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 2ole_1_A DATA FIRST_RESID 39 DATA SEQUENCE SRKTYTLTDY LKNTYRLKLY SLRWISDHEY LYKQENNILV FNAEYGNSSV DATA SEQUENCE FLENSTFDEF GHSINDYSIS PDGQFILLEY NYVKQWRHSY TASYDIYDLN DATA SEQUENCE KRQLITEERI PNNTQWVTWS PVGHKLAYVW NNDIYVKIEP NLPSYRITWT DATA SEQUENCE GKEDIIYNGI TDWVYEEEVF SAYSALWWSP NGTFLAYAQF NDTEVPLIEY DATA SEQUENCE SFYSDESLQY PKTVRVPYPK AGAVNPTVKF FVVNTDSLSS VTNATSIQIT DATA SEQUENCE APASMLIGDH YLCDVTWATQ ERISLQWLRR IQNYSVMDIc DYDESSGRWN DATA SEQUENCE cLVARQHIEM STTGWVGRFR PSEPHFTLDG NSFYKIISNE EGYRHIcYFQ DATA SEQUENCE IDKKDcTFIT KGTWEVIGIE ALTSDYLYYI SNEYKGMPGG RNLYKIQLSD DATA SEQUENCE YTKVTCLSCE LNPERcQYYS VSFSKEAKYY QLRcSGPGLP LYTLHSSVND DATA SEQUENCE KGLRVLEDNS ALDKMLQNVQ MPSKKLDFII LNETKFWYQM ILPPHFDKSK DATA SEQUENCE KYPLLLDVYA GPCSQKADTV FRLNWATYLA STENIIVASF DGRGSGYQGD DATA SEQUENCE KIMHAINRRL GTFEVEDQIE AARQFSKMGF VDNKRIAIWG WSYGGYVTSM DATA SEQUENCE VLGSGSGVFK cGIAVAPVSR WEYYDSVYTE RYMGLPTPED NLDHYRNSTV DATA SEQUENCE MSRAENFKQV EYLLIHGTAD DNVHFQQSAQ ISKALVDVGV DFQAMWYTDE DATA SEQUENCE DHGIASSTAH QHIYTHMSHF IKQcFS 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 0.000 174.639 174.600 0.066 0.000 1.055 39 S CA 0.000 58.237 58.200 0.061 0.000 1.107 39 S CB 0.000 63.246 63.200 0.077 0.000 0.593 40 R N 1.482 122.020 120.500 0.062 0.000 3.115 40 R HA -0.140 4.834 4.340 1.057 0.000 0.615 40 R C -0.099 176.240 176.300 0.064 0.000 0.927 40 R CA 1.158 57.298 56.100 0.066 0.000 1.826 40 R CB -0.302 30.042 30.300 0.073 0.000 1.936 40 R HN 0.742 nan 8.270 nan 0.000 0.604 41 K N 0.888 121.333 120.400 0.075 0.000 2.399 41 K HA 0.479 5.434 4.320 1.057 0.000 0.247 41 K C 0.097 176.749 176.600 0.087 0.000 1.036 41 K CA -0.016 56.321 56.287 0.082 0.000 0.977 41 K CB 1.086 33.647 32.500 0.101 0.000 1.272 41 K HN 0.770 nan 8.250 nan 0.000 0.501 42 T N -3.210 111.407 114.554 0.104 0.000 2.883 42 T HA 0.301 5.285 4.350 1.057 0.000 0.284 42 T C -0.844 173.977 174.700 0.201 0.000 1.041 42 T CA -0.747 61.426 62.100 0.122 0.000 1.007 42 T CB 0.541 69.466 68.868 0.094 0.000 1.220 42 T HN 0.467 nan 8.240 nan 0.000 0.552 43 Y N 2.620 122.982 120.300 0.103 0.000 2.504 43 Y HA 0.412 5.595 4.550 1.054 0.000 0.351 43 Y C 0.862 176.915 175.900 0.254 0.000 0.988 43 Y CA -0.419 57.786 58.100 0.176 0.000 1.239 43 Y CB -0.158 38.363 38.460 0.102 0.000 1.128 43 Y HN 0.998 nan 8.280 nan 0.000 0.525 44 T N 2.458 117.019 114.554 0.012 0.000 2.847 44 T HA 0.121 5.105 4.350 1.057 0.000 0.279 44 T C 1.034 175.649 174.700 -0.140 0.000 0.984 44 T CA -0.722 61.436 62.100 0.096 0.000 0.988 44 T CB 1.219 70.103 68.868 0.025 0.000 1.040 44 T HN 0.692 nan 8.240 nan 0.000 0.528 45 L N 1.244 122.189 121.223 -0.462 0.000 2.079 45 L HA -0.012 4.962 4.340 1.057 0.000 0.210 45 L C 2.521 179.223 176.870 -0.280 0.000 1.081 45 L CA 2.168 56.551 54.840 -0.762 0.000 0.752 45 L CB -1.544 39.935 42.059 -0.968 0.000 0.896 45 L HN 0.952 nan 8.230 nan 0.000 0.433 46 T N -0.814 113.612 114.554 -0.213 0.000 2.867 46 T HA -0.121 4.864 4.350 1.057 0.000 0.268 46 T C 1.454 176.057 174.700 -0.162 0.000 1.057 46 T CA 1.239 63.248 62.100 -0.151 0.000 1.136 46 T CB -0.336 68.467 68.868 -0.109 0.000 0.874 46 T HN 0.376 nan 8.240 nan 0.000 0.466 47 D N 0.160 120.426 120.400 -0.224 0.000 2.178 47 D HA -0.064 5.211 4.640 1.057 0.000 0.201 47 D C 1.647 177.829 176.300 -0.197 0.000 0.980 47 D CA 0.818 54.652 54.000 -0.278 0.000 0.842 47 D CB -0.233 40.313 40.800 -0.423 0.000 0.948 47 D HN 0.404 nan 8.370 nan 0.000 0.472 48 Y N 1.382 121.482 120.300 -0.333 0.000 2.153 48 Y HA -0.049 5.131 4.550 1.050 0.000 0.289 48 Y C 2.111 178.000 175.900 -0.019 0.000 1.127 48 Y CA 1.157 59.222 58.100 -0.058 0.000 1.131 48 Y CB -0.562 37.917 38.460 0.032 0.000 0.995 48 Y HN -0.120 nan 8.280 nan 0.000 0.505 49 L N -0.065 120.994 121.223 -0.274 0.000 2.141 49 L HA -0.148 4.826 4.340 1.057 0.000 0.209 49 L C 1.926 178.680 176.870 -0.193 0.000 1.094 49 L CA 1.233 55.871 54.840 -0.337 0.000 0.763 49 L CB -0.449 41.482 42.059 -0.213 0.000 0.908 49 L HN 0.024 nan 8.230 nan 0.000 0.437 50 K N 0.036 120.352 120.400 -0.141 0.000 2.404 50 K HA 0.082 5.036 4.320 1.057 0.000 0.194 50 K C 0.090 176.638 176.600 -0.086 0.000 1.023 50 K CA -0.033 56.193 56.287 -0.102 0.000 1.094 50 K CB -0.100 32.343 32.500 -0.095 0.000 0.841 50 K HN 0.168 nan 8.250 nan 0.000 0.523 51 N N 0.502 119.160 118.700 -0.070 0.000 2.735 51 N HA -0.177 5.197 4.740 1.057 0.000 0.248 51 N C 0.570 176.059 175.510 -0.035 0.000 1.083 51 N CA 0.916 53.961 53.050 -0.008 0.000 0.703 51 N CB -1.161 37.318 38.487 -0.012 0.000 1.005 51 N HN 0.372 nan 8.380 nan 0.000 0.550 52 T N -4.119 110.356 114.554 -0.133 0.000 2.833 52 T HA -0.179 4.805 4.350 1.057 0.000 0.269 52 T C 0.501 174.979 174.700 -0.370 0.000 1.054 52 T CA 1.243 63.156 62.100 -0.313 0.000 1.135 52 T CB -0.165 68.412 68.868 -0.486 0.000 0.869 52 T HN 0.335 nan 8.240 nan 0.000 0.466 53 Y N 1.622 122.018 120.300 0.160 0.000 2.478 53 Y HA 0.643 5.826 4.550 1.055 0.000 0.329 53 Y C 0.371 176.385 175.900 0.191 0.000 0.967 53 Y CA -1.689 56.529 58.100 0.197 0.000 1.255 53 Y CB 0.790 39.424 38.460 0.291 0.000 1.103 53 Y HN 0.002 nan 8.280 nan 0.000 0.497 54 R N 2.711 123.359 120.500 0.247 0.000 2.407 54 R HA 0.620 5.594 4.340 1.057 0.000 0.303 54 R C -1.250 175.164 176.300 0.190 0.000 0.981 54 R CA -0.548 55.666 56.100 0.190 0.000 0.905 54 R CB 0.771 31.140 30.300 0.115 0.000 1.099 54 R HN 0.700 nan 8.270 nan 0.000 0.459 55 L N 4.202 125.537 121.223 0.187 0.000 2.290 55 L HA 0.323 5.298 4.340 1.057 0.000 0.284 55 L C 0.352 177.313 176.870 0.151 0.000 1.078 55 L CA -0.171 54.780 54.840 0.185 0.000 0.815 55 L CB 1.078 43.264 42.059 0.210 0.000 1.162 55 L HN 0.509 nan 8.230 nan 0.000 0.435 56 K N 3.176 123.662 120.400 0.144 0.000 2.154 56 K HA 0.597 5.551 4.320 1.057 0.000 0.264 56 K C -0.575 176.099 176.600 0.124 0.000 1.008 56 K CA -0.286 56.069 56.287 0.113 0.000 0.937 56 K CB 0.949 33.514 32.500 0.107 0.000 1.002 56 K HN 0.412 nan 8.250 nan 0.000 0.469 57 L N 1.215 122.445 121.223 0.012 0.000 2.183 57 L HA 0.485 5.459 4.340 1.057 0.000 0.253 57 L C -1.073 175.580 176.870 -0.362 0.000 1.048 57 L CA -1.045 53.688 54.840 -0.179 0.000 0.890 57 L CB 0.943 42.968 42.059 -0.057 0.000 1.476 57 L HN 0.565 nan 8.230 nan 0.000 0.455 58 Y N 0.178 119.992 120.300 -0.810 0.000 2.542 58 Y HA 0.304 5.487 4.550 1.056 0.000 0.316 58 Y C -0.781 174.930 175.900 -0.316 0.000 1.107 58 Y CA -0.566 57.238 58.100 -0.493 0.000 1.233 58 Y CB 1.044 39.060 38.460 -0.740 0.000 1.111 58 Y HN 0.365 nan 8.280 nan 0.000 0.613 59 S N 4.869 120.484 115.700 -0.141 0.000 2.422 59 S HA 0.498 5.602 4.470 1.057 0.000 0.283 59 S C -0.466 174.089 174.600 -0.075 0.000 1.163 59 S CA -0.402 57.756 58.200 -0.070 0.000 1.054 59 S CB -0.312 62.855 63.200 -0.055 0.000 0.967 59 S HN 0.518 nan 8.310 nan 0.000 0.499 60 L N 1.563 122.720 121.223 -0.109 0.000 2.313 60 L HA 0.781 5.755 4.340 1.057 0.000 0.268 60 L C -0.087 176.676 176.870 -0.178 0.000 1.010 60 L CA -0.845 53.878 54.840 -0.195 0.000 0.814 60 L CB 0.853 42.529 42.059 -0.639 0.000 1.304 60 L HN 0.330 nan 8.230 nan 0.000 0.441 61 R N 0.821 121.242 120.500 -0.131 0.000 2.473 61 R HA 0.313 5.287 4.340 1.057 0.000 0.303 61 R C -1.870 174.433 176.300 0.005 0.000 1.002 61 R CA -0.440 55.634 56.100 -0.044 0.000 0.884 61 R CB 0.949 31.248 30.300 -0.002 0.000 1.173 61 R HN 0.839 nan 8.270 nan 0.000 0.464 62 W N 5.480 126.863 121.300 0.138 0.000 2.251 62 W HA 0.118 5.412 4.660 1.056 0.000 0.327 62 W C 1.689 178.275 176.519 0.111 0.000 1.361 62 W CA -0.330 57.111 57.345 0.161 0.000 1.234 62 W CB 0.497 30.046 29.460 0.149 0.000 1.212 62 W HN 0.575 nan 8.180 nan 0.000 0.557 63 I N 0.292 121.066 120.570 0.340 0.000 4.154 63 I HA 0.333 5.137 4.170 1.057 0.000 0.334 63 I C 0.609 176.851 176.117 0.208 0.000 1.371 63 I CA -0.116 61.299 61.300 0.191 0.000 1.110 63 I CB -0.203 37.839 38.000 0.070 0.000 1.085 63 I HN 0.300 nan 8.210 nan 0.000 0.398 64 S N -0.451 115.426 115.700 0.295 0.000 2.815 64 S HA 0.274 5.379 4.470 1.057 0.000 0.296 64 S C -0.320 174.404 174.600 0.207 0.000 1.224 64 S CA -0.191 58.164 58.200 0.258 0.000 0.938 64 S CB 1.405 64.795 63.200 0.317 0.000 1.285 64 S HN 0.047 nan 8.310 nan 0.000 0.549 65 D N -0.702 119.738 120.400 0.065 0.000 2.349 65 D HA 0.309 5.583 4.640 1.057 0.000 0.214 65 D C 0.646 176.657 176.300 -0.481 0.000 1.063 65 D CA 0.626 54.439 54.000 -0.312 0.000 0.847 65 D CB 0.024 40.542 40.800 -0.471 0.000 0.933 65 D HN 0.602 nan 8.370 nan 0.000 0.513 66 H N -1.841 117.408 119.070 0.298 0.000 3.622 66 H HA 0.450 5.640 4.556 1.057 0.000 0.259 66 H C -0.197 175.267 175.328 0.227 0.000 1.145 66 H CA -0.257 55.953 56.048 0.269 0.000 1.178 66 H CB 0.617 30.495 29.762 0.193 0.000 1.542 66 H HN -0.026 nan 8.280 nan 0.000 0.586 67 E N 0.420 120.867 120.200 0.411 0.000 2.416 67 E HA 0.465 5.449 4.350 1.057 0.000 0.273 67 E C -1.478 175.299 176.600 0.296 0.000 0.935 67 E CA -1.348 55.190 56.400 0.230 0.000 0.784 67 E CB 2.808 32.583 29.700 0.125 0.000 1.301 67 E HN 0.205 nan 8.360 nan 0.000 0.454 68 Y N -1.175 119.131 120.300 0.009 0.000 2.588 68 Y HA 0.648 5.833 4.550 1.058 0.000 0.343 68 Y C -1.676 174.198 175.900 -0.043 0.000 1.065 68 Y CA -1.396 56.603 58.100 -0.168 0.000 1.038 68 Y CB 0.782 38.809 38.460 -0.722 0.000 1.297 68 Y HN 0.356 nan 8.280 nan 0.000 0.467 69 L N 2.635 123.954 121.223 0.161 0.000 2.343 69 L HA 0.436 5.410 4.340 1.057 0.000 0.275 69 L C -1.324 175.718 176.870 0.287 0.000 1.056 69 L CA -1.030 53.874 54.840 0.107 0.000 0.804 69 L CB 1.395 43.384 42.059 -0.117 0.000 1.203 69 L HN 0.761 nan 8.230 nan 0.000 0.440 70 Y N 2.500 122.878 120.300 0.130 0.000 2.373 70 Y HA 0.301 5.485 4.550 1.057 0.000 0.327 70 Y C -0.429 175.477 175.900 0.010 0.000 1.036 70 Y CA -1.253 56.866 58.100 0.031 0.000 1.265 70 Y CB 0.859 39.370 38.460 0.084 0.000 1.108 70 Y HN 0.418 nan 8.280 nan 0.000 0.471 71 K N 4.408 124.588 120.400 -0.367 0.000 2.436 71 K HA 0.029 4.983 4.320 1.057 0.000 0.282 71 K C -0.065 176.230 176.600 -0.508 0.000 1.044 71 K CA 0.491 56.612 56.287 -0.277 0.000 1.028 71 K CB 0.467 32.877 32.500 -0.150 0.000 0.919 71 K HN 0.691 nan 8.250 nan 0.000 0.474 72 Q N 3.173 122.816 119.800 -0.261 0.000 2.628 72 Q HA 0.009 4.984 4.340 1.057 0.000 0.397 72 Q C -0.311 175.626 176.000 -0.104 0.000 0.916 72 Q CA 0.025 55.692 55.803 -0.226 0.000 1.071 72 Q CB 0.238 28.921 28.738 -0.091 0.000 1.367 72 Q HN 0.735 nan 8.270 nan 0.000 0.404 73 E N -0.600 119.535 120.200 -0.108 0.000 4.538 73 E HA -0.449 4.535 4.350 1.057 0.000 0.191 73 E C 0.641 177.213 176.600 -0.047 0.000 1.340 73 E CA 2.354 58.713 56.400 -0.069 0.000 2.244 73 E CB -0.574 29.091 29.700 -0.059 0.000 1.902 73 E HN 0.493 nan 8.360 nan 0.000 0.316 74 N N 0.840 119.519 118.700 -0.034 0.000 2.187 74 N HA -0.008 5.366 4.740 1.057 0.000 0.190 74 N C 0.246 175.753 175.510 -0.004 0.000 1.052 74 N CA 1.632 54.668 53.050 -0.023 0.000 0.863 74 N CB -0.023 38.454 38.487 -0.017 0.000 1.041 74 N HN 0.334 nan 8.380 nan 0.000 0.447 75 N N -0.118 118.590 118.700 0.014 0.000 2.443 75 N HA 0.331 5.706 4.740 1.057 0.000 0.293 75 N C -1.088 174.475 175.510 0.088 0.000 1.159 75 N CA -0.509 52.574 53.050 0.055 0.000 0.904 75 N CB 1.615 40.127 38.487 0.042 0.000 1.214 75 N HN 0.115 nan 8.380 nan 0.000 0.513 76 I N 1.102 121.771 120.570 0.165 0.000 2.312 76 I HA 0.302 5.106 4.170 1.057 0.000 0.290 76 I C -0.987 175.234 176.117 0.173 0.000 1.008 76 I CA -0.748 60.656 61.300 0.174 0.000 1.226 76 I CB 0.331 38.491 38.000 0.266 0.000 1.371 76 I HN 0.332 nan 8.210 nan 0.000 0.468 77 L N 7.301 128.615 121.223 0.151 0.000 2.332 77 L HA 0.603 5.577 4.340 1.057 0.000 0.269 77 L C -0.501 176.430 176.870 0.102 0.000 1.016 77 L CA -0.999 53.912 54.840 0.118 0.000 0.809 77 L CB 1.832 43.938 42.059 0.078 0.000 1.280 77 L HN 0.296 nan 8.230 nan 0.000 0.447 78 V N 1.354 121.253 119.914 -0.025 0.000 2.448 78 V HA 0.519 5.273 4.120 1.057 0.000 0.295 78 V C -1.054 174.873 176.094 -0.278 0.000 1.025 78 V CA -0.221 62.043 62.300 -0.060 0.000 0.859 78 V CB 1.483 33.318 31.823 0.022 0.000 0.988 78 V HN 0.448 nan 8.190 nan 0.000 0.431 79 F N 4.904 124.586 119.950 -0.446 0.000 2.458 79 F HA 0.513 5.674 4.527 1.057 0.000 0.330 79 F C 0.547 176.047 175.800 -0.500 0.000 1.082 79 F CA -0.563 57.077 58.000 -0.600 0.000 0.995 79 F CB 1.647 39.912 39.000 -1.224 0.000 1.170 79 F HN 0.509 nan 8.300 nan 0.000 0.478 80 N N 1.886 120.511 118.700 -0.125 0.000 2.462 80 N HA 0.246 5.621 4.740 1.057 0.000 0.242 80 N C 0.536 175.989 175.510 -0.095 0.000 1.010 80 N CA 0.113 53.129 53.050 -0.055 0.000 0.939 80 N CB 1.624 40.133 38.487 0.037 0.000 1.127 80 N HN 0.801 nan 8.380 nan 0.000 0.509 81 A N 3.811 126.535 122.820 -0.160 0.000 1.917 81 A HA -0.233 4.721 4.320 1.057 0.000 0.219 81 A C 1.924 179.276 177.584 -0.387 0.000 1.182 81 A CA 1.894 53.759 52.037 -0.288 0.000 0.633 81 A CB -0.517 18.117 19.000 -0.611 0.000 0.819 81 A HN 0.813 nan 8.150 nan 0.000 0.448 82 E N -1.106 118.843 120.200 -0.418 0.000 2.038 82 E HA -0.211 4.773 4.350 1.057 0.000 0.195 82 E C 1.499 177.811 176.600 -0.480 0.000 1.000 82 E CA 2.140 58.283 56.400 -0.428 0.000 0.803 82 E CB -0.373 28.954 29.700 -0.621 0.000 0.750 82 E HN 0.778 nan 8.360 nan 0.000 0.448 83 Y N -2.515 117.793 120.300 0.015 0.000 2.498 83 Y HA 0.360 5.544 4.550 1.057 0.000 0.259 83 Y C 1.620 177.530 175.900 0.016 0.000 1.086 83 Y CA -0.017 58.092 58.100 0.016 0.000 1.287 83 Y CB 1.236 39.704 38.460 0.013 0.000 1.146 83 Y HN 0.235 nan 8.280 nan 0.000 0.523 84 G N 0.941 109.820 108.800 0.132 0.000 2.175 84 G HA2 -0.295 4.299 3.960 1.057 0.000 0.244 84 G HA3 -0.295 4.299 3.960 1.057 0.000 0.244 84 G C -0.180 174.826 174.900 0.176 0.000 0.982 84 G CA 0.031 45.229 45.100 0.164 0.000 0.641 84 G HN 0.411 nan 8.290 nan 0.000 0.527 85 N N 1.005 119.764 118.700 0.097 0.000 2.518 85 N HA 0.491 5.865 4.740 1.057 0.000 0.266 85 N C 0.290 175.675 175.510 -0.208 0.000 1.196 85 N CA 0.729 53.767 53.050 -0.020 0.000 0.947 85 N CB 1.497 39.984 38.487 -0.000 0.000 1.098 85 N HN 0.857 nan 8.380 nan 0.000 0.450 86 S N 0.773 116.242 115.700 -0.384 0.000 2.806 86 S HA 0.812 5.916 4.470 1.057 0.000 0.315 86 S C -0.585 173.812 174.600 -0.339 0.000 1.127 86 S CA -0.761 57.042 58.200 -0.661 0.000 0.918 86 S CB 1.389 63.803 63.200 -1.310 0.000 1.240 86 S HN 0.639 nan 8.310 nan 0.000 0.552 87 S N -0.387 115.137 115.700 -0.293 0.000 2.537 87 S HA 0.435 5.539 4.470 1.057 0.000 0.271 87 S C -1.285 173.265 174.600 -0.084 0.000 1.148 87 S CA -0.693 57.422 58.200 -0.140 0.000 0.868 87 S CB 1.610 64.759 63.200 -0.085 0.000 1.115 87 S HN 0.726 nan 8.310 nan 0.000 0.461 88 V N 3.502 123.387 119.914 -0.049 0.000 2.479 88 V HA 0.162 4.916 4.120 1.057 0.000 0.281 88 V C 0.482 176.597 176.094 0.036 0.000 1.031 88 V CA 0.458 62.757 62.300 -0.000 0.000 1.038 88 V CB 0.360 32.170 31.823 -0.020 0.000 0.981 88 V HN 0.929 nan 8.190 nan 0.000 0.478 89 F N 6.350 126.281 119.950 -0.032 0.000 2.262 89 F HA 0.348 5.509 4.527 1.058 0.000 0.292 89 F C 0.422 176.227 175.800 0.009 0.000 1.081 89 F CA 0.616 58.608 58.000 -0.014 0.000 1.355 89 F CB 0.556 39.555 39.000 -0.002 0.000 1.069 89 F HN 0.363 nan 8.300 nan 0.000 0.506 90 L N 0.798 122.135 121.223 0.191 0.000 2.470 90 L HA 0.374 5.349 4.340 1.057 0.000 0.268 90 L C -0.941 175.965 176.870 0.059 0.000 0.964 90 L CA -0.581 54.322 54.840 0.105 0.000 0.839 90 L CB 1.479 43.741 42.059 0.338 0.000 1.276 90 L HN -0.172 nan 8.230 nan 0.000 0.403 91 E N 1.928 122.101 120.200 -0.045 0.000 2.383 91 E HA 0.144 5.128 4.350 1.057 0.000 0.264 91 E C 0.898 177.464 176.600 -0.057 0.000 1.050 91 E CA 0.658 57.024 56.400 -0.057 0.000 0.896 91 E CB 0.819 30.459 29.700 -0.100 0.000 0.982 91 E HN 0.691 nan 8.360 nan 0.000 0.424 92 N N 1.066 119.744 118.700 -0.036 0.000 2.069 92 N HA -0.233 5.141 4.740 1.057 0.000 0.191 92 N C 1.276 176.751 175.510 -0.059 0.000 1.031 92 N CA 1.280 54.309 53.050 -0.034 0.000 0.852 92 N CB -0.258 38.214 38.487 -0.026 0.000 1.018 92 N HN 0.399 nan 8.380 nan 0.000 0.423 93 S N 0.248 115.901 115.700 -0.080 0.000 2.507 93 S HA -0.053 5.052 4.470 1.057 0.000 0.235 93 S C 1.738 176.232 174.600 -0.177 0.000 0.988 93 S CA 1.024 59.167 58.200 -0.096 0.000 0.944 93 S CB -0.677 62.474 63.200 -0.081 0.000 0.762 93 S HN 0.282 nan 8.310 nan 0.000 0.526 94 T N 1.482 115.860 114.554 -0.294 0.000 2.778 94 T HA -0.046 4.938 4.350 1.057 0.000 0.269 94 T C 0.295 174.495 174.700 -0.834 0.000 1.050 94 T CA 1.246 62.974 62.100 -0.620 0.000 1.137 94 T CB -0.447 67.860 68.868 -0.934 0.000 0.860 94 T HN 0.587 nan 8.240 nan 0.000 0.468 95 F N 0.757 120.580 119.950 -0.212 0.000 2.855 95 F HA 0.344 5.506 4.527 1.059 0.000 0.317 95 F C 1.148 176.908 175.800 -0.066 0.000 1.169 95 F CA -1.270 56.611 58.000 -0.198 0.000 1.299 95 F CB 0.131 38.929 39.000 -0.336 0.000 0.962 95 F HN -0.045 nan 8.300 nan 0.000 0.506 96 D N 0.879 121.307 120.400 0.047 0.000 2.078 96 D HA -0.165 5.109 4.640 1.057 0.000 0.193 96 D C 0.930 177.269 176.300 0.066 0.000 0.990 96 D CA 1.440 55.465 54.000 0.043 0.000 0.827 96 D CB -0.053 40.745 40.800 -0.004 0.000 0.975 96 D HN 0.411 nan 8.370 nan 0.000 0.451 97 E N -0.109 120.127 120.200 0.060 0.000 2.528 97 E HA -0.016 4.968 4.350 1.057 0.000 0.237 97 E C 0.550 177.223 176.600 0.123 0.000 1.408 97 E CA -0.366 56.065 56.400 0.052 0.000 1.571 97 E CB -0.196 29.523 29.700 0.030 0.000 1.395 97 E HN 0.159 nan 8.360 nan 0.000 0.438 98 F N 0.256 120.186 119.950 -0.034 0.000 2.473 98 F HA 0.189 5.349 4.527 1.056 0.000 0.294 98 F C 1.819 177.503 175.800 -0.194 0.000 1.103 98 F CA 1.107 59.076 58.000 -0.051 0.000 1.442 98 F CB 0.246 39.229 39.000 -0.029 0.000 1.097 98 F HN 0.227 nan 8.300 nan 0.000 0.547 99 G N -0.474 108.167 108.800 -0.265 0.000 2.234 99 G HA2 -0.253 4.341 3.960 1.057 0.000 0.260 99 G HA3 -0.253 4.341 3.960 1.057 0.000 0.260 99 G C 0.262 174.742 174.900 -0.700 0.000 0.987 99 G CA 0.472 45.269 45.100 -0.505 0.000 0.625 99 G HN 0.526 nan 8.290 nan 0.000 0.532 100 H N 0.036 118.841 119.070 -0.442 0.000 2.622 100 H HA 0.641 5.832 4.556 1.057 0.000 0.363 100 H C -0.283 174.976 175.328 -0.115 0.000 1.151 100 H CA 0.020 55.849 56.048 -0.363 0.000 1.184 100 H CB 1.739 31.009 29.762 -0.820 0.000 1.643 100 H HN 0.176 nan 8.280 nan 0.000 0.531 101 S N 2.544 118.296 115.700 0.086 0.000 2.499 101 S HA 0.288 5.392 4.470 1.057 0.000 0.275 101 S C 0.219 174.870 174.600 0.086 0.000 1.257 101 S CA -0.705 57.532 58.200 0.062 0.000 1.050 101 S CB -0.405 62.817 63.200 0.037 0.000 0.937 101 S HN 0.387 nan 8.310 nan 0.000 0.490 102 I N 5.652 126.237 120.570 0.025 0.000 2.365 102 I HA 0.248 5.052 4.170 1.057 0.000 0.291 102 I C 1.360 177.439 176.117 -0.064 0.000 1.004 102 I CA -0.502 60.786 61.300 -0.020 0.000 1.311 102 I CB 1.037 38.922 38.000 -0.192 0.000 1.401 102 I HN 0.781 nan 8.210 nan 0.000 0.491 103 N N 3.637 122.308 118.700 -0.048 0.000 2.250 103 N HA 0.075 5.449 4.740 1.057 0.000 0.190 103 N C -0.184 175.282 175.510 -0.074 0.000 1.116 103 N CA 0.136 53.126 53.050 -0.101 0.000 0.881 103 N CB 0.922 39.299 38.487 -0.184 0.000 1.006 103 N HN 0.601 nan 8.380 nan 0.000 0.491 104 D N -0.687 119.710 120.400 -0.005 0.000 2.694 104 D HA 0.254 5.528 4.640 1.057 0.000 0.260 104 D C -1.796 174.676 176.300 0.287 0.000 1.250 104 D CA -0.334 53.754 54.000 0.146 0.000 0.763 104 D CB 1.439 42.313 40.800 0.122 0.000 1.311 104 D HN 0.054 nan 8.370 nan 0.000 0.420 105 Y N -1.166 119.161 120.300 0.045 0.000 2.552 105 Y HA 0.703 5.886 4.550 1.055 0.000 0.337 105 Y C -1.363 174.619 175.900 0.137 0.000 1.094 105 Y CA -1.480 56.669 58.100 0.081 0.000 1.028 105 Y CB 1.100 39.577 38.460 0.028 0.000 1.321 105 Y HN 0.110 nan 8.280 nan 0.000 0.456 106 S N 3.093 118.957 115.700 0.273 0.000 2.659 106 S HA 0.710 5.814 4.470 1.057 0.000 0.312 106 S C -1.061 173.754 174.600 0.359 0.000 1.114 106 S CA -0.562 57.795 58.200 0.262 0.000 1.063 106 S CB 0.084 63.491 63.200 0.344 0.000 0.996 106 S HN 0.623 nan 8.310 nan 0.000 0.478 107 I N 4.615 125.242 120.570 0.094 0.000 2.342 107 I HA 0.223 5.027 4.170 1.057 0.000 0.291 107 I C 0.898 176.837 176.117 -0.297 0.000 1.010 107 I CA -0.405 60.885 61.300 -0.016 0.000 1.308 107 I CB 1.538 39.448 38.000 -0.150 0.000 1.400 107 I HN 0.745 nan 8.210 nan 0.000 0.488 108 S N 6.374 121.616 115.700 -0.762 0.000 2.563 108 S HA 0.083 5.187 4.470 1.057 0.000 0.284 108 S C -1.734 172.542 174.600 -0.540 0.000 1.331 108 S CA -0.879 56.474 58.200 -1.411 0.000 1.047 108 S CB 0.508 62.767 63.200 -1.568 0.000 0.859 108 S HN 0.433 nan 8.310 nan 0.000 0.514 109 P HA -0.138 nan 4.420 nan 0.000 0.217 109 P C 0.883 178.125 177.300 -0.097 0.000 1.148 109 P CA 1.356 64.368 63.100 -0.146 0.000 0.834 109 P CB -0.019 31.624 31.700 -0.095 0.000 0.783 110 D N -1.616 118.718 120.400 -0.111 0.000 2.123 110 D HA -0.098 5.176 4.640 1.057 0.000 0.196 110 D C 1.845 178.148 176.300 0.005 0.000 0.992 110 D CA 2.054 56.044 54.000 -0.017 0.000 0.833 110 D CB -0.729 40.117 40.800 0.076 0.000 0.954 110 D HN 0.210 nan 8.370 nan 0.000 0.455 111 G N -0.157 108.635 108.800 -0.014 0.000 2.175 111 G HA2 -0.339 4.255 3.960 1.057 0.000 0.244 111 G HA3 -0.339 4.255 3.960 1.057 0.000 0.244 111 G C 1.010 175.939 174.900 0.048 0.000 0.982 111 G CA 0.577 45.740 45.100 0.106 0.000 0.641 111 G HN 0.407 nan 8.290 nan 0.000 0.527 112 Q N -1.202 118.558 119.800 -0.067 0.000 2.269 112 Q HA 0.349 5.323 4.340 1.057 0.000 0.201 112 Q C 0.408 175.988 176.000 -0.699 0.000 0.946 112 Q CA 0.759 56.358 55.803 -0.341 0.000 0.877 112 Q CB 0.325 28.875 28.738 -0.313 0.000 0.963 112 Q HN 0.579 nan 8.270 nan 0.000 0.472 113 F N -0.753 119.140 119.950 -0.094 0.000 2.629 113 F HA 0.547 5.708 4.527 1.057 0.000 0.316 113 F C -0.636 175.231 175.800 0.111 0.000 1.081 113 F CA -1.131 56.878 58.000 0.015 0.000 0.954 113 F CB 1.763 40.779 39.000 0.026 0.000 1.337 113 F HN -0.222 nan 8.300 nan 0.000 0.474 114 I N 2.085 122.978 120.570 0.539 0.000 2.533 114 I HA 0.433 5.237 4.170 1.057 0.000 0.290 114 I C -1.770 174.691 176.117 0.573 0.000 1.056 114 I CA -1.005 60.604 61.300 0.514 0.000 1.057 114 I CB 1.776 40.078 38.000 0.503 0.000 1.240 114 I HN 0.446 nan 8.210 nan 0.000 0.423 115 L N 8.023 129.598 121.223 0.586 0.000 2.292 115 L HA 0.518 5.492 4.340 1.057 0.000 0.284 115 L C -1.204 175.850 176.870 0.307 0.000 1.065 115 L CA -0.042 55.050 54.840 0.420 0.000 0.806 115 L CB 1.064 43.313 42.059 0.316 0.000 1.175 115 L HN 0.418 nan 8.230 nan 0.000 0.431 116 L N 4.867 126.213 121.223 0.206 0.000 2.305 116 L HA 0.508 5.483 4.340 1.057 0.000 0.284 116 L C -0.185 176.760 176.870 0.125 0.000 1.013 116 L CA -0.477 54.400 54.840 0.062 0.000 0.819 116 L CB 1.605 43.515 42.059 -0.247 0.000 1.227 116 L HN 0.608 nan 8.230 nan 0.000 0.417 117 E N 3.712 123.947 120.200 0.058 0.000 2.156 117 E HA 0.471 5.456 4.350 1.057 0.000 0.279 117 E C -1.665 174.933 176.600 -0.004 0.000 0.965 117 E CA -0.517 55.782 56.400 -0.168 0.000 0.789 117 E CB 1.195 30.882 29.700 -0.021 0.000 1.098 117 E HN 0.440 nan 8.360 nan 0.000 0.397 118 Y N 1.644 121.781 120.300 -0.271 0.000 2.670 118 Y HA 0.440 5.624 4.550 1.058 0.000 0.334 118 Y C -0.273 175.534 175.900 -0.155 0.000 1.185 118 Y CA -1.607 56.407 58.100 -0.144 0.000 1.053 118 Y CB 0.655 39.064 38.460 -0.085 0.000 1.298 118 Y HN 0.511 nan 8.280 nan 0.000 0.459 119 N N -0.220 118.458 118.700 -0.036 0.000 2.780 119 N HA -0.286 5.088 4.740 1.057 0.000 0.248 119 N C -1.040 174.433 175.510 -0.061 0.000 1.102 119 N CA 0.948 53.937 53.050 -0.101 0.000 0.697 119 N CB -1.614 36.687 38.487 -0.309 0.000 1.028 119 N HN 0.891 nan 8.380 nan 0.000 0.554 120 Y N 0.441 120.669 120.300 -0.120 0.000 2.677 120 Y HA 0.262 5.442 4.550 1.049 0.000 0.335 120 Y C -0.016 175.848 175.900 -0.060 0.000 1.162 120 Y CA 0.072 58.106 58.100 -0.111 0.000 1.483 120 Y CB 0.587 38.932 38.460 -0.191 0.000 1.209 120 Y HN -0.010 nan 8.280 nan 0.000 0.528 121 V N 8.340 127.979 119.914 -0.458 0.000 2.380 121 V HA 0.180 4.934 4.120 1.057 0.000 0.286 121 V C -0.150 175.604 176.094 -0.567 0.000 1.015 121 V CA -1.395 60.673 62.300 -0.388 0.000 0.834 121 V CB 1.181 32.895 31.823 -0.181 0.000 1.009 121 V HN 0.737 nan 8.190 nan 0.000 0.428 122 K N 3.833 123.872 120.400 -0.602 0.000 2.485 122 K HA 0.100 5.054 4.320 1.057 0.000 0.277 122 K C 0.436 176.880 176.600 -0.260 0.000 0.990 122 K CA 0.491 56.555 56.287 -0.372 0.000 0.994 122 K CB 0.951 33.418 32.500 -0.056 0.000 0.906 122 K HN 0.824 nan 8.250 nan 0.000 0.488 123 Q N 2.946 122.581 119.800 -0.276 0.000 2.362 123 Q HA 0.179 5.153 4.340 1.057 0.000 0.190 123 Q C -0.096 175.682 176.000 -0.371 0.000 0.763 123 Q CA -0.421 55.035 55.803 -0.578 0.000 0.681 123 Q CB 0.155 28.378 28.738 -0.857 0.000 2.020 123 Q HN 0.734 nan 8.270 nan 0.000 0.483 124 W N 0.210 121.510 121.300 0.000 0.000 1.941 124 W HA 0.406 5.692 4.660 1.042 0.000 0.629 124 W C 1.701 178.209 176.519 -0.018 0.000 1.517 124 W CA -0.718 56.657 57.345 0.050 0.000 1.502 124 W CB -0.138 29.332 29.460 0.018 0.000 3.266 124 W HN 0.264 nan 8.180 nan 0.000 0.765 125 R N -0.513 120.079 120.500 0.153 0.000 2.120 125 R HA -0.156 4.818 4.340 1.057 0.000 0.234 125 R C 1.309 177.428 176.300 -0.302 0.000 1.123 125 R CA 2.139 58.148 56.100 -0.151 0.000 0.975 125 R CB -0.337 29.725 30.300 -0.397 0.000 0.866 125 R HN 0.592 nan 8.270 nan 0.000 0.446 126 H N -1.746 117.406 119.070 0.137 0.000 3.091 126 H HA 0.185 5.396 4.556 1.091 0.000 0.249 126 H C 0.436 175.859 175.328 0.159 0.000 0.985 126 H CA 0.176 56.325 56.048 0.168 0.000 1.177 126 H CB 0.586 30.422 29.762 0.124 0.000 1.456 126 H HN 0.120 nan 8.280 nan 0.000 0.467 127 S N 0.959 116.655 115.700 -0.006 0.000 2.593 127 S HA 0.368 5.472 4.470 1.057 0.000 0.269 127 S C -0.485 173.990 174.600 -0.209 0.000 1.334 127 S CA -0.448 57.456 58.200 -0.494 0.000 1.015 127 S CB 0.684 62.995 63.200 -1.481 0.000 0.912 127 S HN 0.466 nan 8.310 nan 0.000 0.541 128 Y N -2.616 117.520 120.300 -0.274 0.000 2.765 128 Y HA 0.602 5.781 4.550 1.050 0.000 0.350 128 Y C -0.962 174.917 175.900 -0.035 0.000 1.196 128 Y CA -0.901 57.051 58.100 -0.247 0.000 1.119 128 Y CB 0.411 38.654 38.460 -0.361 0.000 1.368 128 Y HN 0.901 nan 8.280 nan 0.000 0.463 129 T N 0.054 114.679 114.554 0.119 0.000 2.885 129 T HA 1.014 5.998 4.350 1.057 0.000 0.285 129 T C -0.437 174.377 174.700 0.189 0.000 1.019 129 T CA -0.034 62.155 62.100 0.149 0.000 1.010 129 T CB 1.799 70.703 68.868 0.060 0.000 1.022 129 T HN 1.763 nan 8.240 nan 0.000 0.466 130 A N 1.340 124.272 122.820 0.188 0.000 2.533 130 A HA 0.874 5.828 4.320 1.057 0.000 0.293 130 A C -0.535 176.904 177.584 -0.243 0.000 1.228 130 A CA -0.968 51.041 52.037 -0.047 0.000 0.689 130 A CB 1.220 20.183 19.000 -0.061 0.000 1.303 130 A HN 0.835 nan 8.150 nan 0.000 0.444 131 S N -0.996 114.293 115.700 -0.685 0.000 2.578 131 S HA 0.800 5.904 4.470 1.057 0.000 0.301 131 S C -1.719 172.249 174.600 -1.053 0.000 1.091 131 S CA -0.072 57.619 58.200 -0.847 0.000 1.032 131 S CB 0.792 63.148 63.200 -1.406 0.000 1.064 131 S HN 0.432 nan 8.310 nan 0.000 0.508 132 Y N 0.286 120.387 120.300 -0.331 0.000 2.470 132 Y HA 0.457 5.640 4.550 1.055 0.000 0.341 132 Y C -0.445 175.514 175.900 0.097 0.000 1.021 132 Y CA -0.892 57.166 58.100 -0.070 0.000 1.025 132 Y CB 1.762 40.118 38.460 -0.174 0.000 1.266 132 Y HN 0.492 nan 8.280 nan 0.000 0.448 133 D N 2.929 123.541 120.400 0.353 0.000 2.619 133 D HA 0.549 5.824 4.640 1.057 0.000 0.241 133 D C -0.896 175.532 176.300 0.214 0.000 1.087 133 D CA -0.316 53.858 54.000 0.291 0.000 0.851 133 D CB 2.650 43.700 40.800 0.415 0.000 1.474 133 D HN 0.418 nan 8.370 nan 0.000 0.478 134 I N 1.902 122.597 120.570 0.208 0.000 2.412 134 I HA 0.263 5.067 4.170 1.057 0.000 0.296 134 I C -0.834 175.502 176.117 0.365 0.000 0.987 134 I CA -0.975 60.493 61.300 0.281 0.000 1.180 134 I CB 1.474 39.610 38.000 0.227 0.000 1.340 134 I HN 0.238 nan 8.210 nan 0.000 0.455 135 Y N 5.257 125.730 120.300 0.288 0.000 2.335 135 Y HA 0.303 5.487 4.550 1.057 0.000 0.338 135 Y C -0.294 175.771 175.900 0.276 0.000 0.977 135 Y CA -0.695 57.567 58.100 0.270 0.000 1.114 135 Y CB 1.161 39.824 38.460 0.338 0.000 1.182 135 Y HN 0.482 nan 8.280 nan 0.000 0.463 136 D N 6.160 126.461 120.400 -0.165 0.000 2.316 136 D HA 0.119 5.393 4.640 1.057 0.000 0.245 136 D C 0.442 176.379 176.300 -0.605 0.000 1.171 136 D CA 0.230 54.015 54.000 -0.358 0.000 0.856 136 D CB 1.101 41.777 40.800 -0.207 0.000 1.090 136 D HN 0.865 nan 8.370 nan 0.000 0.476 137 L N 3.603 124.533 121.223 -0.488 0.000 2.418 137 L HA -0.007 4.967 4.340 1.057 0.000 0.218 137 L C 2.069 178.734 176.870 -0.342 0.000 1.125 137 L CA 0.022 54.668 54.840 -0.322 0.000 0.835 137 L CB -0.174 41.774 42.059 -0.186 0.000 0.953 137 L HN 0.336 nan 8.230 nan 0.000 0.454 138 N N 1.722 120.171 118.700 -0.418 0.000 2.120 138 N HA -0.165 5.209 4.740 1.057 0.000 0.188 138 N C 1.279 176.646 175.510 -0.238 0.000 1.024 138 N CA 1.396 54.265 53.050 -0.301 0.000 0.852 138 N CB -0.035 38.270 38.487 -0.302 0.000 1.003 138 N HN 0.518 nan 8.380 nan 0.000 0.424 139 K N 0.328 120.565 120.400 -0.271 0.000 2.537 139 K HA 0.285 5.240 4.320 1.057 0.000 0.206 139 K C -0.357 176.087 176.600 -0.260 0.000 1.041 139 K CA -0.428 55.730 56.287 -0.214 0.000 1.090 139 K CB 0.698 33.104 32.500 -0.157 0.000 0.833 139 K HN -0.254 nan 8.250 nan 0.000 0.493 140 R N 0.391 120.674 120.500 -0.362 0.000 3.460 140 R HA -0.216 4.759 4.340 1.057 0.000 0.254 140 R C -0.668 175.350 176.300 -0.470 0.000 1.028 140 R CA 0.912 56.766 56.100 -0.411 0.000 0.688 140 R CB -2.583 27.645 30.300 -0.119 0.000 1.062 140 R HN 0.561 nan 8.270 nan 0.000 0.463 141 Q N -0.297 119.145 119.800 -0.597 0.000 2.297 141 Q HA 0.684 5.658 4.340 1.057 0.000 0.268 141 Q C -0.665 175.168 176.000 -0.278 0.000 1.045 141 Q CA -0.868 54.757 55.803 -0.296 0.000 0.861 141 Q CB 1.601 30.245 28.738 -0.156 0.000 1.344 141 Q HN 0.289 nan 8.270 nan 0.000 0.452 142 L N 2.598 123.862 121.223 0.068 0.000 2.265 142 L HA 0.494 5.468 4.340 1.057 0.000 0.289 142 L C -0.828 176.131 176.870 0.148 0.000 1.033 142 L CA -0.204 54.783 54.840 0.245 0.000 0.814 142 L CB 0.702 42.961 42.059 0.334 0.000 1.203 142 L HN 0.647 nan 8.230 nan 0.000 0.423 143 I N 3.790 124.450 120.570 0.151 0.000 2.683 143 I HA -0.010 4.794 4.170 1.057 0.000 0.286 143 I C 1.148 177.326 176.117 0.101 0.000 1.175 143 I CA 0.505 61.871 61.300 0.110 0.000 1.429 143 I CB 0.922 38.990 38.000 0.114 0.000 1.371 143 I HN 0.753 nan 8.210 nan 0.000 0.569 144 T N 0.984 115.579 114.554 0.068 0.000 3.010 144 T HA 0.160 5.144 4.350 1.057 0.000 0.257 144 T C 0.316 175.031 174.700 0.024 0.000 1.020 144 T CA -0.459 61.675 62.100 0.057 0.000 0.938 144 T CB 0.032 68.932 68.868 0.053 0.000 1.049 144 T HN 0.678 nan 8.240 nan 0.000 0.522 145 E N 1.342 121.549 120.200 0.012 0.000 2.207 145 E HA 0.407 5.391 4.350 1.057 0.000 0.270 145 E C -0.860 175.719 176.600 -0.035 0.000 0.927 145 E CA -0.933 55.460 56.400 -0.012 0.000 0.799 145 E CB 0.988 30.683 29.700 -0.008 0.000 1.172 145 E HN -0.017 nan 8.360 nan 0.000 0.404 146 E N 1.284 121.449 120.200 -0.057 0.000 2.252 146 E HA -0.188 4.796 4.350 1.057 0.000 0.218 146 E C -0.618 175.913 176.600 -0.115 0.000 1.253 146 E CA 0.621 56.968 56.400 -0.087 0.000 0.705 146 E CB -1.125 28.531 29.700 -0.073 0.000 1.172 146 E HN 0.556 nan 8.360 nan 0.000 0.369 147 R N -0.016 120.410 120.500 -0.122 0.000 2.694 147 R HA 0.275 5.250 4.340 1.057 0.000 0.268 147 R C 1.196 177.327 176.300 -0.282 0.000 1.061 147 R CA -0.383 55.629 56.100 -0.146 0.000 1.133 147 R CB 0.502 30.747 30.300 -0.093 0.000 1.020 147 R HN 0.163 nan 8.270 nan 0.000 0.475 148 I N 4.113 124.475 120.570 -0.346 0.000 2.618 148 I HA 0.013 4.818 4.170 1.057 0.000 0.284 148 I C -1.664 174.130 176.117 -0.539 0.000 1.146 148 I CA -1.549 59.371 61.300 -0.633 0.000 1.425 148 I CB 0.307 37.917 38.000 -0.650 0.000 1.383 148 I HN 0.216 nan 8.210 nan 0.000 0.562 149 P HA 0.003 nan 4.420 nan 0.000 0.270 149 P C -0.751 176.328 177.300 -0.369 0.000 1.227 149 P CA -0.117 62.554 63.100 -0.716 0.000 0.788 149 P CB 0.365 31.097 31.700 -1.613 0.000 0.926 150 N N 2.120 120.697 118.700 -0.205 0.000 2.483 150 N HA 0.082 5.456 4.740 1.057 0.000 0.269 150 N C 0.196 175.762 175.510 0.093 0.000 1.209 150 N CA 0.041 53.035 53.050 -0.093 0.000 0.969 150 N CB -0.156 38.283 38.487 -0.079 0.000 1.173 150 N HN 0.417 nan 8.380 nan 0.000 0.475 151 N N -0.824 117.925 118.700 0.080 0.000 2.780 151 N HA -0.149 5.225 4.740 1.057 0.000 0.248 151 N C -0.861 174.835 175.510 0.309 0.000 1.102 151 N CA 0.659 53.809 53.050 0.166 0.000 0.697 151 N CB -1.648 36.951 38.487 0.187 0.000 1.028 151 N HN 0.467 nan 8.380 nan 0.000 0.554 152 T N 0.676 115.387 114.554 0.263 0.000 2.869 152 T HA 0.175 5.159 4.350 1.057 0.000 0.295 152 T C 1.696 176.544 174.700 0.246 0.000 0.987 152 T CA -0.030 62.241 62.100 0.285 0.000 1.109 152 T CB 1.396 70.325 68.868 0.101 0.000 0.932 152 T HN 0.160 nan 8.240 nan 0.000 0.518 153 Q N 1.688 121.622 119.800 0.223 0.000 2.302 153 Q HA 0.162 5.136 4.340 1.057 0.000 0.202 153 Q C 0.110 176.244 176.000 0.224 0.000 0.936 153 Q CA 0.386 56.326 55.803 0.228 0.000 0.886 153 Q CB 0.822 29.641 28.738 0.135 0.000 0.986 153 Q HN 0.686 nan 8.270 nan 0.000 0.487 154 W N -0.044 121.190 121.300 -0.109 0.000 3.571 154 W HA 0.446 5.741 4.660 1.058 0.000 0.294 154 W C -2.350 174.061 176.519 -0.180 0.000 1.257 154 W CA -0.628 56.611 57.345 -0.177 0.000 1.206 154 W CB 1.160 30.460 29.460 -0.266 0.000 1.325 154 W HN -0.337 nan 8.180 nan 0.000 0.546 155 V N 3.203 122.339 119.914 -1.298 0.000 2.888 155 V HA 0.761 5.515 4.120 1.057 0.000 0.309 155 V C -0.499 174.893 176.094 -1.171 0.000 1.114 155 V CA -0.680 60.997 62.300 -1.037 0.000 0.940 155 V CB 1.632 32.792 31.823 -1.104 0.000 1.021 155 V HN 0.525 nan 8.190 nan 0.000 0.426 156 T N 2.207 116.401 114.554 -0.599 0.000 3.097 156 T HA 0.491 5.475 4.350 1.057 0.000 0.332 156 T C -1.569 173.093 174.700 -0.063 0.000 1.269 156 T CA -0.339 61.594 62.100 -0.279 0.000 1.076 156 T CB 0.835 69.769 68.868 0.110 0.000 1.209 156 T HN 0.546 nan 8.240 nan 0.000 0.474 157 W N 2.905 124.224 121.300 0.030 0.000 2.093 157 W HA 0.478 5.772 4.660 1.057 0.000 0.352 157 W C 1.296 177.653 176.519 -0.271 0.000 1.294 157 W CA -0.503 56.809 57.345 -0.057 0.000 1.290 157 W CB 0.599 30.028 29.460 -0.051 0.000 1.149 157 W HN 0.797 nan 8.180 nan 0.000 0.606 158 S N 0.803 116.223 115.700 -0.467 0.000 2.634 158 S HA 0.231 5.335 4.470 1.057 0.000 0.261 158 S C -1.828 172.500 174.600 -0.454 0.000 1.271 158 S CA -1.017 56.344 58.200 -1.398 0.000 0.985 158 S CB 0.757 62.972 63.200 -1.641 0.000 0.968 158 S HN 0.300 nan 8.310 nan 0.000 0.568 159 P HA 0.153 nan 4.420 nan 0.000 0.229 159 P C -0.284 176.965 177.300 -0.085 0.000 1.160 159 P CA 0.456 63.510 63.100 -0.077 0.000 0.777 159 P CB -0.021 31.683 31.700 0.007 0.000 0.814 160 V N -1.851 117.965 119.914 -0.163 0.000 2.962 160 V HA 0.690 5.444 4.120 1.057 0.000 0.313 160 V C 0.866 176.851 176.094 -0.181 0.000 1.099 160 V CA -0.149 62.074 62.300 -0.129 0.000 0.971 160 V CB 0.940 32.700 31.823 -0.106 0.000 1.028 160 V HN 0.388 nan 8.190 nan 0.000 0.430 161 G N 2.112 110.825 108.800 -0.146 0.000 2.547 161 G HA2 -0.238 4.356 3.960 1.057 0.000 0.271 161 G HA3 -0.238 4.356 3.960 1.057 0.000 0.271 161 G C 0.176 174.973 174.900 -0.172 0.000 1.209 161 G CA 0.705 45.684 45.100 -0.201 0.000 0.959 161 G HN 1.900 nan 8.290 nan 0.000 0.563 162 H N -0.432 118.607 119.070 -0.051 0.000 2.907 162 H HA 0.439 5.629 4.556 1.057 0.000 0.233 162 H C 0.350 175.814 175.328 0.226 0.000 1.285 162 H CA -0.158 55.899 56.048 0.015 0.000 0.981 162 H CB -0.128 29.616 29.762 -0.030 0.000 2.255 162 H HN 0.516 nan 8.280 nan 0.000 0.601 163 K N 1.481 121.931 120.400 0.083 0.000 2.180 163 K HA 0.494 5.448 4.320 1.057 0.000 0.251 163 K C -0.403 176.316 176.600 0.200 0.000 1.014 163 K CA -0.363 55.981 56.287 0.096 0.000 0.913 163 K CB 1.495 33.903 32.500 -0.153 0.000 1.008 163 K HN 0.131 nan 8.250 nan 0.000 0.490 164 L N 0.528 121.890 121.223 0.231 0.000 2.422 164 L HA 0.586 5.560 4.340 1.057 0.000 0.264 164 L C -1.168 175.902 176.870 0.333 0.000 0.984 164 L CA -0.849 54.078 54.840 0.145 0.000 0.819 164 L CB 2.235 44.225 42.059 -0.115 0.000 1.330 164 L HN 0.730 nan 8.230 nan 0.000 0.410 165 A N 2.309 125.303 122.820 0.289 0.000 2.393 165 A HA 0.855 5.809 4.320 1.057 0.000 0.306 165 A C -1.675 175.932 177.584 0.039 0.000 1.050 165 A CA -0.383 51.709 52.037 0.092 0.000 0.724 165 A CB 1.325 20.279 19.000 -0.077 0.000 1.248 165 A HN 0.661 nan 8.150 nan 0.000 0.424 166 Y N -0.784 119.459 120.300 -0.095 0.000 2.625 166 Y HA 0.779 5.963 4.550 1.056 0.000 0.338 166 Y C -1.217 174.677 175.900 -0.009 0.000 1.123 166 Y CA -1.542 56.472 58.100 -0.143 0.000 1.046 166 Y CB 1.153 39.465 38.460 -0.247 0.000 1.299 166 Y HN 0.425 nan 8.280 nan 0.000 0.464 167 V N 1.722 121.756 119.914 0.199 0.000 2.495 167 V HA 0.422 5.176 4.120 1.057 0.000 0.298 167 V C -1.501 174.796 176.094 0.339 0.000 1.031 167 V CA -0.665 61.723 62.300 0.147 0.000 0.871 167 V CB 1.534 33.357 31.823 0.000 0.000 0.988 167 V HN 0.883 nan 8.190 nan 0.000 0.432 168 W N 4.669 126.056 121.300 0.144 0.000 3.211 168 W HA 0.478 5.772 4.660 1.056 0.000 0.335 168 W C 0.152 176.719 176.519 0.081 0.000 1.113 168 W CA -0.737 56.672 57.345 0.107 0.000 1.235 168 W CB 1.269 30.775 29.460 0.076 0.000 1.365 168 W HN 0.785 nan 8.180 nan 0.000 0.476 169 N N 5.482 123.842 118.700 -0.568 0.000 2.740 169 N HA -0.338 5.036 4.740 1.057 0.000 0.248 169 N C 0.183 175.514 175.510 -0.299 0.000 1.062 169 N CA 1.014 53.712 53.050 -0.586 0.000 0.704 169 N CB -1.092 36.849 38.487 -0.909 0.000 0.968 169 N HN 0.824 nan 8.380 nan 0.000 0.547 170 N N -1.897 116.684 118.700 -0.198 0.000 2.778 170 N HA -0.184 5.190 4.740 1.057 0.000 0.249 170 N C -1.234 174.172 175.510 -0.174 0.000 1.069 170 N CA 1.169 54.114 53.050 -0.175 0.000 0.831 170 N CB -0.308 38.035 38.487 -0.239 0.000 1.142 170 N HN 0.455 nan 8.380 nan 0.000 0.573 171 D N 0.377 120.684 120.400 -0.156 0.000 2.340 171 D HA 0.491 5.765 4.640 1.057 0.000 0.240 171 D C 0.197 176.295 176.300 -0.337 0.000 1.001 171 D CA -0.381 53.442 54.000 -0.295 0.000 0.888 171 D CB 1.572 42.139 40.800 -0.388 0.000 1.310 171 D HN 0.021 nan 8.370 nan 0.000 0.474 172 I N 1.642 121.853 120.570 -0.598 0.000 2.396 172 I HA 0.226 5.030 4.170 1.057 0.000 0.292 172 I C -0.685 174.921 176.117 -0.852 0.000 0.999 172 I CA -0.429 60.500 61.300 -0.618 0.000 1.310 172 I CB 0.547 38.108 38.000 -0.733 0.000 1.404 172 I HN 0.150 nan 8.210 nan 0.000 0.496 173 Y N 4.244 124.150 120.300 -0.657 0.000 2.462 173 Y HA 0.594 5.778 4.550 1.056 0.000 0.346 173 Y C -0.294 175.256 175.900 -0.584 0.000 0.976 173 Y CA -0.859 56.800 58.100 -0.735 0.000 1.044 173 Y CB 2.135 39.824 38.460 -1.286 0.000 1.230 173 Y HN 0.126 nan 8.280 nan 0.000 0.455 174 V N 3.050 122.891 119.914 -0.122 0.000 2.604 174 V HA 0.466 5.221 4.120 1.057 0.000 0.305 174 V C -0.772 175.459 176.094 0.229 0.000 1.043 174 V CA -1.336 60.998 62.300 0.056 0.000 0.888 174 V CB 2.005 33.871 31.823 0.071 0.000 0.995 174 V HN 0.613 nan 8.190 nan 0.000 0.429 175 K N 3.966 124.512 120.400 0.243 0.000 2.483 175 K HA 0.487 5.442 4.320 1.057 0.000 0.256 175 K C 0.369 177.111 176.600 0.235 0.000 0.961 175 K CA -0.682 55.739 56.287 0.223 0.000 0.873 175 K CB 1.594 34.184 32.500 0.150 0.000 1.107 175 K HN 0.460 nan 8.250 nan 0.000 0.432 176 I N 1.279 122.011 120.570 0.269 0.000 2.353 176 I HA -0.084 4.720 4.170 1.057 0.000 0.248 176 I C 0.423 176.666 176.117 0.211 0.000 1.119 176 I CA 1.470 62.906 61.300 0.225 0.000 1.417 176 I CB -0.204 37.945 38.000 0.250 0.000 1.078 176 I HN 0.540 nan 8.210 nan 0.000 0.421 177 E N -0.279 120.017 120.200 0.161 0.000 2.266 177 E HA 0.288 5.272 4.350 1.057 0.000 0.268 177 E C -1.905 174.666 176.600 -0.048 0.000 0.879 177 E CA -2.114 54.338 56.400 0.088 0.000 0.762 177 E CB 1.654 31.397 29.700 0.072 0.000 1.199 177 E HN -0.161 nan 8.360 nan 0.000 0.422 178 P HA -0.151 nan 4.420 nan 0.000 0.218 178 P C 0.678 177.902 177.300 -0.127 0.000 1.146 178 P CA 1.274 64.211 63.100 -0.272 0.000 0.813 178 P CB 0.298 31.590 31.700 -0.681 0.000 0.778 179 N N -1.933 116.717 118.700 -0.083 0.000 2.204 179 N HA 0.067 5.441 4.740 1.057 0.000 0.219 179 N C -0.219 175.276 175.510 -0.025 0.000 1.151 179 N CA 0.051 53.084 53.050 -0.029 0.000 0.867 179 N CB 0.000 38.491 38.487 0.006 0.000 1.043 179 N HN 0.045 nan 8.380 nan 0.000 0.516 180 L N 1.110 122.316 121.223 -0.028 0.000 2.334 180 L HA 0.617 5.591 4.340 1.057 0.000 0.270 180 L C -2.168 174.657 176.870 -0.075 0.000 1.018 180 L CA -2.160 52.658 54.840 -0.036 0.000 0.811 180 L CB 1.199 43.253 42.059 -0.009 0.000 1.271 180 L HN -0.114 nan 8.230 nan 0.000 0.443 181 P HA 0.089 nan 4.420 nan 0.000 0.266 181 P C -0.951 176.206 177.300 -0.237 0.000 1.193 181 P CA -0.117 62.887 63.100 -0.161 0.000 0.770 181 P CB 0.431 32.021 31.700 -0.184 0.000 0.836 182 S N 1.622 117.236 115.700 -0.144 0.000 2.654 182 S HA 0.478 5.582 4.470 1.057 0.000 0.283 182 S C -0.990 173.539 174.600 -0.119 0.000 1.180 182 S CA -0.538 57.621 58.200 -0.068 0.000 1.021 182 S CB 0.358 63.634 63.200 0.126 0.000 1.018 182 S HN 0.248 nan 8.310 nan 0.000 0.532 183 Y N 0.486 120.817 120.300 0.051 0.000 2.335 183 Y HA 0.442 5.626 4.550 1.056 0.000 0.339 183 Y C 0.984 176.797 175.900 -0.145 0.000 0.987 183 Y CA -0.813 57.291 58.100 0.005 0.000 1.140 183 Y CB 0.933 39.392 38.460 -0.000 0.000 1.173 183 Y HN 0.575 nan 8.280 nan 0.000 0.486 184 R N 3.844 124.274 120.500 -0.117 0.000 2.347 184 R HA 0.153 5.127 4.340 1.057 0.000 0.304 184 R C 0.274 176.147 176.300 -0.710 0.000 1.072 184 R CA 0.083 55.708 56.100 -0.791 0.000 0.980 184 R CB 0.446 30.053 30.300 -1.155 0.000 0.986 184 R HN 0.789 nan 8.270 nan 0.000 0.448 185 I N 1.892 122.020 120.570 -0.738 0.000 2.628 185 I HA -0.047 4.757 4.170 1.057 0.000 0.255 185 I C 1.235 177.080 176.117 -0.454 0.000 1.119 185 I CA 1.069 62.092 61.300 -0.461 0.000 1.448 185 I CB -0.579 37.137 38.000 -0.473 0.000 1.133 185 I HN 0.547 nan 8.210 nan 0.000 0.438 186 T N -3.481 110.655 114.554 -0.696 0.000 2.856 186 T HA 0.318 5.302 4.350 1.057 0.000 0.283 186 T C -0.057 174.303 174.700 -0.568 0.000 1.008 186 T CA -0.521 61.291 62.100 -0.478 0.000 0.997 186 T CB 2.105 70.682 68.868 -0.486 0.000 0.992 186 T HN 0.215 nan 8.240 nan 0.000 0.454 187 W N 1.698 122.873 121.300 -0.208 0.000 2.862 187 W HA 0.140 5.435 4.660 1.058 0.000 0.376 187 W C 1.243 177.693 176.519 -0.115 0.000 1.028 187 W CA -0.051 57.208 57.345 -0.144 0.000 1.757 187 W CB 0.563 29.962 29.460 -0.102 0.000 1.128 187 W HN 0.967 nan 8.180 nan 0.000 0.566 188 T N -2.879 111.684 114.554 0.016 0.000 3.069 188 T HA 0.203 5.187 4.350 1.057 0.000 0.252 188 T C 1.178 175.849 174.700 -0.048 0.000 1.053 188 T CA 0.035 62.137 62.100 0.003 0.000 0.964 188 T CB 0.332 69.203 68.868 0.004 0.000 1.005 188 T HN -0.045 nan 8.240 nan 0.000 0.532 189 G N 1.332 110.067 108.800 -0.109 0.000 2.321 189 G HA2 0.352 4.946 3.960 1.057 0.000 0.237 189 G HA3 0.352 4.946 3.960 1.057 0.000 0.237 189 G C -0.593 174.228 174.900 -0.133 0.000 1.282 189 G CA -0.334 44.681 45.100 -0.142 0.000 0.886 189 G HN 0.541 nan 8.290 nan 0.000 0.528 190 K N 1.804 122.107 120.400 -0.161 0.000 2.589 190 K HA 0.137 5.091 4.320 1.057 0.000 0.253 190 K C -0.277 176.199 176.600 -0.205 0.000 0.974 190 K CA -0.631 55.570 56.287 -0.144 0.000 0.835 190 K CB 1.534 33.986 32.500 -0.079 0.000 1.272 190 K HN 0.657 nan 8.250 nan 0.000 0.444 191 E N 3.019 123.102 120.200 -0.195 0.000 2.708 191 E HA -0.164 4.820 4.350 1.057 0.000 0.260 191 E C -0.541 175.967 176.600 -0.153 0.000 0.937 191 E CA 1.136 57.418 56.400 -0.197 0.000 0.953 191 E CB 0.260 29.884 29.700 -0.127 0.000 0.915 191 E HN 0.639 nan 8.360 nan 0.000 0.487 192 D N 2.304 122.595 120.400 -0.181 0.000 3.046 192 D HA -0.232 5.042 4.640 1.057 0.000 0.210 192 D C 0.420 176.781 176.300 0.101 0.000 1.124 192 D CA 1.383 55.413 54.000 0.050 0.000 0.986 192 D CB -0.489 40.367 40.800 0.094 0.000 1.118 192 D HN 0.393 nan 8.370 nan 0.000 0.416 193 I N -1.107 119.436 120.570 -0.045 0.000 3.664 193 I HA 0.116 4.920 4.170 1.057 0.000 0.251 193 I C 0.732 176.914 176.117 0.109 0.000 1.134 193 I CA 0.365 61.709 61.300 0.073 0.000 1.520 193 I CB -0.038 37.979 38.000 0.028 0.000 1.638 193 I HN -0.142 nan 8.210 nan 0.000 0.431 194 I N 2.018 122.566 120.570 -0.036 0.000 2.355 194 I HA 0.244 5.048 4.170 1.057 0.000 0.288 194 I C -1.177 174.896 176.117 -0.075 0.000 0.999 194 I CA -0.548 60.778 61.300 0.044 0.000 1.163 194 I CB 0.623 38.636 38.000 0.023 0.000 1.316 194 I HN 0.065 nan 8.210 nan 0.000 0.454 195 Y N 4.940 125.319 120.300 0.132 0.000 2.369 195 Y HA 0.364 5.549 4.550 1.059 0.000 0.337 195 Y C 0.509 176.456 175.900 0.079 0.000 0.961 195 Y CA -0.585 57.595 58.100 0.133 0.000 1.186 195 Y CB 0.781 39.407 38.460 0.276 0.000 1.139 195 Y HN 0.415 nan 8.280 nan 0.000 0.494 196 N N 2.294 121.029 118.700 0.058 0.000 2.446 196 N HA 0.342 5.716 4.740 1.057 0.000 0.265 196 N C 0.826 176.249 175.510 -0.145 0.000 0.975 196 N CA 0.458 53.468 53.050 -0.066 0.000 0.928 196 N CB 1.851 40.190 38.487 -0.247 0.000 1.160 196 N HN 0.953 nan 8.380 nan 0.000 0.495 197 G N 1.633 110.372 108.800 -0.101 0.000 2.199 197 G HA2 -0.250 4.344 3.960 1.057 0.000 0.254 197 G HA3 -0.250 4.344 3.960 1.057 0.000 0.254 197 G C 0.087 174.842 174.900 -0.243 0.000 0.982 197 G CA 0.595 45.576 45.100 -0.198 0.000 0.632 197 G HN 0.642 nan 8.290 nan 0.000 0.529 198 I N -1.240 119.257 120.570 -0.123 0.000 2.769 198 I HA 0.747 5.551 4.170 1.057 0.000 0.298 198 I C 0.345 176.511 176.117 0.081 0.000 1.128 198 I CA -0.678 60.472 61.300 -0.251 0.000 1.031 198 I CB 2.001 39.660 38.000 -0.569 0.000 1.235 198 I HN 0.171 nan 8.210 nan 0.000 0.423 199 T N -0.007 114.541 114.554 -0.010 0.000 2.913 199 T HA 0.288 5.272 4.350 1.057 0.000 0.297 199 T C -0.045 174.474 174.700 -0.302 0.000 1.029 199 T CA -0.626 61.348 62.100 -0.210 0.000 1.104 199 T CB 1.014 69.841 68.868 -0.069 0.000 0.964 199 T HN 0.758 nan 8.240 nan 0.000 0.532 200 D N 1.081 121.003 120.400 -0.797 0.000 2.440 200 D HA 0.008 5.282 4.640 1.057 0.000 0.269 200 D C 1.010 177.204 176.300 -0.177 0.000 1.249 200 D CA -1.053 52.450 54.000 -0.828 0.000 1.055 200 D CB 0.027 40.267 40.800 -0.935 0.000 1.104 200 D HN 0.705 nan 8.370 nan 0.000 0.561 201 W N -0.038 121.192 121.300 -0.116 0.000 2.317 201 W HA -0.220 5.036 4.660 0.993 0.000 0.318 201 W C 2.197 178.607 176.519 -0.180 0.000 1.227 201 W CA 2.429 59.711 57.345 -0.105 0.000 1.269 201 W CB -0.457 28.891 29.460 -0.186 0.000 1.155 201 W HN 0.188 nan 8.180 nan 0.000 0.484 202 V N -0.293 119.650 119.914 0.049 0.000 2.453 202 V HA -0.273 4.481 4.120 1.057 0.000 0.247 202 V C 1.832 177.735 176.094 -0.319 0.000 1.048 202 V CA 1.892 64.099 62.300 -0.156 0.000 1.049 202 V CB -0.725 31.045 31.823 -0.089 0.000 0.672 202 V HN 0.285 nan 8.190 nan 0.000 0.457 203 Y N 0.567 120.662 120.300 -0.342 0.000 2.352 203 Y HA -0.138 5.046 4.550 1.056 0.000 0.292 203 Y C 2.558 178.338 175.900 -0.199 0.000 1.136 203 Y CA 1.993 59.904 58.100 -0.315 0.000 1.227 203 Y CB 0.073 38.240 38.460 -0.488 0.000 0.991 203 Y HN 0.393 nan 8.280 nan 0.000 0.545 204 E N 0.260 120.396 120.200 -0.107 0.000 2.028 204 E HA -0.253 4.731 4.350 1.057 0.000 0.190 204 E C 2.001 178.542 176.600 -0.099 0.000 0.984 204 E CA 1.344 57.717 56.400 -0.044 0.000 0.800 204 E CB 0.043 29.702 29.700 -0.068 0.000 0.758 204 E HN 0.402 nan 8.360 nan 0.000 0.448 205 E N 0.374 120.321 120.200 -0.422 0.000 2.046 205 E HA -0.171 4.813 4.350 1.057 0.000 0.190 205 E C 1.802 178.272 176.600 -0.216 0.000 0.982 205 E CA 1.605 57.753 56.400 -0.421 0.000 0.800 205 E CB 0.104 29.227 29.700 -0.961 0.000 0.756 205 E HN 0.198 nan 8.360 nan 0.000 0.449 206 E N -0.376 119.665 120.200 -0.265 0.000 2.276 206 E HA 0.010 4.995 4.350 1.057 0.000 0.193 206 E C 1.945 178.406 176.600 -0.232 0.000 0.983 206 E CA 0.956 57.248 56.400 -0.181 0.000 0.861 206 E CB 0.595 30.170 29.700 -0.208 0.000 0.817 206 E HN 0.330 nan 8.360 nan 0.000 0.485 207 V N -1.446 118.276 119.914 -0.319 0.000 2.854 207 V HA 0.103 4.858 4.120 1.057 0.000 0.236 207 V C 1.212 177.083 176.094 -0.372 0.000 1.157 207 V CA 0.350 62.389 62.300 -0.434 0.000 1.187 207 V CB -0.245 31.137 31.823 -0.735 0.000 0.949 207 V HN -0.011 nan 8.190 nan 0.000 0.488 208 F N 1.741 121.717 119.950 0.043 0.000 2.776 208 F HA 0.452 5.612 4.527 1.054 0.000 0.300 208 F C 1.574 177.347 175.800 -0.046 0.000 1.116 208 F CA 0.535 58.571 58.000 0.060 0.000 1.375 208 F CB -0.466 38.615 39.000 0.136 0.000 1.109 208 F HN 0.188 nan 8.300 nan 0.000 0.585 209 S N 0.672 116.400 115.700 0.047 0.000 3.491 209 S HA 0.027 5.131 4.470 1.057 0.000 0.371 209 S C 0.115 174.360 174.600 -0.592 0.000 0.980 209 S CA 0.436 58.541 58.200 -0.158 0.000 1.204 209 S CB -1.628 61.507 63.200 -0.108 0.000 0.915 209 S HN 0.697 nan 8.310 nan 0.000 0.482 210 A N -0.484 122.198 122.820 -0.229 0.000 2.567 210 A HA 0.665 5.619 4.320 1.057 0.000 0.291 210 A C -0.381 177.199 177.584 -0.006 0.000 1.048 210 A CA -0.442 51.469 52.037 -0.210 0.000 0.661 210 A CB 0.136 18.998 19.000 -0.230 0.000 1.288 210 A HN 0.390 nan 8.150 nan 0.000 0.424 211 Y N 1.119 121.265 120.300 -0.256 0.000 2.436 211 Y HA 0.270 5.460 4.550 1.068 0.000 0.288 211 Y C 1.524 177.139 175.900 -0.475 0.000 1.112 211 Y CA 0.921 58.876 58.100 -0.242 0.000 1.220 211 Y CB 0.005 38.372 38.460 -0.156 0.000 1.073 211 Y HN 0.714 nan 8.280 nan 0.000 0.552 212 S N 0.868 116.037 115.700 -0.885 0.000 2.537 212 S HA 0.407 5.511 4.470 1.057 0.000 0.286 212 S C 0.262 174.315 174.600 -0.912 0.000 1.299 212 S CA 0.235 57.648 58.200 -1.313 0.000 1.067 212 S CB 0.232 62.285 63.200 -1.912 0.000 0.864 212 S HN 0.447 nan 8.310 nan 0.000 0.494 213 A N 4.778 127.098 122.820 -0.833 0.000 3.129 213 A HA 0.540 5.494 4.320 1.057 0.000 0.282 213 A C -0.900 176.095 177.584 -0.983 0.000 0.948 213 A CA -0.665 50.873 52.037 -0.832 0.000 1.027 213 A CB -0.400 18.539 19.000 -0.101 0.000 1.123 213 A HN 0.959 nan 8.150 nan 0.000 0.485 214 L N -4.398 116.003 121.223 -1.370 0.000 2.482 214 L HA 0.824 5.798 4.340 1.057 0.000 0.263 214 L C -1.429 175.001 176.870 -0.733 0.000 0.957 214 L CA -1.197 53.211 54.840 -0.721 0.000 0.836 214 L CB 0.906 42.755 42.059 -0.349 0.000 1.324 214 L HN 0.254 nan 8.230 nan 0.000 0.406 215 W N 2.172 123.509 121.300 0.060 0.000 2.499 215 W HA 0.361 5.654 4.660 1.055 0.000 0.320 215 W C -1.269 175.461 176.519 0.352 0.000 1.010 215 W CA -0.728 56.773 57.345 0.259 0.000 1.267 215 W CB 1.593 31.268 29.460 0.358 0.000 1.316 215 W HN 0.622 nan 8.180 nan 0.000 0.431 216 W N 2.252 123.752 121.300 0.332 0.000 2.150 216 W HA 0.198 5.492 4.660 1.056 0.000 0.341 216 W C 1.260 177.585 176.519 -0.323 0.000 1.276 216 W CA 0.338 57.736 57.345 0.087 0.000 1.238 216 W CB 0.769 30.256 29.460 0.044 0.000 1.128 216 W HN 0.179 nan 8.180 nan 0.000 0.581 217 S N 2.076 117.502 115.700 -0.457 0.000 2.603 217 S HA 0.221 5.325 4.470 1.057 0.000 0.268 217 S C -1.815 172.539 174.600 -0.410 0.000 1.317 217 S CA -1.076 56.325 58.200 -1.333 0.000 1.012 217 S CB 1.184 63.671 63.200 -1.188 0.000 0.926 217 S HN 0.274 nan 8.310 nan 0.000 0.539 218 P HA -0.177 nan 4.420 nan 0.000 0.216 218 P C 0.787 178.060 177.300 -0.046 0.000 1.154 218 P CA 1.692 64.766 63.100 -0.044 0.000 0.865 218 P CB -0.212 31.510 31.700 0.037 0.000 0.789 219 N N -2.032 116.629 118.700 -0.064 0.000 2.235 219 N HA 0.147 5.521 4.740 1.057 0.000 0.209 219 N C 1.010 176.451 175.510 -0.114 0.000 1.122 219 N CA 0.345 53.354 53.050 -0.068 0.000 0.845 219 N CB -0.832 37.632 38.487 -0.038 0.000 1.004 219 N HN 0.158 nan 8.380 nan 0.000 0.499 220 G N -0.802 107.932 108.800 -0.111 0.000 2.155 220 G HA2 -0.345 4.249 3.960 1.057 0.000 0.257 220 G HA3 -0.345 4.249 3.960 1.057 0.000 0.257 220 G C 0.861 175.785 174.900 0.040 0.000 0.983 220 G CA 0.918 45.961 45.100 -0.096 0.000 0.676 220 G HN 0.402 nan 8.290 nan 0.000 0.528 221 T N -0.318 114.184 114.554 -0.087 0.000 2.851 221 T HA 0.262 5.246 4.350 1.057 0.000 0.262 221 T C 0.837 175.326 174.700 -0.353 0.000 1.043 221 T CA 1.113 63.042 62.100 -0.285 0.000 1.140 221 T CB -0.006 68.544 68.868 -0.530 0.000 0.872 221 T HN 0.283 nan 8.240 nan 0.000 0.446 222 F N 0.506 120.472 119.950 0.028 0.000 2.425 222 F HA 0.644 5.805 4.527 1.056 0.000 0.331 222 F C -0.260 175.561 175.800 0.035 0.000 1.085 222 F CA -1.699 56.330 58.000 0.048 0.000 1.028 222 F CB 1.202 40.263 39.000 0.100 0.000 1.177 222 F HN -0.112 nan 8.300 nan 0.000 0.487 223 L N 2.725 124.043 121.223 0.160 0.000 2.372 223 L HA 0.797 5.771 4.340 1.057 0.000 0.273 223 L C -0.719 176.205 176.870 0.091 0.000 0.989 223 L CA -0.436 54.315 54.840 -0.148 0.000 0.841 223 L CB 0.817 42.503 42.059 -0.621 0.000 1.225 223 L HN 0.663 nan 8.230 nan 0.000 0.414 224 A N 4.545 127.506 122.820 0.234 0.000 2.303 224 A HA 0.795 5.750 4.320 1.057 0.000 0.317 224 A C -1.351 176.247 177.584 0.023 0.000 1.149 224 A CA -0.212 51.830 52.037 0.009 0.000 0.822 224 A CB 0.578 19.674 19.000 0.159 0.000 1.131 224 A HN 0.904 nan 8.150 nan 0.000 0.493 225 Y N -1.871 118.149 120.300 -0.467 0.000 2.609 225 Y HA 0.755 5.939 4.550 1.056 0.000 0.336 225 Y C -0.346 175.349 175.900 -0.342 0.000 1.129 225 Y CA -0.898 57.066 58.100 -0.227 0.000 1.040 225 Y CB 0.826 39.153 38.460 -0.222 0.000 1.310 225 Y HN 0.931 nan 8.280 nan 0.000 0.460 226 A N 1.961 124.839 122.820 0.096 0.000 2.311 226 A HA 0.735 5.689 4.320 1.057 0.000 0.334 226 A C -1.233 176.253 177.584 -0.163 0.000 1.139 226 A CA -0.840 51.135 52.037 -0.103 0.000 0.830 226 A CB 1.820 20.731 19.000 -0.149 0.000 1.234 226 A HN 0.833 nan 8.150 nan 0.000 0.483 227 Q N 0.874 120.489 119.800 -0.308 0.000 2.285 227 Q HA 0.583 5.557 4.340 1.057 0.000 0.269 227 Q C -2.170 173.637 176.000 -0.323 0.000 1.030 227 Q CA -0.370 55.347 55.803 -0.143 0.000 0.788 227 Q CB 1.170 30.005 28.738 0.161 0.000 1.266 227 Q HN 0.580 nan 8.270 nan 0.000 0.438 228 F N 2.507 122.559 119.950 0.170 0.000 2.436 228 F HA 0.401 5.567 4.527 1.066 0.000 0.340 228 F C 0.418 176.368 175.800 0.250 0.000 1.113 228 F CA -0.887 57.198 58.000 0.140 0.000 1.022 228 F CB 1.324 40.322 39.000 -0.004 0.000 1.128 228 F HN 0.442 nan 8.300 nan 0.000 0.466 229 N N 2.206 121.119 118.700 0.354 0.000 2.469 229 N HA 0.203 5.577 4.740 1.057 0.000 0.253 229 N C -0.684 174.999 175.510 0.288 0.000 0.970 229 N CA -0.276 52.946 53.050 0.287 0.000 0.940 229 N CB 0.986 39.591 38.487 0.196 0.000 1.128 229 N HN 0.546 nan 8.380 nan 0.000 0.503 230 D N 1.327 121.917 120.400 0.316 0.000 2.402 230 D HA 0.123 5.397 4.640 1.057 0.000 0.216 230 D C 1.172 177.593 176.300 0.201 0.000 1.128 230 D CA 0.170 54.335 54.000 0.275 0.000 0.833 230 D CB 0.533 41.551 40.800 0.362 0.000 0.971 230 D HN 0.482 nan 8.370 nan 0.000 0.503 231 T N 0.360 115.015 114.554 0.168 0.000 2.680 231 T HA -0.224 4.761 4.350 1.057 0.000 0.268 231 T C 1.329 176.089 174.700 0.101 0.000 1.033 231 T CA 1.374 63.546 62.100 0.120 0.000 1.152 231 T CB -0.063 68.864 68.868 0.099 0.000 0.859 231 T HN 0.313 nan 8.240 nan 0.000 0.452 232 E N 0.165 120.426 120.200 0.102 0.000 2.476 232 E HA 0.176 5.160 4.350 1.057 0.000 0.196 232 E C -0.384 176.270 176.600 0.089 0.000 1.029 232 E CA -0.254 56.196 56.400 0.083 0.000 0.896 232 E CB 0.600 30.342 29.700 0.070 0.000 1.012 232 E HN 0.194 nan 8.360 nan 0.000 0.475 233 V N 3.686 123.667 119.914 0.113 0.000 2.521 233 V HA 0.066 4.820 4.120 1.057 0.000 0.286 233 V C -1.937 174.218 176.094 0.102 0.000 1.034 233 V CA -1.283 61.087 62.300 0.117 0.000 1.045 233 V CB 0.379 32.290 31.823 0.147 0.000 0.974 233 V HN 0.059 nan 8.190 nan 0.000 0.480 234 P HA 0.268 nan 4.420 nan 0.000 0.273 234 P C -0.826 176.516 177.300 0.071 0.000 1.250 234 P CA -0.310 62.831 63.100 0.069 0.000 0.793 234 P CB 0.516 32.254 31.700 0.062 0.000 1.011 235 L N 1.116 122.357 121.223 0.031 0.000 2.329 235 L HA 0.477 5.451 4.340 1.057 0.000 0.279 235 L C 0.136 176.962 176.870 -0.073 0.000 1.014 235 L CA -0.997 53.843 54.840 0.000 0.000 0.814 235 L CB 1.233 43.285 42.059 -0.011 0.000 1.257 235 L HN 0.268 nan 8.230 nan 0.000 0.424 236 I N 2.434 122.916 120.570 -0.148 0.000 2.396 236 I HA 0.282 5.086 4.170 1.057 0.000 0.292 236 I C -0.368 175.596 176.117 -0.255 0.000 0.999 236 I CA 0.170 61.274 61.300 -0.327 0.000 1.310 236 I CB 0.935 38.488 38.000 -0.746 0.000 1.404 236 I HN 0.585 nan 8.210 nan 0.000 0.496 237 E N 7.289 127.355 120.200 -0.222 0.000 2.248 237 E HA 0.526 5.510 4.350 1.057 0.000 0.267 237 E C -1.814 174.714 176.600 -0.120 0.000 0.877 237 E CA -0.595 55.677 56.400 -0.213 0.000 0.759 237 E CB 2.107 31.712 29.700 -0.157 0.000 1.182 237 E HN 0.563 nan 8.360 nan 0.000 0.418 238 Y N -1.781 118.426 120.300 -0.155 0.000 2.581 238 Y HA 0.524 5.717 4.550 1.071 0.000 0.337 238 Y C -0.719 175.107 175.900 -0.124 0.000 1.108 238 Y CA -1.270 56.746 58.100 -0.140 0.000 1.033 238 Y CB 0.861 39.242 38.460 -0.131 0.000 1.318 238 Y HN 0.216 nan 8.280 nan 0.000 0.459 239 S N 2.267 117.941 115.700 -0.042 0.000 2.564 239 S HA 0.404 5.508 4.470 1.057 0.000 0.278 239 S C -1.303 173.128 174.600 -0.283 0.000 1.333 239 S CA -0.272 57.765 58.200 -0.271 0.000 1.048 239 S CB 0.232 63.144 63.200 -0.480 0.000 0.900 239 S HN 0.539 nan 8.310 nan 0.000 0.505 240 F N 2.752 122.419 119.950 -0.473 0.000 2.499 240 F HA 0.423 5.578 4.527 1.047 0.000 0.333 240 F C -0.193 175.369 175.800 -0.397 0.000 1.138 240 F CA -0.966 56.859 58.000 -0.291 0.000 0.945 240 F CB 0.691 39.648 39.000 -0.072 0.000 1.181 240 F HN 0.647 nan 8.300 nan 0.000 0.435 241 Y N 2.816 122.912 120.300 -0.341 0.000 2.337 241 Y HA 0.083 5.265 4.550 1.053 0.000 0.293 241 Y C 1.750 177.561 175.900 -0.149 0.000 1.123 241 Y CA 1.192 59.173 58.100 -0.199 0.000 1.201 241 Y CB -0.649 37.690 38.460 -0.202 0.000 1.011 241 Y HN 0.731 nan 8.280 nan 0.000 0.545 242 S N -0.436 115.141 115.700 -0.206 0.000 3.633 242 S HA -0.215 4.889 4.470 1.057 0.000 0.637 242 S C -0.602 174.024 174.600 0.044 0.000 2.289 242 S CA 0.035 58.256 58.200 0.035 0.000 2.476 242 S CB -1.127 62.207 63.200 0.224 0.000 0.330 242 S HN 0.461 nan 8.310 nan 0.000 1.787 243 D N 1.490 121.940 120.400 0.082 0.000 2.400 243 D HA 0.127 5.401 4.640 1.057 0.000 0.238 243 D C 1.445 177.770 176.300 0.042 0.000 1.157 243 D CA 0.434 54.467 54.000 0.055 0.000 0.889 243 D CB 0.275 41.111 40.800 0.061 0.000 1.199 243 D HN 0.616 nan 8.370 nan 0.000 0.436 244 E N 0.704 120.918 120.200 0.024 0.000 2.136 244 E HA -0.289 4.696 4.350 1.057 0.000 0.202 244 E C 1.714 178.323 176.600 0.016 0.000 1.019 244 E CA 1.897 58.304 56.400 0.011 0.000 0.819 244 E CB 0.070 29.771 29.700 0.002 0.000 0.739 244 E HN 0.488 nan 8.360 nan 0.000 0.458 245 S N 0.147 115.862 115.700 0.024 0.000 2.465 245 S HA -0.137 4.967 4.470 1.057 0.000 0.241 245 S C 1.116 175.738 174.600 0.036 0.000 1.000 245 S CA 0.217 58.433 58.200 0.026 0.000 0.964 245 S CB -0.286 62.933 63.200 0.031 0.000 0.763 245 S HN 0.270 nan 8.310 nan 0.000 0.512 246 L N 2.110 123.363 121.223 0.050 0.000 2.418 246 L HA 0.135 5.109 4.340 1.057 0.000 0.274 246 L C 1.578 178.476 176.870 0.045 0.000 1.135 246 L CA 0.050 54.931 54.840 0.068 0.000 0.870 246 L CB 0.940 43.054 42.059 0.092 0.000 1.154 246 L HN 0.431 nan 8.230 nan 0.000 0.462 247 Q N 3.975 123.805 119.800 0.051 0.000 2.083 247 Q HA -0.079 4.895 4.340 1.057 0.000 0.198 247 Q C -0.602 175.279 176.000 -0.198 0.000 0.969 247 Q CA 1.279 57.052 55.803 -0.049 0.000 0.838 247 Q CB 0.235 28.976 28.738 0.004 0.000 0.900 247 Q HN 0.599 nan 8.270 nan 0.000 0.436 248 Y N 0.483 120.797 120.300 0.023 0.000 2.335 248 Y HA 0.374 5.557 4.550 1.056 0.000 0.338 248 Y C -2.093 173.817 175.900 0.017 0.000 0.977 248 Y CA -2.893 55.217 58.100 0.017 0.000 1.114 248 Y CB 1.427 39.888 38.460 0.003 0.000 1.182 248 Y HN 0.125 nan 8.280 nan 0.000 0.463 249 P HA 0.026 nan 4.420 nan 0.000 0.269 249 P C -0.675 176.633 177.300 0.012 0.000 1.209 249 P CA -0.428 62.685 63.100 0.022 0.000 0.776 249 P CB 0.713 32.380 31.700 -0.054 0.000 0.876 250 K N 1.434 121.829 120.400 -0.009 0.000 2.098 250 K HA 0.353 5.308 4.320 1.057 0.000 0.261 250 K C -0.725 175.830 176.600 -0.076 0.000 0.987 250 K CA -0.299 55.985 56.287 -0.005 0.000 0.916 250 K CB 0.596 33.125 32.500 0.049 0.000 1.039 250 K HN 0.319 nan 8.250 nan 0.000 0.455 251 T N 2.798 117.293 114.554 -0.099 0.000 2.756 251 T HA 0.252 5.236 4.350 1.057 0.000 0.290 251 T C -0.614 173.955 174.700 -0.218 0.000 0.985 251 T CA -0.610 61.393 62.100 -0.161 0.000 0.955 251 T CB 1.107 69.898 68.868 -0.128 0.000 0.930 251 T HN 0.293 nan 8.240 nan 0.000 0.451 252 V N 5.909 125.592 119.914 -0.384 0.000 2.567 252 V HA 0.576 5.330 4.120 1.057 0.000 0.289 252 V C 0.220 176.056 176.094 -0.431 0.000 1.049 252 V CA -0.771 61.262 62.300 -0.444 0.000 0.969 252 V CB 0.897 32.292 31.823 -0.712 0.000 0.995 252 V HN 0.774 nan 8.190 nan 0.000 0.471 253 R N 3.951 124.317 120.500 -0.224 0.000 2.514 253 R HA 0.725 5.699 4.340 1.057 0.000 0.296 253 R C -1.540 174.746 176.300 -0.023 0.000 1.012 253 R CA -0.587 55.423 56.100 -0.150 0.000 0.897 253 R CB 1.423 31.662 30.300 -0.102 0.000 1.184 253 R HN 0.495 nan 8.270 nan 0.000 0.440 254 V N 2.010 121.915 119.914 -0.015 0.000 2.588 254 V HA 0.534 5.288 4.120 1.057 0.000 0.304 254 V C -2.681 173.469 176.094 0.094 0.000 1.042 254 V CA -2.474 59.889 62.300 0.105 0.000 0.877 254 V CB 2.475 34.382 31.823 0.140 0.000 0.996 254 V HN 0.576 nan 8.190 nan 0.000 0.425 255 P HA 0.181 nan 4.420 nan 0.000 0.261 255 P C -1.717 175.698 177.300 0.190 0.000 1.203 255 P CA 0.631 63.840 63.100 0.181 0.000 0.767 255 P CB -0.328 31.519 31.700 0.246 0.000 0.785 256 Y N 6.528 126.814 120.300 -0.024 0.000 2.307 256 Y HA 0.404 5.575 4.550 1.035 0.000 0.323 256 Y C -2.810 173.074 175.900 -0.027 0.000 1.100 256 Y CA -2.922 55.121 58.100 -0.094 0.000 1.140 256 Y CB 1.814 40.089 38.460 -0.309 0.000 1.159 256 Y HN 0.273 nan 8.280 nan 0.000 0.436 257 P HA 0.283 nan 4.420 nan 0.000 0.292 257 P C -1.002 176.355 177.300 0.094 0.000 1.326 257 P CA -0.257 62.896 63.100 0.089 0.000 0.787 257 P CB 1.644 33.378 31.700 0.055 0.000 0.903 258 K N 2.012 122.544 120.400 0.219 0.000 2.117 258 K HA 0.521 5.476 4.320 1.057 0.000 0.240 258 K C 0.533 177.233 176.600 0.168 0.000 1.031 258 K CA -0.778 55.657 56.287 0.246 0.000 0.909 258 K CB 0.483 33.149 32.500 0.276 0.000 1.097 258 K HN 0.462 nan 8.250 nan 0.000 0.492 259 A N 0.605 123.551 122.820 0.209 0.000 2.573 259 A HA 0.236 5.190 4.320 1.057 0.000 0.250 259 A C 1.207 178.831 177.584 0.067 0.000 1.049 259 A CA 1.073 53.222 52.037 0.187 0.000 0.767 259 A CB -1.353 17.836 19.000 0.315 0.000 0.965 259 A HN 0.900 nan 8.150 nan 0.000 0.514 260 G N 1.010 109.841 108.800 0.052 0.000 2.184 260 G HA2 0.071 4.665 3.960 1.057 0.000 0.264 260 G HA3 0.071 4.665 3.960 1.057 0.000 0.264 260 G C 0.722 175.637 174.900 0.024 0.000 0.975 260 G CA 0.956 46.060 45.100 0.007 0.000 0.642 260 G HN 2.186 nan 8.290 nan 0.000 0.536 261 A N -0.546 122.306 122.820 0.052 0.000 2.250 261 A HA 0.755 5.709 4.320 1.057 0.000 0.283 261 A C 0.855 178.474 177.584 0.058 0.000 1.206 261 A CA 0.316 52.387 52.037 0.057 0.000 0.840 261 A CB 0.570 19.618 19.000 0.079 0.000 1.220 261 A HN 1.129 nan 8.150 nan 0.000 0.505 262 V N 2.065 122.015 119.914 0.060 0.000 2.572 262 V HA 0.065 4.819 4.120 1.057 0.000 0.291 262 V C 0.247 176.391 176.094 0.083 0.000 1.039 262 V CA -0.131 62.206 62.300 0.062 0.000 1.055 262 V CB 0.162 32.021 31.823 0.060 0.000 0.969 262 V HN 0.777 nan 8.190 nan 0.000 0.482 263 N N 5.837 124.588 118.700 0.085 0.000 2.489 263 N HA 0.489 5.863 4.740 1.057 0.000 0.284 263 N C -2.382 173.223 175.510 0.158 0.000 1.158 263 N CA -1.528 51.597 53.050 0.126 0.000 0.965 263 N CB 1.393 39.955 38.487 0.126 0.000 1.195 263 N HN 0.401 nan 8.380 nan 0.000 0.506 264 P HA 0.078 nan 4.420 nan 0.000 0.272 264 P C -0.497 176.972 177.300 0.282 0.000 1.230 264 P CA -0.098 63.166 63.100 0.274 0.000 0.788 264 P CB 0.341 32.248 31.700 0.345 0.000 0.949 265 T N -1.803 112.898 114.554 0.245 0.000 2.945 265 T HA 0.581 5.565 4.350 1.057 0.000 0.286 265 T C -0.342 174.495 174.700 0.229 0.000 1.025 265 T CA -0.854 61.352 62.100 0.177 0.000 1.039 265 T CB 1.559 70.494 68.868 0.111 0.000 1.068 265 T HN 0.319 nan 8.240 nan 0.000 0.497 266 V N 0.826 120.851 119.914 0.185 0.000 2.876 266 V HA 0.753 5.507 4.120 1.057 0.000 0.312 266 V C -1.486 174.703 176.094 0.158 0.000 1.085 266 V CA -0.870 61.506 62.300 0.125 0.000 0.945 266 V CB 2.042 33.976 31.823 0.185 0.000 1.017 266 V HN 1.031 nan 8.190 nan 0.000 0.428 267 K N 4.696 125.136 120.400 0.067 0.000 2.464 267 K HA 0.519 5.473 4.320 1.057 0.000 0.253 267 K C -1.860 174.718 176.600 -0.037 0.000 0.933 267 K CA -0.449 55.868 56.287 0.050 0.000 0.801 267 K CB 2.759 35.320 32.500 0.102 0.000 1.271 267 K HN 0.546 nan 8.250 nan 0.000 0.430 268 F N 2.403 122.124 119.950 -0.380 0.000 2.480 268 F HA 0.581 5.741 4.527 1.055 0.000 0.329 268 F C -1.167 174.106 175.800 -0.878 0.000 1.091 268 F CA -0.601 57.128 58.000 -0.451 0.000 0.972 268 F CB 0.794 39.614 39.000 -0.301 0.000 1.150 268 F HN 0.385 nan 8.300 nan 0.000 0.467 269 F N 3.136 122.443 119.950 -1.071 0.000 2.629 269 F HA 0.755 5.916 4.527 1.056 0.000 0.316 269 F C -1.031 174.158 175.800 -1.019 0.000 1.081 269 F CA -1.172 56.266 58.000 -0.936 0.000 0.954 269 F CB 2.071 40.397 39.000 -1.124 0.000 1.337 269 F HN 0.088 nan 8.300 nan 0.000 0.474 270 V N 2.310 122.013 119.914 -0.352 0.000 2.668 270 V HA 0.568 5.323 4.120 1.057 0.000 0.304 270 V C -1.239 174.912 176.094 0.096 0.000 1.071 270 V CA -0.767 61.388 62.300 -0.241 0.000 0.894 270 V CB 1.868 33.315 31.823 -0.627 0.000 1.008 270 V HN 0.614 nan 8.190 nan 0.000 0.425 271 V N 4.301 124.336 119.914 0.202 0.000 2.715 271 V HA 0.547 5.301 4.120 1.057 0.000 0.310 271 V C -0.169 176.102 176.094 0.293 0.000 1.054 271 V CA -0.632 61.813 62.300 0.242 0.000 0.928 271 V CB 2.121 34.038 31.823 0.157 0.000 1.007 271 V HN 0.997 nan 8.190 nan 0.000 0.437 272 N N 2.654 121.496 118.700 0.236 0.000 2.420 272 N HA 0.199 5.573 4.740 1.057 0.000 0.249 272 N C 1.041 176.521 175.510 -0.050 0.000 1.033 272 N CA 0.270 53.346 53.050 0.044 0.000 0.944 272 N CB 1.146 39.651 38.487 0.031 0.000 1.113 272 N HN 0.872 nan 8.380 nan 0.000 0.502 273 T N -0.396 114.117 114.554 -0.070 0.000 3.160 273 T HA 0.018 5.003 4.350 1.057 0.000 0.257 273 T C 0.309 174.961 174.700 -0.081 0.000 1.147 273 T CA 0.457 62.535 62.100 -0.038 0.000 1.064 273 T CB 0.048 69.006 68.868 0.149 0.000 0.949 273 T HN 0.389 nan 8.240 nan 0.000 0.526 274 D N 1.271 121.600 120.400 -0.119 0.000 2.369 274 D HA 0.122 5.396 4.640 1.057 0.000 0.211 274 D C 1.378 177.626 176.300 -0.087 0.000 1.077 274 D CA 0.301 54.241 54.000 -0.101 0.000 0.842 274 D CB 0.518 41.249 40.800 -0.115 0.000 0.947 274 D HN 0.637 nan 8.370 nan 0.000 0.509 275 S N -0.699 114.945 115.700 -0.093 0.000 2.663 275 S HA 0.197 5.302 4.470 1.057 0.000 0.243 275 S C 1.576 176.109 174.600 -0.111 0.000 1.009 275 S CA -0.366 57.797 58.200 -0.062 0.000 0.988 275 S CB -0.193 63.005 63.200 -0.005 0.000 0.896 275 S HN 0.073 nan 8.310 nan 0.000 0.502 276 L N 1.825 122.897 121.223 -0.252 0.000 2.179 276 L HA -0.040 4.935 4.340 1.057 0.000 0.208 276 L C 2.703 179.358 176.870 -0.358 0.000 1.096 276 L CA 0.875 55.427 54.840 -0.480 0.000 0.779 276 L CB -1.070 40.316 42.059 -1.120 0.000 0.922 276 L HN 0.639 nan 8.230 nan 0.000 0.443 277 S N 0.707 116.291 115.700 -0.195 0.000 2.930 277 S HA -0.473 4.631 4.470 1.057 0.000 0.391 277 S C 1.381 176.139 174.600 0.264 0.000 1.497 277 S CA 3.149 61.382 58.200 0.055 0.000 1.219 277 S CB -1.073 62.154 63.200 0.045 0.000 1.284 277 S HN 0.746 nan 8.310 nan 0.000 0.464 278 S N -1.936 113.915 115.700 0.252 0.000 2.026 278 S HA -0.061 5.043 4.470 1.057 0.000 0.121 278 S C 1.329 176.034 174.600 0.175 0.000 0.593 278 S CA 1.042 59.409 58.200 0.278 0.000 1.663 278 S CB -1.496 61.815 63.200 0.185 0.000 0.929 278 S HN 1.680 nan 8.310 nan 0.000 0.407 279 V N 2.528 122.513 119.914 0.119 0.000 2.265 279 V HA -0.055 4.699 4.120 1.057 0.000 0.247 279 V C 1.411 177.553 176.094 0.081 0.000 1.024 279 V CA 2.048 64.397 62.300 0.082 0.000 1.038 279 V CB -2.074 29.785 31.823 0.059 0.000 0.675 279 V HN 0.813 nan 8.190 nan 0.000 0.485 280 T N -1.250 113.350 114.554 0.077 0.000 2.604 280 T HA 0.391 5.375 4.350 1.057 0.000 0.267 280 T C -0.486 174.274 174.700 0.101 0.000 0.923 280 T CA -0.737 61.399 62.100 0.059 0.000 1.077 280 T CB 0.404 69.283 68.868 0.018 0.000 1.392 280 T HN 0.445 nan 8.240 nan 0.000 0.531 281 N N 1.351 120.082 118.700 0.052 0.000 2.492 281 N HA 0.435 5.809 4.740 1.057 0.000 0.262 281 N C -0.073 175.523 175.510 0.143 0.000 1.202 281 N CA -0.147 52.985 53.050 0.136 0.000 0.926 281 N CB 0.390 38.789 38.487 -0.146 0.000 1.078 281 N HN 0.816 nan 8.380 nan 0.000 0.454 282 A N 1.754 124.686 122.820 0.187 0.000 2.483 282 A HA 0.242 5.196 4.320 1.057 0.000 0.238 282 A C 0.261 177.910 177.584 0.110 0.000 1.070 282 A CA 0.036 52.135 52.037 0.102 0.000 0.770 282 A CB 0.007 19.037 19.000 0.051 0.000 1.008 282 A HN 0.554 nan 8.150 nan 0.000 0.497 283 T N 2.492 117.107 114.554 0.102 0.000 2.743 283 T HA 0.401 5.385 4.350 1.057 0.000 0.293 283 T C 0.144 174.938 174.700 0.156 0.000 0.945 283 T CA 0.086 62.259 62.100 0.121 0.000 1.030 283 T CB 0.671 69.612 68.868 0.121 0.000 0.912 283 T HN 0.520 nan 8.240 nan 0.000 0.483 284 S N 3.671 119.470 115.700 0.164 0.000 2.442 284 S HA 0.446 5.550 4.470 1.057 0.000 0.297 284 S C 0.064 174.842 174.600 0.297 0.000 1.131 284 S CA -0.777 57.553 58.200 0.217 0.000 1.092 284 S CB 0.278 63.569 63.200 0.151 0.000 0.998 284 S HN 0.464 nan 8.310 nan 0.000 0.478 285 I N 3.616 124.356 120.570 0.283 0.000 2.325 285 I HA 0.257 5.061 4.170 1.057 0.000 0.291 285 I C 0.619 176.824 176.117 0.147 0.000 1.019 285 I CA -0.240 61.221 61.300 0.269 0.000 1.302 285 I CB 0.957 39.190 38.000 0.389 0.000 1.401 285 I HN 0.667 nan 8.210 nan 0.000 0.485 286 Q N 6.188 126.024 119.800 0.060 0.000 2.299 286 Q HA 0.493 5.467 4.340 1.057 0.000 0.246 286 Q C -1.112 174.787 176.000 -0.167 0.000 0.935 286 Q CA -0.376 55.229 55.803 -0.331 0.000 0.887 286 Q CB 1.365 29.833 28.738 -0.450 0.000 1.223 286 Q HN 0.557 nan 8.270 nan 0.000 0.439 287 I N 3.944 124.398 120.570 -0.194 0.000 2.411 287 I HA 0.212 5.017 4.170 1.057 0.000 0.284 287 I C 0.467 176.561 176.117 -0.039 0.000 1.012 287 I CA -0.484 60.793 61.300 -0.039 0.000 1.119 287 I CB 1.559 39.572 38.000 0.021 0.000 1.261 287 I HN 0.799 nan 8.210 nan 0.000 0.448 288 T N 3.140 117.642 114.554 -0.087 0.000 2.946 288 T HA 0.808 5.792 4.350 1.057 0.000 0.295 288 T C 0.919 175.428 174.700 -0.318 0.000 1.143 288 T CA 0.282 62.280 62.100 -0.170 0.000 0.944 288 T CB 1.074 69.845 68.868 -0.162 0.000 1.800 288 T HN 0.849 nan 8.240 nan 0.000 0.590 289 A N 0.903 123.463 122.820 -0.433 0.000 5.896 289 A HA -0.064 4.890 4.320 1.057 0.000 0.309 289 A C -2.301 174.694 177.584 -0.982 0.000 1.873 289 A CA 0.399 52.102 52.037 -0.558 0.000 0.760 289 A CB -2.890 15.911 19.000 -0.333 0.000 1.279 289 A HN 0.880 nan 8.150 nan 0.000 0.399 290 P HA 0.386 nan 4.420 nan 0.000 0.269 290 P C 0.908 177.987 177.300 -0.369 0.000 1.215 290 P CA 0.739 63.594 63.100 -0.409 0.000 0.780 290 P CB 0.478 32.009 31.700 -0.282 0.000 0.898 291 A N 2.300 124.977 122.820 -0.238 0.000 1.978 291 A HA -0.199 4.755 4.320 1.057 0.000 0.220 291 A C 2.015 179.486 177.584 -0.188 0.000 1.170 291 A CA 2.320 54.239 52.037 -0.197 0.000 0.636 291 A CB -1.732 17.189 19.000 -0.131 0.000 0.810 291 A HN 0.617 nan 8.150 nan 0.000 0.448 292 S N -2.274 113.333 115.700 -0.155 0.000 2.555 292 S HA 0.007 5.111 4.470 1.057 0.000 0.230 292 S C 1.539 176.042 174.600 -0.161 0.000 0.978 292 S CA 1.484 59.612 58.200 -0.120 0.000 0.934 292 S CB -0.141 63.052 63.200 -0.011 0.000 0.766 292 S HN 0.354 nan 8.310 nan 0.000 0.533 293 M N 1.029 120.464 119.600 -0.274 0.000 2.691 293 M HA 0.489 5.603 4.480 1.057 0.000 0.261 293 M C 1.586 177.568 176.300 -0.531 0.000 1.227 293 M CA 0.824 55.885 55.300 -0.398 0.000 1.197 293 M CB -0.497 31.747 32.600 -0.593 0.000 1.294 293 M HN 0.238 nan 8.290 nan 0.000 0.508 294 L N 0.601 121.518 121.223 -0.509 0.000 2.353 294 L HA -0.141 4.833 4.340 1.057 0.000 0.220 294 L C 2.126 178.907 176.870 -0.149 0.000 1.133 294 L CA 0.845 55.482 54.840 -0.338 0.000 0.798 294 L CB -1.116 40.782 42.059 -0.268 0.000 0.922 294 L HN 0.414 nan 8.230 nan 0.000 0.445 295 I N -2.298 118.186 120.570 -0.143 0.000 2.700 295 I HA 0.045 4.849 4.170 1.057 0.000 0.261 295 I C 1.025 177.109 176.117 -0.053 0.000 1.219 295 I CA 0.929 62.174 61.300 -0.091 0.000 1.463 295 I CB -0.377 37.562 38.000 -0.103 0.000 1.092 295 I HN 0.110 nan 8.210 nan 0.000 0.452 296 G N -0.046 108.739 108.800 -0.025 0.000 2.634 296 G HA2 0.260 4.854 3.960 1.057 0.000 0.309 296 G HA3 0.260 4.854 3.960 1.057 0.000 0.309 296 G C -1.840 173.117 174.900 0.095 0.000 1.299 296 G CA -0.587 44.519 45.100 0.010 0.000 0.798 296 G HN 0.063 nan 8.290 nan 0.000 0.490 297 D N 1.195 121.602 120.400 0.013 0.000 2.414 297 D HA 0.439 5.714 4.640 1.057 0.000 0.242 297 D C 0.374 176.630 176.300 -0.073 0.000 1.129 297 D CA 0.692 54.649 54.000 -0.073 0.000 0.885 297 D CB 0.510 41.219 40.800 -0.152 0.000 1.198 297 D HN 0.547 nan 8.370 nan 0.000 0.437 298 H N -0.979 117.945 119.070 -0.244 0.000 2.933 298 H HA 0.458 5.648 4.556 1.058 0.000 0.310 298 H C -1.391 173.803 175.328 -0.224 0.000 1.351 298 H CA -0.800 55.107 56.048 -0.235 0.000 1.137 298 H CB 0.371 30.125 29.762 -0.013 0.000 1.853 298 H HN 0.296 nan 8.280 nan 0.000 0.539 299 Y N -0.030 120.499 120.300 0.381 0.000 2.524 299 Y HA 0.381 5.569 4.550 1.064 0.000 0.347 299 Y C -0.418 175.782 175.900 0.500 0.000 1.005 299 Y CA -1.131 57.198 58.100 0.383 0.000 1.025 299 Y CB 1.947 40.467 38.460 0.099 0.000 1.275 299 Y HN 0.494 nan 8.280 nan 0.000 0.460 300 L N 3.310 124.916 121.223 0.638 0.000 2.281 300 L HA 0.404 5.378 4.340 1.057 0.000 0.285 300 L C 0.424 177.355 176.870 0.101 0.000 1.074 300 L CA -0.257 54.581 54.840 -0.003 0.000 0.817 300 L CB 0.305 42.302 42.059 -0.103 0.000 1.168 300 L HN 0.957 nan 8.230 nan 0.000 0.434 301 C N 1.516 120.734 119.300 -0.135 0.000 3.336 301 C HA 0.564 5.658 4.460 1.057 0.000 0.291 301 C C 0.023 174.900 174.990 -0.189 0.000 1.363 301 C CA -0.480 58.416 59.018 -0.203 0.000 1.737 301 C CB -0.978 26.688 27.740 -0.124 0.000 2.274 301 C HN 0.863 nan 8.230 nan 0.000 0.663 302 D N 0.038 120.342 120.400 -0.161 0.000 2.734 302 D HA 0.347 5.621 4.640 1.057 0.000 0.224 302 D C -1.837 174.224 176.300 -0.398 0.000 1.222 302 D CA 0.135 54.062 54.000 -0.122 0.000 0.761 302 D CB 2.395 43.102 40.800 -0.155 0.000 1.569 302 D HN 0.412 nan 8.370 nan 0.000 0.477 303 V N 1.323 120.950 119.914 -0.479 0.000 2.668 303 V HA 0.806 5.560 4.120 1.057 0.000 0.304 303 V C -1.650 174.114 176.094 -0.550 0.000 1.071 303 V CA 0.047 61.852 62.300 -0.824 0.000 0.894 303 V CB 1.931 32.864 31.823 -1.483 0.000 1.008 303 V HN 0.598 nan 8.190 nan 0.000 0.425 304 T N 6.422 120.715 114.554 -0.435 0.000 3.031 304 T HA 0.401 5.385 4.350 1.057 0.000 0.305 304 T C -1.003 173.583 174.700 -0.189 0.000 0.985 304 T CA -0.162 61.836 62.100 -0.169 0.000 1.008 304 T CB 0.826 69.660 68.868 -0.058 0.000 1.005 304 T HN 0.777 nan 8.240 nan 0.000 0.444 305 W N 2.001 123.281 121.300 -0.033 0.000 2.181 305 W HA 0.469 5.762 4.660 1.056 0.000 0.335 305 W C 1.131 177.583 176.519 -0.112 0.000 1.310 305 W CA -0.173 57.145 57.345 -0.045 0.000 1.226 305 W CB 0.585 30.087 29.460 0.071 0.000 1.155 305 W HN 0.822 nan 8.180 nan 0.000 0.565 306 A N 1.595 124.368 122.820 -0.079 0.000 1.984 306 A HA 0.266 5.221 4.320 1.057 0.000 0.203 306 A C 0.704 178.267 177.584 -0.035 0.000 1.292 306 A CA 1.366 53.143 52.037 -0.433 0.000 0.782 306 A CB -0.222 17.963 19.000 -1.358 0.000 0.924 306 A HN 0.527 nan 8.150 nan 0.000 0.475 307 T N -5.630 109.000 114.554 0.126 0.000 2.671 307 T HA 0.323 5.307 4.350 1.057 0.000 0.300 307 T C 0.068 174.939 174.700 0.286 0.000 1.238 307 T CA -0.361 61.845 62.100 0.178 0.000 1.020 307 T CB 0.610 69.558 68.868 0.133 0.000 1.503 307 T HN -0.086 nan 8.240 nan 0.000 0.497 308 Q N 0.445 120.378 119.800 0.222 0.000 2.234 308 Q HA -0.053 4.921 4.340 1.057 0.000 0.206 308 Q C 1.047 177.294 176.000 0.411 0.000 0.980 308 Q CA 1.731 57.676 55.803 0.236 0.000 0.869 308 Q CB -0.209 28.637 28.738 0.180 0.000 0.912 308 Q HN 0.841 nan 8.270 nan 0.000 0.436 309 E N -0.555 119.879 120.200 0.390 0.000 2.714 309 E HA 0.198 5.183 4.350 1.057 0.000 0.219 309 E C -0.093 176.757 176.600 0.417 0.000 0.979 309 E CA -0.188 56.449 56.400 0.395 0.000 1.092 309 E CB 1.087 30.927 29.700 0.233 0.000 1.049 309 E HN -0.031 nan 8.360 nan 0.000 0.487 310 R N 1.630 122.380 120.500 0.417 0.000 2.513 310 R HA 0.526 5.500 4.340 1.057 0.000 0.301 310 R C -1.439 174.889 176.300 0.048 0.000 0.968 310 R CA -0.467 55.758 56.100 0.208 0.000 0.872 310 R CB 1.479 31.782 30.300 0.005 0.000 1.177 310 R HN 0.062 nan 8.270 nan 0.000 0.444 311 I N 2.546 123.000 120.570 -0.193 0.000 2.509 311 I HA 0.360 5.165 4.170 1.057 0.000 0.293 311 I C -0.607 175.207 176.117 -0.504 0.000 1.020 311 I CA -0.379 60.515 61.300 -0.678 0.000 1.088 311 I CB 2.070 39.231 38.000 -1.398 0.000 1.267 311 I HN 0.713 nan 8.210 nan 0.000 0.430 312 S N 7.246 122.646 115.700 -0.501 0.000 2.578 312 S HA 0.821 5.926 4.470 1.057 0.000 0.301 312 S C -1.121 173.179 174.600 -0.500 0.000 1.091 312 S CA -0.668 57.318 58.200 -0.357 0.000 1.032 312 S CB 1.958 65.073 63.200 -0.143 0.000 1.064 312 S HN 0.430 nan 8.310 nan 0.000 0.508 313 L N 1.656 122.603 121.223 -0.460 0.000 2.436 313 L HA 0.522 5.496 4.340 1.057 0.000 0.268 313 L C -0.442 176.136 176.870 -0.487 0.000 0.974 313 L CA -0.175 54.279 54.840 -0.644 0.000 0.826 313 L CB 2.085 43.658 42.059 -0.810 0.000 1.291 313 L HN 0.836 nan 8.230 nan 0.000 0.406 314 Q N 1.777 121.260 119.800 -0.529 0.000 2.293 314 Q HA 0.502 5.476 4.340 1.057 0.000 0.261 314 Q C -1.634 174.135 176.000 -0.385 0.000 0.960 314 Q CA -0.427 55.184 55.803 -0.320 0.000 0.882 314 Q CB 1.967 30.578 28.738 -0.212 0.000 1.275 314 Q HN 0.502 nan 8.270 nan 0.000 0.445 315 W N 2.678 123.948 121.300 -0.051 0.000 2.606 315 W HA 0.573 5.868 4.660 1.058 0.000 0.332 315 W C -0.907 175.660 176.519 0.080 0.000 1.052 315 W CA -0.671 56.693 57.345 0.031 0.000 1.223 315 W CB 1.096 30.556 29.460 0.000 0.000 1.383 315 W HN 0.369 nan 8.180 nan 0.000 0.524 316 L N 3.298 124.769 121.223 0.413 0.000 2.385 316 L HA 0.564 5.538 4.340 1.057 0.000 0.273 316 L C 0.018 177.074 176.870 0.310 0.000 0.990 316 L CA -1.105 53.931 54.840 0.327 0.000 0.821 316 L CB 1.186 43.426 42.059 0.302 0.000 1.279 316 L HN 0.401 nan 8.230 nan 0.000 0.412 317 R N 2.411 123.054 120.500 0.237 0.000 2.679 317 R HA 0.212 5.186 4.340 1.057 0.000 0.269 317 R C 1.018 177.332 176.300 0.023 0.000 1.076 317 R CA -0.143 56.027 56.100 0.117 0.000 1.160 317 R CB 0.548 30.901 30.300 0.089 0.000 1.054 317 R HN 0.646 nan 8.270 nan 0.000 0.507 318 R N 1.139 121.559 120.500 -0.133 0.000 2.120 318 R HA -0.050 4.925 4.340 1.057 0.000 0.234 318 R C 0.344 176.657 176.300 0.021 0.000 1.123 318 R CA 1.075 57.059 56.100 -0.193 0.000 0.975 318 R CB 0.206 30.372 30.300 -0.222 0.000 0.866 318 R HN 0.366 nan 8.270 nan 0.000 0.446 319 I N 2.726 123.309 120.570 0.022 0.000 2.322 319 I HA 0.011 4.816 4.170 1.057 0.000 0.292 319 I C 0.241 176.412 176.117 0.089 0.000 1.060 319 I CA 0.340 61.667 61.300 0.046 0.000 1.309 319 I CB 1.249 39.263 38.000 0.023 0.000 1.415 319 I HN 0.275 nan 8.210 nan 0.000 0.492 320 Q N 4.618 124.477 119.800 0.099 0.000 2.292 320 Q HA -0.023 4.951 4.340 1.057 0.000 0.235 320 Q C 0.610 176.694 176.000 0.141 0.000 0.910 320 Q CA 0.029 55.909 55.803 0.129 0.000 0.952 320 Q CB -0.235 28.552 28.738 0.082 0.000 1.089 320 Q HN 0.607 nan 8.270 nan 0.000 0.431 321 N N -0.767 118.015 118.700 0.136 0.000 2.203 321 N HA -0.045 5.329 4.740 1.057 0.000 0.207 321 N C -0.930 174.689 175.510 0.182 0.000 1.130 321 N CA -0.116 53.003 53.050 0.116 0.000 0.861 321 N CB 0.325 38.855 38.487 0.071 0.000 1.005 321 N HN 0.187 nan 8.380 nan 0.000 0.507 322 Y N 1.188 121.513 120.300 0.043 0.000 2.361 322 Y HA 0.539 5.723 4.550 1.056 0.000 0.328 322 Y C -1.062 174.875 175.900 0.063 0.000 1.044 322 Y CA -1.099 57.026 58.100 0.042 0.000 1.085 322 Y CB 1.454 39.929 38.460 0.025 0.000 1.194 322 Y HN 0.132 nan 8.280 nan 0.000 0.438 323 S N 4.443 120.080 115.700 -0.106 0.000 2.599 323 S HA 0.942 6.046 4.470 1.057 0.000 0.287 323 S C -1.995 172.538 174.600 -0.112 0.000 1.105 323 S CA -0.658 57.543 58.200 0.001 0.000 0.899 323 S CB 1.957 65.174 63.200 0.029 0.000 1.100 323 S HN 0.480 nan 8.310 nan 0.000 0.482 324 V N 2.675 122.616 119.914 0.045 0.000 2.760 324 V HA 0.565 5.319 4.120 1.057 0.000 0.309 324 V C -0.649 175.502 176.094 0.094 0.000 1.077 324 V CA -0.658 61.666 62.300 0.040 0.000 0.910 324 V CB 1.936 33.811 31.823 0.087 0.000 1.008 324 V HN 1.036 nan 8.190 nan 0.000 0.424 325 M N 3.518 123.145 119.600 0.044 0.000 2.227 325 M HA 0.574 5.688 4.480 1.057 0.000 0.335 325 M C -1.476 174.857 176.300 0.054 0.000 1.053 325 M CA -0.301 55.002 55.300 0.006 0.000 0.973 325 M CB 1.361 33.908 32.600 -0.088 0.000 1.623 325 M HN 0.614 nan 8.290 nan 0.000 0.434 326 D N 4.679 125.104 120.400 0.041 0.000 2.198 326 D HA 0.566 5.840 4.640 1.057 0.000 0.247 326 D C -1.109 175.182 176.300 -0.014 0.000 1.010 326 D CA -0.048 53.975 54.000 0.038 0.000 0.880 326 D CB 2.009 42.853 40.800 0.073 0.000 1.209 326 D HN 0.610 nan 8.370 nan 0.000 0.451 327 I N 2.132 122.714 120.570 0.020 0.000 2.439 327 I HA 0.255 5.059 4.170 1.057 0.000 0.283 327 I C -0.699 175.427 176.117 0.014 0.000 1.023 327 I CA -0.552 60.752 61.300 0.006 0.000 1.100 327 I CB 1.209 39.270 38.000 0.102 0.000 1.238 327 I HN 0.196 nan 8.210 nan 0.000 0.445 328 c N 3.677 122.277 118.600 0.000 0.000 2.351 328 c HA 0.565 5.769 4.570 1.057 0.000 0.326 328 c C -0.171 174.056 174.090 0.227 0.000 1.272 328 c CA -0.770 55.626 56.329 0.111 0.000 1.650 328 c CB 0.736 43.330 42.510 0.141 0.000 2.257 328 c HN 0.589 nan 8.230 nan 0.000 0.505 329 D N 0.141 120.636 120.400 0.158 0.000 2.198 329 D HA 0.347 5.621 4.640 1.057 0.000 0.247 329 D C -0.663 175.497 176.300 -0.233 0.000 1.010 329 D CA -0.230 53.795 54.000 0.042 0.000 0.880 329 D CB 0.732 41.525 40.800 -0.013 0.000 1.209 329 D HN 0.574 nan 8.370 nan 0.000 0.451 330 Y N 1.693 121.524 120.300 -0.782 0.000 2.377 330 Y HA 0.183 5.367 4.550 1.057 0.000 0.330 330 Y C -0.191 175.373 175.900 -0.559 0.000 1.108 330 Y CA -0.245 57.100 58.100 -1.259 0.000 1.308 330 Y CB 0.652 38.355 38.460 -1.263 0.000 1.216 330 Y HN 0.200 nan 8.280 nan 0.000 0.518 331 D N 5.727 125.510 120.400 -1.027 0.000 2.467 331 D HA 0.061 5.335 4.640 1.057 0.000 0.220 331 D C 0.808 176.513 176.300 -0.992 0.000 1.103 331 D CA -0.062 53.511 54.000 -0.711 0.000 0.886 331 D CB 0.687 41.243 40.800 -0.407 0.000 1.025 331 D HN 0.919 nan 8.370 nan 0.000 0.514 332 E N 1.886 121.590 120.200 -0.826 0.000 2.171 332 E HA -0.214 4.770 4.350 1.057 0.000 0.197 332 E C 1.398 177.831 176.600 -0.278 0.000 0.997 332 E CA 1.142 57.213 56.400 -0.549 0.000 0.810 332 E CB 0.325 29.907 29.700 -0.197 0.000 0.738 332 E HN 0.339 nan 8.360 nan 0.000 0.467 333 S N -1.161 114.404 115.700 -0.224 0.000 2.406 333 S HA -0.034 5.070 4.470 1.057 0.000 0.224 333 S C 2.043 176.576 174.600 -0.112 0.000 1.030 333 S CA 1.224 59.349 58.200 -0.124 0.000 0.958 333 S CB -0.119 63.023 63.200 -0.096 0.000 0.811 333 S HN 0.225 nan 8.310 nan 0.000 0.489 334 S N -0.667 114.935 115.700 -0.162 0.000 2.388 334 S HA 0.280 5.384 4.470 1.057 0.000 0.223 334 S C 1.537 176.088 174.600 -0.082 0.000 1.034 334 S CA 1.366 59.499 58.200 -0.113 0.000 0.963 334 S CB -0.460 62.663 63.200 -0.129 0.000 0.827 334 S HN 1.094 nan 8.310 nan 0.000 0.481 335 G N 1.349 110.048 108.800 -0.167 0.000 2.234 335 G HA2 -0.229 4.365 3.960 1.057 0.000 0.235 335 G HA3 -0.229 4.365 3.960 1.057 0.000 0.235 335 G C 0.293 175.255 174.900 0.103 0.000 0.997 335 G CA 0.274 45.384 45.100 0.016 0.000 0.623 335 G HN 0.638 nan 8.290 nan 0.000 0.514 336 R N -0.475 120.015 120.500 -0.016 0.000 2.527 336 R HA 0.637 5.611 4.340 1.057 0.000 0.243 336 R C -0.769 175.500 176.300 -0.052 0.000 1.206 336 R CA -0.671 55.488 56.100 0.098 0.000 1.134 336 R CB 0.342 30.696 30.300 0.091 0.000 1.347 336 R HN 0.238 nan 8.270 nan 0.000 0.580 337 W N 0.052 121.384 121.300 0.052 0.000 2.538 337 W HA 0.418 5.713 4.660 1.059 0.000 0.322 337 W C -0.737 175.774 176.519 -0.014 0.000 1.028 337 W CA -0.481 56.882 57.345 0.030 0.000 1.228 337 W CB 1.317 30.787 29.460 0.016 0.000 1.356 337 W HN 0.547 nan 8.180 nan 0.000 0.452 338 N N 1.982 120.745 118.700 0.105 0.000 2.362 338 N HA 0.528 5.903 4.740 1.057 0.000 0.298 338 N C -1.416 174.132 175.510 0.063 0.000 1.048 338 N CA -0.643 52.441 53.050 0.056 0.000 0.858 338 N CB 1.223 39.705 38.487 -0.008 0.000 1.218 338 N HN 0.189 nan 8.380 nan 0.000 0.488 339 c N 2.983 121.609 118.600 0.044 0.000 2.206 339 c HA 0.333 5.537 4.570 1.057 0.000 0.324 339 c C 0.500 174.594 174.090 0.007 0.000 1.120 339 c CA -1.059 55.288 56.329 0.030 0.000 1.546 339 c CB -1.419 41.103 42.510 0.019 0.000 2.023 339 c HN 0.620 nan 8.230 nan 0.000 0.448 340 L N 2.578 123.805 121.223 0.008 0.000 2.559 340 L HA -0.003 4.971 4.340 1.057 0.000 0.274 340 L C 1.673 178.534 176.870 -0.015 0.000 1.205 340 L CA 0.306 55.143 54.840 -0.005 0.000 0.907 340 L CB 0.655 42.714 42.059 -0.000 0.000 1.153 340 L HN 0.656 nan 8.230 nan 0.000 0.490 341 V N 4.703 124.600 119.914 -0.028 0.000 2.688 341 V HA -0.281 4.474 4.120 1.057 0.000 0.256 341 V C 2.217 178.278 176.094 -0.055 0.000 1.084 341 V CA 2.162 64.437 62.300 -0.041 0.000 1.103 341 V CB -0.035 31.764 31.823 -0.041 0.000 0.688 341 V HN 0.992 nan 8.190 nan 0.000 0.480 342 A N -0.331 122.462 122.820 -0.045 0.000 2.067 342 A HA -0.118 4.836 4.320 1.057 0.000 0.219 342 A C 2.272 179.809 177.584 -0.078 0.000 1.158 342 A CA 1.525 53.529 52.037 -0.055 0.000 0.661 342 A CB -0.462 18.519 19.000 -0.031 0.000 0.801 342 A HN 0.580 nan 8.150 nan 0.000 0.452 343 R N -0.807 119.667 120.500 -0.044 0.000 2.317 343 R HA 0.123 5.097 4.340 1.057 0.000 0.208 343 R C 0.665 176.936 176.300 -0.049 0.000 0.914 343 R CA -0.100 56.003 56.100 0.004 0.000 1.060 343 R CB 0.080 30.431 30.300 0.085 0.000 1.015 343 R HN 0.641 nan 8.270 nan 0.000 0.498 344 Q N 0.565 120.285 119.800 -0.134 0.000 2.304 344 Q HA 0.056 5.030 4.340 1.057 0.000 0.260 344 Q C -1.194 174.649 176.000 -0.262 0.000 0.965 344 Q CA 0.075 55.818 55.803 -0.100 0.000 0.898 344 Q CB 0.615 29.313 28.738 -0.067 0.000 1.196 344 Q HN 0.227 nan 8.270 nan 0.000 0.402 345 H N 2.773 121.848 119.070 0.008 0.000 2.529 345 H HA 0.436 5.626 4.556 1.057 0.000 0.348 345 H C -0.907 174.397 175.328 -0.040 0.000 1.079 345 H CA -0.512 55.543 56.048 0.013 0.000 1.198 345 H CB 1.257 31.029 29.762 0.018 0.000 1.521 345 H HN 0.537 nan 8.280 nan 0.000 0.514 346 I N 1.892 122.489 120.570 0.046 0.000 2.392 346 I HA 0.237 5.042 4.170 1.057 0.000 0.295 346 I C -0.072 175.997 176.117 -0.081 0.000 0.985 346 I CA -0.191 61.042 61.300 -0.112 0.000 1.221 346 I CB 1.339 39.215 38.000 -0.207 0.000 1.366 346 I HN 0.568 nan 8.210 nan 0.000 0.467 347 E N 7.947 128.049 120.200 -0.163 0.000 2.241 347 E HA 0.646 5.630 4.350 1.057 0.000 0.263 347 E C -1.298 175.202 176.600 -0.166 0.000 0.882 347 E CA -0.704 55.647 56.400 -0.083 0.000 0.769 347 E CB 1.465 31.149 29.700 -0.027 0.000 1.185 347 E HN 0.619 nan 8.360 nan 0.000 0.415 348 M N 1.201 120.738 119.600 -0.106 0.000 2.716 348 M HA 0.647 5.761 4.480 1.057 0.000 0.278 348 M C -1.110 175.183 176.300 -0.011 0.000 1.281 348 M CA -0.934 54.326 55.300 -0.066 0.000 0.814 348 M CB 2.242 34.812 32.600 -0.049 0.000 1.719 348 M HN 0.222 nan 8.290 nan 0.000 0.457 349 S N -0.861 114.842 115.700 0.004 0.000 2.549 349 S HA 0.656 5.760 4.470 1.057 0.000 0.280 349 S C 0.028 174.613 174.600 -0.024 0.000 1.109 349 S CA 0.116 58.300 58.200 -0.026 0.000 0.905 349 S CB 1.902 65.051 63.200 -0.085 0.000 1.081 349 S HN 0.999 nan 8.310 nan 0.000 0.477 350 T N -0.600 113.935 114.554 -0.031 0.000 2.990 350 T HA 0.103 5.087 4.350 1.057 0.000 0.250 350 T C 1.461 176.128 174.700 -0.056 0.000 1.041 350 T CA 0.836 62.921 62.100 -0.025 0.000 1.010 350 T CB -0.411 68.453 68.868 -0.006 0.000 1.003 350 T HN 0.692 nan 8.240 nan 0.000 0.499 351 T N -1.739 112.764 114.554 -0.086 0.000 3.057 351 T HA 0.597 5.581 4.350 1.057 0.000 0.254 351 T C 1.204 175.697 174.700 -0.346 0.000 1.094 351 T CA 0.470 62.511 62.100 -0.099 0.000 1.088 351 T CB 0.286 69.182 68.868 0.046 0.000 0.934 351 T HN 0.649 nan 8.240 nan 0.000 0.497 352 G N 0.386 108.835 108.800 -0.584 0.000 2.619 352 G HA2 0.459 5.053 3.960 1.057 0.000 0.146 352 G HA3 0.459 5.053 3.960 1.057 0.000 0.146 352 G C -1.640 172.984 174.900 -0.459 0.000 1.192 352 G CA -0.520 44.058 45.100 -0.870 0.000 1.063 352 G HN 0.492 nan 8.290 nan 0.000 0.538 353 W N 0.174 121.224 121.300 -0.417 0.000 2.353 353 W HA 0.744 6.044 4.660 1.067 0.000 0.377 353 W C -0.315 176.155 176.519 -0.083 0.000 1.375 353 W CA -1.287 55.943 57.345 -0.193 0.000 1.503 353 W CB 0.627 29.955 29.460 -0.220 0.000 1.345 353 W HN 0.281 nan 8.180 nan 0.000 0.683 354 V N 2.865 122.855 119.914 0.127 0.000 2.407 354 V HA 0.738 5.493 4.120 1.057 0.000 0.278 354 V C 0.728 176.900 176.094 0.129 0.000 1.037 354 V CA 0.085 62.421 62.300 0.060 0.000 0.900 354 V CB -0.094 31.767 31.823 0.064 0.000 0.983 354 V HN 1.345 nan 8.190 nan 0.000 0.459 355 G N 4.738 113.572 108.800 0.057 0.000 2.781 355 G HA2 -0.178 4.416 3.960 1.057 0.000 0.683 355 G HA3 -0.178 4.416 3.960 1.057 0.000 0.683 355 G C 0.301 175.293 174.900 0.153 0.000 1.390 355 G CA 0.114 45.273 45.100 0.098 0.000 0.850 355 G HN 0.656 nan 8.290 nan 0.000 0.557 356 R N -0.516 120.066 120.500 0.135 0.000 2.070 356 R HA 0.048 5.022 4.340 1.057 0.000 0.233 356 R C 1.894 178.188 176.300 -0.010 0.000 1.137 356 R CA 2.279 58.425 56.100 0.077 0.000 0.945 356 R CB -0.109 30.260 30.300 0.116 0.000 0.845 356 R HN 0.497 nan 8.270 nan 0.000 0.430 357 F N -1.084 118.998 119.950 0.220 0.000 2.831 357 F HA 0.258 5.426 4.527 1.068 0.000 0.334 357 F C 0.247 176.068 175.800 0.035 0.000 1.071 357 F CA -0.475 57.598 58.000 0.121 0.000 1.172 357 F CB 0.803 39.866 39.000 0.105 0.000 1.054 357 F HN -0.093 nan 8.300 nan 0.000 0.572 358 R N -1.448 119.185 120.500 0.221 0.000 2.765 358 R HA 0.392 5.366 4.340 1.057 0.000 0.277 358 R C -3.369 172.991 176.300 0.100 0.000 1.028 358 R CA -1.891 54.268 56.100 0.099 0.000 0.860 358 R CB 0.046 30.351 30.300 0.007 0.000 1.270 358 R HN -0.364 nan 8.270 nan 0.000 0.484 359 P HA -0.022 nan 4.420 nan 0.000 0.265 359 P C -0.126 177.194 177.300 0.034 0.000 1.193 359 P CA 0.090 63.213 63.100 0.038 0.000 0.765 359 P CB 0.805 32.504 31.700 -0.001 0.000 0.823 360 S N 1.872 117.602 115.700 0.051 0.000 2.598 360 S HA 0.062 5.166 4.470 1.057 0.000 0.256 360 S C 0.110 174.716 174.600 0.010 0.000 1.350 360 S CA -0.511 57.729 58.200 0.067 0.000 0.984 360 S CB 0.350 63.610 63.200 0.099 0.000 0.930 360 S HN 0.595 nan 8.310 nan 0.000 0.577 361 E N 1.143 121.361 120.200 0.030 0.000 2.214 361 E HA 0.429 5.413 4.350 1.057 0.000 0.274 361 E C -2.779 173.765 176.600 -0.093 0.000 0.977 361 E CA -2.374 53.989 56.400 -0.061 0.000 0.827 361 E CB 1.448 31.116 29.700 -0.053 0.000 1.130 361 E HN 0.512 nan 8.360 nan 0.000 0.394 362 P HA 0.200 nan 4.420 nan 0.000 0.282 362 P C -0.942 176.186 177.300 -0.287 0.000 1.249 362 P CA -0.264 62.613 63.100 -0.372 0.000 0.806 362 P CB 0.839 31.956 31.700 -0.971 0.000 0.984 363 H N 2.227 121.262 119.070 -0.058 0.000 2.762 363 H HA 0.288 5.477 4.556 1.056 0.000 0.310 363 H C -0.294 175.141 175.328 0.177 0.000 1.004 363 H CA -0.343 55.780 56.048 0.124 0.000 1.267 363 H CB 0.308 30.173 29.762 0.172 0.000 1.437 363 H HN 0.319 nan 8.280 nan 0.000 0.498 364 F N 1.858 121.992 119.950 0.306 0.000 2.389 364 F HA 0.062 5.223 4.527 1.056 0.000 0.337 364 F C 1.608 177.602 175.800 0.323 0.000 1.112 364 F CA -0.424 57.772 58.000 0.326 0.000 1.192 364 F CB 0.979 40.108 39.000 0.215 0.000 1.185 364 F HN 0.365 nan 8.300 nan 0.000 0.552 365 T N 0.830 115.695 114.554 0.518 0.000 2.813 365 T HA 0.076 5.060 4.350 1.057 0.000 0.297 365 T C 1.309 176.201 174.700 0.320 0.000 1.036 365 T CA -0.913 61.423 62.100 0.392 0.000 1.044 365 T CB 0.734 69.824 68.868 0.370 0.000 0.993 365 T HN 0.464 nan 8.240 nan 0.000 0.535 366 L N 1.648 123.013 121.223 0.237 0.000 2.030 366 L HA -0.177 4.797 4.340 1.057 0.000 0.222 366 L C 2.297 179.274 176.870 0.178 0.000 1.082 366 L CA 2.555 57.507 54.840 0.188 0.000 0.785 366 L CB -1.554 40.592 42.059 0.145 0.000 0.895 366 L HN 1.003 nan 8.230 nan 0.000 0.439 367 D N -1.901 118.605 120.400 0.176 0.000 2.363 367 D HA 0.009 5.283 4.640 1.057 0.000 0.220 367 D C 1.538 177.937 176.300 0.165 0.000 0.994 367 D CA 0.903 54.994 54.000 0.152 0.000 0.890 367 D CB -0.391 40.489 40.800 0.133 0.000 0.906 367 D HN 0.447 nan 8.370 nan 0.000 0.530 368 G N 0.848 109.786 108.800 0.229 0.000 2.153 368 G HA2 -0.363 4.232 3.960 1.057 0.000 0.252 368 G HA3 -0.363 4.232 3.960 1.057 0.000 0.252 368 G C 0.568 175.650 174.900 0.302 0.000 0.994 368 G CA 0.444 45.684 45.100 0.233 0.000 0.698 368 G HN 0.480 nan 8.290 nan 0.000 0.521 369 N N -0.062 118.806 118.700 0.280 0.000 2.280 369 N HA 0.371 5.745 4.740 1.057 0.000 0.192 369 N C 0.636 176.275 175.510 0.215 0.000 1.109 369 N CA 0.665 53.852 53.050 0.229 0.000 0.855 369 N CB 0.603 39.174 38.487 0.141 0.000 0.974 369 N HN 0.712 nan 8.380 nan 0.000 0.482 370 S N -0.362 115.512 115.700 0.290 0.000 2.625 370 S HA 0.765 5.869 4.470 1.057 0.000 0.271 370 S C -1.307 173.390 174.600 0.162 0.000 1.161 370 S CA -1.076 57.163 58.200 0.064 0.000 0.820 370 S CB 1.489 64.681 63.200 -0.014 0.000 1.137 370 S HN 0.149 nan 8.310 nan 0.000 0.470 371 F N -2.138 117.706 119.950 -0.176 0.000 2.741 371 F HA 0.798 5.959 4.527 1.058 0.000 0.311 371 F C -2.358 173.284 175.800 -0.264 0.000 1.149 371 F CA -1.546 56.280 58.000 -0.290 0.000 0.930 371 F CB 0.401 38.805 39.000 -0.994 0.000 1.312 371 F HN 0.615 nan 8.300 nan 0.000 0.450 372 Y N 1.114 121.582 120.300 0.280 0.000 2.409 372 Y HA 0.742 5.926 4.550 1.056 0.000 0.339 372 Y C -0.244 175.816 175.900 0.267 0.000 1.033 372 Y CA -0.953 57.288 58.100 0.236 0.000 1.094 372 Y CB 2.263 40.789 38.460 0.110 0.000 1.210 372 Y HN 0.752 nan 8.280 nan 0.000 0.456 373 K N 2.447 123.073 120.400 0.378 0.000 2.543 373 K HA 0.539 5.493 4.320 1.057 0.000 0.255 373 K C -1.728 175.006 176.600 0.223 0.000 0.934 373 K CA -0.526 55.923 56.287 0.270 0.000 0.810 373 K CB 1.611 34.224 32.500 0.188 0.000 1.315 373 K HN 0.693 nan 8.250 nan 0.000 0.433 374 I N 6.373 127.046 120.570 0.172 0.000 2.396 374 I HA 0.279 5.084 4.170 1.057 0.000 0.289 374 I C 0.125 176.330 176.117 0.146 0.000 1.056 374 I CA -0.289 61.095 61.300 0.140 0.000 1.365 374 I CB 0.313 38.375 38.000 0.103 0.000 1.407 374 I HN 0.494 nan 8.210 nan 0.000 0.509 375 I N 2.002 122.688 120.570 0.194 0.000 2.994 375 I HA 0.487 5.291 4.170 1.057 0.000 0.306 375 I C -0.287 175.947 176.117 0.195 0.000 1.195 375 I CA -0.784 60.628 61.300 0.186 0.000 1.001 375 I CB 2.132 40.268 38.000 0.227 0.000 1.244 375 I HN 0.323 nan 8.210 nan 0.000 0.437 376 S N 2.396 118.153 115.700 0.095 0.000 2.549 376 S HA 0.231 5.335 4.470 1.057 0.000 0.283 376 S C 0.173 174.791 174.600 0.031 0.000 1.320 376 S CA -0.194 58.006 58.200 0.000 0.000 1.058 376 S CB -0.083 63.071 63.200 -0.076 0.000 0.882 376 S HN 0.677 nan 8.310 nan 0.000 0.498 377 N N 1.933 120.547 118.700 -0.143 0.000 2.288 377 N HA 0.094 5.468 4.740 1.057 0.000 0.237 377 N C 0.971 176.378 175.510 -0.173 0.000 1.311 377 N CA -0.136 52.704 53.050 -0.351 0.000 0.909 377 N CB 0.370 38.677 38.487 -0.300 0.000 1.167 377 N HN 0.724 nan 8.380 nan 0.000 0.476 378 E N 0.059 120.144 120.200 -0.192 0.000 2.216 378 E HA -0.024 4.961 4.350 1.057 0.000 0.192 378 E C 0.668 177.217 176.600 -0.085 0.000 0.988 378 E CA 0.902 57.248 56.400 -0.090 0.000 0.834 378 E CB 0.126 29.785 29.700 -0.070 0.000 0.772 378 E HN 0.446 nan 8.360 nan 0.000 0.479 379 E N -0.883 119.260 120.200 -0.095 0.000 2.489 379 E HA 0.036 5.020 4.350 1.057 0.000 0.193 379 E C 0.569 177.163 176.600 -0.011 0.000 1.057 379 E CA 0.585 56.977 56.400 -0.012 0.000 0.866 379 E CB 0.322 30.039 29.700 0.029 0.000 0.916 379 E HN 0.359 nan 8.360 nan 0.000 0.500 380 G N 0.779 109.512 108.800 -0.111 0.000 2.141 380 G HA2 -0.277 4.317 3.960 1.057 0.000 0.242 380 G HA3 -0.277 4.317 3.960 1.057 0.000 0.242 380 G C -0.253 174.383 174.900 -0.441 0.000 0.982 380 G CA 0.247 45.188 45.100 -0.265 0.000 0.662 380 G HN 0.197 nan 8.290 nan 0.000 0.527 381 Y N 0.184 120.351 120.300 -0.222 0.000 2.342 381 Y HA 0.657 5.841 4.550 1.058 0.000 0.334 381 Y C 1.122 176.829 175.900 -0.320 0.000 1.067 381 Y CA -0.944 57.001 58.100 -0.259 0.000 1.128 381 Y CB 1.052 39.379 38.460 -0.222 0.000 1.200 381 Y HN 0.090 nan 8.280 nan 0.000 0.464 382 R N 3.582 123.915 120.500 -0.280 0.000 2.316 382 R HA 0.263 5.237 4.340 1.057 0.000 0.314 382 R C -0.728 175.257 176.300 -0.525 0.000 1.069 382 R CA 0.039 55.988 56.100 -0.251 0.000 0.959 382 R CB 0.096 30.309 30.300 -0.143 0.000 0.987 382 R HN 0.658 nan 8.270 nan 0.000 0.446 383 H N 1.680 120.718 119.070 -0.053 0.000 2.949 383 H HA 0.348 5.539 4.556 1.058 0.000 0.356 383 H C -0.178 175.209 175.328 0.098 0.000 1.212 383 H CA -0.908 55.089 56.048 -0.085 0.000 1.136 383 H CB 1.519 31.148 29.762 -0.222 0.000 1.869 383 H HN 0.318 nan 8.280 nan 0.000 0.556 384 I N 1.229 121.884 120.570 0.143 0.000 2.416 384 I HA 0.076 4.880 4.170 1.057 0.000 0.288 384 I C 0.229 176.395 176.117 0.082 0.000 1.051 384 I CA 0.062 61.415 61.300 0.088 0.000 1.375 384 I CB 0.474 38.442 38.000 -0.054 0.000 1.407 384 I HN 0.135 nan 8.210 nan 0.000 0.516 385 c N 7.159 125.757 118.600 -0.002 0.000 2.455 385 c HA 0.423 5.628 4.570 1.057 0.000 0.320 385 c C -0.422 173.569 174.090 -0.165 0.000 1.226 385 c CA -0.526 55.595 56.329 -0.347 0.000 1.569 385 c CB 1.056 43.122 42.510 -0.741 0.000 2.200 385 c HN 0.637 nan 8.230 nan 0.000 0.491 386 Y N 4.768 124.772 120.300 -0.494 0.000 2.327 386 Y HA 0.674 5.858 4.550 1.056 0.000 0.336 386 Y C -1.066 174.421 175.900 -0.688 0.000 1.035 386 Y CA -0.765 56.970 58.100 -0.608 0.000 1.165 386 Y CB 0.246 38.422 38.460 -0.473 0.000 1.181 386 Y HN 0.607 nan 8.280 nan 0.000 0.494 387 F N 3.373 122.688 119.950 -1.059 0.000 2.546 387 F HA 0.470 5.632 4.527 1.057 0.000 0.320 387 F C -0.329 174.766 175.800 -1.175 0.000 1.076 387 F CA -0.986 56.295 58.000 -1.198 0.000 0.928 387 F CB 1.767 39.691 39.000 -1.793 0.000 1.189 387 F HN 0.284 nan 8.300 nan 0.000 0.465 388 Q N 2.049 121.529 119.800 -0.532 0.000 2.271 388 Q HA 0.380 5.354 4.340 1.057 0.000 0.258 388 Q C 1.087 177.046 176.000 -0.069 0.000 0.936 388 Q CA -0.282 55.325 55.803 -0.326 0.000 0.909 388 Q CB 1.443 30.035 28.738 -0.243 0.000 1.253 388 Q HN 0.691 nan 8.270 nan 0.000 0.440 389 I N -0.573 120.046 120.570 0.082 0.000 2.399 389 I HA -0.183 4.621 4.170 1.057 0.000 0.254 389 I C 0.491 176.801 176.117 0.322 0.000 1.146 389 I CA 1.677 63.185 61.300 0.347 0.000 1.412 389 I CB -0.033 38.188 38.000 0.369 0.000 1.076 389 I HN 0.484 nan 8.210 nan 0.000 0.432 390 D N 0.970 121.458 120.400 0.147 0.000 2.501 390 D HA 0.137 5.411 4.640 1.057 0.000 0.224 390 D C 0.246 176.557 176.300 0.017 0.000 1.202 390 D CA -0.298 53.738 54.000 0.060 0.000 0.829 390 D CB 0.122 40.943 40.800 0.034 0.000 1.023 390 D HN 0.391 nan 8.370 nan 0.000 0.499 391 K N 0.906 121.337 120.400 0.051 0.000 2.450 391 K HA 0.217 5.171 4.320 1.057 0.000 0.257 391 K C 0.963 177.599 176.600 0.059 0.000 0.953 391 K CA -0.662 55.623 56.287 -0.003 0.000 0.844 391 K CB 1.434 33.889 32.500 -0.075 0.000 1.103 391 K HN -0.408 nan 8.250 nan 0.000 0.429 392 K N 1.246 121.647 120.400 0.002 0.000 2.063 392 K HA -0.078 4.876 4.320 1.057 0.000 0.208 392 K C -0.115 176.503 176.600 0.030 0.000 1.048 392 K CA 1.362 57.668 56.287 0.033 0.000 0.928 392 K CB -0.005 32.479 32.500 -0.026 0.000 0.713 392 K HN 0.683 nan 8.250 nan 0.000 0.442 393 D N 0.507 120.855 120.400 -0.086 0.000 2.210 393 D HA 0.085 5.359 4.640 1.057 0.000 0.249 393 D C 0.247 176.306 176.300 -0.402 0.000 1.078 393 D CA -0.195 53.690 54.000 -0.193 0.000 0.875 393 D CB 1.387 42.099 40.800 -0.147 0.000 1.175 393 D HN 0.185 nan 8.370 nan 0.000 0.440 394 c N 0.538 118.736 118.600 -0.670 0.000 2.354 394 c HA 0.821 6.026 4.570 1.057 0.000 0.381 394 c C 0.194 173.881 174.090 -0.670 0.000 1.240 394 c CA -0.537 55.195 56.329 -0.994 0.000 2.089 394 c CB 1.042 42.370 42.510 -1.971 0.000 2.234 394 c HN 0.488 nan 8.230 nan 0.000 0.544 395 T N 1.321 115.518 114.554 -0.595 0.000 2.841 395 T HA 0.496 5.480 4.350 1.057 0.000 0.285 395 T C -0.765 173.695 174.700 -0.400 0.000 0.991 395 T CA 0.122 62.019 62.100 -0.339 0.000 0.966 395 T CB 0.525 69.345 68.868 -0.080 0.000 0.962 395 T HN 0.480 nan 8.240 nan 0.000 0.438 396 F N 2.878 122.724 119.950 -0.174 0.000 2.471 396 F HA 0.285 5.446 4.527 1.056 0.000 0.353 396 F C 1.680 177.310 175.800 -0.283 0.000 1.113 396 F CA -0.787 57.092 58.000 -0.201 0.000 1.262 396 F CB 0.513 39.397 39.000 -0.194 0.000 1.146 396 F HN 0.588 nan 8.300 nan 0.000 0.578 397 I N -1.187 119.244 120.570 -0.232 0.000 4.070 397 I HA 0.240 5.044 4.170 1.057 0.000 0.328 397 I C 0.200 176.149 176.117 -0.280 0.000 1.298 397 I CA 0.092 61.033 61.300 -0.597 0.000 1.173 397 I CB 0.216 37.576 38.000 -1.066 0.000 1.051 397 I HN 0.498 nan 8.210 nan 0.000 0.409 398 T N 0.393 114.841 114.554 -0.176 0.000 2.906 398 T HA 0.795 5.780 4.350 1.057 0.000 0.295 398 T C -0.690 173.639 174.700 -0.617 0.000 1.061 398 T CA -0.574 61.404 62.100 -0.204 0.000 1.000 398 T CB 2.648 71.463 68.868 -0.087 0.000 1.103 398 T HN 0.385 nan 8.240 nan 0.000 0.486 399 K N -0.229 119.639 120.400 -0.887 0.000 2.578 399 K HA 0.910 5.864 4.320 1.057 0.000 0.287 399 K C -0.191 175.755 176.600 -1.090 0.000 1.010 399 K CA -0.239 55.286 56.287 -1.270 0.000 0.889 399 K CB 0.930 33.074 32.500 -0.594 0.000 1.514 399 K HN 1.717 nan 8.250 nan 0.000 0.424 400 G N -0.451 107.787 108.800 -0.936 0.000 2.392 400 G HA2 0.170 4.765 3.960 1.057 0.000 0.677 400 G HA3 0.170 4.765 3.960 1.057 0.000 0.677 400 G C -0.835 173.528 174.900 -0.895 0.000 1.334 400 G CA -0.412 44.287 45.100 -0.669 0.000 0.961 400 G HN 1.408 nan 8.290 nan 0.000 0.616 401 T N -0.227 113.944 114.554 -0.638 0.000 3.945 401 T HA 0.580 5.564 4.350 1.057 0.000 0.306 401 T C 0.257 174.809 174.700 -0.247 0.000 1.475 401 T CA 0.582 62.093 62.100 -0.983 0.000 1.177 401 T CB -0.845 67.669 68.868 -0.591 0.000 1.272 401 T HN 1.608 nan 8.240 nan 0.000 0.930 402 W N -0.016 121.190 121.300 -0.157 0.000 2.881 402 W HA 0.622 5.915 4.660 1.055 0.000 0.380 402 W C -1.510 175.039 176.519 0.050 0.000 1.170 402 W CA -0.989 56.378 57.345 0.036 0.000 1.171 402 W CB 0.613 30.072 29.460 -0.003 0.000 1.464 402 W HN 0.270 nan 8.180 nan 0.000 0.574 403 E N 0.643 121.062 120.200 0.366 0.000 2.367 403 E HA 0.439 5.423 4.350 1.057 0.000 0.273 403 E C -1.273 175.455 176.600 0.213 0.000 0.903 403 E CA -1.183 55.224 56.400 0.012 0.000 0.764 403 E CB 3.331 33.039 29.700 0.013 0.000 1.252 403 E HN 0.157 nan 8.360 nan 0.000 0.446 404 V N 3.725 123.626 119.914 -0.022 0.000 2.455 404 V HA -0.004 4.750 4.120 1.057 0.000 0.273 404 V C 1.319 177.487 176.094 0.124 0.000 1.045 404 V CA 0.025 62.387 62.300 0.103 0.000 0.976 404 V CB 0.383 32.151 31.823 -0.092 0.000 0.993 404 V HN 0.705 nan 8.190 nan 0.000 0.475 405 I N 3.419 124.094 120.570 0.175 0.000 2.286 405 I HA 0.161 4.965 4.170 1.057 0.000 0.245 405 I C 1.140 177.359 176.117 0.170 0.000 1.104 405 I CA 1.361 62.753 61.300 0.154 0.000 1.397 405 I CB -0.773 37.261 38.000 0.056 0.000 1.072 405 I HN 0.762 nan 8.210 nan 0.000 0.417 406 G N 0.443 109.344 108.800 0.169 0.000 2.579 406 G HA2 0.488 5.082 3.960 1.057 0.000 0.292 406 G HA3 0.488 5.082 3.960 1.057 0.000 0.292 406 G C -1.208 173.775 174.900 0.139 0.000 1.484 406 G CA -0.631 44.566 45.100 0.163 0.000 0.813 406 G HN -0.033 nan 8.290 nan 0.000 0.515 407 I N 1.690 122.290 120.570 0.049 0.000 2.352 407 I HA 0.217 5.021 4.170 1.057 0.000 0.290 407 I C 0.785 176.828 176.117 -0.123 0.000 1.036 407 I CA -0.530 60.687 61.300 -0.139 0.000 1.336 407 I CB 1.624 39.300 38.000 -0.539 0.000 1.407 407 I HN 0.487 nan 8.210 nan 0.000 0.497 408 E N 4.993 125.182 120.200 -0.018 0.000 2.216 408 E HA 0.288 5.272 4.350 1.057 0.000 0.192 408 E C 0.202 176.720 176.600 -0.137 0.000 0.973 408 E CA 0.279 56.706 56.400 0.046 0.000 0.851 408 E CB 0.577 30.392 29.700 0.192 0.000 0.804 408 E HN 0.685 nan 8.360 nan 0.000 0.477 409 A N 0.465 123.105 122.820 -0.300 0.000 2.582 409 A HA 0.574 5.528 4.320 1.057 0.000 0.297 409 A C -1.710 175.757 177.584 -0.196 0.000 1.059 409 A CA -0.599 51.183 52.037 -0.426 0.000 0.705 409 A CB 1.082 19.294 19.000 -1.312 0.000 1.279 409 A HN 0.083 nan 8.150 nan 0.000 0.404 410 L N 2.782 123.946 121.223 -0.098 0.000 2.376 410 L HA 0.723 5.697 4.340 1.057 0.000 0.275 410 L C 0.226 177.108 176.870 0.019 0.000 0.987 410 L CA -0.172 54.649 54.840 -0.032 0.000 0.828 410 L CB 2.041 44.122 42.059 0.037 0.000 1.249 410 L HN 1.134 nan 8.230 nan 0.000 0.409 411 T N -0.926 113.658 114.554 0.050 0.000 2.841 411 T HA 0.272 5.256 4.350 1.057 0.000 0.276 411 T C 1.120 175.856 174.700 0.060 0.000 1.003 411 T CA 0.057 62.202 62.100 0.075 0.000 0.995 411 T CB 1.542 70.490 68.868 0.133 0.000 1.260 411 T HN 0.564 nan 8.240 nan 0.000 0.581 412 S N -0.749 114.988 115.700 0.061 0.000 2.489 412 S HA -0.033 5.071 4.470 1.057 0.000 0.228 412 S C 0.957 175.543 174.600 -0.024 0.000 0.995 412 S CA 0.602 58.826 58.200 0.041 0.000 0.934 412 S CB -0.462 62.767 63.200 0.049 0.000 0.771 412 S HN 0.674 nan 8.310 nan 0.000 0.522 413 D N -0.034 120.343 120.400 -0.038 0.000 2.320 413 D HA 0.225 5.499 4.640 1.057 0.000 0.228 413 D C -0.247 175.775 176.300 -0.462 0.000 0.978 413 D CA 0.930 54.795 54.000 -0.225 0.000 0.905 413 D CB 0.158 40.919 40.800 -0.064 0.000 1.051 413 D HN 0.416 nan 8.370 nan 0.000 0.471 414 Y N -0.534 119.708 120.300 -0.097 0.000 2.605 414 Y HA 0.509 5.693 4.550 1.057 0.000 0.343 414 Y C -0.458 175.274 175.900 -0.279 0.000 1.036 414 Y CA -1.023 56.937 58.100 -0.234 0.000 1.065 414 Y CB 2.275 40.489 38.460 -0.410 0.000 1.288 414 Y HN -0.246 nan 8.280 nan 0.000 0.481 415 L N 1.895 123.002 121.223 -0.195 0.000 2.356 415 L HA 0.593 5.567 4.340 1.057 0.000 0.277 415 L C -1.929 174.795 176.870 -0.244 0.000 0.996 415 L CA -0.589 54.112 54.840 -0.232 0.000 0.822 415 L CB 0.882 42.701 42.059 -0.400 0.000 1.256 415 L HN 0.583 nan 8.230 nan 0.000 0.413 416 Y N 4.900 125.100 120.300 -0.166 0.000 2.330 416 Y HA 0.542 5.726 4.550 1.057 0.000 0.336 416 Y C -0.410 175.476 175.900 -0.023 0.000 1.036 416 Y CA -0.284 57.718 58.100 -0.164 0.000 1.125 416 Y CB 1.269 39.518 38.460 -0.351 0.000 1.194 416 Y HN 0.541 nan 8.280 nan 0.000 0.469 417 Y N 0.280 120.618 120.300 0.065 0.000 2.625 417 Y HA 0.804 5.988 4.550 1.056 0.000 0.338 417 Y C -1.709 174.264 175.900 0.122 0.000 1.123 417 Y CA -1.995 56.142 58.100 0.061 0.000 1.046 417 Y CB 1.128 39.603 38.460 0.025 0.000 1.299 417 Y HN 0.432 nan 8.280 nan 0.000 0.464 418 I N 2.859 123.629 120.570 0.334 0.000 2.460 418 I HA 0.657 5.461 4.170 1.057 0.000 0.298 418 I C -0.406 175.918 176.117 0.346 0.000 0.989 418 I CA -0.517 60.919 61.300 0.227 0.000 1.173 418 I CB 2.041 40.107 38.000 0.110 0.000 1.338 418 I HN 0.885 nan 8.210 nan 0.000 0.456 419 S N 3.209 119.078 115.700 0.283 0.000 2.596 419 S HA 0.358 5.462 4.470 1.057 0.000 0.270 419 S C -0.696 173.982 174.600 0.130 0.000 1.155 419 S CA -0.902 57.451 58.200 0.256 0.000 0.827 419 S CB 1.660 65.049 63.200 0.316 0.000 1.130 419 S HN 0.647 nan 8.310 nan 0.000 0.467 420 N N 0.139 118.910 118.700 0.118 0.000 2.376 420 N HA 0.143 5.517 4.740 1.057 0.000 0.249 420 N C 0.600 176.115 175.510 0.007 0.000 1.140 420 N CA -0.184 52.892 53.050 0.045 0.000 0.870 420 N CB 0.264 38.763 38.487 0.019 0.000 1.124 420 N HN 0.827 nan 8.380 nan 0.000 0.505 421 E N 0.009 120.094 120.200 -0.192 0.000 2.047 421 E HA -0.213 4.771 4.350 1.057 0.000 0.191 421 E C -0.294 176.186 176.600 -0.199 0.000 0.987 421 E CA 0.296 56.346 56.400 -0.584 0.000 0.799 421 E CB -0.130 28.591 29.700 -1.631 0.000 0.752 421 E HN 0.384 nan 8.360 nan 0.000 0.449 422 Y N 1.689 121.916 120.300 -0.122 0.000 2.944 422 Y HA -0.167 5.017 4.550 1.056 0.000 0.340 422 Y C 0.527 176.390 175.900 -0.061 0.000 1.275 422 Y CA 1.069 59.133 58.100 -0.061 0.000 1.590 422 Y CB 0.157 38.599 38.460 -0.029 0.000 1.218 422 Y HN 0.140 nan 8.280 nan 0.000 0.576 423 K N 3.225 123.308 120.400 -0.530 0.000 3.274 423 K HA -0.226 4.729 4.320 1.057 0.000 0.305 423 K C 0.792 177.300 176.600 -0.153 0.000 1.225 423 K CA 1.293 57.336 56.287 -0.407 0.000 0.904 423 K CB -1.584 30.650 32.500 -0.443 0.000 1.227 423 K HN 1.360 nan 8.250 nan 0.000 0.453 424 G N 0.225 108.956 108.800 -0.114 0.000 2.233 424 G HA2 -0.348 4.246 3.960 1.057 0.000 0.270 424 G HA3 -0.348 4.246 3.960 1.057 0.000 0.270 424 G C 0.017 174.873 174.900 -0.073 0.000 1.011 424 G CA 0.882 45.958 45.100 -0.040 0.000 0.762 424 G HN 0.433 nan 8.290 nan 0.000 0.511 425 M N -0.779 118.709 119.600 -0.185 0.000 2.055 425 M HA 0.401 5.515 4.480 1.057 0.000 0.347 425 M C -1.346 174.698 176.300 -0.426 0.000 1.123 425 M CA -2.237 52.763 55.300 -0.500 0.000 1.035 425 M CB 1.761 34.071 32.600 -0.482 0.000 1.484 425 M HN -0.099 nan 8.290 nan 0.000 0.428 426 P HA -0.096 nan 4.420 nan 0.000 0.226 426 P C 0.996 178.184 177.300 -0.187 0.000 1.146 426 P CA 1.397 64.346 63.100 -0.252 0.000 0.773 426 P CB 0.028 31.600 31.700 -0.213 0.000 0.772 427 G N -0.743 107.883 108.800 -0.290 0.000 3.434 427 G HA2 0.362 4.956 3.960 1.057 0.000 0.258 427 G HA3 0.362 4.956 3.960 1.057 0.000 0.258 427 G C 0.574 175.508 174.900 0.057 0.000 1.128 427 G CA 0.031 45.089 45.100 -0.070 0.000 0.792 427 G HN 0.422 nan 8.290 nan 0.000 0.539 428 G N -0.214 108.566 108.800 -0.034 0.000 2.489 428 G HA2 0.670 5.264 3.960 1.057 0.000 0.327 428 G HA3 0.670 5.264 3.960 1.057 0.000 0.327 428 G C -1.003 173.800 174.900 -0.161 0.000 1.189 428 G CA -0.777 44.332 45.100 0.015 0.000 0.962 428 G HN 0.065 nan 8.290 nan 0.000 0.486 429 R N 0.869 121.227 120.500 -0.237 0.000 2.533 429 R HA 0.436 5.411 4.340 1.057 0.000 0.288 429 R C -1.302 174.954 176.300 -0.072 0.000 1.039 429 R CA -0.789 55.130 56.100 -0.302 0.000 0.909 429 R CB 1.952 31.803 30.300 -0.747 0.000 1.195 429 R HN 0.616 nan 8.270 nan 0.000 0.438 430 N N 1.801 120.482 118.700 -0.032 0.000 2.242 430 N HA 0.288 5.662 4.740 1.057 0.000 0.292 430 N C -1.223 174.169 175.510 -0.196 0.000 1.125 430 N CA -0.814 52.139 53.050 -0.161 0.000 0.783 430 N CB 2.823 41.103 38.487 -0.345 0.000 1.558 430 N HN 0.244 nan 8.380 nan 0.000 0.472 431 L N 2.496 123.477 121.223 -0.404 0.000 2.319 431 L HA 0.431 5.405 4.340 1.057 0.000 0.280 431 L C -1.345 175.176 176.870 -0.581 0.000 1.099 431 L CA 0.206 54.834 54.840 -0.354 0.000 0.828 431 L CB -0.264 41.581 42.059 -0.355 0.000 1.150 431 L HN 0.411 nan 8.230 nan 0.000 0.442 432 Y N 3.476 123.421 120.300 -0.591 0.000 2.602 432 Y HA 0.616 5.799 4.550 1.056 0.000 0.342 432 Y C -0.452 175.051 175.900 -0.661 0.000 1.029 432 Y CA -0.869 56.808 58.100 -0.704 0.000 1.080 432 Y CB 1.657 39.451 38.460 -1.111 0.000 1.284 432 Y HN 0.571 nan 8.280 nan 0.000 0.485 433 K N 1.835 122.021 120.400 -0.356 0.000 2.427 433 K HA 0.755 5.709 4.320 1.057 0.000 0.252 433 K C -1.990 174.520 176.600 -0.150 0.000 0.931 433 K CA -0.696 55.298 56.287 -0.488 0.000 0.793 433 K CB 2.498 34.467 32.500 -0.886 0.000 1.211 433 K HN 0.747 nan 8.250 nan 0.000 0.426 434 I N 1.956 122.517 120.570 -0.014 0.000 2.474 434 I HA 0.196 5.001 4.170 1.057 0.000 0.294 434 I C -0.745 175.457 176.117 0.142 0.000 1.005 434 I CA -0.713 60.667 61.300 0.134 0.000 1.113 434 I CB 2.028 40.143 38.000 0.192 0.000 1.289 434 I HN 0.842 nan 8.210 nan 0.000 0.436 435 Q N 5.163 125.044 119.800 0.136 0.000 2.286 435 Q HA 0.108 5.082 4.340 1.057 0.000 0.267 435 Q C 0.284 176.227 176.000 -0.096 0.000 1.028 435 Q CA -0.470 55.256 55.803 -0.129 0.000 0.901 435 Q CB 1.151 29.828 28.738 -0.102 0.000 1.183 435 Q HN 0.750 nan 8.270 nan 0.000 0.392 436 L N 2.952 124.041 121.223 -0.223 0.000 2.131 436 L HA -0.165 4.809 4.340 1.057 0.000 0.210 436 L C 2.176 178.967 176.870 -0.131 0.000 1.092 436 L CA 1.879 56.666 54.840 -0.088 0.000 0.759 436 L CB -0.859 41.112 42.059 -0.145 0.000 0.903 436 L HN 0.751 nan 8.230 nan 0.000 0.435 437 S N -2.553 113.023 115.700 -0.207 0.000 2.528 437 S HA 0.026 5.130 4.470 1.057 0.000 0.219 437 S C 0.521 174.957 174.600 -0.275 0.000 0.985 437 S CA 0.133 58.200 58.200 -0.221 0.000 0.914 437 S CB 0.056 63.155 63.200 -0.168 0.000 0.776 437 S HN 0.394 nan 8.310 nan 0.000 0.526 438 D N -0.110 120.139 120.400 -0.250 0.000 2.319 438 D HA 0.224 5.498 4.640 1.057 0.000 0.237 438 D C -0.392 175.865 176.300 -0.072 0.000 1.353 438 D CA -0.647 53.224 54.000 -0.216 0.000 0.992 438 D CB 0.101 40.833 40.800 -0.114 0.000 1.368 438 D HN -0.038 nan 8.370 nan 0.000 0.564 439 Y N 1.364 121.649 120.300 -0.024 0.000 2.651 439 Y HA -0.069 5.116 4.550 1.058 0.000 0.293 439 Y C 2.278 178.189 175.900 0.018 0.000 1.151 439 Y CA 0.832 58.931 58.100 -0.003 0.000 1.362 439 Y CB -0.817 37.644 38.460 0.003 0.000 0.973 439 Y HN 0.334 nan 8.280 nan 0.000 0.561 440 T N -0.511 114.119 114.554 0.128 0.000 3.023 440 T HA -0.042 4.943 4.350 1.057 0.000 0.266 440 T C 0.891 175.643 174.700 0.085 0.000 1.093 440 T CA 0.594 62.749 62.100 0.091 0.000 1.129 440 T CB -0.038 68.858 68.868 0.045 0.000 0.899 440 T HN 0.073 nan 8.240 nan 0.000 0.491 441 K N 2.738 123.189 120.400 0.085 0.000 2.180 441 K HA 0.387 5.341 4.320 1.057 0.000 0.250 441 K C -0.801 175.868 176.600 0.115 0.000 1.135 441 K CA -0.088 56.251 56.287 0.086 0.000 1.037 441 K CB 0.685 33.232 32.500 0.079 0.000 1.624 441 K HN 0.098 nan 8.250 nan 0.000 0.382 442 V N 2.165 122.144 119.914 0.108 0.000 2.417 442 V HA 0.385 5.139 4.120 1.057 0.000 0.291 442 V C -0.784 175.358 176.094 0.080 0.000 1.024 442 V CA -0.220 62.151 62.300 0.119 0.000 0.861 442 V CB 1.774 33.693 31.823 0.160 0.000 0.985 442 V HN 0.612 nan 8.190 nan 0.000 0.436 443 T N 6.060 120.626 114.554 0.019 0.000 2.807 443 T HA 0.296 5.281 4.350 1.057 0.000 0.279 443 T C -0.495 174.112 174.700 -0.155 0.000 0.993 443 T CA -0.254 61.810 62.100 -0.060 0.000 0.970 443 T CB 1.086 69.882 68.868 -0.119 0.000 0.950 443 T HN 0.865 nan 8.240 nan 0.000 0.441 444 C N 5.185 124.329 119.300 -0.260 0.000 2.394 444 C HA 0.415 5.509 4.460 1.057 0.000 0.362 444 C C 1.646 176.307 174.990 -0.549 0.000 1.268 444 C CA -0.562 58.036 59.018 -0.700 0.000 1.828 444 C CB -1.821 25.417 27.740 -0.837 0.000 2.442 444 C HN 0.979 nan 8.230 nan 0.000 0.549 445 L N 4.640 125.514 121.223 -0.582 0.000 2.477 445 L HA 0.081 5.055 4.340 1.057 0.000 0.220 445 L C 2.178 178.736 176.870 -0.520 0.000 1.106 445 L CA 0.854 55.433 54.840 -0.434 0.000 0.851 445 L CB -0.265 41.585 42.059 -0.348 0.000 0.994 445 L HN 0.876 nan 8.230 nan 0.000 0.462 446 S N -2.789 112.485 115.700 -0.710 0.000 2.539 446 S HA -0.031 5.073 4.470 1.057 0.000 0.226 446 S C 1.948 176.140 174.600 -0.680 0.000 1.054 446 S CA 0.008 57.665 58.200 -0.905 0.000 0.910 446 S CB -0.357 61.937 63.200 -1.510 0.000 0.818 446 S HN 0.295 nan 8.310 nan 0.000 0.490 447 C N 2.182 121.058 119.300 -0.707 0.000 2.353 447 C HA -0.108 4.986 4.460 1.057 0.000 0.272 447 C C 2.520 177.219 174.990 -0.484 0.000 1.165 447 C CA 1.778 60.310 59.018 -0.810 0.000 1.786 447 C CB -1.132 25.958 27.740 -1.083 0.000 2.071 447 C HN 0.624 nan 8.230 nan 0.000 0.451 448 E N -0.183 119.818 120.200 -0.332 0.000 2.474 448 E HA 0.189 5.173 4.350 1.057 0.000 0.195 448 E C 1.811 178.358 176.600 -0.089 0.000 1.039 448 E CA -0.065 56.242 56.400 -0.156 0.000 0.881 448 E CB -0.196 29.433 29.700 -0.117 0.000 0.970 448 E HN 0.567 nan 8.360 nan 0.000 0.486 449 L N 0.170 121.335 121.223 -0.095 0.000 2.012 449 L HA -0.092 4.882 4.340 1.057 0.000 0.210 449 L C 1.079 177.961 176.870 0.020 0.000 1.073 449 L CA 0.981 55.808 54.840 -0.022 0.000 0.748 449 L CB -0.076 41.987 42.059 0.007 0.000 0.891 449 L HN 0.110 nan 8.230 nan 0.000 0.431 450 N N -1.309 117.421 118.700 0.049 0.000 2.785 450 N HA 0.092 5.466 4.740 1.057 0.000 0.224 450 N C -2.068 173.468 175.510 0.044 0.000 1.448 450 N CA -0.979 52.092 53.050 0.035 0.000 0.748 450 N CB 0.733 39.236 38.487 0.026 0.000 1.385 450 N HN -0.153 nan 8.380 nan 0.000 0.538 451 P HA -0.178 nan 4.420 nan 0.000 0.218 451 P C 0.979 178.322 177.300 0.071 0.000 1.146 451 P CA 1.096 64.244 63.100 0.081 0.000 0.820 451 P CB 0.726 32.487 31.700 0.102 0.000 0.778 452 E N -0.265 119.959 120.200 0.040 0.000 2.046 452 E HA -0.132 4.852 4.350 1.057 0.000 0.190 452 E C 2.255 178.858 176.600 0.005 0.000 0.982 452 E CA 0.796 57.211 56.400 0.025 0.000 0.800 452 E CB -0.126 29.580 29.700 0.011 0.000 0.756 452 E HN 0.231 nan 8.360 nan 0.000 0.449 453 R N -0.710 119.780 120.500 -0.017 0.000 2.254 453 R HA 0.078 5.053 4.340 1.057 0.000 0.195 453 R C -0.153 176.093 176.300 -0.090 0.000 0.957 453 R CA 0.302 56.368 56.100 -0.058 0.000 1.024 453 R CB 0.411 30.667 30.300 -0.075 0.000 0.952 453 R HN 0.010 nan 8.270 nan 0.000 0.484 454 c N 0.812 119.368 118.600 -0.072 0.000 2.344 454 c HA 0.417 5.622 4.570 1.057 0.000 0.326 454 c C 0.073 174.126 174.090 -0.062 0.000 1.201 454 c CA -0.656 55.561 56.329 -0.186 0.000 1.410 454 c CB 1.492 43.832 42.510 -0.283 0.000 2.070 454 c HN 0.514 nan 8.230 nan 0.000 0.445 455 Q N 0.414 120.177 119.800 -0.061 0.000 2.113 455 Q HA 0.202 5.176 4.340 1.057 0.000 0.225 455 Q C -0.975 175.092 176.000 0.112 0.000 0.786 455 Q CA 0.127 55.981 55.803 0.086 0.000 0.989 455 Q CB 1.311 30.118 28.738 0.115 0.000 1.174 455 Q HN 0.791 nan 8.270 nan 0.000 0.470 456 Y N 0.469 120.662 120.300 -0.178 0.000 2.402 456 Y HA 0.385 5.569 4.550 1.056 0.000 0.325 456 Y C -1.580 174.179 175.900 -0.234 0.000 1.009 456 Y CA -0.979 57.048 58.100 -0.122 0.000 1.278 456 Y CB 0.744 39.144 38.460 -0.099 0.000 1.105 456 Y HN -0.088 nan 8.280 nan 0.000 0.476 457 Y N 2.013 122.257 120.300 -0.092 0.000 2.549 457 Y HA 0.694 5.878 4.550 1.057 0.000 0.339 457 Y C 0.150 175.998 175.900 -0.086 0.000 1.053 457 Y CA -0.686 57.369 58.100 -0.075 0.000 1.105 457 Y CB 2.307 40.691 38.460 -0.126 0.000 1.258 457 Y HN 0.491 nan 8.280 nan 0.000 0.478 458 S N 0.456 116.255 115.700 0.164 0.000 2.627 458 S HA 0.876 5.980 4.470 1.057 0.000 0.283 458 S C -1.668 173.010 174.600 0.130 0.000 1.127 458 S CA -0.736 57.539 58.200 0.126 0.000 0.863 458 S CB 1.827 65.113 63.200 0.145 0.000 1.121 458 S HN 0.642 nan 8.310 nan 0.000 0.479 459 V N 0.187 120.176 119.914 0.125 0.000 3.130 459 V HA 0.905 5.659 4.120 1.057 0.000 0.310 459 V C -1.263 174.919 176.094 0.146 0.000 1.158 459 V CA -0.244 62.106 62.300 0.083 0.000 1.029 459 V CB 2.339 34.147 31.823 -0.025 0.000 1.057 459 V HN 1.274 nan 8.190 nan 0.000 0.436 460 S N 3.351 119.119 115.700 0.113 0.000 2.721 460 S HA 0.606 5.710 4.470 1.057 0.000 0.264 460 S C -1.183 173.570 174.600 0.253 0.000 1.161 460 S CA -0.422 57.941 58.200 0.273 0.000 1.113 460 S CB 0.222 63.626 63.200 0.340 0.000 1.079 460 S HN 0.479 nan 8.310 nan 0.000 0.479 461 F N 2.980 122.992 119.950 0.104 0.000 2.380 461 F HA 0.463 5.623 4.527 1.056 0.000 0.325 461 F C 1.527 176.877 175.800 -0.749 0.000 1.136 461 F CA -0.149 57.737 58.000 -0.189 0.000 1.171 461 F CB 1.100 39.964 39.000 -0.227 0.000 1.230 461 F HN 0.629 nan 8.300 nan 0.000 0.554 462 S N 1.421 116.471 115.700 -1.083 0.000 2.634 462 S HA 0.208 5.312 4.470 1.057 0.000 0.261 462 S C 1.148 175.473 174.600 -0.459 0.000 1.271 462 S CA -0.837 56.467 58.200 -1.492 0.000 0.985 462 S CB 0.811 63.204 63.200 -1.344 0.000 0.968 462 S HN 0.521 nan 8.310 nan 0.000 0.568 463 K N 0.959 121.231 120.400 -0.214 0.000 2.089 463 K HA -0.111 4.844 4.320 1.057 0.000 0.210 463 K C 0.794 177.366 176.600 -0.046 0.000 1.048 463 K CA 1.576 57.837 56.287 -0.044 0.000 0.926 463 K CB -0.392 32.129 32.500 0.035 0.000 0.714 463 K HN 0.703 nan 8.250 nan 0.000 0.448 464 E N -0.716 119.431 120.200 -0.089 0.000 2.736 464 E HA 0.254 5.238 4.350 1.057 0.000 0.208 464 E C -0.047 176.495 176.600 -0.097 0.000 0.996 464 E CA 0.004 56.368 56.400 -0.060 0.000 1.104 464 E CB 0.654 30.333 29.700 -0.035 0.000 1.111 464 E HN 0.218 nan 8.360 nan 0.000 0.455 465 A N 1.458 124.203 122.820 -0.126 0.000 2.826 465 A HA -0.334 4.620 4.320 1.057 0.000 0.274 465 A C 1.531 179.059 177.584 -0.092 0.000 1.443 465 A CA 1.769 53.753 52.037 -0.088 0.000 0.833 465 A CB -1.995 16.844 19.000 -0.268 0.000 1.023 465 A HN 0.301 nan 8.150 nan 0.000 0.600 466 K N -1.741 118.535 120.400 -0.206 0.000 2.155 466 K HA 0.109 5.063 4.320 1.057 0.000 0.203 466 K C 0.248 176.476 176.600 -0.621 0.000 1.052 466 K CA 1.635 57.683 56.287 -0.398 0.000 0.948 466 K CB -0.037 32.180 32.500 -0.471 0.000 0.728 466 K HN 0.718 nan 8.250 nan 0.000 0.448 467 Y N -1.401 118.782 120.300 -0.195 0.000 2.609 467 Y HA 0.352 5.536 4.550 1.057 0.000 0.342 467 Y C -1.060 174.708 175.900 -0.219 0.000 1.058 467 Y CA -1.443 56.550 58.100 -0.178 0.000 1.055 467 Y CB 1.644 40.044 38.460 -0.100 0.000 1.292 467 Y HN -0.059 nan 8.280 nan 0.000 0.476 468 Y N -1.147 119.097 120.300 -0.094 0.000 2.544 468 Y HA 0.516 5.700 4.550 1.056 0.000 0.342 468 Y C -1.274 174.615 175.900 -0.018 0.000 1.062 468 Y CA -1.546 56.334 58.100 -0.367 0.000 1.023 468 Y CB 1.535 39.170 38.460 -1.376 0.000 1.308 468 Y HN 0.590 nan 8.280 nan 0.000 0.457 469 Q N 3.814 123.701 119.800 0.146 0.000 2.314 469 Q HA 0.530 5.504 4.340 1.057 0.000 0.259 469 Q C -1.740 174.325 176.000 0.109 0.000 0.951 469 Q CA -0.607 55.257 55.803 0.102 0.000 0.909 469 Q CB 1.226 29.999 28.738 0.058 0.000 1.236 469 Q HN 0.970 nan 8.270 nan 0.000 0.444 470 L N 4.260 125.560 121.223 0.128 0.000 2.334 470 L HA 0.510 5.485 4.340 1.057 0.000 0.277 470 L C -0.134 176.819 176.870 0.138 0.000 1.075 470 L CA -0.459 54.461 54.840 0.133 0.000 0.804 470 L CB 1.088 43.200 42.059 0.087 0.000 1.174 470 L HN 0.626 nan 8.230 nan 0.000 0.438 471 R N 2.441 123.013 120.500 0.119 0.000 2.435 471 R HA 0.320 5.294 4.340 1.057 0.000 0.308 471 R C -1.213 174.964 176.300 -0.205 0.000 0.975 471 R CA -0.558 55.449 56.100 -0.154 0.000 0.867 471 R CB 1.689 31.953 30.300 -0.059 0.000 1.171 471 R HN 0.589 nan 8.270 nan 0.000 0.470 472 c N 2.793 121.130 118.600 -0.438 0.000 2.307 472 c HA 0.432 5.637 4.570 1.057 0.000 0.340 472 c C 1.343 175.191 174.090 -0.403 0.000 1.275 472 c CA -0.259 55.698 56.329 -0.621 0.000 1.811 472 c CB 0.270 42.336 42.510 -0.739 0.000 2.372 472 c HN 0.968 nan 8.230 nan 0.000 0.531 473 S N 3.720 119.277 115.700 -0.239 0.000 2.754 473 S HA 0.631 5.735 4.470 1.057 0.000 0.247 473 S C 0.255 174.802 174.600 -0.087 0.000 1.031 473 S CA 0.230 58.350 58.200 -0.134 0.000 1.014 473 S CB -0.081 63.081 63.200 -0.063 0.000 0.918 473 S HN 1.999 nan 8.310 nan 0.000 0.519 474 G N 1.877 110.607 108.800 -0.117 0.000 2.328 474 G HA2 0.375 4.969 3.960 1.057 0.000 0.299 474 G HA3 0.375 4.969 3.960 1.057 0.000 0.299 474 G C -3.035 171.831 174.900 -0.058 0.000 1.435 474 G CA -0.514 44.557 45.100 -0.048 0.000 0.865 474 G HN -0.115 nan 8.290 nan 0.000 0.601 475 P HA 0.129 nan 4.420 nan 0.000 0.229 475 P C 1.235 178.542 177.300 0.012 0.000 1.160 475 P CA 1.296 64.414 63.100 0.031 0.000 0.777 475 P CB 0.424 32.145 31.700 0.035 0.000 0.814 476 G N 0.388 109.130 108.800 -0.097 0.000 2.543 476 G HA2 0.414 5.008 3.960 1.057 0.000 0.290 476 G HA3 0.414 5.008 3.960 1.057 0.000 0.290 476 G C -0.204 174.449 174.900 -0.412 0.000 1.310 476 G CA -0.763 44.202 45.100 -0.226 0.000 1.025 476 G HN 0.030 nan 8.290 nan 0.000 0.502 477 L N 0.951 121.838 121.223 -0.561 0.000 2.483 477 L HA 0.121 5.096 4.340 1.057 0.000 0.276 477 L C -1.821 174.876 176.870 -0.288 0.000 1.213 477 L CA -1.162 53.332 54.840 -0.577 0.000 0.843 477 L CB 0.451 42.258 42.059 -0.421 0.000 1.107 477 L HN 0.247 nan 8.230 nan 0.000 0.487 478 P HA 0.005 nan 4.420 nan 0.000 0.264 478 P C -0.904 176.310 177.300 -0.144 0.000 1.183 478 P CA 0.070 63.073 63.100 -0.161 0.000 0.763 478 P CB 0.502 32.190 31.700 -0.021 0.000 0.807 479 L N 5.198 126.260 121.223 -0.269 0.000 2.446 479 L HA 0.438 5.412 4.340 1.057 0.000 0.268 479 L C -1.813 174.911 176.870 -0.244 0.000 0.975 479 L CA -0.660 54.083 54.840 -0.162 0.000 0.848 479 L CB 0.636 42.617 42.059 -0.129 0.000 1.225 479 L HN 0.205 nan 8.230 nan 0.000 0.410 480 Y N 2.899 123.160 120.300 -0.065 0.000 2.328 480 Y HA 0.726 5.908 4.550 1.055 0.000 0.337 480 Y C 0.724 176.521 175.900 -0.172 0.000 1.008 480 Y CA -0.268 57.773 58.100 -0.099 0.000 1.129 480 Y CB 1.876 40.253 38.460 -0.139 0.000 1.185 480 Y HN 0.681 nan 8.280 nan 0.000 0.476 481 T N 1.163 115.721 114.554 0.007 0.000 2.906 481 T HA 0.693 5.677 4.350 1.057 0.000 0.295 481 T C -1.475 173.148 174.700 -0.128 0.000 1.061 481 T CA -0.909 61.137 62.100 -0.089 0.000 1.000 481 T CB 1.967 70.840 68.868 0.009 0.000 1.103 481 T HN 0.390 nan 8.240 nan 0.000 0.486 482 L N 1.723 122.748 121.223 -0.330 0.000 2.346 482 L HA 0.743 5.717 4.340 1.057 0.000 0.276 482 L C -1.316 175.257 176.870 -0.494 0.000 1.006 482 L CA -0.242 54.441 54.840 -0.262 0.000 0.817 482 L CB 1.348 43.279 42.059 -0.213 0.000 1.272 482 L HN 0.903 nan 8.230 nan 0.000 0.421 483 H N 0.590 119.431 119.070 -0.382 0.000 2.865 483 H HA 0.746 5.936 4.556 1.057 0.000 0.372 483 H C -0.854 174.257 175.328 -0.362 0.000 1.173 483 H CA -0.808 54.936 56.048 -0.507 0.000 1.147 483 H CB 1.924 31.065 29.762 -1.036 0.000 1.805 483 H HN 0.513 nan 8.280 nan 0.000 0.553 484 S N -0.094 115.554 115.700 -0.086 0.000 2.478 484 S HA 0.274 5.378 4.470 1.057 0.000 0.312 484 S C 0.344 174.895 174.600 -0.081 0.000 1.094 484 S CA -0.784 57.352 58.200 -0.106 0.000 1.081 484 S CB 1.660 64.822 63.200 -0.063 0.000 1.007 484 S HN 0.567 nan 8.310 nan 0.000 0.475 485 S N 2.112 117.782 115.700 -0.051 0.000 2.399 485 S HA -0.126 4.978 4.470 1.057 0.000 0.231 485 S C 1.908 176.534 174.600 0.042 0.000 1.022 485 S CA 1.045 59.319 58.200 0.124 0.000 0.983 485 S CB -0.453 62.807 63.200 0.101 0.000 0.803 485 S HN 0.693 nan 8.310 nan 0.000 0.480 486 V N 2.357 122.246 119.914 -0.042 0.000 2.278 486 V HA -0.264 4.490 4.120 1.057 0.000 0.251 486 V C 1.446 177.541 176.094 0.002 0.000 1.062 486 V CA 2.156 64.446 62.300 -0.016 0.000 1.038 486 V CB -0.396 31.404 31.823 -0.037 0.000 0.646 486 V HN 0.571 nan 8.190 nan 0.000 0.447 487 N N -2.256 116.444 118.700 0.001 0.000 2.210 487 N HA 0.067 5.441 4.740 1.057 0.000 0.203 487 N C -0.164 175.355 175.510 0.016 0.000 1.175 487 N CA 0.545 53.598 53.050 0.004 0.000 0.894 487 N CB 0.651 39.140 38.487 0.003 0.000 1.041 487 N HN 0.389 nan 8.380 nan 0.000 0.506 488 D N 1.382 121.812 120.400 0.050 0.000 3.068 488 D HA -0.143 5.131 4.640 1.057 0.000 0.218 488 D C -0.221 176.128 176.300 0.081 0.000 1.145 488 D CA 1.080 55.144 54.000 0.106 0.000 0.896 488 D CB -1.201 39.645 40.800 0.076 0.000 1.105 488 D HN 0.539 nan 8.370 nan 0.000 0.423 489 K N -0.023 120.398 120.400 0.035 0.000 2.185 489 K HA 0.519 5.473 4.320 1.057 0.000 0.271 489 K C 0.698 177.276 176.600 -0.036 0.000 1.013 489 K CA -0.171 56.124 56.287 0.013 0.000 0.943 489 K CB 1.122 33.617 32.500 -0.008 0.000 0.998 489 K HN -0.038 nan 8.250 nan 0.000 0.468 490 G N 3.145 111.888 108.800 -0.095 0.000 2.351 490 G HA2 0.210 4.804 3.960 1.057 0.000 0.287 490 G HA3 0.210 4.804 3.960 1.057 0.000 0.287 490 G C 0.432 175.173 174.900 -0.265 0.000 1.159 490 G CA -0.806 44.075 45.100 -0.365 0.000 0.929 490 G HN 0.685 nan 8.290 nan 0.000 0.435 491 L N 1.874 122.922 121.223 -0.292 0.000 2.044 491 L HA 0.211 5.185 4.340 1.057 0.000 0.205 491 L C 1.715 178.489 176.870 -0.161 0.000 1.075 491 L CA 1.029 55.772 54.840 -0.163 0.000 0.747 491 L CB -0.341 41.647 42.059 -0.118 0.000 0.903 491 L HN 0.766 nan 8.230 nan 0.000 0.435 492 R N -2.396 117.968 120.500 -0.227 0.000 2.829 492 R HA 0.377 5.351 4.340 1.057 0.000 0.284 492 R C -1.685 174.485 176.300 -0.218 0.000 1.006 492 R CA -0.942 55.050 56.100 -0.180 0.000 0.844 492 R CB 1.180 31.404 30.300 -0.126 0.000 1.309 492 R HN -0.287 nan 8.270 nan 0.000 0.494 493 V N 2.433 122.246 119.914 -0.167 0.000 2.432 493 V HA 0.215 4.969 4.120 1.057 0.000 0.275 493 V C 1.281 177.240 176.094 -0.224 0.000 1.043 493 V CA -0.452 61.750 62.300 -0.164 0.000 0.925 493 V CB 1.221 32.984 31.823 -0.100 0.000 0.985 493 V HN 0.624 nan 8.190 nan 0.000 0.466 494 L N 2.629 123.647 121.223 -0.342 0.000 2.168 494 L HA 0.250 5.224 4.340 1.057 0.000 0.203 494 L C 0.726 177.367 176.870 -0.382 0.000 1.078 494 L CA 0.812 55.265 54.840 -0.645 0.000 0.780 494 L CB 0.223 41.489 42.059 -1.322 0.000 0.939 494 L HN 0.708 nan 8.230 nan 0.000 0.451 495 E N -0.292 119.821 120.200 -0.145 0.000 2.343 495 E HA 0.071 5.056 4.350 1.057 0.000 0.288 495 E C -1.092 175.567 176.600 0.098 0.000 0.907 495 E CA -0.366 56.060 56.400 0.043 0.000 0.792 495 E CB 1.018 30.799 29.700 0.135 0.000 1.275 495 E HN 0.140 nan 8.360 nan 0.000 0.402 496 D N 3.386 123.818 120.400 0.054 0.000 2.398 496 D HA 0.115 5.390 4.640 1.057 0.000 0.210 496 D C -0.269 176.047 176.300 0.026 0.000 1.094 496 D CA -0.182 53.835 54.000 0.028 0.000 0.839 496 D CB -0.060 40.737 40.800 -0.005 0.000 0.963 496 D HN 0.456 nan 8.370 nan 0.000 0.506 497 N N 0.393 119.130 118.700 0.061 0.000 2.714 497 N HA -0.220 5.154 4.740 1.057 0.000 0.250 497 N C 1.003 176.528 175.510 0.025 0.000 1.117 497 N CA 0.940 54.021 53.050 0.052 0.000 0.719 497 N CB -1.477 37.031 38.487 0.036 0.000 1.081 497 N HN 0.486 nan 8.380 nan 0.000 0.557 498 S N -1.088 114.626 115.700 0.023 0.000 2.400 498 S HA -0.086 5.018 4.470 1.057 0.000 0.232 498 S C 2.115 176.734 174.600 0.031 0.000 1.025 498 S CA 1.113 59.322 58.200 0.016 0.000 0.993 498 S CB -0.209 63.000 63.200 0.015 0.000 0.808 498 S HN 0.524 nan 8.310 nan 0.000 0.478 499 A N 2.272 125.120 122.820 0.048 0.000 1.865 499 A HA -0.009 4.945 4.320 1.057 0.000 0.217 499 A C 2.257 179.887 177.584 0.077 0.000 1.191 499 A CA 1.757 53.831 52.037 0.062 0.000 0.623 499 A CB -1.043 17.999 19.000 0.070 0.000 0.826 499 A HN 0.534 nan 8.150 nan 0.000 0.444 500 L N 0.355 121.628 121.223 0.083 0.000 2.083 500 L HA -0.171 4.803 4.340 1.057 0.000 0.209 500 L C 1.927 178.834 176.870 0.061 0.000 1.083 500 L CA 2.847 57.750 54.840 0.106 0.000 0.752 500 L CB -0.776 41.347 42.059 0.107 0.000 0.899 500 L HN 0.523 nan 8.230 nan 0.000 0.433 501 D N -0.963 119.446 120.400 0.016 0.000 2.123 501 D HA -0.215 5.060 4.640 1.057 0.000 0.196 501 D C 2.033 178.340 176.300 0.011 0.000 0.992 501 D CA 1.122 55.113 54.000 -0.014 0.000 0.833 501 D CB 0.095 40.875 40.800 -0.033 0.000 0.954 501 D HN 0.101 nan 8.370 nan 0.000 0.455 502 K N -0.133 120.287 120.400 0.034 0.000 2.026 502 K HA -0.091 4.864 4.320 1.057 0.000 0.208 502 K C 2.249 178.887 176.600 0.064 0.000 1.048 502 K CA 0.958 57.271 56.287 0.043 0.000 0.929 502 K CB -0.483 32.047 32.500 0.050 0.000 0.713 502 K HN 0.385 nan 8.250 nan 0.000 0.439 503 M N 0.428 120.089 119.600 0.101 0.000 2.086 503 M HA -0.130 4.984 4.480 1.057 0.000 0.261 503 M C 2.133 178.470 176.300 0.062 0.000 1.067 503 M CA 1.424 56.820 55.300 0.160 0.000 1.116 503 M CB -0.399 32.392 32.600 0.318 0.000 1.348 503 M HN 0.014 nan 8.290 nan 0.000 0.407 504 L N 0.568 121.776 121.223 -0.024 0.000 2.450 504 L HA -0.193 4.781 4.340 1.057 0.000 0.224 504 L C 2.475 179.315 176.870 -0.050 0.000 1.149 504 L CA 0.956 55.725 54.840 -0.119 0.000 0.816 504 L CB -0.752 41.253 42.059 -0.091 0.000 0.932 504 L HN 0.531 nan 8.230 nan 0.000 0.449 505 Q N -1.430 118.366 119.800 -0.007 0.000 2.403 505 Q HA -0.074 4.901 4.340 1.057 0.000 0.203 505 Q C 1.245 177.261 176.000 0.028 0.000 0.932 505 Q CA 0.499 56.308 55.803 0.009 0.000 0.945 505 Q CB -0.145 28.601 28.738 0.012 0.000 1.045 505 Q HN 0.456 nan 8.270 nan 0.000 0.511 506 N N 0.657 119.378 118.700 0.036 0.000 2.280 506 N HA 0.080 5.454 4.740 1.057 0.000 0.192 506 N C -0.707 174.840 175.510 0.062 0.000 1.109 506 N CA 0.074 53.160 53.050 0.059 0.000 0.855 506 N CB 1.285 39.824 38.487 0.087 0.000 0.974 506 N HN 0.146 nan 8.380 nan 0.000 0.482 507 V N 0.842 120.774 119.914 0.030 0.000 2.823 507 V HA 0.282 5.037 4.120 1.057 0.000 0.312 507 V C -0.881 175.228 176.094 0.026 0.000 1.072 507 V CA -0.701 61.618 62.300 0.031 0.000 0.937 507 V CB 2.148 33.961 31.823 -0.016 0.000 1.013 507 V HN -0.009 nan 8.190 nan 0.000 0.430 508 Q N 5.931 125.752 119.800 0.036 0.000 2.641 508 Q HA 0.285 5.259 4.340 1.057 0.000 0.225 508 Q C -0.388 175.610 176.000 -0.002 0.000 1.309 508 Q CA -0.155 55.656 55.803 0.013 0.000 0.935 508 Q CB 0.388 29.098 28.738 -0.047 0.000 1.557 508 Q HN 0.599 nan 8.270 nan 0.000 0.563 509 M N 3.393 122.992 119.600 -0.003 0.000 2.241 509 M HA 0.336 5.450 4.480 1.057 0.000 0.335 509 M C -1.930 174.346 176.300 -0.040 0.000 1.122 509 M CA -2.311 52.971 55.300 -0.031 0.000 1.164 509 M CB -0.070 32.513 32.600 -0.029 0.000 1.459 509 M HN 0.281 nan 8.290 nan 0.000 0.461 510 P HA 0.297 nan 4.420 nan 0.000 0.278 510 P C -1.037 176.211 177.300 -0.087 0.000 1.258 510 P CA -0.390 62.648 63.100 -0.102 0.000 0.811 510 P CB 0.822 32.433 31.700 -0.149 0.000 1.063 511 S N -0.311 115.323 115.700 -0.109 0.000 2.664 511 S HA 0.617 5.721 4.470 1.057 0.000 0.304 511 S C -0.474 174.044 174.600 -0.137 0.000 1.099 511 S CA -0.827 57.318 58.200 -0.093 0.000 1.003 511 S CB 1.813 64.963 63.200 -0.082 0.000 1.092 511 S HN 0.506 nan 8.310 nan 0.000 0.525 512 K N 0.430 120.772 120.400 -0.098 0.000 2.345 512 K HA 0.434 5.388 4.320 1.057 0.000 0.255 512 K C -1.383 175.165 176.600 -0.086 0.000 0.934 512 K CA -0.547 55.681 56.287 -0.097 0.000 0.801 512 K CB 1.398 33.864 32.500 -0.056 0.000 1.137 512 K HN 0.711 nan 8.250 nan 0.000 0.424 513 K N 5.523 125.862 120.400 -0.102 0.000 2.358 513 K HA 0.335 5.290 4.320 1.057 0.000 0.260 513 K C -1.452 175.107 176.600 -0.069 0.000 0.956 513 K CA -0.671 55.564 56.287 -0.088 0.000 0.834 513 K CB 1.085 33.505 32.500 -0.134 0.000 1.102 513 K HN 0.566 nan 8.250 nan 0.000 0.431 514 L N 4.797 126.003 121.223 -0.027 0.000 2.298 514 L HA 0.442 5.416 4.340 1.057 0.000 0.284 514 L C -0.936 175.944 176.870 0.017 0.000 1.013 514 L CA -0.115 54.745 54.840 0.035 0.000 0.824 514 L CB 1.129 43.283 42.059 0.158 0.000 1.221 514 L HN 0.890 nan 8.230 nan 0.000 0.418 515 D N 2.833 123.059 120.400 -0.290 0.000 3.057 515 D HA 0.469 5.743 4.640 1.057 0.000 0.328 515 D C -1.581 174.337 176.300 -0.637 0.000 1.317 515 D CA -0.021 53.706 54.000 -0.455 0.000 0.973 515 D CB 2.375 42.850 40.800 -0.542 0.000 1.424 515 D HN 0.236 nan 8.370 nan 0.000 0.569 516 F N 0.033 119.631 119.950 -0.587 0.000 2.685 516 F HA 0.715 5.875 4.527 1.056 0.000 0.315 516 F C -1.113 174.796 175.800 0.182 0.000 1.126 516 F CA -0.994 56.815 58.000 -0.318 0.000 0.950 516 F CB 0.892 39.270 39.000 -1.036 0.000 1.360 516 F HN 0.284 nan 8.300 nan 0.000 0.469 517 I N -0.407 120.420 120.570 0.429 0.000 3.074 517 I HA 0.726 5.530 4.170 1.057 0.000 0.310 517 I C -1.674 174.671 176.117 0.380 0.000 1.153 517 I CA -1.232 60.243 61.300 0.291 0.000 0.993 517 I CB 2.561 40.695 38.000 0.224 0.000 1.237 517 I HN 0.687 nan 8.210 nan 0.000 0.443 518 I N 3.600 124.325 120.570 0.259 0.000 2.460 518 I HA 0.489 5.293 4.170 1.057 0.000 0.298 518 I C -0.908 175.350 176.117 0.236 0.000 0.989 518 I CA -0.760 60.689 61.300 0.247 0.000 1.173 518 I CB 1.982 40.088 38.000 0.177 0.000 1.338 518 I HN 0.376 nan 8.210 nan 0.000 0.456 519 L N 6.290 127.697 121.223 0.307 0.000 2.446 519 L HA 0.407 5.381 4.340 1.057 0.000 0.268 519 L C -0.724 176.287 176.870 0.234 0.000 0.975 519 L CA -0.781 54.231 54.840 0.287 0.000 0.848 519 L CB 1.427 43.736 42.059 0.416 0.000 1.225 519 L HN 0.636 nan 8.230 nan 0.000 0.410 520 N N 3.329 122.104 118.700 0.126 0.000 2.696 520 N HA -0.196 5.178 4.740 1.057 0.000 0.256 520 N C 0.348 175.898 175.510 0.067 0.000 1.031 520 N CA 1.060 54.160 53.050 0.083 0.000 0.730 520 N CB -0.587 37.944 38.487 0.073 0.000 0.894 520 N HN 0.782 nan 8.380 nan 0.000 0.544 521 E N -3.387 116.845 120.200 0.053 0.000 3.673 521 E HA -0.247 4.737 4.350 1.057 0.000 0.309 521 E C 0.195 176.789 176.600 -0.010 0.000 0.819 521 E CA 1.864 58.278 56.400 0.024 0.000 1.111 521 E CB -1.417 28.291 29.700 0.013 0.000 1.561 521 E HN 0.725 nan 8.360 nan 0.000 0.450 522 T N -0.108 114.430 114.554 -0.027 0.000 2.886 522 T HA 0.449 5.433 4.350 1.057 0.000 0.292 522 T C -0.542 173.949 174.700 -0.348 0.000 1.012 522 T CA -0.862 61.123 62.100 -0.193 0.000 0.982 522 T CB 1.284 70.004 68.868 -0.247 0.000 1.018 522 T HN 0.095 nan 8.240 nan 0.000 0.451 523 K N 3.361 123.528 120.400 -0.387 0.000 2.174 523 K HA 0.537 5.491 4.320 1.057 0.000 0.275 523 K C -1.155 175.136 176.600 -0.514 0.000 1.015 523 K CA -0.559 55.535 56.287 -0.321 0.000 0.933 523 K CB 0.804 33.052 32.500 -0.419 0.000 1.025 523 K HN 0.464 nan 8.250 nan 0.000 0.463 524 F N 1.070 121.139 119.950 0.197 0.000 2.539 524 F HA 0.307 5.469 4.527 1.057 0.000 0.318 524 F C -0.724 175.238 175.800 0.270 0.000 1.135 524 F CA -0.941 57.194 58.000 0.224 0.000 0.915 524 F CB 1.229 40.363 39.000 0.223 0.000 1.176 524 F HN 0.504 nan 8.300 nan 0.000 0.440 525 W N 3.282 124.781 121.300 0.332 0.000 2.283 525 W HA 0.515 5.809 4.660 1.056 0.000 0.341 525 W C -0.542 176.219 176.519 0.404 0.000 1.206 525 W CA -0.550 56.997 57.345 0.337 0.000 1.294 525 W CB 0.549 30.122 29.460 0.189 0.000 1.154 525 W HN 0.446 nan 8.180 nan 0.000 0.613 526 Y N -0.759 119.880 120.300 0.565 0.000 2.655 526 Y HA 0.669 5.852 4.550 1.055 0.000 0.336 526 Y C -1.134 174.984 175.900 0.363 0.000 1.154 526 Y CA -1.894 56.517 58.100 0.519 0.000 1.055 526 Y CB 1.106 40.008 38.460 0.737 0.000 1.295 526 Y HN 0.561 nan 8.280 nan 0.000 0.465 527 Q N 1.727 121.796 119.800 0.449 0.000 2.416 527 Q HA 0.768 5.742 4.340 1.057 0.000 0.281 527 Q C -1.931 174.195 176.000 0.210 0.000 1.067 527 Q CA -1.169 54.759 55.803 0.208 0.000 0.809 527 Q CB 3.365 32.189 28.738 0.143 0.000 1.418 527 Q HN 0.852 nan 8.270 nan 0.000 0.411 528 M N 2.347 121.985 119.600 0.064 0.000 2.326 528 M HA 0.427 5.541 4.480 1.057 0.000 0.292 528 M C -1.340 174.882 176.300 -0.129 0.000 1.081 528 M CA -0.906 54.365 55.300 -0.048 0.000 0.919 528 M CB 2.257 34.785 32.600 -0.121 0.000 1.634 528 M HN 0.607 nan 8.290 nan 0.000 0.451 529 I N 5.001 125.490 120.570 -0.135 0.000 2.301 529 I HA 0.341 5.145 4.170 1.057 0.000 0.292 529 I C -0.331 175.632 176.117 -0.257 0.000 1.046 529 I CA -0.218 60.979 61.300 -0.172 0.000 1.282 529 I CB 0.025 37.939 38.000 -0.143 0.000 1.409 529 I HN 0.636 nan 8.210 nan 0.000 0.484 530 L N 8.396 129.415 121.223 -0.339 0.000 2.325 530 L HA 0.444 5.418 4.340 1.057 0.000 0.279 530 L C -2.126 174.546 176.870 -0.330 0.000 1.054 530 L CA -1.744 52.795 54.840 -0.502 0.000 0.804 530 L CB 1.153 42.713 42.059 -0.833 0.000 1.200 530 L HN 0.265 nan 8.230 nan 0.000 0.436 531 P HA 0.117 nan 4.420 nan 0.000 0.271 531 P C -2.507 174.744 177.300 -0.082 0.000 1.233 531 P CA -0.939 62.061 63.100 -0.166 0.000 0.789 531 P CB -0.103 31.517 31.700 -0.133 0.000 0.951 532 P HA 0.008 nan 4.420 nan 0.000 0.269 532 P C -0.430 176.908 177.300 0.063 0.000 1.215 532 P CA 0.346 63.420 63.100 -0.043 0.000 0.780 532 P CB -0.281 31.270 31.700 -0.248 0.000 0.898 533 H N -1.739 117.367 119.070 0.061 0.000 2.713 533 H HA -0.230 4.960 4.556 1.057 0.000 0.311 533 H C -0.058 175.338 175.328 0.113 0.000 1.175 533 H CA -0.659 55.432 56.048 0.072 0.000 1.143 533 H CB -1.976 27.820 29.762 0.056 0.000 1.434 533 H HN 0.335 nan 8.280 nan 0.000 0.418 534 F N 2.800 122.777 119.950 0.046 0.000 2.593 534 F HA 0.044 5.206 4.527 1.059 0.000 0.393 534 F C 0.565 176.388 175.800 0.038 0.000 1.037 534 F CA -0.052 57.919 58.000 -0.049 0.000 1.195 534 F CB 0.411 39.286 39.000 -0.209 0.000 1.034 534 F HN 0.248 nan 8.300 nan 0.000 0.552 535 D N 5.726 125.886 120.400 -0.399 0.000 2.461 535 D HA 0.150 5.424 4.640 1.057 0.000 0.240 535 D C 0.586 176.561 176.300 -0.540 0.000 1.094 535 D CA -0.614 53.172 54.000 -0.357 0.000 0.868 535 D CB 0.820 41.560 40.800 -0.099 0.000 1.062 535 D HN 0.632 nan 8.370 nan 0.000 0.530 536 K N 1.547 121.537 120.400 -0.682 0.000 2.589 536 K HA -0.129 4.825 4.320 1.057 0.000 0.195 536 K C 1.261 177.837 176.600 -0.040 0.000 1.040 536 K CA 0.874 56.945 56.287 -0.359 0.000 0.950 536 K CB 0.098 32.537 32.500 -0.102 0.000 0.781 536 K HN 0.171 nan 8.250 nan 0.000 0.486 537 S N 0.326 115.967 115.700 -0.098 0.000 2.388 537 S HA -0.008 5.097 4.470 1.057 0.000 0.223 537 S C 0.812 175.372 174.600 -0.067 0.000 1.034 537 S CA 0.059 58.226 58.200 -0.055 0.000 0.963 537 S CB 0.031 63.192 63.200 -0.064 0.000 0.827 537 S HN 0.348 nan 8.310 nan 0.000 0.481 538 K N 1.015 121.344 120.400 -0.119 0.000 2.180 538 K HA 0.181 5.135 4.320 1.057 0.000 0.251 538 K C -0.573 175.890 176.600 -0.227 0.000 1.014 538 K CA -0.164 55.986 56.287 -0.228 0.000 0.913 538 K CB 0.380 32.645 32.500 -0.393 0.000 1.008 538 K HN 0.097 nan 8.250 nan 0.000 0.490 539 K N 2.408 122.622 120.400 -0.310 0.000 2.235 539 K HA 0.263 5.217 4.320 1.057 0.000 0.266 539 K C -1.012 175.390 176.600 -0.329 0.000 0.980 539 K CA -0.378 55.798 56.287 -0.184 0.000 0.849 539 K CB 0.985 33.406 32.500 -0.131 0.000 1.098 539 K HN 0.400 nan 8.250 nan 0.000 0.445 540 Y N 2.316 122.639 120.300 0.039 0.000 2.509 540 Y HA 0.344 5.529 4.550 1.057 0.000 0.341 540 Y C -1.883 173.950 175.900 -0.112 0.000 1.038 540 Y CA -2.284 55.814 58.100 -0.004 0.000 1.089 540 Y CB 1.565 40.085 38.460 0.100 0.000 1.241 540 Y HN 0.447 nan 8.280 nan 0.000 0.468 541 P HA 0.261 nan 4.420 nan 0.000 0.276 541 P C -1.236 175.918 177.300 -0.243 0.000 1.244 541 P CA -0.317 62.488 63.100 -0.492 0.000 0.801 541 P CB 1.844 32.833 31.700 -1.185 0.000 1.006 542 L N 1.978 123.107 121.223 -0.156 0.000 2.438 542 L HA 0.479 5.453 4.340 1.057 0.000 0.270 542 L C -1.254 175.814 176.870 0.330 0.000 0.972 542 L CA -0.938 53.963 54.840 0.101 0.000 0.831 542 L CB 1.603 43.723 42.059 0.102 0.000 1.273 542 L HN 0.239 nan 8.230 nan 0.000 0.405 543 L N 5.719 127.155 121.223 0.356 0.000 2.265 543 L HA 0.410 5.385 4.340 1.057 0.000 0.289 543 L C -1.092 176.017 176.870 0.399 0.000 1.033 543 L CA -0.822 54.280 54.840 0.436 0.000 0.814 543 L CB 1.663 43.929 42.059 0.345 0.000 1.203 543 L HN 0.631 nan 8.230 nan 0.000 0.423 544 L N 5.471 126.974 121.223 0.468 0.000 2.261 544 L HA 0.302 5.277 4.340 1.057 0.000 0.289 544 L C -0.233 176.865 176.870 0.380 0.000 1.059 544 L CA 0.093 55.190 54.840 0.429 0.000 0.816 544 L CB 0.763 43.120 42.059 0.496 0.000 1.191 544 L HN 0.472 nan 8.230 nan 0.000 0.431 545 D N 4.428 125.027 120.400 0.331 0.000 2.347 545 D HA 0.253 5.527 4.640 1.057 0.000 0.235 545 D C -1.004 175.365 176.300 0.114 0.000 1.149 545 D CA 0.114 54.227 54.000 0.188 0.000 0.850 545 D CB 1.235 42.213 40.800 0.296 0.000 1.061 545 D HN 0.337 nan 8.370 nan 0.000 0.487 546 V N 5.409 125.318 119.914 -0.008 0.000 2.823 546 V HA 0.480 5.234 4.120 1.057 0.000 0.312 546 V C -1.065 175.106 176.094 0.128 0.000 1.072 546 V CA -0.425 61.935 62.300 0.101 0.000 0.937 546 V CB 1.892 33.782 31.823 0.111 0.000 1.013 546 V HN 0.671 nan 8.190 nan 0.000 0.430 547 Y N 4.844 125.207 120.300 0.106 0.000 3.266 547 Y HA 0.563 5.733 4.550 1.033 0.000 0.189 547 Y C 1.465 177.510 175.900 0.242 0.000 0.895 547 Y CA 1.016 59.209 58.100 0.156 0.000 1.706 547 Y CB 0.282 38.812 38.460 0.117 0.000 1.449 547 Y HN 1.110 nan 8.280 nan 0.000 0.391 548 A N 1.170 124.091 122.820 0.168 0.000 2.860 548 A HA -0.137 4.817 4.320 1.057 0.000 0.267 548 A C 0.677 178.117 177.584 -0.239 0.000 1.421 548 A CA 0.920 52.998 52.037 0.068 0.000 0.831 548 A CB -2.377 16.723 19.000 0.166 0.000 1.041 548 A HN 0.952 nan 8.150 nan 0.000 0.623 549 G N -0.547 107.865 108.800 -0.648 0.000 2.562 549 G HA2 0.573 5.167 3.960 1.057 0.000 0.275 549 G HA3 0.573 5.167 3.960 1.057 0.000 0.275 549 G C -1.983 172.575 174.900 -0.570 0.000 1.196 549 G CA -0.968 43.338 45.100 -1.323 0.000 0.908 549 G HN 0.371 nan 8.290 nan 0.000 0.524 550 P HA 0.012 nan 4.420 nan 0.000 0.261 550 P C 0.564 177.672 177.300 -0.321 0.000 1.183 550 P CA 0.279 63.053 63.100 -0.543 0.000 0.761 550 P CB 0.651 31.622 31.700 -1.215 0.000 0.785 551 C N 2.557 121.750 119.300 -0.178 0.000 4.529 551 C HA -0.121 4.973 4.460 1.057 0.000 0.296 551 C C 0.843 175.829 174.990 -0.006 0.000 1.353 551 C CA 1.044 59.931 59.018 -0.218 0.000 2.011 551 C CB -2.646 24.818 27.740 -0.461 0.000 1.235 551 C HN 0.830 nan 8.230 nan 0.000 0.784 552 S N -0.066 115.696 115.700 0.104 0.000 2.747 552 S HA 0.769 5.873 4.470 1.057 0.000 0.300 552 S C -0.802 173.964 174.600 0.277 0.000 1.121 552 S CA -0.101 58.269 58.200 0.283 0.000 0.995 552 S CB 1.889 65.338 63.200 0.414 0.000 1.113 552 S HN 0.885 nan 8.310 nan 0.000 0.547 553 Q N -0.176 119.817 119.800 0.323 0.000 2.309 553 Q HA 0.390 5.364 4.340 1.057 0.000 0.254 553 Q C -0.768 175.364 176.000 0.221 0.000 0.938 553 Q CA -0.585 55.394 55.803 0.293 0.000 0.789 553 Q CB 1.200 30.168 28.738 0.385 0.000 1.313 553 Q HN 0.665 nan 8.270 nan 0.000 0.438 554 K N 1.122 121.648 120.400 0.210 0.000 2.355 554 K HA 0.328 5.282 4.320 1.057 0.000 0.198 554 K C -0.300 176.408 176.600 0.179 0.000 1.039 554 K CA 0.343 56.741 56.287 0.185 0.000 1.075 554 K CB 1.388 34.019 32.500 0.218 0.000 0.870 554 K HN 0.511 nan 8.250 nan 0.000 0.540 555 A N 2.851 125.791 122.820 0.200 0.000 2.273 555 A HA 0.423 5.378 4.320 1.057 0.000 0.320 555 A C -0.756 176.916 177.584 0.145 0.000 1.358 555 A CA -0.478 51.685 52.037 0.210 0.000 0.910 555 A CB 0.103 19.289 19.000 0.311 0.000 1.159 555 A HN 0.262 nan 8.150 nan 0.000 0.526 556 D N -0.153 120.301 120.400 0.091 0.000 2.677 556 D HA 0.376 5.650 4.640 1.057 0.000 0.298 556 D C 0.351 176.659 176.300 0.013 0.000 1.250 556 D CA 0.257 54.289 54.000 0.054 0.000 0.888 556 D CB 0.252 41.068 40.800 0.026 0.000 1.397 556 D HN 0.169 nan 8.370 nan 0.000 0.461 557 T N -2.230 112.337 114.554 0.021 0.000 3.163 557 T HA 0.297 5.281 4.350 1.057 0.000 0.252 557 T C 0.512 175.162 174.700 -0.083 0.000 1.056 557 T CA -0.342 61.768 62.100 0.016 0.000 0.947 557 T CB -0.624 68.305 68.868 0.102 0.000 1.016 557 T HN 0.279 nan 8.240 nan 0.000 0.554 558 V N 2.599 122.360 119.914 -0.256 0.000 2.637 558 V HA 0.302 5.056 4.120 1.057 0.000 0.296 558 V C 0.129 176.171 176.094 -0.087 0.000 1.046 558 V CA -0.921 61.209 62.300 -0.283 0.000 1.066 558 V CB 0.008 31.558 31.823 -0.455 0.000 0.968 558 V HN 0.545 nan 8.190 nan 0.000 0.483 559 F N 6.431 126.285 119.950 -0.160 0.000 2.427 559 F HA 0.563 5.725 4.527 1.059 0.000 0.352 559 F C 0.502 176.244 175.800 -0.097 0.000 1.100 559 F CA -0.190 57.741 58.000 -0.115 0.000 1.191 559 F CB 0.318 39.258 39.000 -0.099 0.000 1.128 559 F HN 0.427 nan 8.300 nan 0.000 0.533 560 R N 6.491 126.538 120.500 -0.756 0.000 2.673 560 R HA 0.528 5.502 4.340 1.057 0.000 0.281 560 R C -1.633 174.236 176.300 -0.719 0.000 0.991 560 R CA -1.069 54.706 56.100 -0.543 0.000 0.896 560 R CB 2.147 32.284 30.300 -0.271 0.000 1.201 560 R HN 0.660 nan 8.270 nan 0.000 0.457 561 L N 4.217 125.204 121.223 -0.394 0.000 2.313 561 L HA 0.378 5.352 4.340 1.057 0.000 0.273 561 L C -0.624 176.199 176.870 -0.078 0.000 1.028 561 L CA -0.623 54.025 54.840 -0.319 0.000 0.871 561 L CB 0.401 42.421 42.059 -0.065 0.000 1.242 561 L HN 0.755 nan 8.230 nan 0.000 0.434 562 N N 0.207 118.788 118.700 -0.198 0.000 3.479 562 N HA 0.153 5.527 4.740 1.057 0.000 0.336 562 N C 0.222 175.414 175.510 -0.529 0.000 1.623 562 N CA -0.861 52.002 53.050 -0.312 0.000 0.759 562 N CB 0.155 38.569 38.487 -0.120 0.000 2.016 562 N HN 0.261 nan 8.380 nan 0.000 0.637 563 W N 0.592 121.349 121.300 -0.906 0.000 2.363 563 W HA 0.177 5.475 4.660 1.063 0.000 0.296 563 W C 2.017 178.500 176.519 -0.060 0.000 1.212 563 W CA 2.742 59.777 57.345 -0.516 0.000 1.260 563 W CB -0.932 28.360 29.460 -0.280 0.000 1.131 563 W HN 0.693 nan 8.180 nan 0.000 0.530 564 A N -0.523 122.247 122.820 -0.083 0.000 1.933 564 A HA -0.186 4.768 4.320 1.057 0.000 0.218 564 A C 1.950 179.415 177.584 -0.198 0.000 1.175 564 A CA 2.408 54.341 52.037 -0.173 0.000 0.628 564 A CB -1.275 17.711 19.000 -0.023 0.000 0.814 564 A HN 0.285 nan 8.150 nan 0.000 0.444 565 T N -1.023 113.424 114.554 -0.178 0.000 2.684 565 T HA -0.238 4.746 4.350 1.057 0.000 0.267 565 T C 1.818 176.519 174.700 0.001 0.000 1.036 565 T CA 1.821 63.789 62.100 -0.219 0.000 1.148 565 T CB -0.551 67.988 68.868 -0.549 0.000 0.863 565 T HN 0.669 nan 8.240 nan 0.000 0.436 566 Y N 2.137 122.504 120.300 0.110 0.000 2.128 566 Y HA -0.084 5.099 4.550 1.055 0.000 0.284 566 Y C 1.983 177.855 175.900 -0.045 0.000 1.154 566 Y CA 0.967 59.162 58.100 0.158 0.000 1.149 566 Y CB -0.793 37.743 38.460 0.127 0.000 0.976 566 Y HN 0.134 nan 8.280 nan 0.000 0.505 567 L N 0.097 120.878 121.223 -0.738 0.000 2.042 567 L HA -0.237 4.737 4.340 1.057 0.000 0.210 567 L C 2.819 179.430 176.870 -0.432 0.000 1.076 567 L CA 1.393 55.759 54.840 -0.790 0.000 0.749 567 L CB -0.992 40.655 42.059 -0.687 0.000 0.893 567 L HN 0.420 nan 8.230 nan 0.000 0.432 568 A N -1.239 121.406 122.820 -0.292 0.000 1.874 568 A HA -0.174 4.780 4.320 1.057 0.000 0.214 568 A C 2.513 180.007 177.584 -0.150 0.000 1.189 568 A CA 1.674 53.592 52.037 -0.198 0.000 0.615 568 A CB -0.655 18.232 19.000 -0.189 0.000 0.830 568 A HN 0.330 nan 8.150 nan 0.000 0.443 569 S N -1.075 114.557 115.700 -0.114 0.000 2.356 569 S HA -0.124 4.980 4.470 1.057 0.000 0.223 569 S C 1.990 176.571 174.600 -0.031 0.000 1.032 569 S CA 2.346 60.521 58.200 -0.041 0.000 1.005 569 S CB -0.412 62.827 63.200 0.065 0.000 0.867 569 S HN 0.583 nan 8.310 nan 0.000 0.449 570 T N 1.173 115.693 114.554 -0.057 0.000 2.953 570 T HA 0.173 5.157 4.350 1.057 0.000 0.247 570 T C 1.439 176.090 174.700 -0.082 0.000 1.029 570 T CA 0.577 62.661 62.100 -0.027 0.000 1.144 570 T CB -0.146 68.777 68.868 0.091 0.000 0.870 570 T HN 0.293 nan 8.240 nan 0.000 0.446 571 E N 1.327 121.396 120.200 -0.218 0.000 2.489 571 E HA 0.139 5.124 4.350 1.057 0.000 0.193 571 E C -0.038 176.533 176.600 -0.049 0.000 1.057 571 E CA -0.063 56.256 56.400 -0.135 0.000 0.866 571 E CB -0.436 29.131 29.700 -0.222 0.000 0.916 571 E HN 0.524 nan 8.360 nan 0.000 0.500 572 N N 0.561 119.232 118.700 -0.049 0.000 2.725 572 N HA -0.201 5.174 4.740 1.057 0.000 0.251 572 N C -0.900 174.660 175.510 0.082 0.000 1.031 572 N CA 0.304 53.380 53.050 0.044 0.000 0.720 572 N CB -1.261 37.309 38.487 0.139 0.000 0.930 572 N HN 0.207 nan 8.380 nan 0.000 0.543 573 I N 0.615 121.173 120.570 -0.020 0.000 2.412 573 I HA 0.389 5.193 4.170 1.057 0.000 0.296 573 I C 0.532 176.616 176.117 -0.055 0.000 0.987 573 I CA -0.863 60.442 61.300 0.008 0.000 1.180 573 I CB 1.443 39.474 38.000 0.050 0.000 1.340 573 I HN 0.038 nan 8.210 nan 0.000 0.455 574 I N 6.071 126.621 120.570 -0.034 0.000 2.395 574 I HA 0.207 5.012 4.170 1.057 0.000 0.289 574 I C -0.492 175.610 176.117 -0.025 0.000 1.023 574 I CA -0.520 60.721 61.300 -0.099 0.000 1.350 574 I CB 1.268 39.214 38.000 -0.090 0.000 1.409 574 I HN 0.182 nan 8.210 nan 0.000 0.507 575 V N 6.761 126.646 119.914 -0.049 0.000 2.334 575 V HA 0.567 5.321 4.120 1.057 0.000 0.281 575 V C 0.358 176.481 176.094 0.048 0.000 1.016 575 V CA -0.423 61.898 62.300 0.035 0.000 0.832 575 V CB 1.088 32.919 31.823 0.013 0.000 0.999 575 V HN 0.839 nan 8.190 nan 0.000 0.439 576 A N 4.094 126.975 122.820 0.103 0.000 2.311 576 A HA 0.952 5.906 4.320 1.057 0.000 0.334 576 A C -0.098 177.641 177.584 0.259 0.000 1.139 576 A CA -0.506 51.598 52.037 0.111 0.000 0.830 576 A CB 1.565 20.515 19.000 -0.083 0.000 1.234 576 A HN 0.685 nan 8.150 nan 0.000 0.483 577 S N -0.277 115.620 115.700 0.329 0.000 2.540 577 S HA 0.689 5.793 4.470 1.057 0.000 0.275 577 S C -1.479 173.458 174.600 0.561 0.000 1.123 577 S CA -0.304 58.130 58.200 0.389 0.000 0.907 577 S CB 1.267 64.637 63.200 0.282 0.000 1.081 577 S HN 0.762 nan 8.310 nan 0.000 0.476 578 F N 1.976 122.156 119.950 0.383 0.000 2.556 578 F HA 0.522 5.682 4.527 1.056 0.000 0.314 578 F C -1.469 174.525 175.800 0.323 0.000 1.106 578 F CA -0.755 57.492 58.000 0.413 0.000 0.911 578 F CB 1.466 40.682 39.000 0.360 0.000 1.190 578 F HN 0.386 nan 8.300 nan 0.000 0.448 579 D N 4.479 124.610 120.400 -0.449 0.000 2.454 579 D HA 0.389 5.663 4.640 1.057 0.000 0.225 579 D C 0.300 176.203 176.300 -0.662 0.000 1.081 579 D CA 0.124 53.941 54.000 -0.305 0.000 0.864 579 D CB 1.524 42.342 40.800 0.030 0.000 1.040 579 D HN 0.779 nan 8.370 nan 0.000 0.517 580 G N 1.294 109.799 108.800 -0.491 0.000 2.702 580 G HA2 0.315 4.909 3.960 1.057 0.000 0.254 580 G HA3 0.315 4.909 3.960 1.057 0.000 0.254 580 G C 0.133 174.909 174.900 -0.207 0.000 1.380 580 G CA -0.737 44.069 45.100 -0.490 0.000 1.042 580 G HN 0.300 nan 8.290 nan 0.000 0.557 581 R N -0.824 119.551 120.500 -0.208 0.000 2.638 581 R HA 0.316 5.291 4.340 1.057 0.000 0.268 581 R C 1.371 177.724 176.300 0.088 0.000 1.006 581 R CA 1.685 57.801 56.100 0.028 0.000 1.088 581 R CB 0.273 30.607 30.300 0.056 0.000 0.950 581 R HN 1.104 nan 8.270 nan 0.000 0.419 582 G N 1.021 109.882 108.800 0.102 0.000 2.284 582 G HA2 -0.342 4.252 3.960 1.057 0.000 0.230 582 G HA3 -0.342 4.252 3.960 1.057 0.000 0.230 582 G C 0.157 175.068 174.900 0.018 0.000 1.021 582 G CA 0.160 45.305 45.100 0.075 0.000 0.619 582 G HN 0.768 nan 8.290 nan 0.000 0.510 583 S N 0.656 116.375 115.700 0.032 0.000 2.584 583 S HA 0.614 5.719 4.470 1.057 0.000 0.270 583 S C 0.926 175.504 174.600 -0.036 0.000 1.346 583 S CA 0.742 58.958 58.200 0.027 0.000 1.018 583 S CB 1.636 64.880 63.200 0.074 0.000 0.899 583 S HN 1.741 nan 8.310 nan 0.000 0.542 584 G N -0.600 108.126 108.800 -0.123 0.000 2.795 584 G HA2 0.498 5.093 3.960 1.057 0.000 0.267 584 G HA3 0.498 5.093 3.960 1.057 0.000 0.267 584 G C -0.879 173.857 174.900 -0.274 0.000 1.362 584 G CA -0.928 43.951 45.100 -0.368 0.000 1.048 584 G HN 0.927 nan 8.290 nan 0.000 0.547 585 Y N -2.194 118.110 120.300 0.007 0.000 4.753 585 Y HA -0.220 4.962 4.550 1.052 0.000 0.232 585 Y C 1.525 177.432 175.900 0.012 0.000 1.029 585 Y CA 1.184 59.294 58.100 0.016 0.000 1.996 585 Y CB -2.013 36.477 38.460 0.051 0.000 1.602 585 Y HN 0.502 nan 8.280 nan 0.000 0.621 586 Q N -0.055 119.760 119.800 0.025 0.000 2.112 586 Q HA 0.504 5.479 4.340 1.057 0.000 0.222 586 Q C 0.885 176.778 176.000 -0.178 0.000 0.798 586 Q CA 0.267 56.090 55.803 0.034 0.000 1.060 586 Q CB 1.590 30.364 28.738 0.061 0.000 1.184 586 Q HN 0.556 nan 8.270 nan 0.000 0.475 587 G N 0.728 109.282 108.800 -0.410 0.000 2.712 587 G HA2 -0.169 4.425 3.960 1.057 0.000 0.686 587 G HA3 -0.169 4.425 3.960 1.057 0.000 0.686 587 G C -0.509 174.024 174.900 -0.613 0.000 1.181 587 G CA -0.660 43.920 45.100 -0.866 0.000 0.762 587 G HN 0.104 nan 8.290 nan 0.000 0.641 588 D N 0.085 120.090 120.400 -0.659 0.000 2.263 588 D HA -0.070 5.204 4.640 1.057 0.000 0.208 588 D C 2.193 178.237 176.300 -0.428 0.000 0.971 588 D CA 1.321 54.906 54.000 -0.692 0.000 0.867 588 D CB 0.087 40.459 40.800 -0.713 0.000 0.929 588 D HN 0.601 nan 8.370 nan 0.000 0.492 589 K N 0.349 120.557 120.400 -0.321 0.000 2.097 589 K HA -0.086 4.868 4.320 1.057 0.000 0.206 589 K C 1.984 178.529 176.600 -0.091 0.000 1.049 589 K CA 0.808 56.998 56.287 -0.162 0.000 0.933 589 K CB 0.003 32.428 32.500 -0.125 0.000 0.717 589 K HN 0.135 nan 8.250 nan 0.000 0.442 590 I N 0.269 120.776 120.570 -0.104 0.000 2.400 590 I HA -0.187 4.617 4.170 1.057 0.000 0.248 590 I C 2.568 178.685 176.117 0.000 0.000 1.109 590 I CA 0.608 61.921 61.300 0.022 0.000 1.425 590 I CB -0.060 37.991 38.000 0.085 0.000 1.094 590 I HN 0.270 nan 8.210 nan 0.000 0.425 591 M N 0.155 119.675 119.600 -0.133 0.000 2.132 591 M HA -0.199 4.915 4.480 1.057 0.000 0.263 591 M C 1.833 178.147 176.300 0.024 0.000 1.065 591 M CA 1.965 57.195 55.300 -0.116 0.000 1.122 591 M CB -0.250 32.160 32.600 -0.317 0.000 1.365 591 M HN 0.249 nan 8.290 nan 0.000 0.411 592 H N -0.649 118.314 119.070 -0.179 0.000 2.543 592 H HA 0.197 5.386 4.556 1.055 0.000 0.269 592 H C 1.786 177.126 175.328 0.020 0.000 1.005 592 H CA 0.097 56.040 56.048 -0.175 0.000 1.146 592 H CB 0.167 29.731 29.762 -0.330 0.000 1.353 592 H HN 0.521 nan 8.280 nan 0.000 0.595 593 A N 1.467 124.391 122.820 0.173 0.000 2.076 593 A HA -0.126 4.828 4.320 1.057 0.000 0.220 593 A C 1.969 179.770 177.584 0.362 0.000 1.160 593 A CA 1.068 53.233 52.037 0.214 0.000 0.653 593 A CB -0.653 18.438 19.000 0.151 0.000 0.801 593 A HN 0.597 nan 8.150 nan 0.000 0.455 594 I N -3.548 117.197 120.570 0.292 0.000 3.914 594 I HA 0.194 4.998 4.170 1.057 0.000 0.333 594 I C 0.305 176.508 176.117 0.142 0.000 1.449 594 I CA -0.561 60.859 61.300 0.199 0.000 1.135 594 I CB -0.434 37.643 38.000 0.128 0.000 1.073 594 I HN 0.177 nan 8.210 nan 0.000 0.401 595 N N 3.091 121.922 118.700 0.218 0.000 2.411 595 N HA -0.058 5.316 4.740 1.057 0.000 0.261 595 N C 0.185 175.724 175.510 0.049 0.000 1.248 595 N CA 0.316 53.496 53.050 0.216 0.000 0.885 595 N CB 0.356 38.924 38.487 0.135 0.000 1.062 595 N HN 0.419 nan 8.380 nan 0.000 0.471 596 R N 0.693 121.196 120.500 0.006 0.000 4.000 596 R HA -0.190 4.784 4.340 1.057 0.000 0.362 596 R C -0.244 175.923 176.300 -0.220 0.000 1.183 596 R CA 0.793 56.847 56.100 -0.076 0.000 1.011 596 R CB -0.894 29.381 30.300 -0.042 0.000 1.501 596 R HN 0.569 nan 8.270 nan 0.000 0.553 597 R N 0.319 120.668 120.500 -0.252 0.000 2.661 597 R HA 0.261 5.236 4.340 1.057 0.000 0.429 597 R C -0.827 175.362 176.300 -0.185 0.000 1.044 597 R CA -0.491 55.307 56.100 -0.504 0.000 1.065 597 R CB 0.449 30.476 30.300 -0.455 0.000 1.377 597 R HN -0.072 nan 8.270 nan 0.000 0.600 598 L N -0.206 121.005 121.223 -0.020 0.000 2.499 598 L HA 0.220 5.194 4.340 1.057 0.000 0.281 598 L C 1.595 178.683 176.870 0.364 0.000 1.234 598 L CA 1.740 56.628 54.840 0.079 0.000 0.839 598 L CB 0.333 42.217 42.059 -0.292 0.000 1.104 598 L HN 0.690 nan 8.230 nan 0.000 0.500 599 G N 0.688 109.753 108.800 0.442 0.000 2.153 599 G HA2 -0.326 4.268 3.960 1.057 0.000 0.252 599 G HA3 -0.326 4.268 3.960 1.057 0.000 0.252 599 G C 0.620 175.612 174.900 0.155 0.000 0.994 599 G CA 1.152 46.486 45.100 0.390 0.000 0.698 599 G HN 0.932 nan 8.290 nan 0.000 0.521 600 T N -3.379 111.202 114.554 0.044 0.000 3.330 600 T HA 0.453 5.437 4.350 1.057 0.000 0.185 600 T C 1.685 176.345 174.700 -0.067 0.000 0.874 600 T CA 0.941 62.963 62.100 -0.130 0.000 1.268 600 T CB -0.109 68.470 68.868 -0.482 0.000 1.866 600 T HN 0.157 nan 8.240 nan 0.000 0.395 601 F N 3.506 123.493 119.950 0.062 0.000 2.216 601 F HA 0.092 5.252 4.527 1.057 0.000 0.300 601 F C 2.769 178.597 175.800 0.047 0.000 1.085 601 F CA 0.996 59.021 58.000 0.041 0.000 1.326 601 F CB -0.749 38.268 39.000 0.029 0.000 1.027 601 F HN 0.494 nan 8.300 nan 0.000 0.497 602 E N 1.325 121.664 120.200 0.232 0.000 2.152 602 E HA -0.138 4.846 4.350 1.057 0.000 0.192 602 E C 2.263 178.961 176.600 0.163 0.000 0.983 602 E CA 1.629 58.144 56.400 0.191 0.000 0.818 602 E CB -1.255 28.565 29.700 0.200 0.000 0.758 602 E HN 0.367 nan 8.360 nan 0.000 0.467 603 V N 0.443 120.431 119.914 0.122 0.000 2.407 603 V HA -0.152 4.602 4.120 1.057 0.000 0.245 603 V C 2.015 178.148 176.094 0.065 0.000 1.041 603 V CA 1.824 64.157 62.300 0.055 0.000 1.040 603 V CB -0.416 31.382 31.823 -0.041 0.000 0.671 603 V HN 0.108 nan 8.190 nan 0.000 0.455 604 E N 0.413 120.667 120.200 0.090 0.000 2.085 604 E HA -0.231 4.753 4.350 1.057 0.000 0.194 604 E C 1.979 178.616 176.600 0.062 0.000 0.994 604 E CA 1.784 58.235 56.400 0.085 0.000 0.801 604 E CB -0.290 29.491 29.700 0.135 0.000 0.743 604 E HN 0.657 nan 8.360 nan 0.000 0.453 605 D N 0.430 120.885 120.400 0.092 0.000 2.144 605 D HA -0.146 5.128 4.640 1.057 0.000 0.199 605 D C 1.997 178.310 176.300 0.021 0.000 0.984 605 D CA 0.782 54.821 54.000 0.064 0.000 0.834 605 D CB -0.167 40.725 40.800 0.153 0.000 0.955 605 D HN 0.048 nan 8.370 nan 0.000 0.465 606 Q N 0.306 120.183 119.800 0.129 0.000 2.084 606 Q HA -0.064 4.911 4.340 1.057 0.000 0.202 606 Q C 2.538 178.573 176.000 0.059 0.000 0.978 606 Q CA 0.633 56.517 55.803 0.136 0.000 0.844 606 Q CB -0.396 28.432 28.738 0.150 0.000 0.898 606 Q HN 0.432 nan 8.270 nan 0.000 0.426 607 I N 0.581 121.198 120.570 0.078 0.000 2.179 607 I HA -0.239 4.566 4.170 1.057 0.000 0.242 607 I C 2.336 178.405 176.117 -0.079 0.000 1.088 607 I CA 1.039 62.409 61.300 0.116 0.000 1.357 607 I CB -0.272 37.787 38.000 0.099 0.000 1.051 607 I HN 0.161 nan 8.210 nan 0.000 0.409 608 E N 1.181 121.288 120.200 -0.156 0.000 2.085 608 E HA -0.211 4.773 4.350 1.057 0.000 0.194 608 E C 2.241 178.547 176.600 -0.490 0.000 0.994 608 E CA 1.565 57.811 56.400 -0.257 0.000 0.801 608 E CB -0.164 29.409 29.700 -0.212 0.000 0.743 608 E HN 0.464 nan 8.360 nan 0.000 0.453 609 A N 1.097 123.461 122.820 -0.760 0.000 1.883 609 A HA -0.145 4.809 4.320 1.057 0.000 0.217 609 A C 2.437 179.221 177.584 -1.334 0.000 1.186 609 A CA 2.489 53.740 52.037 -1.309 0.000 0.624 609 A CB -0.780 17.230 19.000 -1.651 0.000 0.822 609 A HN 0.308 nan 8.150 nan 0.000 0.444 610 A N -0.597 121.841 122.820 -0.638 0.000 1.933 610 A HA -0.152 4.802 4.320 1.057 0.000 0.218 610 A C 2.237 179.616 177.584 -0.342 0.000 1.175 610 A CA 1.737 53.591 52.037 -0.306 0.000 0.628 610 A CB -0.490 18.450 19.000 -0.100 0.000 0.814 610 A HN 0.569 nan 8.150 nan 0.000 0.444 611 R N -0.508 119.782 120.500 -0.349 0.000 2.081 611 R HA -0.170 4.805 4.340 1.057 0.000 0.235 611 R C 2.357 178.497 176.300 -0.268 0.000 1.131 611 R CA 1.843 57.782 56.100 -0.269 0.000 0.960 611 R CB -0.286 29.884 30.300 -0.217 0.000 0.856 611 R HN 0.672 nan 8.270 nan 0.000 0.436 612 Q N -0.730 118.843 119.800 -0.377 0.000 2.079 612 Q HA -0.146 4.829 4.340 1.057 0.000 0.200 612 Q C 1.965 177.836 176.000 -0.216 0.000 0.974 612 Q CA 1.345 56.956 55.803 -0.320 0.000 0.840 612 Q CB -0.062 28.435 28.738 -0.401 0.000 0.898 612 Q HN 0.309 nan 8.270 nan 0.000 0.430 613 F N 1.043 120.850 119.950 -0.239 0.000 2.134 613 F HA -0.200 4.960 4.527 1.055 0.000 0.299 613 F C 2.772 178.429 175.800 -0.238 0.000 1.097 613 F CA 1.360 59.219 58.000 -0.235 0.000 1.264 613 F CB -1.326 37.567 39.000 -0.177 0.000 1.001 613 F HN 0.079 nan 8.300 nan 0.000 0.479 614 S N 0.033 115.714 115.700 -0.031 0.000 2.419 614 S HA -0.210 4.894 4.470 1.057 0.000 0.235 614 S C 1.578 176.099 174.600 -0.132 0.000 1.019 614 S CA 1.153 59.295 58.200 -0.096 0.000 0.982 614 S CB -0.659 62.464 63.200 -0.128 0.000 0.789 614 S HN 0.469 nan 8.310 nan 0.000 0.490 615 K N 0.158 120.476 120.400 -0.137 0.000 2.404 615 K HA 0.335 5.289 4.320 1.057 0.000 0.194 615 K C 1.591 178.084 176.600 -0.179 0.000 1.023 615 K CA -0.004 56.201 56.287 -0.137 0.000 1.094 615 K CB -0.180 32.251 32.500 -0.114 0.000 0.841 615 K HN 0.378 nan 8.250 nan 0.000 0.523 616 M N -0.346 119.092 119.600 -0.270 0.000 2.296 616 M HA -0.112 5.002 4.480 1.057 0.000 0.265 616 M C 1.363 177.371 176.300 -0.486 0.000 1.064 616 M CA 1.745 56.785 55.300 -0.433 0.000 1.109 616 M CB 0.108 32.259 32.600 -0.748 0.000 1.396 616 M HN 0.546 nan 8.290 nan 0.000 0.430 617 G N -0.375 108.180 108.800 -0.410 0.000 2.307 617 G HA2 -0.267 4.327 3.960 1.057 0.000 0.210 617 G HA3 -0.267 4.327 3.960 1.057 0.000 0.210 617 G C 0.485 175.308 174.900 -0.129 0.000 1.005 617 G CA 0.188 45.158 45.100 -0.217 0.000 0.634 617 G HN 0.534 nan 8.290 nan 0.000 0.496 618 F N 0.788 120.793 119.950 0.092 0.000 2.661 618 F HA 0.775 5.936 4.527 1.056 0.000 0.306 618 F C 0.193 176.121 175.800 0.214 0.000 1.094 618 F CA -1.231 56.864 58.000 0.159 0.000 1.254 618 F CB 0.186 39.342 39.000 0.260 0.000 1.040 618 F HN 0.077 nan 8.300 nan 0.000 0.562 619 V N 1.747 121.651 119.914 -0.017 0.000 2.417 619 V HA 0.216 4.970 4.120 1.057 0.000 0.291 619 V C -0.706 175.368 176.094 -0.034 0.000 1.024 619 V CA -0.764 61.553 62.300 0.028 0.000 0.861 619 V CB 1.486 33.269 31.823 -0.067 0.000 0.985 619 V HN 0.068 nan 8.190 nan 0.000 0.436 620 D N 4.534 124.914 120.400 -0.034 0.000 2.352 620 D HA 0.097 5.372 4.640 1.057 0.000 0.245 620 D C 1.225 177.475 176.300 -0.082 0.000 1.224 620 D CA 0.055 54.008 54.000 -0.077 0.000 0.879 620 D CB 0.625 41.359 40.800 -0.111 0.000 1.057 620 D HN 0.442 nan 8.370 nan 0.000 0.491 621 N N 3.637 122.289 118.700 -0.079 0.000 2.073 621 N HA -0.242 5.132 4.740 1.057 0.000 0.199 621 N C 1.152 176.621 175.510 -0.069 0.000 1.023 621 N CA 1.376 54.377 53.050 -0.083 0.000 0.880 621 N CB -0.052 38.389 38.487 -0.077 0.000 1.052 621 N HN 0.541 nan 8.380 nan 0.000 0.449 622 K N 0.282 120.650 120.400 -0.054 0.000 2.442 622 K HA 0.022 4.976 4.320 1.057 0.000 0.198 622 K C 0.441 177.043 176.600 0.004 0.000 1.042 622 K CA 0.613 56.884 56.287 -0.026 0.000 0.958 622 K CB 0.158 32.644 32.500 -0.024 0.000 0.766 622 K HN 0.139 nan 8.250 nan 0.000 0.474 623 R N 1.017 121.495 120.500 -0.036 0.000 2.835 623 R HA 0.330 5.304 4.340 1.057 0.000 0.290 623 R C -0.946 175.351 176.300 -0.004 0.000 1.410 623 R CA -0.135 55.948 56.100 -0.029 0.000 1.590 623 R CB 0.523 30.654 30.300 -0.280 0.000 1.288 623 R HN 0.012 nan 8.270 nan 0.000 0.637 624 I N 1.009 121.676 120.570 0.163 0.000 2.378 624 I HA 0.554 5.358 4.170 1.057 0.000 0.291 624 I C -0.044 176.362 176.117 0.482 0.000 0.992 624 I CA -0.704 60.731 61.300 0.226 0.000 1.154 624 I CB 1.929 39.906 38.000 -0.038 0.000 1.315 624 I HN 0.268 nan 8.210 nan 0.000 0.448 625 A N 6.914 130.129 122.820 0.659 0.000 2.435 625 A HA 0.912 5.867 4.320 1.057 0.000 0.296 625 A C -1.269 176.679 177.584 0.607 0.000 1.147 625 A CA -0.617 51.787 52.037 0.613 0.000 0.775 625 A CB 2.050 21.264 19.000 0.356 0.000 1.340 625 A HN 0.716 nan 8.150 nan 0.000 0.427 626 I N 0.647 121.462 120.570 0.408 0.000 2.686 626 I HA 0.751 5.555 4.170 1.057 0.000 0.295 626 I C -1.762 174.585 176.117 0.383 0.000 1.114 626 I CA -0.543 60.917 61.300 0.267 0.000 1.038 626 I CB 1.624 39.458 38.000 -0.277 0.000 1.238 626 I HN 0.916 nan 8.210 nan 0.000 0.420 627 W N 7.020 128.438 121.300 0.197 0.000 3.118 627 W HA 0.853 6.144 4.660 1.051 0.000 0.328 627 W C -1.508 175.160 176.519 0.248 0.000 1.239 627 W CA -0.988 56.491 57.345 0.225 0.000 1.176 627 W CB 1.144 30.794 29.460 0.316 0.000 1.433 627 W HN 0.829 nan 8.180 nan 0.000 0.562 628 G N 0.937 109.725 108.800 -0.020 0.000 2.601 628 G HA2 0.495 5.090 3.960 1.057 0.000 0.291 628 G HA3 0.495 5.090 3.960 1.057 0.000 0.291 628 G C -2.811 172.088 174.900 -0.002 0.000 1.456 628 G CA -0.692 44.227 45.100 -0.302 0.000 0.804 628 G HN 0.609 nan 8.290 nan 0.000 0.499 629 W N 0.881 122.086 121.300 -0.158 0.000 2.761 629 W HA 0.600 5.866 4.660 1.011 0.000 0.340 629 W C 0.835 177.417 176.519 0.106 0.000 1.072 629 W CA 0.332 57.682 57.345 0.008 0.000 1.215 629 W CB 1.950 31.424 29.460 0.023 0.000 1.420 629 W HN 1.354 nan 8.180 nan 0.000 0.519 630 S N 2.770 118.755 115.700 0.475 0.000 4.140 630 S HA -0.433 4.671 4.470 1.057 0.000 0.618 630 S C 1.107 175.863 174.600 0.260 0.000 1.896 630 S CA 1.947 60.426 58.200 0.466 0.000 4.240 630 S CB -1.904 61.695 63.200 0.665 0.000 0.208 630 S HN 0.760 nan 8.310 nan 0.000 0.487 631 Y N 2.487 122.848 120.300 0.101 0.000 2.293 631 Y HA 0.136 5.310 4.550 1.041 0.000 0.291 631 Y C 2.425 178.282 175.900 -0.072 0.000 1.137 631 Y CA 2.425 60.481 58.100 -0.074 0.000 1.202 631 Y CB -0.992 37.218 38.460 -0.416 0.000 0.990 631 Y HN 0.542 nan 8.280 nan 0.000 0.537 632 G N -0.879 107.980 108.800 0.097 0.000 2.432 632 G HA2 -0.223 4.371 3.960 1.057 0.000 0.219 632 G HA3 -0.223 4.371 3.960 1.057 0.000 0.219 632 G C 1.880 176.821 174.900 0.069 0.000 1.135 632 G CA 0.727 45.885 45.100 0.098 0.000 0.767 632 G HN 0.559 nan 8.290 nan 0.000 0.550 633 G N -0.244 108.616 108.800 0.100 0.000 2.403 633 G HA2 -0.196 4.398 3.960 1.057 0.000 0.216 633 G HA3 -0.196 4.398 3.960 1.057 0.000 0.216 633 G C 1.576 176.498 174.900 0.038 0.000 1.154 633 G CA 1.024 46.165 45.100 0.069 0.000 0.784 633 G HN 0.415 nan 8.290 nan 0.000 0.538 634 Y N 1.463 121.671 120.300 -0.154 0.000 2.114 634 Y HA -0.140 5.043 4.550 1.054 0.000 0.284 634 Y C 2.739 178.534 175.900 -0.174 0.000 1.143 634 Y CA 1.656 59.606 58.100 -0.249 0.000 1.135 634 Y CB -0.560 37.599 38.460 -0.501 0.000 0.980 634 Y HN 0.026 nan 8.280 nan 0.000 0.499 635 V N -0.161 119.572 119.914 -0.303 0.000 2.295 635 V HA -0.341 4.413 4.120 1.057 0.000 0.246 635 V C 2.349 178.307 176.094 -0.226 0.000 1.049 635 V CA 2.512 64.639 62.300 -0.289 0.000 1.024 635 V CB -1.231 30.584 31.823 -0.013 0.000 0.648 635 V HN 0.507 nan 8.190 nan 0.000 0.447 636 T N -0.246 114.239 114.554 -0.116 0.000 2.699 636 T HA -0.209 4.775 4.350 1.057 0.000 0.268 636 T C 2.113 176.750 174.700 -0.105 0.000 1.036 636 T CA 2.028 64.075 62.100 -0.088 0.000 1.147 636 T CB -0.251 68.646 68.868 0.048 0.000 0.862 636 T HN 0.509 nan 8.240 nan 0.000 0.446 637 S N 0.703 116.364 115.700 -0.065 0.000 2.371 637 S HA 0.048 5.153 4.470 1.057 0.000 0.224 637 S C 2.117 176.641 174.600 -0.126 0.000 1.029 637 S CA 0.762 58.961 58.200 -0.002 0.000 0.978 637 S CB -0.207 63.034 63.200 0.069 0.000 0.833 637 S HN 0.323 nan 8.310 nan 0.000 0.466 638 M N 0.979 120.400 119.600 -0.299 0.000 2.159 638 M HA -0.020 5.094 4.480 1.057 0.000 0.263 638 M C 2.176 178.320 176.300 -0.261 0.000 1.063 638 M CA 1.073 56.184 55.300 -0.316 0.000 1.110 638 M CB -1.363 30.936 32.600 -0.502 0.000 1.374 638 M HN 0.172 nan 8.290 nan 0.000 0.411 639 V N 0.652 120.404 119.914 -0.269 0.000 2.307 639 V HA -0.237 4.517 4.120 1.057 0.000 0.245 639 V C 2.505 178.412 176.094 -0.311 0.000 1.045 639 V CA 1.394 63.540 62.300 -0.257 0.000 1.024 639 V CB -0.665 30.951 31.823 -0.345 0.000 0.651 639 V HN 0.396 nan 8.190 nan 0.000 0.449 640 L N 0.466 121.439 121.223 -0.416 0.000 2.191 640 L HA -0.062 4.912 4.340 1.057 0.000 0.212 640 L C 2.144 178.484 176.870 -0.884 0.000 1.103 640 L CA 1.495 56.000 54.840 -0.557 0.000 0.769 640 L CB -0.673 41.026 42.059 -0.600 0.000 0.908 640 L HN 0.489 nan 8.230 nan 0.000 0.438 641 G N -1.514 106.761 108.800 -0.875 0.000 3.337 641 G HA2 -0.007 4.587 3.960 1.057 0.000 0.246 641 G HA3 -0.007 4.587 3.960 1.057 0.000 0.246 641 G C 1.435 176.158 174.900 -0.294 0.000 1.131 641 G CA 0.535 45.200 45.100 -0.725 0.000 0.773 641 G HN 0.405 nan 8.290 nan 0.000 0.544 642 S N -0.775 114.784 115.700 -0.236 0.000 2.470 642 S HA 0.305 5.409 4.470 1.057 0.000 0.225 642 S C 1.970 176.519 174.600 -0.085 0.000 1.006 642 S CA 1.139 59.268 58.200 -0.119 0.000 0.934 642 S CB -0.058 63.094 63.200 -0.078 0.000 0.778 642 S HN 1.364 nan 8.310 nan 0.000 0.517 643 G N 1.148 109.885 108.800 -0.104 0.000 2.157 643 G HA2 -0.342 4.253 3.960 1.057 0.000 0.239 643 G HA3 -0.342 4.253 3.960 1.057 0.000 0.239 643 G C 1.071 175.953 174.900 -0.029 0.000 0.982 643 G CA 0.963 46.025 45.100 -0.064 0.000 0.650 643 G HN 1.283 nan 8.290 nan 0.000 0.527 644 S N -0.051 115.643 115.700 -0.010 0.000 2.400 644 S HA 0.229 5.333 4.470 1.057 0.000 0.232 644 S C 2.689 177.290 174.600 0.001 0.000 1.025 644 S CA 2.074 60.281 58.200 0.011 0.000 0.993 644 S CB -0.475 62.762 63.200 0.061 0.000 0.808 644 S HN 2.491 nan 8.310 nan 0.000 0.478 645 G N -0.324 108.485 108.800 0.016 0.000 2.184 645 G HA2 -0.278 4.316 3.960 1.057 0.000 0.264 645 G HA3 -0.278 4.316 3.960 1.057 0.000 0.264 645 G C 0.753 175.637 174.900 -0.027 0.000 0.975 645 G CA 0.427 45.527 45.100 0.001 0.000 0.642 645 G HN 0.791 nan 8.290 nan 0.000 0.536 646 V N -0.536 119.343 119.914 -0.059 0.000 2.719 646 V HA 0.256 5.010 4.120 1.057 0.000 0.252 646 V C 1.138 176.972 176.094 -0.434 0.000 1.065 646 V CA 1.386 63.511 62.300 -0.291 0.000 1.086 646 V CB -0.377 31.151 31.823 -0.492 0.000 0.700 646 V HN 0.323 nan 8.190 nan 0.000 0.467 647 F N -0.269 119.694 119.950 0.022 0.000 2.443 647 F HA 0.409 5.573 4.527 1.062 0.000 0.335 647 F C 1.081 176.924 175.800 0.072 0.000 1.104 647 F CA -0.595 57.445 58.000 0.067 0.000 1.013 647 F CB 1.578 40.620 39.000 0.071 0.000 1.136 647 F HN -0.285 nan 8.300 nan 0.000 0.470 648 K N 1.518 122.082 120.400 0.272 0.000 2.098 648 K HA 0.082 5.036 4.320 1.057 0.000 0.203 648 K C 0.004 176.733 176.600 0.215 0.000 1.051 648 K CA 1.020 57.427 56.287 0.200 0.000 0.957 648 K CB 0.247 32.864 32.500 0.195 0.000 0.738 648 K HN 0.807 nan 8.250 nan 0.000 0.447 649 c N -3.002 115.763 118.600 0.276 0.000 3.320 649 c HA 0.905 6.109 4.570 1.057 0.000 0.335 649 c C -0.284 174.028 174.090 0.370 0.000 1.430 649 c CA -0.508 56.004 56.329 0.304 0.000 1.271 649 c CB 1.113 43.738 42.510 0.191 0.000 1.609 649 c HN 0.384 nan 8.230 nan 0.000 0.457 650 G N -0.037 109.050 108.800 0.478 0.000 2.632 650 G HA2 0.677 5.271 3.960 1.057 0.000 0.292 650 G HA3 0.677 5.271 3.960 1.057 0.000 0.292 650 G C -2.058 173.080 174.900 0.396 0.000 1.465 650 G CA -0.673 44.677 45.100 0.418 0.000 0.824 650 G HN 1.013 nan 8.290 nan 0.000 0.509 651 I N 0.584 121.348 120.570 0.325 0.000 2.498 651 I HA 0.662 5.467 4.170 1.057 0.000 0.290 651 I C 0.176 176.433 176.117 0.234 0.000 1.032 651 I CA -0.975 60.407 61.300 0.136 0.000 1.073 651 I CB 2.340 40.384 38.000 0.073 0.000 1.251 651 I HN 0.691 nan 8.210 nan 0.000 0.426 652 A N 6.145 129.009 122.820 0.072 0.000 2.319 652 A HA 0.790 5.744 4.320 1.057 0.000 0.310 652 A C -0.925 176.596 177.584 -0.105 0.000 1.152 652 A CA -0.524 51.558 52.037 0.075 0.000 0.783 652 A CB 1.265 20.369 19.000 0.172 0.000 1.184 652 A HN 0.430 nan 8.150 nan 0.000 0.474 653 V N 2.129 121.938 119.914 -0.175 0.000 2.384 653 V HA 0.577 5.331 4.120 1.057 0.000 0.287 653 V C 0.891 176.640 176.094 -0.575 0.000 1.020 653 V CA 0.367 62.338 62.300 -0.549 0.000 0.850 653 V CB 0.828 31.982 31.823 -1.115 0.000 0.987 653 V HN 2.160 nan 8.190 nan 0.000 0.436 654 A N 5.823 128.281 122.820 -0.603 0.000 2.466 654 A HA -0.099 4.855 4.320 1.057 0.000 0.295 654 A C -1.738 175.722 177.584 -0.206 0.000 1.465 654 A CA 0.392 51.965 52.037 -0.773 0.000 0.744 654 A CB -1.521 17.148 19.000 -0.551 0.000 1.098 654 A HN 0.612 nan 8.150 nan 0.000 0.402 655 P HA 0.419 nan 4.420 nan 0.000 0.277 655 P C 0.242 177.537 177.300 -0.008 0.000 1.240 655 P CA -0.204 62.902 63.100 0.009 0.000 0.798 655 P CB 1.356 33.076 31.700 0.034 0.000 0.979 656 V N 2.062 121.882 119.914 -0.158 0.000 2.775 656 V HA 0.097 4.852 4.120 1.057 0.000 0.299 656 V C 1.702 177.639 176.094 -0.262 0.000 1.062 656 V CA 1.022 63.078 62.300 -0.407 0.000 1.063 656 V CB 0.974 32.161 31.823 -1.060 0.000 0.994 656 V HN 0.871 nan 8.190 nan 0.000 0.483 657 S N 3.569 119.125 115.700 -0.241 0.000 2.593 657 S HA 0.258 5.362 4.470 1.057 0.000 0.235 657 S C 0.379 174.829 174.600 -0.250 0.000 1.059 657 S CA -0.291 57.843 58.200 -0.110 0.000 0.953 657 S CB 0.350 63.545 63.200 -0.008 0.000 0.897 657 S HN 0.854 nan 8.310 nan 0.000 0.507 658 R N -1.089 119.126 120.500 -0.476 0.000 2.522 658 R HA 0.441 5.415 4.340 1.057 0.000 0.273 658 R C -0.879 175.059 176.300 -0.604 0.000 1.133 658 R CA -0.827 54.924 56.100 -0.581 0.000 0.969 658 R CB -0.377 29.562 30.300 -0.601 0.000 1.235 658 R HN 0.126 nan 8.270 nan 0.000 0.433 659 W N 1.668 122.863 121.300 -0.175 0.000 2.341 659 W HA -0.100 5.187 4.660 1.045 0.000 0.283 659 W C 1.048 177.683 176.519 0.193 0.000 1.215 659 W CA 1.167 58.507 57.345 -0.008 0.000 1.211 659 W CB 0.158 29.535 29.460 -0.138 0.000 1.131 659 W HN 0.718 nan 8.180 nan 0.000 0.552 660 E N -1.116 119.225 120.200 0.235 0.000 2.409 660 E HA -0.180 4.804 4.350 1.057 0.000 0.198 660 E C 1.272 178.003 176.600 0.217 0.000 1.024 660 E CA 0.729 57.231 56.400 0.170 0.000 0.861 660 E CB -0.250 29.440 29.700 -0.016 0.000 0.788 660 E HN 0.389 nan 8.360 nan 0.000 0.521 661 Y N -1.267 119.124 120.300 0.152 0.000 2.517 661 Y HA 0.034 5.215 4.550 1.052 0.000 0.281 661 Y C 0.801 176.819 175.900 0.197 0.000 1.125 661 Y CA -0.233 57.933 58.100 0.110 0.000 1.283 661 Y CB -0.439 38.026 38.460 0.008 0.000 1.042 661 Y HN 0.020 nan 8.280 nan 0.000 0.547 662 Y N 2.055 122.517 120.300 0.269 0.000 2.334 662 Y HA 0.251 5.415 4.550 1.024 0.000 0.325 662 Y C 0.394 176.515 175.900 0.368 0.000 1.308 662 Y CA -2.111 56.164 58.100 0.292 0.000 1.389 662 Y CB 0.274 38.941 38.460 0.345 0.000 1.328 662 Y HN 0.210 nan 8.280 nan 0.000 0.532 663 D N -0.578 119.543 120.400 -0.465 0.000 2.382 663 D HA 0.083 5.358 4.640 1.057 0.000 0.240 663 D C 1.004 177.279 176.300 -0.042 0.000 1.146 663 D CA 0.405 54.200 54.000 -0.343 0.000 0.897 663 D CB 0.799 41.165 40.800 -0.723 0.000 1.197 663 D HN 0.475 nan 8.370 nan 0.000 0.432 664 S N 1.223 116.915 115.700 -0.012 0.000 2.353 664 S HA -0.246 4.859 4.470 1.057 0.000 0.222 664 S C 1.960 176.586 174.600 0.043 0.000 1.035 664 S CA 1.275 59.518 58.200 0.072 0.000 1.025 664 S CB -1.104 62.148 63.200 0.087 0.000 0.902 664 S HN 0.443 nan 8.310 nan 0.000 0.440 665 V N 0.661 120.532 119.914 -0.072 0.000 2.380 665 V HA -0.183 4.571 4.120 1.057 0.000 0.251 665 V C 2.277 178.275 176.094 -0.160 0.000 1.063 665 V CA 2.290 64.448 62.300 -0.235 0.000 1.055 665 V CB -1.084 30.429 31.823 -0.516 0.000 0.657 665 V HN 0.626 nan 8.190 nan 0.000 0.455 666 Y N 1.128 121.352 120.300 -0.127 0.000 2.177 666 Y HA -0.152 5.056 4.550 1.097 0.000 0.291 666 Y C 2.747 178.628 175.900 -0.032 0.000 1.117 666 Y CA 2.084 60.177 58.100 -0.012 0.000 1.114 666 Y CB -0.524 38.118 38.460 0.305 0.000 1.017 666 Y HN 0.195 nan 8.280 nan 0.000 0.505 667 T N 0.480 115.267 114.554 0.389 0.000 2.652 667 T HA -0.233 4.751 4.350 1.057 0.000 0.267 667 T C 1.599 176.278 174.700 -0.036 0.000 1.039 667 T CA 2.053 64.299 62.100 0.244 0.000 1.153 667 T CB -0.393 68.762 68.868 0.478 0.000 0.863 667 T HN 0.419 nan 8.240 nan 0.000 0.428 668 E N 0.507 120.721 120.200 0.023 0.000 2.110 668 E HA -0.152 4.832 4.350 1.057 0.000 0.193 668 E C 2.372 178.854 176.600 -0.196 0.000 0.988 668 E CA 0.762 57.163 56.400 0.002 0.000 0.804 668 E CB -0.160 29.585 29.700 0.074 0.000 0.745 668 E HN 0.345 nan 8.360 nan 0.000 0.458 669 R N 0.057 120.292 120.500 -0.440 0.000 2.117 669 R HA -0.209 4.766 4.340 1.057 0.000 0.243 669 R C 1.229 176.981 176.300 -0.912 0.000 1.143 669 R CA 1.679 57.326 56.100 -0.755 0.000 0.968 669 R CB -0.066 29.489 30.300 -1.242 0.000 0.863 669 R HN 0.245 nan 8.270 nan 0.000 0.444 670 Y N -2.236 117.747 120.300 -0.528 0.000 2.442 670 Y HA 0.264 5.444 4.550 1.050 0.000 0.250 670 Y C 1.447 177.152 175.900 -0.326 0.000 1.113 670 Y CA -0.087 57.699 58.100 -0.522 0.000 1.273 670 Y CB 0.620 38.638 38.460 -0.737 0.000 1.138 670 Y HN -0.017 nan 8.280 nan 0.000 0.522 671 M N -0.561 118.921 119.600 -0.196 0.000 2.300 671 M HA 0.388 5.502 4.480 1.057 0.000 0.313 671 M C 0.990 177.301 176.300 0.018 0.000 0.988 671 M CA 0.685 55.865 55.300 -0.200 0.000 1.012 671 M CB 0.044 32.296 32.600 -0.580 0.000 1.586 671 M HN 0.291 nan 8.290 nan 0.000 0.562 672 G N 1.997 110.829 108.800 0.054 0.000 2.697 672 G HA2 -0.200 4.394 3.960 1.057 0.000 0.240 672 G HA3 -0.200 4.394 3.960 1.057 0.000 0.240 672 G C -0.807 174.242 174.900 0.249 0.000 1.346 672 G CA -0.842 44.332 45.100 0.123 0.000 0.887 672 G HN 0.227 nan 8.290 nan 0.000 0.569 673 L N 2.452 123.778 121.223 0.171 0.000 2.350 673 L HA 0.492 5.466 4.340 1.057 0.000 0.275 673 L C -1.120 175.758 176.870 0.012 0.000 1.099 673 L CA -1.807 53.089 54.840 0.092 0.000 0.808 673 L CB 1.101 43.179 42.059 0.031 0.000 1.149 673 L HN 0.443 nan 8.230 nan 0.000 0.442 674 P HA 0.089 nan 4.420 nan 0.000 0.220 674 P C -0.592 176.551 177.300 -0.262 0.000 1.778 674 P CA -0.193 62.489 63.100 -0.697 0.000 0.912 674 P CB -0.411 30.490 31.700 -1.333 0.000 1.861 675 T N -3.039 111.454 114.554 -0.101 0.000 2.940 675 T HA 0.445 5.429 4.350 1.057 0.000 0.288 675 T C -1.860 172.836 174.700 -0.008 0.000 1.033 675 T CA -2.409 59.662 62.100 -0.049 0.000 1.033 675 T CB 1.861 70.712 68.868 -0.029 0.000 1.079 675 T HN -0.202 nan 8.240 nan 0.000 0.496 676 P HA -0.080 nan 4.420 nan 0.000 0.218 676 P C 0.824 178.137 177.300 0.022 0.000 1.149 676 P CA 1.150 64.260 63.100 0.015 0.000 0.817 676 P CB 0.150 31.856 31.700 0.010 0.000 0.785 677 E N -0.537 119.672 120.200 0.015 0.000 2.204 677 E HA -0.115 4.869 4.350 1.057 0.000 0.194 677 E C 1.655 178.271 176.600 0.027 0.000 0.989 677 E CA 0.943 57.353 56.400 0.017 0.000 0.824 677 E CB -0.454 29.251 29.700 0.009 0.000 0.756 677 E HN 0.346 nan 8.360 nan 0.000 0.477 678 D N -0.598 119.824 120.400 0.036 0.000 2.736 678 D HA 0.100 5.375 4.640 1.057 0.000 0.251 678 D C 0.467 176.821 176.300 0.089 0.000 1.348 678 D CA 0.082 54.115 54.000 0.056 0.000 1.160 678 D CB -0.039 40.796 40.800 0.058 0.000 0.928 678 D HN -0.005 nan 8.370 nan 0.000 0.228 679 N N -0.057 118.730 118.700 0.144 0.000 2.197 679 N HA 0.021 5.395 4.740 1.057 0.000 0.228 679 N C 1.530 177.232 175.510 0.319 0.000 1.212 679 N CA -0.136 53.048 53.050 0.223 0.000 0.883 679 N CB 0.823 39.466 38.487 0.261 0.000 1.107 679 N HN 0.014 nan 8.380 nan 0.000 0.519 680 L N 1.366 122.702 121.223 0.188 0.000 2.089 680 L HA -0.218 4.756 4.340 1.057 0.000 0.213 680 L C 1.390 178.366 176.870 0.176 0.000 1.079 680 L CA 1.956 56.877 54.840 0.134 0.000 0.758 680 L CB -0.434 41.635 42.059 0.017 0.000 0.891 680 L HN 0.157 nan 8.230 nan 0.000 0.433 681 D N -1.548 118.942 120.400 0.149 0.000 2.117 681 D HA -0.243 5.032 4.640 1.057 0.000 0.197 681 D C 1.988 178.380 176.300 0.153 0.000 0.987 681 D CA 1.741 55.817 54.000 0.126 0.000 0.829 681 D CB -0.131 40.731 40.800 0.105 0.000 0.961 681 D HN 0.605 nan 8.370 nan 0.000 0.460 682 H N -0.736 118.402 119.070 0.114 0.000 2.436 682 H HA -0.043 5.147 4.556 1.056 0.000 0.294 682 H C 1.715 177.113 175.328 0.118 0.000 1.048 682 H CA 1.080 57.174 56.048 0.076 0.000 1.353 682 H CB -0.274 29.496 29.762 0.014 0.000 1.414 682 H HN 0.104 nan 8.280 nan 0.000 0.536 683 Y N 0.469 120.756 120.300 -0.021 0.000 2.114 683 Y HA -0.231 4.953 4.550 1.055 0.000 0.282 683 Y C 2.400 178.254 175.900 -0.077 0.000 1.165 683 Y CA 1.669 59.761 58.100 -0.015 0.000 1.148 683 Y CB 0.092 38.576 38.460 0.040 0.000 0.972 683 Y HN 0.135 nan 8.280 nan 0.000 0.504 684 R N -0.343 120.221 120.500 0.106 0.000 2.148 684 R HA -0.077 4.898 4.340 1.057 0.000 0.223 684 R C 1.462 177.748 176.300 -0.023 0.000 1.088 684 R CA 1.017 57.133 56.100 0.027 0.000 0.985 684 R CB -0.845 29.474 30.300 0.033 0.000 0.880 684 R HN 0.366 nan 8.270 nan 0.000 0.451 685 N N 0.178 118.839 118.700 -0.066 0.000 2.463 685 N HA -0.062 5.312 4.740 1.057 0.000 0.181 685 N C 0.406 175.843 175.510 -0.123 0.000 1.078 685 N CA 0.675 53.683 53.050 -0.070 0.000 0.902 685 N CB 0.297 38.776 38.487 -0.015 0.000 0.970 685 N HN 0.120 nan 8.380 nan 0.000 0.451 686 S N -1.281 114.295 115.700 -0.208 0.000 2.588 686 S HA 0.124 5.228 4.470 1.057 0.000 0.245 686 S C 0.407 175.049 174.600 0.070 0.000 1.021 686 S CA -0.760 57.389 58.200 -0.086 0.000 1.006 686 S CB -0.566 62.504 63.200 -0.217 0.000 0.830 686 S HN 0.173 nan 8.310 nan 0.000 0.468 687 T N -1.373 113.181 114.554 -0.000 0.000 2.913 687 T HA 0.479 5.463 4.350 1.057 0.000 0.287 687 T C 1.321 176.025 174.700 0.007 0.000 1.008 687 T CA -0.606 61.486 62.100 -0.013 0.000 1.067 687 T CB 1.306 70.132 68.868 -0.069 0.000 0.996 687 T HN -0.026 nan 8.240 nan 0.000 0.513 688 V N 2.257 122.175 119.914 0.006 0.000 2.453 688 V HA -0.119 4.635 4.120 1.057 0.000 0.247 688 V C 2.604 178.675 176.094 -0.038 0.000 1.048 688 V CA 1.563 63.851 62.300 -0.019 0.000 1.049 688 V CB -0.967 30.833 31.823 -0.038 0.000 0.672 688 V HN 0.822 nan 8.190 nan 0.000 0.457 689 M N 1.216 120.781 119.600 -0.060 0.000 2.106 689 M HA -0.178 4.936 4.480 1.057 0.000 0.259 689 M C 2.395 178.673 176.300 -0.037 0.000 1.068 689 M CA 2.257 57.515 55.300 -0.070 0.000 1.100 689 M CB -1.044 31.526 32.600 -0.050 0.000 1.351 689 M HN 0.533 nan 8.290 nan 0.000 0.404 690 S N -0.394 115.295 115.700 -0.018 0.000 2.469 690 S HA -0.111 4.994 4.470 1.057 0.000 0.238 690 S C 1.800 176.409 174.600 0.016 0.000 0.998 690 S CA 0.874 59.072 58.200 -0.003 0.000 0.957 690 S CB -0.438 62.759 63.200 -0.004 0.000 0.764 690 S HN 0.528 nan 8.310 nan 0.000 0.514 691 R N 0.360 120.884 120.500 0.039 0.000 2.427 691 R HA 0.485 5.459 4.340 1.057 0.000 0.262 691 R C 2.187 178.595 176.300 0.181 0.000 0.943 691 R CA 0.415 56.564 56.100 0.082 0.000 1.081 691 R CB -0.254 30.092 30.300 0.076 0.000 1.166 691 R HN 0.460 nan 8.270 nan 0.000 0.534 692 A N 1.623 124.506 122.820 0.105 0.000 1.881 692 A HA -0.340 4.614 4.320 1.057 0.000 0.219 692 A C 1.983 179.672 177.584 0.175 0.000 1.215 692 A CA 2.148 54.227 52.037 0.070 0.000 0.648 692 A CB -0.447 18.527 19.000 -0.044 0.000 0.832 692 A HN 0.306 nan 8.150 nan 0.000 0.455 693 E N 0.266 120.526 120.200 0.101 0.000 2.136 693 E HA -0.228 4.756 4.350 1.057 0.000 0.202 693 E C 1.552 178.209 176.600 0.095 0.000 1.019 693 E CA 2.038 58.489 56.400 0.085 0.000 0.819 693 E CB -0.554 29.176 29.700 0.050 0.000 0.739 693 E HN 0.812 nan 8.360 nan 0.000 0.458 694 N N -1.334 117.413 118.700 0.078 0.000 2.571 694 N HA -0.037 5.337 4.740 1.057 0.000 0.189 694 N C 0.624 176.084 175.510 -0.083 0.000 1.154 694 N CA 0.020 53.060 53.050 -0.017 0.000 0.907 694 N CB -0.060 38.369 38.487 -0.097 0.000 0.977 694 N HN 0.148 nan 8.380 nan 0.000 0.449 695 F N 1.145 121.054 119.950 -0.069 0.000 2.661 695 F HA 0.092 5.252 4.527 1.055 0.000 0.298 695 F C 1.935 177.739 175.800 0.007 0.000 1.137 695 F CA 0.451 58.404 58.000 -0.079 0.000 1.454 695 F CB 0.159 39.066 39.000 -0.154 0.000 1.103 695 F HN -0.081 nan 8.300 nan 0.000 0.577 696 K N -0.057 120.436 120.400 0.154 0.000 2.152 696 K HA -0.202 4.753 4.320 1.057 0.000 0.206 696 K C 1.762 178.417 176.600 0.092 0.000 1.048 696 K CA 1.086 57.447 56.287 0.122 0.000 0.933 696 K CB -0.106 32.447 32.500 0.087 0.000 0.721 696 K HN 0.251 nan 8.250 nan 0.000 0.447 697 Q N 0.044 119.873 119.800 0.049 0.000 2.451 697 Q HA -0.001 4.973 4.340 1.057 0.000 0.206 697 Q C 0.999 177.032 176.000 0.054 0.000 0.947 697 Q CA 0.485 56.309 55.803 0.036 0.000 0.937 697 Q CB 0.027 28.765 28.738 0.001 0.000 1.025 697 Q HN 0.250 nan 8.270 nan 0.000 0.511 698 V N -3.069 116.890 119.914 0.074 0.000 3.158 698 V HA 0.542 5.296 4.120 1.057 0.000 0.311 698 V C -0.842 175.383 176.094 0.218 0.000 1.181 698 V CA -1.282 61.091 62.300 0.121 0.000 1.054 698 V CB 2.328 34.189 31.823 0.063 0.000 1.085 698 V HN -0.070 nan 8.190 nan 0.000 0.446 699 E N 0.938 121.301 120.200 0.272 0.000 2.133 699 E HA 0.470 5.454 4.350 1.057 0.000 0.274 699 E C -1.963 174.995 176.600 0.595 0.000 0.930 699 E CA -0.395 56.235 56.400 0.382 0.000 0.770 699 E CB 1.953 31.811 29.700 0.265 0.000 1.104 699 E HN 0.684 nan 8.360 nan 0.000 0.403 700 Y N 3.327 123.889 120.300 0.438 0.000 2.409 700 Y HA 0.455 5.639 4.550 1.056 0.000 0.343 700 Y C -1.554 174.445 175.900 0.165 0.000 0.973 700 Y CA -1.160 57.148 58.100 0.347 0.000 1.064 700 Y CB 1.030 39.720 38.460 0.385 0.000 1.207 700 Y HN 0.439 nan 8.280 nan 0.000 0.452 701 L N 7.825 128.802 121.223 -0.411 0.000 2.343 701 L HA 0.493 5.468 4.340 1.057 0.000 0.278 701 L C -1.694 174.739 176.870 -0.728 0.000 0.996 701 L CA -0.745 53.696 54.840 -0.666 0.000 0.831 701 L CB 1.157 42.546 42.059 -1.117 0.000 1.232 701 L HN 0.659 nan 8.230 nan 0.000 0.413 702 L N 6.354 127.216 121.223 -0.602 0.000 2.313 702 L HA 0.611 5.585 4.340 1.057 0.000 0.283 702 L C -0.970 175.768 176.870 -0.219 0.000 1.013 702 L CA -0.510 54.035 54.840 -0.491 0.000 0.816 702 L CB 1.725 43.526 42.059 -0.430 0.000 1.236 702 L HN 0.605 nan 8.230 nan 0.000 0.419 703 I N 3.318 123.776 120.570 -0.186 0.000 2.582 703 I HA 0.425 5.229 4.170 1.057 0.000 0.292 703 I C -1.193 174.906 176.117 -0.030 0.000 1.066 703 I CA -0.681 60.562 61.300 -0.095 0.000 1.053 703 I CB 2.395 40.303 38.000 -0.153 0.000 1.241 703 I HN 0.614 nan 8.210 nan 0.000 0.421 704 H N 2.083 121.202 119.070 0.081 0.000 3.085 704 H HA 0.517 5.714 4.556 1.068 0.000 0.356 704 H C -0.388 175.163 175.328 0.372 0.000 1.178 704 H CA -0.578 55.570 56.048 0.168 0.000 1.214 704 H CB 2.094 31.904 29.762 0.081 0.000 1.881 704 H HN 0.744 nan 8.280 nan 0.000 0.538 705 G N 0.721 109.875 108.800 0.591 0.000 2.390 705 G HA2 0.227 4.821 3.960 1.057 0.000 0.270 705 G HA3 0.227 4.821 3.960 1.057 0.000 0.270 705 G C 1.100 176.285 174.900 0.475 0.000 1.211 705 G CA 0.131 45.529 45.100 0.497 0.000 0.842 705 G HN 0.747 nan 8.290 nan 0.000 0.519 706 T N -0.760 113.920 114.554 0.209 0.000 2.995 706 T HA 0.106 5.090 4.350 1.057 0.000 0.269 706 T C 1.713 176.395 174.700 -0.030 0.000 1.091 706 T CA 1.220 63.255 62.100 -0.109 0.000 1.128 706 T CB 0.180 68.897 68.868 -0.251 0.000 0.891 706 T HN 0.665 nan 8.240 nan 0.000 0.492 707 A N 1.102 123.985 122.820 0.105 0.000 2.577 707 A HA 0.293 5.247 4.320 1.057 0.000 0.280 707 A C 0.439 177.988 177.584 -0.057 0.000 1.331 707 A CA -0.503 51.578 52.037 0.073 0.000 0.935 707 A CB -0.348 18.959 19.000 0.512 0.000 1.082 707 A HN 0.397 nan 8.150 nan 0.000 0.525 708 D N 1.545 121.931 120.400 -0.023 0.000 2.346 708 D HA -0.018 5.257 4.640 1.057 0.000 0.260 708 D C 0.270 176.522 176.300 -0.081 0.000 1.252 708 D CA 0.196 54.278 54.000 0.137 0.000 0.895 708 D CB 0.698 41.741 40.800 0.405 0.000 1.097 708 D HN 0.565 nan 8.370 nan 0.000 0.489 709 D N 2.445 122.857 120.400 0.020 0.000 2.348 709 D HA -0.128 5.146 4.640 1.057 0.000 0.211 709 D C 0.922 177.136 176.300 -0.143 0.000 0.998 709 D CA -0.062 53.890 54.000 -0.080 0.000 0.873 709 D CB 0.431 41.132 40.800 -0.166 0.000 0.925 709 D HN 0.223 nan 8.370 nan 0.000 0.524 710 N N 0.720 119.441 118.700 0.035 0.000 2.418 710 N HA -0.033 5.342 4.740 1.057 0.000 0.199 710 N C -0.060 175.377 175.510 -0.122 0.000 1.044 710 N CA 0.497 53.610 53.050 0.105 0.000 0.943 710 N CB 0.568 39.135 38.487 0.135 0.000 1.154 710 N HN -0.102 nan 8.380 nan 0.000 0.467 711 V N 4.108 123.960 119.914 -0.102 0.000 2.288 711 V HA 0.188 4.942 4.120 1.057 0.000 0.266 711 V C -0.691 175.449 176.094 0.076 0.000 1.048 711 V CA -0.686 61.603 62.300 -0.019 0.000 0.842 711 V CB -0.059 31.809 31.823 0.075 0.000 1.064 711 V HN 0.302 nan 8.190 nan 0.000 0.472 712 H N 3.558 122.581 119.070 -0.079 0.000 3.064 712 H HA -0.061 5.134 4.556 1.065 0.000 0.329 712 H C 0.946 176.083 175.328 -0.317 0.000 1.020 712 H CA 0.040 55.953 56.048 -0.224 0.000 1.402 712 H CB 0.418 29.983 29.762 -0.329 0.000 1.379 712 H HN 0.628 nan 8.280 nan 0.000 0.594 713 F N 2.428 122.136 119.950 -0.404 0.000 2.225 713 F HA -0.316 4.838 4.527 1.045 0.000 0.302 713 F C 2.532 178.042 175.800 -0.483 0.000 1.068 713 F CA 1.963 59.548 58.000 -0.692 0.000 1.327 713 F CB -0.100 38.688 39.000 -0.354 0.000 1.043 713 F HN 0.680 nan 8.300 nan 0.000 0.506 714 Q N 0.166 119.818 119.800 -0.247 0.000 2.118 714 Q HA -0.337 4.637 4.340 1.057 0.000 0.211 714 Q C 2.121 177.859 176.000 -0.437 0.000 0.998 714 Q CA 2.532 58.136 55.803 -0.332 0.000 0.872 714 Q CB -0.365 28.151 28.738 -0.370 0.000 0.925 714 Q HN 0.613 nan 8.270 nan 0.000 0.414 715 Q N -0.360 119.218 119.800 -0.370 0.000 2.061 715 Q HA -0.125 4.849 4.340 1.057 0.000 0.204 715 Q C 2.286 178.160 176.000 -0.209 0.000 0.984 715 Q CA 1.764 57.463 55.803 -0.173 0.000 0.846 715 Q CB -0.119 28.611 28.738 -0.013 0.000 0.902 715 Q HN 0.343 nan 8.270 nan 0.000 0.421 716 S N 0.815 116.292 115.700 -0.372 0.000 2.428 716 S HA -0.020 5.084 4.470 1.057 0.000 0.230 716 S C 2.036 176.367 174.600 -0.449 0.000 1.014 716 S CA 0.709 58.697 58.200 -0.354 0.000 0.957 716 S CB -0.102 62.881 63.200 -0.361 0.000 0.784 716 S HN 0.458 nan 8.310 nan 0.000 0.499 717 A N 1.398 123.856 122.820 -0.603 0.000 1.933 717 A HA -0.124 4.830 4.320 1.057 0.000 0.218 717 A C 2.127 179.591 177.584 -0.200 0.000 1.175 717 A CA 1.093 52.906 52.037 -0.373 0.000 0.628 717 A CB -0.365 18.481 19.000 -0.257 0.000 0.814 717 A HN 0.357 nan 8.150 nan 0.000 0.444 718 Q N -0.536 119.155 119.800 -0.181 0.000 2.245 718 Q HA 0.037 5.011 4.340 1.057 0.000 0.201 718 Q C 2.079 178.018 176.000 -0.101 0.000 0.955 718 Q CA 0.806 56.559 55.803 -0.084 0.000 0.870 718 Q CB -0.220 28.533 28.738 0.025 0.000 0.945 718 Q HN 0.781 nan 8.270 nan 0.000 0.461 719 I N 1.000 121.481 120.570 -0.149 0.000 2.163 719 I HA -0.256 4.548 4.170 1.057 0.000 0.240 719 I C 2.533 178.477 176.117 -0.288 0.000 1.081 719 I CA 1.412 62.581 61.300 -0.217 0.000 1.353 719 I CB -0.485 37.382 38.000 -0.221 0.000 1.054 719 I HN 0.176 nan 8.210 nan 0.000 0.407 720 S N 1.080 116.636 115.700 -0.240 0.000 2.370 720 S HA -0.287 4.817 4.470 1.057 0.000 0.226 720 S C 2.035 176.611 174.600 -0.040 0.000 1.033 720 S CA 1.560 59.668 58.200 -0.153 0.000 1.011 720 S CB -0.485 62.789 63.200 0.124 0.000 0.852 720 S HN 0.383 nan 8.310 nan 0.000 0.457 721 K N 1.615 121.987 120.400 -0.046 0.000 2.147 721 K HA 0.081 5.035 4.320 1.057 0.000 0.205 721 K C 2.180 178.761 176.600 -0.032 0.000 1.049 721 K CA 1.054 57.331 56.287 -0.016 0.000 0.936 721 K CB -0.584 31.903 32.500 -0.021 0.000 0.722 721 K HN 0.469 nan 8.250 nan 0.000 0.446 722 A N 0.767 123.538 122.820 -0.081 0.000 1.968 722 A HA -0.013 4.941 4.320 1.057 0.000 0.217 722 A C 1.997 179.521 177.584 -0.100 0.000 1.169 722 A CA 0.838 52.824 52.037 -0.085 0.000 0.638 722 A CB -0.367 18.567 19.000 -0.111 0.000 0.812 722 A HN 0.291 nan 8.150 nan 0.000 0.446 723 L N -0.667 120.451 121.223 -0.175 0.000 2.109 723 L HA -0.110 4.864 4.340 1.057 0.000 0.207 723 L C 2.471 179.367 176.870 0.042 0.000 1.086 723 L CA 0.769 55.514 54.840 -0.159 0.000 0.760 723 L CB -0.472 41.309 42.059 -0.464 0.000 0.910 723 L HN 0.225 nan 8.230 nan 0.000 0.437 724 V N -0.123 119.849 119.914 0.097 0.000 2.343 724 V HA -0.287 4.467 4.120 1.057 0.000 0.247 724 V C 1.998 178.133 176.094 0.068 0.000 1.051 724 V CA 1.839 64.215 62.300 0.127 0.000 1.036 724 V CB -0.515 31.378 31.823 0.118 0.000 0.654 724 V HN 0.433 nan 8.190 nan 0.000 0.451 725 D N 0.331 120.753 120.400 0.036 0.000 2.218 725 D HA -0.109 5.165 4.640 1.057 0.000 0.204 725 D C 1.761 178.077 176.300 0.027 0.000 0.976 725 D CA 1.688 55.703 54.000 0.025 0.000 0.853 725 D CB -0.076 40.730 40.800 0.010 0.000 0.939 725 D HN 0.573 nan 8.370 nan 0.000 0.481 726 V N -3.952 115.980 119.914 0.031 0.000 3.578 726 V HA 0.497 5.251 4.120 1.057 0.000 0.290 726 V C 1.186 177.313 176.094 0.055 0.000 1.376 726 V CA 0.210 62.533 62.300 0.037 0.000 1.083 726 V CB -0.058 31.786 31.823 0.035 0.000 0.911 726 V HN 0.120 nan 8.190 nan 0.000 0.433 727 G N 0.652 109.493 108.800 0.068 0.000 2.289 727 G HA2 -0.138 4.457 3.960 1.057 0.000 0.280 727 G HA3 -0.138 4.457 3.960 1.057 0.000 0.280 727 G C -0.141 174.825 174.900 0.110 0.000 1.089 727 G CA 0.438 45.587 45.100 0.082 0.000 0.939 727 G HN 1.645 nan 8.290 nan 0.000 0.499 728 V N -0.676 119.328 119.914 0.149 0.000 2.459 728 V HA 0.753 5.507 4.120 1.057 0.000 0.295 728 V C 0.068 176.342 176.094 0.301 0.000 1.029 728 V CA -0.598 61.819 62.300 0.196 0.000 0.874 728 V CB 1.892 33.831 31.823 0.194 0.000 0.985 728 V HN 0.370 nan 8.190 nan 0.000 0.438 729 D N 5.065 125.618 120.400 0.255 0.000 2.304 729 D HA 0.632 5.906 4.640 1.057 0.000 0.247 729 D C -0.563 175.971 176.300 0.389 0.000 1.089 729 D CA 0.232 54.370 54.000 0.231 0.000 0.910 729 D CB 1.043 41.913 40.800 0.116 0.000 1.199 729 D HN 0.636 nan 8.370 nan 0.000 0.426 730 F N -0.392 119.637 119.950 0.132 0.000 2.817 730 F HA 0.485 5.646 4.527 1.056 0.000 0.317 730 F C -1.525 174.333 175.800 0.096 0.000 1.168 730 F CA -1.122 56.978 58.000 0.166 0.000 0.911 730 F CB 0.683 39.816 39.000 0.222 0.000 1.337 730 F HN 0.091 nan 8.300 nan 0.000 0.464 731 Q N 1.219 121.078 119.800 0.098 0.000 2.257 731 Q HA 0.858 5.832 4.340 1.057 0.000 0.262 731 Q C -0.857 175.124 176.000 -0.032 0.000 0.997 731 Q CA -0.797 54.983 55.803 -0.038 0.000 0.873 731 Q CB 2.150 30.916 28.738 0.048 0.000 1.312 731 Q HN 1.093 nan 8.270 nan 0.000 0.450 732 A N 1.292 124.067 122.820 -0.075 0.000 2.594 732 A HA 0.858 5.812 4.320 1.057 0.000 0.291 732 A C -1.499 176.019 177.584 -0.111 0.000 1.105 732 A CA -0.548 51.472 52.037 -0.029 0.000 0.694 732 A CB 2.017 21.065 19.000 0.080 0.000 1.291 732 A HN 0.609 nan 8.150 nan 0.000 0.410 733 M N 0.924 120.444 119.600 -0.133 0.000 2.294 733 M HA 0.591 5.705 4.480 1.057 0.000 0.280 733 M C -2.084 174.076 176.300 -0.233 0.000 1.085 733 M CA -0.452 54.621 55.300 -0.378 0.000 0.969 733 M CB 1.152 33.413 32.600 -0.565 0.000 1.770 733 M HN 1.013 nan 8.290 nan 0.000 0.485 734 W N 4.063 125.168 121.300 -0.325 0.000 2.578 734 W HA 0.791 6.080 4.660 1.049 0.000 0.346 734 W C -2.038 174.162 176.519 -0.531 0.000 1.075 734 W CA -0.839 56.399 57.345 -0.179 0.000 1.233 734 W CB 0.461 29.879 29.460 -0.070 0.000 1.358 734 W HN 0.601 nan 8.180 nan 0.000 0.574 735 Y N 2.166 122.596 120.300 0.217 0.000 2.388 735 Y HA 0.311 5.496 4.550 1.059 0.000 0.328 735 Y C 0.463 176.471 175.900 0.181 0.000 0.963 735 Y CA -1.217 56.923 58.100 0.068 0.000 1.240 735 Y CB 1.370 39.846 38.460 0.027 0.000 1.118 735 Y HN 0.429 nan 8.280 nan 0.000 0.484 736 T N 4.604 119.320 114.554 0.271 0.000 2.871 736 T HA -0.016 4.969 4.350 1.057 0.000 0.296 736 T C 0.210 174.987 174.700 0.127 0.000 0.998 736 T CA 0.648 62.857 62.100 0.182 0.000 1.162 736 T CB -0.096 68.823 68.868 0.085 0.000 0.947 736 T HN 0.698 nan 8.240 nan 0.000 0.536 737 D N 0.771 121.227 120.400 0.095 0.000 3.059 737 D HA -0.127 5.147 4.640 1.057 0.000 0.213 737 D C 0.316 176.757 176.300 0.236 0.000 1.144 737 D CA 1.235 55.247 54.000 0.020 0.000 0.975 737 D CB -0.351 40.270 40.800 -0.298 0.000 1.125 737 D HN 0.561 nan 8.370 nan 0.000 0.412 738 E N 0.757 121.111 120.200 0.257 0.000 2.283 738 E HA 0.347 5.332 4.350 1.057 0.000 0.271 738 E C 0.753 177.545 176.600 0.319 0.000 1.031 738 E CA -0.304 56.264 56.400 0.281 0.000 0.868 738 E CB 1.237 31.090 29.700 0.256 0.000 1.094 738 E HN 0.332 nan 8.360 nan 0.000 0.401 739 D N -0.453 120.147 120.400 0.333 0.000 2.481 739 D HA -0.011 5.263 4.640 1.057 0.000 0.283 739 D C 1.087 177.630 176.300 0.405 0.000 1.192 739 D CA -0.122 54.098 54.000 0.367 0.000 1.100 739 D CB -0.270 40.772 40.800 0.402 0.000 1.166 739 D HN 0.405 nan 8.370 nan 0.000 0.584 740 H N -1.657 117.603 119.070 0.317 0.000 2.489 740 H HA 0.130 4.803 4.556 0.195 0.000 0.293 740 H C 1.808 177.398 175.328 0.436 0.000 1.066 740 H CA 1.912 58.166 56.048 0.344 0.000 1.305 740 H CB -0.316 29.635 29.762 0.315 0.000 1.386 740 H HN 0.475 nan 8.280 nan 0.000 0.551 741 G N -0.620 108.378 108.800 0.330 0.000 2.838 741 G HA2 0.055 4.649 3.960 1.057 0.000 0.210 741 G HA3 0.055 4.649 3.960 1.057 0.000 0.210 741 G C 0.585 175.692 174.900 0.345 0.000 1.153 741 G CA 0.184 45.409 45.100 0.208 0.000 0.778 741 G HN 0.469 nan 8.290 nan 0.000 0.539 742 I N 0.266 121.050 120.570 0.357 0.000 5.115 742 I HA -0.326 4.478 4.170 1.057 0.000 0.126 742 I C 1.513 177.767 176.117 0.229 0.000 1.316 742 I CA 0.181 61.632 61.300 0.252 0.000 2.641 742 I CB -0.948 37.172 38.000 0.200 0.000 2.272 742 I HN 0.259 nan 8.210 nan 0.000 0.321 743 A N 1.353 124.280 122.820 0.178 0.000 2.390 743 A HA 0.308 5.263 4.320 1.057 0.000 0.232 743 A C 1.139 178.773 177.584 0.083 0.000 1.233 743 A CA 0.520 52.624 52.037 0.112 0.000 0.907 743 A CB 0.151 19.187 19.000 0.060 0.000 0.967 743 A HN 0.625 nan 8.150 nan 0.000 0.512 744 S N -0.549 115.214 115.700 0.104 0.000 2.576 744 S HA 0.182 5.286 4.470 1.057 0.000 0.272 744 S C 1.255 175.905 174.600 0.083 0.000 1.352 744 S CA 0.354 58.607 58.200 0.088 0.000 1.021 744 S CB 1.085 64.344 63.200 0.097 0.000 0.887 744 S HN 0.455 nan 8.310 nan 0.000 0.542 745 S N 1.692 117.429 115.700 0.061 0.000 2.368 745 S HA -0.203 4.901 4.470 1.057 0.000 0.226 745 S C 2.101 176.755 174.600 0.091 0.000 1.044 745 S CA 2.425 60.663 58.200 0.063 0.000 1.062 745 S CB -1.612 61.609 63.200 0.035 0.000 0.931 745 S HN 1.048 nan 8.310 nan 0.000 0.440 746 T N -0.312 114.286 114.554 0.073 0.000 2.857 746 T HA 0.199 5.183 4.350 1.057 0.000 0.266 746 T C 1.961 176.709 174.700 0.080 0.000 1.048 746 T CA 1.267 63.412 62.100 0.075 0.000 1.139 746 T CB -0.844 68.061 68.868 0.062 0.000 0.874 746 T HN 0.462 nan 8.240 nan 0.000 0.455 747 A N 1.457 124.304 122.820 0.046 0.000 1.930 747 A HA -0.070 4.884 4.320 1.057 0.000 0.217 747 A C 2.198 179.720 177.584 -0.104 0.000 1.175 747 A CA 1.927 53.912 52.037 -0.087 0.000 0.627 747 A CB -1.208 17.721 19.000 -0.118 0.000 0.815 747 A HN 0.736 nan 8.150 nan 0.000 0.443 748 H N -0.158 118.890 119.070 -0.038 0.000 2.319 748 H HA -0.136 5.052 4.556 1.053 0.000 0.299 748 H C 2.093 177.487 175.328 0.109 0.000 1.092 748 H CA 2.353 58.441 56.048 0.067 0.000 1.302 748 H CB -0.210 29.596 29.762 0.074 0.000 1.373 748 H HN 0.568 nan 8.280 nan 0.000 0.497 749 Q N -1.110 118.699 119.800 0.016 0.000 2.119 749 Q HA -0.178 4.796 4.340 1.057 0.000 0.201 749 Q C 2.182 178.153 176.000 -0.049 0.000 0.972 749 Q CA 1.284 57.045 55.803 -0.070 0.000 0.847 749 Q CB -0.148 28.588 28.738 -0.003 0.000 0.903 749 Q HN 0.631 nan 8.270 nan 0.000 0.433 750 H N 0.665 119.690 119.070 -0.075 0.000 2.357 750 H HA -0.050 5.139 4.556 1.055 0.000 0.301 750 H C 1.973 177.271 175.328 -0.050 0.000 1.082 750 H CA 1.161 57.194 56.048 -0.025 0.000 1.342 750 H CB 0.006 29.799 29.762 0.052 0.000 1.389 750 H HN 0.275 nan 8.280 nan 0.000 0.511 751 I N 0.027 120.546 120.570 -0.085 0.000 2.315 751 I HA -0.304 4.500 4.170 1.057 0.000 0.248 751 I C 1.703 177.551 176.117 -0.447 0.000 1.117 751 I CA 1.113 62.270 61.300 -0.239 0.000 1.404 751 I CB -0.239 37.432 38.000 -0.548 0.000 1.071 751 I HN 0.110 nan 8.210 nan 0.000 0.419 752 Y N 0.942 121.023 120.300 -0.364 0.000 2.263 752 Y HA -0.181 4.998 4.550 1.048 0.000 0.292 752 Y C 2.719 178.389 175.900 -0.383 0.000 1.130 752 Y CA 1.808 59.577 58.100 -0.552 0.000 1.179 752 Y CB -0.848 37.291 38.460 -0.535 0.000 0.998 752 Y HN 0.133 nan 8.280 nan 0.000 0.532 753 T N -1.555 112.898 114.554 -0.168 0.000 2.708 753 T HA -0.241 4.744 4.350 1.057 0.000 0.266 753 T C 1.580 176.129 174.700 -0.251 0.000 1.037 753 T CA 1.929 63.891 62.100 -0.230 0.000 1.146 753 T CB -0.487 68.247 68.868 -0.223 0.000 0.865 753 T HN 0.400 nan 8.240 nan 0.000 0.435 754 H N 0.832 119.767 119.070 -0.225 0.000 2.353 754 H HA 0.084 5.274 4.556 1.056 0.000 0.300 754 H C 2.147 177.446 175.328 -0.048 0.000 1.090 754 H CA 1.612 57.611 56.048 -0.081 0.000 1.327 754 H CB -0.259 29.469 29.762 -0.057 0.000 1.383 754 H HN 0.271 nan 8.280 nan 0.000 0.508 755 M N -0.952 118.562 119.600 -0.144 0.000 2.229 755 M HA -0.133 4.981 4.480 1.057 0.000 0.264 755 M C 2.381 178.755 176.300 0.124 0.000 1.063 755 M CA 1.313 56.521 55.300 -0.153 0.000 1.114 755 M CB 0.136 32.400 32.600 -0.561 0.000 1.387 755 M HN 0.176 nan 8.290 nan 0.000 0.420 756 S N -0.648 115.134 115.700 0.136 0.000 2.368 756 S HA -0.140 4.964 4.470 1.057 0.000 0.225 756 S C 1.706 176.393 174.600 0.145 0.000 1.030 756 S CA 0.962 59.359 58.200 0.328 0.000 0.999 756 S CB -0.537 62.847 63.200 0.307 0.000 0.844 756 S HN 0.467 nan 8.310 nan 0.000 0.459 757 H N -0.099 119.026 119.070 0.092 0.000 2.387 757 H HA -0.048 5.143 4.556 1.058 0.000 0.299 757 H C 1.941 177.279 175.328 0.017 0.000 1.099 757 H CA 1.244 57.305 56.048 0.021 0.000 1.315 757 H CB -0.687 29.034 29.762 -0.070 0.000 1.380 757 H HN 0.444 nan 8.280 nan 0.000 0.513 758 F N 1.026 120.964 119.950 -0.020 0.000 2.146 758 F HA -0.167 4.997 4.527 1.062 0.000 0.298 758 F C 2.227 177.989 175.800 -0.064 0.000 1.096 758 F CA 0.767 58.729 58.000 -0.063 0.000 1.275 758 F CB -0.175 38.765 39.000 -0.100 0.000 1.008 758 F HN -0.042 nan 8.300 nan 0.000 0.480 759 I N 0.823 121.432 120.570 0.064 0.000 2.202 759 I HA -0.251 4.553 4.170 1.057 0.000 0.242 759 I C 2.208 178.163 176.117 -0.271 0.000 1.091 759 I CA 1.423 62.601 61.300 -0.204 0.000 1.368 759 I CB -1.338 36.618 38.000 -0.073 0.000 1.058 759 I HN 0.183 nan 8.210 nan 0.000 0.410 760 K N 0.310 120.687 120.400 -0.038 0.000 2.103 760 K HA -0.224 4.730 4.320 1.057 0.000 0.207 760 K C 2.011 178.616 176.600 0.009 0.000 1.048 760 K CA 1.045 57.356 56.287 0.041 0.000 0.930 760 K CB -0.243 32.322 32.500 0.107 0.000 0.716 760 K HN 0.395 nan 8.250 nan 0.000 0.444 761 Q N 1.458 121.217 119.800 -0.068 0.000 2.083 761 Q HA -0.162 4.812 4.340 1.057 0.000 0.198 761 Q C 2.270 178.187 176.000 -0.139 0.000 0.969 761 Q CA 1.637 57.384 55.803 -0.093 0.000 0.838 761 Q CB -0.561 28.106 28.738 -0.119 0.000 0.900 761 Q HN 0.394 nan 8.270 nan 0.000 0.436 762 c N 0.259 118.676 118.600 -0.305 0.000 2.422 762 c HA -0.058 5.146 4.570 1.057 0.000 0.279 762 c C 2.291 176.408 174.090 0.045 0.000 1.305 762 c CA 0.452 56.626 56.329 -0.259 0.000 1.757 762 c CB -1.304 40.897 42.510 -0.516 0.000 1.962 762 c HN 0.527 nan 8.230 nan 0.000 0.499 763 F N 1.089 121.005 119.950 -0.057 0.000 2.582 763 F HA 0.299 5.461 4.527 1.058 0.000 0.290 763 F C 1.839 177.630 175.800 -0.016 0.000 1.115 763 F CA 0.141 58.130 58.000 -0.019 0.000 1.445 763 F CB -1.009 37.990 39.000 -0.001 0.000 1.126 763 F HN 0.113 nan 8.300 nan 0.000 0.574 764 S N 0.000 115.802 115.700 0.170 0.000 2.498 764 S HA 0.000 5.104 4.470 1.057 0.000 0.327 764 S CA 0.000 58.255 58.200 0.092 0.000 1.107 764 S CB 0.000 63.244 63.200 0.073 0.000 0.593 764 S HN 0.000 nan 8.310 nan 0.000 0.517