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_B DATA FIRST_RESID 39 DATA SEQUENCE SRKTYTLTDY LKNTYRLKLY SLRWISDHEY LYKQENNILV FNAEYGNSSV DATA SEQUENCE FLENSTFDEF GHSINDYSIS PDGQFILLEY NYVKQWRHSY TASYDIYDLN DATA SEQUENCE KRQLITEERI PNNTQWVTWS PVGHKLAYVW NNDIYVKIEP NLPSYRITWT DATA SEQUENCE GKEDIIYNGI TDWVYEEEVF SAYSALWWSP NGTFLAYAQF NDTEVPLIEY DATA SEQUENCE SFYSDESLQY PKTVRVPYPK AGAVNPTVKF FVVNTDSLSS VTNATSIQIT DATA SEQUENCE APASMLIGDH YLCDVTWATQ ERISLQWLRR IQNYSVMDIc DYDESSGRWN DATA SEQUENCE cLVARQHIEM STTGWVGRFR PSEPHFTLDG NSFYKIISNE EGYRHIcYFQ DATA SEQUENCE IDKKDcTFIT KGTWEVIGIE ALTSDYLYYI SNEYKGMPGG RNLYKIQLSD DATA SEQUENCE YTKVTCLSCE LNPERcQYYS VSFSKEAKYY QLRcSGPGLP LYTLHSSVND DATA SEQUENCE KGLRVLEDNS ALDKMLQNVQ MPSKKLDFII LNETKFWYQM ILPPHFDKSK DATA SEQUENCE KYPLLLDVYA GPCSQKADTV FRLNWATYLA STENIIVASF DGRGSGYQGD DATA SEQUENCE KIMHAINRRL GTFEVEDQIE AARQFSKMGF VDNKRIAIWG WSYGGYVTSM DATA SEQUENCE VLGSGSGVFK cGIAVAPVSR WEYYDSVYTE RYMGLPTPED NLDHYRNSTV DATA SEQUENCE MSRAENFKQV EYLLIHGTAD DNVHFQQSAQ ISKALVDVGV DFQAMWYTDE DATA SEQUENCE DHGIASSTAH QHIYTHMSHF IKQcFSLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 39 S HA 0.000 nan 4.470 nan 0.000 0.327 39 S C 0.000 174.639 174.600 0.065 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 0.076 0.000 0.593 40 R N 1.511 122.048 120.500 0.062 0.000 3.115 40 R HA -0.141 4.189 4.340 -0.017 0.000 0.615 40 R C -0.067 176.271 176.300 0.064 0.000 0.927 40 R CA 1.168 57.308 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 0.752 nan 8.270 nan 0.000 0.604 41 K N 0.882 121.327 120.400 0.075 0.000 2.399 41 K HA 0.475 4.785 4.320 -0.017 0.000 0.247 41 K C 0.121 176.773 176.600 0.086 0.000 1.036 41 K CA -0.019 56.317 56.287 0.082 0.000 0.977 41 K CB 0.998 33.558 32.500 0.100 0.000 1.272 41 K HN 0.771 nan 8.250 nan 0.000 0.501 42 T N -3.264 111.353 114.554 0.105 0.000 2.910 42 T HA 0.300 4.640 4.350 -0.017 0.000 0.287 42 T C -0.830 173.992 174.700 0.203 0.000 1.050 42 T CA -0.761 61.414 62.100 0.124 0.000 1.011 42 T CB 0.562 69.490 68.868 0.100 0.000 1.195 42 T HN 0.468 nan 8.240 nan 0.000 0.540 43 Y N 2.671 123.035 120.300 0.108 0.000 2.504 43 Y HA 0.400 4.940 4.550 -0.017 0.000 0.351 43 Y C 0.915 176.967 175.900 0.254 0.000 0.988 43 Y CA -0.402 57.805 58.100 0.178 0.000 1.239 43 Y CB -0.197 38.325 38.460 0.104 0.000 1.128 43 Y HN 0.999 nan 8.280 nan 0.000 0.525 44 T N 2.370 116.932 114.554 0.014 0.000 2.824 44 T HA 0.102 4.442 4.350 -0.017 0.000 0.277 44 T C 1.023 175.622 174.700 -0.168 0.000 0.975 44 T CA -0.665 61.478 62.100 0.070 0.000 0.966 44 T CB 1.144 70.014 68.868 0.005 0.000 1.054 44 T HN 0.694 nan 8.240 nan 0.000 0.533 45 L N 0.952 121.868 121.223 -0.511 0.000 2.083 45 L HA 0.017 4.347 4.340 -0.017 0.000 0.209 45 L C 2.522 179.229 176.870 -0.272 0.000 1.083 45 L CA 2.094 56.483 54.840 -0.752 0.000 0.752 45 L CB -1.542 39.951 42.059 -0.944 0.000 0.899 45 L HN 0.941 nan 8.230 nan 0.000 0.433 46 T N -0.709 113.717 114.554 -0.214 0.000 2.867 46 T HA -0.122 4.218 4.350 -0.017 0.000 0.268 46 T C 1.443 176.045 174.700 -0.164 0.000 1.057 46 T CA 1.268 63.278 62.100 -0.151 0.000 1.136 46 T CB -0.337 68.466 68.868 -0.110 0.000 0.874 46 T HN 0.378 nan 8.240 nan 0.000 0.466 47 D N 0.163 120.427 120.400 -0.228 0.000 2.178 47 D HA -0.066 4.564 4.640 -0.017 0.000 0.201 47 D C 1.645 177.822 176.300 -0.204 0.000 0.980 47 D CA 0.856 54.682 54.000 -0.290 0.000 0.842 47 D CB -0.223 40.316 40.800 -0.435 0.000 0.948 47 D HN 0.422 nan 8.370 nan 0.000 0.472 48 Y N 1.342 121.451 120.300 -0.318 0.000 2.206 48 Y HA -0.025 4.515 4.550 -0.017 0.000 0.292 48 Y C 2.102 177.995 175.900 -0.013 0.000 1.123 48 Y CA 1.100 59.175 58.100 -0.043 0.000 1.142 48 Y CB -0.513 37.986 38.460 0.066 0.000 1.006 48 Y HN -0.130 nan 8.280 nan 0.000 0.518 49 L N -0.027 121.035 121.223 -0.269 0.000 2.141 49 L HA -0.138 4.192 4.340 -0.017 0.000 0.209 49 L C 1.872 178.629 176.870 -0.188 0.000 1.094 49 L CA 1.189 55.836 54.840 -0.322 0.000 0.763 49 L CB -0.439 41.502 42.059 -0.196 0.000 0.908 49 L HN 0.025 nan 8.230 nan 0.000 0.437 50 K N -0.004 120.311 120.400 -0.141 0.000 2.374 50 K HA 0.093 4.403 4.320 -0.017 0.000 0.196 50 K C 0.061 176.606 176.600 -0.093 0.000 1.023 50 K CA -0.057 56.167 56.287 -0.105 0.000 1.103 50 K CB -0.040 32.402 32.500 -0.097 0.000 0.848 50 K HN 0.154 nan 8.250 nan 0.000 0.528 51 N N 0.601 119.253 118.700 -0.079 0.000 2.754 51 N HA -0.172 4.558 4.740 -0.017 0.000 0.248 51 N C 0.558 176.040 175.510 -0.047 0.000 1.093 51 N CA 0.912 53.950 53.050 -0.021 0.000 0.699 51 N CB -1.155 37.319 38.487 -0.022 0.000 1.016 51 N HN 0.372 nan 8.380 nan 0.000 0.552 52 T N -4.176 110.292 114.554 -0.144 0.000 2.915 52 T HA -0.153 4.187 4.350 -0.017 0.000 0.269 52 T C 0.466 174.927 174.700 -0.398 0.000 1.071 52 T CA 1.187 63.093 62.100 -0.323 0.000 1.132 52 T CB -0.130 68.438 68.868 -0.499 0.000 0.878 52 T HN 0.325 nan 8.240 nan 0.000 0.479 53 Y N 1.574 121.961 120.300 0.146 0.000 2.478 53 Y HA 0.648 5.188 4.550 -0.017 0.000 0.329 53 Y C 0.340 176.351 175.900 0.185 0.000 0.967 53 Y CA -1.770 56.443 58.100 0.187 0.000 1.255 53 Y CB 0.823 39.456 38.460 0.287 0.000 1.103 53 Y HN 0.002 nan 8.280 nan 0.000 0.497 54 R N 2.682 123.326 120.500 0.240 0.000 2.474 54 R HA 0.639 4.969 4.340 -0.017 0.000 0.295 54 R C -1.264 175.147 176.300 0.185 0.000 0.980 54 R CA -0.532 55.678 56.100 0.183 0.000 0.934 54 R CB 0.782 31.147 30.300 0.109 0.000 1.101 54 R HN 0.701 nan 8.270 nan 0.000 0.469 55 L N 3.975 125.306 121.223 0.180 0.000 2.290 55 L HA 0.348 4.678 4.340 -0.017 0.000 0.284 55 L C 0.331 177.285 176.870 0.140 0.000 1.078 55 L CA -0.214 54.731 54.840 0.176 0.000 0.815 55 L CB 1.159 43.339 42.059 0.201 0.000 1.162 55 L HN 0.507 nan 8.230 nan 0.000 0.435 56 K N 3.055 123.534 120.400 0.131 0.000 2.185 56 K HA 0.616 4.926 4.320 -0.017 0.000 0.271 56 K C -0.624 176.032 176.600 0.094 0.000 1.013 56 K CA -0.352 55.992 56.287 0.095 0.000 0.943 56 K CB 1.024 33.577 32.500 0.089 0.000 0.998 56 K HN 0.413 nan 8.250 nan 0.000 0.468 57 L N 1.359 122.573 121.223 -0.015 0.000 2.211 57 L HA 0.493 4.823 4.340 -0.017 0.000 0.259 57 L C -1.034 175.604 176.870 -0.387 0.000 1.031 57 L CA -1.041 53.672 54.840 -0.212 0.000 0.877 57 L CB 0.901 42.922 42.059 -0.064 0.000 1.457 57 L HN 0.570 nan 8.230 nan 0.000 0.466 58 Y N 0.150 119.976 120.300 -0.790 0.000 2.583 58 Y HA 0.286 4.826 4.550 -0.017 0.000 0.303 58 Y C -0.807 174.919 175.900 -0.291 0.000 1.108 58 Y CA -0.566 57.243 58.100 -0.485 0.000 1.252 58 Y CB 1.030 39.044 38.460 -0.742 0.000 1.114 58 Y HN 0.364 nan 8.280 nan 0.000 0.594 59 S N 4.877 120.507 115.700 -0.117 0.000 2.422 59 S HA 0.535 4.995 4.470 -0.017 0.000 0.283 59 S C -0.466 174.101 174.600 -0.056 0.000 1.163 59 S CA -0.422 57.750 58.200 -0.046 0.000 1.054 59 S CB -0.183 62.994 63.200 -0.039 0.000 0.967 59 S HN 0.514 nan 8.310 nan 0.000 0.499 60 L N 1.433 122.600 121.223 -0.093 0.000 2.286 60 L HA 0.787 5.117 4.340 -0.017 0.000 0.265 60 L C -0.104 176.667 176.870 -0.165 0.000 1.012 60 L CA -0.893 53.840 54.840 -0.179 0.000 0.818 60 L CB 0.862 42.543 42.059 -0.631 0.000 1.337 60 L HN 0.354 nan 8.230 nan 0.000 0.438 61 R N 0.588 121.015 120.500 -0.122 0.000 2.500 61 R HA 0.313 4.643 4.340 -0.017 0.000 0.299 61 R C -1.909 174.402 176.300 0.019 0.000 1.038 61 R CA -0.441 55.639 56.100 -0.033 0.000 0.903 61 R CB 0.989 31.296 30.300 0.011 0.000 1.177 61 R HN 0.833 nan 8.270 nan 0.000 0.455 62 W N 5.506 126.888 121.300 0.137 0.000 2.251 62 W HA 0.124 4.774 4.660 -0.017 0.000 0.327 62 W C 1.703 178.289 176.519 0.111 0.000 1.361 62 W CA -0.341 57.100 57.345 0.159 0.000 1.234 62 W CB 0.505 30.053 29.460 0.148 0.000 1.212 62 W HN 0.576 nan 8.180 nan 0.000 0.557 63 I N 0.280 121.055 120.570 0.341 0.000 4.082 63 I HA 0.323 4.483 4.170 -0.017 0.000 0.337 63 I C 0.623 176.865 176.117 0.208 0.000 1.352 63 I CA -0.094 61.321 61.300 0.191 0.000 1.097 63 I CB -0.212 37.831 38.000 0.071 0.000 1.048 63 I HN 0.300 nan 8.210 nan 0.000 0.393 64 S N -0.452 115.424 115.700 0.293 0.000 2.930 64 S HA 0.267 4.727 4.470 -0.017 0.000 0.306 64 S C -0.287 174.434 174.600 0.202 0.000 1.238 64 S CA -0.179 58.172 58.200 0.251 0.000 1.000 64 S CB 1.399 64.786 63.200 0.312 0.000 1.342 64 S HN 0.054 nan 8.310 nan 0.000 0.575 65 D N -0.746 119.691 120.400 0.062 0.000 2.349 65 D HA 0.306 4.936 4.640 -0.017 0.000 0.214 65 D C 0.677 176.735 176.300 -0.404 0.000 1.063 65 D CA 0.628 54.456 54.000 -0.287 0.000 0.847 65 D CB 0.039 40.567 40.800 -0.453 0.000 0.933 65 D HN 0.603 nan 8.370 nan 0.000 0.513 66 H N -1.751 117.499 119.070 0.300 0.000 3.440 66 H HA 0.456 5.002 4.556 -0.017 0.000 0.259 66 H C -0.197 175.262 175.328 0.218 0.000 1.120 66 H CA -0.245 55.962 56.048 0.265 0.000 1.191 66 H CB 0.655 30.533 29.762 0.192 0.000 1.537 66 H HN -0.026 nan 8.280 nan 0.000 0.547 67 E N 0.419 120.866 120.200 0.412 0.000 2.393 67 E HA 0.462 4.802 4.350 -0.017 0.000 0.273 67 E C -1.496 175.287 176.600 0.306 0.000 0.918 67 E CA -1.348 55.196 56.400 0.239 0.000 0.773 67 E CB 2.838 32.619 29.700 0.134 0.000 1.275 67 E HN 0.205 nan 8.360 nan 0.000 0.451 68 Y N -1.170 119.139 120.300 0.016 0.000 2.597 68 Y HA 0.634 5.174 4.550 -0.017 0.000 0.340 68 Y C -1.724 174.153 175.900 -0.039 0.000 1.097 68 Y CA -1.372 56.632 58.100 -0.160 0.000 1.037 68 Y CB 0.758 38.787 38.460 -0.719 0.000 1.305 68 Y HN 0.356 nan 8.280 nan 0.000 0.463 69 L N 2.782 124.101 121.223 0.161 0.000 2.343 69 L HA 0.455 4.785 4.340 -0.017 0.000 0.275 69 L C -1.310 175.731 176.870 0.284 0.000 1.056 69 L CA -1.035 53.870 54.840 0.108 0.000 0.804 69 L CB 1.387 43.376 42.059 -0.116 0.000 1.203 69 L HN 0.764 nan 8.230 nan 0.000 0.440 70 Y N 2.345 122.720 120.300 0.126 0.000 2.373 70 Y HA 0.304 4.844 4.550 -0.017 0.000 0.327 70 Y C -0.503 175.408 175.900 0.019 0.000 1.036 70 Y CA -1.257 56.865 58.100 0.037 0.000 1.265 70 Y CB 0.876 39.396 38.460 0.100 0.000 1.108 70 Y HN 0.422 nan 8.280 nan 0.000 0.471 71 K N 4.342 124.512 120.400 -0.382 0.000 2.436 71 K HA 0.046 4.356 4.320 -0.017 0.000 0.282 71 K C -0.062 176.222 176.600 -0.527 0.000 1.044 71 K CA 0.450 56.564 56.287 -0.288 0.000 1.028 71 K CB 0.499 32.908 32.500 -0.152 0.000 0.919 71 K HN 0.690 nan 8.250 nan 0.000 0.474 72 Q N 3.127 122.769 119.800 -0.264 0.000 2.628 72 Q HA 0.010 4.340 4.340 -0.017 0.000 0.397 72 Q C -0.336 175.600 176.000 -0.105 0.000 0.916 72 Q CA 0.031 55.699 55.803 -0.226 0.000 1.071 72 Q CB 0.238 28.927 28.738 -0.082 0.000 1.367 72 Q HN 0.745 nan 8.270 nan 0.000 0.404 73 E N -0.634 119.499 120.200 -0.112 0.000 4.510 73 E HA -0.447 3.893 4.350 -0.017 0.000 0.189 73 E C 0.645 177.215 176.600 -0.051 0.000 1.322 73 E CA 2.341 58.697 56.400 -0.073 0.000 2.269 73 E CB -0.610 29.053 29.700 -0.061 0.000 1.885 73 E HN 0.487 nan 8.360 nan 0.000 0.337 74 N N 0.866 119.545 118.700 -0.036 0.000 2.131 74 N HA -0.011 4.719 4.740 -0.017 0.000 0.190 74 N C 0.237 175.743 175.510 -0.006 0.000 1.055 74 N CA 1.647 54.682 53.050 -0.025 0.000 0.853 74 N CB -0.017 38.459 38.487 -0.017 0.000 1.035 74 N HN 0.335 nan 8.380 nan 0.000 0.440 75 N N -0.127 118.582 118.700 0.014 0.000 2.443 75 N HA 0.329 5.059 4.740 -0.017 0.000 0.293 75 N C -1.089 174.475 175.510 0.091 0.000 1.159 75 N CA -0.511 52.572 53.050 0.057 0.000 0.904 75 N CB 1.621 40.134 38.487 0.043 0.000 1.214 75 N HN 0.113 nan 8.380 nan 0.000 0.513 76 I N 1.077 121.749 120.570 0.171 0.000 2.321 76 I HA 0.306 4.466 4.170 -0.017 0.000 0.291 76 I C -1.007 175.215 176.117 0.175 0.000 0.998 76 I CA -0.764 60.643 61.300 0.178 0.000 1.227 76 I CB 0.352 38.514 38.000 0.271 0.000 1.368 76 I HN 0.333 nan 8.210 nan 0.000 0.466 77 L N 7.346 128.659 121.223 0.151 0.000 2.352 77 L HA 0.599 4.929 4.340 -0.017 0.000 0.269 77 L C -0.470 176.458 176.870 0.095 0.000 1.034 77 L CA -0.983 53.926 54.840 0.115 0.000 0.806 77 L CB 1.819 43.920 42.059 0.070 0.000 1.244 77 L HN 0.302 nan 8.230 nan 0.000 0.447 78 V N 1.367 121.267 119.914 -0.023 0.000 2.495 78 V HA 0.533 4.643 4.120 -0.017 0.000 0.298 78 V C -1.104 174.832 176.094 -0.263 0.000 1.031 78 V CA -0.231 62.036 62.300 -0.054 0.000 0.871 78 V CB 1.576 33.415 31.823 0.027 0.000 0.988 78 V HN 0.457 nan 8.190 nan 0.000 0.432 79 F N 4.888 124.589 119.950 -0.416 0.000 2.492 79 F HA 0.509 5.026 4.527 -0.017 0.000 0.327 79 F C 0.459 175.974 175.800 -0.475 0.000 1.079 79 F CA -0.574 57.086 58.000 -0.566 0.000 0.967 79 F CB 1.742 40.030 39.000 -1.186 0.000 1.169 79 F HN 0.520 nan 8.300 nan 0.000 0.472 80 N N 2.020 120.653 118.700 -0.111 0.000 2.420 80 N HA 0.238 4.968 4.740 -0.017 0.000 0.249 80 N C 0.549 176.003 175.510 -0.095 0.000 1.033 80 N CA 0.144 53.165 53.050 -0.049 0.000 0.944 80 N CB 1.684 40.197 38.487 0.043 0.000 1.113 80 N HN 0.810 nan 8.380 nan 0.000 0.502 81 A N 3.875 126.596 122.820 -0.165 0.000 1.908 81 A HA -0.226 4.085 4.320 -0.017 0.000 0.218 81 A C 1.922 179.274 177.584 -0.386 0.000 1.181 81 A CA 1.866 53.723 52.037 -0.300 0.000 0.627 81 A CB -0.502 18.121 19.000 -0.629 0.000 0.818 81 A HN 0.824 nan 8.150 nan 0.000 0.445 82 E N -1.076 118.880 120.200 -0.407 0.000 2.038 82 E HA -0.205 4.135 4.350 -0.017 0.000 0.195 82 E C 1.477 177.788 176.600 -0.480 0.000 1.000 82 E CA 2.080 58.230 56.400 -0.418 0.000 0.803 82 E CB -0.372 28.968 29.700 -0.600 0.000 0.750 82 E HN 0.771 nan 8.360 nan 0.000 0.448 83 Y N -2.370 117.939 120.300 0.015 0.000 2.498 83 Y HA 0.365 4.905 4.550 -0.017 0.000 0.259 83 Y C 1.603 177.513 175.900 0.016 0.000 1.086 83 Y CA -0.004 58.106 58.100 0.015 0.000 1.287 83 Y CB 1.202 39.669 38.460 0.013 0.000 1.146 83 Y HN 0.230 nan 8.280 nan 0.000 0.523 84 G N 1.009 109.886 108.800 0.128 0.000 2.175 84 G HA2 -0.301 3.649 3.960 -0.017 0.000 0.244 84 G HA3 -0.301 3.649 3.960 -0.017 0.000 0.244 84 G C -0.182 174.825 174.900 0.178 0.000 0.982 84 G CA 0.064 45.261 45.100 0.162 0.000 0.641 84 G HN 0.422 nan 8.290 nan 0.000 0.527 85 N N 0.906 119.664 118.700 0.097 0.000 2.518 85 N HA 0.497 5.227 4.740 -0.017 0.000 0.266 85 N C 0.263 175.649 175.510 -0.206 0.000 1.196 85 N CA 0.700 53.738 53.050 -0.020 0.000 0.947 85 N CB 1.492 39.978 38.487 -0.001 0.000 1.098 85 N HN 0.878 nan 8.380 nan 0.000 0.450 86 S N 0.509 115.984 115.700 -0.375 0.000 2.751 86 S HA 0.808 5.268 4.470 -0.017 0.000 0.310 86 S C -0.637 173.758 174.600 -0.341 0.000 1.128 86 S CA -0.773 57.038 58.200 -0.649 0.000 0.931 86 S CB 1.442 63.867 63.200 -1.292 0.000 1.177 86 S HN 0.627 nan 8.310 nan 0.000 0.530 87 S N -0.276 115.246 115.700 -0.296 0.000 2.537 87 S HA 0.458 4.918 4.470 -0.017 0.000 0.270 87 S C -1.244 173.305 174.600 -0.085 0.000 1.142 87 S CA -0.684 57.431 58.200 -0.142 0.000 0.870 87 S CB 1.651 64.801 63.200 -0.084 0.000 1.112 87 S HN 0.729 nan 8.310 nan 0.000 0.466 88 V N 3.516 123.400 119.914 -0.050 0.000 2.479 88 V HA 0.157 4.267 4.120 -0.017 0.000 0.281 88 V C 0.453 176.569 176.094 0.037 0.000 1.031 88 V CA 0.456 62.756 62.300 -0.000 0.000 1.038 88 V CB 0.313 32.123 31.823 -0.021 0.000 0.981 88 V HN 0.933 nan 8.190 nan 0.000 0.478 89 F N 6.339 126.270 119.950 -0.031 0.000 2.262 89 F HA 0.348 4.865 4.527 -0.017 0.000 0.292 89 F C 0.430 176.238 175.800 0.013 0.000 1.081 89 F CA 0.603 58.596 58.000 -0.012 0.000 1.355 89 F CB 0.564 39.564 39.000 -0.000 0.000 1.069 89 F HN 0.363 nan 8.300 nan 0.000 0.506 90 L N 0.838 122.183 121.223 0.203 0.000 2.470 90 L HA 0.370 4.700 4.340 -0.017 0.000 0.268 90 L C -0.925 175.986 176.870 0.068 0.000 0.964 90 L CA -0.570 54.342 54.840 0.120 0.000 0.839 90 L CB 1.456 43.727 42.059 0.354 0.000 1.276 90 L HN -0.169 nan 8.230 nan 0.000 0.403 91 E N 1.933 122.110 120.200 -0.038 0.000 2.383 91 E HA 0.140 4.480 4.350 -0.017 0.000 0.264 91 E C 0.911 177.479 176.600 -0.052 0.000 1.050 91 E CA 0.670 57.039 56.400 -0.053 0.000 0.896 91 E CB 0.815 30.458 29.700 -0.096 0.000 0.982 91 E HN 0.693 nan 8.360 nan 0.000 0.424 92 N N 1.053 119.733 118.700 -0.034 0.000 2.069 92 N HA -0.233 4.497 4.740 -0.017 0.000 0.191 92 N C 1.278 176.754 175.510 -0.056 0.000 1.031 92 N CA 1.282 54.313 53.050 -0.031 0.000 0.852 92 N CB -0.260 38.211 38.487 -0.025 0.000 1.018 92 N HN 0.397 nan 8.380 nan 0.000 0.423 93 S N 0.249 115.903 115.700 -0.077 0.000 2.507 93 S HA -0.058 4.402 4.470 -0.017 0.000 0.235 93 S C 1.756 176.252 174.600 -0.174 0.000 0.988 93 S CA 1.067 59.211 58.200 -0.094 0.000 0.944 93 S CB -0.690 62.462 63.200 -0.080 0.000 0.762 93 S HN 0.289 nan 8.310 nan 0.000 0.526 94 T N 1.504 115.886 114.554 -0.287 0.000 2.778 94 T HA -0.052 4.288 4.350 -0.017 0.000 0.269 94 T C 0.332 174.539 174.700 -0.822 0.000 1.050 94 T CA 1.267 63.003 62.100 -0.608 0.000 1.137 94 T CB -0.447 67.884 68.868 -0.894 0.000 0.860 94 T HN 0.585 nan 8.240 nan 0.000 0.468 95 F N 0.785 120.610 119.950 -0.208 0.000 2.855 95 F HA 0.339 4.857 4.527 -0.016 0.000 0.317 95 F C 1.174 176.936 175.800 -0.064 0.000 1.169 95 F CA -1.232 56.650 58.000 -0.196 0.000 1.299 95 F CB 0.114 38.913 39.000 -0.335 0.000 0.962 95 F HN -0.043 nan 8.300 nan 0.000 0.506 96 D N 0.897 121.325 120.400 0.046 0.000 2.087 96 D HA -0.173 4.457 4.640 -0.017 0.000 0.192 96 D C 0.947 177.287 176.300 0.067 0.000 0.993 96 D CA 1.466 55.492 54.000 0.043 0.000 0.828 96 D CB -0.049 40.749 40.800 -0.004 0.000 0.968 96 D HN 0.417 nan 8.370 nan 0.000 0.448 97 E N -0.159 120.078 120.200 0.062 0.000 2.330 97 E HA -0.012 4.328 4.350 -0.017 0.000 0.210 97 E C 0.577 177.252 176.600 0.126 0.000 1.256 97 E CA -0.375 56.058 56.400 0.054 0.000 1.346 97 E CB -0.181 29.537 29.700 0.030 0.000 1.308 97 E HN 0.160 nan 8.360 nan 0.000 0.441 98 F N 0.308 120.240 119.950 -0.029 0.000 2.473 98 F HA 0.182 4.699 4.527 -0.017 0.000 0.294 98 F C 1.819 177.507 175.800 -0.187 0.000 1.103 98 F CA 1.127 59.100 58.000 -0.044 0.000 1.442 98 F CB 0.227 39.219 39.000 -0.013 0.000 1.097 98 F HN 0.224 nan 8.300 nan 0.000 0.547 99 G N -0.482 108.161 108.800 -0.263 0.000 2.234 99 G HA2 -0.254 3.696 3.960 -0.017 0.000 0.260 99 G HA3 -0.254 3.696 3.960 -0.017 0.000 0.260 99 G C 0.265 174.737 174.900 -0.712 0.000 0.987 99 G CA 0.478 45.274 45.100 -0.507 0.000 0.625 99 G HN 0.527 nan 8.290 nan 0.000 0.532 100 H N -0.007 118.799 119.070 -0.439 0.000 2.622 100 H HA 0.649 5.195 4.556 -0.017 0.000 0.363 100 H C -0.290 174.976 175.328 -0.103 0.000 1.151 100 H CA 0.025 55.860 56.048 -0.355 0.000 1.184 100 H CB 1.741 31.023 29.762 -0.800 0.000 1.643 100 H HN 0.179 nan 8.280 nan 0.000 0.531 101 S N 2.316 118.072 115.700 0.094 0.000 2.523 101 S HA 0.316 4.776 4.470 -0.017 0.000 0.275 101 S C 0.187 174.842 174.600 0.092 0.000 1.281 101 S CA -0.700 57.540 58.200 0.066 0.000 1.050 101 S CB -0.310 62.913 63.200 0.039 0.000 0.937 101 S HN 0.389 nan 8.310 nan 0.000 0.492 102 I N 5.490 126.077 120.570 0.029 0.000 2.365 102 I HA 0.264 4.424 4.170 -0.017 0.000 0.291 102 I C 1.311 177.390 176.117 -0.065 0.000 1.004 102 I CA -0.522 60.767 61.300 -0.018 0.000 1.311 102 I CB 1.132 39.016 38.000 -0.193 0.000 1.401 102 I HN 0.785 nan 8.210 nan 0.000 0.491 103 N N 3.561 122.230 118.700 -0.051 0.000 2.250 103 N HA 0.078 4.808 4.740 -0.017 0.000 0.190 103 N C -0.178 175.283 175.510 -0.081 0.000 1.116 103 N CA 0.138 53.125 53.050 -0.105 0.000 0.881 103 N CB 0.919 39.296 38.487 -0.183 0.000 1.006 103 N HN 0.597 nan 8.380 nan 0.000 0.491 104 D N -0.703 119.689 120.400 -0.013 0.000 2.694 104 D HA 0.263 4.893 4.640 -0.017 0.000 0.260 104 D C -1.798 174.670 176.300 0.278 0.000 1.250 104 D CA -0.326 53.756 54.000 0.135 0.000 0.763 104 D CB 1.469 42.339 40.800 0.116 0.000 1.311 104 D HN 0.050 nan 8.370 nan 0.000 0.420 105 Y N -1.237 119.088 120.300 0.042 0.000 2.552 105 Y HA 0.684 5.224 4.550 -0.017 0.000 0.337 105 Y C -1.399 174.582 175.900 0.135 0.000 1.094 105 Y CA -1.485 56.662 58.100 0.078 0.000 1.028 105 Y CB 1.045 39.519 38.460 0.022 0.000 1.321 105 Y HN 0.108 nan 8.280 nan 0.000 0.456 106 S N 3.337 119.195 115.700 0.264 0.000 2.596 106 S HA 0.701 5.161 4.470 -0.017 0.000 0.318 106 S C -1.024 173.786 174.600 0.350 0.000 1.097 106 S CA -0.568 57.785 58.200 0.255 0.000 1.080 106 S CB 0.011 63.415 63.200 0.340 0.000 0.991 106 S HN 0.621 nan 8.310 nan 0.000 0.471 107 I N 4.716 125.336 120.570 0.082 0.000 2.371 107 I HA 0.210 4.370 4.170 -0.017 0.000 0.290 107 I C 0.952 176.892 176.117 -0.294 0.000 1.028 107 I CA -0.418 60.868 61.300 -0.024 0.000 1.345 107 I CB 1.446 39.351 38.000 -0.158 0.000 1.407 107 I HN 0.738 nan 8.210 nan 0.000 0.501 108 S N 6.408 121.665 115.700 -0.739 0.000 2.563 108 S HA 0.081 4.541 4.470 -0.017 0.000 0.284 108 S C -1.732 172.545 174.600 -0.538 0.000 1.331 108 S CA -0.872 56.498 58.200 -1.382 0.000 1.047 108 S CB 0.518 62.794 63.200 -1.540 0.000 0.859 108 S HN 0.432 nan 8.310 nan 0.000 0.514 109 P HA -0.135 nan 4.420 nan 0.000 0.217 109 P C 0.912 178.154 177.300 -0.097 0.000 1.148 109 P CA 1.352 64.364 63.100 -0.147 0.000 0.834 109 P CB -0.023 31.618 31.700 -0.099 0.000 0.783 110 D N -1.626 118.709 120.400 -0.109 0.000 2.123 110 D HA -0.111 4.519 4.640 -0.017 0.000 0.196 110 D C 1.861 178.164 176.300 0.006 0.000 0.992 110 D CA 2.079 56.070 54.000 -0.015 0.000 0.833 110 D CB -0.701 40.146 40.800 0.079 0.000 0.954 110 D HN 0.219 nan 8.370 nan 0.000 0.455 111 G N -0.165 108.629 108.800 -0.010 0.000 2.195 111 G HA2 -0.339 3.611 3.960 -0.017 0.000 0.246 111 G HA3 -0.339 3.611 3.960 -0.017 0.000 0.246 111 G C 1.034 175.961 174.900 0.045 0.000 0.984 111 G CA 0.564 45.730 45.100 0.109 0.000 0.633 111 G HN 0.407 nan 8.290 nan 0.000 0.525 112 Q N -1.118 118.639 119.800 -0.071 0.000 2.245 112 Q HA 0.337 4.667 4.340 -0.017 0.000 0.201 112 Q C 0.417 175.994 176.000 -0.705 0.000 0.955 112 Q CA 0.774 56.366 55.803 -0.352 0.000 0.870 112 Q CB 0.298 28.841 28.738 -0.325 0.000 0.945 112 Q HN 0.576 nan 8.270 nan 0.000 0.461 113 F N -0.741 119.148 119.950 -0.100 0.000 2.629 113 F HA 0.548 5.065 4.527 -0.017 0.000 0.316 113 F C -0.602 175.263 175.800 0.108 0.000 1.081 113 F CA -1.132 56.874 58.000 0.010 0.000 0.954 113 F CB 1.759 40.774 39.000 0.026 0.000 1.337 113 F HN -0.218 nan 8.300 nan 0.000 0.474 114 I N 2.099 122.987 120.570 0.531 0.000 2.533 114 I HA 0.432 4.592 4.170 -0.017 0.000 0.290 114 I C -1.764 174.691 176.117 0.564 0.000 1.056 114 I CA -1.005 60.599 61.300 0.506 0.000 1.057 114 I CB 1.797 40.096 38.000 0.498 0.000 1.240 114 I HN 0.443 nan 8.210 nan 0.000 0.423 115 L N 8.014 129.581 121.223 0.572 0.000 2.275 115 L HA 0.523 4.853 4.340 -0.017 0.000 0.288 115 L C -1.216 175.836 176.870 0.303 0.000 1.046 115 L CA -0.059 55.027 54.840 0.410 0.000 0.805 115 L CB 1.088 43.335 42.059 0.313 0.000 1.193 115 L HN 0.419 nan 8.230 nan 0.000 0.426 116 L N 4.844 126.189 121.223 0.203 0.000 2.287 116 L HA 0.506 4.836 4.340 -0.017 0.000 0.287 116 L C -0.176 176.771 176.870 0.128 0.000 1.022 116 L CA -0.474 54.401 54.840 0.059 0.000 0.814 116 L CB 1.600 43.505 42.059 -0.256 0.000 1.217 116 L HN 0.608 nan 8.230 nan 0.000 0.420 117 E N 3.669 123.902 120.200 0.056 0.000 2.156 117 E HA 0.469 4.809 4.350 -0.017 0.000 0.279 117 E C -1.647 174.953 176.600 0.000 0.000 0.965 117 E CA -0.506 55.788 56.400 -0.175 0.000 0.789 117 E CB 1.178 30.860 29.700 -0.031 0.000 1.098 117 E HN 0.437 nan 8.360 nan 0.000 0.397 118 Y N 1.629 121.762 120.300 -0.278 0.000 2.670 118 Y HA 0.429 4.969 4.550 -0.017 0.000 0.334 118 Y C -0.296 175.505 175.900 -0.165 0.000 1.185 118 Y CA -1.594 56.415 58.100 -0.151 0.000 1.053 118 Y CB 0.634 39.039 38.460 -0.091 0.000 1.298 118 Y HN 0.507 nan 8.280 nan 0.000 0.459 119 N N -0.206 118.456 118.700 -0.063 0.000 2.754 119 N HA -0.290 4.440 4.740 -0.017 0.000 0.248 119 N C -1.040 174.424 175.510 -0.076 0.000 1.093 119 N CA 0.984 53.961 53.050 -0.122 0.000 0.699 119 N CB -1.589 36.702 38.487 -0.326 0.000 1.016 119 N HN 0.882 nan 8.380 nan 0.000 0.552 120 Y N 0.407 120.630 120.300 -0.129 0.000 2.650 120 Y HA 0.268 4.808 4.550 -0.017 0.000 0.331 120 Y C -0.003 175.858 175.900 -0.066 0.000 1.165 120 Y CA 0.081 58.110 58.100 -0.118 0.000 1.473 120 Y CB 0.616 38.956 38.460 -0.199 0.000 1.224 120 Y HN -0.010 nan 8.280 nan 0.000 0.533 121 V N 8.324 127.951 119.914 -0.480 0.000 2.380 121 V HA 0.182 4.292 4.120 -0.017 0.000 0.286 121 V C -0.202 175.553 176.094 -0.566 0.000 1.015 121 V CA -1.395 60.672 62.300 -0.388 0.000 0.834 121 V CB 1.235 32.947 31.823 -0.186 0.000 1.009 121 V HN 0.742 nan 8.190 nan 0.000 0.428 122 K N 3.844 123.894 120.400 -0.583 0.000 2.485 122 K HA 0.132 4.442 4.320 -0.017 0.000 0.277 122 K C 0.435 176.881 176.600 -0.257 0.000 0.990 122 K CA 0.420 56.489 56.287 -0.364 0.000 0.994 122 K CB 1.032 33.503 32.500 -0.048 0.000 0.906 122 K HN 0.818 nan 8.250 nan 0.000 0.488 123 Q N 2.895 122.536 119.800 -0.265 0.000 2.362 123 Q HA 0.173 4.503 4.340 -0.017 0.000 0.190 123 Q C -0.032 175.772 176.000 -0.326 0.000 0.763 123 Q CA -0.396 55.073 55.803 -0.555 0.000 0.681 123 Q CB 0.143 28.379 28.738 -0.837 0.000 2.020 123 Q HN 0.744 nan 8.270 nan 0.000 0.483 124 W N 0.163 121.462 121.300 -0.001 0.000 1.941 124 W HA 0.397 5.046 4.660 -0.018 0.000 0.629 124 W C 1.749 178.255 176.519 -0.021 0.000 1.517 124 W CA -0.717 56.655 57.345 0.044 0.000 1.502 124 W CB -0.161 29.297 29.460 -0.004 0.000 3.266 124 W HN 0.238 nan 8.180 nan 0.000 0.765 125 R N -0.486 120.101 120.500 0.145 0.000 2.115 125 R HA -0.127 4.203 4.340 -0.017 0.000 0.230 125 R C 1.282 177.396 176.300 -0.310 0.000 1.111 125 R CA 2.018 58.025 56.100 -0.155 0.000 0.976 125 R CB -0.312 29.756 30.300 -0.386 0.000 0.870 125 R HN 0.590 nan 8.270 nan 0.000 0.445 126 H N -1.651 117.503 119.070 0.139 0.000 3.091 126 H HA 0.180 4.726 4.556 -0.016 0.000 0.249 126 H C 0.436 175.864 175.328 0.166 0.000 0.985 126 H CA 0.184 56.334 56.048 0.170 0.000 1.177 126 H CB 0.577 30.413 29.762 0.123 0.000 1.456 126 H HN 0.117 nan 8.280 nan 0.000 0.467 127 S N 0.977 116.683 115.700 0.010 0.000 2.585 127 S HA 0.362 4.822 4.470 -0.017 0.000 0.273 127 S C -0.465 174.005 174.600 -0.217 0.000 1.339 127 S CA -0.434 57.479 58.200 -0.478 0.000 1.028 127 S CB 0.654 63.040 63.200 -1.357 0.000 0.906 127 S HN 0.465 nan 8.310 nan 0.000 0.528 128 Y N -2.456 117.681 120.300 -0.271 0.000 2.774 128 Y HA 0.630 5.170 4.550 -0.017 0.000 0.346 128 Y C -0.887 174.986 175.900 -0.045 0.000 1.222 128 Y CA -0.882 57.065 58.100 -0.255 0.000 1.088 128 Y CB 0.442 38.678 38.460 -0.374 0.000 1.354 128 Y HN 0.900 nan 8.280 nan 0.000 0.455 129 T N -0.089 114.533 114.554 0.115 0.000 2.908 129 T HA 1.018 5.358 4.350 -0.017 0.000 0.290 129 T C -0.510 174.307 174.700 0.194 0.000 1.034 129 T CA -0.108 62.079 62.100 0.144 0.000 1.010 129 T CB 1.819 70.721 68.868 0.056 0.000 1.068 129 T HN 1.836 nan 8.240 nan 0.000 0.481 130 A N 1.037 123.961 122.820 0.174 0.000 2.557 130 A HA 0.828 5.138 4.320 -0.017 0.000 0.292 130 A C -0.576 176.861 177.584 -0.246 0.000 1.139 130 A CA -0.966 51.035 52.037 -0.061 0.000 0.665 130 A CB 1.181 20.137 19.000 -0.073 0.000 1.285 130 A HN 0.843 nan 8.150 nan 0.000 0.433 131 S N -0.827 114.463 115.700 -0.683 0.000 2.593 131 S HA 0.805 5.265 4.470 -0.017 0.000 0.297 131 S C -1.617 172.380 174.600 -1.005 0.000 1.112 131 S CA -0.060 57.648 58.200 -0.819 0.000 1.043 131 S CB 0.708 63.062 63.200 -1.409 0.000 1.054 131 S HN 0.439 nan 8.310 nan 0.000 0.516 132 Y N 0.231 120.348 120.300 -0.304 0.000 2.504 132 Y HA 0.467 5.007 4.550 -0.017 0.000 0.344 132 Y C -0.434 175.527 175.900 0.101 0.000 1.023 132 Y CA -0.910 57.154 58.100 -0.059 0.000 1.020 132 Y CB 1.780 40.140 38.460 -0.167 0.000 1.282 132 Y HN 0.486 nan 8.280 nan 0.000 0.454 133 D N 2.791 123.398 120.400 0.346 0.000 2.780 133 D HA 0.531 5.161 4.640 -0.017 0.000 0.242 133 D C -0.909 175.517 176.300 0.210 0.000 1.135 133 D CA -0.312 53.858 54.000 0.283 0.000 0.859 133 D CB 2.550 43.590 40.800 0.400 0.000 1.530 133 D HN 0.417 nan 8.370 nan 0.000 0.493 134 I N 2.014 122.705 120.570 0.202 0.000 2.377 134 I HA 0.261 4.421 4.170 -0.017 0.000 0.293 134 I C -0.766 175.569 176.117 0.362 0.000 0.987 134 I CA -0.971 60.494 61.300 0.275 0.000 1.185 134 I CB 1.353 39.482 38.000 0.215 0.000 1.341 134 I HN 0.239 nan 8.210 nan 0.000 0.455 135 Y N 5.314 125.787 120.300 0.288 0.000 2.335 135 Y HA 0.299 4.839 4.550 -0.017 0.000 0.338 135 Y C -0.289 175.782 175.900 0.285 0.000 0.977 135 Y CA -0.701 57.563 58.100 0.274 0.000 1.114 135 Y CB 1.167 39.834 38.460 0.345 0.000 1.182 135 Y HN 0.484 nan 8.280 nan 0.000 0.463 136 D N 6.198 126.505 120.400 -0.155 0.000 2.316 136 D HA 0.124 4.754 4.640 -0.017 0.000 0.245 136 D C 0.413 176.349 176.300 -0.606 0.000 1.171 136 D CA 0.189 53.980 54.000 -0.348 0.000 0.856 136 D CB 1.069 41.760 40.800 -0.181 0.000 1.090 136 D HN 0.862 nan 8.370 nan 0.000 0.476 137 L N 3.567 124.492 121.223 -0.498 0.000 2.418 137 L HA -0.005 4.325 4.340 -0.017 0.000 0.218 137 L C 2.052 178.714 176.870 -0.347 0.000 1.125 137 L CA 0.038 54.679 54.840 -0.332 0.000 0.835 137 L CB -0.177 41.766 42.059 -0.194 0.000 0.953 137 L HN 0.333 nan 8.230 nan 0.000 0.454 138 N N 1.701 120.148 118.700 -0.422 0.000 2.142 138 N HA -0.160 4.570 4.740 -0.017 0.000 0.186 138 N C 1.297 176.662 175.510 -0.241 0.000 1.023 138 N CA 1.380 54.248 53.050 -0.304 0.000 0.852 138 N CB -0.033 38.272 38.487 -0.304 0.000 0.998 138 N HN 0.517 nan 8.380 nan 0.000 0.424 139 K N 0.357 120.594 120.400 -0.272 0.000 2.537 139 K HA 0.287 4.597 4.320 -0.017 0.000 0.206 139 K C -0.352 176.092 176.600 -0.258 0.000 1.041 139 K CA -0.419 55.739 56.287 -0.214 0.000 1.090 139 K CB 0.698 33.104 32.500 -0.156 0.000 0.833 139 K HN -0.253 nan 8.250 nan 0.000 0.493 140 R N 0.380 120.661 120.500 -0.365 0.000 3.484 140 R HA -0.212 4.118 4.340 -0.017 0.000 0.260 140 R C -0.677 175.350 176.300 -0.455 0.000 1.053 140 R CA 0.901 56.755 56.100 -0.410 0.000 0.703 140 R CB -2.613 27.613 30.300 -0.124 0.000 1.089 140 R HN 0.558 nan 8.270 nan 0.000 0.459 141 Q N -0.307 119.145 119.800 -0.580 0.000 2.297 141 Q HA 0.690 5.020 4.340 -0.017 0.000 0.268 141 Q C -0.663 175.185 176.000 -0.253 0.000 1.045 141 Q CA -0.872 54.763 55.803 -0.280 0.000 0.861 141 Q CB 1.598 30.248 28.738 -0.147 0.000 1.344 141 Q HN 0.287 nan 8.270 nan 0.000 0.452 142 L N 2.500 123.772 121.223 0.080 0.000 2.272 142 L HA 0.497 4.827 4.340 -0.017 0.000 0.289 142 L C -0.843 176.118 176.870 0.152 0.000 1.032 142 L CA -0.205 54.788 54.840 0.254 0.000 0.810 142 L CB 0.731 42.992 42.059 0.337 0.000 1.205 142 L HN 0.645 nan 8.230 nan 0.000 0.422 143 I N 3.842 124.504 120.570 0.155 0.000 2.618 143 I HA -0.001 4.159 4.170 -0.017 0.000 0.284 143 I C 1.139 177.316 176.117 0.101 0.000 1.146 143 I CA 0.457 61.824 61.300 0.112 0.000 1.425 143 I CB 0.917 38.985 38.000 0.113 0.000 1.383 143 I HN 0.751 nan 8.210 nan 0.000 0.562 144 T N 1.085 115.679 114.554 0.068 0.000 3.044 144 T HA 0.163 4.503 4.350 -0.017 0.000 0.260 144 T C 0.320 175.034 174.700 0.024 0.000 1.019 144 T CA -0.457 61.677 62.100 0.056 0.000 0.921 144 T CB 0.013 68.913 68.868 0.053 0.000 1.053 144 T HN 0.678 nan 8.240 nan 0.000 0.533 145 E N 1.290 121.496 120.200 0.011 0.000 2.207 145 E HA 0.404 4.744 4.350 -0.017 0.000 0.270 145 E C -0.869 175.709 176.600 -0.036 0.000 0.927 145 E CA -0.941 55.452 56.400 -0.012 0.000 0.799 145 E CB 0.993 30.688 29.700 -0.008 0.000 1.172 145 E HN -0.009 nan 8.360 nan 0.000 0.404 146 E N 1.312 121.477 120.200 -0.058 0.000 2.252 146 E HA -0.188 4.152 4.350 -0.017 0.000 0.218 146 E C -0.634 175.895 176.600 -0.119 0.000 1.253 146 E CA 0.618 56.965 56.400 -0.088 0.000 0.705 146 E CB -1.108 28.548 29.700 -0.074 0.000 1.172 146 E HN 0.549 nan 8.360 nan 0.000 0.369 147 R N 0.035 120.460 120.500 -0.125 0.000 2.643 147 R HA 0.275 4.605 4.340 -0.017 0.000 0.270 147 R C 1.197 177.326 176.300 -0.284 0.000 1.061 147 R CA -0.391 55.620 56.100 -0.149 0.000 1.107 147 R CB 0.501 30.745 30.300 -0.094 0.000 0.999 147 R HN 0.169 nan 8.270 nan 0.000 0.460 148 I N 4.263 124.622 120.570 -0.352 0.000 2.648 148 I HA 0.002 4.162 4.170 -0.017 0.000 0.284 148 I C -1.652 174.148 176.117 -0.529 0.000 1.153 148 I CA -1.503 59.417 61.300 -0.633 0.000 1.426 148 I CB 0.241 37.848 38.000 -0.655 0.000 1.381 148 I HN 0.223 nan 8.210 nan 0.000 0.571 149 P HA 0.021 nan 4.420 nan 0.000 0.270 149 P C -0.759 176.327 177.300 -0.357 0.000 1.227 149 P CA -0.177 62.501 63.100 -0.704 0.000 0.788 149 P CB 0.368 31.118 31.700 -1.583 0.000 0.926 150 N N 1.981 120.560 118.700 -0.202 0.000 2.445 150 N HA 0.078 4.808 4.740 -0.017 0.000 0.264 150 N C 0.229 175.795 175.510 0.093 0.000 1.227 150 N CA 0.054 53.049 53.050 -0.091 0.000 0.963 150 N CB -0.247 38.196 38.487 -0.074 0.000 1.188 150 N HN 0.410 nan 8.380 nan 0.000 0.491 151 N N -0.884 117.862 118.700 0.078 0.000 2.754 151 N HA -0.153 4.577 4.740 -0.017 0.000 0.248 151 N C -0.858 174.839 175.510 0.310 0.000 1.093 151 N CA 0.684 53.833 53.050 0.164 0.000 0.699 151 N CB -1.659 36.940 38.487 0.187 0.000 1.016 151 N HN 0.461 nan 8.380 nan 0.000 0.552 152 T N 0.652 115.366 114.554 0.266 0.000 2.869 152 T HA 0.182 4.522 4.350 -0.017 0.000 0.295 152 T C 1.690 176.543 174.700 0.254 0.000 0.987 152 T CA -0.064 62.214 62.100 0.296 0.000 1.109 152 T CB 1.425 70.366 68.868 0.121 0.000 0.932 152 T HN 0.161 nan 8.240 nan 0.000 0.518 153 Q N 1.598 121.536 119.800 0.230 0.000 2.302 153 Q HA 0.166 4.496 4.340 -0.017 0.000 0.202 153 Q C 0.062 176.207 176.000 0.241 0.000 0.936 153 Q CA 0.332 56.278 55.803 0.239 0.000 0.886 153 Q CB 0.857 29.683 28.738 0.146 0.000 0.986 153 Q HN 0.686 nan 8.270 nan 0.000 0.487 154 W N 0.007 121.248 121.300 -0.097 0.000 3.818 154 W HA 0.416 5.066 4.660 -0.017 0.000 0.283 154 W C -2.413 174.003 176.519 -0.172 0.000 1.265 154 W CA -0.608 56.637 57.345 -0.167 0.000 1.226 154 W CB 1.060 30.368 29.460 -0.253 0.000 1.281 154 W HN -0.346 nan 8.180 nan 0.000 0.539 155 V N 3.558 122.718 119.914 -1.256 0.000 2.760 155 V HA 0.744 4.854 4.120 -0.017 0.000 0.309 155 V C -0.448 174.948 176.094 -1.164 0.000 1.077 155 V CA -0.649 61.035 62.300 -1.027 0.000 0.910 155 V CB 1.593 32.749 31.823 -1.111 0.000 1.008 155 V HN 0.511 nan 8.190 nan 0.000 0.424 156 T N 2.679 116.871 114.554 -0.604 0.000 2.982 156 T HA 0.523 4.863 4.350 -0.017 0.000 0.321 156 T C -1.477 173.193 174.700 -0.051 0.000 1.229 156 T CA -0.321 61.613 62.100 -0.276 0.000 1.044 156 T CB 0.893 69.822 68.868 0.102 0.000 1.184 156 T HN 0.544 nan 8.240 nan 0.000 0.477 157 W N 2.861 124.180 121.300 0.033 0.000 2.129 157 W HA 0.478 5.128 4.660 -0.016 0.000 0.349 157 W C 1.247 177.619 176.519 -0.245 0.000 1.279 157 W CA -0.562 56.753 57.345 -0.050 0.000 1.306 157 W CB 0.617 30.048 29.460 -0.048 0.000 1.140 157 W HN 0.784 nan 8.180 nan 0.000 0.613 158 S N 0.871 116.304 115.700 -0.446 0.000 2.624 158 S HA 0.218 4.678 4.470 -0.017 0.000 0.263 158 S C -1.815 172.519 174.600 -0.442 0.000 1.287 158 S CA -1.029 56.346 58.200 -1.375 0.000 0.990 158 S CB 0.841 63.057 63.200 -1.640 0.000 0.950 158 S HN 0.297 nan 8.310 nan 0.000 0.561 159 P HA 0.122 nan 4.420 nan 0.000 0.223 159 P C -0.241 177.009 177.300 -0.084 0.000 1.151 159 P CA 0.504 63.559 63.100 -0.075 0.000 0.787 159 P CB -0.030 31.673 31.700 0.005 0.000 0.788 160 V N -1.907 117.910 119.914 -0.162 0.000 2.962 160 V HA 0.697 4.807 4.120 -0.017 0.000 0.313 160 V C 0.871 176.856 176.094 -0.181 0.000 1.099 160 V CA -0.129 62.093 62.300 -0.129 0.000 0.971 160 V CB 0.915 32.674 31.823 -0.106 0.000 1.028 160 V HN 0.397 nan 8.190 nan 0.000 0.430 161 G N 2.080 110.792 108.800 -0.146 0.000 2.547 161 G HA2 -0.228 3.722 3.960 -0.017 0.000 0.271 161 G HA3 -0.228 3.722 3.960 -0.017 0.000 0.271 161 G C 0.138 174.940 174.900 -0.163 0.000 1.209 161 G CA 0.653 45.631 45.100 -0.202 0.000 0.959 161 G HN 1.905 nan 8.290 nan 0.000 0.563 162 H N -0.507 118.532 119.070 -0.053 0.000 2.907 162 H HA 0.452 4.998 4.556 -0.017 0.000 0.233 162 H C 0.288 175.743 175.328 0.212 0.000 1.285 162 H CA -0.204 55.847 56.048 0.005 0.000 0.981 162 H CB -0.153 29.592 29.762 -0.028 0.000 2.255 162 H HN 0.509 nan 8.280 nan 0.000 0.601 163 K N 1.501 121.947 120.400 0.076 0.000 2.138 163 K HA 0.501 4.811 4.320 -0.017 0.000 0.251 163 K C -0.395 176.327 176.600 0.203 0.000 1.015 163 K CA -0.418 55.921 56.287 0.088 0.000 0.917 163 K CB 1.570 33.965 32.500 -0.175 0.000 1.021 163 K HN 0.148 nan 8.250 nan 0.000 0.485 164 L N 0.728 122.093 121.223 0.238 0.000 2.401 164 L HA 0.595 4.925 4.340 -0.017 0.000 0.266 164 L C -1.084 175.994 176.870 0.347 0.000 0.991 164 L CA -0.856 54.075 54.840 0.151 0.000 0.818 164 L CB 2.192 44.183 42.059 -0.114 0.000 1.321 164 L HN 0.719 nan 8.230 nan 0.000 0.413 165 A N 2.465 125.464 122.820 0.298 0.000 2.393 165 A HA 0.853 5.163 4.320 -0.017 0.000 0.306 165 A C -1.672 175.942 177.584 0.050 0.000 1.050 165 A CA -0.386 51.715 52.037 0.105 0.000 0.724 165 A CB 1.366 20.326 19.000 -0.067 0.000 1.248 165 A HN 0.666 nan 8.150 nan 0.000 0.424 166 Y N -0.803 119.441 120.300 -0.093 0.000 2.597 166 Y HA 0.770 5.310 4.550 -0.017 0.000 0.340 166 Y C -1.275 174.623 175.900 -0.004 0.000 1.097 166 Y CA -1.521 56.494 58.100 -0.141 0.000 1.037 166 Y CB 1.145 39.458 38.460 -0.246 0.000 1.305 166 Y HN 0.432 nan 8.280 nan 0.000 0.463 167 V N 1.873 121.903 119.914 0.193 0.000 2.495 167 V HA 0.427 4.537 4.120 -0.017 0.000 0.298 167 V C -1.482 174.811 176.094 0.331 0.000 1.031 167 V CA -0.655 61.729 62.300 0.141 0.000 0.871 167 V CB 1.524 33.345 31.823 -0.004 0.000 0.988 167 V HN 0.885 nan 8.190 nan 0.000 0.432 168 W N 4.582 125.962 121.300 0.133 0.000 3.259 168 W HA 0.475 5.125 4.660 -0.016 0.000 0.331 168 W C 0.177 176.741 176.519 0.074 0.000 1.144 168 W CA -0.787 56.617 57.345 0.098 0.000 1.227 168 W CB 1.280 30.777 29.460 0.063 0.000 1.371 168 W HN 0.784 nan 8.180 nan 0.000 0.491 169 N N 5.446 123.792 118.700 -0.589 0.000 2.727 169 N HA -0.347 4.383 4.740 -0.017 0.000 0.249 169 N C 0.209 175.537 175.510 -0.304 0.000 1.048 169 N CA 1.029 53.725 53.050 -0.591 0.000 0.714 169 N CB -1.077 36.863 38.487 -0.911 0.000 0.959 169 N HN 0.821 nan 8.380 nan 0.000 0.544 170 N N -2.022 116.557 118.700 -0.202 0.000 2.778 170 N HA -0.185 4.545 4.740 -0.017 0.000 0.249 170 N C -1.204 174.204 175.510 -0.170 0.000 1.069 170 N CA 1.166 54.112 53.050 -0.173 0.000 0.831 170 N CB -0.315 38.030 38.487 -0.236 0.000 1.142 170 N HN 0.456 nan 8.380 nan 0.000 0.573 171 D N 0.443 120.752 120.400 -0.151 0.000 2.340 171 D HA 0.481 5.111 4.640 -0.017 0.000 0.240 171 D C 0.216 176.317 176.300 -0.332 0.000 1.001 171 D CA -0.374 53.455 54.000 -0.285 0.000 0.888 171 D CB 1.539 42.116 40.800 -0.371 0.000 1.310 171 D HN 0.028 nan 8.370 nan 0.000 0.474 172 I N 1.740 121.954 120.570 -0.594 0.000 2.365 172 I HA 0.199 4.359 4.170 -0.017 0.000 0.291 172 I C -0.673 174.928 176.117 -0.860 0.000 1.004 172 I CA -0.396 60.532 61.300 -0.620 0.000 1.311 172 I CB 0.496 38.062 38.000 -0.724 0.000 1.401 172 I HN 0.144 nan 8.210 nan 0.000 0.491 173 Y N 4.407 124.304 120.300 -0.672 0.000 2.462 173 Y HA 0.591 5.131 4.550 -0.017 0.000 0.346 173 Y C -0.259 175.298 175.900 -0.572 0.000 0.976 173 Y CA -0.874 56.778 58.100 -0.747 0.000 1.044 173 Y CB 2.064 39.739 38.460 -1.309 0.000 1.230 173 Y HN 0.127 nan 8.280 nan 0.000 0.455 174 V N 3.159 123.011 119.914 -0.103 0.000 2.604 174 V HA 0.473 4.583 4.120 -0.017 0.000 0.305 174 V C -0.732 175.512 176.094 0.250 0.000 1.043 174 V CA -1.323 61.024 62.300 0.078 0.000 0.888 174 V CB 1.987 33.863 31.823 0.087 0.000 0.995 174 V HN 0.617 nan 8.190 nan 0.000 0.429 175 K N 3.895 124.451 120.400 0.261 0.000 2.483 175 K HA 0.492 4.802 4.320 -0.017 0.000 0.256 175 K C 0.363 177.107 176.600 0.241 0.000 0.961 175 K CA -0.686 55.739 56.287 0.230 0.000 0.873 175 K CB 1.625 34.217 32.500 0.152 0.000 1.107 175 K HN 0.462 nan 8.250 nan 0.000 0.432 176 I N 1.307 122.041 120.570 0.272 0.000 2.353 176 I HA -0.079 4.081 4.170 -0.017 0.000 0.248 176 I C 0.409 176.649 176.117 0.206 0.000 1.119 176 I CA 1.459 62.895 61.300 0.227 0.000 1.417 176 I CB -0.185 37.964 38.000 0.249 0.000 1.078 176 I HN 0.545 nan 8.210 nan 0.000 0.421 177 E N -0.303 119.992 120.200 0.158 0.000 2.266 177 E HA 0.286 4.626 4.350 -0.017 0.000 0.268 177 E C -1.912 174.660 176.600 -0.047 0.000 0.879 177 E CA -2.052 54.403 56.400 0.090 0.000 0.762 177 E CB 1.710 31.455 29.700 0.075 0.000 1.199 177 E HN -0.167 nan 8.360 nan 0.000 0.422 178 P HA -0.146 nan 4.420 nan 0.000 0.218 178 P C 0.689 177.909 177.300 -0.134 0.000 1.146 178 P CA 1.266 64.199 63.100 -0.278 0.000 0.813 178 P CB 0.299 31.582 31.700 -0.694 0.000 0.778 179 N N -1.902 116.745 118.700 -0.088 0.000 2.204 179 N HA 0.067 4.797 4.740 -0.017 0.000 0.219 179 N C -0.222 175.273 175.510 -0.025 0.000 1.151 179 N CA 0.045 53.075 53.050 -0.032 0.000 0.867 179 N CB -0.007 38.482 38.487 0.004 0.000 1.043 179 N HN 0.046 nan 8.380 nan 0.000 0.516 180 L N 1.169 122.375 121.223 -0.028 0.000 2.334 180 L HA 0.607 4.937 4.340 -0.017 0.000 0.270 180 L C -2.169 174.658 176.870 -0.072 0.000 1.018 180 L CA -2.135 52.685 54.840 -0.034 0.000 0.811 180 L CB 1.192 43.246 42.059 -0.007 0.000 1.271 180 L HN -0.113 nan 8.230 nan 0.000 0.443 181 P HA 0.080 nan 4.420 nan 0.000 0.266 181 P C -0.930 176.235 177.300 -0.225 0.000 1.193 181 P CA -0.088 62.919 63.100 -0.154 0.000 0.770 181 P CB 0.420 32.015 31.700 -0.175 0.000 0.836 182 S N 1.851 117.475 115.700 -0.127 0.000 2.646 182 S HA 0.461 4.921 4.470 -0.017 0.000 0.276 182 S C -0.946 173.585 174.600 -0.116 0.000 1.222 182 S CA -0.517 57.652 58.200 -0.052 0.000 1.014 182 S CB 0.343 63.637 63.200 0.157 0.000 0.991 182 S HN 0.249 nan 8.310 nan 0.000 0.533 183 Y N 0.402 120.740 120.300 0.063 0.000 2.335 183 Y HA 0.435 4.975 4.550 -0.017 0.000 0.339 183 Y C 0.965 176.779 175.900 -0.143 0.000 0.987 183 Y CA -0.797 57.311 58.100 0.013 0.000 1.140 183 Y CB 0.912 39.375 38.460 0.006 0.000 1.173 183 Y HN 0.574 nan 8.280 nan 0.000 0.486 184 R N 3.975 124.407 120.500 -0.114 0.000 2.370 184 R HA 0.136 4.466 4.340 -0.017 0.000 0.309 184 R C 0.314 176.194 176.300 -0.700 0.000 1.059 184 R CA 0.100 55.732 56.100 -0.779 0.000 0.981 184 R CB 0.413 30.046 30.300 -1.112 0.000 0.972 184 R HN 0.788 nan 8.270 nan 0.000 0.437 185 I N 1.972 122.105 120.570 -0.729 0.000 2.494 185 I HA -0.059 4.101 4.170 -0.017 0.000 0.250 185 I C 1.297 177.137 176.117 -0.462 0.000 1.112 185 I CA 1.101 62.126 61.300 -0.459 0.000 1.438 185 I CB -0.699 37.020 38.000 -0.469 0.000 1.111 185 I HN 0.539 nan 8.210 nan 0.000 0.431 186 T N -3.420 110.713 114.554 -0.701 0.000 2.888 186 T HA 0.306 4.646 4.350 -0.017 0.000 0.284 186 T C 0.008 174.353 174.700 -0.592 0.000 1.017 186 T CA -0.523 61.284 62.100 -0.487 0.000 1.022 186 T CB 2.134 70.712 68.868 -0.482 0.000 1.013 186 T HN 0.228 nan 8.240 nan 0.000 0.465 187 W N 1.541 122.718 121.300 -0.206 0.000 2.862 187 W HA 0.139 4.789 4.660 -0.017 0.000 0.376 187 W C 1.232 177.685 176.519 -0.111 0.000 1.028 187 W CA -0.062 57.199 57.345 -0.141 0.000 1.757 187 W CB 0.528 29.928 29.460 -0.099 0.000 1.128 187 W HN 0.963 nan 8.180 nan 0.000 0.566 188 T N -2.799 111.762 114.554 0.012 0.000 3.069 188 T HA 0.200 4.540 4.350 -0.017 0.000 0.252 188 T C 1.190 175.864 174.700 -0.045 0.000 1.053 188 T CA 0.036 62.139 62.100 0.004 0.000 0.964 188 T CB 0.319 69.192 68.868 0.009 0.000 1.005 188 T HN -0.042 nan 8.240 nan 0.000 0.532 189 G N 1.325 110.061 108.800 -0.106 0.000 2.321 189 G HA2 0.346 4.296 3.960 -0.017 0.000 0.237 189 G HA3 0.346 4.296 3.960 -0.017 0.000 0.237 189 G C -0.582 174.241 174.900 -0.128 0.000 1.282 189 G CA -0.318 44.700 45.100 -0.137 0.000 0.886 189 G HN 0.533 nan 8.290 nan 0.000 0.528 190 K N 1.745 122.053 120.400 -0.154 0.000 2.589 190 K HA 0.135 4.445 4.320 -0.017 0.000 0.253 190 K C -0.274 176.205 176.600 -0.202 0.000 0.974 190 K CA -0.628 55.575 56.287 -0.139 0.000 0.835 190 K CB 1.547 34.003 32.500 -0.074 0.000 1.272 190 K HN 0.663 nan 8.250 nan 0.000 0.444 191 E N 2.956 123.038 120.200 -0.197 0.000 2.708 191 E HA -0.163 4.177 4.350 -0.017 0.000 0.260 191 E C -0.508 175.995 176.600 -0.161 0.000 0.937 191 E CA 1.126 57.404 56.400 -0.205 0.000 0.953 191 E CB 0.271 29.892 29.700 -0.132 0.000 0.915 191 E HN 0.629 nan 8.360 nan 0.000 0.487 192 D N 2.305 122.589 120.400 -0.194 0.000 3.059 192 D HA -0.235 4.395 4.640 -0.017 0.000 0.213 192 D C 0.457 176.822 176.300 0.107 0.000 1.144 192 D CA 1.345 55.371 54.000 0.042 0.000 0.975 192 D CB -0.459 40.399 40.800 0.097 0.000 1.125 192 D HN 0.389 nan 8.370 nan 0.000 0.412 193 I N -1.129 119.422 120.570 -0.032 0.000 3.669 193 I HA 0.114 4.274 4.170 -0.017 0.000 0.255 193 I C 0.736 176.941 176.117 0.147 0.000 1.144 193 I CA 0.407 61.763 61.300 0.094 0.000 1.447 193 I CB 0.050 38.074 38.000 0.040 0.000 1.622 193 I HN -0.137 nan 8.210 nan 0.000 0.435 194 I N 1.921 122.489 120.570 -0.002 0.000 2.382 194 I HA 0.255 4.415 4.170 -0.017 0.000 0.286 194 I C -1.241 174.867 176.117 -0.015 0.000 1.002 194 I CA -0.548 60.804 61.300 0.087 0.000 1.135 194 I CB 0.816 38.842 38.000 0.043 0.000 1.288 194 I HN 0.050 nan 8.210 nan 0.000 0.448 195 Y N 4.848 125.229 120.300 0.136 0.000 2.369 195 Y HA 0.375 4.915 4.550 -0.017 0.000 0.337 195 Y C 0.480 176.428 175.900 0.079 0.000 0.961 195 Y CA -0.662 57.520 58.100 0.137 0.000 1.186 195 Y CB 0.828 39.458 38.460 0.285 0.000 1.139 195 Y HN 0.411 nan 8.280 nan 0.000 0.494 196 N N 2.257 120.999 118.700 0.072 0.000 2.444 196 N HA 0.336 5.066 4.740 -0.017 0.000 0.262 196 N C 0.848 176.274 175.510 -0.140 0.000 0.974 196 N CA 0.453 53.469 53.050 -0.057 0.000 0.933 196 N CB 1.861 40.209 38.487 -0.233 0.000 1.137 196 N HN 0.957 nan 8.380 nan 0.000 0.498 197 G N 1.647 110.388 108.800 -0.098 0.000 2.179 197 G HA2 -0.255 3.695 3.960 -0.017 0.000 0.260 197 G HA3 -0.255 3.695 3.960 -0.017 0.000 0.260 197 G C 0.097 174.854 174.900 -0.238 0.000 0.977 197 G CA 0.690 45.672 45.100 -0.196 0.000 0.641 197 G HN 0.650 nan 8.290 nan 0.000 0.533 198 I N -1.498 119.002 120.570 -0.117 0.000 2.769 198 I HA 0.742 4.902 4.170 -0.017 0.000 0.298 198 I C 0.344 176.517 176.117 0.093 0.000 1.128 198 I CA -0.704 60.445 61.300 -0.252 0.000 1.031 198 I CB 1.973 39.632 38.000 -0.569 0.000 1.235 198 I HN 0.158 nan 8.210 nan 0.000 0.423 199 T N -0.121 114.442 114.554 0.015 0.000 2.904 199 T HA 0.311 4.651 4.350 -0.017 0.000 0.290 199 T C -0.125 174.426 174.700 -0.249 0.000 1.018 199 T CA -0.644 61.353 62.100 -0.171 0.000 1.075 199 T CB 1.035 69.875 68.868 -0.047 0.000 0.986 199 T HN 0.750 nan 8.240 nan 0.000 0.523 200 D N 0.800 120.767 120.400 -0.722 0.000 2.447 200 D HA 0.026 4.656 4.640 -0.017 0.000 0.265 200 D C 0.991 177.212 176.300 -0.133 0.000 1.250 200 D CA -1.138 52.407 54.000 -0.759 0.000 1.046 200 D CB 0.111 40.389 40.800 -0.870 0.000 1.095 200 D HN 0.712 nan 8.370 nan 0.000 0.555 201 W N 0.206 121.461 121.300 -0.075 0.000 2.302 201 W HA -0.257 4.394 4.660 -0.015 0.000 0.320 201 W C 2.173 178.587 176.519 -0.175 0.000 1.241 201 W CA 2.629 59.926 57.345 -0.081 0.000 1.264 201 W CB -0.435 28.922 29.460 -0.172 0.000 1.154 201 W HN 0.205 nan 8.180 nan 0.000 0.483 202 V N -0.367 119.608 119.914 0.102 0.000 2.453 202 V HA -0.276 3.834 4.120 -0.017 0.000 0.247 202 V C 1.844 177.756 176.094 -0.303 0.000 1.048 202 V CA 1.947 64.180 62.300 -0.112 0.000 1.049 202 V CB -0.732 31.031 31.823 -0.100 0.000 0.672 202 V HN 0.294 nan 8.190 nan 0.000 0.457 203 Y N 0.612 120.719 120.300 -0.323 0.000 2.293 203 Y HA -0.150 4.390 4.550 -0.017 0.000 0.291 203 Y C 2.567 178.349 175.900 -0.198 0.000 1.137 203 Y CA 2.046 59.958 58.100 -0.314 0.000 1.202 203 Y CB 0.024 38.185 38.460 -0.498 0.000 0.990 203 Y HN 0.387 nan 8.280 nan 0.000 0.537 204 E N 0.285 120.431 120.200 -0.091 0.000 2.028 204 E HA -0.269 4.071 4.350 -0.017 0.000 0.191 204 E C 2.042 178.578 176.600 -0.107 0.000 0.988 204 E CA 1.402 57.781 56.400 -0.035 0.000 0.799 204 E CB 0.011 29.681 29.700 -0.050 0.000 0.755 204 E HN 0.391 nan 8.360 nan 0.000 0.447 205 E N 0.421 120.360 120.200 -0.435 0.000 2.028 205 E HA -0.188 4.152 4.350 -0.017 0.000 0.191 205 E C 1.855 178.320 176.600 -0.224 0.000 0.988 205 E CA 1.715 57.852 56.400 -0.438 0.000 0.799 205 E CB 0.053 29.173 29.700 -0.967 0.000 0.755 205 E HN 0.203 nan 8.360 nan 0.000 0.447 206 E N -0.420 119.621 120.200 -0.265 0.000 2.276 206 E HA -0.002 4.338 4.350 -0.017 0.000 0.193 206 E C 1.965 178.426 176.600 -0.232 0.000 0.983 206 E CA 1.029 57.317 56.400 -0.186 0.000 0.861 206 E CB 0.500 30.068 29.700 -0.220 0.000 0.817 206 E HN 0.342 nan 8.360 nan 0.000 0.485 207 V N -1.650 118.075 119.914 -0.315 0.000 2.948 207 V HA 0.107 4.217 4.120 -0.017 0.000 0.234 207 V C 1.215 177.081 176.094 -0.381 0.000 1.205 207 V CA 0.305 62.347 62.300 -0.430 0.000 1.234 207 V CB -0.234 31.160 31.823 -0.716 0.000 1.020 207 V HN -0.013 nan 8.190 nan 0.000 0.491 208 F N 1.787 121.762 119.950 0.042 0.000 2.776 208 F HA 0.452 4.969 4.527 -0.017 0.000 0.300 208 F C 1.592 177.363 175.800 -0.049 0.000 1.116 208 F CA 0.509 58.543 58.000 0.057 0.000 1.375 208 F CB -0.421 38.658 39.000 0.132 0.000 1.109 208 F HN 0.197 nan 8.300 nan 0.000 0.585 209 S N 0.570 116.295 115.700 0.042 0.000 3.549 209 S HA 0.020 4.480 4.470 -0.017 0.000 0.366 209 S C 0.119 174.349 174.600 -0.616 0.000 1.012 209 S CA 0.437 58.535 58.200 -0.169 0.000 1.141 209 S CB -1.726 61.406 63.200 -0.113 0.000 0.910 209 S HN 0.695 nan 8.310 nan 0.000 0.471 210 A N -0.561 122.118 122.820 -0.234 0.000 2.567 210 A HA 0.667 4.977 4.320 -0.017 0.000 0.291 210 A C -0.345 177.230 177.584 -0.014 0.000 1.048 210 A CA -0.462 51.447 52.037 -0.213 0.000 0.661 210 A CB 0.151 19.011 19.000 -0.233 0.000 1.288 210 A HN 0.366 nan 8.150 nan 0.000 0.424 211 Y N 1.228 121.375 120.300 -0.255 0.000 2.397 211 Y HA 0.240 4.780 4.550 -0.016 0.000 0.292 211 Y C 1.552 177.168 175.900 -0.473 0.000 1.115 211 Y CA 0.977 58.935 58.100 -0.238 0.000 1.208 211 Y CB -0.003 38.363 38.460 -0.157 0.000 1.046 211 Y HN 0.715 nan 8.280 nan 0.000 0.552 212 S N 0.808 115.975 115.700 -0.889 0.000 2.537 212 S HA 0.409 4.869 4.470 -0.017 0.000 0.286 212 S C 0.254 174.304 174.600 -0.918 0.000 1.299 212 S CA 0.237 57.649 58.200 -1.312 0.000 1.067 212 S CB 0.253 62.319 63.200 -1.891 0.000 0.864 212 S HN 0.446 nan 8.310 nan 0.000 0.494 213 A N 4.665 126.971 122.820 -0.857 0.000 3.176 213 A HA 0.532 4.842 4.320 -0.017 0.000 0.265 213 A C -0.925 176.068 177.584 -0.984 0.000 0.936 213 A CA -0.656 50.866 52.037 -0.860 0.000 1.033 213 A CB -0.354 18.582 19.000 -0.106 0.000 1.158 213 A HN 0.992 nan 8.150 nan 0.000 0.485 214 L N -4.352 116.059 121.223 -1.353 0.000 2.493 214 L HA 0.810 5.140 4.340 -0.017 0.000 0.265 214 L C -1.425 175.011 176.870 -0.725 0.000 0.954 214 L CA -1.187 53.223 54.840 -0.717 0.000 0.844 214 L CB 0.856 42.705 42.059 -0.350 0.000 1.302 214 L HN 0.252 nan 8.230 nan 0.000 0.405 215 W N 2.310 123.651 121.300 0.068 0.000 2.499 215 W HA 0.365 5.014 4.660 -0.017 0.000 0.320 215 W C -1.185 175.555 176.519 0.368 0.000 1.010 215 W CA -0.735 56.772 57.345 0.270 0.000 1.267 215 W CB 1.508 31.190 29.460 0.369 0.000 1.316 215 W HN 0.625 nan 8.180 nan 0.000 0.431 216 W N 2.155 123.661 121.300 0.343 0.000 2.150 216 W HA 0.190 4.841 4.660 -0.017 0.000 0.341 216 W C 1.273 177.606 176.519 -0.310 0.000 1.276 216 W CA 0.358 57.763 57.345 0.101 0.000 1.238 216 W CB 0.717 30.206 29.460 0.048 0.000 1.128 216 W HN 0.180 nan 8.180 nan 0.000 0.581 217 S N 1.652 117.073 115.700 -0.465 0.000 2.614 217 S HA 0.246 4.706 4.470 -0.017 0.000 0.265 217 S C -1.849 172.499 174.600 -0.420 0.000 1.303 217 S CA -1.082 56.292 58.200 -1.376 0.000 1.000 217 S CB 1.201 63.652 63.200 -1.248 0.000 0.935 217 S HN 0.261 nan 8.310 nan 0.000 0.551 218 P HA -0.160 nan 4.420 nan 0.000 0.216 218 P C 0.790 178.061 177.300 -0.048 0.000 1.154 218 P CA 1.607 64.675 63.100 -0.053 0.000 0.865 218 P CB -0.192 31.526 31.700 0.030 0.000 0.789 219 N N -2.093 116.567 118.700 -0.066 0.000 2.235 219 N HA 0.144 4.874 4.740 -0.017 0.000 0.209 219 N C 1.022 176.465 175.510 -0.111 0.000 1.122 219 N CA 0.352 53.362 53.050 -0.067 0.000 0.845 219 N CB -0.743 37.723 38.487 -0.036 0.000 1.004 219 N HN 0.150 nan 8.380 nan 0.000 0.499 220 G N -0.722 108.013 108.800 -0.108 0.000 2.162 220 G HA2 -0.344 3.606 3.960 -0.017 0.000 0.260 220 G HA3 -0.344 3.606 3.960 -0.017 0.000 0.260 220 G C 0.872 175.801 174.900 0.048 0.000 0.976 220 G CA 0.893 45.936 45.100 -0.095 0.000 0.655 220 G HN 0.398 nan 8.290 nan 0.000 0.533 221 T N -0.219 114.293 114.554 -0.071 0.000 2.812 221 T HA 0.251 4.591 4.350 -0.017 0.000 0.264 221 T C 0.867 175.381 174.700 -0.310 0.000 1.042 221 T CA 1.148 63.096 62.100 -0.254 0.000 1.140 221 T CB -0.022 68.553 68.868 -0.488 0.000 0.870 221 T HN 0.292 nan 8.240 nan 0.000 0.445 222 F N 0.485 120.464 119.950 0.050 0.000 2.432 222 F HA 0.636 5.153 4.527 -0.017 0.000 0.329 222 F C -0.230 175.612 175.800 0.069 0.000 1.076 222 F CA -1.672 56.377 58.000 0.081 0.000 1.018 222 F CB 1.123 40.218 39.000 0.159 0.000 1.201 222 F HN -0.111 nan 8.300 nan 0.000 0.489 223 L N 2.702 124.033 121.223 0.181 0.000 2.372 223 L HA 0.786 5.116 4.340 -0.017 0.000 0.273 223 L C -0.675 176.263 176.870 0.114 0.000 0.989 223 L CA -0.451 54.308 54.840 -0.135 0.000 0.841 223 L CB 0.757 42.452 42.059 -0.605 0.000 1.225 223 L HN 0.666 nan 8.230 nan 0.000 0.414 224 A N 4.625 127.603 122.820 0.264 0.000 2.303 224 A HA 0.785 5.095 4.320 -0.017 0.000 0.317 224 A C -1.348 176.266 177.584 0.050 0.000 1.149 224 A CA -0.221 51.843 52.037 0.045 0.000 0.822 224 A CB 0.548 19.669 19.000 0.201 0.000 1.131 224 A HN 0.885 nan 8.150 nan 0.000 0.493 225 Y N -1.757 118.256 120.300 -0.479 0.000 2.609 225 Y HA 0.759 5.298 4.550 -0.017 0.000 0.336 225 Y C -0.344 175.321 175.900 -0.392 0.000 1.129 225 Y CA -0.903 57.049 58.100 -0.246 0.000 1.040 225 Y CB 0.826 39.147 38.460 -0.232 0.000 1.310 225 Y HN 0.930 nan 8.280 nan 0.000 0.460 226 A N 1.933 124.795 122.820 0.070 0.000 2.311 226 A HA 0.741 5.051 4.320 -0.017 0.000 0.334 226 A C -1.240 176.240 177.584 -0.172 0.000 1.139 226 A CA -0.841 51.123 52.037 -0.122 0.000 0.830 226 A CB 1.836 20.759 19.000 -0.128 0.000 1.234 226 A HN 0.838 nan 8.150 nan 0.000 0.483 227 Q N 0.760 120.363 119.800 -0.328 0.000 2.285 227 Q HA 0.597 4.927 4.340 -0.017 0.000 0.269 227 Q C -2.185 173.591 176.000 -0.373 0.000 1.030 227 Q CA -0.379 55.328 55.803 -0.160 0.000 0.788 227 Q CB 1.214 30.056 28.738 0.173 0.000 1.266 227 Q HN 0.580 nan 8.270 nan 0.000 0.438 228 F N 2.437 122.490 119.950 0.171 0.000 2.458 228 F HA 0.406 4.923 4.527 -0.016 0.000 0.336 228 F C 0.360 176.308 175.800 0.247 0.000 1.114 228 F CA -0.914 57.168 58.000 0.137 0.000 0.987 228 F CB 1.410 40.402 39.000 -0.014 0.000 1.130 228 F HN 0.442 nan 8.300 nan 0.000 0.458 229 N N 2.172 121.081 118.700 0.350 0.000 2.469 229 N HA 0.200 4.930 4.740 -0.017 0.000 0.253 229 N C -0.668 175.015 175.510 0.289 0.000 0.970 229 N CA -0.266 52.958 53.050 0.289 0.000 0.940 229 N CB 0.971 39.577 38.487 0.199 0.000 1.128 229 N HN 0.549 nan 8.380 nan 0.000 0.503 230 D N 1.371 121.964 120.400 0.320 0.000 2.368 230 D HA 0.119 4.749 4.640 -0.017 0.000 0.218 230 D C 1.173 177.595 176.300 0.203 0.000 1.112 230 D CA 0.173 54.338 54.000 0.276 0.000 0.834 230 D CB 0.512 41.526 40.800 0.358 0.000 0.953 230 D HN 0.485 nan 8.370 nan 0.000 0.505 231 T N 0.334 114.991 114.554 0.171 0.000 2.680 231 T HA -0.227 4.113 4.350 -0.017 0.000 0.268 231 T C 1.355 176.117 174.700 0.103 0.000 1.033 231 T CA 1.375 63.549 62.100 0.123 0.000 1.152 231 T CB -0.060 68.869 68.868 0.101 0.000 0.859 231 T HN 0.321 nan 8.240 nan 0.000 0.452 232 E N 0.148 120.410 120.200 0.102 0.000 2.476 232 E HA 0.172 4.512 4.350 -0.017 0.000 0.196 232 E C -0.330 176.322 176.600 0.087 0.000 1.029 232 E CA -0.250 56.199 56.400 0.082 0.000 0.896 232 E CB 0.589 30.331 29.700 0.070 0.000 1.012 232 E HN 0.200 nan 8.360 nan 0.000 0.475 233 V N 3.692 123.672 119.914 0.110 0.000 2.521 233 V HA 0.056 4.166 4.120 -0.017 0.000 0.286 233 V C -1.936 174.218 176.094 0.100 0.000 1.034 233 V CA -1.211 61.157 62.300 0.114 0.000 1.045 233 V CB 0.357 32.267 31.823 0.144 0.000 0.974 233 V HN 0.054 nan 8.190 nan 0.000 0.480 234 P HA 0.280 nan 4.420 nan 0.000 0.273 234 P C -0.835 176.507 177.300 0.069 0.000 1.250 234 P CA -0.326 62.814 63.100 0.068 0.000 0.793 234 P CB 0.510 32.247 31.700 0.061 0.000 1.011 235 L N 1.055 122.295 121.223 0.029 0.000 2.317 235 L HA 0.492 4.822 4.340 -0.017 0.000 0.281 235 L C 0.130 176.952 176.870 -0.079 0.000 1.024 235 L CA -0.965 53.874 54.840 -0.001 0.000 0.810 235 L CB 1.178 43.230 42.059 -0.012 0.000 1.240 235 L HN 0.263 nan 8.230 nan 0.000 0.427 236 I N 2.211 122.687 120.570 -0.157 0.000 2.396 236 I HA 0.303 4.463 4.170 -0.017 0.000 0.292 236 I C -0.405 175.558 176.117 -0.257 0.000 0.999 236 I CA 0.126 61.225 61.300 -0.335 0.000 1.310 236 I CB 1.027 38.567 38.000 -0.767 0.000 1.404 236 I HN 0.589 nan 8.210 nan 0.000 0.496 237 E N 7.247 127.314 120.200 -0.222 0.000 2.248 237 E HA 0.534 4.874 4.350 -0.017 0.000 0.267 237 E C -1.808 174.722 176.600 -0.117 0.000 0.877 237 E CA -0.584 55.688 56.400 -0.212 0.000 0.759 237 E CB 2.088 31.696 29.700 -0.154 0.000 1.182 237 E HN 0.567 nan 8.360 nan 0.000 0.418 238 Y N -1.804 118.409 120.300 -0.145 0.000 2.609 238 Y HA 0.526 5.065 4.550 -0.019 0.000 0.336 238 Y C -0.743 175.088 175.900 -0.116 0.000 1.129 238 Y CA -1.295 56.728 58.100 -0.128 0.000 1.040 238 Y CB 0.879 39.271 38.460 -0.113 0.000 1.310 238 Y HN 0.208 nan 8.280 nan 0.000 0.460 239 S N 2.220 117.907 115.700 -0.021 0.000 2.548 239 S HA 0.403 4.863 4.470 -0.017 0.000 0.277 239 S C -1.317 173.087 174.600 -0.327 0.000 1.315 239 S CA -0.300 57.736 58.200 -0.274 0.000 1.050 239 S CB 0.170 63.076 63.200 -0.490 0.000 0.918 239 S HN 0.526 nan 8.310 nan 0.000 0.497 240 F N 2.946 122.611 119.950 -0.475 0.000 2.460 240 F HA 0.420 4.938 4.527 -0.015 0.000 0.341 240 F C -0.122 175.438 175.800 -0.399 0.000 1.130 240 F CA -0.969 56.842 58.000 -0.313 0.000 0.962 240 F CB 0.700 39.651 39.000 -0.082 0.000 1.171 240 F HN 0.658 nan 8.300 nan 0.000 0.436 241 Y N 2.779 122.860 120.300 -0.365 0.000 2.365 241 Y HA 0.076 4.616 4.550 -0.017 0.000 0.293 241 Y C 1.748 177.564 175.900 -0.139 0.000 1.119 241 Y CA 1.160 59.139 58.100 -0.202 0.000 1.203 241 Y CB -0.577 37.759 38.460 -0.207 0.000 1.026 241 Y HN 0.730 nan 8.280 nan 0.000 0.549 242 S N -0.356 115.233 115.700 -0.186 0.000 3.513 242 S HA -0.217 4.243 4.470 -0.017 0.000 0.636 242 S C -0.587 174.051 174.600 0.064 0.000 2.452 242 S CA 0.086 58.330 58.200 0.073 0.000 2.644 242 S CB -1.117 62.233 63.200 0.250 0.000 0.331 242 S HN 0.460 nan 8.310 nan 0.000 1.787 243 D N 1.491 121.949 120.400 0.097 0.000 2.400 243 D HA 0.128 4.758 4.640 -0.017 0.000 0.238 243 D C 1.447 177.777 176.300 0.051 0.000 1.157 243 D CA 0.435 54.474 54.000 0.065 0.000 0.889 243 D CB 0.239 41.079 40.800 0.067 0.000 1.199 243 D HN 0.620 nan 8.370 nan 0.000 0.436 244 E N 0.664 120.882 120.200 0.030 0.000 2.136 244 E HA -0.286 4.054 4.350 -0.017 0.000 0.202 244 E C 1.669 178.282 176.600 0.021 0.000 1.019 244 E CA 1.867 58.276 56.400 0.016 0.000 0.819 244 E CB 0.064 29.767 29.700 0.006 0.000 0.739 244 E HN 0.481 nan 8.360 nan 0.000 0.458 245 S N 0.073 115.791 115.700 0.029 0.000 2.493 245 S HA -0.116 4.344 4.470 -0.017 0.000 0.243 245 S C 1.086 175.712 174.600 0.043 0.000 0.991 245 S CA 0.158 58.377 58.200 0.031 0.000 0.957 245 S CB -0.248 62.973 63.200 0.034 0.000 0.756 245 S HN 0.251 nan 8.310 nan 0.000 0.521 246 L N 1.982 123.240 121.223 0.057 0.000 2.418 246 L HA 0.156 4.486 4.340 -0.017 0.000 0.274 246 L C 1.568 178.473 176.870 0.057 0.000 1.135 246 L CA 0.004 54.890 54.840 0.077 0.000 0.870 246 L CB 1.065 43.185 42.059 0.102 0.000 1.154 246 L HN 0.410 nan 8.230 nan 0.000 0.462 247 Q N 3.885 123.725 119.800 0.068 0.000 2.062 247 Q HA -0.073 4.257 4.340 -0.017 0.000 0.196 247 Q C -0.587 175.336 176.000 -0.130 0.000 0.967 247 Q CA 1.273 57.065 55.803 -0.019 0.000 0.832 247 Q CB 0.226 28.985 28.738 0.036 0.000 0.899 247 Q HN 0.595 nan 8.270 nan 0.000 0.442 248 Y N 0.750 121.067 120.300 0.028 0.000 2.328 248 Y HA 0.366 4.908 4.550 -0.014 0.000 0.337 248 Y C -2.063 173.853 175.900 0.026 0.000 0.966 248 Y CA -2.890 55.224 58.100 0.023 0.000 1.136 248 Y CB 1.361 39.826 38.460 0.008 0.000 1.170 248 Y HN 0.162 nan 8.280 nan 0.000 0.470 249 P HA 0.001 nan 4.420 nan 0.000 0.267 249 P C -0.627 176.691 177.300 0.031 0.000 1.200 249 P CA -0.382 62.750 63.100 0.053 0.000 0.772 249 P CB 0.724 32.418 31.700 -0.010 0.000 0.855 250 K N 1.325 121.729 120.400 0.008 0.000 2.118 250 K HA 0.327 4.637 4.320 -0.017 0.000 0.267 250 K C -0.702 175.859 176.600 -0.064 0.000 0.991 250 K CA -0.308 55.982 56.287 0.005 0.000 0.916 250 K CB 0.556 33.090 32.500 0.057 0.000 1.041 250 K HN 0.324 nan 8.250 nan 0.000 0.455 251 T N 2.978 117.479 114.554 -0.088 0.000 2.753 251 T HA 0.225 4.565 4.350 -0.017 0.000 0.297 251 T C -0.504 174.074 174.700 -0.204 0.000 0.981 251 T CA -0.611 61.400 62.100 -0.149 0.000 0.956 251 T CB 0.977 69.774 68.868 -0.119 0.000 0.936 251 T HN 0.289 nan 8.240 nan 0.000 0.463 252 V N 6.048 125.748 119.914 -0.356 0.000 2.546 252 V HA 0.511 4.621 4.120 -0.017 0.000 0.284 252 V C 0.349 176.193 176.094 -0.416 0.000 1.050 252 V CA -0.678 61.371 62.300 -0.419 0.000 0.981 252 V CB 0.644 32.064 31.823 -0.670 0.000 0.990 252 V HN 0.762 nan 8.190 nan 0.000 0.474 253 R N 4.127 124.500 120.500 -0.212 0.000 2.502 253 R HA 0.747 5.077 4.340 -0.017 0.000 0.300 253 R C -1.514 174.776 176.300 -0.016 0.000 0.984 253 R CA -0.617 55.397 56.100 -0.142 0.000 0.882 253 R CB 1.457 31.700 30.300 -0.095 0.000 1.180 253 R HN 0.486 nan 8.270 nan 0.000 0.444 254 V N 2.110 122.021 119.914 -0.005 0.000 2.638 254 V HA 0.522 4.632 4.120 -0.017 0.000 0.306 254 V C -2.702 173.451 176.094 0.098 0.000 1.052 254 V CA -2.445 59.926 62.300 0.118 0.000 0.885 254 V CB 2.591 34.518 31.823 0.173 0.000 0.999 254 V HN 0.582 nan 8.190 nan 0.000 0.424 255 P HA 0.187 nan 4.420 nan 0.000 0.261 255 P C -1.734 175.678 177.300 0.187 0.000 1.203 255 P CA 0.623 63.833 63.100 0.184 0.000 0.767 255 P CB -0.340 31.511 31.700 0.252 0.000 0.785 256 Y N 6.582 126.863 120.300 -0.033 0.000 2.307 256 Y HA 0.398 4.939 4.550 -0.015 0.000 0.323 256 Y C -2.821 173.056 175.900 -0.040 0.000 1.100 256 Y CA -2.993 55.040 58.100 -0.111 0.000 1.140 256 Y CB 1.775 40.040 38.460 -0.326 0.000 1.159 256 Y HN 0.271 nan 8.280 nan 0.000 0.436 257 P HA 0.278 nan 4.420 nan 0.000 0.292 257 P C -0.919 176.445 177.300 0.106 0.000 1.326 257 P CA -0.228 62.926 63.100 0.090 0.000 0.787 257 P CB 1.567 33.295 31.700 0.048 0.000 0.903 258 K N 2.034 122.571 120.400 0.228 0.000 2.155 258 K HA 0.508 4.818 4.320 -0.017 0.000 0.237 258 K C 0.577 177.276 176.600 0.166 0.000 1.040 258 K CA -0.739 55.699 56.287 0.252 0.000 0.912 258 K CB 0.448 33.112 32.500 0.272 0.000 1.137 258 K HN 0.463 nan 8.250 nan 0.000 0.498 259 A N 0.510 123.453 122.820 0.204 0.000 2.566 259 A HA 0.267 4.577 4.320 -0.017 0.000 0.245 259 A C 1.177 178.798 177.584 0.060 0.000 1.056 259 A CA 1.009 53.153 52.037 0.177 0.000 0.757 259 A CB -1.245 17.941 19.000 0.310 0.000 0.979 259 A HN 0.889 nan 8.150 nan 0.000 0.508 260 G N 0.924 109.752 108.800 0.046 0.000 2.184 260 G HA2 0.080 4.030 3.960 -0.017 0.000 0.264 260 G HA3 0.080 4.030 3.960 -0.017 0.000 0.264 260 G C 0.709 175.621 174.900 0.022 0.000 0.975 260 G CA 0.904 46.006 45.100 0.003 0.000 0.642 260 G HN 2.156 nan 8.290 nan 0.000 0.536 261 A N -0.555 122.295 122.820 0.050 0.000 2.250 261 A HA 0.764 5.074 4.320 -0.017 0.000 0.283 261 A C 0.848 178.464 177.584 0.054 0.000 1.206 261 A CA 0.317 52.386 52.037 0.054 0.000 0.840 261 A CB 0.559 19.606 19.000 0.078 0.000 1.220 261 A HN 1.129 nan 8.150 nan 0.000 0.505 262 V N 1.998 121.946 119.914 0.056 0.000 2.572 262 V HA 0.079 4.189 4.120 -0.017 0.000 0.291 262 V C 0.199 176.340 176.094 0.078 0.000 1.039 262 V CA -0.146 62.189 62.300 0.058 0.000 1.055 262 V CB 0.223 32.081 31.823 0.058 0.000 0.969 262 V HN 0.774 nan 8.190 nan 0.000 0.482 263 N N 5.713 124.460 118.700 0.078 0.000 2.489 263 N HA 0.501 5.231 4.740 -0.017 0.000 0.284 263 N C -2.434 173.164 175.510 0.146 0.000 1.158 263 N CA -1.556 51.562 53.050 0.114 0.000 0.965 263 N CB 1.415 39.966 38.487 0.107 0.000 1.195 263 N HN 0.393 nan 8.380 nan 0.000 0.506 264 P HA 0.078 nan 4.420 nan 0.000 0.270 264 P C -0.458 177.009 177.300 0.278 0.000 1.223 264 P CA -0.106 63.156 63.100 0.269 0.000 0.785 264 P CB 0.310 32.220 31.700 0.350 0.000 0.923 265 T N -1.611 113.088 114.554 0.243 0.000 2.945 265 T HA 0.589 4.930 4.350 -0.017 0.000 0.286 265 T C -0.313 174.529 174.700 0.236 0.000 1.025 265 T CA -0.839 61.368 62.100 0.178 0.000 1.039 265 T CB 1.544 70.478 68.868 0.111 0.000 1.068 265 T HN 0.314 nan 8.240 nan 0.000 0.497 266 V N 0.651 120.682 119.914 0.194 0.000 2.962 266 V HA 0.772 4.882 4.120 -0.017 0.000 0.313 266 V C -1.507 174.677 176.094 0.151 0.000 1.099 266 V CA -0.887 61.495 62.300 0.136 0.000 0.971 266 V CB 2.080 34.030 31.823 0.211 0.000 1.028 266 V HN 1.046 nan 8.190 nan 0.000 0.430 267 K N 4.350 124.781 120.400 0.050 0.000 2.464 267 K HA 0.512 4.822 4.320 -0.017 0.000 0.253 267 K C -1.901 174.656 176.600 -0.073 0.000 0.933 267 K CA -0.445 55.850 56.287 0.014 0.000 0.801 267 K CB 2.764 35.284 32.500 0.033 0.000 1.271 267 K HN 0.543 nan 8.250 nan 0.000 0.430 268 F N 2.219 121.934 119.950 -0.391 0.000 2.480 268 F HA 0.595 5.112 4.527 -0.017 0.000 0.329 268 F C -1.178 174.099 175.800 -0.872 0.000 1.091 268 F CA -0.592 57.140 58.000 -0.447 0.000 0.972 268 F CB 0.834 39.675 39.000 -0.266 0.000 1.150 268 F HN 0.388 nan 8.300 nan 0.000 0.467 269 F N 3.038 122.322 119.950 -1.110 0.000 2.613 269 F HA 0.742 5.259 4.527 -0.017 0.000 0.314 269 F C -1.054 174.142 175.800 -1.006 0.000 1.075 269 F CA -1.147 56.284 58.000 -0.948 0.000 0.945 269 F CB 2.103 40.407 39.000 -1.160 0.000 1.310 269 F HN 0.091 nan 8.300 nan 0.000 0.467 270 V N 2.429 122.150 119.914 -0.322 0.000 2.569 270 V HA 0.570 4.680 4.120 -0.017 0.000 0.301 270 V C -1.209 174.965 176.094 0.133 0.000 1.044 270 V CA -0.774 61.403 62.300 -0.205 0.000 0.874 270 V CB 1.871 33.327 31.823 -0.611 0.000 1.002 270 V HN 0.611 nan 8.190 nan 0.000 0.424 271 V N 4.353 124.406 119.914 0.231 0.000 2.715 271 V HA 0.553 4.663 4.120 -0.017 0.000 0.310 271 V C -0.173 176.111 176.094 0.317 0.000 1.054 271 V CA -0.637 61.821 62.300 0.262 0.000 0.928 271 V CB 2.122 34.045 31.823 0.168 0.000 1.007 271 V HN 1.000 nan 8.190 nan 0.000 0.437 272 N N 2.610 121.459 118.700 0.248 0.000 2.420 272 N HA 0.206 4.936 4.740 -0.017 0.000 0.249 272 N C 1.010 176.492 175.510 -0.046 0.000 1.033 272 N CA 0.238 53.313 53.050 0.042 0.000 0.944 272 N CB 1.177 39.672 38.487 0.014 0.000 1.113 272 N HN 0.867 nan 8.380 nan 0.000 0.502 273 T N -0.377 114.142 114.554 -0.058 0.000 3.160 273 T HA 0.019 4.359 4.350 -0.017 0.000 0.257 273 T C 0.312 174.967 174.700 -0.074 0.000 1.147 273 T CA 0.435 62.519 62.100 -0.026 0.000 1.064 273 T CB 0.038 69.003 68.868 0.162 0.000 0.949 273 T HN 0.395 nan 8.240 nan 0.000 0.526 274 D N 1.277 121.608 120.400 -0.115 0.000 2.369 274 D HA 0.121 4.751 4.640 -0.017 0.000 0.211 274 D C 1.399 177.647 176.300 -0.086 0.000 1.077 274 D CA 0.302 54.242 54.000 -0.100 0.000 0.842 274 D CB 0.493 41.222 40.800 -0.118 0.000 0.947 274 D HN 0.635 nan 8.370 nan 0.000 0.509 275 S N -0.775 114.869 115.700 -0.093 0.000 2.663 275 S HA 0.195 4.655 4.470 -0.017 0.000 0.243 275 S C 1.596 176.128 174.600 -0.113 0.000 1.009 275 S CA -0.364 57.799 58.200 -0.062 0.000 0.988 275 S CB -0.185 63.010 63.200 -0.007 0.000 0.896 275 S HN 0.070 nan 8.310 nan 0.000 0.502 276 L N 1.900 122.969 121.223 -0.256 0.000 2.156 276 L HA -0.058 4.272 4.340 -0.017 0.000 0.208 276 L C 2.716 179.378 176.870 -0.346 0.000 1.095 276 L CA 0.936 55.483 54.840 -0.487 0.000 0.770 276 L CB -1.101 40.265 42.059 -1.155 0.000 0.914 276 L HN 0.648 nan 8.230 nan 0.000 0.439 277 S N 0.609 116.197 115.700 -0.187 0.000 2.930 277 S HA -0.474 3.986 4.470 -0.017 0.000 0.391 277 S C 1.374 176.135 174.600 0.268 0.000 1.497 277 S CA 3.186 61.423 58.200 0.063 0.000 1.219 277 S CB -1.095 62.133 63.200 0.047 0.000 1.284 277 S HN 0.746 nan 8.310 nan 0.000 0.464 278 S N -1.910 113.939 115.700 0.249 0.000 2.026 278 S HA -0.048 4.412 4.470 -0.017 0.000 0.121 278 S C 1.323 176.026 174.600 0.171 0.000 0.593 278 S CA 1.029 59.392 58.200 0.271 0.000 1.663 278 S CB -1.462 61.846 63.200 0.179 0.000 0.929 278 S HN 1.674 nan 8.310 nan 0.000 0.407 279 V N 2.550 122.535 119.914 0.117 0.000 2.265 279 V HA -0.054 4.056 4.120 -0.017 0.000 0.247 279 V C 1.404 177.544 176.094 0.077 0.000 1.024 279 V CA 2.049 64.397 62.300 0.080 0.000 1.038 279 V CB -2.061 29.796 31.823 0.058 0.000 0.675 279 V HN 0.808 nan 8.190 nan 0.000 0.485 280 T N -1.337 113.261 114.554 0.074 0.000 2.604 280 T HA 0.392 4.732 4.350 -0.017 0.000 0.267 280 T C -0.514 174.242 174.700 0.093 0.000 0.923 280 T CA -0.744 61.388 62.100 0.054 0.000 1.077 280 T CB 0.431 69.307 68.868 0.013 0.000 1.392 280 T HN 0.427 nan 8.240 nan 0.000 0.531 281 N N 1.393 120.116 118.700 0.039 0.000 2.492 281 N HA 0.427 5.157 4.740 -0.017 0.000 0.262 281 N C -0.064 175.526 175.510 0.134 0.000 1.202 281 N CA -0.123 52.995 53.050 0.113 0.000 0.926 281 N CB 0.359 38.738 38.487 -0.179 0.000 1.078 281 N HN 0.817 nan 8.380 nan 0.000 0.454 282 A N 1.840 124.771 122.820 0.186 0.000 2.445 282 A HA 0.249 4.559 4.320 -0.017 0.000 0.242 282 A C 0.248 177.895 177.584 0.105 0.000 1.075 282 A CA 0.021 52.118 52.037 0.101 0.000 0.777 282 A CB 0.029 19.059 19.000 0.050 0.000 1.013 282 A HN 0.554 nan 8.150 nan 0.000 0.493 283 T N 2.505 117.119 114.554 0.099 0.000 2.744 283 T HA 0.399 4.739 4.350 -0.017 0.000 0.291 283 T C 0.146 174.938 174.700 0.154 0.000 0.957 283 T CA 0.078 62.249 62.100 0.118 0.000 1.002 283 T CB 0.668 69.608 68.868 0.120 0.000 0.919 283 T HN 0.521 nan 8.240 nan 0.000 0.468 284 S N 3.612 119.407 115.700 0.159 0.000 2.457 284 S HA 0.458 4.918 4.470 -0.017 0.000 0.289 284 S C 0.041 174.820 174.600 0.298 0.000 1.163 284 S CA -0.775 57.552 58.200 0.212 0.000 1.078 284 S CB 0.283 63.559 63.200 0.126 0.000 0.987 284 S HN 0.463 nan 8.310 nan 0.000 0.482 285 I N 3.608 124.358 120.570 0.300 0.000 2.315 285 I HA 0.269 4.430 4.170 -0.017 0.000 0.291 285 I C 0.577 176.801 176.117 0.178 0.000 1.006 285 I CA -0.276 61.198 61.300 0.289 0.000 1.265 285 I CB 1.047 39.291 38.000 0.406 0.000 1.387 285 I HN 0.663 nan 8.210 nan 0.000 0.475 286 Q N 6.196 126.051 119.800 0.091 0.000 2.293 286 Q HA 0.492 4.822 4.340 -0.017 0.000 0.251 286 Q C -1.106 174.805 176.000 -0.148 0.000 0.930 286 Q CA -0.387 55.244 55.803 -0.287 0.000 0.893 286 Q CB 1.365 29.850 28.738 -0.422 0.000 1.215 286 Q HN 0.552 nan 8.270 nan 0.000 0.425 287 I N 4.005 124.469 120.570 -0.176 0.000 2.382 287 I HA 0.214 4.374 4.170 -0.017 0.000 0.285 287 I C 0.546 176.626 176.117 -0.062 0.000 1.007 287 I CA -0.464 60.812 61.300 -0.040 0.000 1.142 287 I CB 1.565 39.578 38.000 0.020 0.000 1.289 287 I HN 0.796 nan 8.210 nan 0.000 0.453 288 T N 3.163 117.650 114.554 -0.112 0.000 2.990 288 T HA 0.800 5.140 4.350 -0.017 0.000 0.296 288 T C 0.930 175.408 174.700 -0.369 0.000 1.189 288 T CA 0.268 62.245 62.100 -0.205 0.000 0.938 288 T CB 0.980 69.737 68.868 -0.184 0.000 1.994 288 T HN 0.836 nan 8.240 nan 0.000 0.584 289 A N 0.993 123.536 122.820 -0.462 0.000 5.896 289 A HA -0.066 4.244 4.320 -0.017 0.000 0.309 289 A C -2.261 174.722 177.584 -1.002 0.000 1.873 289 A CA 0.449 52.140 52.037 -0.577 0.000 0.760 289 A CB -2.898 15.895 19.000 -0.346 0.000 1.279 289 A HN 0.883 nan 8.150 nan 0.000 0.399 290 P HA 0.378 nan 4.420 nan 0.000 0.269 290 P C 0.895 177.977 177.300 -0.364 0.000 1.215 290 P CA 0.747 63.599 63.100 -0.413 0.000 0.780 290 P CB 0.443 31.976 31.700 -0.279 0.000 0.898 291 A N 2.272 124.951 122.820 -0.235 0.000 1.978 291 A HA -0.195 4.115 4.320 -0.017 0.000 0.220 291 A C 2.012 179.488 177.584 -0.181 0.000 1.170 291 A CA 2.283 54.203 52.037 -0.193 0.000 0.636 291 A CB -1.728 17.194 19.000 -0.131 0.000 0.810 291 A HN 0.618 nan 8.150 nan 0.000 0.448 292 S N -2.285 113.327 115.700 -0.147 0.000 2.555 292 S HA 0.009 4.469 4.470 -0.017 0.000 0.230 292 S C 1.515 176.028 174.600 -0.145 0.000 0.978 292 S CA 1.486 59.619 58.200 -0.113 0.000 0.934 292 S CB -0.136 63.058 63.200 -0.009 0.000 0.766 292 S HN 0.351 nan 8.310 nan 0.000 0.533 293 M N 0.896 120.347 119.600 -0.249 0.000 2.657 293 M HA 0.496 4.966 4.480 -0.017 0.000 0.262 293 M C 1.548 177.562 176.300 -0.477 0.000 1.213 293 M CA 0.787 55.876 55.300 -0.353 0.000 1.182 293 M CB -0.442 31.833 32.600 -0.541 0.000 1.303 293 M HN 0.235 nan 8.290 nan 0.000 0.501 294 L N 0.609 121.552 121.223 -0.467 0.000 2.353 294 L HA -0.117 4.213 4.340 -0.017 0.000 0.220 294 L C 2.090 178.882 176.870 -0.131 0.000 1.133 294 L CA 0.724 55.376 54.840 -0.312 0.000 0.798 294 L CB -1.018 40.885 42.059 -0.260 0.000 0.922 294 L HN 0.405 nan 8.230 nan 0.000 0.445 295 I N -2.488 118.006 120.570 -0.127 0.000 2.567 295 I HA 0.049 4.209 4.170 -0.017 0.000 0.257 295 I C 1.061 177.152 176.117 -0.042 0.000 1.184 295 I CA 0.938 62.190 61.300 -0.081 0.000 1.451 295 I CB -0.358 37.585 38.000 -0.095 0.000 1.089 295 I HN 0.103 nan 8.210 nan 0.000 0.441 296 G N -0.004 108.790 108.800 -0.010 0.000 2.731 296 G HA2 0.268 4.218 3.960 -0.017 0.000 0.309 296 G HA3 0.268 4.218 3.960 -0.017 0.000 0.309 296 G C -1.817 173.139 174.900 0.094 0.000 1.273 296 G CA -0.544 44.567 45.100 0.018 0.000 0.798 296 G HN 0.067 nan 8.290 nan 0.000 0.509 297 D N 1.180 121.582 120.400 0.004 0.000 2.414 297 D HA 0.456 5.086 4.640 -0.017 0.000 0.242 297 D C 0.315 176.557 176.300 -0.097 0.000 1.129 297 D CA 0.621 54.564 54.000 -0.095 0.000 0.885 297 D CB 0.557 41.261 40.800 -0.161 0.000 1.198 297 D HN 0.542 nan 8.370 nan 0.000 0.437 298 H N -0.995 117.934 119.070 -0.235 0.000 2.933 298 H HA 0.455 5.002 4.556 -0.016 0.000 0.310 298 H C -1.397 173.798 175.328 -0.222 0.000 1.351 298 H CA -0.794 55.121 56.048 -0.222 0.000 1.137 298 H CB 0.357 30.124 29.762 0.008 0.000 1.853 298 H HN 0.297 nan 8.280 nan 0.000 0.539 299 Y N -0.040 120.488 120.300 0.380 0.000 2.553 299 Y HA 0.389 4.929 4.550 -0.017 0.000 0.347 299 Y C -0.420 175.758 175.900 0.462 0.000 1.019 299 Y CA -1.140 57.184 58.100 0.373 0.000 1.032 299 Y CB 1.967 40.486 38.460 0.098 0.000 1.284 299 Y HN 0.498 nan 8.280 nan 0.000 0.466 300 L N 3.192 124.769 121.223 0.590 0.000 2.281 300 L HA 0.419 4.749 4.340 -0.017 0.000 0.285 300 L C 0.401 177.308 176.870 0.061 0.000 1.074 300 L CA -0.291 54.514 54.840 -0.058 0.000 0.817 300 L CB 0.367 42.353 42.059 -0.121 0.000 1.168 300 L HN 0.954 nan 8.230 nan 0.000 0.434 301 C N 1.514 120.712 119.300 -0.170 0.000 3.336 301 C HA 0.564 5.014 4.460 -0.017 0.000 0.291 301 C C 0.013 174.883 174.990 -0.201 0.000 1.363 301 C CA -0.453 58.433 59.018 -0.220 0.000 1.737 301 C CB -1.011 26.646 27.740 -0.138 0.000 2.274 301 C HN 0.869 nan 8.230 nan 0.000 0.663 302 D N 0.059 120.362 120.400 -0.161 0.000 2.738 302 D HA 0.318 4.948 4.640 -0.017 0.000 0.229 302 D C -1.828 174.230 176.300 -0.404 0.000 1.200 302 D CA 0.132 54.063 54.000 -0.115 0.000 0.746 302 D CB 2.321 43.028 40.800 -0.155 0.000 1.597 302 D HN 0.427 nan 8.370 nan 0.000 0.471 303 V N 1.452 121.071 119.914 -0.492 0.000 2.623 303 V HA 0.801 4.911 4.120 -0.017 0.000 0.304 303 V C -1.589 174.175 176.094 -0.549 0.000 1.054 303 V CA 0.048 61.849 62.300 -0.831 0.000 0.882 303 V CB 1.879 32.810 31.823 -1.486 0.000 1.002 303 V HN 0.586 nan 8.190 nan 0.000 0.424 304 T N 6.531 120.829 114.554 -0.427 0.000 3.031 304 T HA 0.405 4.745 4.350 -0.017 0.000 0.305 304 T C -0.913 173.692 174.700 -0.157 0.000 0.985 304 T CA -0.146 61.860 62.100 -0.157 0.000 1.008 304 T CB 0.750 69.585 68.868 -0.055 0.000 1.005 304 T HN 0.780 nan 8.240 nan 0.000 0.444 305 W N 1.974 123.260 121.300 -0.023 0.000 2.181 305 W HA 0.453 5.103 4.660 -0.017 0.000 0.335 305 W C 1.142 177.605 176.519 -0.094 0.000 1.310 305 W CA -0.155 57.170 57.345 -0.033 0.000 1.226 305 W CB 0.558 30.064 29.460 0.077 0.000 1.155 305 W HN 0.809 nan 8.180 nan 0.000 0.565 306 A N 1.522 124.313 122.820 -0.049 0.000 1.984 306 A HA 0.272 4.582 4.320 -0.017 0.000 0.203 306 A C 0.663 178.220 177.584 -0.045 0.000 1.292 306 A CA 1.326 53.108 52.037 -0.425 0.000 0.782 306 A CB -0.216 17.965 19.000 -1.365 0.000 0.924 306 A HN 0.520 nan 8.150 nan 0.000 0.475 307 T N -5.466 109.157 114.554 0.115 0.000 2.671 307 T HA 0.331 4.671 4.350 -0.017 0.000 0.300 307 T C 0.039 174.907 174.700 0.281 0.000 1.238 307 T CA -0.400 61.802 62.100 0.171 0.000 1.020 307 T CB 0.697 69.642 68.868 0.129 0.000 1.503 307 T HN -0.069 nan 8.240 nan 0.000 0.497 308 Q N 0.406 120.337 119.800 0.219 0.000 2.248 308 Q HA -0.086 4.244 4.340 -0.017 0.000 0.208 308 Q C 0.973 177.224 176.000 0.418 0.000 0.984 308 Q CA 1.735 57.680 55.803 0.237 0.000 0.875 308 Q CB -0.213 28.632 28.738 0.179 0.000 0.910 308 Q HN 0.847 nan 8.270 nan 0.000 0.433 309 E N -0.582 119.862 120.200 0.407 0.000 2.714 309 E HA 0.197 4.537 4.350 -0.017 0.000 0.219 309 E C -0.088 176.789 176.600 0.461 0.000 0.979 309 E CA -0.192 56.469 56.400 0.435 0.000 1.092 309 E CB 1.084 30.944 29.700 0.266 0.000 1.049 309 E HN -0.029 nan 8.360 nan 0.000 0.487 310 R N 1.650 122.410 120.500 0.432 0.000 2.439 310 R HA 0.521 4.851 4.340 -0.017 0.000 0.310 310 R C -1.443 174.884 176.300 0.045 0.000 0.955 310 R CA -0.467 55.761 56.100 0.214 0.000 0.853 310 R CB 1.427 31.732 30.300 0.008 0.000 1.171 310 R HN 0.061 nan 8.270 nan 0.000 0.449 311 I N 2.595 123.038 120.570 -0.211 0.000 2.569 311 I HA 0.363 4.523 4.170 -0.017 0.000 0.296 311 I C -0.591 175.227 176.117 -0.498 0.000 1.028 311 I CA -0.366 60.521 61.300 -0.689 0.000 1.082 311 I CB 2.038 39.207 38.000 -1.384 0.000 1.264 311 I HN 0.712 nan 8.210 nan 0.000 0.429 312 S N 7.238 122.648 115.700 -0.483 0.000 2.537 312 S HA 0.825 5.285 4.470 -0.017 0.000 0.301 312 S C -1.123 173.185 174.600 -0.487 0.000 1.092 312 S CA -0.673 57.324 58.200 -0.338 0.000 1.048 312 S CB 1.951 65.080 63.200 -0.119 0.000 1.053 312 S HN 0.426 nan 8.310 nan 0.000 0.501 313 L N 1.628 122.583 121.223 -0.447 0.000 2.431 313 L HA 0.531 4.861 4.340 -0.017 0.000 0.266 313 L C -0.439 176.143 176.870 -0.481 0.000 0.978 313 L CA -0.190 54.273 54.840 -0.627 0.000 0.822 313 L CB 2.098 43.698 42.059 -0.765 0.000 1.310 313 L HN 0.840 nan 8.230 nan 0.000 0.409 314 Q N 1.639 121.113 119.800 -0.544 0.000 2.316 314 Q HA 0.516 4.846 4.340 -0.017 0.000 0.264 314 Q C -1.659 174.072 176.000 -0.448 0.000 0.987 314 Q CA -0.456 55.142 55.803 -0.342 0.000 0.852 314 Q CB 2.071 30.673 28.738 -0.227 0.000 1.287 314 Q HN 0.502 nan 8.270 nan 0.000 0.448 315 W N 2.589 123.858 121.300 -0.051 0.000 2.666 315 W HA 0.573 5.223 4.660 -0.017 0.000 0.334 315 W C -0.942 175.624 176.519 0.078 0.000 1.051 315 W CA -0.650 56.713 57.345 0.030 0.000 1.224 315 W CB 1.090 30.547 29.460 -0.005 0.000 1.405 315 W HN 0.363 nan 8.180 nan 0.000 0.513 316 L N 3.396 124.854 121.223 0.391 0.000 2.381 316 L HA 0.555 4.885 4.340 -0.017 0.000 0.274 316 L C 0.082 177.139 176.870 0.312 0.000 0.988 316 L CA -1.110 53.923 54.840 0.321 0.000 0.824 316 L CB 1.130 43.367 42.059 0.297 0.000 1.263 316 L HN 0.394 nan 8.230 nan 0.000 0.410 317 R N 2.464 123.112 120.500 0.247 0.000 2.738 317 R HA 0.175 4.505 4.340 -0.017 0.000 0.268 317 R C 1.041 177.366 176.300 0.040 0.000 1.062 317 R CA -0.101 56.080 56.100 0.135 0.000 1.158 317 R CB 0.534 30.903 30.300 0.115 0.000 1.046 317 R HN 0.643 nan 8.270 nan 0.000 0.493 318 R N 1.197 121.627 120.500 -0.116 0.000 2.120 318 R HA -0.055 4.275 4.340 -0.017 0.000 0.234 318 R C 0.367 176.693 176.300 0.043 0.000 1.123 318 R CA 1.081 57.086 56.100 -0.159 0.000 0.975 318 R CB 0.202 30.383 30.300 -0.199 0.000 0.866 318 R HN 0.369 nan 8.270 nan 0.000 0.446 319 I N 2.670 123.262 120.570 0.037 0.000 2.322 319 I HA 0.014 4.174 4.170 -0.017 0.000 0.292 319 I C 0.229 176.404 176.117 0.097 0.000 1.060 319 I CA 0.338 61.671 61.300 0.056 0.000 1.309 319 I CB 1.253 39.273 38.000 0.033 0.000 1.415 319 I HN 0.267 nan 8.210 nan 0.000 0.492 320 Q N 4.598 124.460 119.800 0.103 0.000 2.292 320 Q HA -0.017 4.313 4.340 -0.017 0.000 0.235 320 Q C 0.614 176.697 176.000 0.138 0.000 0.910 320 Q CA 0.019 55.900 55.803 0.130 0.000 0.952 320 Q CB -0.211 28.578 28.738 0.084 0.000 1.089 320 Q HN 0.606 nan 8.270 nan 0.000 0.431 321 N N -0.772 118.008 118.700 0.133 0.000 2.205 321 N HA -0.046 4.684 4.740 -0.017 0.000 0.201 321 N C -0.906 174.704 175.510 0.166 0.000 1.128 321 N CA -0.100 53.015 53.050 0.107 0.000 0.867 321 N CB 0.317 38.843 38.487 0.064 0.000 0.996 321 N HN 0.185 nan 8.380 nan 0.000 0.503 322 Y N 1.216 121.541 120.300 0.042 0.000 2.354 322 Y HA 0.555 5.094 4.550 -0.017 0.000 0.330 322 Y C -1.032 174.906 175.900 0.064 0.000 1.011 322 Y CA -1.124 57.001 58.100 0.042 0.000 1.099 322 Y CB 1.535 40.011 38.460 0.027 0.000 1.179 322 Y HN 0.124 nan 8.280 nan 0.000 0.442 323 S N 4.548 120.157 115.700 -0.152 0.000 2.599 323 S HA 0.933 5.393 4.470 -0.017 0.000 0.287 323 S C -2.070 172.450 174.600 -0.133 0.000 1.105 323 S CA -0.646 57.539 58.200 -0.026 0.000 0.899 323 S CB 1.890 65.096 63.200 0.010 0.000 1.100 323 S HN 0.488 nan 8.310 nan 0.000 0.482 324 V N 2.878 122.813 119.914 0.035 0.000 2.760 324 V HA 0.563 4.673 4.120 -0.017 0.000 0.309 324 V C -0.641 175.506 176.094 0.088 0.000 1.077 324 V CA -0.662 61.660 62.300 0.036 0.000 0.910 324 V CB 1.948 33.825 31.823 0.090 0.000 1.008 324 V HN 1.033 nan 8.190 nan 0.000 0.424 325 M N 3.629 123.253 119.600 0.040 0.000 2.149 325 M HA 0.548 5.018 4.480 -0.017 0.000 0.342 325 M C -1.394 174.937 176.300 0.050 0.000 1.068 325 M CA -0.309 54.992 55.300 0.001 0.000 0.991 325 M CB 1.156 33.701 32.600 -0.091 0.000 1.596 325 M HN 0.610 nan 8.290 nan 0.000 0.439 326 D N 4.900 125.324 120.400 0.040 0.000 2.198 326 D HA 0.553 5.183 4.640 -0.017 0.000 0.247 326 D C -1.025 175.264 176.300 -0.018 0.000 1.010 326 D CA -0.018 54.003 54.000 0.035 0.000 0.880 326 D CB 1.882 42.722 40.800 0.067 0.000 1.209 326 D HN 0.606 nan 8.370 nan 0.000 0.451 327 I N 2.239 122.818 120.570 0.015 0.000 2.448 327 I HA 0.253 4.413 4.170 -0.017 0.000 0.281 327 I C -0.702 175.422 176.117 0.011 0.000 1.027 327 I CA -0.591 60.711 61.300 0.003 0.000 1.111 327 I CB 1.212 39.269 38.000 0.096 0.000 1.236 327 I HN 0.181 nan 8.210 nan 0.000 0.452 328 c N 3.642 122.239 118.600 -0.005 0.000 2.351 328 c HA 0.541 5.101 4.570 -0.017 0.000 0.326 328 c C -0.139 174.090 174.090 0.231 0.000 1.272 328 c CA -0.768 55.624 56.329 0.105 0.000 1.650 328 c CB 0.646 43.227 42.510 0.119 0.000 2.257 328 c HN 0.595 nan 8.230 nan 0.000 0.505 329 D N 0.340 120.845 120.400 0.174 0.000 2.185 329 D HA 0.335 4.965 4.640 -0.017 0.000 0.247 329 D C -0.597 175.603 176.300 -0.166 0.000 1.027 329 D CA -0.223 53.824 54.000 0.079 0.000 0.861 329 D CB 0.713 41.517 40.800 0.006 0.000 1.202 329 D HN 0.576 nan 8.370 nan 0.000 0.453 330 Y N 1.859 121.744 120.300 -0.691 0.000 2.465 330 Y HA 0.155 4.695 4.550 -0.017 0.000 0.331 330 Y C -0.121 175.452 175.900 -0.544 0.000 1.102 330 Y CA -0.202 57.160 58.100 -1.230 0.000 1.358 330 Y CB 0.595 38.276 38.460 -1.298 0.000 1.213 330 Y HN 0.218 nan 8.280 nan 0.000 0.525 331 D N 5.763 125.554 120.400 -1.015 0.000 2.467 331 D HA 0.054 4.684 4.640 -0.017 0.000 0.220 331 D C 0.829 176.540 176.300 -0.980 0.000 1.103 331 D CA -0.037 53.538 54.000 -0.709 0.000 0.886 331 D CB 0.682 41.234 40.800 -0.413 0.000 1.025 331 D HN 0.917 nan 8.370 nan 0.000 0.514 332 E N 1.917 121.637 120.200 -0.801 0.000 2.130 332 E HA -0.214 4.126 4.350 -0.017 0.000 0.196 332 E C 1.419 177.856 176.600 -0.271 0.000 0.998 332 E CA 1.142 57.227 56.400 -0.526 0.000 0.806 332 E CB 0.309 29.897 29.700 -0.187 0.000 0.738 332 E HN 0.343 nan 8.360 nan 0.000 0.459 333 S N -1.141 114.427 115.700 -0.220 0.000 2.395 333 S HA -0.043 4.417 4.470 -0.017 0.000 0.225 333 S C 2.049 176.581 174.600 -0.113 0.000 1.027 333 S CA 1.264 59.391 58.200 -0.123 0.000 0.965 333 S CB -0.138 63.004 63.200 -0.096 0.000 0.812 333 S HN 0.227 nan 8.310 nan 0.000 0.482 334 S N -0.712 114.891 115.700 -0.163 0.000 2.388 334 S HA 0.278 4.738 4.470 -0.017 0.000 0.223 334 S C 1.535 176.082 174.600 -0.088 0.000 1.034 334 S CA 1.360 59.491 58.200 -0.116 0.000 0.963 334 S CB -0.444 62.676 63.200 -0.133 0.000 0.827 334 S HN 1.077 nan 8.310 nan 0.000 0.481 335 G N 1.360 110.054 108.800 -0.176 0.000 2.258 335 G HA2 -0.231 3.719 3.960 -0.017 0.000 0.233 335 G HA3 -0.231 3.719 3.960 -0.017 0.000 0.233 335 G C 0.302 175.249 174.900 0.078 0.000 1.006 335 G CA 0.275 45.375 45.100 0.000 0.000 0.620 335 G HN 0.638 nan 8.290 nan 0.000 0.511 336 R N -0.438 120.041 120.500 -0.035 0.000 2.517 336 R HA 0.637 4.967 4.340 -0.017 0.000 0.250 336 R C -0.735 175.515 176.300 -0.084 0.000 1.213 336 R CA -0.638 55.509 56.100 0.077 0.000 1.146 336 R CB 0.326 30.676 30.300 0.082 0.000 1.279 336 R HN 0.251 nan 8.270 nan 0.000 0.597 337 W N -0.094 121.235 121.300 0.049 0.000 2.600 337 W HA 0.423 5.073 4.660 -0.016 0.000 0.325 337 W C -0.735 175.774 176.519 -0.017 0.000 1.034 337 W CA -0.488 56.873 57.345 0.027 0.000 1.226 337 W CB 1.428 30.899 29.460 0.019 0.000 1.379 337 W HN 0.549 nan 8.180 nan 0.000 0.466 338 N N 1.878 120.647 118.700 0.115 0.000 2.321 338 N HA 0.547 5.277 4.740 -0.017 0.000 0.299 338 N C -1.489 174.059 175.510 0.064 0.000 1.048 338 N CA -0.662 52.422 53.050 0.058 0.000 0.836 338 N CB 1.303 39.786 38.487 -0.007 0.000 1.269 338 N HN 0.189 nan 8.380 nan 0.000 0.486 339 c N 2.839 121.463 118.600 0.039 0.000 2.206 339 c HA 0.338 4.898 4.570 -0.017 0.000 0.324 339 c C 0.451 174.543 174.090 0.004 0.000 1.120 339 c CA -1.031 55.312 56.329 0.025 0.000 1.546 339 c CB -1.354 41.162 42.510 0.010 0.000 2.023 339 c HN 0.611 nan 8.230 nan 0.000 0.448 340 L N 2.832 124.059 121.223 0.007 0.000 2.562 340 L HA 0.013 4.343 4.340 -0.017 0.000 0.271 340 L C 1.679 178.540 176.870 -0.014 0.000 1.167 340 L CA 0.275 55.112 54.840 -0.005 0.000 0.917 340 L CB 0.677 42.736 42.059 0.001 0.000 1.187 340 L HN 0.672 nan 8.230 nan 0.000 0.482 341 V N 4.765 124.663 119.914 -0.027 0.000 2.546 341 V HA -0.324 3.786 4.120 -0.017 0.000 0.254 341 V C 2.255 178.318 176.094 -0.052 0.000 1.076 341 V CA 2.276 64.553 62.300 -0.040 0.000 1.087 341 V CB -0.077 31.721 31.823 -0.040 0.000 0.674 341 V HN 0.996 nan 8.190 nan 0.000 0.470 342 A N -0.560 122.235 122.820 -0.042 0.000 2.067 342 A HA -0.123 4.187 4.320 -0.017 0.000 0.219 342 A C 2.275 179.817 177.584 -0.069 0.000 1.158 342 A CA 1.538 53.544 52.037 -0.052 0.000 0.661 342 A CB -0.465 18.518 19.000 -0.028 0.000 0.801 342 A HN 0.587 nan 8.150 nan 0.000 0.452 343 R N -0.873 119.606 120.500 -0.035 0.000 2.334 343 R HA 0.134 4.464 4.340 -0.017 0.000 0.216 343 R C 0.622 176.910 176.300 -0.021 0.000 0.905 343 R CA -0.118 55.994 56.100 0.019 0.000 1.064 343 R CB 0.098 30.451 30.300 0.088 0.000 1.046 343 R HN 0.639 nan 8.270 nan 0.000 0.508 344 Q N 0.548 120.282 119.800 -0.110 0.000 2.304 344 Q HA 0.052 4.382 4.340 -0.017 0.000 0.260 344 Q C -1.205 174.650 176.000 -0.242 0.000 0.965 344 Q CA 0.136 55.888 55.803 -0.084 0.000 0.898 344 Q CB 0.607 29.309 28.738 -0.060 0.000 1.196 344 Q HN 0.223 nan 8.270 nan 0.000 0.402 345 H N 2.763 121.838 119.070 0.008 0.000 2.529 345 H HA 0.430 4.976 4.556 -0.017 0.000 0.348 345 H C -0.888 174.417 175.328 -0.037 0.000 1.079 345 H CA -0.504 55.552 56.048 0.014 0.000 1.198 345 H CB 1.246 31.019 29.762 0.017 0.000 1.521 345 H HN 0.543 nan 8.280 nan 0.000 0.514 346 I N 1.925 122.520 120.570 0.042 0.000 2.385 346 I HA 0.225 4.385 4.170 -0.017 0.000 0.294 346 I C -0.021 176.046 176.117 -0.082 0.000 0.988 346 I CA -0.162 61.074 61.300 -0.108 0.000 1.265 346 I CB 1.249 39.140 38.000 -0.182 0.000 1.388 346 I HN 0.560 nan 8.210 nan 0.000 0.480 347 E N 7.982 128.082 120.200 -0.168 0.000 2.241 347 E HA 0.619 4.959 4.350 -0.017 0.000 0.263 347 E C -1.285 175.213 176.600 -0.170 0.000 0.882 347 E CA -0.697 55.649 56.400 -0.089 0.000 0.769 347 E CB 1.460 31.141 29.700 -0.031 0.000 1.185 347 E HN 0.610 nan 8.360 nan 0.000 0.415 348 M N 1.204 120.737 119.600 -0.112 0.000 2.716 348 M HA 0.644 5.114 4.480 -0.017 0.000 0.278 348 M C -1.110 175.176 176.300 -0.023 0.000 1.281 348 M CA -0.917 54.335 55.300 -0.079 0.000 0.814 348 M CB 2.262 34.824 32.600 -0.064 0.000 1.719 348 M HN 0.209 nan 8.290 nan 0.000 0.457 349 S N -0.850 114.842 115.700 -0.012 0.000 2.541 349 S HA 0.650 5.110 4.470 -0.017 0.000 0.280 349 S C 0.039 174.614 174.600 -0.042 0.000 1.112 349 S CA 0.099 58.272 58.200 -0.045 0.000 0.925 349 S CB 1.864 64.995 63.200 -0.116 0.000 1.067 349 S HN 0.993 nan 8.310 nan 0.000 0.479 350 T N -0.519 114.007 114.554 -0.047 0.000 3.001 350 T HA 0.105 4.445 4.350 -0.017 0.000 0.251 350 T C 1.445 176.103 174.700 -0.070 0.000 1.040 350 T CA 0.808 62.886 62.100 -0.037 0.000 0.985 350 T CB -0.363 68.498 68.868 -0.013 0.000 1.011 350 T HN 0.686 nan 8.240 nan 0.000 0.509 351 T N -1.811 112.677 114.554 -0.110 0.000 3.037 351 T HA 0.600 4.940 4.350 -0.017 0.000 0.252 351 T C 1.192 175.666 174.700 -0.376 0.000 1.073 351 T CA 0.465 62.489 62.100 -0.128 0.000 1.091 351 T CB 0.307 69.183 68.868 0.014 0.000 0.935 351 T HN 0.648 nan 8.240 nan 0.000 0.488 352 G N 0.370 108.798 108.800 -0.620 0.000 2.619 352 G HA2 0.452 4.402 3.960 -0.017 0.000 0.146 352 G HA3 0.452 4.402 3.960 -0.017 0.000 0.146 352 G C -1.619 172.977 174.900 -0.506 0.000 1.192 352 G CA -0.519 44.047 45.100 -0.889 0.000 1.063 352 G HN 0.487 nan 8.290 nan 0.000 0.538 353 W N 0.198 121.238 121.300 -0.434 0.000 2.225 353 W HA 0.731 5.381 4.660 -0.016 0.000 0.377 353 W C -0.277 176.182 176.519 -0.100 0.000 1.418 353 W CA -1.235 55.986 57.345 -0.207 0.000 1.562 353 W CB 0.494 29.819 29.460 -0.226 0.000 1.297 353 W HN 0.284 nan 8.180 nan 0.000 0.686 354 V N 2.763 122.749 119.914 0.120 0.000 2.407 354 V HA 0.755 4.865 4.120 -0.017 0.000 0.278 354 V C 0.710 176.884 176.094 0.134 0.000 1.037 354 V CA 0.032 62.365 62.300 0.055 0.000 0.900 354 V CB -0.069 31.788 31.823 0.056 0.000 0.983 354 V HN 1.361 nan 8.190 nan 0.000 0.459 355 G N 4.681 113.519 108.800 0.063 0.000 2.781 355 G HA2 -0.174 3.776 3.960 -0.017 0.000 0.683 355 G HA3 -0.174 3.776 3.960 -0.017 0.000 0.683 355 G C 0.264 175.259 174.900 0.159 0.000 1.390 355 G CA 0.117 45.280 45.100 0.105 0.000 0.850 355 G HN 0.656 nan 8.290 nan 0.000 0.557 356 R N -0.573 120.007 120.500 0.133 0.000 2.062 356 R HA 0.087 4.417 4.340 -0.017 0.000 0.231 356 R C 1.877 178.146 176.300 -0.053 0.000 1.136 356 R CA 2.212 58.345 56.100 0.055 0.000 0.948 356 R CB -0.097 30.254 30.300 0.084 0.000 0.845 356 R HN 0.486 nan 8.270 nan 0.000 0.430 357 F N -1.005 119.072 119.950 0.212 0.000 2.831 357 F HA 0.264 4.781 4.527 -0.017 0.000 0.334 357 F C 0.253 176.071 175.800 0.030 0.000 1.071 357 F CA -0.462 57.607 58.000 0.114 0.000 1.172 357 F CB 0.794 39.857 39.000 0.106 0.000 1.054 357 F HN -0.098 nan 8.300 nan 0.000 0.572 358 R N -1.588 119.045 120.500 0.222 0.000 2.774 358 R HA 0.388 4.718 4.340 -0.017 0.000 0.279 358 R C -3.370 172.989 176.300 0.098 0.000 1.022 358 R CA -1.869 54.290 56.100 0.098 0.000 0.855 358 R CB 0.002 30.307 30.300 0.008 0.000 1.279 358 R HN -0.368 nan 8.270 nan 0.000 0.485 359 P HA 0.005 nan 4.420 nan 0.000 0.266 359 P C -0.234 177.084 177.300 0.031 0.000 1.195 359 P CA -0.017 63.102 63.100 0.033 0.000 0.768 359 P CB 0.844 32.538 31.700 -0.008 0.000 0.838 360 S N 1.564 117.292 115.700 0.047 0.000 2.596 360 S HA 0.107 4.567 4.470 -0.017 0.000 0.260 360 S C 0.057 174.661 174.600 0.006 0.000 1.336 360 S CA -0.579 57.659 58.200 0.064 0.000 0.993 360 S CB 0.410 63.669 63.200 0.098 0.000 0.923 360 S HN 0.583 nan 8.310 nan 0.000 0.567 361 E N 1.340 121.555 120.200 0.025 0.000 2.231 361 E HA 0.394 4.734 4.350 -0.017 0.000 0.277 361 E C -2.729 173.799 176.600 -0.120 0.000 0.999 361 E CA -2.364 53.993 56.400 -0.071 0.000 0.827 361 E CB 1.330 30.994 29.700 -0.061 0.000 1.101 361 E HN 0.499 nan 8.360 nan 0.000 0.393 362 P HA 0.149 nan 4.420 nan 0.000 0.277 362 P C -0.885 176.199 177.300 -0.359 0.000 1.240 362 P CA -0.142 62.707 63.100 -0.419 0.000 0.798 362 P CB 0.735 31.810 31.700 -1.042 0.000 0.979 363 H N 2.161 121.182 119.070 -0.082 0.000 2.762 363 H HA 0.286 4.832 4.556 -0.017 0.000 0.310 363 H C -0.245 175.179 175.328 0.159 0.000 1.004 363 H CA -0.346 55.764 56.048 0.104 0.000 1.267 363 H CB 0.239 30.099 29.762 0.163 0.000 1.437 363 H HN 0.320 nan 8.280 nan 0.000 0.498 364 F N 1.847 121.970 119.950 0.287 0.000 2.389 364 F HA 0.065 4.582 4.527 -0.017 0.000 0.337 364 F C 1.615 177.603 175.800 0.312 0.000 1.112 364 F CA -0.402 57.784 58.000 0.310 0.000 1.192 364 F CB 0.959 40.082 39.000 0.204 0.000 1.185 364 F HN 0.356 nan 8.300 nan 0.000 0.552 365 T N 0.734 115.599 114.554 0.518 0.000 2.828 365 T HA 0.090 4.430 4.350 -0.017 0.000 0.290 365 T C 1.287 176.174 174.700 0.311 0.000 1.019 365 T CA -0.925 61.407 62.100 0.388 0.000 1.031 365 T CB 0.764 69.851 68.868 0.365 0.000 1.001 365 T HN 0.454 nan 8.240 nan 0.000 0.531 366 L N 1.624 122.986 121.223 0.231 0.000 2.030 366 L HA -0.170 4.160 4.340 -0.017 0.000 0.222 366 L C 2.267 179.240 176.870 0.171 0.000 1.082 366 L CA 2.501 57.450 54.840 0.182 0.000 0.785 366 L CB -1.519 40.624 42.059 0.141 0.000 0.895 366 L HN 0.995 nan 8.230 nan 0.000 0.439 367 D N -1.917 118.585 120.400 0.170 0.000 2.355 367 D HA 0.012 4.642 4.640 -0.017 0.000 0.218 367 D C 1.522 177.914 176.300 0.153 0.000 1.004 367 D CA 0.885 54.972 54.000 0.146 0.000 0.880 367 D CB -0.364 40.513 40.800 0.128 0.000 0.911 367 D HN 0.431 nan 8.370 nan 0.000 0.528 368 G N 0.910 109.837 108.800 0.211 0.000 2.153 368 G HA2 -0.365 3.585 3.960 -0.017 0.000 0.252 368 G HA3 -0.365 3.585 3.960 -0.017 0.000 0.252 368 G C 0.572 175.636 174.900 0.273 0.000 0.994 368 G CA 0.465 45.684 45.100 0.198 0.000 0.698 368 G HN 0.479 nan 8.290 nan 0.000 0.521 369 N N -0.091 118.770 118.700 0.270 0.000 2.280 369 N HA 0.368 5.098 4.740 -0.017 0.000 0.192 369 N C 0.630 176.280 175.510 0.232 0.000 1.109 369 N CA 0.668 53.854 53.050 0.227 0.000 0.855 369 N CB 0.615 39.186 38.487 0.140 0.000 0.974 369 N HN 0.709 nan 8.380 nan 0.000 0.482 370 S N -0.356 115.533 115.700 0.315 0.000 2.596 370 S HA 0.764 5.224 4.470 -0.017 0.000 0.270 370 S C -1.280 173.457 174.600 0.230 0.000 1.155 370 S CA -1.079 57.190 58.200 0.114 0.000 0.827 370 S CB 1.463 64.679 63.200 0.026 0.000 1.130 370 S HN 0.151 nan 8.310 nan 0.000 0.467 371 F N -2.101 117.773 119.950 -0.126 0.000 2.741 371 F HA 0.796 5.314 4.527 -0.017 0.000 0.311 371 F C -2.315 173.342 175.800 -0.238 0.000 1.149 371 F CA -1.544 56.299 58.000 -0.262 0.000 0.930 371 F CB 0.463 38.893 39.000 -0.950 0.000 1.312 371 F HN 0.608 nan 8.300 nan 0.000 0.450 372 Y N 1.163 121.632 120.300 0.282 0.000 2.409 372 Y HA 0.721 5.261 4.550 -0.017 0.000 0.339 372 Y C -0.221 175.841 175.900 0.270 0.000 1.033 372 Y CA -0.875 57.364 58.100 0.233 0.000 1.094 372 Y CB 2.223 40.749 38.460 0.110 0.000 1.210 372 Y HN 0.731 nan 8.280 nan 0.000 0.456 373 K N 2.725 123.350 120.400 0.375 0.000 2.525 373 K HA 0.546 4.856 4.320 -0.017 0.000 0.254 373 K C -1.663 175.073 176.600 0.226 0.000 0.934 373 K CA -0.549 55.902 56.287 0.274 0.000 0.802 373 K CB 1.612 34.229 32.500 0.196 0.000 1.295 373 K HN 0.689 nan 8.250 nan 0.000 0.433 374 I N 6.319 126.993 120.570 0.174 0.000 2.416 374 I HA 0.278 4.438 4.170 -0.017 0.000 0.288 374 I C 0.156 176.363 176.117 0.148 0.000 1.051 374 I CA -0.296 61.090 61.300 0.142 0.000 1.375 374 I CB 0.349 38.410 38.000 0.102 0.000 1.407 374 I HN 0.504 nan 8.210 nan 0.000 0.516 375 I N 1.935 122.622 120.570 0.195 0.000 3.095 375 I HA 0.481 4.641 4.170 -0.017 0.000 0.310 375 I C -0.306 175.926 176.117 0.191 0.000 1.196 375 I CA -0.789 60.623 61.300 0.188 0.000 0.985 375 I CB 2.139 40.277 38.000 0.230 0.000 1.250 375 I HN 0.325 nan 8.210 nan 0.000 0.446 376 S N 2.416 118.174 115.700 0.097 0.000 2.549 376 S HA 0.228 4.688 4.470 -0.017 0.000 0.283 376 S C 0.191 174.811 174.600 0.033 0.000 1.320 376 S CA -0.204 57.999 58.200 0.007 0.000 1.058 376 S CB -0.164 62.997 63.200 -0.065 0.000 0.882 376 S HN 0.671 nan 8.310 nan 0.000 0.498 377 N N 2.062 120.678 118.700 -0.140 0.000 2.288 377 N HA 0.068 4.798 4.740 -0.017 0.000 0.237 377 N C 1.003 176.415 175.510 -0.163 0.000 1.311 377 N CA -0.100 52.739 53.050 -0.351 0.000 0.909 377 N CB 0.322 38.629 38.487 -0.301 0.000 1.167 377 N HN 0.723 nan 8.380 nan 0.000 0.476 378 E N 0.094 120.188 120.200 -0.177 0.000 2.216 378 E HA -0.027 4.313 4.350 -0.017 0.000 0.192 378 E C 0.668 177.222 176.600 -0.077 0.000 0.988 378 E CA 0.907 57.259 56.400 -0.080 0.000 0.834 378 E CB 0.127 29.791 29.700 -0.060 0.000 0.772 378 E HN 0.441 nan 8.360 nan 0.000 0.479 379 E N -0.947 119.201 120.200 -0.087 0.000 2.489 379 E HA 0.042 4.382 4.350 -0.017 0.000 0.193 379 E C 0.578 177.178 176.600 0.000 0.000 1.057 379 E CA 0.572 56.969 56.400 -0.004 0.000 0.866 379 E CB 0.361 30.080 29.700 0.032 0.000 0.916 379 E HN 0.360 nan 8.360 nan 0.000 0.500 380 G N 0.743 109.480 108.800 -0.105 0.000 2.157 380 G HA2 -0.273 3.677 3.960 -0.017 0.000 0.239 380 G HA3 -0.273 3.677 3.960 -0.017 0.000 0.239 380 G C -0.246 174.384 174.900 -0.450 0.000 0.982 380 G CA 0.191 45.130 45.100 -0.268 0.000 0.650 380 G HN 0.194 nan 8.290 nan 0.000 0.527 381 Y N 0.395 120.568 120.300 -0.212 0.000 2.330 381 Y HA 0.653 5.193 4.550 -0.016 0.000 0.336 381 Y C 1.122 176.843 175.900 -0.299 0.000 1.036 381 Y CA -0.957 56.998 58.100 -0.241 0.000 1.125 381 Y CB 1.020 39.359 38.460 -0.201 0.000 1.194 381 Y HN 0.086 nan 8.280 nan 0.000 0.469 382 R N 3.741 124.085 120.500 -0.259 0.000 2.370 382 R HA 0.222 4.552 4.340 -0.017 0.000 0.309 382 R C -0.665 175.322 176.300 -0.522 0.000 1.059 382 R CA 0.169 56.125 56.100 -0.241 0.000 0.981 382 R CB 0.021 30.235 30.300 -0.144 0.000 0.972 382 R HN 0.660 nan 8.270 nan 0.000 0.437 383 H N 1.723 120.753 119.070 -0.066 0.000 2.941 383 H HA 0.344 4.890 4.556 -0.016 0.000 0.344 383 H C -0.189 175.196 175.328 0.095 0.000 1.235 383 H CA -0.929 55.063 56.048 -0.094 0.000 1.149 383 H CB 1.527 31.141 29.762 -0.248 0.000 1.885 383 H HN 0.318 nan 8.280 nan 0.000 0.558 384 I N 2.306 122.961 120.570 0.142 0.000 2.352 384 I HA 0.091 4.251 4.170 -0.017 0.000 0.290 384 I C 0.624 176.795 176.117 0.091 0.000 1.036 384 I CA -0.212 61.143 61.300 0.091 0.000 1.336 384 I CB 0.177 38.141 38.000 -0.060 0.000 1.407 384 I HN 0.382 nan 8.210 nan 0.000 0.497 385 c N 6.025 124.634 118.600 0.015 0.000 2.507 385 c HA 0.509 5.069 4.570 -0.017 0.000 0.319 385 c C -0.396 173.600 174.090 -0.157 0.000 1.208 385 c CA -0.976 55.178 56.329 -0.291 0.000 1.619 385 c CB 1.168 43.037 42.510 -1.069 0.000 2.230 385 c HN 0.707 nan 8.230 nan 0.000 0.492 386 Y N 3.088 123.109 120.300 -0.465 0.000 2.336 386 Y HA 0.670 5.210 4.550 -0.017 0.000 0.335 386 Y C -1.051 174.442 175.900 -0.678 0.000 1.046 386 Y CA -1.059 56.693 58.100 -0.581 0.000 1.198 386 Y CB 0.208 38.409 38.460 -0.433 0.000 1.182 386 Y HN 0.728 nan 8.280 nan 0.000 0.502 387 F N 3.334 122.692 119.950 -0.987 0.000 2.538 387 F HA 0.454 4.971 4.527 -0.017 0.000 0.325 387 F C -0.282 174.860 175.800 -1.096 0.000 1.066 387 F CA -0.991 56.325 58.000 -1.140 0.000 0.946 387 F CB 1.676 39.608 39.000 -1.780 0.000 1.199 387 F HN 0.268 nan 8.300 nan 0.000 0.473 388 Q N 2.074 121.577 119.800 -0.495 0.000 2.271 388 Q HA 0.368 4.698 4.340 -0.017 0.000 0.258 388 Q C 1.102 177.080 176.000 -0.036 0.000 0.936 388 Q CA -0.257 55.370 55.803 -0.294 0.000 0.909 388 Q CB 1.391 29.996 28.738 -0.221 0.000 1.253 388 Q HN 0.686 nan 8.270 nan 0.000 0.440 389 I N -0.467 120.168 120.570 0.109 0.000 2.399 389 I HA -0.199 3.961 4.170 -0.017 0.000 0.254 389 I C 0.520 176.840 176.117 0.338 0.000 1.146 389 I CA 1.734 63.254 61.300 0.367 0.000 1.412 389 I CB -0.038 38.185 38.000 0.372 0.000 1.076 389 I HN 0.491 nan 8.210 nan 0.000 0.432 390 D N 0.978 121.474 120.400 0.159 0.000 2.501 390 D HA 0.129 4.759 4.640 -0.017 0.000 0.224 390 D C 0.274 176.588 176.300 0.024 0.000 1.202 390 D CA -0.297 53.745 54.000 0.069 0.000 0.829 390 D CB 0.123 40.947 40.800 0.040 0.000 1.023 390 D HN 0.394 nan 8.370 nan 0.000 0.499 391 K N 0.928 121.362 120.400 0.057 0.000 2.394 391 K HA 0.213 4.523 4.320 -0.017 0.000 0.260 391 K C 0.995 177.632 176.600 0.061 0.000 0.967 391 K CA -0.665 55.622 56.287 -0.000 0.000 0.855 391 K CB 1.460 33.916 32.500 -0.073 0.000 1.101 391 K HN -0.408 nan 8.250 nan 0.000 0.433 392 K N 1.310 121.709 120.400 -0.002 0.000 2.032 392 K HA -0.074 4.236 4.320 -0.017 0.000 0.209 392 K C -0.142 176.474 176.600 0.027 0.000 1.048 392 K CA 1.378 57.678 56.287 0.022 0.000 0.927 392 K CB -0.012 32.468 32.500 -0.033 0.000 0.712 392 K HN 0.698 nan 8.250 nan 0.000 0.441 393 D N 0.690 121.038 120.400 -0.086 0.000 2.264 393 D HA 0.058 4.688 4.640 -0.017 0.000 0.250 393 D C 0.270 176.334 176.300 -0.394 0.000 1.113 393 D CA -0.123 53.762 54.000 -0.192 0.000 0.871 393 D CB 1.235 41.947 40.800 -0.147 0.000 1.167 393 D HN 0.204 nan 8.370 nan 0.000 0.447 394 c N 0.887 119.094 118.600 -0.655 0.000 2.354 394 c HA 0.796 5.356 4.570 -0.017 0.000 0.381 394 c C 0.193 173.882 174.090 -0.667 0.000 1.240 394 c CA -0.475 55.264 56.329 -0.983 0.000 2.089 394 c CB 1.127 42.470 42.510 -1.945 0.000 2.234 394 c HN 0.490 nan 8.230 nan 0.000 0.544 395 T N 1.691 115.890 114.554 -0.592 0.000 2.840 395 T HA 0.487 4.827 4.350 -0.017 0.000 0.287 395 T C -0.750 173.716 174.700 -0.390 0.000 0.991 395 T CA 0.133 62.029 62.100 -0.341 0.000 0.964 395 T CB 0.462 69.284 68.868 -0.078 0.000 0.954 395 T HN 0.491 nan 8.240 nan 0.000 0.438 396 F N 3.000 122.848 119.950 -0.169 0.000 2.471 396 F HA 0.273 4.789 4.527 -0.017 0.000 0.353 396 F C 1.661 177.293 175.800 -0.281 0.000 1.113 396 F CA -0.774 57.107 58.000 -0.198 0.000 1.262 396 F CB 0.480 39.363 39.000 -0.195 0.000 1.146 396 F HN 0.585 nan 8.300 nan 0.000 0.578 397 I N -1.143 119.286 120.570 -0.235 0.000 4.181 397 I HA 0.247 4.407 4.170 -0.017 0.000 0.331 397 I C 0.158 176.088 176.117 -0.311 0.000 1.312 397 I CA 0.067 60.992 61.300 -0.626 0.000 1.146 397 I CB 0.269 37.587 38.000 -1.136 0.000 1.074 397 I HN 0.493 nan 8.210 nan 0.000 0.402 398 T N 0.407 114.846 114.554 -0.192 0.000 2.906 398 T HA 0.786 5.126 4.350 -0.017 0.000 0.295 398 T C -0.679 173.659 174.700 -0.603 0.000 1.061 398 T CA -0.565 61.413 62.100 -0.204 0.000 1.000 398 T CB 2.641 71.452 68.868 -0.095 0.000 1.103 398 T HN 0.380 nan 8.240 nan 0.000 0.486 399 K N 0.076 119.982 120.400 -0.823 0.000 2.548 399 K HA 0.944 5.254 4.320 -0.017 0.000 0.282 399 K C -0.133 175.832 176.600 -1.059 0.000 1.006 399 K CA -0.289 55.269 56.287 -1.215 0.000 0.892 399 K CB 1.027 33.175 32.500 -0.586 0.000 1.499 399 K HN 1.649 nan 8.250 nan 0.000 0.433 400 G N -0.493 107.745 108.800 -0.936 0.000 2.357 400 G HA2 0.165 4.115 3.960 -0.017 0.000 0.643 400 G HA3 0.165 4.115 3.960 -0.017 0.000 0.643 400 G C -0.908 173.469 174.900 -0.872 0.000 1.358 400 G CA -0.421 44.282 45.100 -0.662 0.000 0.986 400 G HN 1.333 nan 8.290 nan 0.000 0.620 401 T N -0.247 113.945 114.554 -0.603 0.000 3.945 401 T HA 0.585 4.925 4.350 -0.017 0.000 0.306 401 T C 0.236 174.794 174.700 -0.237 0.000 1.475 401 T CA 0.542 62.076 62.100 -0.942 0.000 1.177 401 T CB -0.850 67.679 68.868 -0.566 0.000 1.272 401 T HN 1.583 nan 8.240 nan 0.000 0.930 402 W N -0.015 121.186 121.300 -0.165 0.000 2.881 402 W HA 0.618 5.268 4.660 -0.017 0.000 0.380 402 W C -1.543 174.996 176.519 0.034 0.000 1.170 402 W CA -0.989 56.370 57.345 0.024 0.000 1.171 402 W CB 0.623 30.076 29.460 -0.012 0.000 1.464 402 W HN 0.266 nan 8.180 nan 0.000 0.574 403 E N 0.651 121.074 120.200 0.372 0.000 2.367 403 E HA 0.442 4.783 4.350 -0.017 0.000 0.273 403 E C -1.291 175.432 176.600 0.206 0.000 0.903 403 E CA -1.170 55.230 56.400 -0.000 0.000 0.764 403 E CB 3.316 33.019 29.700 0.005 0.000 1.252 403 E HN 0.160 nan 8.360 nan 0.000 0.446 404 V N 3.617 123.511 119.914 -0.034 0.000 2.455 404 V HA 0.003 4.113 4.120 -0.017 0.000 0.273 404 V C 1.316 177.484 176.094 0.124 0.000 1.045 404 V CA -0.015 62.347 62.300 0.104 0.000 0.976 404 V CB 0.442 32.210 31.823 -0.092 0.000 0.993 404 V HN 0.702 nan 8.190 nan 0.000 0.475 405 I N 3.361 124.037 120.570 0.176 0.000 2.233 405 I HA 0.162 4.322 4.170 -0.017 0.000 0.243 405 I C 1.146 177.367 176.117 0.173 0.000 1.093 405 I CA 1.401 62.798 61.300 0.162 0.000 1.380 405 I CB -0.769 37.272 38.000 0.068 0.000 1.067 405 I HN 0.757 nan 8.210 nan 0.000 0.413 406 G N 0.374 109.275 108.800 0.170 0.000 2.667 406 G HA2 0.519 4.469 3.960 -0.017 0.000 0.294 406 G HA3 0.519 4.469 3.960 -0.017 0.000 0.294 406 G C -1.209 173.773 174.900 0.136 0.000 1.467 406 G CA -0.589 44.608 45.100 0.162 0.000 0.852 406 G HN -0.028 nan 8.290 nan 0.000 0.521 407 I N 1.728 122.326 120.570 0.047 0.000 2.352 407 I HA 0.203 4.363 4.170 -0.017 0.000 0.290 407 I C 0.828 176.861 176.117 -0.140 0.000 1.036 407 I CA -0.494 60.725 61.300 -0.136 0.000 1.336 407 I CB 1.592 39.289 38.000 -0.506 0.000 1.407 407 I HN 0.494 nan 8.210 nan 0.000 0.497 408 E N 5.054 125.237 120.200 -0.028 0.000 2.166 408 E HA 0.281 4.621 4.350 -0.017 0.000 0.192 408 E C 0.197 176.723 176.600 -0.124 0.000 0.967 408 E CA 0.309 56.732 56.400 0.039 0.000 0.840 408 E CB 0.524 30.338 29.700 0.191 0.000 0.795 408 E HN 0.671 nan 8.360 nan 0.000 0.470 409 A N 0.593 123.237 122.820 -0.293 0.000 2.577 409 A HA 0.573 4.883 4.320 -0.017 0.000 0.297 409 A C -1.627 175.846 177.584 -0.185 0.000 1.060 409 A CA -0.587 51.204 52.037 -0.410 0.000 0.697 409 A CB 1.121 19.376 19.000 -1.241 0.000 1.281 409 A HN 0.093 nan 8.150 nan 0.000 0.402 410 L N 2.839 124.008 121.223 -0.090 0.000 2.356 410 L HA 0.750 5.080 4.340 -0.017 0.000 0.277 410 L C 0.240 177.124 176.870 0.023 0.000 0.996 410 L CA -0.190 54.631 54.840 -0.031 0.000 0.822 410 L CB 2.086 44.170 42.059 0.042 0.000 1.256 410 L HN 1.114 nan 8.230 nan 0.000 0.413 411 T N -1.027 113.554 114.554 0.046 0.000 2.841 411 T HA 0.274 4.614 4.350 -0.017 0.000 0.276 411 T C 1.079 175.813 174.700 0.058 0.000 1.003 411 T CA 0.051 62.195 62.100 0.074 0.000 0.995 411 T CB 1.518 70.466 68.868 0.132 0.000 1.260 411 T HN 0.560 nan 8.240 nan 0.000 0.581 412 S N -0.725 115.011 115.700 0.060 0.000 2.489 412 S HA -0.035 4.425 4.470 -0.017 0.000 0.228 412 S C 0.983 175.569 174.600 -0.024 0.000 0.995 412 S CA 0.619 58.844 58.200 0.042 0.000 0.934 412 S CB -0.481 62.750 63.200 0.051 0.000 0.771 412 S HN 0.666 nan 8.310 nan 0.000 0.522 413 D N 0.138 120.515 120.400 -0.039 0.000 2.232 413 D HA 0.206 4.836 4.640 -0.017 0.000 0.220 413 D C -0.223 175.803 176.300 -0.456 0.000 0.982 413 D CA 0.960 54.825 54.000 -0.225 0.000 0.892 413 D CB 0.104 40.883 40.800 -0.035 0.000 1.040 413 D HN 0.410 nan 8.370 nan 0.000 0.463 414 Y N -0.470 119.761 120.300 -0.114 0.000 2.598 414 Y HA 0.515 5.055 4.550 -0.017 0.000 0.340 414 Y C -0.325 175.390 175.900 -0.309 0.000 1.038 414 Y CA -0.990 56.955 58.100 -0.258 0.000 1.100 414 Y CB 2.184 40.379 38.460 -0.441 0.000 1.281 414 Y HN -0.221 nan 8.280 nan 0.000 0.488 415 L N 2.058 123.152 121.223 -0.214 0.000 2.356 415 L HA 0.572 4.902 4.340 -0.017 0.000 0.277 415 L C -1.901 174.825 176.870 -0.241 0.000 0.996 415 L CA -0.569 54.122 54.840 -0.249 0.000 0.822 415 L CB 0.778 42.596 42.059 -0.402 0.000 1.256 415 L HN 0.580 nan 8.230 nan 0.000 0.413 416 Y N 4.992 125.197 120.300 -0.158 0.000 2.330 416 Y HA 0.536 5.076 4.550 -0.017 0.000 0.336 416 Y C -0.426 175.467 175.900 -0.011 0.000 1.036 416 Y CA -0.242 57.766 58.100 -0.153 0.000 1.125 416 Y CB 1.263 39.505 38.460 -0.364 0.000 1.194 416 Y HN 0.542 nan 8.280 nan 0.000 0.469 417 Y N 0.409 120.752 120.300 0.071 0.000 2.625 417 Y HA 0.794 5.334 4.550 -0.017 0.000 0.338 417 Y C -1.719 174.255 175.900 0.123 0.000 1.123 417 Y CA -1.940 56.198 58.100 0.064 0.000 1.046 417 Y CB 1.111 39.587 38.460 0.027 0.000 1.299 417 Y HN 0.421 nan 8.280 nan 0.000 0.464 418 I N 2.983 123.741 120.570 0.313 0.000 2.460 418 I HA 0.652 4.812 4.170 -0.017 0.000 0.298 418 I C -0.348 175.966 176.117 0.329 0.000 0.989 418 I CA -0.528 60.898 61.300 0.210 0.000 1.173 418 I CB 2.025 40.088 38.000 0.105 0.000 1.338 418 I HN 0.878 nan 8.210 nan 0.000 0.456 419 S N 3.214 119.068 115.700 0.256 0.000 2.596 419 S HA 0.355 4.815 4.470 -0.017 0.000 0.270 419 S C -0.686 173.977 174.600 0.106 0.000 1.155 419 S CA -0.906 57.434 58.200 0.233 0.000 0.827 419 S CB 1.674 65.048 63.200 0.289 0.000 1.130 419 S HN 0.652 nan 8.310 nan 0.000 0.467 420 N N 0.148 118.906 118.700 0.097 0.000 2.376 420 N HA 0.145 4.875 4.740 -0.017 0.000 0.249 420 N C 0.563 176.057 175.510 -0.025 0.000 1.140 420 N CA -0.189 52.875 53.050 0.024 0.000 0.870 420 N CB 0.304 38.794 38.487 0.006 0.000 1.124 420 N HN 0.830 nan 8.380 nan 0.000 0.505 421 E N -0.045 120.009 120.200 -0.243 0.000 2.047 421 E HA -0.203 4.137 4.350 -0.017 0.000 0.191 421 E C -0.287 176.167 176.600 -0.243 0.000 0.987 421 E CA 0.234 56.251 56.400 -0.640 0.000 0.799 421 E CB -0.123 28.593 29.700 -1.641 0.000 0.752 421 E HN 0.396 nan 8.360 nan 0.000 0.449 422 Y N 1.743 121.954 120.300 -0.148 0.000 2.881 422 Y HA -0.145 4.394 4.550 -0.017 0.000 0.335 422 Y C 0.476 176.336 175.900 -0.068 0.000 1.263 422 Y CA 1.000 59.057 58.100 -0.071 0.000 1.572 422 Y CB 0.171 38.614 38.460 -0.030 0.000 1.237 422 Y HN 0.131 nan 8.280 nan 0.000 0.568 423 K N 3.353 123.418 120.400 -0.558 0.000 3.349 423 K HA -0.223 4.087 4.320 -0.017 0.000 0.310 423 K C 0.786 177.288 176.600 -0.163 0.000 1.267 423 K CA 1.295 57.325 56.287 -0.428 0.000 0.920 423 K CB -1.588 30.634 32.500 -0.463 0.000 1.240 423 K HN 1.372 nan 8.250 nan 0.000 0.453 424 G N 0.147 108.871 108.800 -0.128 0.000 2.203 424 G HA2 -0.348 3.602 3.960 -0.017 0.000 0.263 424 G HA3 -0.348 3.602 3.960 -0.017 0.000 0.263 424 G C 0.016 174.872 174.900 -0.072 0.000 1.012 424 G CA 0.867 45.938 45.100 -0.048 0.000 0.749 424 G HN 0.431 nan 8.290 nan 0.000 0.512 425 M N -0.814 118.678 119.600 -0.180 0.000 2.061 425 M HA 0.417 4.887 4.480 -0.017 0.000 0.346 425 M C -1.366 174.679 176.300 -0.426 0.000 1.112 425 M CA -2.262 52.749 55.300 -0.482 0.000 1.021 425 M CB 1.818 34.135 32.600 -0.471 0.000 1.530 425 M HN -0.103 nan 8.290 nan 0.000 0.437 426 P HA -0.092 nan 4.420 nan 0.000 0.223 426 P C 1.031 178.205 177.300 -0.210 0.000 1.144 426 P CA 1.411 64.351 63.100 -0.267 0.000 0.783 426 P CB 0.013 31.572 31.700 -0.234 0.000 0.771 427 G N -0.768 107.843 108.800 -0.315 0.000 3.284 427 G HA2 0.334 4.284 3.960 -0.017 0.000 0.236 427 G HA3 0.334 4.284 3.960 -0.017 0.000 0.236 427 G C 0.621 175.542 174.900 0.033 0.000 1.158 427 G CA 0.063 45.106 45.100 -0.095 0.000 0.774 427 G HN 0.426 nan 8.290 nan 0.000 0.545 428 G N -0.232 108.535 108.800 -0.055 0.000 2.471 428 G HA2 0.657 4.607 3.960 -0.017 0.000 0.332 428 G HA3 0.657 4.607 3.960 -0.017 0.000 0.332 428 G C -0.947 173.850 174.900 -0.171 0.000 1.176 428 G CA -0.756 44.340 45.100 -0.008 0.000 0.949 428 G HN 0.059 nan 8.290 nan 0.000 0.488 429 R N 0.907 121.266 120.500 -0.236 0.000 2.533 429 R HA 0.417 4.747 4.340 -0.017 0.000 0.288 429 R C -1.252 175.005 176.300 -0.071 0.000 1.039 429 R CA -0.764 55.158 56.100 -0.297 0.000 0.909 429 R CB 1.933 31.789 30.300 -0.740 0.000 1.195 429 R HN 0.618 nan 8.270 nan 0.000 0.438 430 N N 1.772 120.457 118.700 -0.024 0.000 2.284 430 N HA 0.328 5.058 4.740 -0.017 0.000 0.289 430 N C -1.213 174.193 175.510 -0.174 0.000 1.179 430 N CA -0.822 52.142 53.050 -0.144 0.000 0.774 430 N CB 2.820 41.120 38.487 -0.313 0.000 1.548 430 N HN 0.235 nan 8.380 nan 0.000 0.473 431 L N 2.285 123.272 121.223 -0.393 0.000 2.276 431 L HA 0.463 4.793 4.340 -0.017 0.000 0.286 431 L C -1.401 175.134 176.870 -0.558 0.000 1.061 431 L CA 0.075 54.712 54.840 -0.338 0.000 0.807 431 L CB -0.122 41.734 42.059 -0.337 0.000 1.177 431 L HN 0.410 nan 8.230 nan 0.000 0.429 432 Y N 3.378 123.323 120.300 -0.592 0.000 2.602 432 Y HA 0.612 5.152 4.550 -0.017 0.000 0.342 432 Y C -0.477 175.049 175.900 -0.623 0.000 1.029 432 Y CA -0.856 56.828 58.100 -0.694 0.000 1.080 432 Y CB 1.692 39.484 38.460 -1.114 0.000 1.284 432 Y HN 0.569 nan 8.280 nan 0.000 0.485 433 K N 2.059 122.274 120.400 -0.308 0.000 2.443 433 K HA 0.722 5.032 4.320 -0.017 0.000 0.252 433 K C -1.973 174.570 176.600 -0.095 0.000 0.933 433 K CA -0.649 55.394 56.287 -0.407 0.000 0.792 433 K CB 2.284 34.319 32.500 -0.776 0.000 1.185 433 K HN 0.755 nan 8.250 nan 0.000 0.425 434 I N 2.271 122.860 120.570 0.031 0.000 2.404 434 I HA 0.188 4.348 4.170 -0.017 0.000 0.293 434 I C -0.642 175.558 176.117 0.139 0.000 0.992 434 I CA -0.703 60.687 61.300 0.149 0.000 1.149 434 I CB 1.897 40.011 38.000 0.190 0.000 1.315 434 I HN 0.836 nan 8.210 nan 0.000 0.446 435 Q N 5.235 125.109 119.800 0.124 0.000 2.286 435 Q HA 0.104 4.434 4.340 -0.017 0.000 0.267 435 Q C 0.293 176.229 176.000 -0.106 0.000 1.028 435 Q CA -0.500 55.200 55.803 -0.171 0.000 0.901 435 Q CB 1.166 29.827 28.738 -0.128 0.000 1.183 435 Q HN 0.743 nan 8.270 nan 0.000 0.392 436 L N 2.971 124.058 121.223 -0.228 0.000 2.191 436 L HA -0.159 4.171 4.340 -0.017 0.000 0.212 436 L C 2.176 178.970 176.870 -0.127 0.000 1.103 436 L CA 1.854 56.642 54.840 -0.087 0.000 0.769 436 L CB -0.894 41.076 42.059 -0.148 0.000 0.908 436 L HN 0.755 nan 8.230 nan 0.000 0.438 437 S N -2.591 112.986 115.700 -0.205 0.000 2.528 437 S HA 0.025 4.485 4.470 -0.017 0.000 0.219 437 S C 0.525 174.965 174.600 -0.266 0.000 0.985 437 S CA 0.101 58.171 58.200 -0.217 0.000 0.914 437 S CB 0.074 63.173 63.200 -0.167 0.000 0.776 437 S HN 0.383 nan 8.310 nan 0.000 0.526 438 D N -0.124 120.134 120.400 -0.237 0.000 2.319 438 D HA 0.244 4.874 4.640 -0.017 0.000 0.237 438 D C -0.349 175.920 176.300 -0.053 0.000 1.353 438 D CA -0.653 53.227 54.000 -0.201 0.000 0.992 438 D CB 0.179 40.915 40.800 -0.107 0.000 1.368 438 D HN -0.045 nan 8.370 nan 0.000 0.564 439 Y N 1.389 121.675 120.300 -0.023 0.000 2.556 439 Y HA -0.073 4.467 4.550 -0.016 0.000 0.290 439 Y C 2.282 178.194 175.900 0.020 0.000 1.149 439 Y CA 0.869 58.968 58.100 -0.002 0.000 1.329 439 Y CB -0.801 37.660 38.460 0.003 0.000 0.975 439 Y HN 0.344 nan 8.280 nan 0.000 0.561 440 T N -0.451 114.183 114.554 0.134 0.000 3.023 440 T HA -0.041 4.299 4.350 -0.017 0.000 0.266 440 T C 0.912 175.666 174.700 0.091 0.000 1.093 440 T CA 0.601 62.759 62.100 0.096 0.000 1.129 440 T CB -0.043 68.856 68.868 0.051 0.000 0.899 440 T HN 0.074 nan 8.240 nan 0.000 0.491 441 K N 2.729 123.183 120.400 0.091 0.000 2.222 441 K HA 0.379 4.689 4.320 -0.017 0.000 0.243 441 K C -0.723 175.950 176.600 0.122 0.000 1.160 441 K CA -0.101 56.241 56.287 0.091 0.000 1.090 441 K CB 0.563 33.113 32.500 0.083 0.000 1.694 441 K HN 0.116 nan 8.250 nan 0.000 0.361 442 V N 1.767 121.752 119.914 0.120 0.000 2.435 442 V HA 0.384 4.494 4.120 -0.017 0.000 0.290 442 V C -0.714 175.436 176.094 0.094 0.000 1.030 442 V CA -0.175 62.207 62.300 0.136 0.000 0.881 442 V CB 1.696 33.629 31.823 0.184 0.000 0.983 442 V HN 0.579 nan 8.190 nan 0.000 0.445 443 T N 6.088 120.662 114.554 0.034 0.000 2.807 443 T HA 0.296 4.636 4.350 -0.017 0.000 0.279 443 T C -0.505 174.098 174.700 -0.161 0.000 0.993 443 T CA -0.260 61.808 62.100 -0.052 0.000 0.970 443 T CB 1.054 69.857 68.868 -0.109 0.000 0.950 443 T HN 0.880 nan 8.240 nan 0.000 0.441 444 C N 5.240 124.375 119.300 -0.275 0.000 2.394 444 C HA 0.429 4.879 4.460 -0.017 0.000 0.362 444 C C 1.635 176.295 174.990 -0.550 0.000 1.268 444 C CA -0.582 58.003 59.018 -0.721 0.000 1.828 444 C CB -1.824 25.383 27.740 -0.888 0.000 2.442 444 C HN 0.994 nan 8.230 nan 0.000 0.549 445 L N 4.615 125.493 121.223 -0.574 0.000 2.477 445 L HA 0.074 4.405 4.340 -0.017 0.000 0.220 445 L C 2.216 178.780 176.870 -0.510 0.000 1.106 445 L CA 0.916 55.501 54.840 -0.424 0.000 0.851 445 L CB -0.223 41.637 42.059 -0.332 0.000 0.994 445 L HN 0.883 nan 8.230 nan 0.000 0.462 446 S N -2.820 112.458 115.700 -0.703 0.000 2.524 446 S HA -0.029 4.431 4.470 -0.017 0.000 0.222 446 S C 1.951 176.137 174.600 -0.689 0.000 1.040 446 S CA -0.026 57.630 58.200 -0.906 0.000 0.915 446 S CB -0.362 61.941 63.200 -1.495 0.000 0.831 446 S HN 0.298 nan 8.310 nan 0.000 0.492 447 C N 2.213 121.090 119.300 -0.705 0.000 2.349 447 C HA -0.096 4.354 4.460 -0.017 0.000 0.274 447 C C 2.546 177.239 174.990 -0.494 0.000 1.178 447 C CA 1.723 60.255 59.018 -0.809 0.000 1.769 447 C CB -1.153 25.945 27.740 -1.070 0.000 2.047 447 C HN 0.615 nan 8.230 nan 0.000 0.448 448 E N -0.089 119.909 120.200 -0.337 0.000 2.474 448 E HA 0.176 4.516 4.350 -0.017 0.000 0.195 448 E C 1.849 178.393 176.600 -0.094 0.000 1.039 448 E CA -0.063 56.240 56.400 -0.162 0.000 0.881 448 E CB -0.220 29.408 29.700 -0.120 0.000 0.970 448 E HN 0.564 nan 8.360 nan 0.000 0.486 449 L N 0.164 121.326 121.223 -0.102 0.000 1.989 449 L HA -0.114 4.217 4.340 -0.017 0.000 0.211 449 L C 1.040 177.919 176.870 0.015 0.000 1.071 449 L CA 0.996 55.820 54.840 -0.027 0.000 0.749 449 L CB -0.074 41.987 42.059 0.004 0.000 0.890 449 L HN 0.120 nan 8.230 nan 0.000 0.431 450 N N -1.377 117.350 118.700 0.045 0.000 2.785 450 N HA 0.099 4.829 4.740 -0.017 0.000 0.224 450 N C -2.063 173.472 175.510 0.042 0.000 1.448 450 N CA -0.980 52.090 53.050 0.034 0.000 0.748 450 N CB 0.804 39.306 38.487 0.026 0.000 1.385 450 N HN -0.153 nan 8.380 nan 0.000 0.538 451 P HA -0.173 nan 4.420 nan 0.000 0.217 451 P C 0.990 178.332 177.300 0.069 0.000 1.148 451 P CA 1.091 64.236 63.100 0.074 0.000 0.834 451 P CB 0.744 32.501 31.700 0.095 0.000 0.783 452 E N -0.268 119.956 120.200 0.040 0.000 2.046 452 E HA -0.135 4.205 4.350 -0.017 0.000 0.190 452 E C 2.258 178.863 176.600 0.007 0.000 0.982 452 E CA 0.815 57.231 56.400 0.027 0.000 0.800 452 E CB -0.140 29.568 29.700 0.013 0.000 0.756 452 E HN 0.225 nan 8.360 nan 0.000 0.449 453 R N -0.731 119.760 120.500 -0.015 0.000 2.223 453 R HA 0.077 4.407 4.340 -0.017 0.000 0.198 453 R C -0.117 176.132 176.300 -0.084 0.000 0.984 453 R CA 0.312 56.380 56.100 -0.053 0.000 1.018 453 R CB 0.403 30.661 30.300 -0.071 0.000 0.945 453 R HN 0.011 nan 8.270 nan 0.000 0.479 454 c N 0.840 119.400 118.600 -0.065 0.000 2.344 454 c HA 0.419 4.979 4.570 -0.017 0.000 0.326 454 c C 0.035 174.095 174.090 -0.050 0.000 1.201 454 c CA -0.641 55.586 56.329 -0.170 0.000 1.410 454 c CB 1.467 43.818 42.510 -0.264 0.000 2.070 454 c HN 0.517 nan 8.230 nan 0.000 0.445 455 Q N 0.461 120.230 119.800 -0.051 0.000 2.081 455 Q HA 0.205 4.535 4.340 -0.017 0.000 0.220 455 Q C -0.994 175.074 176.000 0.113 0.000 0.775 455 Q CA 0.100 55.956 55.803 0.089 0.000 0.983 455 Q CB 1.264 30.073 28.738 0.120 0.000 1.188 455 Q HN 0.791 nan 8.270 nan 0.000 0.458 456 Y N 0.472 120.671 120.300 -0.167 0.000 2.373 456 Y HA 0.387 4.927 4.550 -0.017 0.000 0.327 456 Y C -1.579 174.187 175.900 -0.224 0.000 1.036 456 Y CA -1.004 57.026 58.100 -0.118 0.000 1.265 456 Y CB 0.726 39.125 38.460 -0.101 0.000 1.108 456 Y HN -0.081 nan 8.280 nan 0.000 0.471 457 Y N 2.023 122.264 120.300 -0.098 0.000 2.549 457 Y HA 0.695 5.235 4.550 -0.017 0.000 0.339 457 Y C 0.165 176.016 175.900 -0.081 0.000 1.053 457 Y CA -0.662 57.392 58.100 -0.076 0.000 1.105 457 Y CB 2.285 40.669 38.460 -0.126 0.000 1.258 457 Y HN 0.487 nan 8.280 nan 0.000 0.478 458 S N 0.499 116.294 115.700 0.158 0.000 2.627 458 S HA 0.866 5.326 4.470 -0.017 0.000 0.283 458 S C -1.704 172.969 174.600 0.121 0.000 1.127 458 S CA -0.732 57.541 58.200 0.121 0.000 0.863 458 S CB 1.786 65.069 63.200 0.137 0.000 1.121 458 S HN 0.650 nan 8.310 nan 0.000 0.479 459 V N 0.272 120.255 119.914 0.115 0.000 3.130 459 V HA 0.917 5.027 4.120 -0.017 0.000 0.310 459 V C -1.237 174.934 176.094 0.129 0.000 1.158 459 V CA -0.234 62.108 62.300 0.070 0.000 1.029 459 V CB 2.322 34.123 31.823 -0.038 0.000 1.057 459 V HN 1.294 nan 8.190 nan 0.000 0.436 460 S N 3.216 118.976 115.700 0.099 0.000 2.775 460 S HA 0.613 5.073 4.470 -0.017 0.000 0.277 460 S C -1.226 173.512 174.600 0.229 0.000 1.156 460 S CA -0.416 57.938 58.200 0.257 0.000 1.081 460 S CB 0.335 63.737 63.200 0.336 0.000 1.054 460 S HN 0.490 nan 8.310 nan 0.000 0.482 461 F N 3.055 123.054 119.950 0.082 0.000 2.380 461 F HA 0.465 4.982 4.527 -0.017 0.000 0.325 461 F C 1.532 176.881 175.800 -0.753 0.000 1.136 461 F CA -0.085 57.789 58.000 -0.209 0.000 1.171 461 F CB 1.240 40.095 39.000 -0.242 0.000 1.230 461 F HN 0.656 nan 8.300 nan 0.000 0.554 462 S N 1.593 116.622 115.700 -1.118 0.000 2.641 462 S HA 0.191 4.651 4.470 -0.017 0.000 0.261 462 S C 1.189 175.509 174.600 -0.467 0.000 1.257 462 S CA -0.796 56.476 58.200 -1.547 0.000 0.983 462 S CB 0.705 63.079 63.200 -1.376 0.000 0.990 462 S HN 0.522 nan 8.310 nan 0.000 0.572 463 K N 0.980 121.253 120.400 -0.212 0.000 2.059 463 K HA -0.097 4.213 4.320 -0.017 0.000 0.212 463 K C 0.913 177.485 176.600 -0.048 0.000 1.050 463 K CA 1.565 57.825 56.287 -0.046 0.000 0.927 463 K CB -0.416 32.102 32.500 0.031 0.000 0.714 463 K HN 0.696 nan 8.250 nan 0.000 0.447 464 E N -0.703 119.444 120.200 -0.088 0.000 2.585 464 E HA 0.250 4.590 4.350 -0.017 0.000 0.206 464 E C -0.054 176.488 176.600 -0.097 0.000 1.007 464 E CA 0.015 56.380 56.400 -0.059 0.000 1.028 464 E CB 0.658 30.338 29.700 -0.034 0.000 1.087 464 E HN 0.223 nan 8.360 nan 0.000 0.455 465 A N 1.450 124.192 122.820 -0.130 0.000 2.826 465 A HA -0.332 3.978 4.320 -0.017 0.000 0.274 465 A C 1.510 179.040 177.584 -0.090 0.000 1.443 465 A CA 1.742 53.724 52.037 -0.092 0.000 0.833 465 A CB -2.030 16.802 19.000 -0.280 0.000 1.023 465 A HN 0.295 nan 8.150 nan 0.000 0.600 466 K N -1.601 118.677 120.400 -0.204 0.000 2.103 466 K HA 0.109 4.419 4.320 -0.017 0.000 0.204 466 K C 0.336 176.579 176.600 -0.595 0.000 1.052 466 K CA 1.680 57.731 56.287 -0.393 0.000 0.945 466 K CB -0.037 32.178 32.500 -0.474 0.000 0.722 466 K HN 0.708 nan 8.250 nan 0.000 0.443 467 Y N -1.331 118.858 120.300 -0.184 0.000 2.605 467 Y HA 0.366 4.906 4.550 -0.017 0.000 0.343 467 Y C -0.990 174.800 175.900 -0.183 0.000 1.036 467 Y CA -1.397 56.612 58.100 -0.151 0.000 1.065 467 Y CB 1.658 40.081 38.460 -0.061 0.000 1.288 467 Y HN -0.046 nan 8.280 nan 0.000 0.481 468 Y N -1.221 119.031 120.300 -0.079 0.000 2.544 468 Y HA 0.505 5.045 4.550 -0.017 0.000 0.342 468 Y C -1.276 174.612 175.900 -0.020 0.000 1.062 468 Y CA -1.584 56.301 58.100 -0.359 0.000 1.023 468 Y CB 1.494 39.149 38.460 -1.341 0.000 1.308 468 Y HN 0.585 nan 8.280 nan 0.000 0.457 469 Q N 3.809 123.699 119.800 0.150 0.000 2.347 469 Q HA 0.533 4.863 4.340 -0.017 0.000 0.262 469 Q C -1.773 174.288 176.000 0.102 0.000 0.980 469 Q CA -0.596 55.270 55.803 0.106 0.000 0.867 469 Q CB 1.188 29.965 28.738 0.065 0.000 1.242 469 Q HN 0.965 nan 8.270 nan 0.000 0.453 470 L N 4.340 125.635 121.223 0.119 0.000 2.334 470 L HA 0.516 4.846 4.340 -0.017 0.000 0.277 470 L C -0.148 176.794 176.870 0.120 0.000 1.075 470 L CA -0.480 54.436 54.840 0.126 0.000 0.804 470 L CB 1.116 43.229 42.059 0.090 0.000 1.174 470 L HN 0.618 nan 8.230 nan 0.000 0.438 471 R N 2.549 123.103 120.500 0.090 0.000 2.422 471 R HA 0.295 4.625 4.340 -0.017 0.000 0.307 471 R C -1.137 175.018 176.300 -0.242 0.000 1.004 471 R CA -0.553 55.430 56.100 -0.194 0.000 0.882 471 R CB 1.608 31.843 30.300 -0.109 0.000 1.164 471 R HN 0.581 nan 8.270 nan 0.000 0.489 472 c N 2.870 121.197 118.600 -0.454 0.000 2.347 472 c HA 0.373 4.933 4.570 -0.017 0.000 0.353 472 c C 1.430 175.277 174.090 -0.406 0.000 1.273 472 c CA -0.210 55.741 56.329 -0.630 0.000 1.861 472 c CB 0.068 42.141 42.510 -0.729 0.000 2.420 472 c HN 0.965 nan 8.230 nan 0.000 0.542 473 S N 3.736 119.289 115.700 -0.245 0.000 2.749 473 S HA 0.612 5.072 4.470 -0.017 0.000 0.246 473 S C 0.254 174.799 174.600 -0.091 0.000 1.023 473 S CA 0.218 58.334 58.200 -0.140 0.000 1.012 473 S CB -0.014 63.142 63.200 -0.074 0.000 0.942 473 S HN 1.881 nan 8.310 nan 0.000 0.531 474 G N 1.765 110.496 108.800 -0.114 0.000 2.325 474 G HA2 0.423 4.373 3.960 -0.017 0.000 0.297 474 G HA3 0.423 4.373 3.960 -0.017 0.000 0.297 474 G C -3.048 171.819 174.900 -0.055 0.000 1.448 474 G CA -0.606 44.468 45.100 -0.044 0.000 0.838 474 G HN -0.119 nan 8.290 nan 0.000 0.579 475 P HA 0.131 nan 4.420 nan 0.000 0.231 475 P C 1.272 178.586 177.300 0.023 0.000 1.168 475 P CA 1.219 64.341 63.100 0.036 0.000 0.779 475 P CB 0.460 32.184 31.700 0.040 0.000 0.844 476 G N 0.463 109.210 108.800 -0.089 0.000 2.535 476 G HA2 0.385 4.335 3.960 -0.017 0.000 0.282 476 G HA3 0.385 4.335 3.960 -0.017 0.000 0.282 476 G C -0.193 174.455 174.900 -0.420 0.000 1.350 476 G CA -0.729 44.241 45.100 -0.217 0.000 1.039 476 G HN 0.034 nan 8.290 nan 0.000 0.509 477 L N 1.025 121.916 121.223 -0.555 0.000 2.483 477 L HA 0.131 4.461 4.340 -0.017 0.000 0.276 477 L C -1.805 174.885 176.870 -0.300 0.000 1.213 477 L CA -1.198 53.284 54.840 -0.596 0.000 0.843 477 L CB 0.587 42.387 42.059 -0.432 0.000 1.107 477 L HN 0.246 nan 8.230 nan 0.000 0.487 478 P HA -0.001 nan 4.420 nan 0.000 0.264 478 P C -0.921 176.303 177.300 -0.127 0.000 1.183 478 P CA 0.093 63.101 63.100 -0.154 0.000 0.763 478 P CB 0.496 32.194 31.700 -0.003 0.000 0.807 479 L N 5.267 126.342 121.223 -0.247 0.000 2.441 479 L HA 0.453 4.784 4.340 -0.017 0.000 0.270 479 L C -1.829 174.899 176.870 -0.237 0.000 0.973 479 L CA -0.667 54.087 54.840 -0.144 0.000 0.842 479 L CB 0.794 42.779 42.059 -0.124 0.000 1.239 479 L HN 0.210 nan 8.230 nan 0.000 0.406 480 Y N 2.948 123.207 120.300 -0.067 0.000 2.331 480 Y HA 0.726 5.266 4.550 -0.017 0.000 0.338 480 Y C 0.609 176.408 175.900 -0.169 0.000 0.992 480 Y CA -0.328 57.714 58.100 -0.098 0.000 1.121 480 Y CB 1.966 40.348 38.460 -0.131 0.000 1.184 480 Y HN 0.686 nan 8.280 nan 0.000 0.469 481 T N 1.182 115.741 114.554 0.008 0.000 2.906 481 T HA 0.699 5.039 4.350 -0.017 0.000 0.295 481 T C -1.435 173.187 174.700 -0.130 0.000 1.061 481 T CA -0.901 61.145 62.100 -0.090 0.000 1.000 481 T CB 1.984 70.852 68.868 0.000 0.000 1.103 481 T HN 0.390 nan 8.240 nan 0.000 0.486 482 L N 1.676 122.706 121.223 -0.322 0.000 2.346 482 L HA 0.753 5.083 4.340 -0.017 0.000 0.276 482 L C -1.256 175.324 176.870 -0.484 0.000 1.006 482 L CA -0.234 54.459 54.840 -0.246 0.000 0.817 482 L CB 1.364 43.300 42.059 -0.205 0.000 1.272 482 L HN 0.906 nan 8.230 nan 0.000 0.421 483 H N 0.447 119.283 119.070 -0.390 0.000 2.946 483 H HA 0.740 5.286 4.556 -0.017 0.000 0.365 483 H C -0.884 174.224 175.328 -0.367 0.000 1.197 483 H CA -0.787 54.951 56.048 -0.517 0.000 1.131 483 H CB 1.901 31.016 29.762 -1.079 0.000 1.849 483 H HN 0.522 nan 8.280 nan 0.000 0.555 484 S N -0.186 115.459 115.700 -0.091 0.000 2.473 484 S HA 0.281 4.741 4.470 -0.017 0.000 0.307 484 S C 0.336 174.893 174.600 -0.073 0.000 1.094 484 S CA -0.773 57.358 58.200 -0.115 0.000 1.070 484 S CB 1.695 64.849 63.200 -0.076 0.000 1.019 484 S HN 0.572 nan 8.310 nan 0.000 0.480 485 S N 2.011 117.689 115.700 -0.036 0.000 2.399 485 S HA -0.124 4.336 4.470 -0.017 0.000 0.231 485 S C 1.905 176.532 174.600 0.045 0.000 1.022 485 S CA 1.011 59.292 58.200 0.135 0.000 0.983 485 S CB -0.465 62.801 63.200 0.110 0.000 0.803 485 S HN 0.687 nan 8.310 nan 0.000 0.480 486 V N 2.398 122.290 119.914 -0.038 0.000 2.324 486 V HA -0.255 3.855 4.120 -0.017 0.000 0.250 486 V C 1.408 177.500 176.094 -0.002 0.000 1.060 486 V CA 2.133 64.423 62.300 -0.017 0.000 1.042 486 V CB -0.404 31.397 31.823 -0.036 0.000 0.650 486 V HN 0.569 nan 8.190 nan 0.000 0.450 487 N N -2.152 116.547 118.700 -0.002 0.000 2.210 487 N HA 0.072 4.802 4.740 -0.017 0.000 0.203 487 N C -0.261 175.257 175.510 0.014 0.000 1.175 487 N CA 0.529 53.580 53.050 0.002 0.000 0.894 487 N CB 0.649 39.137 38.487 0.001 0.000 1.041 487 N HN 0.381 nan 8.380 nan 0.000 0.506 488 D N 1.496 121.926 120.400 0.050 0.000 2.981 488 D HA -0.144 4.486 4.640 -0.017 0.000 0.223 488 D C -0.261 176.085 176.300 0.077 0.000 1.151 488 D CA 1.126 55.191 54.000 0.109 0.000 0.827 488 D CB -1.191 39.656 40.800 0.077 0.000 1.101 488 D HN 0.540 nan 8.370 nan 0.000 0.426 489 K N -0.294 120.125 120.400 0.032 0.000 2.144 489 K HA 0.557 4.867 4.320 -0.017 0.000 0.270 489 K C 0.688 177.265 176.600 -0.038 0.000 1.005 489 K CA -0.320 55.972 56.287 0.010 0.000 0.932 489 K CB 1.226 33.719 32.500 -0.011 0.000 1.021 489 K HN -0.046 nan 8.250 nan 0.000 0.462 490 G N 3.028 111.769 108.800 -0.098 0.000 2.360 490 G HA2 0.201 4.151 3.960 -0.017 0.000 0.279 490 G HA3 0.201 4.151 3.960 -0.017 0.000 0.279 490 G C 0.376 175.114 174.900 -0.269 0.000 1.189 490 G CA -0.773 44.113 45.100 -0.358 0.000 0.941 490 G HN 0.678 nan 8.290 nan 0.000 0.445 491 L N 1.917 122.958 121.223 -0.305 0.000 2.068 491 L HA 0.233 4.563 4.340 -0.017 0.000 0.204 491 L C 1.688 178.458 176.870 -0.167 0.000 1.076 491 L CA 0.998 55.736 54.840 -0.169 0.000 0.753 491 L CB -0.273 41.715 42.059 -0.118 0.000 0.910 491 L HN 0.763 nan 8.230 nan 0.000 0.439 492 R N -2.351 118.009 120.500 -0.234 0.000 2.829 492 R HA 0.353 4.683 4.340 -0.017 0.000 0.283 492 R C -1.664 174.504 176.300 -0.220 0.000 1.013 492 R CA -0.930 55.059 56.100 -0.184 0.000 0.848 492 R CB 1.150 31.373 30.300 -0.129 0.000 1.291 492 R HN -0.286 nan 8.270 nan 0.000 0.496 493 V N 2.665 122.478 119.914 -0.169 0.000 2.461 493 V HA 0.185 4.295 4.120 -0.017 0.000 0.275 493 V C 1.344 177.305 176.094 -0.221 0.000 1.047 493 V CA -0.375 61.826 62.300 -0.164 0.000 0.955 493 V CB 1.137 32.900 31.823 -0.101 0.000 0.988 493 V HN 0.628 nan 8.190 nan 0.000 0.471 494 L N 2.634 123.659 121.223 -0.331 0.000 2.168 494 L HA 0.246 4.576 4.340 -0.017 0.000 0.203 494 L C 0.760 177.395 176.870 -0.392 0.000 1.078 494 L CA 0.819 55.278 54.840 -0.634 0.000 0.780 494 L CB 0.209 41.519 42.059 -1.248 0.000 0.939 494 L HN 0.701 nan 8.230 nan 0.000 0.451 495 E N -0.247 119.863 120.200 -0.150 0.000 2.343 495 E HA 0.084 4.424 4.350 -0.017 0.000 0.288 495 E C -1.114 175.543 176.600 0.096 0.000 0.907 495 E CA -0.392 56.025 56.400 0.028 0.000 0.792 495 E CB 1.090 30.843 29.700 0.088 0.000 1.275 495 E HN 0.147 nan 8.360 nan 0.000 0.402 496 D N 3.326 123.756 120.400 0.051 0.000 2.433 496 D HA 0.121 4.751 4.640 -0.017 0.000 0.211 496 D C -0.258 176.057 176.300 0.025 0.000 1.114 496 D CA -0.210 53.806 54.000 0.028 0.000 0.837 496 D CB -0.060 40.736 40.800 -0.006 0.000 0.984 496 D HN 0.454 nan 8.370 nan 0.000 0.505 497 N N 0.406 119.140 118.700 0.056 0.000 2.714 497 N HA -0.224 4.506 4.740 -0.017 0.000 0.250 497 N C 1.013 176.536 175.510 0.021 0.000 1.117 497 N CA 0.955 54.034 53.050 0.047 0.000 0.719 497 N CB -1.480 37.024 38.487 0.029 0.000 1.081 497 N HN 0.486 nan 8.380 nan 0.000 0.557 498 S N -1.184 114.528 115.700 0.020 0.000 2.400 498 S HA -0.086 4.374 4.470 -0.017 0.000 0.232 498 S C 2.093 176.710 174.600 0.029 0.000 1.025 498 S CA 1.111 59.319 58.200 0.013 0.000 0.993 498 S CB -0.171 63.036 63.200 0.013 0.000 0.808 498 S HN 0.522 nan 8.310 nan 0.000 0.478 499 A N 2.228 125.075 122.820 0.044 0.000 1.858 499 A HA 0.032 4.342 4.320 -0.017 0.000 0.216 499 A C 2.248 179.877 177.584 0.075 0.000 1.190 499 A CA 1.677 53.749 52.037 0.059 0.000 0.617 499 A CB -1.004 18.035 19.000 0.066 0.000 0.827 499 A HN 0.544 nan 8.150 nan 0.000 0.443 500 L N 0.393 121.664 121.223 0.080 0.000 2.083 500 L HA -0.162 4.168 4.340 -0.017 0.000 0.209 500 L C 1.901 178.808 176.870 0.062 0.000 1.083 500 L CA 2.850 57.753 54.840 0.106 0.000 0.752 500 L CB -0.777 41.346 42.059 0.106 0.000 0.899 500 L HN 0.510 nan 8.230 nan 0.000 0.433 501 D N -0.898 119.513 120.400 0.017 0.000 2.149 501 D HA -0.216 4.414 4.640 -0.017 0.000 0.198 501 D C 2.015 178.323 176.300 0.013 0.000 0.990 501 D CA 1.136 55.129 54.000 -0.011 0.000 0.839 501 D CB 0.096 40.878 40.800 -0.030 0.000 0.948 501 D HN 0.119 nan 8.370 nan 0.000 0.460 502 K N -0.165 120.256 120.400 0.035 0.000 2.026 502 K HA -0.074 4.236 4.320 -0.017 0.000 0.208 502 K C 2.245 178.883 176.600 0.064 0.000 1.048 502 K CA 0.933 57.247 56.287 0.044 0.000 0.929 502 K CB -0.459 32.071 32.500 0.050 0.000 0.713 502 K HN 0.387 nan 8.250 nan 0.000 0.439 503 M N 0.434 120.095 119.600 0.101 0.000 2.086 503 M HA -0.115 4.355 4.480 -0.017 0.000 0.261 503 M C 2.120 178.458 176.300 0.064 0.000 1.067 503 M CA 1.376 56.773 55.300 0.161 0.000 1.116 503 M CB -0.373 32.419 32.600 0.320 0.000 1.348 503 M HN 0.006 nan 8.290 nan 0.000 0.407 504 L N 0.608 121.819 121.223 -0.020 0.000 2.450 504 L HA -0.186 4.144 4.340 -0.017 0.000 0.224 504 L C 2.475 179.317 176.870 -0.047 0.000 1.149 504 L CA 0.930 55.701 54.840 -0.115 0.000 0.816 504 L CB -0.710 41.298 42.059 -0.085 0.000 0.932 504 L HN 0.526 nan 8.230 nan 0.000 0.449 505 Q N -1.458 118.340 119.800 -0.004 0.000 2.403 505 Q HA -0.071 4.259 4.340 -0.017 0.000 0.203 505 Q C 1.228 177.246 176.000 0.030 0.000 0.932 505 Q CA 0.477 56.288 55.803 0.012 0.000 0.945 505 Q CB -0.142 28.605 28.738 0.015 0.000 1.045 505 Q HN 0.451 nan 8.270 nan 0.000 0.511 506 N N 0.670 119.393 118.700 0.038 0.000 2.280 506 N HA 0.079 4.809 4.740 -0.017 0.000 0.192 506 N C -0.725 174.823 175.510 0.063 0.000 1.109 506 N CA 0.075 53.161 53.050 0.060 0.000 0.855 506 N CB 1.281 39.820 38.487 0.087 0.000 0.974 506 N HN 0.147 nan 8.380 nan 0.000 0.482 507 V N 0.860 120.793 119.914 0.032 0.000 2.823 507 V HA 0.279 4.389 4.120 -0.017 0.000 0.312 507 V C -0.870 175.240 176.094 0.026 0.000 1.072 507 V CA -0.702 61.618 62.300 0.033 0.000 0.937 507 V CB 2.133 33.949 31.823 -0.011 0.000 1.013 507 V HN -0.008 nan 8.190 nan 0.000 0.430 508 Q N 6.018 125.839 119.800 0.034 0.000 2.641 508 Q HA 0.280 4.610 4.340 -0.017 0.000 0.225 508 Q C -0.356 175.641 176.000 -0.005 0.000 1.309 508 Q CA -0.149 55.659 55.803 0.009 0.000 0.935 508 Q CB 0.369 29.074 28.738 -0.055 0.000 1.557 508 Q HN 0.603 nan 8.270 nan 0.000 0.563 509 M N 3.310 122.908 119.600 -0.004 0.000 2.241 509 M HA 0.327 4.797 4.480 -0.017 0.000 0.335 509 M C -1.916 174.357 176.300 -0.044 0.000 1.122 509 M CA -2.281 52.999 55.300 -0.033 0.000 1.164 509 M CB -0.095 32.487 32.600 -0.030 0.000 1.459 509 M HN 0.280 nan 8.290 nan 0.000 0.461 510 P HA 0.297 nan 4.420 nan 0.000 0.278 510 P C -0.979 176.264 177.300 -0.095 0.000 1.266 510 P CA -0.379 62.655 63.100 -0.110 0.000 0.807 510 P CB 0.764 32.369 31.700 -0.158 0.000 1.094 511 S N -0.647 114.982 115.700 -0.118 0.000 2.704 511 S HA 0.649 5.109 4.470 -0.017 0.000 0.305 511 S C -0.530 173.983 174.600 -0.144 0.000 1.107 511 S CA -0.800 57.340 58.200 -0.101 0.000 0.993 511 S CB 1.758 64.904 63.200 -0.090 0.000 1.110 511 S HN 0.515 nan 8.310 nan 0.000 0.534 512 K N 0.324 120.661 120.400 -0.106 0.000 2.397 512 K HA 0.435 4.746 4.320 -0.017 0.000 0.253 512 K C -1.486 175.059 176.600 -0.090 0.000 0.932 512 K CA -0.519 55.705 56.287 -0.104 0.000 0.795 512 K CB 1.485 33.947 32.500 -0.063 0.000 1.159 512 K HN 0.704 nan 8.250 nan 0.000 0.424 513 K N 5.546 125.881 120.400 -0.108 0.000 2.358 513 K HA 0.338 4.648 4.320 -0.017 0.000 0.260 513 K C -1.415 175.138 176.600 -0.079 0.000 0.956 513 K CA -0.666 55.565 56.287 -0.094 0.000 0.834 513 K CB 1.052 33.469 32.500 -0.138 0.000 1.102 513 K HN 0.567 nan 8.250 nan 0.000 0.431 514 L N 4.783 125.986 121.223 -0.034 0.000 2.298 514 L HA 0.448 4.778 4.340 -0.017 0.000 0.284 514 L C -0.935 175.944 176.870 0.015 0.000 1.013 514 L CA -0.112 54.746 54.840 0.030 0.000 0.824 514 L CB 1.124 43.277 42.059 0.157 0.000 1.221 514 L HN 0.886 nan 8.230 nan 0.000 0.418 515 D N 2.825 123.056 120.400 -0.281 0.000 2.921 515 D HA 0.455 5.085 4.640 -0.017 0.000 0.329 515 D C -1.606 174.333 176.300 -0.601 0.000 1.293 515 D CA -0.058 53.678 54.000 -0.439 0.000 0.964 515 D CB 2.447 42.934 40.800 -0.522 0.000 1.435 515 D HN 0.232 nan 8.370 nan 0.000 0.548 516 F N 0.036 119.648 119.950 -0.563 0.000 2.664 516 F HA 0.728 5.245 4.527 -0.017 0.000 0.317 516 F C -1.029 174.879 175.800 0.180 0.000 1.108 516 F CA -0.992 56.825 58.000 -0.305 0.000 0.957 516 F CB 0.916 39.301 39.000 -1.026 0.000 1.365 516 F HN 0.273 nan 8.300 nan 0.000 0.475 517 I N -0.322 120.514 120.570 0.443 0.000 2.969 517 I HA 0.702 4.862 4.170 -0.017 0.000 0.307 517 I C -1.623 174.731 176.117 0.394 0.000 1.149 517 I CA -1.213 60.268 61.300 0.301 0.000 1.008 517 I CB 2.541 40.679 38.000 0.231 0.000 1.232 517 I HN 0.678 nan 8.210 nan 0.000 0.435 518 I N 4.038 124.772 120.570 0.273 0.000 2.412 518 I HA 0.465 4.625 4.170 -0.017 0.000 0.296 518 I C -0.842 175.423 176.117 0.246 0.000 0.987 518 I CA -0.696 60.758 61.300 0.257 0.000 1.180 518 I CB 1.858 39.968 38.000 0.185 0.000 1.340 518 I HN 0.369 nan 8.210 nan 0.000 0.455 519 L N 6.536 127.955 121.223 0.326 0.000 2.406 519 L HA 0.412 4.742 4.340 -0.017 0.000 0.270 519 L C -0.646 176.370 176.870 0.244 0.000 0.982 519 L CA -0.794 54.222 54.840 0.293 0.000 0.843 519 L CB 1.417 43.716 42.059 0.399 0.000 1.225 519 L HN 0.638 nan 8.230 nan 0.000 0.412 520 N N 3.429 122.208 118.700 0.132 0.000 2.696 520 N HA -0.199 4.531 4.740 -0.017 0.000 0.256 520 N C 0.362 175.916 175.510 0.073 0.000 1.031 520 N CA 1.049 54.152 53.050 0.088 0.000 0.730 520 N CB -0.600 37.933 38.487 0.076 0.000 0.894 520 N HN 0.777 nan 8.380 nan 0.000 0.544 521 E N -3.462 116.774 120.200 0.059 0.000 3.799 521 E HA -0.248 4.092 4.350 -0.017 0.000 0.320 521 E C 0.229 176.829 176.600 -0.001 0.000 0.760 521 E CA 1.886 58.304 56.400 0.030 0.000 1.153 521 E CB -1.389 28.322 29.700 0.018 0.000 1.589 521 E HN 0.727 nan 8.360 nan 0.000 0.448 522 T N -0.020 114.527 114.554 -0.011 0.000 2.876 522 T HA 0.451 4.791 4.350 -0.017 0.000 0.289 522 T C -0.513 174.007 174.700 -0.300 0.000 1.014 522 T CA -0.858 61.141 62.100 -0.170 0.000 0.986 522 T CB 1.289 70.022 68.868 -0.225 0.000 1.021 522 T HN 0.084 nan 8.240 nan 0.000 0.458 523 K N 3.329 123.515 120.400 -0.357 0.000 2.218 523 K HA 0.506 4.816 4.320 -0.017 0.000 0.276 523 K C -1.163 175.139 176.600 -0.497 0.000 1.022 523 K CA -0.525 55.579 56.287 -0.304 0.000 0.946 523 K CB 0.753 32.996 32.500 -0.429 0.000 1.000 523 K HN 0.461 nan 8.250 nan 0.000 0.468 524 F N 1.205 121.277 119.950 0.204 0.000 2.518 524 F HA 0.305 4.822 4.527 -0.016 0.000 0.323 524 F C -0.663 175.310 175.800 0.289 0.000 1.129 524 F CA -0.925 57.210 58.000 0.224 0.000 0.920 524 F CB 1.178 40.289 39.000 0.185 0.000 1.160 524 F HN 0.506 nan 8.300 nan 0.000 0.440 525 W N 3.340 124.832 121.300 0.320 0.000 2.283 525 W HA 0.502 5.152 4.660 -0.017 0.000 0.341 525 W C -0.501 176.267 176.519 0.416 0.000 1.206 525 W CA -0.535 57.013 57.345 0.338 0.000 1.294 525 W CB 0.497 30.069 29.460 0.187 0.000 1.154 525 W HN 0.454 nan 8.180 nan 0.000 0.613 526 Y N -0.760 119.886 120.300 0.577 0.000 2.655 526 Y HA 0.673 5.213 4.550 -0.017 0.000 0.336 526 Y C -1.079 175.041 175.900 0.368 0.000 1.154 526 Y CA -1.857 56.561 58.100 0.530 0.000 1.055 526 Y CB 1.131 40.040 38.460 0.749 0.000 1.295 526 Y HN 0.560 nan 8.280 nan 0.000 0.465 527 Q N 1.677 121.730 119.800 0.422 0.000 2.416 527 Q HA 0.757 5.087 4.340 -0.017 0.000 0.281 527 Q C -1.957 174.170 176.000 0.212 0.000 1.067 527 Q CA -1.177 54.735 55.803 0.182 0.000 0.809 527 Q CB 3.330 32.148 28.738 0.133 0.000 1.418 527 Q HN 0.860 nan 8.270 nan 0.000 0.411 528 M N 2.307 121.945 119.600 0.064 0.000 2.267 528 M HA 0.425 4.895 4.480 -0.017 0.000 0.289 528 M C -1.324 174.899 176.300 -0.128 0.000 1.043 528 M CA -0.908 54.368 55.300 -0.040 0.000 0.928 528 M CB 2.241 34.781 32.600 -0.101 0.000 1.613 528 M HN 0.597 nan 8.290 nan 0.000 0.450 529 I N 5.045 125.535 120.570 -0.133 0.000 2.301 529 I HA 0.333 4.493 4.170 -0.017 0.000 0.292 529 I C -0.338 175.624 176.117 -0.259 0.000 1.046 529 I CA -0.232 60.964 61.300 -0.174 0.000 1.282 529 I CB -0.006 37.907 38.000 -0.145 0.000 1.409 529 I HN 0.638 nan 8.210 nan 0.000 0.484 530 L N 8.442 129.460 121.223 -0.342 0.000 2.307 530 L HA 0.437 4.767 4.340 -0.017 0.000 0.282 530 L C -2.123 174.545 176.870 -0.337 0.000 1.051 530 L CA -1.749 52.788 54.840 -0.506 0.000 0.804 530 L CB 1.045 42.600 42.059 -0.839 0.000 1.197 530 L HN 0.270 nan 8.230 nan 0.000 0.431 531 P HA 0.100 nan 4.420 nan 0.000 0.271 531 P C -2.488 174.762 177.300 -0.083 0.000 1.233 531 P CA -0.874 62.125 63.100 -0.169 0.000 0.789 531 P CB -0.125 31.494 31.700 -0.136 0.000 0.951 532 P HA -0.010 nan 4.420 nan 0.000 0.270 532 P C -0.381 176.963 177.300 0.073 0.000 1.223 532 P CA 0.355 63.425 63.100 -0.050 0.000 0.785 532 P CB -0.289 31.256 31.700 -0.259 0.000 0.923 533 H N -1.982 117.126 119.070 0.064 0.000 2.690 533 H HA -0.233 4.313 4.556 -0.016 0.000 0.309 533 H C -0.021 175.380 175.328 0.122 0.000 1.138 533 H CA -0.660 55.434 56.048 0.076 0.000 1.142 533 H CB -1.946 27.852 29.762 0.060 0.000 1.410 533 H HN 0.327 nan 8.280 nan 0.000 0.409 534 F N 2.711 122.692 119.950 0.053 0.000 2.612 534 F HA 0.040 4.557 4.527 -0.017 0.000 0.389 534 F C 0.565 176.391 175.800 0.045 0.000 1.055 534 F CA -0.007 57.972 58.000 -0.036 0.000 1.232 534 F CB 0.428 39.308 39.000 -0.200 0.000 1.044 534 F HN 0.240 nan 8.300 nan 0.000 0.560 535 D N 5.663 125.829 120.400 -0.391 0.000 2.454 535 D HA 0.154 4.784 4.640 -0.017 0.000 0.247 535 D C 0.512 176.481 176.300 -0.552 0.000 1.129 535 D CA -0.616 53.173 54.000 -0.352 0.000 0.877 535 D CB 0.858 41.597 40.800 -0.102 0.000 1.082 535 D HN 0.628 nan 8.370 nan 0.000 0.537 536 K N 1.516 121.509 120.400 -0.678 0.000 2.585 536 K HA -0.110 4.200 4.320 -0.017 0.000 0.194 536 K C 1.248 177.821 176.600 -0.044 0.000 1.037 536 K CA 0.790 56.856 56.287 -0.368 0.000 0.964 536 K CB 0.125 32.562 32.500 -0.105 0.000 0.787 536 K HN 0.163 nan 8.250 nan 0.000 0.488 537 S N 0.322 115.961 115.700 -0.101 0.000 2.388 537 S HA -0.001 4.459 4.470 -0.017 0.000 0.223 537 S C 0.807 175.362 174.600 -0.075 0.000 1.034 537 S CA 0.039 58.203 58.200 -0.058 0.000 0.963 537 S CB 0.041 63.201 63.200 -0.067 0.000 0.827 537 S HN 0.342 nan 8.310 nan 0.000 0.481 538 K N 0.990 121.310 120.400 -0.134 0.000 2.120 538 K HA 0.190 4.500 4.320 -0.017 0.000 0.245 538 K C -0.587 175.864 176.600 -0.248 0.000 1.024 538 K CA -0.196 55.940 56.287 -0.252 0.000 0.906 538 K CB 0.385 32.623 32.500 -0.435 0.000 1.051 538 K HN 0.086 nan 8.250 nan 0.000 0.491 539 K N 2.333 122.539 120.400 -0.323 0.000 2.206 539 K HA 0.267 4.577 4.320 -0.017 0.000 0.264 539 K C -1.024 175.389 176.600 -0.312 0.000 0.967 539 K CA -0.385 55.793 56.287 -0.182 0.000 0.844 539 K CB 1.007 33.429 32.500 -0.130 0.000 1.099 539 K HN 0.405 nan 8.250 nan 0.000 0.441 540 Y N 2.311 122.632 120.300 0.035 0.000 2.468 540 Y HA 0.338 4.878 4.550 -0.017 0.000 0.342 540 Y C -1.878 173.953 175.900 -0.115 0.000 1.021 540 Y CA -2.264 55.833 58.100 -0.006 0.000 1.079 540 Y CB 1.606 40.126 38.460 0.100 0.000 1.226 540 Y HN 0.443 nan 8.280 nan 0.000 0.460 541 P HA 0.242 nan 4.420 nan 0.000 0.274 541 P C -1.210 175.941 177.300 -0.249 0.000 1.237 541 P CA -0.292 62.518 63.100 -0.484 0.000 0.793 541 P CB 1.815 32.825 31.700 -1.150 0.000 0.977 542 L N 2.076 123.195 121.223 -0.173 0.000 2.410 542 L HA 0.500 4.830 4.340 -0.017 0.000 0.270 542 L C -1.290 175.765 176.870 0.309 0.000 0.983 542 L CA -0.968 53.920 54.840 0.079 0.000 0.822 542 L CB 1.664 43.775 42.059 0.087 0.000 1.285 542 L HN 0.241 nan 8.230 nan 0.000 0.409 543 L N 5.652 127.083 121.223 0.346 0.000 2.287 543 L HA 0.429 4.759 4.340 -0.017 0.000 0.287 543 L C -1.162 175.947 176.870 0.399 0.000 1.022 543 L CA -0.837 54.266 54.840 0.439 0.000 0.814 543 L CB 1.713 43.983 42.059 0.352 0.000 1.217 543 L HN 0.637 nan 8.230 nan 0.000 0.420 544 L N 5.388 126.893 121.223 0.470 0.000 2.261 544 L HA 0.323 4.653 4.340 -0.017 0.000 0.289 544 L C -0.281 176.821 176.870 0.386 0.000 1.059 544 L CA 0.072 55.170 54.840 0.430 0.000 0.816 544 L CB 0.839 43.194 42.059 0.493 0.000 1.191 544 L HN 0.475 nan 8.230 nan 0.000 0.431 545 D N 4.388 124.991 120.400 0.338 0.000 2.313 545 D HA 0.288 4.918 4.640 -0.017 0.000 0.239 545 D C -1.057 175.314 176.300 0.118 0.000 1.142 545 D CA 0.106 54.224 54.000 0.196 0.000 0.847 545 D CB 1.333 42.315 40.800 0.303 0.000 1.082 545 D HN 0.340 nan 8.370 nan 0.000 0.480 546 V N 5.421 125.328 119.914 -0.012 0.000 2.876 546 V HA 0.471 4.581 4.120 -0.017 0.000 0.312 546 V C -1.117 175.059 176.094 0.135 0.000 1.085 546 V CA -0.456 61.906 62.300 0.102 0.000 0.945 546 V CB 1.904 33.793 31.823 0.109 0.000 1.017 546 V HN 0.684 nan 8.190 nan 0.000 0.428 547 Y N 4.828 125.189 120.300 0.103 0.000 3.266 547 Y HA 0.569 5.109 4.550 -0.017 0.000 0.189 547 Y C 1.477 177.523 175.900 0.244 0.000 0.895 547 Y CA 0.960 59.154 58.100 0.156 0.000 1.706 547 Y CB 0.342 38.874 38.460 0.119 0.000 1.449 547 Y HN 1.102 nan 8.280 nan 0.000 0.391 548 A N 1.216 124.131 122.820 0.157 0.000 2.872 548 A HA -0.141 4.169 4.320 -0.017 0.000 0.273 548 A C 0.665 178.085 177.584 -0.272 0.000 1.442 548 A CA 0.891 52.961 52.037 0.055 0.000 0.801 548 A CB -2.366 16.726 19.000 0.153 0.000 1.031 548 A HN 0.922 nan 8.150 nan 0.000 0.582 549 G N -0.614 107.774 108.800 -0.686 0.000 2.580 549 G HA2 0.576 4.526 3.960 -0.017 0.000 0.278 549 G HA3 0.576 4.526 3.960 -0.017 0.000 0.278 549 G C -2.017 172.522 174.900 -0.600 0.000 1.212 549 G CA -0.929 43.347 45.100 -1.374 0.000 0.939 549 G HN 0.376 nan 8.290 nan 0.000 0.513 550 P HA 0.046 nan 4.420 nan 0.000 0.264 550 P C 0.543 177.653 177.300 -0.316 0.000 1.193 550 P CA 0.183 62.956 63.100 -0.546 0.000 0.763 550 P CB 0.804 31.779 31.700 -1.208 0.000 0.810 551 C N 2.303 121.490 119.300 -0.188 0.000 4.454 551 C HA -0.126 4.324 4.460 -0.017 0.000 0.298 551 C C 0.939 175.926 174.990 -0.005 0.000 1.384 551 C CA 1.129 60.005 59.018 -0.236 0.000 2.002 551 C CB -2.662 24.759 27.740 -0.531 0.000 1.249 551 C HN 0.842 nan 8.230 nan 0.000 0.783 552 S N -0.118 115.653 115.700 0.117 0.000 2.745 552 S HA 0.751 5.211 4.470 -0.017 0.000 0.292 552 S C -0.769 174.009 174.600 0.296 0.000 1.133 552 S CA 0.008 58.390 58.200 0.304 0.000 0.998 552 S CB 1.854 65.317 63.200 0.438 0.000 1.087 552 S HN 0.896 nan 8.310 nan 0.000 0.551 553 Q N -0.148 119.855 119.800 0.338 0.000 2.334 553 Q HA 0.377 4.707 4.340 -0.017 0.000 0.249 553 Q C -0.839 175.296 176.000 0.225 0.000 0.909 553 Q CA -0.598 55.384 55.803 0.298 0.000 0.823 553 Q CB 1.193 30.160 28.738 0.381 0.000 1.353 553 Q HN 0.674 nan 8.270 nan 0.000 0.433 554 K N 1.136 121.664 120.400 0.213 0.000 2.353 554 K HA 0.331 4.641 4.320 -0.017 0.000 0.195 554 K C -0.332 176.376 176.600 0.180 0.000 1.031 554 K CA 0.347 56.746 56.287 0.188 0.000 1.079 554 K CB 1.421 34.055 32.500 0.223 0.000 0.857 554 K HN 0.511 nan 8.250 nan 0.000 0.535 555 A N 2.776 125.715 122.820 0.197 0.000 2.273 555 A HA 0.437 4.747 4.320 -0.017 0.000 0.320 555 A C -0.790 176.877 177.584 0.138 0.000 1.358 555 A CA -0.501 51.658 52.037 0.204 0.000 0.910 555 A CB 0.165 19.349 19.000 0.307 0.000 1.159 555 A HN 0.257 nan 8.150 nan 0.000 0.526 556 D N -0.154 120.299 120.400 0.089 0.000 2.677 556 D HA 0.365 4.995 4.640 -0.017 0.000 0.298 556 D C 0.387 176.699 176.300 0.021 0.000 1.250 556 D CA 0.262 54.296 54.000 0.058 0.000 0.888 556 D CB 0.242 41.064 40.800 0.036 0.000 1.397 556 D HN 0.179 nan 8.370 nan 0.000 0.461 557 T N -2.256 112.321 114.554 0.039 0.000 3.144 557 T HA 0.276 4.616 4.350 -0.017 0.000 0.249 557 T C 0.591 175.248 174.700 -0.072 0.000 1.089 557 T CA -0.311 61.806 62.100 0.028 0.000 0.989 557 T CB -0.613 68.321 68.868 0.111 0.000 0.992 557 T HN 0.286 nan 8.240 nan 0.000 0.540 558 V N 2.527 122.290 119.914 -0.252 0.000 2.655 558 V HA 0.278 4.388 4.120 -0.017 0.000 0.300 558 V C 0.148 176.194 176.094 -0.081 0.000 1.044 558 V CA -0.840 61.287 62.300 -0.288 0.000 1.095 558 V CB -0.034 31.511 31.823 -0.464 0.000 0.952 558 V HN 0.549 nan 8.190 nan 0.000 0.485 559 F N 6.206 126.060 119.950 -0.160 0.000 2.410 559 F HA 0.599 5.117 4.527 -0.016 0.000 0.348 559 F C 0.459 176.200 175.800 -0.098 0.000 1.106 559 F CA -0.236 57.695 58.000 -0.115 0.000 1.163 559 F CB 0.399 39.340 39.000 -0.099 0.000 1.129 559 F HN 0.426 nan 8.300 nan 0.000 0.516 560 R N 6.304 126.379 120.500 -0.708 0.000 2.725 560 R HA 0.547 4.877 4.340 -0.017 0.000 0.277 560 R C -1.651 174.241 176.300 -0.680 0.000 0.987 560 R CA -1.074 54.727 56.100 -0.499 0.000 0.901 560 R CB 2.171 32.321 30.300 -0.250 0.000 1.207 560 R HN 0.667 nan 8.270 nan 0.000 0.463 561 L N 4.048 125.059 121.223 -0.354 0.000 2.337 561 L HA 0.393 4.723 4.340 -0.017 0.000 0.269 561 L C -0.693 176.143 176.870 -0.056 0.000 1.018 561 L CA -0.637 54.027 54.840 -0.292 0.000 0.876 561 L CB 0.450 42.486 42.059 -0.038 0.000 1.236 561 L HN 0.760 nan 8.230 nan 0.000 0.436 562 N N 0.120 118.705 118.700 -0.190 0.000 3.479 562 N HA 0.160 4.890 4.740 -0.017 0.000 0.336 562 N C 0.198 175.386 175.510 -0.538 0.000 1.623 562 N CA -0.873 51.983 53.050 -0.322 0.000 0.759 562 N CB 0.148 38.561 38.487 -0.123 0.000 2.016 562 N HN 0.266 nan 8.380 nan 0.000 0.637 563 W N 0.525 121.264 121.300 -0.936 0.000 2.363 563 W HA 0.182 4.833 4.660 -0.016 0.000 0.296 563 W C 1.980 178.459 176.519 -0.066 0.000 1.212 563 W CA 2.693 59.725 57.345 -0.522 0.000 1.260 563 W CB -0.864 28.434 29.460 -0.271 0.000 1.131 563 W HN 0.690 nan 8.180 nan 0.000 0.530 564 A N -0.575 122.209 122.820 -0.060 0.000 1.930 564 A HA -0.167 4.143 4.320 -0.017 0.000 0.217 564 A C 1.943 179.408 177.584 -0.199 0.000 1.175 564 A CA 2.306 54.244 52.037 -0.165 0.000 0.627 564 A CB -1.263 17.727 19.000 -0.016 0.000 0.815 564 A HN 0.276 nan 8.150 nan 0.000 0.443 565 T N -0.942 113.500 114.554 -0.187 0.000 2.684 565 T HA -0.246 4.094 4.350 -0.017 0.000 0.267 565 T C 1.814 176.509 174.700 -0.008 0.000 1.036 565 T CA 1.853 63.810 62.100 -0.238 0.000 1.148 565 T CB -0.551 67.970 68.868 -0.579 0.000 0.863 565 T HN 0.669 nan 8.240 nan 0.000 0.436 566 Y N 2.166 122.525 120.300 0.098 0.000 2.145 566 Y HA -0.082 4.457 4.550 -0.017 0.000 0.286 566 Y C 1.997 177.865 175.900 -0.052 0.000 1.145 566 Y CA 0.967 59.163 58.100 0.159 0.000 1.148 566 Y CB -0.827 37.720 38.460 0.144 0.000 0.981 566 Y HN 0.132 nan 8.280 nan 0.000 0.507 567 L N 0.160 120.939 121.223 -0.741 0.000 2.042 567 L HA -0.248 4.082 4.340 -0.017 0.000 0.210 567 L C 2.809 179.417 176.870 -0.437 0.000 1.076 567 L CA 1.418 55.777 54.840 -0.801 0.000 0.749 567 L CB -0.979 40.653 42.059 -0.711 0.000 0.893 567 L HN 0.428 nan 8.230 nan 0.000 0.432 568 A N -1.354 121.289 122.820 -0.296 0.000 1.874 568 A HA -0.164 4.146 4.320 -0.017 0.000 0.214 568 A C 2.508 180.001 177.584 -0.151 0.000 1.189 568 A CA 1.627 53.542 52.037 -0.203 0.000 0.615 568 A CB -0.587 18.296 19.000 -0.194 0.000 0.830 568 A HN 0.323 nan 8.150 nan 0.000 0.443 569 S N -1.066 114.566 115.700 -0.113 0.000 2.355 569 S HA -0.119 4.341 4.470 -0.017 0.000 0.222 569 S C 1.995 176.582 174.600 -0.021 0.000 1.031 569 S CA 2.310 60.487 58.200 -0.037 0.000 0.993 569 S CB -0.380 62.860 63.200 0.068 0.000 0.859 569 S HN 0.580 nan 8.310 nan 0.000 0.453 570 T N 1.128 115.659 114.554 -0.038 0.000 2.983 570 T HA 0.177 4.517 4.350 -0.017 0.000 0.250 570 T C 1.383 176.044 174.700 -0.064 0.000 1.037 570 T CA 0.550 62.649 62.100 -0.002 0.000 1.142 570 T CB -0.116 68.842 68.868 0.150 0.000 0.876 570 T HN 0.284 nan 8.240 nan 0.000 0.455 571 E N 1.285 121.364 120.200 -0.201 0.000 2.479 571 E HA 0.159 4.499 4.350 -0.017 0.000 0.193 571 E C -0.047 176.526 176.600 -0.044 0.000 1.049 571 E CA -0.089 56.236 56.400 -0.125 0.000 0.870 571 E CB -0.399 29.169 29.700 -0.219 0.000 0.944 571 E HN 0.512 nan 8.360 nan 0.000 0.492 572 N N 0.635 119.308 118.700 -0.045 0.000 2.725 572 N HA -0.200 4.530 4.740 -0.017 0.000 0.251 572 N C -0.850 174.706 175.510 0.078 0.000 1.031 572 N CA 0.312 53.388 53.050 0.043 0.000 0.720 572 N CB -1.227 37.346 38.487 0.142 0.000 0.930 572 N HN 0.219 nan 8.380 nan 0.000 0.543 573 I N 0.589 121.144 120.570 -0.025 0.000 2.460 573 I HA 0.381 4.541 4.170 -0.017 0.000 0.298 573 I C 0.570 176.648 176.117 -0.065 0.000 0.989 573 I CA -0.858 60.441 61.300 -0.001 0.000 1.173 573 I CB 1.420 39.442 38.000 0.038 0.000 1.338 573 I HN 0.029 nan 8.210 nan 0.000 0.456 574 I N 5.978 126.521 120.570 -0.045 0.000 2.342 574 I HA 0.213 4.373 4.170 -0.017 0.000 0.291 574 I C -0.510 175.592 176.117 -0.025 0.000 1.010 574 I CA -0.541 60.698 61.300 -0.102 0.000 1.308 574 I CB 1.333 39.281 38.000 -0.087 0.000 1.400 574 I HN 0.186 nan 8.210 nan 0.000 0.488 575 V N 6.783 126.670 119.914 -0.045 0.000 2.313 575 V HA 0.563 4.673 4.120 -0.017 0.000 0.278 575 V C 0.365 176.493 176.094 0.057 0.000 1.017 575 V CA -0.429 61.895 62.300 0.041 0.000 0.823 575 V CB 1.058 32.893 31.823 0.019 0.000 1.010 575 V HN 0.835 nan 8.190 nan 0.000 0.443 576 A N 4.029 126.917 122.820 0.113 0.000 2.311 576 A HA 0.952 5.262 4.320 -0.017 0.000 0.334 576 A C -0.086 177.662 177.584 0.274 0.000 1.139 576 A CA -0.513 51.601 52.037 0.129 0.000 0.830 576 A CB 1.569 20.528 19.000 -0.067 0.000 1.234 576 A HN 0.679 nan 8.150 nan 0.000 0.483 577 S N -0.305 115.603 115.700 0.346 0.000 2.548 577 S HA 0.661 5.121 4.470 -0.017 0.000 0.276 577 S C -1.505 173.441 174.600 0.575 0.000 1.129 577 S CA -0.299 58.142 58.200 0.402 0.000 0.931 577 S CB 1.206 64.581 63.200 0.291 0.000 1.068 577 S HN 0.721 nan 8.310 nan 0.000 0.480 578 F N 2.081 122.265 119.950 0.390 0.000 2.540 578 F HA 0.532 5.049 4.527 -0.017 0.000 0.317 578 F C -1.325 174.670 175.800 0.326 0.000 1.104 578 F CA -0.808 57.441 58.000 0.415 0.000 0.913 578 F CB 1.443 40.654 39.000 0.351 0.000 1.170 578 F HN 0.383 nan 8.300 nan 0.000 0.450 579 D N 4.403 124.563 120.400 -0.400 0.000 2.454 579 D HA 0.380 5.010 4.640 -0.017 0.000 0.225 579 D C 0.303 176.227 176.300 -0.627 0.000 1.081 579 D CA 0.108 53.945 54.000 -0.272 0.000 0.864 579 D CB 1.477 42.305 40.800 0.048 0.000 1.040 579 D HN 0.769 nan 8.370 nan 0.000 0.517 580 G N 1.262 109.785 108.800 -0.462 0.000 2.736 580 G HA2 0.322 4.272 3.960 -0.017 0.000 0.229 580 G HA3 0.322 4.272 3.960 -0.017 0.000 0.229 580 G C 0.112 174.902 174.900 -0.182 0.000 1.380 580 G CA -0.749 44.068 45.100 -0.472 0.000 1.040 580 G HN 0.292 nan 8.290 nan 0.000 0.568 581 R N -0.799 119.582 120.500 -0.199 0.000 2.638 581 R HA 0.332 4.662 4.340 -0.017 0.000 0.268 581 R C 1.334 177.688 176.300 0.089 0.000 1.006 581 R CA 1.627 57.746 56.100 0.032 0.000 1.088 581 R CB 0.319 30.645 30.300 0.045 0.000 0.950 581 R HN 1.102 nan 8.270 nan 0.000 0.419 582 G N 1.059 109.918 108.800 0.100 0.000 2.258 582 G HA2 -0.338 3.612 3.960 -0.017 0.000 0.233 582 G HA3 -0.338 3.612 3.960 -0.017 0.000 0.233 582 G C 0.169 175.079 174.900 0.017 0.000 1.006 582 G CA 0.171 45.315 45.100 0.073 0.000 0.620 582 G HN 0.754 nan 8.290 nan 0.000 0.511 583 S N 0.462 116.182 115.700 0.034 0.000 2.589 583 S HA 0.631 5.091 4.470 -0.017 0.000 0.265 583 S C 0.890 175.468 174.600 -0.036 0.000 1.342 583 S CA 0.681 58.900 58.200 0.031 0.000 1.005 583 S CB 1.700 64.950 63.200 0.083 0.000 0.909 583 S HN 1.727 nan 8.310 nan 0.000 0.555 584 G N -0.844 107.891 108.800 -0.109 0.000 2.887 584 G HA2 0.513 4.463 3.960 -0.017 0.000 0.277 584 G HA3 0.513 4.463 3.960 -0.017 0.000 0.277 584 G C -0.934 173.805 174.900 -0.267 0.000 1.346 584 G CA -0.946 43.934 45.100 -0.366 0.000 1.058 584 G HN 0.925 nan 8.290 nan 0.000 0.535 585 Y N -2.277 118.022 120.300 -0.001 0.000 4.798 585 Y HA -0.215 4.325 4.550 -0.017 0.000 0.237 585 Y C 1.484 177.389 175.900 0.008 0.000 1.017 585 Y CA 1.139 59.245 58.100 0.010 0.000 2.010 585 Y CB -1.991 36.496 38.460 0.044 0.000 1.582 585 Y HN 0.504 nan 8.280 nan 0.000 0.621 586 Q N 0.029 119.846 119.800 0.028 0.000 2.112 586 Q HA 0.505 4.835 4.340 -0.017 0.000 0.222 586 Q C 0.878 176.778 176.000 -0.167 0.000 0.798 586 Q CA 0.250 56.075 55.803 0.038 0.000 1.060 586 Q CB 1.549 30.318 28.738 0.052 0.000 1.184 586 Q HN 0.558 nan 8.270 nan 0.000 0.475 587 G N 0.762 109.325 108.800 -0.396 0.000 2.692 587 G HA2 -0.181 3.769 3.960 -0.017 0.000 0.686 587 G HA3 -0.181 3.769 3.960 -0.017 0.000 0.686 587 G C -0.437 174.096 174.900 -0.613 0.000 1.243 587 G CA -0.616 43.980 45.100 -0.842 0.000 0.782 587 G HN 0.132 nan 8.290 nan 0.000 0.625 588 D N 0.070 120.070 120.400 -0.666 0.000 2.218 588 D HA -0.071 4.559 4.640 -0.017 0.000 0.204 588 D C 2.202 178.240 176.300 -0.436 0.000 0.976 588 D CA 1.345 54.928 54.000 -0.696 0.000 0.853 588 D CB 0.065 40.455 40.800 -0.683 0.000 0.939 588 D HN 0.608 nan 8.370 nan 0.000 0.481 589 K N 0.383 120.587 120.400 -0.327 0.000 2.057 589 K HA -0.102 4.208 4.320 -0.017 0.000 0.207 589 K C 2.034 178.574 176.600 -0.100 0.000 1.049 589 K CA 0.844 57.030 56.287 -0.167 0.000 0.931 589 K CB -0.027 32.397 32.500 -0.128 0.000 0.714 589 K HN 0.127 nan 8.250 nan 0.000 0.440 590 I N 0.366 120.870 120.570 -0.110 0.000 2.277 590 I HA -0.214 3.946 4.170 -0.017 0.000 0.243 590 I C 2.621 178.731 176.117 -0.012 0.000 1.094 590 I CA 0.783 62.091 61.300 0.013 0.000 1.393 590 I CB -0.097 37.946 38.000 0.072 0.000 1.078 590 I HN 0.286 nan 8.210 nan 0.000 0.417 591 M N 0.089 119.601 119.600 -0.147 0.000 2.132 591 M HA -0.211 4.259 4.480 -0.017 0.000 0.263 591 M C 1.818 178.109 176.300 -0.015 0.000 1.065 591 M CA 1.975 57.192 55.300 -0.138 0.000 1.122 591 M CB -0.261 32.135 32.600 -0.339 0.000 1.365 591 M HN 0.262 nan 8.290 nan 0.000 0.411 592 H N -0.759 118.200 119.070 -0.184 0.000 2.539 592 H HA 0.211 4.757 4.556 -0.017 0.000 0.267 592 H C 1.819 177.152 175.328 0.008 0.000 0.982 592 H CA 0.114 56.046 56.048 -0.193 0.000 1.146 592 H CB 0.194 29.747 29.762 -0.348 0.000 1.382 592 H HN 0.517 nan 8.280 nan 0.000 0.577 593 A N 1.469 124.384 122.820 0.158 0.000 2.076 593 A HA -0.136 4.174 4.320 -0.017 0.000 0.220 593 A C 2.017 179.815 177.584 0.357 0.000 1.160 593 A CA 1.180 53.338 52.037 0.203 0.000 0.653 593 A CB -0.658 18.423 19.000 0.135 0.000 0.801 593 A HN 0.609 nan 8.150 nan 0.000 0.455 594 I N -3.633 117.115 120.570 0.296 0.000 3.941 594 I HA 0.181 4.342 4.170 -0.017 0.000 0.335 594 I C 0.353 176.570 176.117 0.168 0.000 1.402 594 I CA -0.520 60.910 61.300 0.217 0.000 1.112 594 I CB -0.439 37.651 38.000 0.149 0.000 1.043 594 I HN 0.183 nan 8.210 nan 0.000 0.395 595 N N 3.187 122.036 118.700 0.249 0.000 2.359 595 N HA -0.093 4.637 4.740 -0.017 0.000 0.261 595 N C 0.163 175.715 175.510 0.070 0.000 1.267 595 N CA 0.413 53.610 53.050 0.245 0.000 0.864 595 N CB 0.318 38.891 38.487 0.144 0.000 1.063 595 N HN 0.428 nan 8.380 nan 0.000 0.474 596 R N 0.705 121.222 120.500 0.029 0.000 4.000 596 R HA -0.191 4.139 4.340 -0.017 0.000 0.362 596 R C -0.241 175.943 176.300 -0.193 0.000 1.183 596 R CA 0.821 56.887 56.100 -0.057 0.000 1.011 596 R CB -0.894 29.387 30.300 -0.032 0.000 1.501 596 R HN 0.566 nan 8.270 nan 0.000 0.553 597 R N 0.379 120.749 120.500 -0.218 0.000 2.698 597 R HA 0.267 4.597 4.340 -0.017 0.000 0.422 597 R C -0.835 175.388 176.300 -0.128 0.000 1.073 597 R CA -0.486 55.347 56.100 -0.444 0.000 1.054 597 R CB 0.457 30.502 30.300 -0.425 0.000 1.373 597 R HN -0.072 nan 8.270 nan 0.000 0.593 598 L N -0.233 121.003 121.223 0.022 0.000 2.483 598 L HA 0.240 4.570 4.340 -0.017 0.000 0.276 598 L C 1.573 178.668 176.870 0.374 0.000 1.213 598 L CA 1.631 56.528 54.840 0.096 0.000 0.843 598 L CB 0.425 42.312 42.059 -0.287 0.000 1.107 598 L HN 0.687 nan 8.230 nan 0.000 0.487 599 G N 0.768 109.835 108.800 0.444 0.000 2.153 599 G HA2 -0.329 3.621 3.960 -0.017 0.000 0.252 599 G HA3 -0.329 3.621 3.960 -0.017 0.000 0.252 599 G C 0.635 175.626 174.900 0.151 0.000 0.994 599 G CA 1.126 46.449 45.100 0.372 0.000 0.698 599 G HN 0.918 nan 8.290 nan 0.000 0.521 600 T N -3.401 111.186 114.554 0.054 0.000 3.479 600 T HA 0.439 4.779 4.350 -0.017 0.000 0.197 600 T C 1.718 176.380 174.700 -0.062 0.000 0.912 600 T CA 0.998 63.026 62.100 -0.119 0.000 1.281 600 T CB -0.099 68.499 68.868 -0.449 0.000 1.588 600 T HN 0.143 nan 8.240 nan 0.000 0.389 601 F N 3.448 123.434 119.950 0.059 0.000 2.234 601 F HA 0.135 4.652 4.527 -0.016 0.000 0.299 601 F C 2.776 178.602 175.800 0.042 0.000 1.087 601 F CA 0.901 58.923 58.000 0.037 0.000 1.340 601 F CB -0.676 38.339 39.000 0.025 0.000 1.031 601 F HN 0.460 nan 8.300 nan 0.000 0.500 602 E N 1.319 121.657 120.200 0.230 0.000 2.150 602 E HA -0.140 4.200 4.350 -0.017 0.000 0.193 602 E C 2.257 178.951 176.600 0.157 0.000 0.985 602 E CA 1.640 58.151 56.400 0.185 0.000 0.814 602 E CB -1.289 28.526 29.700 0.192 0.000 0.752 602 E HN 0.366 nan 8.360 nan 0.000 0.466 603 V N 0.358 120.342 119.914 0.115 0.000 2.453 603 V HA -0.145 3.965 4.120 -0.017 0.000 0.247 603 V C 2.001 178.129 176.094 0.056 0.000 1.048 603 V CA 1.812 64.140 62.300 0.046 0.000 1.049 603 V CB -0.401 31.392 31.823 -0.049 0.000 0.672 603 V HN 0.099 nan 8.190 nan 0.000 0.457 604 E N 0.340 120.591 120.200 0.084 0.000 2.077 604 E HA -0.216 4.124 4.350 -0.017 0.000 0.193 604 E C 1.966 178.600 176.600 0.057 0.000 0.989 604 E CA 1.718 58.166 56.400 0.080 0.000 0.800 604 E CB -0.242 29.537 29.700 0.132 0.000 0.746 604 E HN 0.656 nan 8.360 nan 0.000 0.452 605 D N 0.399 120.851 120.400 0.087 0.000 2.178 605 D HA -0.137 4.493 4.640 -0.017 0.000 0.202 605 D C 1.984 178.299 176.300 0.024 0.000 0.974 605 D CA 0.745 54.784 54.000 0.065 0.000 0.841 605 D CB -0.135 40.755 40.800 0.151 0.000 0.953 605 D HN 0.046 nan 8.370 nan 0.000 0.478 606 Q N 0.270 120.141 119.800 0.118 0.000 2.084 606 Q HA -0.053 4.277 4.340 -0.017 0.000 0.202 606 Q C 2.517 178.546 176.000 0.050 0.000 0.978 606 Q CA 0.615 56.491 55.803 0.121 0.000 0.844 606 Q CB -0.306 28.508 28.738 0.127 0.000 0.898 606 Q HN 0.434 nan 8.270 nan 0.000 0.426 607 I N 0.500 121.109 120.570 0.064 0.000 2.202 607 I HA -0.217 3.943 4.170 -0.017 0.000 0.242 607 I C 2.328 178.401 176.117 -0.073 0.000 1.091 607 I CA 0.917 62.285 61.300 0.113 0.000 1.368 607 I CB -0.233 37.826 38.000 0.098 0.000 1.058 607 I HN 0.136 nan 8.210 nan 0.000 0.410 608 E N 1.266 121.374 120.200 -0.154 0.000 2.077 608 E HA -0.202 4.138 4.350 -0.017 0.000 0.193 608 E C 2.236 178.544 176.600 -0.488 0.000 0.989 608 E CA 1.541 57.789 56.400 -0.254 0.000 0.800 608 E CB -0.141 29.433 29.700 -0.210 0.000 0.746 608 E HN 0.454 nan 8.360 nan 0.000 0.452 609 A N 1.119 123.476 122.820 -0.772 0.000 1.865 609 A HA -0.141 4.169 4.320 -0.017 0.000 0.217 609 A C 2.449 179.224 177.584 -1.348 0.000 1.191 609 A CA 2.501 53.736 52.037 -1.338 0.000 0.623 609 A CB -0.829 17.152 19.000 -1.699 0.000 0.826 609 A HN 0.310 nan 8.150 nan 0.000 0.444 610 A N -0.512 121.928 122.820 -0.633 0.000 1.902 610 A HA -0.178 4.132 4.320 -0.017 0.000 0.217 610 A C 2.246 179.633 177.584 -0.327 0.000 1.181 610 A CA 1.838 53.704 52.037 -0.285 0.000 0.623 610 A CB -0.521 18.443 19.000 -0.060 0.000 0.818 610 A HN 0.574 nan 8.150 nan 0.000 0.443 611 R N -0.527 119.772 120.500 -0.334 0.000 2.083 611 R HA -0.191 4.139 4.340 -0.017 0.000 0.237 611 R C 2.397 178.538 176.300 -0.265 0.000 1.137 611 R CA 1.953 57.895 56.100 -0.262 0.000 0.951 611 R CB -0.321 29.852 30.300 -0.212 0.000 0.851 611 R HN 0.680 nan 8.270 nan 0.000 0.434 612 Q N -0.747 118.829 119.800 -0.373 0.000 2.079 612 Q HA -0.157 4.173 4.340 -0.017 0.000 0.200 612 Q C 1.995 177.874 176.000 -0.202 0.000 0.974 612 Q CA 1.446 57.060 55.803 -0.315 0.000 0.840 612 Q CB -0.082 28.419 28.738 -0.396 0.000 0.898 612 Q HN 0.319 nan 8.270 nan 0.000 0.430 613 F N 0.924 120.726 119.950 -0.246 0.000 2.134 613 F HA -0.189 4.328 4.527 -0.017 0.000 0.299 613 F C 2.759 178.411 175.800 -0.246 0.000 1.097 613 F CA 1.341 59.194 58.000 -0.245 0.000 1.264 613 F CB -1.315 37.575 39.000 -0.184 0.000 1.001 613 F HN 0.077 nan 8.300 nan 0.000 0.479 614 S N -0.002 115.680 115.700 -0.029 0.000 2.419 614 S HA -0.193 4.267 4.470 -0.017 0.000 0.235 614 S C 1.539 176.059 174.600 -0.133 0.000 1.019 614 S CA 1.059 59.201 58.200 -0.097 0.000 0.982 614 S CB -0.637 62.486 63.200 -0.129 0.000 0.789 614 S HN 0.471 nan 8.310 nan 0.000 0.490 615 K N 0.128 120.445 120.400 -0.138 0.000 2.404 615 K HA 0.344 4.654 4.320 -0.017 0.000 0.194 615 K C 1.535 178.027 176.600 -0.181 0.000 1.023 615 K CA -0.029 56.175 56.287 -0.139 0.000 1.094 615 K CB -0.166 32.265 32.500 -0.114 0.000 0.841 615 K HN 0.364 nan 8.250 nan 0.000 0.523 616 M N -0.263 119.171 119.600 -0.275 0.000 2.296 616 M HA -0.107 4.363 4.480 -0.017 0.000 0.265 616 M C 1.349 177.363 176.300 -0.478 0.000 1.064 616 M CA 1.716 56.754 55.300 -0.437 0.000 1.109 616 M CB 0.110 32.254 32.600 -0.760 0.000 1.396 616 M HN 0.550 nan 8.290 nan 0.000 0.430 617 G N -0.360 108.200 108.800 -0.400 0.000 2.307 617 G HA2 -0.269 3.681 3.960 -0.017 0.000 0.210 617 G HA3 -0.269 3.681 3.960 -0.017 0.000 0.210 617 G C 0.499 175.329 174.900 -0.117 0.000 1.005 617 G CA 0.193 45.169 45.100 -0.206 0.000 0.634 617 G HN 0.537 nan 8.290 nan 0.000 0.496 618 F N 0.764 120.766 119.950 0.086 0.000 2.661 618 F HA 0.774 5.291 4.527 -0.017 0.000 0.306 618 F C 0.208 176.131 175.800 0.204 0.000 1.094 618 F CA -1.202 56.889 58.000 0.152 0.000 1.254 618 F CB 0.173 39.320 39.000 0.244 0.000 1.040 618 F HN 0.082 nan 8.300 nan 0.000 0.562 619 V N 1.714 121.608 119.914 -0.034 0.000 2.417 619 V HA 0.223 4.333 4.120 -0.017 0.000 0.291 619 V C -0.725 175.346 176.094 -0.038 0.000 1.024 619 V CA -0.756 61.554 62.300 0.017 0.000 0.861 619 V CB 1.517 33.291 31.823 -0.081 0.000 0.985 619 V HN 0.060 nan 8.190 nan 0.000 0.436 620 D N 4.366 124.744 120.400 -0.037 0.000 2.352 620 D HA 0.112 4.742 4.640 -0.017 0.000 0.245 620 D C 1.211 177.459 176.300 -0.088 0.000 1.224 620 D CA 0.017 53.969 54.000 -0.080 0.000 0.879 620 D CB 0.636 41.369 40.800 -0.111 0.000 1.057 620 D HN 0.436 nan 8.370 nan 0.000 0.491 621 N N 3.581 122.230 118.700 -0.084 0.000 2.049 621 N HA -0.238 4.492 4.740 -0.017 0.000 0.198 621 N C 1.158 176.622 175.510 -0.077 0.000 1.030 621 N CA 1.346 54.343 53.050 -0.088 0.000 0.870 621 N CB -0.036 38.403 38.487 -0.081 0.000 1.045 621 N HN 0.540 nan 8.380 nan 0.000 0.434 622 K N 0.259 120.623 120.400 -0.060 0.000 2.362 622 K HA 0.023 4.333 4.320 -0.017 0.000 0.200 622 K C 0.458 177.055 176.600 -0.005 0.000 1.046 622 K CA 0.644 56.912 56.287 -0.032 0.000 0.952 622 K CB 0.156 32.639 32.500 -0.028 0.000 0.753 622 K HN 0.142 nan 8.250 nan 0.000 0.466 623 R N 0.986 121.457 120.500 -0.049 0.000 2.835 623 R HA 0.324 4.654 4.340 -0.017 0.000 0.290 623 R C -0.929 175.339 176.300 -0.054 0.000 1.410 623 R CA -0.144 55.922 56.100 -0.057 0.000 1.590 623 R CB 0.509 30.628 30.300 -0.302 0.000 1.288 623 R HN 0.012 nan 8.270 nan 0.000 0.637 624 I N 1.084 121.728 120.570 0.124 0.000 2.378 624 I HA 0.521 4.681 4.170 -0.017 0.000 0.291 624 I C 0.019 176.409 176.117 0.455 0.000 0.992 624 I CA -0.630 60.784 61.300 0.190 0.000 1.154 624 I CB 1.859 39.821 38.000 -0.064 0.000 1.315 624 I HN 0.258 nan 8.210 nan 0.000 0.448 625 A N 7.021 130.234 122.820 0.655 0.000 2.430 625 A HA 0.903 5.213 4.320 -0.017 0.000 0.300 625 A C -1.230 176.734 177.584 0.633 0.000 1.124 625 A CA -0.614 51.802 52.037 0.631 0.000 0.766 625 A CB 1.960 21.188 19.000 0.380 0.000 1.328 625 A HN 0.713 nan 8.150 nan 0.000 0.424 626 I N 0.817 121.653 120.570 0.443 0.000 2.686 626 I HA 0.753 4.913 4.170 -0.017 0.000 0.295 626 I C -1.735 174.614 176.117 0.387 0.000 1.114 626 I CA -0.543 60.925 61.300 0.280 0.000 1.038 626 I CB 1.579 39.415 38.000 -0.273 0.000 1.238 626 I HN 0.902 nan 8.210 nan 0.000 0.420 627 W N 7.115 128.534 121.300 0.198 0.000 3.167 627 W HA 0.850 5.500 4.660 -0.017 0.000 0.324 627 W C -1.512 175.153 176.519 0.243 0.000 1.230 627 W CA -1.044 56.433 57.345 0.220 0.000 1.184 627 W CB 1.145 30.786 29.460 0.303 0.000 1.414 627 W HN 0.815 nan 8.180 nan 0.000 0.551 628 G N 1.164 109.952 108.800 -0.020 0.000 2.646 628 G HA2 0.515 4.465 3.960 -0.017 0.000 0.291 628 G HA3 0.515 4.465 3.960 -0.017 0.000 0.291 628 G C -2.782 172.110 174.900 -0.014 0.000 1.445 628 G CA -0.680 44.246 45.100 -0.290 0.000 0.814 628 G HN 0.600 nan 8.290 nan 0.000 0.495 629 W N 0.883 122.090 121.300 -0.155 0.000 2.761 629 W HA 0.608 5.259 4.660 -0.015 0.000 0.340 629 W C 0.803 177.394 176.519 0.121 0.000 1.072 629 W CA 0.292 57.645 57.345 0.013 0.000 1.215 629 W CB 1.920 31.393 29.460 0.021 0.000 1.420 629 W HN 1.282 nan 8.180 nan 0.000 0.519 630 S N 2.654 118.638 115.700 0.473 0.000 4.140 630 S HA -0.429 4.031 4.470 -0.017 0.000 0.618 630 S C 1.104 175.862 174.600 0.265 0.000 1.896 630 S CA 1.859 60.347 58.200 0.481 0.000 4.240 630 S CB -1.896 61.719 63.200 0.691 0.000 0.208 630 S HN 0.754 nan 8.310 nan 0.000 0.487 631 Y N 2.490 122.856 120.300 0.110 0.000 2.274 631 Y HA 0.105 4.645 4.550 -0.016 0.000 0.290 631 Y C 2.393 178.253 175.900 -0.067 0.000 1.145 631 Y CA 2.484 60.533 58.100 -0.085 0.000 1.203 631 Y CB -1.005 37.171 38.460 -0.474 0.000 0.984 631 Y HN 0.538 nan 8.280 nan 0.000 0.533 632 G N -0.801 108.068 108.800 0.115 0.000 2.422 632 G HA2 -0.249 3.701 3.960 -0.017 0.000 0.218 632 G HA3 -0.249 3.701 3.960 -0.017 0.000 0.218 632 G C 1.914 176.860 174.900 0.077 0.000 1.146 632 G CA 0.758 45.927 45.100 0.116 0.000 0.769 632 G HN 0.562 nan 8.290 nan 0.000 0.547 633 G N -0.192 108.672 108.800 0.107 0.000 2.422 633 G HA2 -0.240 3.710 3.960 -0.017 0.000 0.218 633 G HA3 -0.240 3.710 3.960 -0.017 0.000 0.218 633 G C 1.618 176.548 174.900 0.050 0.000 1.146 633 G CA 1.131 46.275 45.100 0.074 0.000 0.769 633 G HN 0.443 nan 8.290 nan 0.000 0.547 634 Y N 1.336 121.546 120.300 -0.150 0.000 2.145 634 Y HA -0.101 4.439 4.550 -0.017 0.000 0.286 634 Y C 2.737 178.539 175.900 -0.165 0.000 1.145 634 Y CA 1.553 59.508 58.100 -0.240 0.000 1.148 634 Y CB -0.497 37.671 38.460 -0.486 0.000 0.981 634 Y HN 0.026 nan 8.280 nan 0.000 0.507 635 V N -0.173 119.578 119.914 -0.270 0.000 2.343 635 V HA -0.325 3.785 4.120 -0.017 0.000 0.247 635 V C 2.329 178.292 176.094 -0.218 0.000 1.051 635 V CA 2.478 64.612 62.300 -0.277 0.000 1.036 635 V CB -1.185 30.633 31.823 -0.008 0.000 0.654 635 V HN 0.496 nan 8.190 nan 0.000 0.451 636 T N -0.232 114.257 114.554 -0.109 0.000 2.759 636 T HA -0.187 4.153 4.350 -0.017 0.000 0.269 636 T C 2.102 176.747 174.700 -0.092 0.000 1.042 636 T CA 1.948 63.998 62.100 -0.082 0.000 1.140 636 T CB -0.233 68.666 68.868 0.051 0.000 0.864 636 T HN 0.515 nan 8.240 nan 0.000 0.455 637 S N 0.827 116.500 115.700 -0.045 0.000 2.387 637 S HA 0.059 4.519 4.470 -0.017 0.000 0.226 637 S C 2.077 176.613 174.600 -0.107 0.000 1.026 637 S CA 0.741 58.956 58.200 0.025 0.000 0.972 637 S CB -0.187 63.074 63.200 0.102 0.000 0.814 637 S HN 0.336 nan 8.310 nan 0.000 0.477 638 M N 0.864 120.296 119.600 -0.281 0.000 2.200 638 M HA 0.020 4.490 4.480 -0.017 0.000 0.265 638 M C 2.151 178.295 176.300 -0.259 0.000 1.066 638 M CA 0.977 56.093 55.300 -0.306 0.000 1.127 638 M CB -1.281 31.020 32.600 -0.498 0.000 1.379 638 M HN 0.170 nan 8.290 nan 0.000 0.420 639 V N 0.738 120.490 119.914 -0.270 0.000 2.307 639 V HA -0.228 3.882 4.120 -0.017 0.000 0.245 639 V C 2.495 178.403 176.094 -0.310 0.000 1.045 639 V CA 1.367 63.510 62.300 -0.263 0.000 1.024 639 V CB -0.655 30.954 31.823 -0.356 0.000 0.651 639 V HN 0.391 nan 8.190 nan 0.000 0.449 640 L N 0.470 121.444 121.223 -0.414 0.000 2.191 640 L HA -0.062 4.268 4.340 -0.017 0.000 0.212 640 L C 2.139 178.470 176.870 -0.898 0.000 1.103 640 L CA 1.487 55.989 54.840 -0.563 0.000 0.769 640 L CB -0.666 41.020 42.059 -0.621 0.000 0.908 640 L HN 0.491 nan 8.230 nan 0.000 0.438 641 G N -1.520 106.760 108.800 -0.867 0.000 3.337 641 G HA2 -0.010 3.940 3.960 -0.017 0.000 0.246 641 G HA3 -0.010 3.940 3.960 -0.017 0.000 0.246 641 G C 1.425 176.154 174.900 -0.284 0.000 1.131 641 G CA 0.534 45.210 45.100 -0.707 0.000 0.773 641 G HN 0.404 nan 8.290 nan 0.000 0.544 642 S N -0.781 114.781 115.700 -0.229 0.000 2.470 642 S HA 0.301 4.761 4.470 -0.017 0.000 0.225 642 S C 1.995 176.545 174.600 -0.082 0.000 1.006 642 S CA 1.115 59.245 58.200 -0.116 0.000 0.934 642 S CB -0.062 63.091 63.200 -0.078 0.000 0.778 642 S HN 1.359 nan 8.310 nan 0.000 0.517 643 G N 1.210 109.948 108.800 -0.102 0.000 2.176 643 G HA2 -0.359 3.591 3.960 -0.017 0.000 0.253 643 G HA3 -0.359 3.591 3.960 -0.017 0.000 0.253 643 G C 1.102 175.984 174.900 -0.030 0.000 0.979 643 G CA 1.012 46.075 45.100 -0.062 0.000 0.641 643 G HN 1.283 nan 8.290 nan 0.000 0.530 644 S N 0.004 115.697 115.700 -0.011 0.000 2.383 644 S HA 0.221 4.681 4.470 -0.017 0.000 0.229 644 S C 2.684 177.283 174.600 -0.002 0.000 1.030 644 S CA 2.123 60.328 58.200 0.008 0.000 1.002 644 S CB -0.512 62.721 63.200 0.056 0.000 0.829 644 S HN 2.501 nan 8.310 nan 0.000 0.467 645 G N -0.380 108.428 108.800 0.013 0.000 2.184 645 G HA2 -0.267 3.683 3.960 -0.017 0.000 0.264 645 G HA3 -0.267 3.683 3.960 -0.017 0.000 0.264 645 G C 0.734 175.614 174.900 -0.033 0.000 0.975 645 G CA 0.425 45.525 45.100 -0.001 0.000 0.642 645 G HN 0.795 nan 8.290 nan 0.000 0.536 646 V N -0.571 119.301 119.914 -0.071 0.000 2.719 646 V HA 0.253 4.363 4.120 -0.017 0.000 0.252 646 V C 1.121 176.927 176.094 -0.480 0.000 1.065 646 V CA 1.344 63.455 62.300 -0.316 0.000 1.086 646 V CB -0.371 31.144 31.823 -0.514 0.000 0.700 646 V HN 0.322 nan 8.190 nan 0.000 0.467 647 F N -0.207 119.757 119.950 0.023 0.000 2.436 647 F HA 0.404 4.921 4.527 -0.016 0.000 0.340 647 F C 1.079 176.923 175.800 0.073 0.000 1.113 647 F CA -0.588 57.453 58.000 0.068 0.000 1.022 647 F CB 1.523 40.564 39.000 0.069 0.000 1.128 647 F HN -0.276 nan 8.300 nan 0.000 0.466 648 K N 1.611 122.164 120.400 0.256 0.000 2.098 648 K HA 0.085 4.395 4.320 -0.017 0.000 0.203 648 K C 0.002 176.732 176.600 0.217 0.000 1.051 648 K CA 0.974 57.377 56.287 0.194 0.000 0.957 648 K CB 0.255 32.869 32.500 0.190 0.000 0.738 648 K HN 0.805 nan 8.250 nan 0.000 0.447 649 c N -3.008 115.761 118.600 0.283 0.000 3.332 649 c HA 0.901 5.461 4.570 -0.017 0.000 0.329 649 c C -0.329 173.992 174.090 0.386 0.000 1.434 649 c CA -0.530 55.987 56.329 0.314 0.000 1.314 649 c CB 1.124 43.753 42.510 0.199 0.000 1.664 649 c HN 0.359 nan 8.230 nan 0.000 0.457 650 G N 0.064 109.156 108.800 0.487 0.000 2.667 650 G HA2 0.666 4.616 3.960 -0.017 0.000 0.294 650 G HA3 0.666 4.616 3.960 -0.017 0.000 0.294 650 G C -1.998 173.139 174.900 0.394 0.000 1.467 650 G CA -0.662 44.691 45.100 0.420 0.000 0.852 650 G HN 0.999 nan 8.290 nan 0.000 0.521 651 I N 0.792 121.554 120.570 0.319 0.000 2.465 651 I HA 0.653 4.813 4.170 -0.017 0.000 0.291 651 I C 0.256 176.505 176.117 0.220 0.000 1.014 651 I CA -0.945 60.432 61.300 0.127 0.000 1.093 651 I CB 2.300 40.336 38.000 0.060 0.000 1.267 651 I HN 0.663 nan 8.210 nan 0.000 0.431 652 A N 6.314 129.169 122.820 0.058 0.000 2.319 652 A HA 0.770 5.080 4.320 -0.017 0.000 0.310 652 A C -0.841 176.679 177.584 -0.108 0.000 1.152 652 A CA -0.518 51.559 52.037 0.066 0.000 0.783 652 A CB 1.145 20.242 19.000 0.162 0.000 1.184 652 A HN 0.438 nan 8.150 nan 0.000 0.474 653 V N 2.195 122.004 119.914 -0.174 0.000 2.370 653 V HA 0.566 4.676 4.120 -0.017 0.000 0.283 653 V C 0.935 176.695 176.094 -0.557 0.000 1.023 653 V CA 0.388 62.365 62.300 -0.538 0.000 0.857 653 V CB 0.812 31.961 31.823 -1.123 0.000 0.985 653 V HN 2.118 nan 8.190 nan 0.000 0.443 654 A N 5.793 128.266 122.820 -0.578 0.000 2.466 654 A HA -0.101 4.209 4.320 -0.017 0.000 0.295 654 A C -1.735 175.747 177.584 -0.170 0.000 1.465 654 A CA 0.414 52.014 52.037 -0.728 0.000 0.744 654 A CB -1.541 17.151 19.000 -0.513 0.000 1.098 654 A HN 0.617 nan 8.150 nan 0.000 0.402 655 P HA 0.434 nan 4.420 nan 0.000 0.277 655 P C 0.240 177.528 177.300 -0.020 0.000 1.240 655 P CA -0.209 62.899 63.100 0.012 0.000 0.798 655 P CB 1.362 33.086 31.700 0.040 0.000 0.979 656 V N 1.997 121.804 119.914 -0.178 0.000 2.834 656 V HA 0.113 4.223 4.120 -0.017 0.000 0.301 656 V C 1.701 177.624 176.094 -0.286 0.000 1.066 656 V CA 0.988 63.029 62.300 -0.431 0.000 1.052 656 V CB 0.978 32.159 31.823 -1.071 0.000 1.021 656 V HN 0.873 nan 8.190 nan 0.000 0.480 657 S N 3.235 118.774 115.700 -0.268 0.000 2.619 657 S HA 0.254 4.714 4.470 -0.017 0.000 0.238 657 S C 0.387 174.826 174.600 -0.269 0.000 1.068 657 S CA -0.326 57.797 58.200 -0.128 0.000 0.926 657 S CB 0.355 63.542 63.200 -0.021 0.000 0.864 657 S HN 0.843 nan 8.310 nan 0.000 0.493 658 R N -1.063 119.145 120.500 -0.488 0.000 2.515 658 R HA 0.470 4.800 4.340 -0.017 0.000 0.278 658 R C -0.850 175.078 176.300 -0.621 0.000 1.107 658 R CA -0.848 54.899 56.100 -0.588 0.000 0.945 658 R CB -0.241 29.695 30.300 -0.607 0.000 1.219 658 R HN 0.132 nan 8.270 nan 0.000 0.434 659 W N 1.615 122.811 121.300 -0.175 0.000 2.364 659 W HA -0.090 4.561 4.660 -0.014 0.000 0.281 659 W C 1.110 177.746 176.519 0.195 0.000 1.219 659 W CA 1.127 58.467 57.345 -0.010 0.000 1.220 659 W CB 0.175 29.555 29.460 -0.133 0.000 1.127 659 W HN 0.726 nan 8.180 nan 0.000 0.556 660 E N -1.100 119.244 120.200 0.240 0.000 2.409 660 E HA -0.190 4.150 4.350 -0.017 0.000 0.198 660 E C 1.268 177.995 176.600 0.213 0.000 1.024 660 E CA 0.767 57.268 56.400 0.168 0.000 0.861 660 E CB -0.241 29.447 29.700 -0.021 0.000 0.788 660 E HN 0.387 nan 8.360 nan 0.000 0.521 661 Y N -1.392 118.994 120.300 0.142 0.000 2.517 661 Y HA 0.046 4.587 4.550 -0.015 0.000 0.281 661 Y C 0.768 176.777 175.900 0.182 0.000 1.125 661 Y CA -0.263 57.896 58.100 0.099 0.000 1.283 661 Y CB -0.396 38.062 38.460 -0.003 0.000 1.042 661 Y HN 0.018 nan 8.280 nan 0.000 0.547 662 Y N 1.967 122.422 120.300 0.259 0.000 2.334 662 Y HA 0.264 4.804 4.550 -0.017 0.000 0.325 662 Y C 0.313 176.438 175.900 0.376 0.000 1.308 662 Y CA -2.132 56.138 58.100 0.284 0.000 1.389 662 Y CB 0.295 38.958 38.460 0.338 0.000 1.328 662 Y HN 0.200 nan 8.280 nan 0.000 0.532 663 D N -0.668 119.456 120.400 -0.460 0.000 2.362 663 D HA 0.121 4.751 4.640 -0.017 0.000 0.242 663 D C 0.978 177.244 176.300 -0.056 0.000 1.132 663 D CA 0.322 54.122 54.000 -0.334 0.000 0.907 663 D CB 0.939 41.299 40.800 -0.733 0.000 1.195 663 D HN 0.479 nan 8.370 nan 0.000 0.429 664 S N 1.474 117.164 115.700 -0.016 0.000 2.359 664 S HA -0.266 4.194 4.470 -0.017 0.000 0.222 664 S C 1.951 176.569 174.600 0.030 0.000 1.038 664 S CA 1.348 59.586 58.200 0.064 0.000 1.051 664 S CB -1.134 62.111 63.200 0.076 0.000 0.944 664 S HN 0.447 nan 8.310 nan 0.000 0.433 665 V N 0.637 120.498 119.914 -0.088 0.000 2.380 665 V HA -0.187 3.923 4.120 -0.017 0.000 0.251 665 V C 2.270 178.261 176.094 -0.172 0.000 1.063 665 V CA 2.305 64.453 62.300 -0.253 0.000 1.055 665 V CB -1.086 30.413 31.823 -0.539 0.000 0.657 665 V HN 0.618 nan 8.190 nan 0.000 0.455 666 Y N 1.147 121.366 120.300 -0.134 0.000 2.177 666 Y HA -0.160 4.380 4.550 -0.016 0.000 0.291 666 Y C 2.769 178.669 175.900 -0.002 0.000 1.117 666 Y CA 2.116 60.215 58.100 -0.002 0.000 1.114 666 Y CB -0.553 38.085 38.460 0.296 0.000 1.017 666 Y HN 0.194 nan 8.280 nan 0.000 0.505 667 T N 0.475 115.267 114.554 0.398 0.000 2.635 667 T HA -0.245 4.095 4.350 -0.017 0.000 0.267 667 T C 1.586 176.265 174.700 -0.035 0.000 1.040 667 T CA 2.082 64.328 62.100 0.245 0.000 1.156 667 T CB -0.408 68.750 68.868 0.483 0.000 0.863 667 T HN 0.423 nan 8.240 nan 0.000 0.430 668 E N 0.449 120.660 120.200 0.020 0.000 2.153 668 E HA -0.136 4.204 4.350 -0.017 0.000 0.194 668 E C 2.367 178.851 176.600 -0.194 0.000 0.988 668 E CA 0.678 57.078 56.400 0.000 0.000 0.811 668 E CB -0.151 29.593 29.700 0.073 0.000 0.746 668 E HN 0.348 nan 8.360 nan 0.000 0.466 669 R N -0.005 120.230 120.500 -0.442 0.000 2.117 669 R HA -0.205 4.125 4.340 -0.017 0.000 0.243 669 R C 1.246 177.007 176.300 -0.898 0.000 1.143 669 R CA 1.662 57.309 56.100 -0.754 0.000 0.968 669 R CB -0.038 29.525 30.300 -1.228 0.000 0.863 669 R HN 0.245 nan 8.270 nan 0.000 0.444 670 Y N -2.265 117.732 120.300 -0.505 0.000 2.498 670 Y HA 0.243 4.783 4.550 -0.017 0.000 0.259 670 Y C 1.579 177.302 175.900 -0.296 0.000 1.086 670 Y CA -0.024 57.782 58.100 -0.489 0.000 1.287 670 Y CB 0.504 38.539 38.460 -0.709 0.000 1.146 670 Y HN -0.031 nan 8.280 nan 0.000 0.523 671 M N -0.389 119.098 119.600 -0.189 0.000 2.313 671 M HA 0.379 4.849 4.480 -0.017 0.000 0.273 671 M C 1.010 177.327 176.300 0.028 0.000 1.049 671 M CA 0.718 55.904 55.300 -0.190 0.000 1.004 671 M CB -0.178 32.078 32.600 -0.574 0.000 1.461 671 M HN 0.320 nan 8.290 nan 0.000 0.514 672 G N 1.928 110.765 108.800 0.061 0.000 2.645 672 G HA2 -0.207 3.743 3.960 -0.017 0.000 0.239 672 G HA3 -0.207 3.743 3.960 -0.017 0.000 0.239 672 G C -0.808 174.237 174.900 0.242 0.000 1.331 672 G CA -0.845 44.330 45.100 0.125 0.000 0.890 672 G HN 0.235 nan 8.290 nan 0.000 0.572 673 L N 2.523 123.847 121.223 0.169 0.000 2.350 673 L HA 0.498 4.828 4.340 -0.017 0.000 0.275 673 L C -1.116 175.764 176.870 0.017 0.000 1.099 673 L CA -1.771 53.126 54.840 0.095 0.000 0.808 673 L CB 1.147 43.227 42.059 0.035 0.000 1.149 673 L HN 0.443 nan 8.230 nan 0.000 0.442 674 P HA 0.085 nan 4.420 nan 0.000 0.220 674 P C -0.600 176.546 177.300 -0.258 0.000 1.778 674 P CA -0.187 62.512 63.100 -0.669 0.000 0.912 674 P CB -0.410 30.485 31.700 -1.342 0.000 1.861 675 T N -3.149 111.346 114.554 -0.099 0.000 2.912 675 T HA 0.438 4.778 4.350 -0.017 0.000 0.288 675 T C -1.846 172.851 174.700 -0.005 0.000 1.030 675 T CA -2.445 59.627 62.100 -0.046 0.000 1.020 675 T CB 1.904 70.756 68.868 -0.027 0.000 1.056 675 T HN -0.215 nan 8.240 nan 0.000 0.480 676 P HA -0.125 nan 4.420 nan 0.000 0.216 676 P C 0.857 178.171 177.300 0.024 0.000 1.150 676 P CA 1.279 64.389 63.100 0.017 0.000 0.837 676 P CB 0.145 31.852 31.700 0.011 0.000 0.786 677 E N -0.609 119.601 120.200 0.017 0.000 2.204 677 E HA -0.121 4.219 4.350 -0.017 0.000 0.195 677 E C 1.673 178.290 176.600 0.028 0.000 0.990 677 E CA 0.972 57.383 56.400 0.018 0.000 0.821 677 E CB -0.487 29.220 29.700 0.010 0.000 0.750 677 E HN 0.360 nan 8.360 nan 0.000 0.477 678 D N -0.548 119.875 120.400 0.038 0.000 2.736 678 D HA 0.092 4.722 4.640 -0.017 0.000 0.251 678 D C 0.420 176.775 176.300 0.091 0.000 1.348 678 D CA 0.090 54.125 54.000 0.058 0.000 1.160 678 D CB -0.047 40.789 40.800 0.061 0.000 0.928 678 D HN 0.001 nan 8.370 nan 0.000 0.228 679 N N 0.004 118.793 118.700 0.147 0.000 2.238 679 N HA 0.026 4.756 4.740 -0.017 0.000 0.235 679 N C 1.452 177.156 175.510 0.323 0.000 1.209 679 N CA -0.141 53.043 53.050 0.224 0.000 0.879 679 N CB 0.764 39.404 38.487 0.255 0.000 1.136 679 N HN 0.013 nan 8.380 nan 0.000 0.517 680 L N 1.208 122.546 121.223 0.192 0.000 2.089 680 L HA -0.195 4.135 4.340 -0.017 0.000 0.213 680 L C 1.424 178.402 176.870 0.180 0.000 1.079 680 L CA 1.934 56.860 54.840 0.142 0.000 0.758 680 L CB -0.406 41.667 42.059 0.024 0.000 0.891 680 L HN 0.163 nan 8.230 nan 0.000 0.433 681 D N -1.499 118.992 120.400 0.152 0.000 2.117 681 D HA -0.244 4.386 4.640 -0.017 0.000 0.197 681 D C 1.985 178.379 176.300 0.157 0.000 0.987 681 D CA 1.717 55.794 54.000 0.128 0.000 0.829 681 D CB -0.126 40.738 40.800 0.106 0.000 0.961 681 D HN 0.587 nan 8.370 nan 0.000 0.460 682 H N -0.713 118.424 119.070 0.111 0.000 2.436 682 H HA -0.050 4.496 4.556 -0.016 0.000 0.294 682 H C 1.712 177.107 175.328 0.111 0.000 1.048 682 H CA 1.110 57.201 56.048 0.072 0.000 1.353 682 H CB -0.286 29.482 29.762 0.010 0.000 1.414 682 H HN 0.123 nan 8.280 nan 0.000 0.536 683 Y N 0.371 120.660 120.300 -0.019 0.000 2.151 683 Y HA -0.218 4.322 4.550 -0.017 0.000 0.284 683 Y C 2.377 178.235 175.900 -0.071 0.000 1.166 683 Y CA 1.608 59.699 58.100 -0.015 0.000 1.163 683 Y CB 0.132 38.616 38.460 0.040 0.000 0.974 683 Y HN 0.140 nan 8.280 nan 0.000 0.511 684 R N -0.443 120.121 120.500 0.107 0.000 2.119 684 R HA -0.057 4.274 4.340 -0.017 0.000 0.222 684 R C 1.516 177.806 176.300 -0.018 0.000 1.088 684 R CA 0.973 57.091 56.100 0.030 0.000 0.984 684 R CB -0.858 29.464 30.300 0.035 0.000 0.884 684 R HN 0.353 nan 8.270 nan 0.000 0.447 685 N N 0.422 119.092 118.700 -0.049 0.000 2.494 685 N HA -0.075 4.656 4.740 -0.017 0.000 0.182 685 N C 0.533 175.981 175.510 -0.103 0.000 1.076 685 N CA 0.881 53.900 53.050 -0.051 0.000 0.908 685 N CB 0.213 38.707 38.487 0.010 0.000 0.967 685 N HN 0.139 nan 8.380 nan 0.000 0.449 686 S N -1.304 114.282 115.700 -0.190 0.000 2.561 686 S HA 0.127 4.587 4.470 -0.017 0.000 0.245 686 S C 0.441 175.082 174.600 0.068 0.000 1.001 686 S CA -0.750 57.402 58.200 -0.080 0.000 1.002 686 S CB -0.576 62.505 63.200 -0.198 0.000 0.805 686 S HN 0.185 nan 8.310 nan 0.000 0.458 687 T N -1.514 113.039 114.554 -0.000 0.000 2.899 687 T HA 0.490 4.830 4.350 -0.017 0.000 0.284 687 T C 1.278 175.983 174.700 0.008 0.000 1.004 687 T CA -0.600 61.490 62.100 -0.016 0.000 1.043 687 T CB 1.284 70.107 68.868 -0.075 0.000 1.013 687 T HN -0.030 nan 8.240 nan 0.000 0.518 688 V N 1.908 121.825 119.914 0.004 0.000 2.488 688 V HA -0.089 4.021 4.120 -0.017 0.000 0.246 688 V C 2.616 178.687 176.094 -0.039 0.000 1.046 688 V CA 1.411 63.703 62.300 -0.013 0.000 1.053 688 V CB -0.928 30.880 31.823 -0.025 0.000 0.679 688 V HN 0.819 nan 8.190 nan 0.000 0.458 689 M N 1.282 120.844 119.600 -0.063 0.000 2.106 689 M HA -0.190 4.280 4.480 -0.017 0.000 0.259 689 M C 2.370 178.645 176.300 -0.041 0.000 1.068 689 M CA 2.280 57.536 55.300 -0.074 0.000 1.100 689 M CB -1.068 31.500 32.600 -0.055 0.000 1.351 689 M HN 0.533 nan 8.290 nan 0.000 0.404 690 S N -0.443 115.245 115.700 -0.021 0.000 2.469 690 S HA -0.102 4.358 4.470 -0.017 0.000 0.238 690 S C 1.838 176.446 174.600 0.014 0.000 0.998 690 S CA 0.846 59.043 58.200 -0.005 0.000 0.957 690 S CB -0.438 62.759 63.200 -0.005 0.000 0.764 690 S HN 0.531 nan 8.310 nan 0.000 0.514 691 R N 0.469 120.991 120.500 0.036 0.000 2.359 691 R HA 0.468 4.798 4.340 -0.017 0.000 0.231 691 R C 2.236 178.640 176.300 0.173 0.000 0.913 691 R CA 0.421 56.569 56.100 0.081 0.000 1.075 691 R CB -0.302 30.047 30.300 0.082 0.000 1.087 691 R HN 0.473 nan 8.270 nan 0.000 0.515 692 A N 1.651 124.523 122.820 0.087 0.000 1.881 692 A HA -0.341 3.969 4.320 -0.017 0.000 0.219 692 A C 1.985 179.661 177.584 0.154 0.000 1.215 692 A CA 2.147 54.212 52.037 0.048 0.000 0.648 692 A CB -0.461 18.502 19.000 -0.062 0.000 0.832 692 A HN 0.305 nan 8.150 nan 0.000 0.455 693 E N 0.294 120.549 120.200 0.092 0.000 2.136 693 E HA -0.228 4.112 4.350 -0.017 0.000 0.202 693 E C 1.522 178.179 176.600 0.095 0.000 1.019 693 E CA 2.014 58.462 56.400 0.081 0.000 0.819 693 E CB -0.556 29.173 29.700 0.048 0.000 0.739 693 E HN 0.814 nan 8.360 nan 0.000 0.458 694 N N -1.310 117.441 118.700 0.084 0.000 2.571 694 N HA -0.034 4.696 4.740 -0.017 0.000 0.189 694 N C 0.552 176.021 175.510 -0.069 0.000 1.154 694 N CA 0.011 53.057 53.050 -0.006 0.000 0.907 694 N CB -0.050 38.386 38.487 -0.085 0.000 0.977 694 N HN 0.153 nan 8.380 nan 0.000 0.449 695 F N 1.042 120.948 119.950 -0.073 0.000 2.710 695 F HA 0.114 4.632 4.527 -0.014 0.000 0.298 695 F C 1.943 177.744 175.800 0.001 0.000 1.137 695 F CA 0.366 58.315 58.000 -0.084 0.000 1.444 695 F CB 0.183 39.082 39.000 -0.169 0.000 1.111 695 F HN -0.085 nan 8.300 nan 0.000 0.580 696 K N -0.004 120.488 120.400 0.154 0.000 2.160 696 K HA -0.204 4.106 4.320 -0.017 0.000 0.206 696 K C 1.762 178.418 176.600 0.094 0.000 1.047 696 K CA 1.126 57.486 56.287 0.122 0.000 0.930 696 K CB -0.104 32.448 32.500 0.086 0.000 0.720 696 K HN 0.237 nan 8.250 nan 0.000 0.450 697 Q N 0.083 119.914 119.800 0.052 0.000 2.472 697 Q HA -0.008 4.322 4.340 -0.017 0.000 0.208 697 Q C 0.895 176.929 176.000 0.057 0.000 0.958 697 Q CA 0.482 56.308 55.803 0.038 0.000 0.932 697 Q CB -0.046 28.693 28.738 0.003 0.000 1.007 697 Q HN 0.251 nan 8.270 nan 0.000 0.508 698 V N -3.212 116.750 119.914 0.081 0.000 3.141 698 V HA 0.536 4.646 4.120 -0.017 0.000 0.312 698 V C -0.932 175.298 176.094 0.226 0.000 1.157 698 V CA -1.292 61.083 62.300 0.125 0.000 1.041 698 V CB 2.433 34.293 31.823 0.061 0.000 1.071 698 V HN -0.062 nan 8.190 nan 0.000 0.441 699 E N 1.208 121.573 120.200 0.275 0.000 2.156 699 E HA 0.472 4.812 4.350 -0.017 0.000 0.279 699 E C -1.939 175.023 176.600 0.604 0.000 0.965 699 E CA -0.394 56.238 56.400 0.387 0.000 0.789 699 E CB 1.926 31.787 29.700 0.269 0.000 1.098 699 E HN 0.691 nan 8.360 nan 0.000 0.397 700 Y N 3.384 123.951 120.300 0.444 0.000 2.409 700 Y HA 0.432 4.972 4.550 -0.017 0.000 0.343 700 Y C -1.566 174.440 175.900 0.177 0.000 0.973 700 Y CA -1.137 57.174 58.100 0.352 0.000 1.064 700 Y CB 1.013 39.706 38.460 0.388 0.000 1.207 700 Y HN 0.437 nan 8.280 nan 0.000 0.452 701 L N 7.960 128.951 121.223 -0.386 0.000 2.319 701 L HA 0.488 4.818 4.340 -0.017 0.000 0.281 701 L C -1.675 174.768 176.870 -0.711 0.000 1.005 701 L CA -0.756 53.701 54.840 -0.638 0.000 0.828 701 L CB 1.130 42.517 42.059 -1.120 0.000 1.227 701 L HN 0.664 nan 8.230 nan 0.000 0.415 702 L N 6.438 127.313 121.223 -0.579 0.000 2.296 702 L HA 0.604 4.934 4.340 -0.017 0.000 0.286 702 L C -0.955 175.790 176.870 -0.209 0.000 1.023 702 L CA -0.509 54.042 54.840 -0.483 0.000 0.812 702 L CB 1.681 43.486 42.059 -0.424 0.000 1.223 702 L HN 0.610 nan 8.230 nan 0.000 0.421 703 I N 3.475 123.938 120.570 -0.177 0.000 2.582 703 I HA 0.423 4.583 4.170 -0.017 0.000 0.292 703 I C -1.166 174.946 176.117 -0.007 0.000 1.066 703 I CA -0.671 60.581 61.300 -0.081 0.000 1.053 703 I CB 2.361 40.275 38.000 -0.144 0.000 1.241 703 I HN 0.619 nan 8.210 nan 0.000 0.421 704 H N 2.118 121.247 119.070 0.099 0.000 3.079 704 H HA 0.530 5.076 4.556 -0.016 0.000 0.356 704 H C -0.400 175.165 175.328 0.396 0.000 1.221 704 H CA -0.608 55.548 56.048 0.179 0.000 1.185 704 H CB 2.133 31.939 29.762 0.074 0.000 1.882 704 H HN 0.745 nan 8.280 nan 0.000 0.543 705 G N 0.743 109.903 108.800 0.601 0.000 2.372 705 G HA2 0.218 4.169 3.960 -0.017 0.000 0.283 705 G HA3 0.218 4.169 3.960 -0.017 0.000 0.283 705 G C 1.087 176.283 174.900 0.494 0.000 1.177 705 G CA 0.121 45.524 45.100 0.505 0.000 0.842 705 G HN 0.748 nan 8.290 nan 0.000 0.503 706 T N -0.705 113.990 114.554 0.235 0.000 3.035 706 T HA 0.122 4.462 4.350 -0.017 0.000 0.268 706 T C 1.626 176.318 174.700 -0.012 0.000 1.109 706 T CA 1.194 63.248 62.100 -0.078 0.000 1.119 706 T CB 0.213 68.948 68.868 -0.222 0.000 0.900 706 T HN 0.671 nan 8.240 nan 0.000 0.503 707 A N 0.960 123.848 122.820 0.113 0.000 2.610 707 A HA 0.312 4.622 4.320 -0.017 0.000 0.286 707 A C 0.363 177.936 177.584 -0.019 0.000 1.306 707 A CA -0.526 51.557 52.037 0.076 0.000 0.942 707 A CB -0.223 19.077 19.000 0.501 0.000 1.112 707 A HN 0.387 nan 8.150 nan 0.000 0.527 708 D N 1.564 121.975 120.400 0.018 0.000 2.346 708 D HA -0.012 4.618 4.640 -0.017 0.000 0.260 708 D C 0.250 176.517 176.300 -0.055 0.000 1.252 708 D CA 0.230 54.330 54.000 0.166 0.000 0.895 708 D CB 0.744 41.790 40.800 0.411 0.000 1.097 708 D HN 0.561 nan 8.370 nan 0.000 0.489 709 D N 2.443 122.874 120.400 0.051 0.000 2.348 709 D HA -0.123 4.507 4.640 -0.017 0.000 0.211 709 D C 0.925 177.172 176.300 -0.090 0.000 0.998 709 D CA -0.092 53.887 54.000 -0.035 0.000 0.873 709 D CB 0.407 41.140 40.800 -0.113 0.000 0.925 709 D HN 0.217 nan 8.370 nan 0.000 0.524 710 N N 0.760 119.505 118.700 0.076 0.000 2.324 710 N HA -0.036 4.694 4.740 -0.017 0.000 0.192 710 N C -0.038 175.414 175.510 -0.097 0.000 1.046 710 N CA 0.522 53.663 53.050 0.152 0.000 0.898 710 N CB 0.520 39.113 38.487 0.178 0.000 1.079 710 N HN -0.100 nan 8.380 nan 0.000 0.456 711 V N 4.096 123.943 119.914 -0.111 0.000 2.288 711 V HA 0.185 4.295 4.120 -0.017 0.000 0.266 711 V C -0.676 175.449 176.094 0.052 0.000 1.048 711 V CA -0.686 61.586 62.300 -0.047 0.000 0.842 711 V CB -0.055 31.781 31.823 0.022 0.000 1.064 711 V HN 0.301 nan 8.190 nan 0.000 0.472 712 H N 3.571 122.593 119.070 -0.079 0.000 3.064 712 H HA -0.049 4.497 4.556 -0.017 0.000 0.329 712 H C 0.953 176.108 175.328 -0.290 0.000 1.020 712 H CA -0.025 55.897 56.048 -0.211 0.000 1.402 712 H CB 0.436 30.005 29.762 -0.321 0.000 1.379 712 H HN 0.618 nan 8.280 nan 0.000 0.594 713 F N 2.365 122.098 119.950 -0.363 0.000 2.176 713 F HA -0.327 4.188 4.527 -0.019 0.000 0.301 713 F C 2.548 178.065 175.800 -0.470 0.000 1.071 713 F CA 2.037 59.646 58.000 -0.652 0.000 1.289 713 F CB -0.112 38.691 39.000 -0.329 0.000 1.028 713 F HN 0.682 nan 8.300 nan 0.000 0.494 714 Q N 0.161 119.806 119.800 -0.257 0.000 2.118 714 Q HA -0.339 3.991 4.340 -0.017 0.000 0.211 714 Q C 2.127 177.865 176.000 -0.436 0.000 0.998 714 Q CA 2.529 58.129 55.803 -0.338 0.000 0.872 714 Q CB -0.388 28.121 28.738 -0.382 0.000 0.925 714 Q HN 0.617 nan 8.270 nan 0.000 0.414 715 Q N -0.343 119.238 119.800 -0.365 0.000 2.061 715 Q HA -0.133 4.197 4.340 -0.017 0.000 0.204 715 Q C 2.276 178.153 176.000 -0.205 0.000 0.984 715 Q CA 1.793 57.499 55.803 -0.161 0.000 0.846 715 Q CB -0.124 28.606 28.738 -0.014 0.000 0.902 715 Q HN 0.344 nan 8.270 nan 0.000 0.421 716 S N 0.688 116.156 115.700 -0.385 0.000 2.428 716 S HA -0.008 4.452 4.470 -0.017 0.000 0.230 716 S C 2.002 176.338 174.600 -0.441 0.000 1.014 716 S CA 0.687 58.670 58.200 -0.362 0.000 0.957 716 S CB -0.070 62.898 63.200 -0.387 0.000 0.784 716 S HN 0.455 nan 8.310 nan 0.000 0.499 717 A N 1.278 123.746 122.820 -0.587 0.000 1.972 717 A HA -0.099 4.211 4.320 -0.017 0.000 0.219 717 A C 2.111 179.583 177.584 -0.186 0.000 1.169 717 A CA 1.013 52.834 52.037 -0.360 0.000 0.635 717 A CB -0.314 18.537 19.000 -0.249 0.000 0.810 717 A HN 0.344 nan 8.150 nan 0.000 0.446 718 Q N -0.548 119.152 119.800 -0.167 0.000 2.245 718 Q HA 0.066 4.396 4.340 -0.017 0.000 0.201 718 Q C 2.042 177.986 176.000 -0.093 0.000 0.955 718 Q CA 0.725 56.485 55.803 -0.071 0.000 0.870 718 Q CB -0.186 28.582 28.738 0.049 0.000 0.945 718 Q HN 0.769 nan 8.270 nan 0.000 0.461 719 I N 0.990 121.475 120.570 -0.143 0.000 2.193 719 I HA -0.249 3.911 4.170 -0.017 0.000 0.240 719 I C 2.506 178.454 176.117 -0.281 0.000 1.084 719 I CA 1.382 62.555 61.300 -0.210 0.000 1.365 719 I CB -0.422 37.454 38.000 -0.206 0.000 1.064 719 I HN 0.177 nan 8.210 nan 0.000 0.410 720 S N 1.026 116.590 115.700 -0.226 0.000 2.370 720 S HA -0.289 4.171 4.470 -0.017 0.000 0.226 720 S C 2.032 176.612 174.600 -0.033 0.000 1.033 720 S CA 1.551 59.668 58.200 -0.138 0.000 1.011 720 S CB -0.484 62.802 63.200 0.143 0.000 0.852 720 S HN 0.376 nan 8.310 nan 0.000 0.457 721 K N 1.588 121.965 120.400 -0.039 0.000 2.148 721 K HA 0.085 4.395 4.320 -0.017 0.000 0.204 721 K C 2.187 178.769 176.600 -0.030 0.000 1.050 721 K CA 1.035 57.316 56.287 -0.010 0.000 0.942 721 K CB -0.569 31.922 32.500 -0.015 0.000 0.724 721 K HN 0.470 nan 8.250 nan 0.000 0.446 722 A N 0.825 123.597 122.820 -0.080 0.000 1.968 722 A HA -0.015 4.295 4.320 -0.017 0.000 0.217 722 A C 2.004 179.526 177.584 -0.104 0.000 1.169 722 A CA 0.808 52.794 52.037 -0.085 0.000 0.638 722 A CB -0.371 18.564 19.000 -0.109 0.000 0.812 722 A HN 0.286 nan 8.150 nan 0.000 0.446 723 L N -0.617 120.497 121.223 -0.182 0.000 2.056 723 L HA -0.127 4.203 4.340 -0.017 0.000 0.207 723 L C 2.508 179.397 176.870 0.032 0.000 1.078 723 L CA 0.930 55.663 54.840 -0.178 0.000 0.749 723 L CB -0.526 41.228 42.059 -0.507 0.000 0.901 723 L HN 0.231 nan 8.230 nan 0.000 0.433 724 V N -0.062 119.911 119.914 0.098 0.000 2.332 724 V HA -0.300 3.810 4.120 -0.017 0.000 0.248 724 V C 2.005 178.139 176.094 0.068 0.000 1.055 724 V CA 1.895 64.273 62.300 0.130 0.000 1.038 724 V CB -0.548 31.349 31.823 0.123 0.000 0.651 724 V HN 0.447 nan 8.190 nan 0.000 0.450 725 D N 0.292 120.713 120.400 0.035 0.000 2.263 725 D HA -0.104 4.526 4.640 -0.017 0.000 0.208 725 D C 1.759 178.075 176.300 0.026 0.000 0.971 725 D CA 1.662 55.677 54.000 0.024 0.000 0.867 725 D CB -0.080 40.726 40.800 0.010 0.000 0.929 725 D HN 0.578 nan 8.370 nan 0.000 0.492 726 V N -3.879 116.052 119.914 0.028 0.000 3.578 726 V HA 0.496 4.606 4.120 -0.017 0.000 0.290 726 V C 1.204 177.329 176.094 0.053 0.000 1.376 726 V CA 0.208 62.529 62.300 0.034 0.000 1.083 726 V CB -0.077 31.765 31.823 0.030 0.000 0.911 726 V HN 0.120 nan 8.190 nan 0.000 0.433 727 G N 0.628 109.467 108.800 0.066 0.000 2.298 727 G HA2 -0.144 3.806 3.960 -0.017 0.000 0.287 727 G HA3 -0.144 3.806 3.960 -0.017 0.000 0.287 727 G C -0.128 174.836 174.900 0.107 0.000 1.075 727 G CA 0.450 45.599 45.100 0.081 0.000 0.960 727 G HN 1.629 nan 8.290 nan 0.000 0.502 728 V N -0.632 119.368 119.914 0.144 0.000 2.459 728 V HA 0.732 4.842 4.120 -0.017 0.000 0.295 728 V C 0.068 176.346 176.094 0.305 0.000 1.029 728 V CA -0.672 61.742 62.300 0.190 0.000 0.874 728 V CB 1.858 33.788 31.823 0.179 0.000 0.985 728 V HN 0.345 nan 8.190 nan 0.000 0.438 729 D N 5.251 125.810 120.400 0.265 0.000 2.304 729 D HA 0.601 5.231 4.640 -0.017 0.000 0.247 729 D C -0.550 176.001 176.300 0.418 0.000 1.089 729 D CA 0.336 54.486 54.000 0.250 0.000 0.910 729 D CB 0.939 41.818 40.800 0.131 0.000 1.199 729 D HN 0.628 nan 8.370 nan 0.000 0.426 730 F N -0.282 119.750 119.950 0.136 0.000 2.817 730 F HA 0.481 4.998 4.527 -0.017 0.000 0.317 730 F C -1.524 174.340 175.800 0.107 0.000 1.168 730 F CA -1.125 56.980 58.000 0.174 0.000 0.911 730 F CB 0.697 39.834 39.000 0.229 0.000 1.337 730 F HN 0.077 nan 8.300 nan 0.000 0.464 731 Q N 1.254 121.139 119.800 0.142 0.000 2.257 731 Q HA 0.845 5.175 4.340 -0.017 0.000 0.262 731 Q C -0.871 175.118 176.000 -0.018 0.000 0.997 731 Q CA -0.784 55.009 55.803 -0.017 0.000 0.873 731 Q CB 2.131 30.907 28.738 0.064 0.000 1.312 731 Q HN 1.075 nan 8.270 nan 0.000 0.450 732 A N 1.468 124.243 122.820 -0.076 0.000 2.556 732 A HA 0.857 5.167 4.320 -0.017 0.000 0.294 732 A C -1.427 176.085 177.584 -0.120 0.000 1.091 732 A CA -0.561 51.459 52.037 -0.028 0.000 0.704 732 A CB 1.979 21.021 19.000 0.069 0.000 1.300 732 A HN 0.607 nan 8.150 nan 0.000 0.406 733 M N 1.218 120.735 119.600 -0.138 0.000 2.255 733 M HA 0.586 5.056 4.480 -0.017 0.000 0.275 733 M C -2.043 174.115 176.300 -0.237 0.000 1.050 733 M CA -0.548 54.521 55.300 -0.386 0.000 0.978 733 M CB 1.117 33.392 32.600 -0.541 0.000 1.761 733 M HN 0.948 nan 8.290 nan 0.000 0.479 734 W N 4.171 125.289 121.300 -0.303 0.000 2.578 734 W HA 0.782 5.434 4.660 -0.013 0.000 0.346 734 W C -2.022 174.214 176.519 -0.471 0.000 1.075 734 W CA -0.845 56.412 57.345 -0.146 0.000 1.233 734 W CB 0.439 29.863 29.460 -0.060 0.000 1.358 734 W HN 0.605 nan 8.180 nan 0.000 0.574 735 Y N 2.257 122.684 120.300 0.212 0.000 2.388 735 Y HA 0.303 4.845 4.550 -0.013 0.000 0.328 735 Y C 0.463 176.468 175.900 0.173 0.000 0.963 735 Y CA -1.157 56.982 58.100 0.065 0.000 1.240 735 Y CB 1.354 39.833 38.460 0.033 0.000 1.118 735 Y HN 0.430 nan 8.280 nan 0.000 0.484 736 T N 4.641 119.351 114.554 0.260 0.000 2.831 736 T HA -0.024 4.316 4.350 -0.017 0.000 0.291 736 T C 0.195 174.975 174.700 0.133 0.000 0.981 736 T CA 0.658 62.871 62.100 0.187 0.000 1.174 736 T CB -0.130 68.793 68.868 0.092 0.000 0.929 736 T HN 0.699 nan 8.240 nan 0.000 0.532 737 D N 0.756 121.213 120.400 0.095 0.000 3.046 737 D HA -0.125 4.505 4.640 -0.017 0.000 0.210 737 D C 0.325 176.762 176.300 0.229 0.000 1.124 737 D CA 1.202 55.205 54.000 0.005 0.000 0.986 737 D CB -0.362 40.253 40.800 -0.308 0.000 1.118 737 D HN 0.566 nan 8.370 nan 0.000 0.416 738 E N 0.729 121.083 120.200 0.257 0.000 2.283 738 E HA 0.364 4.704 4.350 -0.017 0.000 0.271 738 E C 0.751 177.543 176.600 0.320 0.000 1.031 738 E CA -0.289 56.281 56.400 0.283 0.000 0.868 738 E CB 1.280 31.134 29.700 0.258 0.000 1.094 738 E HN 0.336 nan 8.360 nan 0.000 0.401 739 D N -0.656 119.943 120.400 0.330 0.000 2.538 739 D HA 0.004 4.634 4.640 -0.017 0.000 0.262 739 D C 1.074 177.611 176.300 0.394 0.000 1.186 739 D CA -0.166 54.052 54.000 0.364 0.000 1.090 739 D CB -0.284 40.758 40.800 0.402 0.000 1.187 739 D HN 0.394 nan 8.370 nan 0.000 0.614 740 H N -1.569 117.687 119.070 0.310 0.000 2.489 740 H HA 0.115 4.660 4.556 -0.017 0.000 0.293 740 H C 1.838 177.416 175.328 0.417 0.000 1.066 740 H CA 2.029 58.277 56.048 0.333 0.000 1.305 740 H CB -0.354 29.588 29.762 0.301 0.000 1.386 740 H HN 0.481 nan 8.280 nan 0.000 0.551 741 G N -0.469 108.499 108.800 0.281 0.000 2.744 741 G HA2 0.035 3.985 3.960 -0.017 0.000 0.211 741 G HA3 0.035 3.985 3.960 -0.017 0.000 0.211 741 G C 0.584 175.679 174.900 0.325 0.000 1.146 741 G CA 0.236 45.433 45.100 0.162 0.000 0.787 741 G HN 0.489 nan 8.290 nan 0.000 0.534 742 I N 0.166 120.943 120.570 0.345 0.000 5.071 742 I HA -0.319 3.841 4.170 -0.017 0.000 0.126 742 I C 1.428 177.683 176.117 0.230 0.000 1.290 742 I CA 0.175 61.623 61.300 0.246 0.000 2.644 742 I CB -1.094 37.018 38.000 0.187 0.000 2.208 742 I HN 0.259 nan 8.210 nan 0.000 0.322 743 A N 1.485 124.411 122.820 0.177 0.000 2.431 743 A HA 0.318 4.628 4.320 -0.017 0.000 0.239 743 A C 1.134 178.772 177.584 0.091 0.000 1.230 743 A CA 0.522 52.631 52.037 0.119 0.000 0.928 743 A CB 0.197 19.233 19.000 0.060 0.000 1.006 743 A HN 0.639 nan 8.150 nan 0.000 0.520 744 S N -0.461 115.305 115.700 0.110 0.000 2.576 744 S HA 0.157 4.617 4.470 -0.017 0.000 0.272 744 S C 1.261 175.915 174.600 0.091 0.000 1.352 744 S CA 0.382 58.638 58.200 0.094 0.000 1.021 744 S CB 1.020 64.283 63.200 0.104 0.000 0.887 744 S HN 0.470 nan 8.310 nan 0.000 0.542 745 S N 1.640 117.380 115.700 0.066 0.000 2.359 745 S HA -0.198 4.262 4.470 -0.017 0.000 0.223 745 S C 2.123 176.783 174.600 0.099 0.000 1.039 745 S CA 2.387 60.628 58.200 0.068 0.000 1.042 745 S CB -1.630 61.592 63.200 0.037 0.000 0.915 745 S HN 1.049 nan 8.310 nan 0.000 0.439 746 T N -0.182 114.421 114.554 0.081 0.000 2.777 746 T HA 0.152 4.492 4.350 -0.017 0.000 0.266 746 T C 1.964 176.723 174.700 0.098 0.000 1.040 746 T CA 1.340 63.491 62.100 0.085 0.000 1.141 746 T CB -0.902 68.007 68.868 0.069 0.000 0.868 746 T HN 0.464 nan 8.240 nan 0.000 0.444 747 A N 1.431 124.292 122.820 0.069 0.000 1.930 747 A HA -0.075 4.235 4.320 -0.017 0.000 0.217 747 A C 2.207 179.751 177.584 -0.068 0.000 1.175 747 A CA 1.950 53.961 52.037 -0.043 0.000 0.627 747 A CB -1.202 17.751 19.000 -0.079 0.000 0.815 747 A HN 0.751 nan 8.150 nan 0.000 0.443 748 H N -0.201 118.860 119.070 -0.016 0.000 2.353 748 H HA -0.114 4.432 4.556 -0.017 0.000 0.300 748 H C 2.084 177.490 175.328 0.131 0.000 1.090 748 H CA 2.292 58.388 56.048 0.080 0.000 1.327 748 H CB -0.187 29.621 29.762 0.077 0.000 1.383 748 H HN 0.570 nan 8.280 nan 0.000 0.508 749 Q N -1.081 118.726 119.800 0.011 0.000 2.119 749 Q HA -0.171 4.159 4.340 -0.017 0.000 0.201 749 Q C 2.150 178.133 176.000 -0.028 0.000 0.972 749 Q CA 1.250 57.017 55.803 -0.060 0.000 0.847 749 Q CB -0.134 28.608 28.738 0.008 0.000 0.903 749 Q HN 0.632 nan 8.270 nan 0.000 0.433 750 H N 0.654 119.695 119.070 -0.049 0.000 2.357 750 H HA -0.047 4.499 4.556 -0.016 0.000 0.301 750 H C 1.980 177.301 175.328 -0.011 0.000 1.082 750 H CA 1.146 57.199 56.048 0.008 0.000 1.342 750 H CB 0.043 29.863 29.762 0.097 0.000 1.389 750 H HN 0.273 nan 8.280 nan 0.000 0.511 751 I N 0.024 120.566 120.570 -0.047 0.000 2.252 751 I HA -0.302 3.858 4.170 -0.017 0.000 0.245 751 I C 1.734 177.592 176.117 -0.432 0.000 1.102 751 I CA 1.096 62.271 61.300 -0.209 0.000 1.385 751 I CB -0.249 37.420 38.000 -0.552 0.000 1.064 751 I HN 0.111 nan 8.210 nan 0.000 0.414 752 Y N 0.976 121.062 120.300 -0.357 0.000 2.242 752 Y HA -0.198 4.343 4.550 -0.016 0.000 0.291 752 Y C 2.724 178.408 175.900 -0.360 0.000 1.137 752 Y CA 1.876 59.654 58.100 -0.536 0.000 1.181 752 Y CB -0.849 37.305 38.460 -0.510 0.000 0.989 752 Y HN 0.141 nan 8.280 nan 0.000 0.527 753 T N -1.602 112.864 114.554 -0.148 0.000 2.708 753 T HA -0.238 4.102 4.350 -0.017 0.000 0.266 753 T C 1.580 176.138 174.700 -0.238 0.000 1.037 753 T CA 1.896 63.871 62.100 -0.209 0.000 1.146 753 T CB -0.480 68.266 68.868 -0.203 0.000 0.865 753 T HN 0.410 nan 8.240 nan 0.000 0.435 754 H N 0.830 119.768 119.070 -0.219 0.000 2.353 754 H HA 0.081 4.627 4.556 -0.016 0.000 0.300 754 H C 2.158 177.463 175.328 -0.039 0.000 1.090 754 H CA 1.624 57.624 56.048 -0.080 0.000 1.327 754 H CB -0.258 29.459 29.762 -0.075 0.000 1.383 754 H HN 0.264 nan 8.280 nan 0.000 0.508 755 M N -0.902 118.612 119.600 -0.143 0.000 2.229 755 M HA -0.143 4.327 4.480 -0.017 0.000 0.264 755 M C 2.379 178.761 176.300 0.137 0.000 1.063 755 M CA 1.399 56.612 55.300 -0.144 0.000 1.114 755 M CB 0.112 32.376 32.600 -0.561 0.000 1.387 755 M HN 0.194 nan 8.290 nan 0.000 0.420 756 S N -0.718 115.073 115.700 0.152 0.000 2.368 756 S HA -0.135 4.325 4.470 -0.017 0.000 0.224 756 S C 1.697 176.374 174.600 0.127 0.000 1.029 756 S CA 0.925 59.321 58.200 0.326 0.000 0.988 756 S CB -0.530 62.863 63.200 0.322 0.000 0.838 756 S HN 0.463 nan 8.310 nan 0.000 0.462 757 H N -0.070 119.048 119.070 0.081 0.000 2.387 757 H HA -0.050 4.496 4.556 -0.017 0.000 0.299 757 H C 1.932 177.264 175.328 0.007 0.000 1.099 757 H CA 1.264 57.318 56.048 0.011 0.000 1.315 757 H CB -0.665 29.046 29.762 -0.085 0.000 1.380 757 H HN 0.454 nan 8.280 nan 0.000 0.513 758 F N 0.937 120.868 119.950 -0.032 0.000 2.146 758 F HA -0.154 4.363 4.527 -0.017 0.000 0.298 758 F C 2.218 177.972 175.800 -0.077 0.000 1.096 758 F CA 0.718 58.676 58.000 -0.070 0.000 1.275 758 F CB -0.160 38.778 39.000 -0.104 0.000 1.008 758 F HN -0.048 nan 8.300 nan 0.000 0.480 759 I N 0.909 121.509 120.570 0.051 0.000 2.202 759 I HA -0.254 3.906 4.170 -0.017 0.000 0.242 759 I C 2.215 178.151 176.117 -0.301 0.000 1.091 759 I CA 1.428 62.587 61.300 -0.234 0.000 1.368 759 I CB -1.332 36.604 38.000 -0.106 0.000 1.058 759 I HN 0.185 nan 8.210 nan 0.000 0.410 760 K N 0.317 120.683 120.400 -0.056 0.000 2.103 760 K HA -0.233 4.077 4.320 -0.017 0.000 0.207 760 K C 2.012 178.612 176.600 0.000 0.000 1.048 760 K CA 1.146 57.452 56.287 0.031 0.000 0.930 760 K CB -0.287 32.273 32.500 0.100 0.000 0.716 760 K HN 0.399 nan 8.250 nan 0.000 0.444 761 Q N 1.454 121.211 119.800 -0.073 0.000 2.083 761 Q HA -0.164 4.166 4.340 -0.017 0.000 0.198 761 Q C 2.253 178.167 176.000 -0.142 0.000 0.969 761 Q CA 1.628 57.375 55.803 -0.094 0.000 0.838 761 Q CB -0.509 28.157 28.738 -0.119 0.000 0.900 761 Q HN 0.402 nan 8.270 nan 0.000 0.436 762 c N 0.273 118.687 118.600 -0.310 0.000 2.432 762 c HA -0.028 4.532 4.570 -0.017 0.000 0.280 762 c C 2.111 176.235 174.090 0.056 0.000 1.353 762 c CA 0.248 56.419 56.329 -0.264 0.000 1.766 762 c CB -1.333 40.865 42.510 -0.519 0.000 1.924 762 c HN 0.498 nan 8.230 nan 0.000 0.509 763 F N 1.780 121.696 119.950 -0.055 0.000 2.765 763 F HA 0.250 4.767 4.527 -0.016 0.000 0.302 763 F C 1.571 177.361 175.800 -0.018 0.000 1.111 763 F CA 0.384 58.372 58.000 -0.019 0.000 1.359 763 F CB -1.154 37.845 39.000 -0.003 0.000 1.097 763 F HN 0.219 nan 8.300 nan 0.000 0.577 764 S N 0.687 116.477 115.700 0.150 0.000 3.667 764 S HA -0.195 4.265 4.470 -0.017 0.000 0.405 764 S C 0.771 175.416 174.600 0.076 0.000 0.913 764 S CA 0.210 58.457 58.200 0.078 0.000 1.288 764 S CB -2.028 61.205 63.200 0.055 0.000 0.905 764 S HN 0.238 nan 8.310 nan 0.000 0.550 765 L N 1.165 122.440 121.223 0.088 0.000 2.378 765 L HA 0.419 4.749 4.340 -0.017 0.000 0.195 765 L C -0.166 176.737 176.870 0.055 0.000 1.287 765 L CA 0.075 54.961 54.840 0.076 0.000 1.364 765 L CB -1.122 40.996 42.059 0.100 0.000 1.310 765 L HN 0.439 nan 8.230 nan 0.000 0.732 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.150 63.100 0.082 0.000 0.800 766 P CB 0.000 31.749 31.700 0.081 0.000 0.726