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 2oqi_1_A DATA FIRST_RESID 39 DATA SEQUENCE SRKTYTLTDY LKNTYRLKLY SLRWISDHEY LYKQENNILV FNAEYGNSSV DATA SEQUENCE FLENSTFDEF GHSINDYSIS PDGQFILLEY NYVKQWRHSY TASYDIYDLN DATA SEQUENCE KRQLITEERI PNNTQWVTWS PVGHKLAYVW NNDIYVKIEP NLPSYRITWT DATA SEQUENCE GKEDIIYNGI TDWVYEEEVF SAYSALWWSP NGTFLAYAQF NDTEVPLIEY DATA SEQUENCE SFYSDESLQY PKTVRVPYPK AGAVNPTVKF FVVNTDSLSS VTNATSIQIT DATA SEQUENCE APASMLIGDH YLCDVTWATQ ERISLQWLRR IQNYSVMDIc DYDESSGRWN DATA SEQUENCE cLVARQHIEM STTGWVGRFR PSEPHFTLDG NSFYKIISNE EGYRHIcYFQ DATA SEQUENCE IDKKDcTFIT KGTWEVIGIE ALTSDYLYYI SNEYKGMPGG RNLYKIQLSD DATA SEQUENCE YTKVTCLSCE LNPERcQYYS VSFSKEAKYY QLRcSGPGLP LYTLHSSVND DATA SEQUENCE KGLRVLEDNS ALDKMLQNVQ MPSKKLDFII LNETKFWYQM ILPPHFDKSK DATA SEQUENCE KYPLLLDVYA GPCSQKADTV FRLNWATYLA STENIIVASF DGRGSGYQGD DATA SEQUENCE KIMHAINRRL GTFEVEDQIE AARQFSKMGF VDNKRIAIWG WSYGGYVTSM DATA SEQUENCE VLGSGSGVFK cGIAVAPVSR WEYYDSVYTE RYMGLPTPED NLDHYRNSTV DATA SEQUENCE MSRAENFKQV EYLLIHGTAD DNVHFQQSAQ ISKALVDVGV DFQAMWYTDE DATA SEQUENCE DHGIASSTAH QHIYTHMSHF IKQcFS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 39 S HA 0.000 nan 4.470 nan 0.000 0.327 39 S C 0.000 174.654 174.600 0.090 0.000 1.055 39 S CA 0.000 58.263 58.200 0.105 0.000 1.107 39 S CB 0.000 63.286 63.200 0.144 0.000 0.593 40 R N 1.493 122.039 120.500 0.077 0.000 2.770 40 R HA -0.176 4.164 4.340 -0.001 0.000 0.309 40 R C 0.623 176.972 176.300 0.081 0.000 0.534 40 R CA 1.815 57.959 56.100 0.074 0.000 1.085 40 R CB -1.162 29.182 30.300 0.073 0.000 0.541 40 R HN 0.791 nan 8.270 nan 0.000 0.498 41 K N 0.183 120.637 120.400 0.091 0.000 2.349 41 K HA 0.462 4.782 4.320 -0.001 0.000 0.243 41 K C -0.616 176.051 176.600 0.112 0.000 1.058 41 K CA -0.270 56.078 56.287 0.102 0.000 0.871 41 K CB 1.589 34.155 32.500 0.111 0.000 1.337 41 K HN 0.754 nan 8.250 nan 0.000 0.469 42 T N -2.750 111.882 114.554 0.130 0.000 2.938 42 T HA 0.318 4.667 4.350 -0.001 0.000 0.285 42 T C -0.599 174.243 174.700 0.238 0.000 1.028 42 T CA -0.631 61.562 62.100 0.156 0.000 1.005 42 T CB 0.537 69.487 68.868 0.136 0.000 1.157 42 T HN 0.429 nan 8.240 nan 0.000 0.550 43 Y N 2.897 123.282 120.300 0.141 0.000 2.624 43 Y HA 0.341 4.890 4.550 -0.002 0.000 0.354 43 Y C 1.120 177.182 175.900 0.270 0.000 1.051 43 Y CA -0.349 57.879 58.100 0.214 0.000 1.377 43 Y CB -0.553 37.999 38.460 0.154 0.000 1.168 43 Y HN 0.996 nan 8.280 nan 0.000 0.525 44 T N 1.962 116.506 114.554 -0.017 0.000 2.788 44 T HA 0.099 4.448 4.350 -0.001 0.000 0.280 44 T C 1.056 175.595 174.700 -0.268 0.000 0.984 44 T CA -0.600 61.502 62.100 0.003 0.000 0.972 44 T CB 0.999 69.845 68.868 -0.037 0.000 1.039 44 T HN 0.639 nan 8.240 nan 0.000 0.530 45 L N 0.743 121.623 121.223 -0.571 0.000 2.056 45 L HA 0.055 4.394 4.340 -0.001 0.000 0.207 45 L C 2.633 179.318 176.870 -0.307 0.000 1.078 45 L CA 2.076 56.463 54.840 -0.756 0.000 0.749 45 L CB -1.516 39.966 42.059 -0.961 0.000 0.901 45 L HN 0.945 nan 8.230 nan 0.000 0.433 46 T N -0.456 113.949 114.554 -0.248 0.000 2.833 46 T HA -0.154 4.195 4.350 -0.001 0.000 0.269 46 T C 1.458 176.040 174.700 -0.197 0.000 1.054 46 T CA 1.428 63.422 62.100 -0.177 0.000 1.135 46 T CB -0.367 68.422 68.868 -0.132 0.000 0.869 46 T HN 0.398 nan 8.240 nan 0.000 0.466 47 D N 0.098 120.334 120.400 -0.273 0.000 2.117 47 D HA -0.076 4.563 4.640 -0.001 0.000 0.197 47 D C 1.716 177.876 176.300 -0.234 0.000 0.987 47 D CA 0.951 54.743 54.000 -0.346 0.000 0.829 47 D CB -0.317 40.150 40.800 -0.555 0.000 0.961 47 D HN 0.430 nan 8.370 nan 0.000 0.460 48 Y N 1.432 121.517 120.300 -0.357 0.000 2.184 48 Y HA -0.065 4.484 4.550 -0.001 0.000 0.290 48 Y C 2.140 178.029 175.900 -0.018 0.000 1.129 48 Y CA 1.170 59.238 58.100 -0.054 0.000 1.144 48 Y CB -0.530 37.952 38.460 0.037 0.000 0.995 48 Y HN -0.113 nan 8.280 nan 0.000 0.513 49 L N -0.146 120.893 121.223 -0.306 0.000 2.109 49 L HA -0.139 4.201 4.340 -0.001 0.000 0.207 49 L C 1.962 178.717 176.870 -0.191 0.000 1.086 49 L CA 1.219 55.856 54.840 -0.337 0.000 0.760 49 L CB -0.436 41.502 42.059 -0.202 0.000 0.910 49 L HN 0.024 nan 8.230 nan 0.000 0.437 50 K N -0.020 120.290 120.400 -0.149 0.000 2.404 50 K HA 0.037 4.356 4.320 -0.001 0.000 0.194 50 K C 0.151 176.694 176.600 -0.096 0.000 1.023 50 K CA -0.036 56.185 56.287 -0.109 0.000 1.094 50 K CB -0.556 31.881 32.500 -0.106 0.000 0.841 50 K HN 0.291 nan 8.250 nan 0.000 0.523 51 N N 1.479 120.128 118.700 -0.086 0.000 2.714 51 N HA -0.218 4.522 4.740 -0.001 0.000 0.253 51 N C 0.336 175.818 175.510 -0.047 0.000 1.024 51 N CA 0.414 53.453 53.050 -0.020 0.000 0.726 51 N CB -0.390 38.090 38.487 -0.012 0.000 0.908 51 N HN 0.324 nan 8.380 nan 0.000 0.542 52 T N -2.735 111.724 114.554 -0.158 0.000 2.995 52 T HA -0.102 4.247 4.350 -0.001 0.000 0.269 52 T C 0.442 174.945 174.700 -0.328 0.000 1.091 52 T CA 1.014 62.929 62.100 -0.310 0.000 1.128 52 T CB -0.089 68.468 68.868 -0.518 0.000 0.891 52 T HN 0.340 nan 8.240 nan 0.000 0.492 53 Y N 1.820 122.208 120.300 0.146 0.000 2.721 53 Y HA 0.631 5.180 4.550 -0.001 0.000 0.328 53 Y C 0.321 176.323 175.900 0.171 0.000 1.003 53 Y CA -2.118 56.091 58.100 0.181 0.000 1.275 53 Y CB 0.554 39.181 38.460 0.279 0.000 1.097 53 Y HN -0.019 nan 8.280 nan 0.000 0.514 54 R N 2.960 123.603 120.500 0.237 0.000 2.234 54 R HA 0.410 4.749 4.340 -0.001 0.000 0.324 54 R C -0.905 175.503 176.300 0.180 0.000 1.054 54 R CA -0.188 56.016 56.100 0.174 0.000 0.912 54 R CB 0.265 30.630 30.300 0.108 0.000 1.030 54 R HN 0.712 nan 8.270 nan 0.000 0.455 55 L N 4.656 125.989 121.223 0.183 0.000 2.416 55 L HA 0.193 4.532 4.340 -0.001 0.000 0.272 55 L C 0.427 177.383 176.870 0.143 0.000 1.161 55 L CA 0.213 55.164 54.840 0.186 0.000 0.845 55 L CB 0.776 42.962 42.059 0.212 0.000 1.119 55 L HN 0.552 nan 8.230 nan 0.000 0.464 56 K N 3.948 124.431 120.400 0.138 0.000 2.143 56 K HA 0.609 4.928 4.320 -0.001 0.000 0.272 56 K C -0.635 176.014 176.600 0.082 0.000 1.001 56 K CA -0.490 55.855 56.287 0.097 0.000 0.915 56 K CB 1.397 33.952 32.500 0.092 0.000 1.047 56 K HN 0.417 nan 8.250 nan 0.000 0.458 57 L N 1.280 122.481 121.223 -0.037 0.000 2.293 57 L HA 0.528 4.867 4.340 -0.001 0.000 0.264 57 L C -1.009 175.614 176.870 -0.413 0.000 1.029 57 L CA -1.152 53.533 54.840 -0.258 0.000 0.897 57 L CB 0.788 42.779 42.059 -0.113 0.000 1.497 57 L HN 0.560 nan 8.230 nan 0.000 0.495 58 Y N 0.172 120.009 120.300 -0.772 0.000 2.441 58 Y HA 0.290 4.839 4.550 -0.001 0.000 0.345 58 Y C -0.940 174.816 175.900 -0.240 0.000 1.129 58 Y CA -0.535 57.310 58.100 -0.425 0.000 1.333 58 Y CB 1.241 39.312 38.460 -0.649 0.000 1.104 58 Y HN 0.376 nan 8.280 nan 0.000 0.551 59 S N 6.089 121.691 115.700 -0.163 0.000 2.411 59 S HA 0.582 5.051 4.470 -0.001 0.000 0.294 59 S C -0.634 173.893 174.600 -0.121 0.000 1.115 59 S CA -0.549 57.586 58.200 -0.108 0.000 1.071 59 S CB -0.072 63.059 63.200 -0.115 0.000 0.967 59 S HN 0.542 nan 8.310 nan 0.000 0.488 60 L N 1.061 122.215 121.223 -0.114 0.000 2.303 60 L HA 0.807 5.146 4.340 -0.001 0.000 0.266 60 L C -0.158 176.605 176.870 -0.178 0.000 1.011 60 L CA -0.843 53.883 54.840 -0.190 0.000 0.818 60 L CB 0.826 42.503 42.059 -0.636 0.000 1.326 60 L HN 0.281 nan 8.230 nan 0.000 0.435 61 R N 1.041 121.468 120.500 -0.120 0.000 2.467 61 R HA 0.275 4.614 4.340 -0.001 0.000 0.299 61 R C -1.837 174.484 176.300 0.035 0.000 1.120 61 R CA -0.499 55.590 56.100 -0.018 0.000 0.940 61 R CB 0.748 31.078 30.300 0.050 0.000 1.161 61 R HN 0.863 nan 8.270 nan 0.000 0.506 62 W N 5.511 126.918 121.300 0.179 0.000 2.417 62 W HA 0.032 4.691 4.660 -0.001 0.000 0.332 62 W C 1.807 178.411 176.519 0.140 0.000 1.413 62 W CA -0.247 57.215 57.345 0.196 0.000 1.299 62 W CB 0.453 30.024 29.460 0.184 0.000 1.304 62 W HN 0.554 nan 8.180 nan 0.000 0.565 63 I N 0.765 121.552 120.570 0.362 0.000 4.082 63 I HA 0.322 4.491 4.170 -0.001 0.000 0.337 63 I C 0.618 176.862 176.117 0.211 0.000 1.352 63 I CA -0.093 61.324 61.300 0.195 0.000 1.097 63 I CB -0.308 37.712 38.000 0.033 0.000 1.048 63 I HN 0.298 nan 8.210 nan 0.000 0.393 64 S N -0.144 115.746 115.700 0.317 0.000 2.862 64 S HA 0.241 4.711 4.470 -0.001 0.000 0.300 64 S C -0.390 174.372 174.600 0.270 0.000 1.240 64 S CA -0.078 58.293 58.200 0.285 0.000 1.025 64 S CB 1.374 64.760 63.200 0.310 0.000 1.340 64 S HN 0.107 nan 8.310 nan 0.000 0.544 65 D N -0.907 119.642 120.400 0.249 0.000 2.363 65 D HA 0.339 4.978 4.640 -0.001 0.000 0.214 65 D C 0.547 176.619 176.300 -0.380 0.000 1.093 65 D CA 0.355 54.268 54.000 -0.145 0.000 0.837 65 D CB 0.034 40.678 40.800 -0.261 0.000 0.948 65 D HN 0.581 nan 8.370 nan 0.000 0.507 66 H N -1.732 117.503 119.070 0.275 0.000 3.734 66 H HA 0.437 4.992 4.556 -0.001 0.000 0.253 66 H C -0.214 175.260 175.328 0.243 0.000 1.072 66 H CA -0.238 55.987 56.048 0.295 0.000 1.147 66 H CB 0.563 30.445 29.762 0.200 0.000 1.495 66 H HN -0.002 nan 8.280 nan 0.000 0.588 67 E N 0.637 121.094 120.200 0.428 0.000 2.343 67 E HA 0.446 4.795 4.350 -0.001 0.000 0.270 67 E C -1.433 175.374 176.600 0.345 0.000 0.895 67 E CA -1.289 55.255 56.400 0.239 0.000 0.767 67 E CB 2.899 32.649 29.700 0.084 0.000 1.248 67 E HN 0.203 nan 8.360 nan 0.000 0.440 68 Y N -0.807 119.536 120.300 0.072 0.000 2.581 68 Y HA 0.636 5.185 4.550 -0.001 0.000 0.345 68 Y C -1.573 174.283 175.900 -0.074 0.000 1.036 68 Y CA -1.452 56.552 58.100 -0.159 0.000 1.042 68 Y CB 0.854 38.791 38.460 -0.871 0.000 1.289 68 Y HN 0.351 nan 8.280 nan 0.000 0.471 69 L N 3.115 124.437 121.223 0.164 0.000 2.282 69 L HA 0.343 4.682 4.340 -0.001 0.000 0.288 69 L C -1.333 175.705 176.870 0.280 0.000 1.033 69 L CA -0.866 54.044 54.840 0.117 0.000 0.807 69 L CB 1.160 43.188 42.059 -0.051 0.000 1.209 69 L HN 0.743 nan 8.230 nan 0.000 0.423 70 Y N 4.413 124.837 120.300 0.207 0.000 2.478 70 Y HA 0.288 4.837 4.550 -0.001 0.000 0.329 70 Y C -0.139 175.778 175.900 0.029 0.000 0.967 70 Y CA -1.086 57.062 58.100 0.080 0.000 1.255 70 Y CB 0.576 39.095 38.460 0.097 0.000 1.103 70 Y HN 0.410 nan 8.280 nan 0.000 0.497 71 K N 5.485 125.640 120.400 -0.408 0.000 2.416 71 K HA 0.132 4.451 4.320 -0.001 0.000 0.283 71 K C -0.265 175.997 176.600 -0.564 0.000 1.037 71 K CA 0.006 56.081 56.287 -0.355 0.000 0.995 71 K CB 0.812 33.176 32.500 -0.227 0.000 0.938 71 K HN 0.714 nan 8.250 nan 0.000 0.475 72 Q N 1.232 120.854 119.800 -0.296 0.000 2.333 72 Q HA 0.091 4.430 4.340 -0.001 0.000 0.266 72 Q C 0.819 176.748 176.000 -0.118 0.000 1.053 72 Q CA -0.639 55.029 55.803 -0.225 0.000 0.890 72 Q CB 1.499 30.196 28.738 -0.067 0.000 1.337 72 Q HN 0.588 nan 8.270 nan 0.000 0.474 73 E N 0.423 120.581 120.200 -0.070 0.000 2.038 73 E HA -0.239 4.110 4.350 -0.001 0.000 0.195 73 E C 1.116 177.718 176.600 0.003 0.000 1.000 73 E CA 1.424 57.807 56.400 -0.028 0.000 0.803 73 E CB 0.226 29.917 29.700 -0.014 0.000 0.750 73 E HN 0.460 nan 8.360 nan 0.000 0.448 74 N N 0.582 119.284 118.700 0.003 0.000 2.131 74 N HA -0.063 4.676 4.740 -0.001 0.000 0.190 74 N C 0.536 176.056 175.510 0.016 0.000 1.055 74 N CA 0.962 54.022 53.050 0.018 0.000 0.853 74 N CB -0.173 38.319 38.487 0.010 0.000 1.035 74 N HN 0.177 nan 8.380 nan 0.000 0.440 75 N N 0.330 119.025 118.700 -0.008 0.000 2.563 75 N HA 0.445 5.184 4.740 -0.001 0.000 0.288 75 N C -0.768 174.716 175.510 -0.043 0.000 1.246 75 N CA -0.499 52.534 53.050 -0.027 0.000 0.946 75 N CB 1.188 39.659 38.487 -0.027 0.000 1.213 75 N HN 0.028 nan 8.380 nan 0.000 0.578 76 I N 0.502 121.046 120.570 -0.043 0.000 2.362 76 I HA 0.299 4.468 4.170 -0.001 0.000 0.289 76 I C -0.369 175.794 176.117 0.077 0.000 0.994 76 I CA -0.685 60.608 61.300 -0.012 0.000 1.158 76 I CB 0.860 38.846 38.000 -0.024 0.000 1.315 76 I HN 0.230 nan 8.210 nan 0.000 0.451 77 L N 6.122 127.411 121.223 0.110 0.000 2.416 77 L HA 0.631 4.970 4.340 -0.001 0.000 0.263 77 L C -0.380 176.538 176.870 0.079 0.000 1.065 77 L CA -0.974 53.917 54.840 0.086 0.000 0.798 77 L CB 1.979 44.088 42.059 0.083 0.000 1.267 77 L HN 0.293 nan 8.230 nan 0.000 0.467 78 V N 0.850 120.712 119.914 -0.088 0.000 2.577 78 V HA 0.488 4.607 4.120 -0.001 0.000 0.303 78 V C -1.236 174.670 176.094 -0.312 0.000 1.042 78 V CA -0.265 61.956 62.300 -0.132 0.000 0.872 78 V CB 1.666 33.414 31.823 -0.126 0.000 0.998 78 V HN 0.426 nan 8.190 nan 0.000 0.423 79 F N 4.919 124.591 119.950 -0.464 0.000 2.480 79 F HA 0.512 5.038 4.527 -0.001 0.000 0.329 79 F C 0.604 176.098 175.800 -0.509 0.000 1.091 79 F CA -0.530 57.124 58.000 -0.576 0.000 0.972 79 F CB 1.801 40.191 39.000 -1.017 0.000 1.150 79 F HN 0.471 nan 8.300 nan 0.000 0.467 80 N N 2.353 120.985 118.700 -0.113 0.000 2.645 80 N HA 0.187 4.926 4.740 -0.001 0.000 0.233 80 N C 0.764 176.193 175.510 -0.135 0.000 1.058 80 N CA 0.153 53.158 53.050 -0.075 0.000 0.942 80 N CB 1.346 39.846 38.487 0.022 0.000 1.210 80 N HN 0.857 nan 8.380 nan 0.000 0.512 81 A N 3.376 126.077 122.820 -0.199 0.000 1.985 81 A HA -0.292 4.027 4.320 -0.001 0.000 0.223 81 A C 1.956 179.208 177.584 -0.554 0.000 1.189 81 A CA 2.197 54.014 52.037 -0.367 0.000 0.658 81 A CB -0.460 18.119 19.000 -0.702 0.000 0.820 81 A HN 0.790 nan 8.150 nan 0.000 0.464 82 E N -1.275 118.582 120.200 -0.572 0.000 2.006 82 E HA -0.167 4.182 4.350 -0.001 0.000 0.192 82 E C 1.717 178.008 176.600 -0.515 0.000 0.993 82 E CA 1.936 58.004 56.400 -0.554 0.000 0.808 82 E CB -0.419 28.823 29.700 -0.763 0.000 0.764 82 E HN 0.690 nan 8.360 nan 0.000 0.449 83 Y N -1.535 118.757 120.300 -0.013 0.000 2.436 83 Y HA 0.345 4.894 4.550 -0.001 0.000 0.288 83 Y C 1.906 177.807 175.900 0.001 0.000 1.112 83 Y CA 0.576 58.673 58.100 -0.004 0.000 1.220 83 Y CB 0.272 38.731 38.460 -0.000 0.000 1.073 83 Y HN 0.325 nan 8.280 nan 0.000 0.552 84 G N 0.080 108.942 108.800 0.104 0.000 2.213 84 G HA2 -0.294 3.665 3.960 -0.001 0.000 0.226 84 G HA3 -0.294 3.665 3.960 -0.001 0.000 0.226 84 G C 0.104 175.091 174.900 0.144 0.000 0.992 84 G CA -0.078 45.109 45.100 0.145 0.000 0.632 84 G HN 0.454 nan 8.290 nan 0.000 0.511 85 N N 1.196 119.951 118.700 0.091 0.000 2.329 85 N HA 0.362 5.101 4.740 -0.001 0.000 0.237 85 N C 0.096 175.508 175.510 -0.163 0.000 1.258 85 N CA 1.202 54.246 53.050 -0.011 0.000 0.866 85 N CB 0.974 39.466 38.487 0.008 0.000 1.102 85 N HN 1.188 nan 8.380 nan 0.000 0.440 86 S N -0.596 114.918 115.700 -0.311 0.000 2.618 86 S HA 0.767 5.236 4.470 -0.001 0.000 0.277 86 S C -1.072 173.321 174.600 -0.346 0.000 1.138 86 S CA -0.908 56.942 58.200 -0.584 0.000 0.844 86 S CB 1.630 64.031 63.200 -1.332 0.000 1.127 86 S HN 0.664 nan 8.310 nan 0.000 0.474 87 S N 0.316 115.833 115.700 -0.304 0.000 2.546 87 S HA 0.545 5.014 4.470 -0.001 0.000 0.274 87 S C -0.849 173.688 174.600 -0.104 0.000 1.121 87 S CA -0.823 57.284 58.200 -0.155 0.000 0.887 87 S CB 1.565 64.713 63.200 -0.086 0.000 1.094 87 S HN 0.778 nan 8.310 nan 0.000 0.474 88 V N 3.112 122.990 119.914 -0.061 0.000 2.485 88 V HA 0.091 4.211 4.120 -0.001 0.000 0.287 88 V C 0.733 176.854 176.094 0.045 0.000 1.022 88 V CA 0.331 62.620 62.300 -0.018 0.000 1.067 88 V CB -0.211 31.588 31.823 -0.040 0.000 0.967 88 V HN 0.969 nan 8.190 nan 0.000 0.479 89 F N 6.131 126.031 119.950 -0.083 0.000 2.187 89 F HA 0.162 4.688 4.527 -0.001 0.000 0.295 89 F C 0.658 176.420 175.800 -0.063 0.000 1.091 89 F CA 0.609 58.568 58.000 -0.068 0.000 1.308 89 F CB 0.533 39.499 39.000 -0.057 0.000 1.030 89 F HN 0.390 nan 8.300 nan 0.000 0.487 90 L N -0.061 121.098 121.223 -0.106 0.000 2.588 90 L HA 0.447 4.786 4.340 -0.001 0.000 0.263 90 L C -1.116 175.672 176.870 -0.136 0.000 0.935 90 L CA -1.007 53.715 54.840 -0.197 0.000 0.891 90 L CB 0.573 42.492 42.059 -0.234 0.000 1.318 90 L HN -0.199 nan 8.230 nan 0.000 0.409 91 E N 2.208 122.314 120.200 -0.157 0.000 2.452 91 E HA 0.082 4.431 4.350 -0.001 0.000 0.261 91 E C 1.498 178.025 176.600 -0.121 0.000 0.987 91 E CA 0.927 57.251 56.400 -0.127 0.000 0.926 91 E CB 0.817 30.436 29.700 -0.135 0.000 0.934 91 E HN 0.789 nan 8.360 nan 0.000 0.452 92 N N 1.366 120.029 118.700 -0.061 0.000 2.205 92 N HA -0.244 4.496 4.740 -0.001 0.000 0.186 92 N C 1.217 176.715 175.510 -0.020 0.000 1.015 92 N CA 1.276 54.320 53.050 -0.011 0.000 0.862 92 N CB -0.130 38.360 38.487 0.005 0.000 0.986 92 N HN 0.391 nan 8.380 nan 0.000 0.429 93 S N 0.411 116.072 115.700 -0.066 0.000 2.428 93 S HA -0.072 4.397 4.470 -0.001 0.000 0.230 93 S C 1.864 176.367 174.600 -0.161 0.000 1.014 93 S CA 1.181 59.336 58.200 -0.075 0.000 0.957 93 S CB -0.828 62.330 63.200 -0.070 0.000 0.784 93 S HN 0.289 nan 8.310 nan 0.000 0.499 94 T N 1.807 116.177 114.554 -0.307 0.000 2.736 94 T HA -0.183 4.166 4.350 -0.001 0.000 0.265 94 T C 0.473 174.690 174.700 -0.805 0.000 1.031 94 T CA 1.845 63.563 62.100 -0.636 0.000 1.155 94 T CB -0.601 67.662 68.868 -1.010 0.000 0.849 94 T HN 0.592 nan 8.240 nan 0.000 0.471 95 F N 0.740 120.629 119.950 -0.102 0.000 2.772 95 F HA 0.328 4.854 4.527 -0.001 0.000 0.302 95 F C 1.217 177.026 175.800 0.015 0.000 1.136 95 F CA -1.312 56.643 58.000 -0.075 0.000 1.322 95 F CB 0.001 38.916 39.000 -0.143 0.000 0.967 95 F HN -0.044 nan 8.300 nan 0.000 0.513 96 D N 1.166 121.617 120.400 0.086 0.000 2.106 96 D HA -0.208 4.431 4.640 -0.001 0.000 0.191 96 D C 1.402 177.754 176.300 0.087 0.000 0.997 96 D CA 1.625 55.668 54.000 0.072 0.000 0.834 96 D CB -0.157 40.654 40.800 0.018 0.000 0.956 96 D HN 0.537 nan 8.370 nan 0.000 0.448 97 E N 0.007 120.258 120.200 0.085 0.000 2.411 97 E HA 0.036 4.386 4.350 -0.001 0.000 0.228 97 E C 0.629 177.292 176.600 0.105 0.000 1.169 97 E CA -0.429 56.007 56.400 0.060 0.000 1.421 97 E CB -0.418 29.296 29.700 0.023 0.000 1.333 97 E HN 0.105 nan 8.360 nan 0.000 0.434 98 F N 2.028 121.982 119.950 0.006 0.000 2.661 98 F HA 0.221 4.747 4.527 -0.001 0.000 0.298 98 F C 1.547 177.278 175.800 -0.115 0.000 1.137 98 F CA 0.891 58.884 58.000 -0.012 0.000 1.454 98 F CB -0.004 38.995 39.000 -0.001 0.000 1.103 98 F HN 0.349 nan 8.300 nan 0.000 0.577 99 G N 0.964 109.596 108.800 -0.280 0.000 2.225 99 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.267 99 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.267 99 G C -0.186 174.217 174.900 -0.828 0.000 1.024 99 G CA 0.635 45.437 45.100 -0.497 0.000 0.784 99 G HN 0.604 nan 8.290 nan 0.000 0.507 100 H N -1.211 117.608 119.070 -0.417 0.000 3.123 100 H HA 0.419 4.975 4.556 -0.001 0.000 0.346 100 H C -0.539 174.754 175.328 -0.058 0.000 1.138 100 H CA -0.156 55.676 56.048 -0.360 0.000 1.273 100 H CB 1.318 30.546 29.762 -0.890 0.000 1.926 100 H HN 0.232 nan 8.280 nan 0.000 0.524 101 S N 2.508 118.280 115.700 0.121 0.000 2.531 101 S HA 0.344 4.813 4.470 -0.001 0.000 0.279 101 S C 0.220 174.873 174.600 0.088 0.000 1.305 101 S CA -0.533 57.718 58.200 0.086 0.000 1.058 101 S CB -0.229 63.004 63.200 0.054 0.000 0.899 101 S HN 0.391 nan 8.310 nan 0.000 0.493 102 I N 5.970 126.530 120.570 -0.016 0.000 2.328 102 I HA 0.254 4.423 4.170 -0.001 0.000 0.287 102 I C 1.266 177.242 176.117 -0.236 0.000 1.012 102 I CA -0.517 60.684 61.300 -0.165 0.000 1.195 102 I CB 1.117 38.843 38.000 -0.456 0.000 1.350 102 I HN 0.763 nan 8.210 nan 0.000 0.464 103 N N 3.972 122.558 118.700 -0.191 0.000 2.412 103 N HA 0.029 4.768 4.740 -0.001 0.000 0.184 103 N C -0.255 175.110 175.510 -0.241 0.000 1.101 103 N CA 0.292 53.214 53.050 -0.213 0.000 0.881 103 N CB 0.672 39.011 38.487 -0.246 0.000 0.969 103 N HN 0.500 nan 8.380 nan 0.000 0.459 104 D N -0.843 119.382 120.400 -0.293 0.000 2.745 104 D HA 0.293 4.932 4.640 -0.001 0.000 0.221 104 D C -1.595 174.589 176.300 -0.194 0.000 1.237 104 D CA -0.436 53.452 54.000 -0.186 0.000 0.781 104 D CB 1.202 41.969 40.800 -0.055 0.000 1.575 104 D HN -0.075 nan 8.370 nan 0.000 0.482 105 Y N 0.097 120.423 120.300 0.043 0.000 2.567 105 Y HA 0.654 5.203 4.550 -0.001 0.000 0.333 105 Y C 0.466 176.460 175.900 0.155 0.000 1.106 105 Y CA -0.830 57.319 58.100 0.081 0.000 1.157 105 Y CB 2.146 40.651 38.460 0.075 0.000 1.277 105 Y HN 0.150 nan 8.280 nan 0.000 0.490 106 S N 1.577 117.523 115.700 0.410 0.000 2.653 106 S HA 0.497 4.966 4.470 -0.001 0.000 0.268 106 S C -1.477 173.399 174.600 0.460 0.000 1.153 106 S CA -0.482 57.961 58.200 0.406 0.000 1.036 106 S CB -0.022 63.423 63.200 0.408 0.000 1.103 106 S HN 0.569 nan 8.310 nan 0.000 0.466 107 I N 4.598 125.328 120.570 0.266 0.000 2.342 107 I HA 0.279 4.448 4.170 -0.001 0.000 0.291 107 I C 0.986 176.950 176.117 -0.254 0.000 1.010 107 I CA -0.371 60.994 61.300 0.108 0.000 1.308 107 I CB 1.680 39.762 38.000 0.138 0.000 1.400 107 I HN 0.774 nan 8.210 nan 0.000 0.488 108 S N 7.949 123.220 115.700 -0.714 0.000 2.563 108 S HA 0.104 4.573 4.470 -0.001 0.000 0.284 108 S C -1.498 172.837 174.600 -0.443 0.000 1.331 108 S CA -0.899 56.574 58.200 -1.212 0.000 1.047 108 S CB 0.336 62.793 63.200 -1.238 0.000 0.859 108 S HN 0.558 nan 8.310 nan 0.000 0.514 109 P HA 0.070 nan 4.420 nan 0.000 0.251 109 P C -0.046 177.207 177.300 -0.078 0.000 1.251 109 P CA 0.520 63.555 63.100 -0.109 0.000 0.763 109 P CB 0.035 31.699 31.700 -0.061 0.000 1.067 110 D N -0.571 119.766 120.400 -0.105 0.000 2.379 110 D HA 0.126 4.766 4.640 -0.001 0.000 0.218 110 D C 1.846 178.139 176.300 -0.011 0.000 1.006 110 D CA 1.352 55.342 54.000 -0.016 0.000 0.893 110 D CB -0.038 40.817 40.800 0.092 0.000 1.019 110 D HN 0.145 nan 8.370 nan 0.000 0.503 111 G N 0.694 109.479 108.800 -0.026 0.000 2.234 111 G HA2 -0.387 3.572 3.960 -0.001 0.000 0.260 111 G HA3 -0.387 3.572 3.960 -0.001 0.000 0.260 111 G C 1.159 176.073 174.900 0.024 0.000 0.987 111 G CA 0.648 45.797 45.100 0.081 0.000 0.625 111 G HN 0.405 nan 8.290 nan 0.000 0.532 112 Q N -1.144 118.585 119.800 -0.118 0.000 2.297 112 Q HA 0.305 4.644 4.340 -0.001 0.000 0.204 112 Q C 0.238 175.730 176.000 -0.847 0.000 0.962 112 Q CA 0.798 56.330 55.803 -0.451 0.000 0.879 112 Q CB 0.160 28.633 28.738 -0.442 0.000 0.947 112 Q HN 0.591 nan 8.270 nan 0.000 0.462 113 F N -0.899 118.981 119.950 -0.116 0.000 2.626 113 F HA 0.495 5.021 4.527 -0.001 0.000 0.311 113 F C -0.667 175.181 175.800 0.080 0.000 1.088 113 F CA -1.067 56.917 58.000 -0.026 0.000 0.949 113 F CB 1.576 40.584 39.000 0.014 0.000 1.322 113 F HN -0.267 nan 8.300 nan 0.000 0.461 114 I N 3.021 123.886 120.570 0.492 0.000 2.439 114 I HA 0.298 4.467 4.170 -0.001 0.000 0.285 114 I C -1.332 175.099 176.117 0.523 0.000 1.021 114 I CA -0.757 60.832 61.300 0.482 0.000 1.091 114 I CB 1.829 40.096 38.000 0.446 0.000 1.242 114 I HN 0.282 nan 8.210 nan 0.000 0.439 115 L N 7.531 129.105 121.223 0.586 0.000 2.319 115 L HA 0.400 4.739 4.340 -0.001 0.000 0.280 115 L C -0.610 176.427 176.870 0.279 0.000 1.099 115 L CA 0.207 55.291 54.840 0.405 0.000 0.828 115 L CB 0.623 42.871 42.059 0.314 0.000 1.150 115 L HN 0.442 nan 8.230 nan 0.000 0.442 116 L N 5.172 126.494 121.223 0.165 0.000 2.280 116 L HA 0.470 4.809 4.340 -0.001 0.000 0.287 116 L C -0.081 176.804 176.870 0.025 0.000 1.023 116 L CA -0.428 54.388 54.840 -0.040 0.000 0.819 116 L CB 1.464 43.310 42.059 -0.355 0.000 1.212 116 L HN 0.597 nan 8.230 nan 0.000 0.420 117 E N 4.242 124.395 120.200 -0.079 0.000 2.156 117 E HA 0.450 4.799 4.350 -0.001 0.000 0.279 117 E C -1.599 174.909 176.600 -0.154 0.000 0.965 117 E CA -0.485 55.743 56.400 -0.286 0.000 0.789 117 E CB 1.084 30.700 29.700 -0.141 0.000 1.098 117 E HN 0.453 nan 8.360 nan 0.000 0.397 118 Y N 1.561 121.653 120.300 -0.346 0.000 2.689 118 Y HA 0.433 4.983 4.550 -0.001 0.000 0.333 118 Y C -0.211 175.569 175.900 -0.199 0.000 1.190 118 Y CA -1.552 56.427 58.100 -0.201 0.000 1.063 118 Y CB 0.554 38.946 38.460 -0.113 0.000 1.294 118 Y HN 0.528 nan 8.280 nan 0.000 0.466 119 N N -0.525 118.185 118.700 0.017 0.000 2.735 119 N HA -0.297 4.442 4.740 -0.001 0.000 0.248 119 N C -0.973 174.498 175.510 -0.065 0.000 1.083 119 N CA 0.990 54.008 53.050 -0.052 0.000 0.703 119 N CB -1.654 36.722 38.487 -0.186 0.000 1.005 119 N HN 0.863 nan 8.380 nan 0.000 0.550 120 Y N 0.421 120.639 120.300 -0.137 0.000 2.632 120 Y HA 0.243 4.792 4.550 -0.001 0.000 0.329 120 Y C 0.113 175.966 175.900 -0.079 0.000 1.174 120 Y CA 0.159 58.174 58.100 -0.141 0.000 1.469 120 Y CB 0.688 39.018 38.460 -0.218 0.000 1.242 120 Y HN -0.003 nan 8.280 nan 0.000 0.540 121 V N 8.342 127.891 119.914 -0.609 0.000 2.439 121 V HA 0.164 4.284 4.120 -0.001 0.000 0.277 121 V C -0.221 175.507 176.094 -0.611 0.000 1.008 121 V CA -1.321 60.697 62.300 -0.470 0.000 0.846 121 V CB 0.997 32.681 31.823 -0.232 0.000 1.031 121 V HN 0.773 nan 8.190 nan 0.000 0.441 122 K N 3.499 123.459 120.400 -0.735 0.000 2.469 122 K HA 0.154 4.473 4.320 -0.001 0.000 0.274 122 K C 0.435 176.877 176.600 -0.262 0.000 0.983 122 K CA 0.495 56.526 56.287 -0.426 0.000 0.974 122 K CB 1.124 33.559 32.500 -0.108 0.000 0.913 122 K HN 0.767 nan 8.250 nan 0.000 0.493 123 Q N 2.652 122.307 119.800 -0.242 0.000 2.489 123 Q HA 0.205 4.544 4.340 -0.001 0.000 0.202 123 Q C -0.208 175.653 176.000 -0.231 0.000 0.853 123 Q CA -0.540 54.959 55.803 -0.508 0.000 0.539 123 Q CB 0.197 28.453 28.738 -0.803 0.000 3.308 123 Q HN 0.729 nan 8.270 nan 0.000 0.362 124 W N 0.352 121.681 121.300 0.049 0.000 1.940 124 W HA 0.313 4.972 4.660 -0.001 0.000 0.516 124 W C 1.621 178.166 176.519 0.043 0.000 2.058 124 W CA -0.564 56.846 57.345 0.108 0.000 2.332 124 W CB 0.024 29.542 29.460 0.096 0.000 1.870 124 W HN 0.418 nan 8.180 nan 0.000 0.766 125 R N -0.485 120.177 120.500 0.270 0.000 2.117 125 R HA -0.189 4.150 4.340 -0.001 0.000 0.243 125 R C 1.575 177.737 176.300 -0.230 0.000 1.143 125 R CA 2.120 58.188 56.100 -0.055 0.000 0.968 125 R CB -0.459 29.690 30.300 -0.251 0.000 0.863 125 R HN 0.487 nan 8.270 nan 0.000 0.444 126 H N -1.464 117.710 119.070 0.173 0.000 2.926 126 H HA 0.225 4.781 4.556 -0.001 0.000 0.249 126 H C 0.382 175.818 175.328 0.181 0.000 0.963 126 H CA 0.516 56.681 56.048 0.195 0.000 1.158 126 H CB 0.108 29.958 29.762 0.146 0.000 1.445 126 H HN 0.224 nan 8.280 nan 0.000 0.452 127 S N 1.407 117.129 115.700 0.037 0.000 2.585 127 S HA 0.351 4.820 4.470 -0.001 0.000 0.273 127 S C -0.292 174.161 174.600 -0.246 0.000 1.339 127 S CA -0.359 57.505 58.200 -0.560 0.000 1.028 127 S CB 0.689 63.063 63.200 -1.377 0.000 0.906 127 S HN 0.471 nan 8.310 nan 0.000 0.528 128 Y N -2.559 117.560 120.300 -0.301 0.000 2.841 128 Y HA 0.563 5.112 4.550 -0.001 0.000 0.373 128 Y C -0.969 174.909 175.900 -0.036 0.000 1.170 128 Y CA -0.829 57.136 58.100 -0.224 0.000 1.196 128 Y CB 0.289 38.619 38.460 -0.217 0.000 1.433 128 Y HN 0.953 nan 8.280 nan 0.000 0.479 129 T N 0.200 114.832 114.554 0.130 0.000 2.924 129 T HA 1.041 5.390 4.350 -0.001 0.000 0.291 129 T C -0.458 174.352 174.700 0.185 0.000 1.045 129 T CA -0.117 62.067 62.100 0.141 0.000 1.015 129 T CB 1.824 70.712 68.868 0.034 0.000 1.103 129 T HN 1.976 nan 8.240 nan 0.000 0.496 130 A N 0.941 123.832 122.820 0.118 0.000 2.536 130 A HA 0.799 5.118 4.320 -0.001 0.000 0.293 130 A C -0.617 176.723 177.584 -0.407 0.000 1.119 130 A CA -0.991 50.946 52.037 -0.167 0.000 0.654 130 A CB 1.036 19.901 19.000 -0.225 0.000 1.291 130 A HN 0.879 nan 8.150 nan 0.000 0.439 131 S N -0.773 114.429 115.700 -0.831 0.000 2.593 131 S HA 0.807 5.276 4.470 -0.001 0.000 0.297 131 S C -1.547 172.331 174.600 -1.202 0.000 1.112 131 S CA -0.080 57.556 58.200 -0.940 0.000 1.043 131 S CB 0.713 63.082 63.200 -1.385 0.000 1.054 131 S HN 0.451 nan 8.310 nan 0.000 0.516 132 Y N 0.097 120.137 120.300 -0.434 0.000 2.504 132 Y HA 0.466 5.015 4.550 -0.001 0.000 0.344 132 Y C -0.521 175.372 175.900 -0.011 0.000 1.023 132 Y CA -0.929 57.055 58.100 -0.194 0.000 1.020 132 Y CB 1.808 40.136 38.460 -0.221 0.000 1.282 132 Y HN 0.495 nan 8.280 nan 0.000 0.454 133 D N 2.779 123.345 120.400 0.276 0.000 2.738 133 D HA 0.537 5.177 4.640 -0.001 0.000 0.237 133 D C -0.911 175.504 176.300 0.192 0.000 1.123 133 D CA -0.340 53.810 54.000 0.250 0.000 0.856 133 D CB 2.761 43.785 40.800 0.374 0.000 1.552 133 D HN 0.401 nan 8.370 nan 0.000 0.480 134 I N 1.851 122.535 120.570 0.190 0.000 2.377 134 I HA 0.234 4.403 4.170 -0.001 0.000 0.293 134 I C -0.831 175.492 176.117 0.343 0.000 0.987 134 I CA -0.977 60.478 61.300 0.258 0.000 1.185 134 I CB 1.299 39.413 38.000 0.190 0.000 1.341 134 I HN 0.233 nan 8.210 nan 0.000 0.455 135 Y N 5.689 126.143 120.300 0.258 0.000 2.331 135 Y HA 0.308 4.857 4.550 -0.001 0.000 0.338 135 Y C -0.208 175.864 175.900 0.288 0.000 0.992 135 Y CA -0.787 57.466 58.100 0.256 0.000 1.121 135 Y CB 1.068 39.696 38.460 0.281 0.000 1.184 135 Y HN 0.478 nan 8.280 nan 0.000 0.469 136 D N 6.265 126.510 120.400 -0.259 0.000 2.325 136 D HA 0.102 4.741 4.640 -0.001 0.000 0.251 136 D C 0.642 176.539 176.300 -0.672 0.000 1.196 136 D CA 0.249 54.047 54.000 -0.338 0.000 0.866 136 D CB 0.942 41.639 40.800 -0.173 0.000 1.101 136 D HN 0.867 nan 8.370 nan 0.000 0.476 137 L N 3.473 124.369 121.223 -0.545 0.000 2.478 137 L HA -0.075 4.264 4.340 -0.001 0.000 0.223 137 L C 1.748 178.398 176.870 -0.366 0.000 1.140 137 L CA 0.123 54.714 54.840 -0.415 0.000 0.842 137 L CB -0.214 41.655 42.059 -0.316 0.000 0.953 137 L HN 0.330 nan 8.230 nan 0.000 0.452 138 N N 1.684 120.142 118.700 -0.403 0.000 2.093 138 N HA -0.147 4.592 4.740 -0.001 0.000 0.191 138 N C 1.528 176.905 175.510 -0.223 0.000 1.062 138 N CA 1.342 54.224 53.050 -0.282 0.000 0.854 138 N CB -0.368 37.954 38.487 -0.274 0.000 1.043 138 N HN 0.384 nan 8.380 nan 0.000 0.438 139 K N 1.433 121.705 120.400 -0.213 0.000 2.525 139 K HA 0.147 4.466 4.320 -0.001 0.000 0.192 139 K C -0.350 176.138 176.600 -0.186 0.000 1.029 139 K CA -0.009 56.184 56.287 -0.156 0.000 1.029 139 K CB -0.025 32.412 32.500 -0.106 0.000 0.814 139 K HN 0.118 nan 8.250 nan 0.000 0.503 140 R N 0.635 120.945 120.500 -0.318 0.000 3.251 140 R HA -0.212 4.128 4.340 -0.001 0.000 0.249 140 R C -0.880 175.259 176.300 -0.267 0.000 0.949 140 R CA 0.600 56.465 56.100 -0.393 0.000 0.645 140 R CB -2.103 28.135 30.300 -0.102 0.000 1.065 140 R HN 0.437 nan 8.270 nan 0.000 0.452 141 Q N 0.318 119.911 119.800 -0.344 0.000 2.394 141 Q HA 0.539 4.878 4.340 -0.001 0.000 0.273 141 Q C -0.726 175.293 176.000 0.031 0.000 1.089 141 Q CA -0.762 55.008 55.803 -0.054 0.000 0.812 141 Q CB 1.827 30.547 28.738 -0.029 0.000 1.353 141 Q HN 0.327 nan 8.270 nan 0.000 0.438 142 L N 4.121 125.497 121.223 0.255 0.000 2.313 142 L HA 0.357 4.696 4.340 -0.001 0.000 0.282 142 L C -0.395 176.593 176.870 0.196 0.000 1.092 142 L CA -0.320 54.723 54.840 0.338 0.000 0.831 142 L CB 0.472 42.751 42.059 0.367 0.000 1.159 142 L HN 0.651 nan 8.230 nan 0.000 0.442 143 I N 3.603 124.280 120.570 0.179 0.000 2.533 143 I HA -0.043 4.127 4.170 -0.001 0.000 0.284 143 I C 1.330 177.512 176.117 0.109 0.000 1.109 143 I CA 0.294 61.666 61.300 0.121 0.000 1.412 143 I CB 1.200 39.265 38.000 0.109 0.000 1.396 143 I HN 0.691 nan 8.210 nan 0.000 0.543 144 T N 1.042 115.641 114.554 0.076 0.000 2.971 144 T HA 0.120 4.469 4.350 -0.001 0.000 0.252 144 T C 0.511 175.226 174.700 0.026 0.000 1.022 144 T CA -0.462 61.675 62.100 0.061 0.000 0.980 144 T CB 0.131 69.035 68.868 0.060 0.000 1.044 144 T HN 0.609 nan 8.240 nan 0.000 0.501 145 E N 1.799 122.008 120.200 0.015 0.000 2.318 145 E HA 0.205 4.554 4.350 -0.001 0.000 0.265 145 E C -0.511 176.072 176.600 -0.029 0.000 1.069 145 E CA -0.616 55.779 56.400 -0.008 0.000 0.893 145 E CB 0.560 30.256 29.700 -0.006 0.000 1.076 145 E HN 0.133 nan 8.360 nan 0.000 0.414 146 E N 0.306 120.476 120.200 -0.051 0.000 2.202 146 E HA -0.261 4.088 4.350 -0.001 0.000 0.214 146 E C 0.138 176.677 176.600 -0.101 0.000 1.303 146 E CA 1.057 57.409 56.400 -0.080 0.000 0.714 146 E CB -1.569 28.089 29.700 -0.069 0.000 1.130 146 E HN 0.650 nan 8.360 nan 0.000 0.356 147 R N -0.611 119.827 120.500 -0.103 0.000 2.726 147 R HA 0.469 4.808 4.340 -0.001 0.000 0.272 147 R C 0.836 176.991 176.300 -0.243 0.000 1.097 147 R CA -0.601 55.426 56.100 -0.122 0.000 1.198 147 R CB 0.564 30.827 30.300 -0.062 0.000 1.114 147 R HN 0.046 nan 8.270 nan 0.000 0.550 148 I N 1.973 122.359 120.570 -0.307 0.000 2.692 148 I HA 0.105 4.275 4.170 -0.001 0.000 0.284 148 I C -1.728 174.092 176.117 -0.495 0.000 1.159 148 I CA -2.015 58.942 61.300 -0.572 0.000 1.423 148 I CB 0.659 38.311 38.000 -0.580 0.000 1.380 148 I HN 0.514 nan 8.210 nan 0.000 0.580 149 P HA 0.056 nan 4.420 nan 0.000 0.270 149 P C -0.848 176.274 177.300 -0.297 0.000 1.223 149 P CA -0.259 62.465 63.100 -0.627 0.000 0.785 149 P CB 0.375 31.255 31.700 -1.365 0.000 0.923 150 N N 2.017 120.635 118.700 -0.137 0.000 2.445 150 N HA 0.082 4.821 4.740 -0.001 0.000 0.264 150 N C 0.418 176.016 175.510 0.148 0.000 1.227 150 N CA 0.019 53.042 53.050 -0.045 0.000 0.963 150 N CB -0.205 38.261 38.487 -0.036 0.000 1.188 150 N HN 0.429 nan 8.380 nan 0.000 0.491 151 N N -1.314 117.437 118.700 0.085 0.000 2.776 151 N HA -0.153 4.586 4.740 -0.001 0.000 0.250 151 N C -0.818 174.833 175.510 0.235 0.000 1.112 151 N CA 0.681 53.806 53.050 0.126 0.000 0.733 151 N CB -1.715 36.838 38.487 0.110 0.000 1.097 151 N HN 0.480 nan 8.380 nan 0.000 0.558 152 T N 1.028 115.742 114.554 0.267 0.000 2.870 152 T HA 0.093 4.442 4.350 -0.001 0.000 0.300 152 T C 1.742 176.594 174.700 0.254 0.000 0.989 152 T CA 0.124 62.406 62.100 0.302 0.000 1.139 152 T CB 1.224 70.192 68.868 0.167 0.000 0.920 152 T HN 0.173 nan 8.240 nan 0.000 0.537 153 Q N 1.859 121.805 119.800 0.243 0.000 2.163 153 Q HA 0.115 4.454 4.340 -0.001 0.000 0.198 153 Q C 0.241 176.426 176.000 0.308 0.000 0.954 153 Q CA 0.647 56.624 55.803 0.290 0.000 0.851 153 Q CB 0.590 29.486 28.738 0.263 0.000 0.928 153 Q HN 0.700 nan 8.270 nan 0.000 0.459 154 W N 0.145 121.424 121.300 -0.035 0.000 3.573 154 W HA 0.477 5.136 4.660 -0.001 0.000 0.306 154 W C -2.215 174.225 176.519 -0.133 0.000 1.227 154 W CA -0.625 56.651 57.345 -0.114 0.000 1.212 154 W CB 1.306 30.640 29.460 -0.210 0.000 1.331 154 W HN -0.336 nan 8.180 nan 0.000 0.524 155 V N 3.652 122.934 119.914 -1.054 0.000 2.876 155 V HA 0.759 4.878 4.120 -0.001 0.000 0.312 155 V C -0.413 175.099 176.094 -0.970 0.000 1.085 155 V CA -0.651 61.141 62.300 -0.846 0.000 0.945 155 V CB 1.837 33.037 31.823 -1.038 0.000 1.017 155 V HN 0.501 nan 8.190 nan 0.000 0.428 156 T N 2.455 116.734 114.554 -0.457 0.000 3.097 156 T HA 0.468 4.817 4.350 -0.001 0.000 0.332 156 T C -1.522 173.208 174.700 0.049 0.000 1.269 156 T CA -0.375 61.635 62.100 -0.151 0.000 1.076 156 T CB 0.705 69.722 68.868 0.248 0.000 1.209 156 T HN 0.519 nan 8.240 nan 0.000 0.474 157 W N 2.960 124.311 121.300 0.085 0.000 2.086 157 W HA 0.497 5.156 4.660 -0.001 0.000 0.355 157 W C 1.317 177.667 176.519 -0.281 0.000 1.313 157 W CA -0.444 56.888 57.345 -0.021 0.000 1.358 157 W CB 0.535 29.984 29.460 -0.020 0.000 1.166 157 W HN 0.786 nan 8.180 nan 0.000 0.630 158 S N 0.455 115.898 115.700 -0.429 0.000 2.624 158 S HA 0.251 4.720 4.470 -0.001 0.000 0.263 158 S C -1.894 172.446 174.600 -0.433 0.000 1.287 158 S CA -0.988 56.443 58.200 -1.281 0.000 0.990 158 S CB 1.008 63.381 63.200 -1.377 0.000 0.950 158 S HN 0.258 nan 8.310 nan 0.000 0.561 159 P HA 0.022 nan 4.420 nan 0.000 0.226 159 P C 1.209 178.466 177.300 -0.071 0.000 1.153 159 P CA 0.731 63.787 63.100 -0.073 0.000 0.777 159 P CB -0.081 31.619 31.700 -0.001 0.000 0.794 160 V N -5.592 114.239 119.914 -0.140 0.000 3.102 160 V HA 0.454 4.574 4.120 -0.001 0.000 0.225 160 V C 1.546 177.570 176.094 -0.118 0.000 1.301 160 V CA 0.885 63.126 62.300 -0.099 0.000 1.308 160 V CB -0.916 30.857 31.823 -0.084 0.000 1.129 160 V HN 0.023 nan 8.190 nan 0.000 0.502 161 G N 1.521 110.212 108.800 -0.182 0.000 3.224 161 G HA2 0.232 4.192 3.960 -0.001 0.000 0.161 161 G HA3 0.232 4.192 3.960 -0.001 0.000 0.161 161 G C 0.677 175.495 174.900 -0.137 0.000 1.872 161 G CA 0.571 45.539 45.100 -0.219 0.000 1.012 161 G HN 0.986 nan 8.290 nan 0.000 0.504 162 H N -0.944 118.144 119.070 0.029 0.000 2.907 162 H HA 0.419 4.974 4.556 -0.001 0.000 0.233 162 H C -0.334 175.196 175.328 0.337 0.000 1.285 162 H CA -0.500 55.626 56.048 0.130 0.000 0.981 162 H CB -0.147 29.696 29.762 0.135 0.000 2.255 162 H HN 0.142 nan 8.280 nan 0.000 0.601 163 K N 1.601 122.119 120.400 0.197 0.000 2.168 163 K HA 0.530 4.849 4.320 -0.001 0.000 0.258 163 K C -0.452 176.277 176.600 0.214 0.000 1.010 163 K CA -0.465 55.904 56.287 0.136 0.000 0.929 163 K CB 1.663 34.080 32.500 -0.138 0.000 0.998 163 K HN 0.168 nan 8.250 nan 0.000 0.479 164 L N 0.844 122.190 121.223 0.205 0.000 2.422 164 L HA 0.568 4.907 4.340 -0.001 0.000 0.264 164 L C -1.150 175.879 176.870 0.265 0.000 0.984 164 L CA -0.924 53.970 54.840 0.090 0.000 0.819 164 L CB 2.205 44.158 42.059 -0.177 0.000 1.330 164 L HN 0.697 nan 8.230 nan 0.000 0.410 165 A N 2.665 125.627 122.820 0.236 0.000 2.359 165 A HA 0.809 5.128 4.320 -0.001 0.000 0.303 165 A C -1.591 176.011 177.584 0.030 0.000 1.066 165 A CA -0.382 51.695 52.037 0.066 0.000 0.730 165 A CB 1.133 20.111 19.000 -0.037 0.000 1.211 165 A HN 0.638 nan 8.150 nan 0.000 0.439 166 Y N -0.219 120.053 120.300 -0.046 0.000 2.581 166 Y HA 0.803 5.352 4.550 -0.001 0.000 0.345 166 Y C -1.128 174.807 175.900 0.059 0.000 1.036 166 Y CA -1.704 56.357 58.100 -0.065 0.000 1.042 166 Y CB 1.166 39.525 38.460 -0.168 0.000 1.289 166 Y HN 0.377 nan 8.280 nan 0.000 0.471 167 V N 2.077 122.159 119.914 0.281 0.000 2.495 167 V HA 0.382 4.501 4.120 -0.001 0.000 0.298 167 V C -1.518 174.819 176.094 0.405 0.000 1.031 167 V CA -0.669 61.767 62.300 0.227 0.000 0.871 167 V CB 1.416 33.264 31.823 0.042 0.000 0.988 167 V HN 0.888 nan 8.190 nan 0.000 0.432 168 W N 5.483 126.913 121.300 0.218 0.000 3.036 168 W HA 0.475 5.134 4.660 -0.001 0.000 0.337 168 W C 0.107 176.697 176.519 0.118 0.000 1.055 168 W CA -0.560 56.870 57.345 0.142 0.000 1.248 168 W CB 1.106 30.617 29.460 0.084 0.000 1.335 168 W HN 0.787 nan 8.180 nan 0.000 0.446 169 N N 5.756 124.152 118.700 -0.507 0.000 2.783 169 N HA -0.307 4.432 4.740 -0.001 0.000 0.247 169 N C 0.117 175.491 175.510 -0.228 0.000 1.089 169 N CA 0.936 53.667 53.050 -0.532 0.000 0.690 169 N CB -1.219 36.760 38.487 -0.848 0.000 0.991 169 N HN 0.899 nan 8.380 nan 0.000 0.552 170 N N -1.484 117.138 118.700 -0.129 0.000 2.753 170 N HA -0.178 4.561 4.740 -0.001 0.000 0.251 170 N C -1.209 174.228 175.510 -0.122 0.000 1.097 170 N CA 1.124 54.111 53.050 -0.104 0.000 0.786 170 N CB -0.371 38.014 38.487 -0.171 0.000 1.137 170 N HN 0.442 nan 8.380 nan 0.000 0.566 171 D N 0.424 120.774 120.400 -0.084 0.000 2.350 171 D HA 0.503 5.143 4.640 -0.001 0.000 0.238 171 D C 0.126 176.245 176.300 -0.302 0.000 0.989 171 D CA -0.359 53.498 54.000 -0.238 0.000 0.921 171 D CB 1.610 42.237 40.800 -0.288 0.000 1.297 171 D HN 0.016 nan 8.370 nan 0.000 0.490 172 I N 1.785 121.985 120.570 -0.616 0.000 2.359 172 I HA 0.249 4.418 4.170 -0.001 0.000 0.294 172 I C -0.774 174.808 176.117 -0.891 0.000 0.987 172 I CA -0.562 60.362 61.300 -0.627 0.000 1.225 172 I CB 0.644 38.208 38.000 -0.727 0.000 1.366 172 I HN 0.149 nan 8.210 nan 0.000 0.466 173 Y N 4.489 124.398 120.300 -0.652 0.000 2.485 173 Y HA 0.645 5.194 4.550 -0.001 0.000 0.345 173 Y C -0.200 175.344 175.900 -0.595 0.000 0.998 173 Y CA -0.946 56.715 58.100 -0.731 0.000 1.059 173 Y CB 2.041 39.749 38.460 -1.253 0.000 1.234 173 Y HN 0.128 nan 8.280 nan 0.000 0.461 174 V N 2.418 122.244 119.914 -0.148 0.000 2.656 174 V HA 0.448 4.567 4.120 -0.001 0.000 0.307 174 V C -0.780 175.429 176.094 0.192 0.000 1.051 174 V CA -1.348 60.964 62.300 0.019 0.000 0.893 174 V CB 2.068 33.909 31.823 0.031 0.000 0.999 174 V HN 0.627 nan 8.190 nan 0.000 0.426 175 K N 3.967 124.493 120.400 0.210 0.000 2.530 175 K HA 0.504 4.823 4.320 -0.001 0.000 0.230 175 K C 0.748 177.480 176.600 0.218 0.000 1.002 175 K CA -0.376 56.036 56.287 0.209 0.000 1.014 175 K CB 1.003 33.589 32.500 0.143 0.000 1.286 175 K HN 0.615 nan 8.250 nan 0.000 0.480 176 I N 1.096 121.827 120.570 0.268 0.000 2.423 176 I HA -0.199 3.970 4.170 -0.001 0.000 0.254 176 I C 0.312 176.555 176.117 0.210 0.000 1.151 176 I CA 1.401 62.832 61.300 0.218 0.000 1.421 176 I CB 0.147 38.276 38.000 0.215 0.000 1.079 176 I HN 0.452 nan 8.210 nan 0.000 0.431 177 E N -0.825 119.477 120.200 0.169 0.000 2.275 177 E HA 0.238 4.588 4.350 -0.001 0.000 0.270 177 E C -1.914 174.674 176.600 -0.019 0.000 0.882 177 E CA -1.913 54.554 56.400 0.112 0.000 0.758 177 E CB 1.737 31.499 29.700 0.102 0.000 1.195 177 E HN -0.241 nan 8.360 nan 0.000 0.419 178 P HA -0.203 nan 4.420 nan 0.000 0.218 178 P C 0.793 178.024 177.300 -0.115 0.000 1.150 178 P CA 1.486 64.434 63.100 -0.253 0.000 0.841 178 P CB 0.323 31.621 31.700 -0.669 0.000 0.784 179 N N -2.086 116.570 118.700 -0.073 0.000 2.205 179 N HA 0.036 4.775 4.740 -0.001 0.000 0.201 179 N C 0.004 175.504 175.510 -0.017 0.000 1.128 179 N CA 0.121 53.157 53.050 -0.025 0.000 0.867 179 N CB -0.103 38.387 38.487 0.005 0.000 0.996 179 N HN 0.056 nan 8.380 nan 0.000 0.503 180 L N 1.381 122.597 121.223 -0.011 0.000 2.399 180 L HA 0.551 4.890 4.340 -0.001 0.000 0.265 180 L C -2.044 174.796 176.870 -0.050 0.000 1.089 180 L CA -2.065 52.767 54.840 -0.013 0.000 0.802 180 L CB 0.497 42.570 42.059 0.023 0.000 1.180 180 L HN -0.109 nan 8.230 nan 0.000 0.454 181 P HA 0.020 nan 4.420 nan 0.000 0.267 181 P C -0.498 176.681 177.300 -0.203 0.000 1.201 181 P CA 0.089 63.102 63.100 -0.145 0.000 0.775 181 P CB 0.532 32.128 31.700 -0.173 0.000 0.854 182 S N 1.381 116.992 115.700 -0.147 0.000 2.645 182 S HA 0.354 4.823 4.470 -0.001 0.000 0.266 182 S C -1.110 173.369 174.600 -0.202 0.000 1.258 182 S CA -0.166 57.990 58.200 -0.074 0.000 0.990 182 S CB -0.054 63.181 63.200 0.058 0.000 0.967 182 S HN 0.210 nan 8.310 nan 0.000 0.556 183 Y N 1.432 121.747 120.300 0.025 0.000 2.331 183 Y HA 0.427 4.976 4.550 -0.001 0.000 0.334 183 Y C 0.619 176.419 175.900 -0.167 0.000 0.960 183 Y CA -0.706 57.378 58.100 -0.026 0.000 1.130 183 Y CB 1.100 39.542 38.460 -0.030 0.000 1.164 183 Y HN 0.502 nan 8.280 nan 0.000 0.458 184 R N 4.042 124.475 120.500 -0.111 0.000 2.316 184 R HA 0.186 4.525 4.340 -0.001 0.000 0.314 184 R C 0.246 176.244 176.300 -0.503 0.000 1.069 184 R CA 0.179 55.889 56.100 -0.649 0.000 0.959 184 R CB 0.618 30.293 30.300 -1.042 0.000 0.987 184 R HN 0.755 nan 8.270 nan 0.000 0.446 185 I N 1.112 121.296 120.570 -0.644 0.000 2.927 185 I HA -0.022 4.147 4.170 -0.001 0.000 0.268 185 I C 1.305 177.166 176.117 -0.427 0.000 1.153 185 I CA 1.011 62.065 61.300 -0.410 0.000 1.459 185 I CB -0.250 37.478 38.000 -0.452 0.000 1.149 185 I HN 0.393 nan 8.210 nan 0.000 0.443 186 T N -1.425 112.704 114.554 -0.707 0.000 2.908 186 T HA 0.352 4.701 4.350 -0.001 0.000 0.290 186 T C -0.955 173.326 174.700 -0.697 0.000 1.034 186 T CA -0.312 61.467 62.100 -0.533 0.000 1.010 186 T CB 1.206 69.746 68.868 -0.547 0.000 1.068 186 T HN 0.171 nan 8.240 nan 0.000 0.481 187 W N 1.012 122.188 121.300 -0.206 0.000 2.324 187 W HA 0.216 4.875 4.660 -0.001 0.000 0.316 187 W C 1.909 178.367 176.519 -0.103 0.000 0.927 187 W CA -0.080 57.186 57.345 -0.131 0.000 1.438 187 W CB -0.033 29.371 29.460 -0.093 0.000 1.085 187 W HN 0.778 nan 8.180 nan 0.000 0.532 188 T N -2.315 112.272 114.554 0.055 0.000 3.107 188 T HA 0.284 4.633 4.350 -0.001 0.000 0.249 188 T C 1.191 175.873 174.700 -0.029 0.000 1.096 188 T CA 0.217 62.330 62.100 0.020 0.000 1.012 188 T CB -0.196 68.676 68.868 0.008 0.000 0.977 188 T HN 0.016 nan 8.240 nan 0.000 0.527 189 G N 1.343 110.098 108.800 -0.074 0.000 2.305 189 G HA2 0.361 4.320 3.960 -0.001 0.000 0.243 189 G HA3 0.361 4.320 3.960 -0.001 0.000 0.243 189 G C -0.587 174.248 174.900 -0.109 0.000 1.288 189 G CA -0.481 44.552 45.100 -0.111 0.000 0.901 189 G HN 0.567 nan 8.290 nan 0.000 0.516 190 K N 2.114 122.423 120.400 -0.150 0.000 2.652 190 K HA 0.192 4.511 4.320 -0.001 0.000 0.249 190 K C -0.041 176.433 176.600 -0.209 0.000 0.986 190 K CA -0.651 55.552 56.287 -0.140 0.000 0.867 190 K CB 1.300 33.748 32.500 -0.086 0.000 1.201 190 K HN 0.601 nan 8.250 nan 0.000 0.450 191 E N 3.322 123.410 120.200 -0.186 0.000 2.708 191 E HA -0.186 4.163 4.350 -0.001 0.000 0.260 191 E C -0.506 175.997 176.600 -0.161 0.000 0.937 191 E CA 1.183 57.473 56.400 -0.184 0.000 0.953 191 E CB 0.262 29.890 29.700 -0.120 0.000 0.915 191 E HN 0.724 nan 8.360 nan 0.000 0.487 192 D N 2.263 122.551 120.400 -0.186 0.000 3.006 192 D HA -0.246 4.393 4.640 -0.001 0.000 0.208 192 D C 0.614 176.909 176.300 -0.008 0.000 1.116 192 D CA 1.414 55.414 54.000 -0.000 0.000 0.998 192 D CB -0.433 40.415 40.800 0.079 0.000 1.124 192 D HN 0.421 nan 8.370 nan 0.000 0.413 193 I N -0.532 119.935 120.570 -0.172 0.000 3.518 193 I HA 0.196 4.366 4.170 -0.001 0.000 0.260 193 I C 1.042 177.130 176.117 -0.049 0.000 1.148 193 I CA 0.427 61.708 61.300 -0.033 0.000 1.440 193 I CB 0.215 38.204 38.000 -0.018 0.000 1.485 193 I HN -0.122 nan 8.210 nan 0.000 0.456 194 I N 1.161 121.613 120.570 -0.197 0.000 2.389 194 I HA 0.228 4.397 4.170 -0.001 0.000 0.288 194 I C -1.365 174.617 176.117 -0.224 0.000 0.999 194 I CA -0.597 60.652 61.300 -0.085 0.000 1.129 194 I CB 1.532 39.520 38.000 -0.020 0.000 1.288 194 I HN -0.023 nan 8.210 nan 0.000 0.444 195 Y N 4.963 125.336 120.300 0.122 0.000 2.331 195 Y HA 0.397 4.947 4.550 -0.001 0.000 0.338 195 Y C 0.210 176.136 175.900 0.043 0.000 0.976 195 Y CA -0.862 57.306 58.100 0.113 0.000 1.137 195 Y CB 0.910 39.517 38.460 0.245 0.000 1.172 195 Y HN 0.428 nan 8.280 nan 0.000 0.478 196 N N 2.091 120.820 118.700 0.050 0.000 2.443 196 N HA 0.332 5.072 4.740 -0.001 0.000 0.269 196 N C 0.735 176.129 175.510 -0.193 0.000 0.985 196 N CA 0.389 53.374 53.050 -0.107 0.000 0.921 196 N CB 1.874 40.207 38.487 -0.256 0.000 1.195 196 N HN 0.978 nan 8.380 nan 0.000 0.492 197 G N 1.675 110.363 108.800 -0.186 0.000 2.212 197 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.266 197 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.266 197 G C 0.153 174.856 174.900 -0.328 0.000 0.978 197 G CA 0.779 45.709 45.100 -0.283 0.000 0.632 197 G HN 0.652 nan 8.290 nan 0.000 0.537 198 I N -1.382 119.066 120.570 -0.205 0.000 2.828 198 I HA 0.796 4.966 4.170 -0.001 0.000 0.302 198 I C 0.361 176.465 176.117 -0.020 0.000 1.101 198 I CA -0.572 60.511 61.300 -0.362 0.000 1.031 198 I CB 2.041 39.635 38.000 -0.677 0.000 1.231 198 I HN 0.182 nan 8.210 nan 0.000 0.427 199 T N -0.023 114.458 114.554 -0.123 0.000 2.849 199 T HA 0.341 4.690 4.350 -0.001 0.000 0.284 199 T C -0.127 174.361 174.700 -0.352 0.000 1.004 199 T CA -0.593 61.342 62.100 -0.275 0.000 1.021 199 T CB 1.261 70.019 68.868 -0.185 0.000 1.013 199 T HN 0.779 nan 8.240 nan 0.000 0.527 200 D N -0.132 119.845 120.400 -0.705 0.000 2.506 200 D HA 0.054 4.693 4.640 -0.001 0.000 0.272 200 D C 0.948 177.158 176.300 -0.149 0.000 1.214 200 D CA -1.102 52.473 54.000 -0.708 0.000 1.067 200 D CB 0.130 40.454 40.800 -0.793 0.000 1.117 200 D HN 0.685 nan 8.370 nan 0.000 0.578 201 W N 0.212 121.452 121.300 -0.100 0.000 2.317 201 W HA -0.236 4.423 4.660 -0.002 0.000 0.318 201 W C 2.171 178.590 176.519 -0.166 0.000 1.227 201 W CA 2.534 59.819 57.345 -0.101 0.000 1.269 201 W CB -0.510 28.840 29.460 -0.184 0.000 1.155 201 W HN 0.195 nan 8.180 nan 0.000 0.484 202 V N -0.296 119.629 119.914 0.018 0.000 2.379 202 V HA -0.289 3.831 4.120 -0.001 0.000 0.245 202 V C 1.947 177.838 176.094 -0.339 0.000 1.044 202 V CA 2.022 64.199 62.300 -0.206 0.000 1.036 202 V CB -0.792 30.971 31.823 -0.100 0.000 0.664 202 V HN 0.277 nan 8.190 nan 0.000 0.453 203 Y N 0.676 120.771 120.300 -0.343 0.000 2.274 203 Y HA -0.193 4.357 4.550 -0.001 0.000 0.290 203 Y C 2.588 178.359 175.900 -0.215 0.000 1.145 203 Y CA 2.145 60.052 58.100 -0.322 0.000 1.203 203 Y CB -0.097 38.056 38.460 -0.512 0.000 0.984 203 Y HN 0.387 nan 8.280 nan 0.000 0.533 204 E N 0.257 120.394 120.200 -0.105 0.000 2.028 204 E HA -0.284 4.065 4.350 -0.001 0.000 0.191 204 E C 2.036 178.566 176.600 -0.117 0.000 0.988 204 E CA 1.525 57.889 56.400 -0.060 0.000 0.799 204 E CB -0.005 29.676 29.700 -0.031 0.000 0.755 204 E HN 0.429 nan 8.360 nan 0.000 0.447 205 E N 0.058 120.020 120.200 -0.397 0.000 2.112 205 E HA -0.157 4.192 4.350 -0.001 0.000 0.190 205 E C 1.806 178.252 176.600 -0.256 0.000 0.979 205 E CA 1.309 57.464 56.400 -0.408 0.000 0.814 205 E CB 0.146 29.238 29.700 -1.015 0.000 0.762 205 E HN 0.171 nan 8.360 nan 0.000 0.460 206 E N -0.412 119.600 120.200 -0.313 0.000 2.132 206 E HA 0.003 4.352 4.350 -0.001 0.000 0.193 206 E C 2.097 178.544 176.600 -0.255 0.000 0.951 206 E CA 1.236 57.498 56.400 -0.231 0.000 0.843 206 E CB -0.164 29.368 29.700 -0.279 0.000 0.807 206 E HN 0.291 nan 8.360 nan 0.000 0.467 207 V N -1.114 118.577 119.914 -0.372 0.000 2.788 207 V HA 0.076 4.195 4.120 -0.001 0.000 0.241 207 V C 1.526 177.371 176.094 -0.416 0.000 1.083 207 V CA 0.740 62.763 62.300 -0.461 0.000 1.103 207 V CB -0.219 31.162 31.823 -0.736 0.000 0.800 207 V HN 0.018 nan 8.190 nan 0.000 0.476 208 F N 0.905 120.833 119.950 -0.036 0.000 2.656 208 F HA 0.447 4.973 4.527 -0.001 0.000 0.291 208 F C 1.837 177.580 175.800 -0.096 0.000 1.122 208 F CA 0.741 58.743 58.000 0.004 0.000 1.427 208 F CB -0.139 38.910 39.000 0.082 0.000 1.125 208 F HN 0.223 nan 8.300 nan 0.000 0.583 209 S N 0.061 115.747 115.700 -0.023 0.000 3.641 209 S HA -0.046 4.423 4.470 -0.001 0.000 0.346 209 S C -0.127 174.023 174.600 -0.750 0.000 1.074 209 S CA 0.324 58.371 58.200 -0.255 0.000 1.026 209 S CB -1.395 61.742 63.200 -0.104 0.000 0.908 209 S HN 0.685 nan 8.310 nan 0.000 0.479 210 A N -0.355 122.222 122.820 -0.406 0.000 2.610 210 A HA 0.692 5.011 4.320 -0.001 0.000 0.291 210 A C -0.358 177.170 177.584 -0.093 0.000 1.086 210 A CA -0.160 51.679 52.037 -0.331 0.000 0.677 210 A CB 0.232 19.089 19.000 -0.238 0.000 1.278 210 A HN 0.582 nan 8.150 nan 0.000 0.414 211 Y N 1.151 121.288 120.300 -0.272 0.000 2.347 211 Y HA 0.230 4.780 4.550 -0.001 0.000 0.294 211 Y C 1.538 177.153 175.900 -0.475 0.000 1.117 211 Y CA 1.035 58.992 58.100 -0.238 0.000 1.184 211 Y CB -0.071 38.312 38.460 -0.128 0.000 1.047 211 Y HN 0.638 nan 8.280 nan 0.000 0.546 212 S N 0.681 115.828 115.700 -0.921 0.000 2.533 212 S HA 0.420 4.889 4.470 -0.001 0.000 0.282 212 S C 0.327 174.340 174.600 -0.979 0.000 1.304 212 S CA 0.219 57.613 58.200 -1.344 0.000 1.063 212 S CB 0.307 62.215 63.200 -2.153 0.000 0.881 212 S HN 0.445 nan 8.310 nan 0.000 0.493 213 A N 4.726 126.989 122.820 -0.928 0.000 2.795 213 A HA 0.515 4.834 4.320 -0.001 0.000 0.282 213 A C -0.804 176.029 177.584 -1.251 0.000 0.964 213 A CA -0.612 50.816 52.037 -1.016 0.000 1.045 213 A CB -0.347 18.493 19.000 -0.267 0.000 1.174 213 A HN 0.773 nan 8.150 nan 0.000 0.493 214 L N -4.467 115.917 121.223 -1.399 0.000 2.401 214 L HA 0.863 5.202 4.340 -0.001 0.000 0.266 214 L C -1.204 175.141 176.870 -0.876 0.000 0.991 214 L CA -1.255 53.070 54.840 -0.859 0.000 0.818 214 L CB 1.024 42.818 42.059 -0.441 0.000 1.321 214 L HN 0.229 nan 8.230 nan 0.000 0.413 215 W N 1.785 123.120 121.300 0.059 0.000 2.631 215 W HA 0.326 4.985 4.660 -0.001 0.000 0.321 215 W C -1.299 175.478 176.519 0.431 0.000 1.004 215 W CA -0.812 56.694 57.345 0.268 0.000 1.291 215 W CB 1.397 31.040 29.460 0.305 0.000 1.300 215 W HN 0.623 nan 8.180 nan 0.000 0.422 216 W N 2.212 123.756 121.300 0.408 0.000 2.112 216 W HA 0.206 4.865 4.660 -0.001 0.000 0.349 216 W C 1.331 177.788 176.519 -0.104 0.000 1.289 216 W CA 0.483 57.946 57.345 0.198 0.000 1.256 216 W CB 0.747 30.276 29.460 0.116 0.000 1.148 216 W HN 0.189 nan 8.180 nan 0.000 0.590 217 S N 1.712 117.263 115.700 -0.248 0.000 2.652 217 S HA 0.323 4.792 4.470 -0.001 0.000 0.270 217 S C -1.805 172.567 174.600 -0.380 0.000 1.243 217 S CA -1.137 56.342 58.200 -1.203 0.000 0.999 217 S CB 1.409 63.857 63.200 -1.253 0.000 0.973 217 S HN 0.253 nan 8.310 nan 0.000 0.544 218 P HA -0.199 nan 4.420 nan 0.000 0.219 218 P C 0.803 178.074 177.300 -0.048 0.000 1.161 218 P CA 1.790 64.857 63.100 -0.055 0.000 0.909 218 P CB -0.219 31.486 31.700 0.009 0.000 0.793 219 N N -1.902 116.757 118.700 -0.067 0.000 2.276 219 N HA 0.117 4.856 4.740 -0.001 0.000 0.212 219 N C 1.096 176.544 175.510 -0.102 0.000 1.127 219 N CA 0.470 53.479 53.050 -0.068 0.000 0.834 219 N CB -0.801 37.658 38.487 -0.045 0.000 1.014 219 N HN 0.229 nan 8.380 nan 0.000 0.491 220 G N -0.486 108.259 108.800 -0.092 0.000 2.189 220 G HA2 -0.392 3.567 3.960 -0.001 0.000 0.267 220 G HA3 -0.392 3.567 3.960 -0.001 0.000 0.267 220 G C 1.027 175.990 174.900 0.104 0.000 0.975 220 G CA 1.039 46.085 45.100 -0.091 0.000 0.644 220 G HN 0.402 nan 8.290 nan 0.000 0.537 221 T N 0.069 114.603 114.554 -0.033 0.000 2.643 221 T HA 0.142 4.491 4.350 -0.001 0.000 0.264 221 T C 0.951 175.542 174.700 -0.181 0.000 1.045 221 T CA 1.435 63.422 62.100 -0.190 0.000 1.155 221 T CB -0.111 68.502 68.868 -0.424 0.000 0.863 221 T HN 0.279 nan 8.240 nan 0.000 0.420 222 F N 0.197 120.180 119.950 0.055 0.000 2.432 222 F HA 0.627 5.153 4.527 -0.001 0.000 0.329 222 F C -0.158 175.705 175.800 0.105 0.000 1.076 222 F CA -1.564 56.488 58.000 0.087 0.000 1.018 222 F CB 1.068 40.157 39.000 0.148 0.000 1.201 222 F HN -0.077 nan 8.300 nan 0.000 0.489 223 L N 2.514 123.891 121.223 0.256 0.000 2.406 223 L HA 0.773 5.112 4.340 -0.001 0.000 0.270 223 L C -0.720 176.220 176.870 0.116 0.000 0.982 223 L CA -0.404 54.411 54.840 -0.041 0.000 0.843 223 L CB 0.851 42.604 42.059 -0.510 0.000 1.225 223 L HN 0.662 nan 8.230 nan 0.000 0.412 224 A N 4.472 127.437 122.820 0.242 0.000 2.295 224 A HA 0.818 5.137 4.320 -0.001 0.000 0.318 224 A C -1.362 176.238 177.584 0.027 0.000 1.134 224 A CA -0.217 51.805 52.037 -0.025 0.000 0.827 224 A CB 0.635 19.684 19.000 0.082 0.000 1.136 224 A HN 0.888 nan 8.150 nan 0.000 0.493 225 Y N -2.137 117.919 120.300 -0.406 0.000 2.656 225 Y HA 0.749 5.298 4.550 -0.001 0.000 0.334 225 Y C -0.354 175.388 175.900 -0.264 0.000 1.179 225 Y CA -0.878 57.082 58.100 -0.234 0.000 1.050 225 Y CB 0.850 39.143 38.460 -0.280 0.000 1.308 225 Y HN 0.931 nan 8.280 nan 0.000 0.456 226 A N 1.854 124.767 122.820 0.156 0.000 2.330 226 A HA 0.714 5.033 4.320 -0.001 0.000 0.329 226 A C -1.265 176.210 177.584 -0.182 0.000 1.135 226 A CA -0.867 51.155 52.037 -0.025 0.000 0.817 226 A CB 1.886 20.850 19.000 -0.060 0.000 1.269 226 A HN 0.791 nan 8.150 nan 0.000 0.469 227 Q N 0.897 120.509 119.800 -0.314 0.000 2.304 227 Q HA 0.582 4.922 4.340 -0.001 0.000 0.270 227 Q C -2.084 173.683 176.000 -0.389 0.000 1.035 227 Q CA -0.343 55.352 55.803 -0.180 0.000 0.781 227 Q CB 1.159 29.991 28.738 0.157 0.000 1.261 227 Q HN 0.599 nan 8.270 nan 0.000 0.444 228 F N 2.137 122.189 119.950 0.169 0.000 2.480 228 F HA 0.438 4.964 4.527 -0.001 0.000 0.329 228 F C 0.469 176.430 175.800 0.269 0.000 1.091 228 F CA -0.902 57.189 58.000 0.151 0.000 0.972 228 F CB 1.399 40.413 39.000 0.023 0.000 1.150 228 F HN 0.410 nan 8.300 nan 0.000 0.467 229 N N 1.710 120.644 118.700 0.390 0.000 2.483 229 N HA 0.212 4.951 4.740 -0.001 0.000 0.267 229 N C -0.898 174.796 175.510 0.307 0.000 0.998 229 N CA -0.302 52.928 53.050 0.300 0.000 0.918 229 N CB 1.109 39.716 38.487 0.200 0.000 1.215 229 N HN 0.546 nan 8.380 nan 0.000 0.500 230 D N 1.512 122.116 120.400 0.340 0.000 2.368 230 D HA 0.119 4.758 4.640 -0.001 0.000 0.218 230 D C 1.312 177.733 176.300 0.201 0.000 1.112 230 D CA 0.163 54.343 54.000 0.300 0.000 0.834 230 D CB 0.518 41.569 40.800 0.418 0.000 0.953 230 D HN 0.480 nan 8.370 nan 0.000 0.505 231 T N 0.637 115.287 114.554 0.159 0.000 2.624 231 T HA -0.241 4.108 4.350 -0.001 0.000 0.266 231 T C 1.133 175.892 174.700 0.097 0.000 1.050 231 T CA 1.437 63.603 62.100 0.109 0.000 1.163 231 T CB -0.068 68.853 68.868 0.089 0.000 0.861 231 T HN 0.319 nan 8.240 nan 0.000 0.443 232 E N 0.524 120.783 120.200 0.100 0.000 2.423 232 E HA 0.206 4.555 4.350 -0.001 0.000 0.198 232 E C -0.705 175.949 176.600 0.091 0.000 1.038 232 E CA -0.239 56.210 56.400 0.083 0.000 1.011 232 E CB 0.588 30.329 29.700 0.068 0.000 1.118 232 E HN 0.223 nan 8.360 nan 0.000 0.451 233 V N 3.049 123.032 119.914 0.115 0.000 2.461 233 V HA 0.159 4.279 4.120 -0.001 0.000 0.275 233 V C -1.994 174.164 176.094 0.106 0.000 1.047 233 V CA -1.774 60.600 62.300 0.123 0.000 0.955 233 V CB 0.714 32.633 31.823 0.159 0.000 0.988 233 V HN 0.068 nan 8.190 nan 0.000 0.471 234 P HA 0.236 nan 4.420 nan 0.000 0.270 234 P C -0.713 176.630 177.300 0.072 0.000 1.223 234 P CA -0.165 62.977 63.100 0.070 0.000 0.785 234 P CB 0.504 32.242 31.700 0.064 0.000 0.923 235 L N 1.698 122.939 121.223 0.030 0.000 2.334 235 L HA 0.513 4.853 4.340 -0.001 0.000 0.275 235 L C 0.159 176.984 176.870 -0.075 0.000 1.036 235 L CA -0.970 53.871 54.840 0.002 0.000 0.807 235 L CB 1.114 43.167 42.059 -0.009 0.000 1.231 235 L HN 0.268 nan 8.230 nan 0.000 0.438 236 I N 1.784 122.267 120.570 -0.146 0.000 2.392 236 I HA 0.314 4.483 4.170 -0.001 0.000 0.295 236 I C -0.538 175.436 176.117 -0.239 0.000 0.985 236 I CA 0.003 61.117 61.300 -0.311 0.000 1.221 236 I CB 1.228 38.811 38.000 -0.695 0.000 1.366 236 I HN 0.564 nan 8.210 nan 0.000 0.467 237 E N 7.398 127.471 120.200 -0.212 0.000 2.234 237 E HA 0.528 4.878 4.350 -0.001 0.000 0.266 237 E C -1.808 174.717 176.600 -0.125 0.000 0.877 237 E CA -0.593 55.678 56.400 -0.215 0.000 0.758 237 E CB 2.133 31.736 29.700 -0.161 0.000 1.170 237 E HN 0.551 nan 8.360 nan 0.000 0.415 238 Y N -1.713 118.496 120.300 -0.151 0.000 2.609 238 Y HA 0.556 5.106 4.550 -0.001 0.000 0.336 238 Y C -0.632 175.197 175.900 -0.119 0.000 1.129 238 Y CA -1.283 56.736 58.100 -0.133 0.000 1.040 238 Y CB 0.821 39.209 38.460 -0.121 0.000 1.310 238 Y HN 0.210 nan 8.280 nan 0.000 0.460 239 S N 1.645 117.319 115.700 -0.044 0.000 2.584 239 S HA 0.504 4.973 4.470 -0.001 0.000 0.273 239 S C -1.456 172.990 174.600 -0.256 0.000 1.311 239 S CA -0.371 57.659 58.200 -0.283 0.000 1.034 239 S CB 0.504 63.380 63.200 -0.541 0.000 0.939 239 S HN 0.536 nan 8.310 nan 0.000 0.513 240 F N 2.233 121.903 119.950 -0.466 0.000 2.499 240 F HA 0.425 4.951 4.527 -0.001 0.000 0.333 240 F C -0.378 175.202 175.800 -0.366 0.000 1.138 240 F CA -0.958 56.885 58.000 -0.262 0.000 0.945 240 F CB 0.709 39.664 39.000 -0.075 0.000 1.181 240 F HN 0.640 nan 8.300 nan 0.000 0.435 241 Y N 2.729 122.799 120.300 -0.383 0.000 2.420 241 Y HA 0.106 4.655 4.550 -0.001 0.000 0.292 241 Y C 1.810 177.600 175.900 -0.184 0.000 1.119 241 Y CA 1.036 59.004 58.100 -0.220 0.000 1.229 241 Y CB -0.702 37.634 38.460 -0.207 0.000 1.026 241 Y HN 0.737 nan 8.280 nan 0.000 0.554 242 S N -0.260 115.272 115.700 -0.281 0.000 3.251 242 S HA -0.238 4.231 4.470 -0.001 0.000 0.633 242 S C -0.441 174.181 174.600 0.036 0.000 2.788 242 S CA 0.517 58.718 58.200 0.002 0.000 3.086 242 S CB -1.215 62.141 63.200 0.259 0.000 0.327 242 S HN 0.476 nan 8.310 nan 0.000 1.718 243 D N 1.751 122.202 120.400 0.085 0.000 2.423 243 D HA 0.152 4.791 4.640 -0.001 0.000 0.238 243 D C 1.377 177.704 176.300 0.044 0.000 1.142 243 D CA 0.501 54.536 54.000 0.059 0.000 0.884 243 D CB 0.338 41.176 40.800 0.064 0.000 1.199 243 D HN 0.611 nan 8.370 nan 0.000 0.438 244 E N 0.961 121.177 120.200 0.027 0.000 2.169 244 E HA -0.279 4.070 4.350 -0.001 0.000 0.202 244 E C 1.507 178.121 176.600 0.022 0.000 1.016 244 E CA 1.747 58.156 56.400 0.016 0.000 0.817 244 E CB 0.119 29.823 29.700 0.007 0.000 0.736 244 E HN 0.472 nan 8.360 nan 0.000 0.462 245 S N 0.129 115.848 115.700 0.030 0.000 2.507 245 S HA -0.084 4.386 4.470 -0.001 0.000 0.235 245 S C 1.141 175.769 174.600 0.046 0.000 0.988 245 S CA 0.059 58.279 58.200 0.033 0.000 0.944 245 S CB -0.222 62.998 63.200 0.033 0.000 0.762 245 S HN 0.280 nan 8.310 nan 0.000 0.526 246 L N 2.389 123.647 121.223 0.058 0.000 2.485 246 L HA 0.124 4.463 4.340 -0.001 0.000 0.279 246 L C 1.608 178.523 176.870 0.075 0.000 1.124 246 L CA -0.030 54.858 54.840 0.079 0.000 0.888 246 L CB 0.746 42.861 42.059 0.094 0.000 1.217 246 L HN 0.427 nan 8.230 nan 0.000 0.464 247 Q N 4.032 123.891 119.800 0.097 0.000 2.046 247 Q HA -0.128 4.211 4.340 -0.001 0.000 0.200 247 Q C -0.544 175.457 176.000 0.001 0.000 0.975 247 Q CA 1.484 57.325 55.803 0.063 0.000 0.836 247 Q CB 0.181 29.009 28.738 0.150 0.000 0.896 247 Q HN 0.579 nan 8.270 nan 0.000 0.428 248 Y N 0.537 120.845 120.300 0.013 0.000 2.335 248 Y HA 0.373 4.922 4.550 -0.001 0.000 0.338 248 Y C -2.034 173.865 175.900 -0.001 0.000 0.977 248 Y CA -3.002 55.102 58.100 0.005 0.000 1.114 248 Y CB 1.214 39.669 38.460 -0.007 0.000 1.182 248 Y HN 0.158 nan 8.280 nan 0.000 0.463 249 P HA 0.063 nan 4.420 nan 0.000 0.268 249 P C -0.952 176.341 177.300 -0.011 0.000 1.208 249 P CA -0.429 62.665 63.100 -0.011 0.000 0.777 249 P CB 0.539 32.157 31.700 -0.136 0.000 0.875 250 K N -0.031 120.350 120.400 -0.031 0.000 2.118 250 K HA 0.568 4.887 4.320 -0.001 0.000 0.254 250 K C -0.767 175.778 176.600 -0.092 0.000 0.961 250 K CA -0.705 55.566 56.287 -0.027 0.000 0.876 250 K CB 0.595 33.102 32.500 0.011 0.000 1.077 250 K HN 0.172 nan 8.250 nan 0.000 0.440 251 T N 1.841 116.329 114.554 -0.110 0.000 2.753 251 T HA 0.196 4.546 4.350 -0.001 0.000 0.297 251 T C -0.249 174.321 174.700 -0.217 0.000 0.981 251 T CA -0.693 61.306 62.100 -0.168 0.000 0.956 251 T CB 0.846 69.632 68.868 -0.136 0.000 0.936 251 T HN 0.344 nan 8.240 nan 0.000 0.463 252 V N 6.267 125.961 119.914 -0.367 0.000 2.498 252 V HA 0.482 4.601 4.120 -0.001 0.000 0.279 252 V C 0.430 176.251 176.094 -0.454 0.000 1.048 252 V CA -0.583 61.461 62.300 -0.427 0.000 0.967 252 V CB 0.506 31.962 31.823 -0.612 0.000 0.988 252 V HN 0.776 nan 8.190 nan 0.000 0.473 253 R N 4.455 124.820 120.500 -0.226 0.000 2.514 253 R HA 0.776 5.115 4.340 -0.001 0.000 0.296 253 R C -1.564 174.725 176.300 -0.018 0.000 1.012 253 R CA -0.577 55.433 56.100 -0.151 0.000 0.897 253 R CB 1.668 31.904 30.300 -0.107 0.000 1.184 253 R HN 0.499 nan 8.270 nan 0.000 0.440 254 V N 1.061 120.977 119.914 0.005 0.000 2.789 254 V HA 0.593 4.713 4.120 -0.001 0.000 0.311 254 V C -2.811 173.349 176.094 0.110 0.000 1.073 254 V CA -2.524 59.852 62.300 0.127 0.000 0.921 254 V CB 2.643 34.581 31.823 0.192 0.000 1.009 254 V HN 0.600 nan 8.190 nan 0.000 0.426 255 P HA 0.239 nan 4.420 nan 0.000 0.265 255 P C -1.761 175.667 177.300 0.213 0.000 1.222 255 P CA 0.603 63.823 63.100 0.200 0.000 0.767 255 P CB -0.342 31.519 31.700 0.269 0.000 0.801 256 Y N 6.633 126.930 120.300 -0.005 0.000 2.315 256 Y HA 0.385 4.934 4.550 -0.001 0.000 0.324 256 Y C -2.734 173.163 175.900 -0.005 0.000 1.062 256 Y CA -2.895 55.166 58.100 -0.065 0.000 1.159 256 Y CB 1.826 40.125 38.460 -0.267 0.000 1.145 256 Y HN 0.281 nan 8.280 nan 0.000 0.442 257 P HA 0.264 nan 4.420 nan 0.000 0.287 257 P C -1.030 176.349 177.300 0.132 0.000 1.307 257 P CA -0.262 62.909 63.100 0.118 0.000 0.777 257 P CB 1.521 33.267 31.700 0.077 0.000 0.883 258 K N 2.007 122.555 120.400 0.246 0.000 2.098 258 K HA 0.517 4.836 4.320 -0.001 0.000 0.244 258 K C 0.481 177.195 176.600 0.189 0.000 1.014 258 K CA -0.780 55.672 56.287 0.275 0.000 0.917 258 K CB 0.672 33.343 32.500 0.286 0.000 1.072 258 K HN 0.451 nan 8.250 nan 0.000 0.477 259 A N 0.926 123.882 122.820 0.227 0.000 2.583 259 A HA 0.216 4.535 4.320 -0.001 0.000 0.249 259 A C 1.223 178.850 177.584 0.072 0.000 1.035 259 A CA 1.197 53.349 52.037 0.192 0.000 0.777 259 A CB -1.383 17.806 19.000 0.315 0.000 0.942 259 A HN 0.927 nan 8.150 nan 0.000 0.516 260 G N 1.111 109.947 108.800 0.060 0.000 2.225 260 G HA2 0.097 4.057 3.960 -0.001 0.000 0.254 260 G HA3 0.097 4.057 3.960 -0.001 0.000 0.254 260 G C 0.767 175.687 174.900 0.034 0.000 0.988 260 G CA 0.788 45.897 45.100 0.015 0.000 0.625 260 G HN 2.225 nan 8.290 nan 0.000 0.527 261 A N -0.221 122.636 122.820 0.062 0.000 2.292 261 A HA 0.679 4.999 4.320 -0.001 0.000 0.265 261 A C 0.909 178.532 177.584 0.065 0.000 1.133 261 A CA 0.483 52.560 52.037 0.066 0.000 0.807 261 A CB 0.404 19.460 19.000 0.093 0.000 1.102 261 A HN 1.189 nan 8.150 nan 0.000 0.502 262 V N 2.397 122.350 119.914 0.065 0.000 2.521 262 V HA 0.062 4.181 4.120 -0.001 0.000 0.286 262 V C 0.294 176.440 176.094 0.087 0.000 1.034 262 V CA -0.324 62.014 62.300 0.065 0.000 1.045 262 V CB -0.082 31.778 31.823 0.063 0.000 0.974 262 V HN 0.784 nan 8.190 nan 0.000 0.480 263 N N 6.270 125.021 118.700 0.084 0.000 2.463 263 N HA 0.465 5.204 4.740 -0.001 0.000 0.270 263 N C -2.302 173.302 175.510 0.156 0.000 1.205 263 N CA -1.391 51.734 53.050 0.126 0.000 0.974 263 N CB 0.841 39.401 38.487 0.123 0.000 1.197 263 N HN 0.404 nan 8.380 nan 0.000 0.504 264 P HA 0.153 nan 4.420 nan 0.000 0.276 264 P C -0.555 176.907 177.300 0.270 0.000 1.252 264 P CA -0.183 63.080 63.100 0.272 0.000 0.802 264 P CB 0.472 32.377 31.700 0.341 0.000 1.035 265 T N -2.180 112.518 114.554 0.239 0.000 2.945 265 T HA 0.584 4.934 4.350 -0.001 0.000 0.286 265 T C -0.244 174.602 174.700 0.243 0.000 1.025 265 T CA -0.849 61.355 62.100 0.173 0.000 1.039 265 T CB 1.517 70.452 68.868 0.111 0.000 1.068 265 T HN 0.347 nan 8.240 nan 0.000 0.497 266 V N 0.315 120.357 119.914 0.214 0.000 2.914 266 V HA 0.808 4.927 4.120 -0.001 0.000 0.314 266 V C -1.506 174.702 176.094 0.191 0.000 1.084 266 V CA -0.862 61.545 62.300 0.178 0.000 0.963 266 V CB 2.011 34.006 31.823 0.286 0.000 1.025 266 V HN 1.032 nan 8.190 nan 0.000 0.432 267 K N 3.997 124.450 120.400 0.090 0.000 2.502 267 K HA 0.548 4.867 4.320 -0.001 0.000 0.257 267 K C -2.025 174.587 176.600 0.020 0.000 0.938 267 K CA -0.449 55.885 56.287 0.079 0.000 0.819 267 K CB 2.649 35.212 32.500 0.104 0.000 1.333 267 K HN 0.564 nan 8.250 nan 0.000 0.434 268 F N 2.176 121.920 119.950 -0.344 0.000 2.508 268 F HA 0.602 5.128 4.527 -0.001 0.000 0.325 268 F C -1.375 173.908 175.800 -0.862 0.000 1.090 268 F CA -0.728 57.022 58.000 -0.417 0.000 0.945 268 F CB 0.886 39.730 39.000 -0.260 0.000 1.156 268 F HN 0.373 nan 8.300 nan 0.000 0.463 269 F N 3.527 122.753 119.950 -1.206 0.000 2.599 269 F HA 0.706 5.232 4.527 -0.001 0.000 0.311 269 F C -1.051 174.034 175.800 -1.191 0.000 1.076 269 F CA -1.146 56.206 58.000 -1.080 0.000 0.937 269 F CB 2.176 40.438 39.000 -1.231 0.000 1.282 269 F HN 0.089 nan 8.300 nan 0.000 0.460 270 V N 3.172 122.788 119.914 -0.496 0.000 2.482 270 V HA 0.534 4.653 4.120 -0.001 0.000 0.295 270 V C -0.932 175.181 176.094 0.032 0.000 1.026 270 V CA -0.763 61.328 62.300 -0.348 0.000 0.856 270 V CB 1.708 33.088 31.823 -0.738 0.000 1.001 270 V HN 0.621 nan 8.190 nan 0.000 0.424 271 V N 4.370 124.374 119.914 0.151 0.000 2.881 271 V HA 0.549 4.668 4.120 -0.001 0.000 0.316 271 V C -0.066 176.225 176.094 0.329 0.000 1.070 271 V CA -0.659 61.777 62.300 0.227 0.000 0.976 271 V CB 2.140 34.059 31.823 0.159 0.000 1.038 271 V HN 0.989 nan 8.190 nan 0.000 0.446 272 N N 2.133 120.980 118.700 0.244 0.000 2.527 272 N HA 0.199 4.939 4.740 -0.001 0.000 0.236 272 N C 0.839 176.326 175.510 -0.038 0.000 0.999 272 N CA 0.170 53.272 53.050 0.086 0.000 0.935 272 N CB 0.987 39.491 38.487 0.028 0.000 1.132 272 N HN 0.875 nan 8.380 nan 0.000 0.511 273 T N -0.270 114.260 114.554 -0.039 0.000 3.427 273 T HA 0.007 4.356 4.350 -0.001 0.000 0.256 273 T C 0.292 174.938 174.700 -0.091 0.000 1.172 273 T CA 0.448 62.522 62.100 -0.044 0.000 1.018 273 T CB 0.005 68.945 68.868 0.119 0.000 0.981 273 T HN 0.426 nan 8.240 nan 0.000 0.555 274 D N 0.368 120.691 120.400 -0.128 0.000 2.473 274 D HA 0.142 4.781 4.640 -0.001 0.000 0.230 274 D C 0.602 176.841 176.300 -0.102 0.000 1.097 274 D CA 0.129 54.058 54.000 -0.119 0.000 0.861 274 D CB 0.547 41.262 40.800 -0.141 0.000 1.114 274 D HN 0.333 nan 8.370 nan 0.000 0.500 275 S N 1.384 117.028 115.700 -0.093 0.000 2.489 275 S HA 0.255 4.724 4.470 -0.001 0.000 0.237 275 S C 0.320 174.880 174.600 -0.068 0.000 1.220 275 S CA -0.414 57.755 58.200 -0.052 0.000 1.231 275 S CB -0.233 62.962 63.200 -0.008 0.000 0.900 275 S HN 0.229 nan 8.310 nan 0.000 0.492 276 L N -0.704 120.427 121.223 -0.152 0.000 2.343 276 L HA 0.666 5.006 4.340 -0.001 0.000 0.278 276 L C 0.703 177.466 176.870 -0.177 0.000 0.996 276 L CA -0.772 53.935 54.840 -0.221 0.000 0.831 276 L CB 1.340 43.135 42.059 -0.441 0.000 1.232 276 L HN 0.209 nan 8.230 nan 0.000 0.413 277 S N 3.461 119.179 115.700 0.031 0.000 2.455 277 S HA -0.023 4.446 4.470 -0.001 0.000 0.199 277 S C 0.961 175.798 174.600 0.395 0.000 1.169 277 S CA 1.192 59.488 58.200 0.161 0.000 1.503 277 S CB -0.501 62.773 63.200 0.124 0.000 0.960 277 S HN 1.441 nan 8.310 nan 0.000 0.385 278 S N -2.286 113.615 115.700 0.336 0.000 4.652 278 S HA 0.019 4.488 4.470 -0.001 0.000 0.043 278 S C 0.262 174.947 174.600 0.142 0.000 0.859 278 S CA 0.146 58.493 58.200 0.245 0.000 0.938 278 S CB -1.184 62.096 63.200 0.133 0.000 0.398 278 S HN 0.632 nan 8.310 nan 0.000 0.800 279 V N 0.910 120.911 119.914 0.144 0.000 3.245 279 V HA 0.323 4.442 4.120 -0.001 0.000 0.246 279 V C 0.910 177.061 176.094 0.096 0.000 1.487 279 V CA 1.039 63.397 62.300 0.098 0.000 1.154 279 V CB 0.446 32.312 31.823 0.071 0.000 0.971 279 V HN 0.525 nan 8.190 nan 0.000 0.443 280 T N 1.866 116.486 114.554 0.110 0.000 2.899 280 T HA 0.343 4.692 4.350 -0.001 0.000 0.284 280 T C -0.177 174.602 174.700 0.132 0.000 1.004 280 T CA -0.187 61.967 62.100 0.089 0.000 1.043 280 T CB 0.655 69.569 68.868 0.075 0.000 1.013 280 T HN 0.145 nan 8.240 nan 0.000 0.518 281 N N 1.688 120.444 118.700 0.093 0.000 2.414 281 N HA 0.451 5.191 4.740 -0.001 0.000 0.256 281 N C -0.129 175.470 175.510 0.148 0.000 1.029 281 N CA -0.360 52.786 53.050 0.160 0.000 0.948 281 N CB 0.980 39.459 38.487 -0.013 0.000 1.102 281 N HN 0.827 nan 8.380 nan 0.000 0.496 282 A N 2.263 125.188 122.820 0.176 0.000 2.584 282 A HA 0.080 4.399 4.320 -0.001 0.000 0.239 282 A C 0.344 177.990 177.584 0.102 0.000 1.043 282 A CA 0.414 52.511 52.037 0.100 0.000 0.756 282 A CB -0.252 18.779 19.000 0.051 0.000 0.963 282 A HN 0.530 nan 8.150 nan 0.000 0.511 283 T N 3.237 117.846 114.554 0.093 0.000 2.743 283 T HA 0.406 4.755 4.350 -0.001 0.000 0.293 283 T C 0.186 174.968 174.700 0.137 0.000 0.945 283 T CA -0.020 62.145 62.100 0.107 0.000 1.030 283 T CB 0.650 69.583 68.868 0.107 0.000 0.912 283 T HN 0.568 nan 8.240 nan 0.000 0.483 284 S N 3.477 119.260 115.700 0.137 0.000 2.422 284 S HA 0.409 4.878 4.470 -0.001 0.000 0.308 284 S C 0.015 174.782 174.600 0.279 0.000 1.097 284 S CA -0.749 57.558 58.200 0.178 0.000 1.099 284 S CB 0.192 63.444 63.200 0.087 0.000 0.976 284 S HN 0.444 nan 8.310 nan 0.000 0.471 285 I N 3.267 123.992 120.570 0.258 0.000 2.352 285 I HA 0.203 4.372 4.170 -0.001 0.000 0.290 285 I C 0.607 176.799 176.117 0.125 0.000 1.036 285 I CA 0.051 61.502 61.300 0.253 0.000 1.336 285 I CB 0.687 38.906 38.000 0.364 0.000 1.407 285 I HN 0.600 nan 8.210 nan 0.000 0.497 286 Q N 6.157 125.982 119.800 0.042 0.000 2.259 286 Q HA 0.527 4.866 4.340 -0.001 0.000 0.249 286 Q C -1.052 174.829 176.000 -0.198 0.000 0.914 286 Q CA -0.426 55.145 55.803 -0.386 0.000 0.904 286 Q CB 1.017 29.469 28.738 -0.476 0.000 1.213 286 Q HN 0.561 nan 8.270 nan 0.000 0.428 287 I N 4.023 124.459 120.570 -0.224 0.000 2.382 287 I HA 0.218 4.388 4.170 -0.001 0.000 0.286 287 I C 0.572 176.660 176.117 -0.049 0.000 1.002 287 I CA -0.412 60.855 61.300 -0.054 0.000 1.135 287 I CB 1.599 39.608 38.000 0.015 0.000 1.288 287 I HN 0.797 nan 8.210 nan 0.000 0.448 288 T N 3.211 117.711 114.554 -0.091 0.000 2.960 288 T HA 0.827 5.176 4.350 -0.001 0.000 0.279 288 T C 0.803 175.317 174.700 -0.310 0.000 1.171 288 T CA 0.253 62.247 62.100 -0.177 0.000 0.952 288 T CB 0.910 69.678 68.868 -0.167 0.000 2.127 288 T HN 0.891 nan 8.240 nan 0.000 0.573 289 A N 0.949 123.527 122.820 -0.403 0.000 6.182 289 A HA -0.027 4.292 4.320 -0.001 0.000 0.285 289 A C -2.420 174.620 177.584 -0.907 0.000 1.979 289 A CA 0.313 52.050 52.037 -0.500 0.000 0.740 289 A CB -2.801 16.023 19.000 -0.292 0.000 1.172 289 A HN 0.864 nan 8.150 nan 0.000 0.388 290 P HA 0.460 nan 4.420 nan 0.000 0.274 290 P C 0.990 178.091 177.300 -0.331 0.000 1.256 290 P CA 0.590 63.464 63.100 -0.376 0.000 0.795 290 P CB 0.497 32.047 31.700 -0.251 0.000 1.038 291 A N 0.961 123.658 122.820 -0.205 0.000 1.898 291 A HA -0.155 4.164 4.320 -0.001 0.000 0.216 291 A C 1.989 179.481 177.584 -0.153 0.000 1.181 291 A CA 2.198 54.134 52.037 -0.169 0.000 0.620 291 A CB -1.927 17.006 19.000 -0.112 0.000 0.819 291 A HN 0.599 nan 8.150 nan 0.000 0.442 292 S N -1.840 113.799 115.700 -0.103 0.000 2.571 292 S HA -0.056 4.413 4.470 -0.001 0.000 0.245 292 S C 1.438 175.998 174.600 -0.066 0.000 0.976 292 S CA 1.692 59.861 58.200 -0.053 0.000 0.954 292 S CB -0.213 63.037 63.200 0.082 0.000 0.756 292 S HN 0.439 nan 8.310 nan 0.000 0.535 293 M N -0.011 119.480 119.600 -0.181 0.000 2.564 293 M HA 0.490 4.969 4.480 -0.001 0.000 0.254 293 M C 1.426 177.487 176.300 -0.400 0.000 1.299 293 M CA 0.612 55.758 55.300 -0.257 0.000 1.143 293 M CB 0.084 32.442 32.600 -0.403 0.000 1.427 293 M HN 0.200 nan 8.290 nan 0.000 0.538 294 L N 0.766 121.736 121.223 -0.422 0.000 2.362 294 L HA -0.094 4.245 4.340 -0.001 0.000 0.219 294 L C 2.145 178.937 176.870 -0.132 0.000 1.134 294 L CA 0.699 55.343 54.840 -0.327 0.000 0.807 294 L CB -0.854 41.038 42.059 -0.277 0.000 0.927 294 L HN 0.427 nan 8.230 nan 0.000 0.447 295 I N -2.288 118.213 120.570 -0.116 0.000 2.315 295 I HA -0.051 4.118 4.170 -0.001 0.000 0.251 295 I C 1.134 177.232 176.117 -0.031 0.000 1.125 295 I CA 1.245 62.503 61.300 -0.069 0.000 1.392 295 I CB -0.605 37.349 38.000 -0.077 0.000 1.065 295 I HN 0.151 nan 8.210 nan 0.000 0.424 296 G N 0.006 108.807 108.800 0.002 0.000 2.731 296 G HA2 0.265 4.224 3.960 -0.001 0.000 0.309 296 G HA3 0.265 4.224 3.960 -0.001 0.000 0.309 296 G C -1.795 173.165 174.900 0.099 0.000 1.273 296 G CA -0.511 44.607 45.100 0.030 0.000 0.798 296 G HN 0.067 nan 8.290 nan 0.000 0.509 297 D N 1.505 121.910 120.400 0.008 0.000 2.487 297 D HA 0.374 5.013 4.640 -0.001 0.000 0.243 297 D C 0.380 176.605 176.300 -0.125 0.000 1.154 297 D CA 0.725 54.667 54.000 -0.097 0.000 0.876 297 D CB 0.242 40.957 40.800 -0.142 0.000 1.161 297 D HN 0.496 nan 8.370 nan 0.000 0.478 298 H N 0.015 118.955 119.070 -0.216 0.000 2.960 298 H HA 0.520 5.075 4.556 -0.001 0.000 0.338 298 H C -1.175 174.029 175.328 -0.206 0.000 1.261 298 H CA -0.798 55.130 56.048 -0.199 0.000 1.136 298 H CB 0.472 30.225 29.762 -0.015 0.000 1.875 298 H HN 0.266 nan 8.280 nan 0.000 0.550 299 Y N -0.343 120.168 120.300 0.352 0.000 2.605 299 Y HA 0.419 4.968 4.550 -0.001 0.000 0.343 299 Y C -0.575 175.620 175.900 0.491 0.000 1.036 299 Y CA -1.208 57.107 58.100 0.358 0.000 1.065 299 Y CB 1.938 40.452 38.460 0.089 0.000 1.288 299 Y HN 0.485 nan 8.280 nan 0.000 0.481 300 L N 2.547 124.144 121.223 0.624 0.000 2.276 300 L HA 0.447 4.786 4.340 -0.001 0.000 0.286 300 L C 0.222 177.118 176.870 0.043 0.000 1.024 300 L CA -0.476 54.420 54.840 0.093 0.000 0.826 300 L CB 0.486 42.558 42.059 0.021 0.000 1.211 300 L HN 0.931 nan 8.230 nan 0.000 0.422 301 C N 1.392 120.581 119.300 -0.185 0.000 3.038 301 C HA 0.555 5.014 4.460 -0.001 0.000 0.279 301 C C 0.102 174.892 174.990 -0.333 0.000 1.276 301 C CA -0.357 58.471 59.018 -0.318 0.000 1.697 301 C CB -1.105 26.515 27.740 -0.200 0.000 2.032 301 C HN 0.869 nan 8.230 nan 0.000 0.636 302 D N -0.145 120.077 120.400 -0.297 0.000 2.738 302 D HA 0.280 4.920 4.640 -0.001 0.000 0.229 302 D C -1.829 174.161 176.300 -0.518 0.000 1.200 302 D CA 0.097 53.946 54.000 -0.250 0.000 0.746 302 D CB 2.076 42.727 40.800 -0.248 0.000 1.597 302 D HN 0.470 nan 8.370 nan 0.000 0.471 303 V N 1.617 121.155 119.914 -0.628 0.000 2.612 303 V HA 0.800 4.919 4.120 -0.001 0.000 0.301 303 V C -1.616 174.071 176.094 -0.679 0.000 1.059 303 V CA 0.075 61.806 62.300 -0.949 0.000 0.886 303 V CB 1.768 32.619 31.823 -1.619 0.000 1.007 303 V HN 0.601 nan 8.190 nan 0.000 0.426 304 T N 6.033 120.298 114.554 -0.481 0.000 2.928 304 T HA 0.442 4.792 4.350 -0.001 0.000 0.296 304 T C -0.984 173.634 174.700 -0.136 0.000 1.000 304 T CA -0.178 61.807 62.100 -0.192 0.000 0.989 304 T CB 1.071 69.887 68.868 -0.086 0.000 1.005 304 T HN 0.774 nan 8.240 nan 0.000 0.442 305 W N 2.019 123.311 121.300 -0.013 0.000 2.216 305 W HA 0.474 5.133 4.660 -0.001 0.000 0.326 305 W C 1.193 177.671 176.519 -0.069 0.000 1.319 305 W CA -0.337 56.996 57.345 -0.019 0.000 1.213 305 W CB 0.564 30.073 29.460 0.081 0.000 1.171 305 W HN 0.889 nan 8.180 nan 0.000 0.557 306 A N 2.118 124.905 122.820 -0.055 0.000 1.884 306 A HA 0.139 4.458 4.320 -0.001 0.000 0.212 306 A C 1.045 178.605 177.584 -0.041 0.000 1.265 306 A CA 1.678 53.413 52.037 -0.504 0.000 0.626 306 A CB -0.638 17.640 19.000 -1.203 0.000 0.943 306 A HN 0.545 nan 8.150 nan 0.000 0.466 307 T N -5.525 109.086 114.554 0.095 0.000 2.645 307 T HA 0.367 4.716 4.350 -0.001 0.000 0.273 307 T C 0.423 175.259 174.700 0.228 0.000 0.960 307 T CA -0.370 61.822 62.100 0.153 0.000 1.051 307 T CB 0.627 69.563 68.868 0.115 0.000 1.366 307 T HN 0.010 nan 8.240 nan 0.000 0.536 308 Q N 0.342 120.249 119.800 0.178 0.000 2.291 308 Q HA 0.025 4.364 4.340 -0.001 0.000 0.206 308 Q C 1.092 177.297 176.000 0.341 0.000 0.976 308 Q CA 1.525 57.433 55.803 0.175 0.000 0.875 308 Q CB -0.104 28.717 28.738 0.138 0.000 0.927 308 Q HN 0.807 nan 8.270 nan 0.000 0.450 309 E N -0.716 119.713 120.200 0.382 0.000 2.676 309 E HA 0.167 4.516 4.350 -0.001 0.000 0.225 309 E C 0.004 176.904 176.600 0.501 0.000 0.944 309 E CA -0.180 56.498 56.400 0.463 0.000 1.156 309 E CB 1.229 31.128 29.700 0.332 0.000 1.117 309 E HN -0.052 nan 8.360 nan 0.000 0.523 310 R N 1.694 122.477 120.500 0.473 0.000 2.534 310 R HA 0.571 4.910 4.340 -0.001 0.000 0.301 310 R C -1.505 174.932 176.300 0.228 0.000 0.961 310 R CA -0.424 55.867 56.100 0.319 0.000 0.871 310 R CB 1.444 31.788 30.300 0.074 0.000 1.170 310 R HN 0.057 nan 8.270 nan 0.000 0.446 311 I N 2.292 122.835 120.570 -0.044 0.000 2.730 311 I HA 0.396 4.565 4.170 -0.001 0.000 0.298 311 I C -1.050 174.811 176.117 -0.426 0.000 1.089 311 I CA -0.497 60.512 61.300 -0.486 0.000 1.041 311 I CB 2.420 39.621 38.000 -1.332 0.000 1.235 311 I HN 0.800 nan 8.210 nan 0.000 0.423 312 S N 7.063 122.502 115.700 -0.435 0.000 2.503 312 S HA 0.791 5.260 4.470 -0.001 0.000 0.301 312 S C -1.144 173.144 174.600 -0.520 0.000 1.087 312 S CA -0.739 57.258 58.200 -0.339 0.000 1.042 312 S CB 1.923 65.051 63.200 -0.119 0.000 1.043 312 S HN 0.413 nan 8.310 nan 0.000 0.489 313 L N 1.717 122.630 121.223 -0.518 0.000 2.354 313 L HA 0.598 4.937 4.340 -0.001 0.000 0.269 313 L C -0.238 176.285 176.870 -0.579 0.000 1.005 313 L CA -0.343 54.050 54.840 -0.746 0.000 0.819 313 L CB 1.776 43.299 42.059 -0.894 0.000 1.311 313 L HN 0.867 nan 8.230 nan 0.000 0.423 314 Q N 1.239 120.634 119.800 -0.676 0.000 2.310 314 Q HA 0.409 4.748 4.340 -0.001 0.000 0.270 314 Q C -1.747 173.983 176.000 -0.450 0.000 1.025 314 Q CA -0.443 55.109 55.803 -0.417 0.000 0.772 314 Q CB 1.927 30.477 28.738 -0.312 0.000 1.253 314 Q HN 0.518 nan 8.270 nan 0.000 0.450 315 W N 2.860 124.095 121.300 -0.109 0.000 2.578 315 W HA 0.635 5.294 4.660 -0.001 0.000 0.346 315 W C -0.762 175.769 176.519 0.020 0.000 1.075 315 W CA -0.679 56.652 57.345 -0.023 0.000 1.233 315 W CB 1.040 30.477 29.460 -0.037 0.000 1.358 315 W HN 0.383 nan 8.180 nan 0.000 0.574 316 L N 2.568 124.010 121.223 0.365 0.000 2.409 316 L HA 0.544 4.883 4.340 -0.001 0.000 0.272 316 L C -0.075 176.975 176.870 0.299 0.000 0.980 316 L CA -1.085 53.924 54.840 0.282 0.000 0.826 316 L CB 1.280 43.480 42.059 0.234 0.000 1.268 316 L HN 0.418 nan 8.230 nan 0.000 0.407 317 R N 2.250 122.889 120.500 0.232 0.000 2.738 317 R HA 0.190 4.529 4.340 -0.001 0.000 0.268 317 R C 1.109 177.448 176.300 0.066 0.000 1.062 317 R CA 0.104 56.289 56.100 0.142 0.000 1.158 317 R CB 0.484 30.867 30.300 0.137 0.000 1.046 317 R HN 0.667 nan 8.270 nan 0.000 0.493 318 R N 1.200 121.647 120.500 -0.089 0.000 2.105 318 R HA -0.064 4.275 4.340 -0.001 0.000 0.239 318 R C 0.382 176.727 176.300 0.075 0.000 1.135 318 R CA 1.126 57.153 56.100 -0.122 0.000 0.967 318 R CB 0.164 30.363 30.300 -0.168 0.000 0.861 318 R HN 0.392 nan 8.270 nan 0.000 0.442 319 I N 3.064 123.666 120.570 0.054 0.000 2.311 319 I HA -0.005 4.164 4.170 -0.001 0.000 0.297 319 I C 0.159 176.332 176.117 0.094 0.000 1.131 319 I CA 0.430 61.767 61.300 0.062 0.000 1.289 319 I CB 0.836 38.860 38.000 0.041 0.000 1.446 319 I HN 0.298 nan 8.210 nan 0.000 0.524 320 Q N 3.732 123.589 119.800 0.095 0.000 2.185 320 Q HA -0.072 4.267 4.340 -0.001 0.000 0.179 320 Q C 1.041 177.110 176.000 0.115 0.000 0.810 320 Q CA 0.068 55.936 55.803 0.108 0.000 1.021 320 Q CB -0.131 28.632 28.738 0.042 0.000 1.244 320 Q HN 0.478 nan 8.270 nan 0.000 0.404 321 N N -0.418 118.352 118.700 0.117 0.000 2.368 321 N HA -0.051 4.688 4.740 -0.001 0.000 0.178 321 N C -0.746 174.865 175.510 0.168 0.000 1.021 321 N CA 0.683 53.799 53.050 0.110 0.000 0.875 321 N CB 0.423 38.968 38.487 0.096 0.000 1.020 321 N HN 0.307 nan 8.380 nan 0.000 0.433 322 Y N 0.874 121.195 120.300 0.035 0.000 2.331 322 Y HA 0.397 4.946 4.550 -0.001 0.000 0.334 322 Y C -0.635 175.298 175.900 0.055 0.000 0.960 322 Y CA -1.018 57.104 58.100 0.036 0.000 1.130 322 Y CB 1.058 39.532 38.460 0.023 0.000 1.164 322 Y HN -0.096 nan 8.280 nan 0.000 0.458 323 S N 4.958 120.554 115.700 -0.172 0.000 2.521 323 S HA 0.850 5.319 4.470 -0.001 0.000 0.295 323 S C -1.742 172.726 174.600 -0.220 0.000 1.098 323 S CA -0.697 57.446 58.200 -0.095 0.000 0.999 323 S CB 1.609 64.787 63.200 -0.036 0.000 1.034 323 S HN 0.423 nan 8.310 nan 0.000 0.483 324 V N 4.227 124.106 119.914 -0.059 0.000 2.540 324 V HA 0.540 4.659 4.120 -0.001 0.000 0.302 324 V C -0.259 175.865 176.094 0.050 0.000 1.035 324 V CA -0.688 61.589 62.300 -0.039 0.000 0.873 324 V CB 1.628 33.462 31.823 0.019 0.000 0.992 324 V HN 1.042 nan 8.190 nan 0.000 0.428 325 M N 4.079 123.678 119.600 -0.002 0.000 2.149 325 M HA 0.532 5.011 4.480 -0.001 0.000 0.342 325 M C -1.280 175.034 176.300 0.023 0.000 1.068 325 M CA -0.257 55.019 55.300 -0.040 0.000 0.991 325 M CB 1.123 33.634 32.600 -0.148 0.000 1.596 325 M HN 0.594 nan 8.290 nan 0.000 0.439 326 D N 4.973 125.385 120.400 0.021 0.000 2.198 326 D HA 0.573 5.213 4.640 -0.001 0.000 0.247 326 D C -1.064 175.220 176.300 -0.026 0.000 1.010 326 D CA -0.073 53.946 54.000 0.031 0.000 0.880 326 D CB 1.955 42.802 40.800 0.078 0.000 1.209 326 D HN 0.637 nan 8.370 nan 0.000 0.451 327 I N 2.011 122.588 120.570 0.012 0.000 2.439 327 I HA 0.258 4.428 4.170 -0.001 0.000 0.285 327 I C -0.636 175.494 176.117 0.021 0.000 1.021 327 I CA -0.604 60.695 61.300 -0.002 0.000 1.091 327 I CB 1.424 39.468 38.000 0.072 0.000 1.242 327 I HN 0.182 nan 8.210 nan 0.000 0.439 328 c N 3.633 122.241 118.600 0.014 0.000 2.382 328 c HA 0.584 5.153 4.570 -0.001 0.000 0.327 328 c C -0.135 174.116 174.090 0.268 0.000 1.250 328 c CA -0.738 55.672 56.329 0.135 0.000 1.707 328 c CB 0.821 43.425 42.510 0.156 0.000 2.272 328 c HN 0.617 nan 8.230 nan 0.000 0.506 329 D N -0.170 120.359 120.400 0.216 0.000 2.228 329 D HA 0.376 5.015 4.640 -0.001 0.000 0.247 329 D C -0.836 175.384 176.300 -0.133 0.000 0.995 329 D CA -0.249 53.819 54.000 0.113 0.000 0.903 329 D CB 0.756 41.563 40.800 0.012 0.000 1.205 329 D HN 0.611 nan 8.370 nan 0.000 0.459 330 Y N 1.489 121.386 120.300 -0.672 0.000 2.404 330 Y HA 0.197 4.746 4.550 -0.001 0.000 0.344 330 Y C -0.303 175.269 175.900 -0.546 0.000 0.995 330 Y CA -0.940 56.406 58.100 -1.256 0.000 1.201 330 Y CB 0.643 38.193 38.460 -1.517 0.000 1.151 330 Y HN 0.210 nan 8.280 nan 0.000 0.517 331 D N 5.674 125.516 120.400 -0.930 0.000 2.383 331 D HA -0.011 4.629 4.640 -0.001 0.000 0.245 331 D C 1.093 176.819 176.300 -0.958 0.000 1.263 331 D CA 0.289 53.869 54.000 -0.700 0.000 0.936 331 D CB 0.561 41.140 40.800 -0.369 0.000 1.053 331 D HN 0.868 nan 8.370 nan 0.000 0.507 332 E N 1.983 121.682 120.200 -0.834 0.000 2.132 332 E HA -0.237 4.112 4.350 -0.001 0.000 0.218 332 E C 0.587 177.015 176.600 -0.286 0.000 1.058 332 E CA 1.588 57.663 56.400 -0.542 0.000 0.882 332 E CB -0.090 29.469 29.700 -0.235 0.000 0.774 332 E HN 0.235 nan 8.360 nan 0.000 0.467 333 S N -1.121 114.457 115.700 -0.204 0.000 2.519 333 S HA 0.291 4.760 4.470 -0.001 0.000 0.245 333 S C -0.087 174.462 174.600 -0.086 0.000 1.152 333 S CA 0.237 58.377 58.200 -0.100 0.000 1.175 333 S CB 0.356 63.515 63.200 -0.068 0.000 0.829 333 S HN 0.173 nan 8.310 nan 0.000 0.472 334 S N -0.869 114.765 115.700 -0.110 0.000 2.475 334 S HA 0.285 4.754 4.470 -0.001 0.000 0.270 334 S C 1.454 176.054 174.600 -0.000 0.000 1.026 334 S CA 0.021 58.186 58.200 -0.059 0.000 1.437 334 S CB 0.536 63.682 63.200 -0.090 0.000 1.215 334 S HN 0.603 nan 8.310 nan 0.000 0.648 335 G N 2.577 111.389 108.800 0.019 0.000 2.530 335 G HA2 -0.411 3.548 3.960 -0.001 0.000 0.247 335 G HA3 -0.411 3.548 3.960 -0.001 0.000 0.247 335 G C 0.309 175.370 174.900 0.268 0.000 1.067 335 G CA 1.198 46.473 45.100 0.292 0.000 0.650 335 G HN 0.569 nan 8.290 nan 0.000 0.531 336 R N -0.732 119.823 120.500 0.093 0.000 2.783 336 R HA 0.567 4.907 4.340 -0.001 0.000 0.276 336 R C -0.354 175.937 176.300 -0.014 0.000 1.223 336 R CA -0.060 56.120 56.100 0.132 0.000 1.173 336 R CB 0.097 30.458 30.300 0.102 0.000 1.157 336 R HN 0.330 nan 8.270 nan 0.000 0.600 337 W N -0.827 120.516 121.300 0.072 0.000 2.666 337 W HA 0.443 5.103 4.660 -0.001 0.000 0.334 337 W C -0.775 175.745 176.519 0.001 0.000 1.051 337 W CA -0.516 56.856 57.345 0.044 0.000 1.224 337 W CB 1.427 30.895 29.460 0.014 0.000 1.405 337 W HN 0.452 nan 8.180 nan 0.000 0.513 338 N N 1.568 120.361 118.700 0.156 0.000 2.399 338 N HA 0.473 5.212 4.740 -0.001 0.000 0.280 338 N C -1.618 173.947 175.510 0.091 0.000 1.008 338 N CA -0.517 52.584 53.050 0.086 0.000 0.894 338 N CB 1.102 39.598 38.487 0.015 0.000 1.273 338 N HN 0.196 nan 8.380 nan 0.000 0.486 339 c N 3.166 121.807 118.600 0.069 0.000 2.223 339 c HA 0.383 4.953 4.570 -0.001 0.000 0.324 339 c C 0.464 174.568 174.090 0.023 0.000 1.196 339 c CA -1.108 55.250 56.329 0.048 0.000 1.628 339 c CB -1.289 41.241 42.510 0.033 0.000 2.229 339 c HN 0.578 nan 8.230 nan 0.000 0.486 340 L N 3.401 124.638 121.223 0.023 0.000 2.410 340 L HA 0.231 4.570 4.340 -0.001 0.000 0.273 340 L C 0.758 177.627 176.870 -0.002 0.000 1.152 340 L CA 0.197 55.041 54.840 0.008 0.000 0.855 340 L CB 0.440 42.507 42.059 0.012 0.000 1.129 340 L HN 0.530 nan 8.230 nan 0.000 0.463 341 V N 4.959 124.864 119.914 -0.015 0.000 3.376 341 V HA 0.287 4.406 4.120 -0.001 0.000 0.303 341 V C 1.183 177.258 176.094 -0.031 0.000 1.100 341 V CA 0.913 63.196 62.300 -0.028 0.000 1.126 341 V CB 1.152 32.957 31.823 -0.030 0.000 1.085 341 V HN 1.119 nan 8.190 nan 0.000 0.480 342 A N 3.196 125.983 122.820 -0.054 0.000 3.882 342 A HA -0.264 4.055 4.320 -0.001 0.000 0.242 342 A C 1.705 179.247 177.584 -0.070 0.000 0.824 342 A CA 1.644 53.645 52.037 -0.060 0.000 1.520 342 A CB -1.726 17.255 19.000 -0.031 0.000 0.993 342 A HN 0.985 nan 8.150 nan 0.000 0.728 343 R N 0.508 120.987 120.500 -0.035 0.000 2.432 343 R HA 0.189 4.528 4.340 -0.001 0.000 0.260 343 R C 0.483 176.807 176.300 0.041 0.000 0.935 343 R CA 0.736 56.857 56.100 0.034 0.000 1.080 343 R CB 0.084 30.430 30.300 0.076 0.000 1.155 343 R HN 0.841 nan 8.270 nan 0.000 0.531 344 Q N -0.356 119.389 119.800 -0.090 0.000 2.235 344 Q HA 0.299 4.638 4.340 -0.001 0.000 0.256 344 Q C -1.353 174.489 176.000 -0.263 0.000 0.951 344 Q CA -0.810 54.966 55.803 -0.045 0.000 0.890 344 Q CB 1.607 30.332 28.738 -0.022 0.000 1.279 344 Q HN 0.124 nan 8.270 nan 0.000 0.444 345 H N 1.110 120.178 119.070 -0.003 0.000 2.529 345 H HA 0.476 5.031 4.556 -0.001 0.000 0.348 345 H C -0.849 174.440 175.328 -0.065 0.000 1.079 345 H CA -0.648 55.404 56.048 0.006 0.000 1.198 345 H CB 1.374 31.163 29.762 0.045 0.000 1.521 345 H HN 0.564 nan 8.280 nan 0.000 0.514 346 I N 1.999 122.568 120.570 -0.001 0.000 2.365 346 I HA 0.183 4.352 4.170 -0.001 0.000 0.291 346 I C 0.184 176.234 176.117 -0.112 0.000 1.004 346 I CA -0.072 61.128 61.300 -0.166 0.000 1.311 346 I CB 0.975 38.844 38.000 -0.219 0.000 1.401 346 I HN 0.563 nan 8.210 nan 0.000 0.491 347 E N 8.434 128.527 120.200 -0.179 0.000 2.220 347 E HA 0.502 4.851 4.350 -0.001 0.000 0.256 347 E C -0.936 175.598 176.600 -0.109 0.000 0.881 347 E CA -0.616 55.737 56.400 -0.078 0.000 0.766 347 E CB 1.145 30.820 29.700 -0.041 0.000 1.187 347 E HN 0.616 nan 8.360 nan 0.000 0.419 348 M N 1.244 120.816 119.600 -0.047 0.000 2.777 348 M HA 0.709 5.189 4.480 -0.001 0.000 0.288 348 M C -0.728 175.584 176.300 0.020 0.000 1.181 348 M CA -1.007 54.297 55.300 0.006 0.000 0.758 348 M CB 2.113 34.766 32.600 0.089 0.000 1.757 348 M HN 0.228 nan 8.290 nan 0.000 0.453 349 S N -0.770 114.943 115.700 0.022 0.000 2.543 349 S HA 0.418 4.887 4.470 -0.001 0.000 0.273 349 S C -0.063 174.523 174.600 -0.024 0.000 1.152 349 S CA 0.042 58.232 58.200 -0.017 0.000 0.910 349 S CB 1.652 64.804 63.200 -0.080 0.000 1.105 349 S HN 0.974 nan 8.310 nan 0.000 0.465 350 T N 0.080 114.622 114.554 -0.021 0.000 3.037 350 T HA 0.068 4.417 4.350 -0.001 0.000 0.252 350 T C 1.712 176.384 174.700 -0.046 0.000 1.073 350 T CA 1.188 63.277 62.100 -0.020 0.000 1.091 350 T CB -0.455 68.411 68.868 -0.002 0.000 0.935 350 T HN 0.743 nan 8.240 nan 0.000 0.488 351 T N -1.411 113.105 114.554 -0.062 0.000 3.009 351 T HA 0.542 4.892 4.350 -0.001 0.000 0.258 351 T C 1.215 175.753 174.700 -0.270 0.000 1.063 351 T CA 0.573 62.635 62.100 -0.065 0.000 1.139 351 T CB -0.052 68.851 68.868 0.058 0.000 0.890 351 T HN 0.622 nan 8.240 nan 0.000 0.471 352 G N 0.089 108.534 108.800 -0.591 0.000 2.793 352 G HA2 0.494 4.453 3.960 -0.001 0.000 0.248 352 G HA3 0.494 4.453 3.960 -0.001 0.000 0.248 352 G C -1.568 172.954 174.900 -0.629 0.000 1.198 352 G CA -0.652 43.822 45.100 -1.044 0.000 0.865 352 G HN 0.529 nan 8.290 nan 0.000 0.534 353 W N -0.063 120.937 121.300 -0.500 0.000 2.260 353 W HA 0.723 5.382 4.660 -0.002 0.000 0.366 353 W C -0.389 176.062 176.519 -0.113 0.000 1.315 353 W CA -1.279 55.922 57.345 -0.239 0.000 1.458 353 W CB 0.521 29.821 29.460 -0.266 0.000 1.255 353 W HN 0.254 nan 8.180 nan 0.000 0.671 354 V N 3.127 123.119 119.914 0.130 0.000 2.432 354 V HA 0.685 4.804 4.120 -0.001 0.000 0.275 354 V C 0.773 176.967 176.094 0.166 0.000 1.043 354 V CA 0.292 62.633 62.300 0.069 0.000 0.925 354 V CB -0.011 31.843 31.823 0.052 0.000 0.985 354 V HN 1.297 nan 8.190 nan 0.000 0.466 355 G N 4.913 113.765 108.800 0.086 0.000 2.758 355 G HA2 -0.185 3.774 3.960 -0.001 0.000 0.686 355 G HA3 -0.185 3.774 3.960 -0.001 0.000 0.686 355 G C 0.296 175.314 174.900 0.196 0.000 1.389 355 G CA 0.091 45.261 45.100 0.116 0.000 0.845 355 G HN 0.673 nan 8.290 nan 0.000 0.572 356 R N -0.241 120.325 120.500 0.111 0.000 2.073 356 R HA 0.051 4.390 4.340 -0.001 0.000 0.234 356 R C 1.911 178.120 176.300 -0.152 0.000 1.134 356 R CA 2.357 58.455 56.100 -0.003 0.000 0.952 356 R CB -0.097 30.187 30.300 -0.026 0.000 0.850 356 R HN 0.514 nan 8.270 nan 0.000 0.433 357 F N -1.400 118.654 119.950 0.173 0.000 2.577 357 F HA 0.225 4.751 4.527 -0.001 0.000 0.282 357 F C 0.463 176.256 175.800 -0.011 0.000 0.957 357 F CA -0.403 57.637 58.000 0.067 0.000 1.168 357 F CB 0.551 39.593 39.000 0.071 0.000 0.958 357 F HN -0.162 nan 8.300 nan 0.000 0.702 358 R N 0.453 121.062 120.500 0.181 0.000 2.740 358 R HA 0.526 4.865 4.340 -0.001 0.000 0.273 358 R C -3.175 173.157 176.300 0.054 0.000 0.998 358 R CA -2.001 54.125 56.100 0.043 0.000 0.900 358 R CB 0.872 31.143 30.300 -0.048 0.000 1.223 358 R HN -0.301 nan 8.270 nan 0.000 0.466 359 P HA -0.078 nan 4.420 nan 0.000 0.264 359 P C -0.054 177.241 177.300 -0.009 0.000 1.183 359 P CA 0.212 63.313 63.100 0.001 0.000 0.763 359 P CB 0.570 32.247 31.700 -0.039 0.000 0.807 360 S N 1.870 117.577 115.700 0.012 0.000 2.553 360 S HA -0.014 4.455 4.470 -0.001 0.000 0.271 360 S C 0.383 174.963 174.600 -0.034 0.000 1.362 360 S CA -0.468 57.747 58.200 0.025 0.000 1.010 360 S CB 0.089 63.322 63.200 0.054 0.000 0.865 360 S HN 0.578 nan 8.310 nan 0.000 0.543 361 E N 1.045 121.242 120.200 -0.005 0.000 2.227 361 E HA 0.412 4.761 4.350 -0.001 0.000 0.282 361 E C -2.826 173.698 176.600 -0.128 0.000 1.015 361 E CA -2.679 53.665 56.400 -0.092 0.000 0.823 361 E CB 0.577 30.233 29.700 -0.073 0.000 1.081 361 E HN 0.451 nan 8.360 nan 0.000 0.396 362 P HA 0.212 nan 4.420 nan 0.000 0.278 362 P C -0.680 176.407 177.300 -0.355 0.000 1.238 362 P CA -0.274 62.585 63.100 -0.402 0.000 0.794 362 P CB 0.808 31.941 31.700 -0.946 0.000 0.955 363 H N 2.218 121.224 119.070 -0.106 0.000 2.762 363 H HA 0.292 4.847 4.556 -0.001 0.000 0.310 363 H C -0.304 175.108 175.328 0.141 0.000 1.004 363 H CA -0.332 55.762 56.048 0.076 0.000 1.267 363 H CB 0.331 30.185 29.762 0.153 0.000 1.437 363 H HN 0.322 nan 8.280 nan 0.000 0.498 364 F N 1.798 121.936 119.950 0.313 0.000 2.389 364 F HA 0.077 4.604 4.527 -0.001 0.000 0.337 364 F C 1.575 177.567 175.800 0.320 0.000 1.112 364 F CA -0.483 57.708 58.000 0.318 0.000 1.192 364 F CB 1.042 40.166 39.000 0.208 0.000 1.185 364 F HN 0.354 nan 8.300 nan 0.000 0.552 365 T N 0.698 115.569 114.554 0.528 0.000 2.868 365 T HA 0.132 4.482 4.350 -0.001 0.000 0.292 365 T C 1.148 176.037 174.700 0.314 0.000 1.028 365 T CA -0.813 61.528 62.100 0.402 0.000 1.059 365 T CB 0.922 70.017 68.868 0.379 0.000 0.991 365 T HN 0.656 nan 8.240 nan 0.000 0.531 366 L N 1.238 122.603 121.223 0.237 0.000 2.054 366 L HA -0.210 4.129 4.340 -0.001 0.000 0.220 366 L C 2.155 179.126 176.870 0.168 0.000 1.081 366 L CA 2.679 57.630 54.840 0.184 0.000 0.780 366 L CB -0.847 41.298 42.059 0.143 0.000 0.893 366 L HN 0.970 nan 8.230 nan 0.000 0.438 367 D N -1.241 119.258 120.400 0.166 0.000 2.363 367 D HA 0.031 4.670 4.640 -0.001 0.000 0.226 367 D C 1.641 178.026 176.300 0.142 0.000 1.020 367 D CA 0.740 54.822 54.000 0.138 0.000 0.892 367 D CB -0.564 40.308 40.800 0.121 0.000 0.900 367 D HN 0.527 nan 8.370 nan 0.000 0.531 368 G N 0.899 109.814 108.800 0.191 0.000 2.180 368 G HA2 -0.407 3.552 3.960 -0.001 0.000 0.263 368 G HA3 -0.407 3.552 3.960 -0.001 0.000 0.263 368 G C 0.674 175.707 174.900 0.220 0.000 0.989 368 G CA 0.588 45.786 45.100 0.164 0.000 0.692 368 G HN 0.527 nan 8.290 nan 0.000 0.526 369 N N 0.231 119.061 118.700 0.217 0.000 2.314 369 N HA 0.379 5.119 4.740 -0.001 0.000 0.200 369 N C 0.328 175.944 175.510 0.177 0.000 1.135 369 N CA 0.573 53.731 53.050 0.180 0.000 0.835 369 N CB 0.342 38.900 38.487 0.118 0.000 0.989 369 N HN 0.677 nan 8.380 nan 0.000 0.478 370 S N -0.344 115.518 115.700 0.270 0.000 2.597 370 S HA 0.564 5.033 4.470 -0.001 0.000 0.274 370 S C -1.359 173.332 174.600 0.152 0.000 1.132 370 S CA -1.222 56.997 58.200 0.032 0.000 0.835 370 S CB 0.828 63.911 63.200 -0.195 0.000 1.092 370 S HN 0.177 nan 8.310 nan 0.000 0.457 371 F N -1.368 118.429 119.950 -0.255 0.000 2.645 371 F HA 0.869 5.395 4.527 -0.001 0.000 0.310 371 F C -2.138 173.506 175.800 -0.260 0.000 1.102 371 F CA -1.466 56.340 58.000 -0.323 0.000 0.952 371 F CB 0.631 39.032 39.000 -0.998 0.000 1.326 371 F HN 0.606 nan 8.300 nan 0.000 0.456 372 Y N 1.407 121.828 120.300 0.201 0.000 2.377 372 Y HA 0.689 5.238 4.550 -0.001 0.000 0.339 372 Y C -0.442 175.600 175.900 0.236 0.000 1.011 372 Y CA -0.916 57.306 58.100 0.202 0.000 1.093 372 Y CB 2.027 40.575 38.460 0.147 0.000 1.201 372 Y HN 0.728 nan 8.280 nan 0.000 0.455 373 K N 1.051 121.661 120.400 0.350 0.000 2.551 373 K HA 0.636 4.955 4.320 -0.001 0.000 0.269 373 K C -1.810 174.911 176.600 0.202 0.000 0.949 373 K CA -0.719 55.714 56.287 0.243 0.000 0.849 373 K CB 1.532 34.094 32.500 0.104 0.000 1.411 373 K HN 0.570 nan 8.250 nan 0.000 0.432 374 I N 4.150 124.813 120.570 0.154 0.000 2.379 374 I HA 0.259 4.428 4.170 -0.001 0.000 0.290 374 I C 0.223 176.422 176.117 0.137 0.000 1.063 374 I CA -0.441 60.938 61.300 0.130 0.000 1.351 374 I CB -0.054 37.999 38.000 0.088 0.000 1.410 374 I HN 0.618 nan 8.210 nan 0.000 0.505 375 I N 1.885 122.580 120.570 0.208 0.000 3.206 375 I HA 0.548 4.717 4.170 -0.001 0.000 0.313 375 I C -0.132 176.115 176.117 0.217 0.000 1.103 375 I CA -0.806 60.617 61.300 0.204 0.000 0.985 375 I CB 2.081 40.230 38.000 0.247 0.000 1.240 375 I HN 0.272 nan 8.210 nan 0.000 0.464 376 S N 1.872 117.649 115.700 0.127 0.000 2.565 376 S HA 0.240 4.709 4.470 -0.001 0.000 0.276 376 S C 0.043 174.660 174.600 0.028 0.000 1.326 376 S CA -0.272 57.942 58.200 0.022 0.000 1.045 376 S CB -0.009 63.157 63.200 -0.055 0.000 0.918 376 S HN 0.654 nan 8.310 nan 0.000 0.505 377 N N 1.662 120.277 118.700 -0.141 0.000 2.326 377 N HA 0.073 4.812 4.740 -0.001 0.000 0.239 377 N C 0.860 176.264 175.510 -0.176 0.000 1.301 377 N CA -0.065 52.779 53.050 -0.344 0.000 0.909 377 N CB 0.562 38.901 38.487 -0.246 0.000 1.156 377 N HN 0.711 nan 8.380 nan 0.000 0.462 378 E N 0.182 120.259 120.200 -0.205 0.000 2.427 378 E HA -0.041 4.308 4.350 -0.001 0.000 0.196 378 E C 0.595 177.149 176.600 -0.076 0.000 1.028 378 E CA 1.029 57.374 56.400 -0.092 0.000 0.864 378 E CB 0.086 29.739 29.700 -0.079 0.000 0.813 378 E HN 0.599 nan 8.360 nan 0.000 0.514 379 E N -1.440 118.713 120.200 -0.078 0.000 2.481 379 E HA 0.123 4.472 4.350 -0.001 0.000 0.198 379 E C 0.434 177.090 176.600 0.093 0.000 1.027 379 E CA 0.418 56.826 56.400 0.012 0.000 0.900 379 E CB 0.366 30.056 29.700 -0.016 0.000 0.993 379 E HN 0.340 nan 8.360 nan 0.000 0.482 380 G N 0.919 109.710 108.800 -0.015 0.000 2.141 380 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.231 380 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.231 380 G C -0.492 174.218 174.900 -0.316 0.000 0.984 380 G CA 0.023 45.018 45.100 -0.176 0.000 0.660 380 G HN 0.159 nan 8.290 nan 0.000 0.525 381 Y N 0.581 120.746 120.300 -0.225 0.000 2.341 381 Y HA 0.634 5.183 4.550 -0.001 0.000 0.337 381 Y C 1.104 176.826 175.900 -0.296 0.000 1.014 381 Y CA -1.139 56.807 58.100 -0.256 0.000 1.111 381 Y CB 1.027 39.353 38.460 -0.224 0.000 1.194 381 Y HN 0.097 nan 8.280 nan 0.000 0.462 382 R N 3.985 124.339 120.500 -0.244 0.000 2.404 382 R HA 0.198 4.537 4.340 -0.001 0.000 0.315 382 R C -0.636 175.391 176.300 -0.453 0.000 1.032 382 R CA 0.198 56.164 56.100 -0.223 0.000 0.992 382 R CB -0.066 30.140 30.300 -0.158 0.000 0.959 382 R HN 0.656 nan 8.270 nan 0.000 0.428 383 H N 1.621 120.645 119.070 -0.076 0.000 2.949 383 H HA 0.338 4.893 4.556 -0.001 0.000 0.356 383 H C 0.012 175.409 175.328 0.115 0.000 1.212 383 H CA -0.990 54.991 56.048 -0.111 0.000 1.136 383 H CB 1.591 31.184 29.762 -0.281 0.000 1.869 383 H HN 0.312 nan 8.280 nan 0.000 0.556 384 I N 1.443 122.107 120.570 0.156 0.000 2.452 384 I HA 0.019 4.188 4.170 -0.001 0.000 0.287 384 I C 0.370 176.534 176.117 0.078 0.000 1.079 384 I CA 0.180 61.539 61.300 0.099 0.000 1.387 384 I CB 0.225 38.202 38.000 -0.039 0.000 1.404 384 I HN 0.120 nan 8.210 nan 0.000 0.522 385 c N 7.351 125.937 118.600 -0.023 0.000 2.382 385 c HA 0.387 4.956 4.570 -0.001 0.000 0.327 385 c C -0.263 173.721 174.090 -0.177 0.000 1.250 385 c CA -0.512 55.579 56.329 -0.397 0.000 1.707 385 c CB 0.879 42.909 42.510 -0.801 0.000 2.272 385 c HN 0.638 nan 8.230 nan 0.000 0.506 386 Y N 5.128 125.117 120.300 -0.520 0.000 2.367 386 Y HA 0.628 5.177 4.550 -0.001 0.000 0.342 386 Y C -0.983 174.470 175.900 -0.744 0.000 0.979 386 Y CA -0.691 57.054 58.100 -0.591 0.000 1.161 386 Y CB 0.065 38.250 38.460 -0.458 0.000 1.155 386 Y HN 0.600 nan 8.280 nan 0.000 0.503 387 F N 3.468 122.637 119.950 -1.302 0.000 2.492 387 F HA 0.473 4.999 4.527 -0.001 0.000 0.327 387 F C -0.193 174.847 175.800 -1.267 0.000 1.079 387 F CA -0.951 56.239 58.000 -1.351 0.000 0.967 387 F CB 1.634 39.413 39.000 -2.035 0.000 1.169 387 F HN 0.292 nan 8.300 nan 0.000 0.472 388 Q N 2.224 121.689 119.800 -0.558 0.000 2.307 388 Q HA 0.370 4.709 4.340 -0.001 0.000 0.262 388 Q C 1.113 177.093 176.000 -0.034 0.000 0.961 388 Q CA -0.258 55.356 55.803 -0.314 0.000 0.882 388 Q CB 1.322 29.934 28.738 -0.211 0.000 1.264 388 Q HN 0.685 nan 8.270 nan 0.000 0.446 389 I N -0.468 120.166 120.570 0.106 0.000 2.381 389 I HA -0.255 3.915 4.170 -0.001 0.000 0.255 389 I C 0.070 176.387 176.117 0.334 0.000 1.140 389 I CA 1.748 63.257 61.300 0.349 0.000 1.404 389 I CB -0.115 38.092 38.000 0.346 0.000 1.075 389 I HN 0.483 nan 8.210 nan 0.000 0.433 390 D N -0.245 120.255 120.400 0.166 0.000 2.501 390 D HA 0.250 4.889 4.640 -0.001 0.000 0.224 390 D C 0.021 176.347 176.300 0.044 0.000 1.202 390 D CA -0.334 53.719 54.000 0.088 0.000 0.829 390 D CB 0.174 41.005 40.800 0.052 0.000 1.023 390 D HN 0.202 nan 8.370 nan 0.000 0.499 391 K N 0.775 121.221 120.400 0.077 0.000 2.323 391 K HA 0.294 4.613 4.320 -0.001 0.000 0.259 391 K C 1.043 177.678 176.600 0.060 0.000 0.947 391 K CA -0.713 55.584 56.287 0.017 0.000 0.819 391 K CB 1.678 34.150 32.500 -0.046 0.000 1.109 391 K HN -0.039 nan 8.250 nan 0.000 0.429 392 K N 0.949 121.345 120.400 -0.007 0.000 2.026 392 K HA -0.041 4.278 4.320 -0.001 0.000 0.208 392 K C -0.066 176.553 176.600 0.031 0.000 1.048 392 K CA 1.115 57.401 56.287 -0.002 0.000 0.929 392 K CB 0.035 32.515 32.500 -0.033 0.000 0.713 392 K HN 0.381 nan 8.250 nan 0.000 0.439 393 D N 1.097 121.461 120.400 -0.059 0.000 2.210 393 D HA 0.150 4.789 4.640 -0.001 0.000 0.249 393 D C -0.089 176.005 176.300 -0.343 0.000 1.062 393 D CA -0.328 53.581 54.000 -0.151 0.000 0.891 393 D CB 1.554 42.283 40.800 -0.118 0.000 1.186 393 D HN 0.411 nan 8.370 nan 0.000 0.432 394 c N 0.119 118.353 118.600 -0.611 0.000 2.407 394 c HA 0.782 5.351 4.570 -0.001 0.000 0.366 394 c C 0.190 173.898 174.090 -0.637 0.000 1.213 394 c CA -0.569 55.171 56.329 -0.983 0.000 2.011 394 c CB 1.164 42.354 42.510 -2.201 0.000 2.306 394 c HN 0.457 nan 8.230 nan 0.000 0.527 395 T N 1.816 116.057 114.554 -0.521 0.000 2.791 395 T HA 0.450 4.799 4.350 -0.001 0.000 0.288 395 T C -0.712 173.827 174.700 -0.269 0.000 0.999 395 T CA 0.144 62.091 62.100 -0.254 0.000 0.952 395 T CB 0.171 69.034 68.868 -0.008 0.000 0.938 395 T HN 0.471 nan 8.240 nan 0.000 0.444 396 F N 4.020 123.896 119.950 -0.124 0.000 2.541 396 F HA 0.167 4.693 4.527 -0.001 0.000 0.378 396 F C 1.765 177.464 175.800 -0.169 0.000 1.068 396 F CA -0.692 57.223 58.000 -0.142 0.000 1.199 396 F CB 0.238 39.147 39.000 -0.152 0.000 1.091 396 F HN 0.578 nan 8.300 nan 0.000 0.555 397 I N -0.372 120.129 120.570 -0.115 0.000 3.427 397 I HA 0.139 4.308 4.170 -0.001 0.000 0.288 397 I C 0.503 176.491 176.117 -0.215 0.000 1.249 397 I CA 0.282 61.332 61.300 -0.417 0.000 1.421 397 I CB -0.155 37.294 38.000 -0.918 0.000 1.086 397 I HN 0.494 nan 8.210 nan 0.000 0.448 398 T N 0.497 114.969 114.554 -0.137 0.000 2.916 398 T HA 0.730 5.080 4.350 -0.001 0.000 0.292 398 T C -0.653 173.685 174.700 -0.603 0.000 1.064 398 T CA -0.698 61.282 62.100 -0.199 0.000 1.011 398 T CB 2.678 71.476 68.868 -0.117 0.000 1.152 398 T HN 0.525 nan 8.240 nan 0.000 0.510 399 K N -0.476 119.386 120.400 -0.896 0.000 2.642 399 K HA 0.751 5.071 4.320 -0.001 0.000 0.290 399 K C -0.485 175.511 176.600 -1.007 0.000 1.006 399 K CA -0.863 54.636 56.287 -1.312 0.000 0.869 399 K CB 1.206 33.336 32.500 -0.617 0.000 1.499 399 K HN 1.577 nan 8.250 nan 0.000 0.403 400 G N -0.019 108.229 108.800 -0.921 0.000 2.351 400 G HA2 0.121 4.080 3.960 -0.001 0.000 0.353 400 G HA3 0.121 4.080 3.960 -0.001 0.000 0.353 400 G C -0.881 173.593 174.900 -0.710 0.000 1.358 400 G CA -0.422 44.353 45.100 -0.541 0.000 0.995 400 G HN 1.007 nan 8.290 nan 0.000 0.611 401 T N -0.237 114.067 114.554 -0.417 0.000 3.855 401 T HA 0.570 4.919 4.350 -0.001 0.000 0.306 401 T C 0.127 174.854 174.700 0.045 0.000 1.575 401 T CA 0.336 62.074 62.100 -0.603 0.000 1.214 401 T CB -0.863 67.789 68.868 -0.359 0.000 1.262 401 T HN 1.450 nan 8.240 nan 0.000 0.883 402 W N -0.301 121.002 121.300 0.005 0.000 2.937 402 W HA 0.634 5.293 4.660 -0.002 0.000 0.360 402 W C -1.429 175.109 176.519 0.033 0.000 1.215 402 W CA -0.964 56.427 57.345 0.077 0.000 1.183 402 W CB 0.632 30.102 29.460 0.016 0.000 1.458 402 W HN 0.185 nan 8.180 nan 0.000 0.574 403 E N 0.620 120.926 120.200 0.178 0.000 2.336 403 E HA 0.474 4.823 4.350 -0.001 0.000 0.267 403 E C -1.209 175.409 176.600 0.028 0.000 0.906 403 E CA -1.224 55.058 56.400 -0.197 0.000 0.781 403 E CB 3.319 32.967 29.700 -0.087 0.000 1.261 403 E HN 0.159 nan 8.360 nan 0.000 0.436 404 V N 3.777 123.581 119.914 -0.184 0.000 2.408 404 V HA 0.017 4.136 4.120 -0.001 0.000 0.267 404 V C 1.313 177.455 176.094 0.079 0.000 1.047 404 V CA -0.088 62.221 62.300 0.014 0.000 0.937 404 V CB 0.411 32.141 31.823 -0.155 0.000 0.999 404 V HN 0.691 nan 8.190 nan 0.000 0.472 405 I N 3.495 124.156 120.570 0.152 0.000 2.162 405 I HA 0.121 4.290 4.170 -0.001 0.000 0.238 405 I C 1.188 177.403 176.117 0.163 0.000 1.076 405 I CA 1.520 62.913 61.300 0.155 0.000 1.353 405 I CB -0.734 37.313 38.000 0.078 0.000 1.063 405 I HN 0.734 nan 8.210 nan 0.000 0.408 406 G N 0.282 109.183 108.800 0.169 0.000 2.742 406 G HA2 0.534 4.493 3.960 -0.001 0.000 0.296 406 G HA3 0.534 4.493 3.960 -0.001 0.000 0.296 406 G C -1.059 173.937 174.900 0.159 0.000 1.436 406 G CA -0.552 44.648 45.100 0.167 0.000 0.928 406 G HN 0.019 nan 8.290 nan 0.000 0.520 407 I N 2.336 122.958 120.570 0.088 0.000 2.347 407 I HA 0.117 4.286 4.170 -0.001 0.000 0.294 407 I C 0.954 177.033 176.117 -0.063 0.000 1.090 407 I CA -0.406 60.844 61.300 -0.083 0.000 1.314 407 I CB 1.234 38.943 38.000 -0.486 0.000 1.423 407 I HN 0.516 nan 8.210 nan 0.000 0.503 408 E N 5.095 125.309 120.200 0.024 0.000 2.122 408 E HA 0.161 4.510 4.350 -0.001 0.000 0.190 408 E C 0.489 177.017 176.600 -0.121 0.000 0.977 408 E CA 0.448 56.884 56.400 0.059 0.000 0.820 408 E CB 0.341 30.154 29.700 0.189 0.000 0.770 408 E HN 0.696 nan 8.360 nan 0.000 0.462 409 A N 0.380 123.031 122.820 -0.282 0.000 2.606 409 A HA 0.600 4.919 4.320 -0.001 0.000 0.293 409 A C -1.829 175.669 177.584 -0.143 0.000 1.082 409 A CA -0.637 51.162 52.037 -0.398 0.000 0.685 409 A CB 1.476 19.716 19.000 -1.267 0.000 1.284 409 A HN 0.052 nan 8.150 nan 0.000 0.408 410 L N 1.151 122.332 121.223 -0.070 0.000 2.436 410 L HA 0.864 5.203 4.340 -0.001 0.000 0.268 410 L C 0.097 176.989 176.870 0.037 0.000 0.974 410 L CA 0.500 55.325 54.840 -0.024 0.000 0.826 410 L CB 2.148 44.209 42.059 0.002 0.000 1.291 410 L HN 1.246 nan 8.230 nan 0.000 0.406 411 T N -0.573 114.011 114.554 0.050 0.000 2.831 411 T HA 0.437 4.787 4.350 -0.001 0.000 0.287 411 T C 0.802 175.535 174.700 0.055 0.000 1.070 411 T CA 0.090 62.239 62.100 0.081 0.000 1.010 411 T CB 1.164 70.120 68.868 0.146 0.000 1.264 411 T HN 0.643 nan 8.240 nan 0.000 0.532 412 S N -0.902 114.835 115.700 0.062 0.000 2.522 412 S HA 0.007 4.476 4.470 -0.001 0.000 0.227 412 S C 0.895 175.486 174.600 -0.014 0.000 0.986 412 S CA 0.714 58.943 58.200 0.047 0.000 0.929 412 S CB -0.413 62.819 63.200 0.054 0.000 0.769 412 S HN 0.682 nan 8.310 nan 0.000 0.529 413 D N -0.202 120.180 120.400 -0.030 0.000 2.566 413 D HA 0.306 4.945 4.640 -0.001 0.000 0.253 413 D C -0.249 175.793 176.300 -0.431 0.000 0.992 413 D CA 0.694 54.584 54.000 -0.183 0.000 0.940 413 D CB 0.318 41.105 40.800 -0.021 0.000 1.095 413 D HN 0.406 nan 8.370 nan 0.000 0.480 414 Y N -0.614 119.601 120.300 -0.142 0.000 2.665 414 Y HA 0.498 5.047 4.550 -0.001 0.000 0.336 414 Y C -0.487 175.190 175.900 -0.372 0.000 1.085 414 Y CA -1.152 56.766 58.100 -0.303 0.000 1.096 414 Y CB 1.884 40.030 38.460 -0.524 0.000 1.301 414 Y HN -0.255 nan 8.280 nan 0.000 0.493 415 L N 2.170 123.235 121.223 -0.263 0.000 2.404 415 L HA 0.477 4.816 4.340 -0.001 0.000 0.272 415 L C -2.099 174.623 176.870 -0.247 0.000 0.980 415 L CA -0.744 53.933 54.840 -0.272 0.000 0.836 415 L CB 0.634 42.486 42.059 -0.345 0.000 1.238 415 L HN 0.652 nan 8.230 nan 0.000 0.408 416 Y N 5.947 126.175 120.300 -0.120 0.000 2.326 416 Y HA 0.516 5.065 4.550 -0.001 0.000 0.337 416 Y C -0.012 175.887 175.900 -0.000 0.000 1.023 416 Y CA -0.269 57.765 58.100 -0.109 0.000 1.143 416 Y CB 1.131 39.456 38.460 -0.224 0.000 1.183 416 Y HN 0.569 nan 8.280 nan 0.000 0.485 417 Y N 0.427 120.785 120.300 0.097 0.000 2.638 417 Y HA 0.841 5.390 4.550 -0.001 0.000 0.339 417 Y C -1.618 174.350 175.900 0.114 0.000 1.084 417 Y CA -2.097 56.045 58.100 0.071 0.000 1.068 417 Y CB 1.352 39.833 38.460 0.035 0.000 1.294 417 Y HN 0.384 nan 8.280 nan 0.000 0.480 418 I N 3.067 123.820 120.570 0.305 0.000 2.436 418 I HA 0.546 4.715 4.170 -0.001 0.000 0.289 418 I C -0.617 175.647 176.117 0.246 0.000 1.010 418 I CA -0.511 60.897 61.300 0.180 0.000 1.098 418 I CB 2.007 40.065 38.000 0.097 0.000 1.266 418 I HN 0.901 nan 8.210 nan 0.000 0.434 419 S N 3.785 119.587 115.700 0.169 0.000 2.697 419 S HA 0.489 4.958 4.470 -0.001 0.000 0.289 419 S C -0.595 174.024 174.600 0.032 0.000 1.149 419 S CA -0.837 57.456 58.200 0.155 0.000 0.850 419 S CB 1.905 65.274 63.200 0.281 0.000 1.151 419 S HN 0.635 nan 8.310 nan 0.000 0.491 420 N N -0.433 118.304 118.700 0.062 0.000 2.635 420 N HA 0.190 4.929 4.740 -0.001 0.000 0.307 420 N C 0.187 175.692 175.510 -0.007 0.000 1.433 420 N CA -0.504 52.546 53.050 0.001 0.000 0.973 420 N CB 0.517 38.989 38.487 -0.025 0.000 1.304 420 N HN 0.852 nan 8.380 nan 0.000 0.507 421 E N -0.194 119.887 120.200 -0.199 0.000 2.086 421 E HA -0.103 4.247 4.350 -0.001 0.000 0.190 421 E C -0.286 176.195 176.600 -0.199 0.000 0.975 421 E CA -0.142 55.955 56.400 -0.505 0.000 0.813 421 E CB -0.024 28.743 29.700 -1.554 0.000 0.768 421 E HN 0.333 nan 8.360 nan 0.000 0.457 422 Y N 1.992 122.202 120.300 -0.149 0.000 2.904 422 Y HA -0.146 4.403 4.550 -0.001 0.000 0.336 422 Y C 0.549 176.417 175.900 -0.053 0.000 1.263 422 Y CA 0.882 58.949 58.100 -0.056 0.000 1.547 422 Y CB 0.312 38.773 38.460 0.002 0.000 1.272 422 Y HN 0.099 nan 8.280 nan 0.000 0.596 423 K N 2.938 122.996 120.400 -0.570 0.000 3.086 423 K HA -0.237 4.083 4.320 -0.001 0.000 0.288 423 K C 0.784 177.301 176.600 -0.139 0.000 1.127 423 K CA 1.332 57.378 56.287 -0.401 0.000 0.854 423 K CB -1.667 30.604 32.500 -0.382 0.000 1.213 423 K HN 1.309 nan 8.250 nan 0.000 0.456 424 G N 0.276 109.014 108.800 -0.103 0.000 2.321 424 G HA2 -0.344 3.615 3.960 -0.001 0.000 0.287 424 G HA3 -0.344 3.615 3.960 -0.001 0.000 0.287 424 G C 0.005 174.894 174.900 -0.020 0.000 1.018 424 G CA 0.927 46.013 45.100 -0.025 0.000 0.855 424 G HN 0.502 nan 8.290 nan 0.000 0.507 425 M N -1.431 118.085 119.600 -0.139 0.000 2.078 425 M HA 0.473 4.953 4.480 -0.001 0.000 0.320 425 M C -1.572 174.460 176.300 -0.447 0.000 0.969 425 M CA -2.424 52.600 55.300 -0.460 0.000 0.929 425 M CB 2.136 34.460 32.600 -0.460 0.000 1.504 425 M HN -0.108 nan 8.290 nan 0.000 0.419 426 P HA -0.078 nan 4.420 nan 0.000 0.229 426 P C 0.942 178.077 177.300 -0.275 0.000 1.150 426 P CA 1.290 64.207 63.100 -0.304 0.000 0.765 426 P CB -0.020 31.530 31.700 -0.250 0.000 0.783 427 G N -0.745 107.833 108.800 -0.370 0.000 3.434 427 G HA2 0.352 4.312 3.960 -0.001 0.000 0.258 427 G HA3 0.352 4.312 3.960 -0.001 0.000 0.258 427 G C 0.592 175.481 174.900 -0.018 0.000 1.128 427 G CA 0.023 45.033 45.100 -0.150 0.000 0.792 427 G HN 0.421 nan 8.290 nan 0.000 0.539 428 G N -0.190 108.545 108.800 -0.108 0.000 2.537 428 G HA2 0.689 4.648 3.960 -0.001 0.000 0.323 428 G HA3 0.689 4.648 3.960 -0.001 0.000 0.323 428 G C -1.038 173.718 174.900 -0.240 0.000 1.207 428 G CA -0.787 44.271 45.100 -0.071 0.000 0.976 428 G HN 0.082 nan 8.290 nan 0.000 0.487 429 R N 0.748 121.077 120.500 -0.285 0.000 2.515 429 R HA 0.431 4.770 4.340 -0.001 0.000 0.278 429 R C -1.436 174.835 176.300 -0.048 0.000 1.107 429 R CA -0.816 55.095 56.100 -0.316 0.000 0.945 429 R CB 1.869 31.704 30.300 -0.775 0.000 1.219 429 R HN 0.615 nan 8.270 nan 0.000 0.434 430 N N 1.568 120.285 118.700 0.028 0.000 2.329 430 N HA 0.332 5.071 4.740 -0.001 0.000 0.282 430 N C -1.310 174.195 175.510 -0.008 0.000 1.198 430 N CA -0.809 52.237 53.050 -0.007 0.000 0.790 430 N CB 2.821 41.273 38.487 -0.058 0.000 1.579 430 N HN 0.249 nan 8.380 nan 0.000 0.475 431 L N 2.377 123.446 121.223 -0.257 0.000 2.305 431 L HA 0.469 4.808 4.340 -0.001 0.000 0.281 431 L C -1.356 175.290 176.870 -0.373 0.000 1.085 431 L CA 0.090 54.785 54.840 -0.241 0.000 0.813 431 L CB -0.143 41.699 42.059 -0.362 0.000 1.157 431 L HN 0.404 nan 8.230 nan 0.000 0.436 432 Y N 3.459 123.421 120.300 -0.564 0.000 2.602 432 Y HA 0.636 5.185 4.550 -0.001 0.000 0.342 432 Y C -0.461 175.096 175.900 -0.571 0.000 1.029 432 Y CA -0.966 56.729 58.100 -0.675 0.000 1.080 432 Y CB 1.714 39.500 38.460 -1.123 0.000 1.284 432 Y HN 0.569 nan 8.280 nan 0.000 0.485 433 K N 2.143 122.384 120.400 -0.265 0.000 2.482 433 K HA 0.730 5.049 4.320 -0.001 0.000 0.251 433 K C -2.045 174.510 176.600 -0.075 0.000 0.936 433 K CA -0.657 55.430 56.287 -0.334 0.000 0.791 433 K CB 2.496 34.607 32.500 -0.647 0.000 1.213 433 K HN 0.761 nan 8.250 nan 0.000 0.428 434 I N 2.061 122.671 120.570 0.066 0.000 2.474 434 I HA 0.208 4.377 4.170 -0.001 0.000 0.294 434 I C -0.751 175.492 176.117 0.210 0.000 1.005 434 I CA -0.818 60.596 61.300 0.190 0.000 1.113 434 I CB 2.105 40.222 38.000 0.194 0.000 1.289 434 I HN 0.828 nan 8.210 nan 0.000 0.436 435 Q N 5.081 124.982 119.800 0.169 0.000 2.293 435 Q HA 0.124 4.463 4.340 -0.001 0.000 0.263 435 Q C 0.294 176.245 176.000 -0.082 0.000 1.002 435 Q CA -0.553 55.139 55.803 -0.184 0.000 0.910 435 Q CB 1.203 29.882 28.738 -0.098 0.000 1.185 435 Q HN 0.695 nan 8.270 nan 0.000 0.401 436 L N 2.749 123.857 121.223 -0.193 0.000 2.275 436 L HA -0.123 4.216 4.340 -0.001 0.000 0.215 436 L C 1.822 178.665 176.870 -0.046 0.000 1.119 436 L CA 1.393 56.224 54.840 -0.016 0.000 0.790 436 L CB -0.530 41.480 42.059 -0.082 0.000 0.919 436 L HN 0.559 nan 8.230 nan 0.000 0.443 437 S N -1.591 114.021 115.700 -0.147 0.000 2.470 437 S HA 0.002 4.471 4.470 -0.001 0.000 0.225 437 S C 0.486 174.957 174.600 -0.216 0.000 1.006 437 S CA 0.329 58.423 58.200 -0.176 0.000 0.934 437 S CB 0.117 63.226 63.200 -0.151 0.000 0.778 437 S HN 0.422 nan 8.310 nan 0.000 0.517 438 D N -0.451 119.858 120.400 -0.152 0.000 2.365 438 D HA 0.230 4.869 4.640 -0.001 0.000 0.235 438 D C -0.175 176.152 176.300 0.046 0.000 1.368 438 D CA -0.567 53.354 54.000 -0.132 0.000 1.001 438 D CB 0.167 40.925 40.800 -0.070 0.000 1.364 438 D HN -0.142 nan 8.370 nan 0.000 0.577 439 Y N 1.651 121.931 120.300 -0.033 0.000 2.403 439 Y HA -0.076 4.474 4.550 -0.001 0.000 0.291 439 Y C 2.406 178.322 175.900 0.027 0.000 1.143 439 Y CA 0.869 58.967 58.100 -0.004 0.000 1.257 439 Y CB -0.939 37.515 38.460 -0.010 0.000 0.984 439 Y HN 0.383 nan 8.280 nan 0.000 0.550 440 T N -0.021 114.624 114.554 0.153 0.000 2.929 440 T HA -0.122 4.227 4.350 -0.001 0.000 0.271 440 T C 0.910 175.672 174.700 0.102 0.000 1.085 440 T CA 0.961 63.122 62.100 0.102 0.000 1.125 440 T CB -0.225 68.673 68.868 0.049 0.000 0.874 440 T HN 0.216 nan 8.240 nan 0.000 0.494 441 K N 2.103 122.568 120.400 0.109 0.000 2.222 441 K HA 0.358 4.677 4.320 -0.001 0.000 0.243 441 K C -0.750 175.935 176.600 0.143 0.000 1.160 441 K CA -0.215 56.137 56.287 0.109 0.000 1.090 441 K CB 0.842 33.400 32.500 0.096 0.000 1.694 441 K HN 0.071 nan 8.250 nan 0.000 0.361 442 V N 1.503 121.502 119.914 0.141 0.000 2.427 442 V HA 0.363 4.482 4.120 -0.001 0.000 0.286 442 V C -0.685 175.467 176.094 0.096 0.000 1.034 442 V CA 0.082 62.481 62.300 0.164 0.000 0.893 442 V CB 1.720 33.685 31.823 0.236 0.000 0.982 442 V HN 0.451 nan 8.190 nan 0.000 0.452 443 T N 6.502 121.070 114.554 0.023 0.000 2.840 443 T HA 0.284 4.633 4.350 -0.001 0.000 0.287 443 T C -0.592 173.939 174.700 -0.282 0.000 0.991 443 T CA -0.228 61.812 62.100 -0.099 0.000 0.964 443 T CB 0.903 69.699 68.868 -0.121 0.000 0.954 443 T HN 0.974 nan 8.240 nan 0.000 0.438 444 C N 5.066 124.088 119.300 -0.464 0.000 2.585 444 C HA 0.424 4.883 4.460 -0.001 0.000 0.406 444 C C 1.468 176.082 174.990 -0.627 0.000 1.312 444 C CA -0.372 58.069 59.018 -0.962 0.000 1.924 444 C CB -1.471 25.598 27.740 -1.118 0.000 2.578 444 C HN 0.957 nan 8.230 nan 0.000 0.580 445 L N 4.784 125.632 121.223 -0.625 0.000 2.693 445 L HA 0.152 4.491 4.340 -0.001 0.000 0.235 445 L C 1.866 178.425 176.870 -0.517 0.000 1.127 445 L CA 0.415 54.992 54.840 -0.439 0.000 0.914 445 L CB -0.117 41.739 42.059 -0.338 0.000 1.193 445 L HN 0.877 nan 8.230 nan 0.000 0.502 446 S N -3.119 112.166 115.700 -0.692 0.000 2.670 446 S HA -0.024 4.445 4.470 -0.001 0.000 0.241 446 S C 1.849 176.054 174.600 -0.657 0.000 1.077 446 S CA 0.135 57.801 58.200 -0.891 0.000 0.899 446 S CB -0.260 62.072 63.200 -1.447 0.000 0.835 446 S HN 0.280 nan 8.310 nan 0.000 0.481 447 C N 2.485 121.372 119.300 -0.689 0.000 2.304 447 C HA -0.152 4.307 4.460 -0.001 0.000 0.269 447 C C 2.635 177.347 174.990 -0.462 0.000 1.136 447 C CA 1.965 60.490 59.018 -0.822 0.000 1.796 447 C CB -1.259 25.702 27.740 -1.298 0.000 2.017 447 C HN 0.627 nan 8.230 nan 0.000 0.431 448 E N 0.085 120.081 120.200 -0.340 0.000 2.481 448 E HA 0.103 4.452 4.350 -0.001 0.000 0.195 448 E C 1.982 178.536 176.600 -0.077 0.000 1.047 448 E CA 0.025 56.339 56.400 -0.144 0.000 0.867 448 E CB -0.314 29.320 29.700 -0.111 0.000 0.858 448 E HN 0.573 nan 8.360 nan 0.000 0.513 449 L N 0.258 121.426 121.223 -0.092 0.000 2.089 449 L HA -0.177 4.163 4.340 -0.001 0.000 0.213 449 L C 0.935 177.824 176.870 0.031 0.000 1.079 449 L CA 1.113 55.945 54.840 -0.014 0.000 0.758 449 L CB -0.126 41.941 42.059 0.012 0.000 0.891 449 L HN 0.182 nan 8.230 nan 0.000 0.433 450 N N -1.858 116.877 118.700 0.059 0.000 3.091 450 N HA 0.045 4.785 4.740 -0.001 0.000 0.185 450 N C -1.941 173.604 175.510 0.059 0.000 1.398 450 N CA -0.705 52.374 53.050 0.048 0.000 0.938 450 N CB 0.433 38.945 38.487 0.040 0.000 1.605 450 N HN -0.187 nan 8.380 nan 0.000 0.597 451 P HA -0.221 nan 4.420 nan 0.000 0.218 451 P C 0.848 178.196 177.300 0.079 0.000 1.152 451 P CA 1.356 64.520 63.100 0.107 0.000 0.857 451 P CB 0.576 32.352 31.700 0.127 0.000 0.787 452 E N -0.330 119.897 120.200 0.045 0.000 2.047 452 E HA -0.162 4.187 4.350 -0.001 0.000 0.191 452 E C 2.312 178.913 176.600 0.002 0.000 0.987 452 E CA 1.033 57.447 56.400 0.023 0.000 0.799 452 E CB -0.415 29.291 29.700 0.010 0.000 0.752 452 E HN 0.350 nan 8.360 nan 0.000 0.449 453 R N -0.380 120.109 120.500 -0.017 0.000 2.223 453 R HA 0.071 4.410 4.340 -0.001 0.000 0.198 453 R C -0.076 176.168 176.300 -0.093 0.000 0.984 453 R CA 0.391 56.455 56.100 -0.061 0.000 1.018 453 R CB 0.481 30.736 30.300 -0.075 0.000 0.945 453 R HN 0.035 nan 8.270 nan 0.000 0.479 454 c N 0.975 119.531 118.600 -0.074 0.000 2.381 454 c HA 0.409 4.979 4.570 -0.001 0.000 0.328 454 c C -0.180 173.876 174.090 -0.057 0.000 1.190 454 c CA -0.757 55.457 56.329 -0.191 0.000 1.369 454 c CB 1.547 43.833 42.510 -0.374 0.000 2.029 454 c HN 0.497 nan 8.230 nan 0.000 0.448 455 Q N 0.475 120.244 119.800 -0.051 0.000 2.064 455 Q HA 0.185 4.524 4.340 -0.001 0.000 0.213 455 Q C -1.028 175.029 176.000 0.094 0.000 0.779 455 Q CA -0.079 55.780 55.803 0.093 0.000 1.032 455 Q CB 1.279 30.088 28.738 0.118 0.000 1.203 455 Q HN 0.783 nan 8.270 nan 0.000 0.457 456 Y N 0.646 120.845 120.300 -0.169 0.000 2.475 456 Y HA 0.360 4.909 4.550 -0.001 0.000 0.343 456 Y C -1.643 174.129 175.900 -0.213 0.000 1.068 456 Y CA -1.162 56.867 58.100 -0.119 0.000 1.307 456 Y CB 0.561 38.956 38.460 -0.109 0.000 1.097 456 Y HN -0.041 nan 8.280 nan 0.000 0.530 457 Y N 1.624 121.871 120.300 -0.088 0.000 2.496 457 Y HA 0.698 5.247 4.550 -0.001 0.000 0.331 457 Y C 0.358 176.220 175.900 -0.063 0.000 1.140 457 Y CA -0.622 57.441 58.100 -0.062 0.000 1.166 457 Y CB 2.104 40.492 38.460 -0.121 0.000 1.249 457 Y HN 0.429 nan 8.280 nan 0.000 0.479 458 S N 0.505 116.307 115.700 0.170 0.000 2.569 458 S HA 0.827 5.296 4.470 -0.001 0.000 0.280 458 S C -1.728 172.932 174.600 0.100 0.000 1.111 458 S CA -0.710 57.564 58.200 0.125 0.000 0.887 458 S CB 1.695 64.987 63.200 0.152 0.000 1.095 458 S HN 0.665 nan 8.310 nan 0.000 0.476 459 V N 0.808 120.773 119.914 0.084 0.000 3.102 459 V HA 0.916 5.036 4.120 -0.001 0.000 0.312 459 V C -1.063 175.088 176.094 0.096 0.000 1.135 459 V CA -0.293 62.014 62.300 0.010 0.000 1.022 459 V CB 2.348 34.073 31.823 -0.163 0.000 1.056 459 V HN 1.232 nan 8.190 nan 0.000 0.436 460 S N 3.845 119.577 115.700 0.053 0.000 2.721 460 S HA 0.612 5.081 4.470 -0.001 0.000 0.264 460 S C -1.232 173.502 174.600 0.222 0.000 1.161 460 S CA -0.432 57.916 58.200 0.248 0.000 1.113 460 S CB 0.216 63.617 63.200 0.334 0.000 1.079 460 S HN 0.484 nan 8.310 nan 0.000 0.479 461 F N 3.084 123.092 119.950 0.097 0.000 2.382 461 F HA 0.455 4.981 4.527 -0.001 0.000 0.331 461 F C 1.481 176.860 175.800 -0.703 0.000 1.121 461 F CA -0.331 57.552 58.000 -0.194 0.000 1.183 461 F CB 1.132 40.005 39.000 -0.212 0.000 1.207 461 F HN 0.605 nan 8.300 nan 0.000 0.555 462 S N 1.832 116.903 115.700 -1.049 0.000 2.617 462 S HA 0.169 4.638 4.470 -0.001 0.000 0.259 462 S C 1.214 175.586 174.600 -0.379 0.000 1.301 462 S CA -0.854 56.531 58.200 -1.358 0.000 0.984 462 S CB 0.764 63.190 63.200 -1.292 0.000 0.954 462 S HN 0.516 nan 8.310 nan 0.000 0.572 463 K N 0.935 121.245 120.400 -0.149 0.000 2.107 463 K HA -0.131 4.188 4.320 -0.001 0.000 0.211 463 K C 1.214 177.804 176.600 -0.016 0.000 1.049 463 K CA 1.675 57.962 56.287 0.001 0.000 0.927 463 K CB -0.476 32.070 32.500 0.076 0.000 0.714 463 K HN 0.682 nan 8.250 nan 0.000 0.452 464 E N -1.075 119.083 120.200 -0.069 0.000 2.501 464 E HA 0.220 4.569 4.350 -0.001 0.000 0.201 464 E C -0.082 176.476 176.600 -0.070 0.000 1.016 464 E CA 0.233 56.604 56.400 -0.047 0.000 0.920 464 E CB 0.546 30.219 29.700 -0.045 0.000 1.023 464 E HN 0.237 nan 8.360 nan 0.000 0.474 465 A N 1.569 124.336 122.820 -0.089 0.000 2.914 465 A HA -0.276 4.043 4.320 -0.001 0.000 0.280 465 A C 1.272 178.818 177.584 -0.063 0.000 1.447 465 A CA 1.511 53.542 52.037 -0.010 0.000 0.759 465 A CB -2.179 16.745 19.000 -0.126 0.000 1.034 465 A HN 0.238 nan 8.150 nan 0.000 0.529 466 K N -1.745 118.513 120.400 -0.236 0.000 2.308 466 K HA 0.342 4.661 4.320 -0.001 0.000 0.197 466 K C -0.033 176.150 176.600 -0.694 0.000 1.049 466 K CA 0.864 56.877 56.287 -0.456 0.000 0.991 466 K CB 0.234 32.362 32.500 -0.618 0.000 0.836 466 K HN 0.624 nan 8.250 nan 0.000 0.500 467 Y N -0.681 119.453 120.300 -0.277 0.000 2.581 467 Y HA 0.341 4.890 4.550 -0.001 0.000 0.345 467 Y C -1.110 174.583 175.900 -0.345 0.000 1.036 467 Y CA -1.285 56.624 58.100 -0.318 0.000 1.042 467 Y CB 1.793 40.086 38.460 -0.278 0.000 1.289 467 Y HN -0.004 nan 8.280 nan 0.000 0.471 468 Y N -0.869 119.372 120.300 -0.098 0.000 2.521 468 Y HA 0.516 5.065 4.550 -0.001 0.000 0.332 468 Y C -1.427 174.436 175.900 -0.061 0.000 1.121 468 Y CA -1.270 56.628 58.100 -0.337 0.000 1.037 468 Y CB 1.625 39.394 38.460 -1.151 0.000 1.330 468 Y HN 0.585 nan 8.280 nan 0.000 0.452 469 Q N 4.285 124.222 119.800 0.228 0.000 2.325 469 Q HA 0.521 4.860 4.340 -0.001 0.000 0.262 469 Q C -1.821 174.249 176.000 0.116 0.000 0.968 469 Q CA -0.721 55.183 55.803 0.169 0.000 0.877 469 Q CB 1.423 30.231 28.738 0.116 0.000 1.253 469 Q HN 0.963 nan 8.270 nan 0.000 0.448 470 L N 4.397 125.682 121.223 0.103 0.000 2.292 470 L HA 0.470 4.809 4.340 -0.001 0.000 0.284 470 L C -0.080 176.846 176.870 0.094 0.000 1.065 470 L CA -0.399 54.483 54.840 0.071 0.000 0.806 470 L CB 1.053 43.108 42.059 -0.006 0.000 1.175 470 L HN 0.587 nan 8.230 nan 0.000 0.431 471 R N 2.702 123.246 120.500 0.073 0.000 2.310 471 R HA 0.266 4.606 4.340 -0.001 0.000 0.316 471 R C -0.873 175.306 176.300 -0.202 0.000 1.004 471 R CA -0.499 55.506 56.100 -0.158 0.000 0.900 471 R CB 1.262 31.552 30.300 -0.016 0.000 1.152 471 R HN 0.574 nan 8.270 nan 0.000 0.513 472 c N 2.896 121.250 118.600 -0.409 0.000 2.394 472 c HA 0.326 4.895 4.570 -0.001 0.000 0.362 472 c C 1.301 175.152 174.090 -0.399 0.000 1.268 472 c CA -0.282 55.689 56.329 -0.596 0.000 1.828 472 c CB -0.198 41.943 42.510 -0.614 0.000 2.442 472 c HN 0.934 nan 8.230 nan 0.000 0.549 473 S N 3.826 119.378 115.700 -0.247 0.000 2.754 473 S HA 0.639 5.108 4.470 -0.001 0.000 0.247 473 S C 0.255 174.799 174.600 -0.092 0.000 1.031 473 S CA 0.174 58.293 58.200 -0.135 0.000 1.014 473 S CB -0.000 63.151 63.200 -0.081 0.000 0.918 473 S HN 1.964 nan 8.310 nan 0.000 0.519 474 G N 2.058 110.783 108.800 -0.124 0.000 2.352 474 G HA2 0.318 4.277 3.960 -0.001 0.000 0.302 474 G HA3 0.318 4.277 3.960 -0.001 0.000 0.302 474 G C -3.027 171.833 174.900 -0.068 0.000 1.370 474 G CA -0.502 44.564 45.100 -0.056 0.000 0.918 474 G HN -0.115 nan 8.290 nan 0.000 0.610 475 P HA 0.118 nan 4.420 nan 0.000 0.233 475 P C 1.295 178.593 177.300 -0.004 0.000 1.167 475 P CA 1.432 64.543 63.100 0.018 0.000 0.770 475 P CB 0.359 32.075 31.700 0.027 0.000 0.837 476 G N 0.324 109.058 108.800 -0.111 0.000 2.509 476 G HA2 0.410 4.370 3.960 -0.001 0.000 0.269 476 G HA3 0.410 4.370 3.960 -0.001 0.000 0.269 476 G C -0.278 174.338 174.900 -0.474 0.000 1.416 476 G CA -0.757 44.199 45.100 -0.240 0.000 1.052 476 G HN 0.022 nan 8.290 nan 0.000 0.542 477 L N 1.235 122.123 121.223 -0.558 0.000 2.456 477 L HA 0.161 4.500 4.340 -0.001 0.000 0.272 477 L C -1.901 174.777 176.870 -0.319 0.000 1.189 477 L CA -1.246 53.222 54.840 -0.620 0.000 0.846 477 L CB 0.751 42.558 42.059 -0.421 0.000 1.111 477 L HN 0.226 nan 8.230 nan 0.000 0.475 478 P HA -0.023 nan 4.420 nan 0.000 0.261 478 P C -0.886 176.327 177.300 -0.145 0.000 1.173 478 P CA 0.126 63.138 63.100 -0.147 0.000 0.760 478 P CB 0.455 32.181 31.700 0.043 0.000 0.783 479 L N 5.858 126.900 121.223 -0.302 0.000 2.406 479 L HA 0.463 4.802 4.340 -0.001 0.000 0.272 479 L C -1.624 175.051 176.870 -0.325 0.000 0.980 479 L CA -0.749 53.977 54.840 -0.190 0.000 0.831 479 L CB 0.826 42.805 42.059 -0.132 0.000 1.253 479 L HN 0.243 nan 8.230 nan 0.000 0.406 480 Y N 2.844 123.119 120.300 -0.042 0.000 2.328 480 Y HA 0.728 5.278 4.550 -0.001 0.000 0.337 480 Y C 0.551 176.365 175.900 -0.143 0.000 0.966 480 Y CA -0.543 57.513 58.100 -0.074 0.000 1.136 480 Y CB 2.002 40.400 38.460 -0.103 0.000 1.170 480 Y HN 0.662 nan 8.280 nan 0.000 0.470 481 T N 1.137 115.721 114.554 0.049 0.000 2.883 481 T HA 0.730 5.079 4.350 -0.001 0.000 0.296 481 T C -1.334 173.397 174.700 0.051 0.000 1.117 481 T CA -0.944 61.156 62.100 0.000 0.000 1.006 481 T CB 1.719 70.641 68.868 0.090 0.000 1.191 481 T HN 0.558 nan 8.240 nan 0.000 0.508 482 L N 1.597 122.767 121.223 -0.088 0.000 2.346 482 L HA 0.677 5.016 4.340 -0.001 0.000 0.276 482 L C -1.036 175.743 176.870 -0.151 0.000 1.006 482 L CA -0.792 54.041 54.840 -0.012 0.000 0.817 482 L CB 1.617 43.622 42.059 -0.089 0.000 1.272 482 L HN 0.884 nan 8.230 nan 0.000 0.421 483 H N 0.273 119.129 119.070 -0.357 0.000 2.949 483 H HA 0.552 5.107 4.556 -0.001 0.000 0.356 483 H C -0.736 174.299 175.328 -0.489 0.000 1.212 483 H CA -0.903 54.840 56.048 -0.510 0.000 1.136 483 H CB 1.955 31.202 29.762 -0.859 0.000 1.869 483 H HN 0.421 nan 8.280 nan 0.000 0.556 484 S N -0.570 114.998 115.700 -0.220 0.000 2.502 484 S HA 0.310 4.779 4.470 -0.001 0.000 0.304 484 S C 0.269 174.747 174.600 -0.203 0.000 1.097 484 S CA -0.636 57.443 58.200 -0.201 0.000 1.045 484 S CB 1.640 64.782 63.200 -0.096 0.000 1.019 484 S HN 0.536 nan 8.310 nan 0.000 0.481 485 S N 2.192 117.801 115.700 -0.151 0.000 2.419 485 S HA -0.124 4.345 4.470 -0.001 0.000 0.233 485 S C 1.837 176.455 174.600 0.030 0.000 1.016 485 S CA 1.010 59.251 58.200 0.069 0.000 0.974 485 S CB -0.498 62.769 63.200 0.112 0.000 0.786 485 S HN 0.766 nan 8.310 nan 0.000 0.492 486 V N 2.036 121.918 119.914 -0.054 0.000 2.392 486 V HA -0.145 3.975 4.120 -0.001 0.000 0.249 486 V C 1.330 177.418 176.094 -0.010 0.000 1.059 486 V CA 1.980 64.264 62.300 -0.026 0.000 1.051 486 V CB -0.342 31.448 31.823 -0.056 0.000 0.658 486 V HN 0.570 nan 8.190 nan 0.000 0.455 487 N N -2.007 116.681 118.700 -0.021 0.000 2.129 487 N HA 0.081 4.820 4.740 -0.001 0.000 0.222 487 N C -0.517 174.988 175.510 -0.008 0.000 1.303 487 N CA 0.551 53.593 53.050 -0.015 0.000 0.897 487 N CB 0.740 39.217 38.487 -0.016 0.000 1.093 487 N HN 0.363 nan 8.380 nan 0.000 0.501 488 D N 1.358 121.763 120.400 0.008 0.000 2.907 488 D HA -0.136 4.503 4.640 -0.001 0.000 0.226 488 D C -0.491 175.829 176.300 0.033 0.000 1.141 488 D CA 1.086 55.120 54.000 0.055 0.000 0.779 488 D CB -1.161 39.675 40.800 0.060 0.000 1.095 488 D HN 0.387 nan 8.370 nan 0.000 0.430 489 K N 0.291 120.680 120.400 -0.019 0.000 2.237 489 K HA 0.451 4.770 4.320 -0.001 0.000 0.270 489 K C 1.088 177.621 176.600 -0.112 0.000 1.015 489 K CA -0.038 56.222 56.287 -0.044 0.000 0.949 489 K CB 0.949 33.420 32.500 -0.048 0.000 0.976 489 K HN 0.111 nan 8.250 nan 0.000 0.472 490 G N 2.347 111.040 108.800 -0.178 0.000 2.333 490 G HA2 0.220 4.179 3.960 -0.001 0.000 0.290 490 G HA3 0.220 4.179 3.960 -0.001 0.000 0.290 490 G C 0.701 175.420 174.900 -0.301 0.000 1.150 490 G CA -0.459 44.380 45.100 -0.435 0.000 0.895 490 G HN 0.545 nan 8.290 nan 0.000 0.444 491 L N 1.684 122.707 121.223 -0.334 0.000 2.168 491 L HA 0.317 4.656 4.340 -0.001 0.000 0.203 491 L C 1.490 178.257 176.870 -0.172 0.000 1.078 491 L CA 0.730 55.458 54.840 -0.187 0.000 0.780 491 L CB -0.164 41.808 42.059 -0.144 0.000 0.939 491 L HN 0.761 nan 8.230 nan 0.000 0.451 492 R N -2.270 118.095 120.500 -0.224 0.000 3.033 492 R HA 0.312 4.651 4.340 -0.001 0.000 0.284 492 R C -1.611 174.572 176.300 -0.195 0.000 0.997 492 R CA -0.924 55.072 56.100 -0.174 0.000 0.851 492 R CB 0.891 31.118 30.300 -0.122 0.000 1.297 492 R HN -0.289 nan 8.270 nan 0.000 0.518 493 V N 2.937 122.759 119.914 -0.153 0.000 2.461 493 V HA 0.163 4.283 4.120 -0.001 0.000 0.275 493 V C 1.393 177.360 176.094 -0.213 0.000 1.047 493 V CA -0.374 61.838 62.300 -0.147 0.000 0.955 493 V CB 1.037 32.806 31.823 -0.089 0.000 0.988 493 V HN 0.636 nan 8.190 nan 0.000 0.471 494 L N 2.555 123.580 121.223 -0.329 0.000 2.249 494 L HA 0.277 4.616 4.340 -0.001 0.000 0.207 494 L C 0.744 177.382 176.870 -0.387 0.000 1.090 494 L CA 0.736 55.172 54.840 -0.674 0.000 0.802 494 L CB 0.157 41.409 42.059 -1.344 0.000 0.947 494 L HN 0.739 nan 8.230 nan 0.000 0.453 495 E N -0.199 119.933 120.200 -0.112 0.000 2.481 495 E HA 0.075 4.425 4.350 -0.001 0.000 0.301 495 E C -1.304 175.370 176.600 0.123 0.000 0.948 495 E CA -0.303 56.134 56.400 0.061 0.000 0.804 495 E CB 1.014 30.791 29.700 0.128 0.000 1.265 495 E HN 0.133 nan 8.360 nan 0.000 0.406 496 D N 3.211 123.653 120.400 0.069 0.000 2.469 496 D HA 0.142 4.781 4.640 -0.001 0.000 0.215 496 D C -0.298 176.020 176.300 0.030 0.000 1.154 496 D CA -0.268 53.755 54.000 0.038 0.000 0.832 496 D CB -0.076 40.725 40.800 0.002 0.000 1.008 496 D HN 0.468 nan 8.370 nan 0.000 0.506 497 N N 0.784 119.522 118.700 0.065 0.000 2.708 497 N HA -0.237 4.502 4.740 -0.001 0.000 0.249 497 N C 1.121 176.645 175.510 0.022 0.000 1.097 497 N CA 0.972 54.053 53.050 0.052 0.000 0.710 497 N CB -1.351 37.159 38.487 0.039 0.000 1.032 497 N HN 0.509 nan 8.380 nan 0.000 0.551 498 S N -0.730 114.983 115.700 0.021 0.000 2.374 498 S HA -0.156 4.314 4.470 -0.001 0.000 0.227 498 S C 2.127 176.742 174.600 0.025 0.000 1.037 498 S CA 1.259 59.467 58.200 0.012 0.000 1.024 498 S CB -0.356 62.853 63.200 0.014 0.000 0.861 498 S HN 0.533 nan 8.310 nan 0.000 0.456 499 A N 2.113 124.959 122.820 0.042 0.000 1.883 499 A HA -0.014 4.306 4.320 -0.001 0.000 0.217 499 A C 2.281 179.908 177.584 0.071 0.000 1.186 499 A CA 1.787 53.858 52.037 0.057 0.000 0.624 499 A CB -0.976 18.063 19.000 0.066 0.000 0.822 499 A HN 0.574 nan 8.150 nan 0.000 0.444 500 L N 0.265 121.533 121.223 0.075 0.000 2.083 500 L HA -0.139 4.200 4.340 -0.001 0.000 0.209 500 L C 1.869 178.766 176.870 0.046 0.000 1.083 500 L CA 2.842 57.739 54.840 0.094 0.000 0.752 500 L CB -0.737 41.385 42.059 0.104 0.000 0.899 500 L HN 0.497 nan 8.230 nan 0.000 0.433 501 D N -0.810 119.595 120.400 0.008 0.000 2.097 501 D HA -0.211 4.428 4.640 -0.001 0.000 0.195 501 D C 2.018 178.315 176.300 -0.004 0.000 0.989 501 D CA 1.147 55.133 54.000 -0.023 0.000 0.827 501 D CB 0.080 40.856 40.800 -0.038 0.000 0.966 501 D HN 0.088 nan 8.370 nan 0.000 0.456 502 K N -0.109 120.301 120.400 0.017 0.000 2.074 502 K HA -0.152 4.167 4.320 -0.001 0.000 0.209 502 K C 2.238 178.861 176.600 0.038 0.000 1.048 502 K CA 0.930 57.233 56.287 0.027 0.000 0.926 502 K CB -0.546 31.977 32.500 0.038 0.000 0.713 502 K HN 0.370 nan 8.250 nan 0.000 0.444 503 M N 0.180 119.817 119.600 0.061 0.000 2.077 503 M HA -0.108 4.371 4.480 -0.001 0.000 0.261 503 M C 2.024 178.323 176.300 -0.002 0.000 1.070 503 M CA 1.328 56.684 55.300 0.094 0.000 1.125 503 M CB -0.187 32.538 32.600 0.207 0.000 1.339 503 M HN 0.010 nan 8.290 nan 0.000 0.409 504 L N 0.477 121.648 121.223 -0.087 0.000 2.447 504 L HA -0.229 4.111 4.340 -0.001 0.000 0.225 504 L C 2.464 179.283 176.870 -0.085 0.000 1.148 504 L CA 0.967 55.704 54.840 -0.172 0.000 0.808 504 L CB -0.714 41.266 42.059 -0.132 0.000 0.928 504 L HN 0.534 nan 8.230 nan 0.000 0.448 505 Q N -1.332 118.448 119.800 -0.034 0.000 2.432 505 Q HA -0.069 4.270 4.340 -0.001 0.000 0.205 505 Q C 0.847 176.852 176.000 0.007 0.000 0.945 505 Q CA 0.589 56.385 55.803 -0.012 0.000 0.924 505 Q CB -0.085 28.653 28.738 -0.000 0.000 1.016 505 Q HN 0.437 nan 8.270 nan 0.000 0.503 506 N N 1.112 119.822 118.700 0.016 0.000 2.322 506 N HA 0.113 4.852 4.740 -0.001 0.000 0.216 506 N C -0.869 174.671 175.510 0.049 0.000 1.144 506 N CA 0.173 53.249 53.050 0.045 0.000 0.830 506 N CB 1.499 40.029 38.487 0.072 0.000 1.034 506 N HN 0.128 nan 8.380 nan 0.000 0.484 507 V N 0.534 120.457 119.914 0.015 0.000 2.932 507 V HA 0.183 4.302 4.120 -0.001 0.000 0.307 507 V C -1.170 174.925 176.094 0.001 0.000 1.147 507 V CA -0.819 61.496 62.300 0.025 0.000 0.951 507 V CB 2.285 34.115 31.823 0.011 0.000 1.031 507 V HN 0.019 nan 8.190 nan 0.000 0.426 508 Q N 6.530 126.335 119.800 0.010 0.000 2.489 508 Q HA 0.294 4.633 4.340 -0.001 0.000 0.231 508 Q C -0.266 175.702 176.000 -0.053 0.000 1.273 508 Q CA -0.092 55.677 55.803 -0.056 0.000 0.898 508 Q CB 0.357 29.042 28.738 -0.088 0.000 1.545 508 Q HN 0.585 nan 8.270 nan 0.000 0.538 509 M N 3.578 123.140 119.600 -0.062 0.000 2.241 509 M HA 0.325 4.804 4.480 -0.001 0.000 0.335 509 M C -1.978 174.271 176.300 -0.084 0.000 1.122 509 M CA -2.480 52.781 55.300 -0.065 0.000 1.164 509 M CB -0.219 32.344 32.600 -0.062 0.000 1.459 509 M HN 0.291 nan 8.290 nan 0.000 0.461 510 P HA 0.246 nan 4.420 nan 0.000 0.279 510 P C -0.973 176.266 177.300 -0.102 0.000 1.252 510 P CA -0.392 62.644 63.100 -0.106 0.000 0.811 510 P CB 0.709 32.337 31.700 -0.121 0.000 1.035 511 S N 0.301 115.929 115.700 -0.120 0.000 2.578 511 S HA 0.560 5.029 4.470 -0.001 0.000 0.301 511 S C -0.446 174.075 174.600 -0.132 0.000 1.091 511 S CA -0.849 57.288 58.200 -0.105 0.000 1.032 511 S CB 1.828 64.967 63.200 -0.102 0.000 1.064 511 S HN 0.486 nan 8.310 nan 0.000 0.508 512 K N 0.887 121.233 120.400 -0.089 0.000 2.323 512 K HA 0.387 4.706 4.320 -0.001 0.000 0.259 512 K C -1.193 175.363 176.600 -0.073 0.000 0.947 512 K CA -0.531 55.706 56.287 -0.083 0.000 0.819 512 K CB 1.175 33.650 32.500 -0.042 0.000 1.109 512 K HN 0.743 nan 8.250 nan 0.000 0.429 513 K N 5.920 126.267 120.400 -0.088 0.000 2.307 513 K HA 0.304 4.624 4.320 -0.001 0.000 0.263 513 K C -1.363 175.204 176.600 -0.054 0.000 0.973 513 K CA -0.645 55.598 56.287 -0.073 0.000 0.846 513 K CB 0.997 33.431 32.500 -0.111 0.000 1.100 513 K HN 0.574 nan 8.250 nan 0.000 0.438 514 L N 4.422 125.632 121.223 -0.022 0.000 2.305 514 L HA 0.449 4.788 4.340 -0.001 0.000 0.284 514 L C -1.195 175.691 176.870 0.027 0.000 1.013 514 L CA -0.172 54.685 54.840 0.028 0.000 0.819 514 L CB 1.272 43.405 42.059 0.123 0.000 1.227 514 L HN 0.870 nan 8.230 nan 0.000 0.417 515 D N 2.967 123.237 120.400 -0.217 0.000 2.713 515 D HA 0.433 5.072 4.640 -0.001 0.000 0.306 515 D C -1.428 174.519 176.300 -0.588 0.000 1.299 515 D CA -0.168 53.619 54.000 -0.355 0.000 0.823 515 D CB 1.717 42.254 40.800 -0.439 0.000 1.353 515 D HN 0.192 nan 8.370 nan 0.000 0.447 516 F N -0.083 119.501 119.950 -0.611 0.000 2.631 516 F HA 0.811 5.337 4.527 -0.001 0.000 0.328 516 F C -0.472 175.394 175.800 0.110 0.000 1.067 516 F CA -1.008 56.754 58.000 -0.397 0.000 0.969 516 F CB 0.792 39.103 39.000 -1.148 0.000 1.332 516 F HN 0.388 nan 8.300 nan 0.000 0.490 517 I N -0.830 119.976 120.570 0.394 0.000 3.239 517 I HA 0.723 4.892 4.170 -0.001 0.000 0.314 517 I C -1.578 174.766 176.117 0.378 0.000 1.126 517 I CA -1.394 60.075 61.300 0.280 0.000 0.973 517 I CB 2.655 40.805 38.000 0.250 0.000 1.252 517 I HN 0.634 nan 8.210 nan 0.000 0.463 518 I N 3.322 124.048 120.570 0.260 0.000 2.411 518 I HA 0.371 4.540 4.170 -0.001 0.000 0.284 518 I C -0.867 175.386 176.117 0.227 0.000 1.012 518 I CA -0.376 61.080 61.300 0.259 0.000 1.119 518 I CB 1.718 39.832 38.000 0.190 0.000 1.261 518 I HN 0.351 nan 8.210 nan 0.000 0.448 519 L N 7.040 128.467 121.223 0.341 0.000 2.264 519 L HA 0.341 4.680 4.340 -0.001 0.000 0.289 519 L C 0.014 177.012 176.870 0.213 0.000 1.044 519 L CA -0.914 54.084 54.840 0.263 0.000 0.807 519 L CB 0.899 43.146 42.059 0.313 0.000 1.192 519 L HN 0.742 nan 8.230 nan 0.000 0.425 520 N N 4.409 123.179 118.700 0.117 0.000 2.903 520 N HA -0.295 4.444 4.740 -0.001 0.000 0.308 520 N C 0.267 175.824 175.510 0.079 0.000 1.106 520 N CA 0.951 54.048 53.050 0.079 0.000 0.793 520 N CB -0.483 38.034 38.487 0.051 0.000 0.996 520 N HN 0.811 nan 8.380 nan 0.000 0.601 521 E N -2.894 117.346 120.200 0.066 0.000 4.256 521 E HA -0.190 4.159 4.350 -0.001 0.000 0.163 521 E C -0.168 176.447 176.600 0.025 0.000 1.088 521 E CA 2.123 58.547 56.400 0.041 0.000 2.592 521 E CB -1.833 27.882 29.700 0.025 0.000 1.651 521 E HN 0.741 nan 8.360 nan 0.000 0.548 522 T N 3.853 118.418 114.554 0.020 0.000 2.898 522 T HA 0.341 4.690 4.350 -0.001 0.000 0.301 522 T C 0.518 175.136 174.700 -0.136 0.000 1.049 522 T CA 0.153 62.186 62.100 -0.112 0.000 1.095 522 T CB 0.885 69.621 68.868 -0.220 0.000 0.976 522 T HN 0.187 nan 8.240 nan 0.000 0.539 523 K N 1.910 122.136 120.400 -0.289 0.000 2.244 523 K HA 0.547 4.866 4.320 -0.001 0.000 0.260 523 K C -1.546 174.836 176.600 -0.364 0.000 0.951 523 K CA -0.664 55.517 56.287 -0.176 0.000 0.826 523 K CB 1.119 33.436 32.500 -0.306 0.000 1.108 523 K HN 0.365 nan 8.250 nan 0.000 0.433 524 F N 1.587 121.645 119.950 0.180 0.000 2.495 524 F HA 0.391 4.918 4.527 -0.001 0.000 0.327 524 F C -0.578 175.365 175.800 0.238 0.000 1.103 524 F CA -0.733 57.376 58.000 0.183 0.000 0.949 524 F CB 1.127 40.212 39.000 0.142 0.000 1.142 524 F HN 0.518 nan 8.300 nan 0.000 0.457 525 W N 3.123 124.600 121.300 0.295 0.000 2.303 525 W HA 0.505 5.165 4.660 -0.001 0.000 0.334 525 W C -0.549 176.201 176.519 0.385 0.000 1.197 525 W CA -0.548 56.987 57.345 0.317 0.000 1.262 525 W CB 0.453 30.013 29.460 0.168 0.000 1.153 525 W HN 0.452 nan 8.180 nan 0.000 0.596 526 Y N -0.680 119.979 120.300 0.599 0.000 2.655 526 Y HA 0.688 5.237 4.550 -0.001 0.000 0.336 526 Y C -1.125 175.018 175.900 0.404 0.000 1.154 526 Y CA -1.946 56.502 58.100 0.580 0.000 1.055 526 Y CB 1.239 40.199 38.460 0.833 0.000 1.295 526 Y HN 0.550 nan 8.280 nan 0.000 0.465 527 Q N 1.786 121.860 119.800 0.457 0.000 2.340 527 Q HA 0.713 5.052 4.340 -0.001 0.000 0.276 527 Q C -2.051 174.082 176.000 0.222 0.000 1.048 527 Q CA -1.072 54.858 55.803 0.212 0.000 0.832 527 Q CB 3.092 31.920 28.738 0.149 0.000 1.373 527 Q HN 0.867 nan 8.270 nan 0.000 0.409 528 M N 2.736 122.390 119.600 0.089 0.000 2.326 528 M HA 0.460 4.940 4.480 -0.001 0.000 0.306 528 M C -1.115 175.124 176.300 -0.102 0.000 1.054 528 M CA -0.941 54.344 55.300 -0.024 0.000 0.922 528 M CB 2.174 34.711 32.600 -0.106 0.000 1.632 528 M HN 0.600 nan 8.290 nan 0.000 0.436 529 I N 5.087 125.597 120.570 -0.099 0.000 2.291 529 I HA 0.306 4.475 4.170 -0.001 0.000 0.292 529 I C -0.322 175.669 176.117 -0.208 0.000 1.064 529 I CA -0.188 61.033 61.300 -0.132 0.000 1.269 529 I CB -0.037 37.908 38.000 -0.093 0.000 1.418 529 I HN 0.637 nan 8.210 nan 0.000 0.485 530 L N 8.417 129.462 121.223 -0.296 0.000 2.350 530 L HA 0.411 4.751 4.340 -0.001 0.000 0.275 530 L C -2.145 174.576 176.870 -0.249 0.000 1.099 530 L CA -1.720 52.861 54.840 -0.432 0.000 0.808 530 L CB 0.740 42.370 42.059 -0.715 0.000 1.149 530 L HN 0.254 nan 8.230 nan 0.000 0.442 531 P HA 0.145 nan 4.420 nan 0.000 0.272 531 P C -2.514 174.781 177.300 -0.009 0.000 1.230 531 P CA -1.103 61.977 63.100 -0.033 0.000 0.788 531 P CB 0.025 31.791 31.700 0.109 0.000 0.949 532 P HA 0.033 nan 4.420 nan 0.000 0.268 532 P C -0.561 176.677 177.300 -0.103 0.000 1.205 532 P CA 0.465 63.446 63.100 -0.198 0.000 0.771 532 P CB -0.266 31.232 31.700 -0.336 0.000 0.858 533 H N -1.342 117.778 119.070 0.082 0.000 2.839 533 H HA -0.220 4.335 4.556 -0.002 0.000 0.298 533 H C 0.062 175.458 175.328 0.114 0.000 1.224 533 H CA -0.527 55.568 56.048 0.078 0.000 1.144 533 H CB -2.083 27.716 29.762 0.061 0.000 1.372 533 H HN 0.354 nan 8.280 nan 0.000 0.408 534 F N 2.482 122.456 119.950 0.041 0.000 2.629 534 F HA 0.122 4.648 4.527 -0.001 0.000 0.377 534 F C 0.546 176.351 175.800 0.008 0.000 1.101 534 F CA 0.153 58.120 58.000 -0.054 0.000 1.301 534 F CB 0.550 39.395 39.000 -0.258 0.000 1.062 534 F HN 0.261 nan 8.300 nan 0.000 0.583 535 D N 5.166 125.114 120.400 -0.752 0.000 2.469 535 D HA 0.167 4.806 4.640 -0.001 0.000 0.251 535 D C 0.318 176.138 176.300 -0.801 0.000 1.173 535 D CA -0.657 52.996 54.000 -0.577 0.000 0.882 535 D CB 1.023 41.721 40.800 -0.171 0.000 1.129 535 D HN 0.620 nan 8.370 nan 0.000 0.549 536 K N 1.476 121.383 120.400 -0.822 0.000 2.520 536 K HA -0.121 4.198 4.320 -0.001 0.000 0.197 536 K C 1.304 177.876 176.600 -0.047 0.000 1.043 536 K CA 0.844 56.896 56.287 -0.391 0.000 0.944 536 K CB 0.090 32.514 32.500 -0.126 0.000 0.770 536 K HN 0.166 nan 8.250 nan 0.000 0.480 537 S N 0.529 116.173 115.700 -0.092 0.000 2.388 537 S HA -0.005 4.464 4.470 -0.001 0.000 0.223 537 S C 0.729 175.329 174.600 -0.000 0.000 1.034 537 S CA 0.082 58.267 58.200 -0.024 0.000 0.963 537 S CB 0.044 63.215 63.200 -0.049 0.000 0.827 537 S HN 0.346 nan 8.310 nan 0.000 0.481 538 K N 1.285 121.674 120.400 -0.018 0.000 2.276 538 K HA 0.143 4.463 4.320 -0.001 0.000 0.259 538 K C -0.702 175.928 176.600 0.048 0.000 1.001 538 K CA 0.197 56.447 56.287 -0.062 0.000 0.927 538 K CB 0.396 32.771 32.500 -0.208 0.000 0.969 538 K HN 0.101 nan 8.250 nan 0.000 0.490 539 K N 3.150 123.509 120.400 -0.067 0.000 2.404 539 K HA 0.180 4.499 4.320 -0.001 0.000 0.257 539 K C -1.316 175.261 176.600 -0.038 0.000 1.026 539 K CA -0.510 55.803 56.287 0.043 0.000 0.951 539 K CB 0.755 33.246 32.500 -0.016 0.000 1.203 539 K HN 0.349 nan 8.250 nan 0.000 0.446 540 Y N 3.027 123.365 120.300 0.063 0.000 2.307 540 Y HA 0.213 4.762 4.550 -0.001 0.000 0.324 540 Y C -1.804 174.036 175.900 -0.100 0.000 1.238 540 Y CA -2.481 55.630 58.100 0.018 0.000 1.280 540 Y CB 0.097 38.636 38.460 0.132 0.000 1.248 540 Y HN 0.460 nan 8.280 nan 0.000 0.508 541 P HA 0.265 nan 4.420 nan 0.000 0.277 541 P C -1.169 175.977 177.300 -0.256 0.000 1.240 541 P CA -0.336 62.483 63.100 -0.469 0.000 0.798 541 P CB 1.763 32.869 31.700 -0.990 0.000 0.979 542 L N 2.471 123.568 121.223 -0.209 0.000 2.386 542 L HA 0.539 4.878 4.340 -0.001 0.000 0.271 542 L C -1.269 175.786 176.870 0.308 0.000 0.993 542 L CA -1.095 53.786 54.840 0.069 0.000 0.819 542 L CB 1.745 43.842 42.059 0.063 0.000 1.294 542 L HN 0.265 nan 8.230 nan 0.000 0.414 543 L N 5.346 126.771 121.223 0.337 0.000 2.313 543 L HA 0.441 4.781 4.340 -0.001 0.000 0.283 543 L C -1.213 175.896 176.870 0.398 0.000 1.013 543 L CA -0.878 54.217 54.840 0.424 0.000 0.816 543 L CB 1.817 44.085 42.059 0.347 0.000 1.236 543 L HN 0.603 nan 8.230 nan 0.000 0.419 544 L N 5.153 126.660 121.223 0.472 0.000 2.259 544 L HA 0.326 4.665 4.340 -0.001 0.000 0.288 544 L C -0.202 176.903 176.870 0.391 0.000 1.051 544 L CA 0.014 55.121 54.840 0.446 0.000 0.824 544 L CB 0.747 43.122 42.059 0.527 0.000 1.206 544 L HN 0.456 nan 8.230 nan 0.000 0.429 545 D N 4.073 124.675 120.400 0.337 0.000 2.325 545 D HA 0.182 4.821 4.640 -0.001 0.000 0.251 545 D C -0.945 175.430 176.300 0.126 0.000 1.196 545 D CA 0.262 54.370 54.000 0.180 0.000 0.866 545 D CB 1.236 42.187 40.800 0.251 0.000 1.101 545 D HN 0.340 nan 8.370 nan 0.000 0.476 546 V N 5.559 125.477 119.914 0.007 0.000 2.735 546 V HA 0.402 4.521 4.120 -0.001 0.000 0.310 546 V C -0.984 175.196 176.094 0.142 0.000 1.061 546 V CA -0.438 61.930 62.300 0.114 0.000 0.913 546 V CB 1.868 33.762 31.823 0.118 0.000 1.005 546 V HN 0.645 nan 8.190 nan 0.000 0.428 547 Y N 4.978 125.344 120.300 0.111 0.000 3.116 547 Y HA 0.529 5.078 4.550 -0.001 0.000 0.220 547 Y C 1.596 177.636 175.900 0.233 0.000 0.965 547 Y CA 1.267 59.461 58.100 0.157 0.000 1.476 547 Y CB 0.139 38.669 38.460 0.116 0.000 1.493 547 Y HN 1.078 nan 8.280 nan 0.000 0.423 548 A N 1.090 124.045 122.820 0.224 0.000 2.790 548 A HA -0.185 4.134 4.320 -0.001 0.000 0.277 548 A C 1.011 178.501 177.584 -0.158 0.000 1.435 548 A CA 1.040 53.148 52.037 0.118 0.000 0.877 548 A CB -2.378 16.730 19.000 0.181 0.000 1.007 548 A HN 0.907 nan 8.150 nan 0.000 0.613 549 G N -0.418 108.107 108.800 -0.458 0.000 2.606 549 G HA2 0.475 4.434 3.960 -0.001 0.000 0.252 549 G HA3 0.475 4.434 3.960 -0.001 0.000 0.252 549 G C -1.782 172.852 174.900 -0.444 0.000 1.206 549 G CA -0.558 43.914 45.100 -1.046 0.000 0.861 549 G HN 0.435 nan 8.290 nan 0.000 0.561 550 P HA 0.040 nan 4.420 nan 0.000 0.267 550 P C 0.566 177.721 177.300 -0.243 0.000 1.209 550 P CA 0.237 63.083 63.100 -0.424 0.000 0.763 550 P CB 0.779 31.894 31.700 -0.975 0.000 0.816 551 C N 2.485 121.708 119.300 -0.128 0.000 4.507 551 C HA -0.131 4.329 4.460 -0.001 0.000 0.285 551 C C 0.865 175.857 174.990 0.004 0.000 1.335 551 C CA 1.047 59.947 59.018 -0.196 0.000 1.953 551 C CB -2.639 24.826 27.740 -0.457 0.000 1.262 551 C HN 0.802 nan 8.230 nan 0.000 0.776 552 S N -0.095 115.683 115.700 0.130 0.000 2.713 552 S HA 0.692 5.162 4.470 -0.001 0.000 0.283 552 S C -0.634 174.134 174.600 0.280 0.000 1.161 552 S CA -0.193 58.176 58.200 0.281 0.000 0.999 552 S CB 1.795 65.234 63.200 0.399 0.000 1.039 552 S HN 0.766 nan 8.310 nan 0.000 0.548 553 Q N -0.041 119.932 119.800 0.288 0.000 2.709 553 Q HA 0.279 4.618 4.340 -0.001 0.000 0.232 553 Q C -0.653 175.455 176.000 0.180 0.000 0.856 553 Q CA -0.491 55.465 55.803 0.255 0.000 0.788 553 Q CB 0.847 29.773 28.738 0.314 0.000 1.386 553 Q HN 0.663 nan 8.270 nan 0.000 0.453 554 K N 0.315 120.826 120.400 0.185 0.000 2.393 554 K HA 0.263 4.582 4.320 -0.001 0.000 0.193 554 K C 0.006 176.704 176.600 0.164 0.000 1.026 554 K CA 0.282 56.669 56.287 0.166 0.000 1.064 554 K CB 1.085 33.709 32.500 0.207 0.000 0.833 554 K HN 0.445 nan 8.250 nan 0.000 0.521 555 A N 2.757 125.684 122.820 0.179 0.000 2.322 555 A HA 0.401 4.720 4.320 -0.001 0.000 0.327 555 A C -0.759 176.894 177.584 0.114 0.000 1.394 555 A CA -0.606 51.542 52.037 0.184 0.000 0.921 555 A CB 0.094 19.263 19.000 0.281 0.000 1.153 555 A HN 0.246 nan 8.150 nan 0.000 0.523 556 D N -0.120 120.325 120.400 0.075 0.000 2.798 556 D HA 0.486 5.125 4.640 -0.001 0.000 0.308 556 D C 0.385 176.706 176.300 0.034 0.000 1.187 556 D CA 0.250 54.283 54.000 0.055 0.000 1.033 556 D CB 0.470 41.301 40.800 0.051 0.000 1.445 556 D HN 0.161 nan 8.370 nan 0.000 0.550 557 T N -2.275 112.316 114.554 0.061 0.000 3.214 557 T HA 0.353 4.702 4.350 -0.001 0.000 0.264 557 T C 0.174 174.851 174.700 -0.039 0.000 1.012 557 T CA -0.427 61.700 62.100 0.045 0.000 0.901 557 T CB -0.732 68.200 68.868 0.106 0.000 1.070 557 T HN 0.260 nan 8.240 nan 0.000 0.561 558 V N 2.415 122.212 119.914 -0.195 0.000 2.649 558 V HA 0.392 4.511 4.120 -0.001 0.000 0.292 558 V C 0.067 176.120 176.094 -0.069 0.000 1.055 558 V CA -1.070 61.072 62.300 -0.263 0.000 1.023 558 V CB 0.339 31.879 31.823 -0.472 0.000 0.992 558 V HN 0.566 nan 8.190 nan 0.000 0.480 559 F N 5.997 125.852 119.950 -0.159 0.000 2.420 559 F HA 0.593 5.119 4.527 -0.001 0.000 0.352 559 F C 0.444 176.190 175.800 -0.090 0.000 1.108 559 F CA -0.219 57.715 58.000 -0.110 0.000 1.162 559 F CB 0.322 39.265 39.000 -0.096 0.000 1.118 559 F HN 0.432 nan 8.300 nan 0.000 0.510 560 R N 5.848 125.899 120.500 -0.747 0.000 2.673 560 R HA 0.515 4.854 4.340 -0.001 0.000 0.281 560 R C -1.910 173.973 176.300 -0.695 0.000 0.991 560 R CA -1.193 54.572 56.100 -0.557 0.000 0.896 560 R CB 1.879 32.027 30.300 -0.255 0.000 1.201 560 R HN 0.464 nan 8.270 nan 0.000 0.457 561 L N 4.184 125.151 121.223 -0.427 0.000 2.435 561 L HA 0.304 4.643 4.340 -0.001 0.000 0.253 561 L C -0.692 176.159 176.870 -0.031 0.000 1.087 561 L CA -0.467 54.179 54.840 -0.323 0.000 0.950 561 L CB 0.003 41.985 42.059 -0.128 0.000 1.304 561 L HN 0.695 nan 8.230 nan 0.000 0.453 562 N N -0.860 117.760 118.700 -0.133 0.000 3.294 562 N HA 0.196 4.935 4.740 -0.001 0.000 0.355 562 N C 0.646 175.861 175.510 -0.492 0.000 1.497 562 N CA -0.789 52.104 53.050 -0.262 0.000 0.707 562 N CB -0.100 38.340 38.487 -0.079 0.000 1.732 562 N HN 0.143 nan 8.380 nan 0.000 0.640 563 W N 0.395 121.125 121.300 -0.949 0.000 2.342 563 W HA 0.061 4.720 4.660 -0.001 0.000 0.297 563 W C 2.051 178.527 176.519 -0.072 0.000 1.213 563 W CA 2.685 59.707 57.345 -0.538 0.000 1.251 563 W CB -0.988 28.279 29.460 -0.321 0.000 1.136 563 W HN 0.682 nan 8.180 nan 0.000 0.526 564 A N -0.598 122.218 122.820 -0.007 0.000 1.902 564 A HA -0.210 4.110 4.320 -0.001 0.000 0.217 564 A C 1.974 179.479 177.584 -0.130 0.000 1.181 564 A CA 2.539 54.520 52.037 -0.093 0.000 0.623 564 A CB -1.331 17.681 19.000 0.019 0.000 0.818 564 A HN 0.280 nan 8.150 nan 0.000 0.443 565 T N -1.037 113.451 114.554 -0.109 0.000 2.635 565 T HA -0.252 4.097 4.350 -0.001 0.000 0.267 565 T C 1.814 176.554 174.700 0.067 0.000 1.040 565 T CA 1.952 63.971 62.100 -0.135 0.000 1.156 565 T CB -0.544 68.083 68.868 -0.402 0.000 0.863 565 T HN 0.664 nan 8.240 nan 0.000 0.430 566 Y N 2.100 122.485 120.300 0.142 0.000 2.114 566 Y HA -0.048 4.501 4.550 -0.001 0.000 0.284 566 Y C 2.043 177.923 175.900 -0.032 0.000 1.143 566 Y CA 0.948 59.142 58.100 0.156 0.000 1.135 566 Y CB -0.858 37.675 38.460 0.121 0.000 0.980 566 Y HN 0.124 nan 8.280 nan 0.000 0.499 567 L N 0.080 120.859 121.223 -0.740 0.000 2.129 567 L HA -0.278 4.061 4.340 -0.001 0.000 0.212 567 L C 2.664 179.286 176.870 -0.414 0.000 1.087 567 L CA 1.412 55.769 54.840 -0.805 0.000 0.757 567 L CB -0.921 40.718 42.059 -0.700 0.000 0.896 567 L HN 0.476 nan 8.230 nan 0.000 0.434 568 A N -1.484 121.183 122.820 -0.254 0.000 1.887 568 A HA -0.117 4.202 4.320 -0.001 0.000 0.210 568 A C 2.460 179.994 177.584 -0.082 0.000 1.221 568 A CA 1.184 53.139 52.037 -0.136 0.000 0.635 568 A CB -0.487 18.437 19.000 -0.126 0.000 0.881 568 A HN 0.275 nan 8.150 nan 0.000 0.456 569 S N -0.743 114.927 115.700 -0.050 0.000 2.368 569 S HA -0.137 4.332 4.470 -0.001 0.000 0.225 569 S C 1.897 176.520 174.600 0.038 0.000 1.030 569 S CA 2.468 60.681 58.200 0.022 0.000 0.999 569 S CB -0.344 62.934 63.200 0.131 0.000 0.844 569 S HN 0.572 nan 8.310 nan 0.000 0.459 570 T N 0.838 115.398 114.554 0.011 0.000 3.042 570 T HA 0.206 4.555 4.350 -0.001 0.000 0.245 570 T C 1.357 176.033 174.700 -0.040 0.000 1.029 570 T CA 0.359 62.481 62.100 0.037 0.000 1.120 570 T CB -0.023 68.961 68.868 0.194 0.000 0.917 570 T HN 0.298 nan 8.240 nan 0.000 0.467 571 E N 1.442 121.528 120.200 -0.190 0.000 2.474 571 E HA 0.150 4.499 4.350 -0.001 0.000 0.194 571 E C -0.123 176.457 176.600 -0.033 0.000 1.041 571 E CA -0.051 56.270 56.400 -0.131 0.000 0.874 571 E CB -0.345 29.197 29.700 -0.263 0.000 0.914 571 E HN 0.541 nan 8.360 nan 0.000 0.498 572 N N 0.789 119.487 118.700 -0.004 0.000 2.714 572 N HA -0.190 4.549 4.740 -0.001 0.000 0.253 572 N C -0.958 174.649 175.510 0.162 0.000 1.024 572 N CA 0.341 53.462 53.050 0.119 0.000 0.726 572 N CB -1.283 37.296 38.487 0.153 0.000 0.908 572 N HN 0.213 nan 8.380 nan 0.000 0.542 573 I N 0.526 121.131 120.570 0.059 0.000 2.509 573 I HA 0.409 4.578 4.170 -0.001 0.000 0.293 573 I C 0.394 176.525 176.117 0.023 0.000 1.020 573 I CA -0.977 60.367 61.300 0.074 0.000 1.088 573 I CB 1.647 39.690 38.000 0.072 0.000 1.267 573 I HN 0.023 nan 8.210 nan 0.000 0.430 574 I N 6.059 126.651 120.570 0.037 0.000 2.416 574 I HA 0.165 4.334 4.170 -0.001 0.000 0.288 574 I C -0.321 175.801 176.117 0.010 0.000 1.051 574 I CA -0.495 60.779 61.300 -0.043 0.000 1.375 574 I CB 1.044 39.012 38.000 -0.053 0.000 1.407 574 I HN 0.215 nan 8.210 nan 0.000 0.516 575 V N 6.962 126.870 119.914 -0.010 0.000 2.294 575 V HA 0.511 4.630 4.120 -0.001 0.000 0.272 575 V C 0.569 176.713 176.094 0.083 0.000 1.027 575 V CA -0.449 61.893 62.300 0.071 0.000 0.823 575 V CB 0.771 32.631 31.823 0.060 0.000 1.030 575 V HN 0.856 nan 8.190 nan 0.000 0.457 576 A N 3.845 126.740 122.820 0.125 0.000 2.248 576 A HA 0.938 5.257 4.320 -0.001 0.000 0.316 576 A C 0.096 177.861 177.584 0.302 0.000 1.101 576 A CA -0.494 51.631 52.037 0.147 0.000 0.875 576 A CB 1.387 20.369 19.000 -0.031 0.000 1.207 576 A HN 0.668 nan 8.150 nan 0.000 0.504 577 S N -0.913 115.027 115.700 0.400 0.000 2.562 577 S HA 0.555 5.024 4.470 -0.001 0.000 0.274 577 S C -1.726 173.235 174.600 0.601 0.000 1.160 577 S CA -0.325 58.133 58.200 0.429 0.000 0.933 577 S CB 1.016 64.397 63.200 0.302 0.000 1.100 577 S HN 0.754 nan 8.310 nan 0.000 0.468 578 F N 2.621 122.808 119.950 0.395 0.000 2.529 578 F HA 0.516 5.043 4.527 -0.001 0.000 0.320 578 F C -1.148 174.844 175.800 0.320 0.000 1.118 578 F CA -0.780 57.461 58.000 0.402 0.000 0.915 578 F CB 1.336 40.511 39.000 0.292 0.000 1.161 578 F HN 0.395 nan 8.300 nan 0.000 0.445 579 D N 4.931 125.124 120.400 -0.345 0.000 2.473 579 D HA 0.330 4.969 4.640 -0.001 0.000 0.226 579 D C 0.336 176.366 176.300 -0.451 0.000 1.089 579 D CA 0.122 54.001 54.000 -0.202 0.000 0.883 579 D CB 1.510 42.348 40.800 0.064 0.000 1.029 579 D HN 0.781 nan 8.370 nan 0.000 0.517 580 G N 1.454 110.038 108.800 -0.360 0.000 2.849 580 G HA2 0.266 4.225 3.960 -0.001 0.000 0.174 580 G HA3 0.266 4.225 3.960 -0.001 0.000 0.174 580 G C 0.175 175.081 174.900 0.009 0.000 1.370 580 G CA -0.542 44.354 45.100 -0.340 0.000 1.040 580 G HN 0.234 nan 8.290 nan 0.000 0.582 581 R N -0.687 119.789 120.500 -0.041 0.000 2.638 581 R HA 0.393 4.733 4.340 -0.001 0.000 0.268 581 R C 1.298 177.685 176.300 0.146 0.000 1.006 581 R CA 1.888 58.069 56.100 0.135 0.000 1.088 581 R CB 0.454 30.814 30.300 0.100 0.000 0.950 581 R HN 1.225 nan 8.270 nan 0.000 0.419 582 G N 0.940 109.825 108.800 0.142 0.000 2.308 582 G HA2 -0.300 3.659 3.960 -0.001 0.000 0.221 582 G HA3 -0.300 3.659 3.960 -0.001 0.000 0.221 582 G C 0.288 175.221 174.900 0.054 0.000 1.032 582 G CA 0.099 45.261 45.100 0.104 0.000 0.623 582 G HN 0.662 nan 8.290 nan 0.000 0.506 583 S N 0.848 116.594 115.700 0.076 0.000 2.540 583 S HA 0.434 4.903 4.470 -0.001 0.000 0.272 583 S C 0.965 175.552 174.600 -0.022 0.000 1.357 583 S CA 0.730 58.969 58.200 0.066 0.000 1.011 583 S CB 0.722 63.994 63.200 0.120 0.000 0.852 583 S HN 1.541 nan 8.310 nan 0.000 0.535 584 G N -0.966 107.794 108.800 -0.066 0.000 2.735 584 G HA2 0.542 4.501 3.960 -0.001 0.000 0.301 584 G HA3 0.542 4.501 3.960 -0.001 0.000 0.301 584 G C -1.152 173.595 174.900 -0.255 0.000 1.279 584 G CA -0.776 44.113 45.100 -0.352 0.000 1.019 584 G HN 0.770 nan 8.290 nan 0.000 0.497 585 Y N -2.261 118.011 120.300 -0.046 0.000 4.668 585 Y HA -0.221 4.328 4.550 -0.001 0.000 0.234 585 Y C 1.433 177.295 175.900 -0.063 0.000 1.056 585 Y CA 1.093 59.166 58.100 -0.045 0.000 2.025 585 Y CB -2.088 36.369 38.460 -0.004 0.000 1.613 585 Y HN 0.539 nan 8.280 nan 0.000 0.653 586 Q N -0.039 119.725 119.800 -0.061 0.000 2.118 586 Q HA 0.500 4.839 4.340 -0.001 0.000 0.219 586 Q C 0.862 176.645 176.000 -0.363 0.000 0.794 586 Q CA 0.246 56.001 55.803 -0.081 0.000 1.035 586 Q CB 1.732 30.446 28.738 -0.040 0.000 1.177 586 Q HN 0.575 nan 8.270 nan 0.000 0.478 587 G N 0.919 109.393 108.800 -0.543 0.000 2.788 587 G HA2 -0.166 3.793 3.960 -0.001 0.000 0.686 587 G HA3 -0.166 3.793 3.960 -0.001 0.000 0.686 587 G C -0.448 174.047 174.900 -0.676 0.000 1.147 587 G CA -0.596 43.926 45.100 -0.964 0.000 0.755 587 G HN 0.104 nan 8.290 nan 0.000 0.634 588 D N 0.433 120.419 120.400 -0.691 0.000 2.265 588 D HA -0.098 4.541 4.640 -0.001 0.000 0.208 588 D C 2.157 178.177 176.300 -0.467 0.000 0.977 588 D CA 1.324 54.873 54.000 -0.752 0.000 0.871 588 D CB 0.081 40.341 40.800 -0.899 0.000 0.925 588 D HN 0.625 nan 8.370 nan 0.000 0.485 589 K N 0.334 120.521 120.400 -0.354 0.000 2.103 589 K HA -0.115 4.204 4.320 -0.001 0.000 0.207 589 K C 2.010 178.531 176.600 -0.131 0.000 1.048 589 K CA 0.784 56.957 56.287 -0.191 0.000 0.930 589 K CB -0.003 32.407 32.500 -0.150 0.000 0.716 589 K HN 0.166 nan 8.250 nan 0.000 0.444 590 I N 0.109 120.581 120.570 -0.163 0.000 2.296 590 I HA -0.201 3.968 4.170 -0.001 0.000 0.242 590 I C 2.583 178.688 176.117 -0.021 0.000 1.087 590 I CA 0.562 61.837 61.300 -0.042 0.000 1.393 590 I CB -0.089 37.891 38.000 -0.035 0.000 1.093 590 I HN 0.239 nan 8.210 nan 0.000 0.421 591 M N 0.280 119.799 119.600 -0.136 0.000 2.086 591 M HA -0.253 4.227 4.480 -0.001 0.000 0.261 591 M C 1.880 178.210 176.300 0.051 0.000 1.067 591 M CA 2.049 57.295 55.300 -0.090 0.000 1.116 591 M CB -0.360 32.086 32.600 -0.256 0.000 1.348 591 M HN 0.249 nan 8.290 nan 0.000 0.407 592 H N -0.547 118.417 119.070 -0.177 0.000 2.547 592 H HA 0.170 4.725 4.556 -0.001 0.000 0.266 592 H C 1.873 177.207 175.328 0.010 0.000 0.988 592 H CA 0.057 55.993 56.048 -0.187 0.000 1.147 592 H CB 0.110 29.664 29.762 -0.347 0.000 1.365 592 H HN 0.554 nan 8.280 nan 0.000 0.589 593 A N 1.574 124.491 122.820 0.162 0.000 1.940 593 A HA -0.155 4.164 4.320 -0.001 0.000 0.219 593 A C 2.027 179.817 177.584 0.344 0.000 1.176 593 A CA 1.232 53.388 52.037 0.197 0.000 0.631 593 A CB -0.655 18.424 19.000 0.132 0.000 0.814 593 A HN 0.574 nan 8.150 nan 0.000 0.446 594 I N -2.711 118.043 120.570 0.306 0.000 3.858 594 I HA 0.156 4.325 4.170 -0.001 0.000 0.325 594 I C 0.361 176.588 176.117 0.182 0.000 1.403 594 I CA -0.453 60.993 61.300 0.244 0.000 1.169 594 I CB -0.701 37.416 38.000 0.197 0.000 1.077 594 I HN 0.227 nan 8.210 nan 0.000 0.403 595 N N 2.902 121.735 118.700 0.222 0.000 2.454 595 N HA -0.036 4.704 4.740 -0.001 0.000 0.260 595 N C 0.203 175.753 175.510 0.067 0.000 1.218 595 N CA 0.080 53.255 53.050 0.209 0.000 0.904 595 N CB 0.379 38.939 38.487 0.121 0.000 1.065 595 N HN 0.404 nan 8.380 nan 0.000 0.462 596 R N 0.428 120.953 120.500 0.042 0.000 3.932 596 R HA -0.211 4.128 4.340 -0.001 0.000 0.318 596 R C -0.130 176.093 176.300 -0.129 0.000 1.219 596 R CA 0.763 56.843 56.100 -0.033 0.000 0.889 596 R CB -1.010 29.279 30.300 -0.018 0.000 1.309 596 R HN 0.537 nan 8.270 nan 0.000 0.537 597 R N 0.728 121.145 120.500 -0.138 0.000 2.635 597 R HA 0.336 4.675 4.340 -0.001 0.000 0.393 597 R C -0.458 175.823 176.300 -0.033 0.000 1.070 597 R CA -0.213 55.687 56.100 -0.334 0.000 1.118 597 R CB 0.476 30.553 30.300 -0.371 0.000 1.341 597 R HN 0.113 nan 8.270 nan 0.000 0.628 598 L N -0.478 120.793 121.223 0.080 0.000 2.483 598 L HA 0.216 4.555 4.340 -0.001 0.000 0.275 598 L C 1.288 178.376 176.870 0.363 0.000 1.220 598 L CA 1.142 56.059 54.840 0.128 0.000 0.833 598 L CB 0.532 42.477 42.059 -0.191 0.000 1.102 598 L HN 0.688 nan 8.230 nan 0.000 0.490 599 G N 0.416 109.464 108.800 0.414 0.000 2.148 599 G HA2 -0.306 3.653 3.960 -0.001 0.000 0.254 599 G HA3 -0.306 3.653 3.960 -0.001 0.000 0.254 599 G C 0.480 175.472 174.900 0.153 0.000 0.981 599 G CA 0.658 45.966 45.100 0.346 0.000 0.670 599 G HN 0.834 nan 8.290 nan 0.000 0.528 600 T N -3.218 111.387 114.554 0.085 0.000 3.166 600 T HA 0.487 4.837 4.350 -0.001 0.000 0.182 600 T C 1.679 176.367 174.700 -0.019 0.000 0.810 600 T CA 0.950 62.999 62.100 -0.084 0.000 1.441 600 T CB -0.122 68.504 68.868 -0.403 0.000 2.201 600 T HN 0.152 nan 8.240 nan 0.000 0.414 601 F N 3.465 123.455 119.950 0.067 0.000 2.126 601 F HA 0.036 4.562 4.527 -0.002 0.000 0.299 601 F C 2.827 178.657 175.800 0.051 0.000 1.096 601 F CA 1.300 59.327 58.000 0.045 0.000 1.255 601 F CB -0.805 38.219 39.000 0.041 0.000 0.997 601 F HN 0.521 nan 8.300 nan 0.000 0.479 602 E N 1.190 121.549 120.200 0.266 0.000 2.153 602 E HA -0.161 4.188 4.350 -0.001 0.000 0.194 602 E C 2.246 178.946 176.600 0.167 0.000 0.988 602 E CA 1.689 58.211 56.400 0.203 0.000 0.811 602 E CB -1.177 28.648 29.700 0.209 0.000 0.746 602 E HN 0.384 nan 8.360 nan 0.000 0.466 603 V N 0.107 120.097 119.914 0.127 0.000 2.500 603 V HA -0.070 4.049 4.120 -0.001 0.000 0.243 603 V C 2.082 178.210 176.094 0.057 0.000 1.039 603 V CA 1.583 63.915 62.300 0.053 0.000 1.053 603 V CB -0.263 31.534 31.823 -0.043 0.000 0.695 603 V HN 0.088 nan 8.190 nan 0.000 0.463 604 E N 0.269 120.518 120.200 0.082 0.000 2.097 604 E HA -0.254 4.095 4.350 -0.001 0.000 0.196 604 E C 1.857 178.492 176.600 0.058 0.000 1.000 604 E CA 1.906 58.354 56.400 0.080 0.000 0.804 604 E CB -0.149 29.637 29.700 0.142 0.000 0.740 604 E HN 0.684 nan 8.360 nan 0.000 0.454 605 D N -0.185 120.262 120.400 0.079 0.000 2.277 605 D HA -0.105 4.534 4.640 -0.001 0.000 0.208 605 D C 1.830 178.154 176.300 0.039 0.000 0.962 605 D CA 0.604 54.628 54.000 0.040 0.000 0.865 605 D CB -0.003 40.846 40.800 0.082 0.000 0.939 605 D HN 0.059 nan 8.370 nan 0.000 0.510 606 Q N 0.442 120.310 119.800 0.114 0.000 2.123 606 Q HA 0.020 4.360 4.340 -0.001 0.000 0.199 606 Q C 2.132 178.188 176.000 0.094 0.000 0.966 606 Q CA 0.745 56.633 55.803 0.142 0.000 0.845 606 Q CB -0.080 28.744 28.738 0.144 0.000 0.907 606 Q HN 0.309 nan 8.270 nan 0.000 0.439 607 I N 0.062 120.694 120.570 0.104 0.000 2.252 607 I HA -0.201 3.969 4.170 -0.001 0.000 0.245 607 I C 2.187 178.268 176.117 -0.060 0.000 1.102 607 I CA 0.909 62.314 61.300 0.174 0.000 1.385 607 I CB -0.278 37.806 38.000 0.139 0.000 1.064 607 I HN 0.188 nan 8.210 nan 0.000 0.414 608 E N 1.397 121.510 120.200 -0.145 0.000 2.058 608 E HA -0.216 4.134 4.350 -0.001 0.000 0.194 608 E C 2.249 178.549 176.600 -0.499 0.000 0.997 608 E CA 1.723 57.965 56.400 -0.263 0.000 0.801 608 E CB -0.235 29.323 29.700 -0.237 0.000 0.746 608 E HN 0.450 nan 8.360 nan 0.000 0.450 609 A N 0.905 123.272 122.820 -0.755 0.000 1.877 609 A HA -0.110 4.209 4.320 -0.001 0.000 0.216 609 A C 2.431 179.222 177.584 -1.321 0.000 1.186 609 A CA 2.435 53.675 52.037 -1.329 0.000 0.620 609 A CB -0.782 17.230 19.000 -1.648 0.000 0.822 609 A HN 0.314 nan 8.150 nan 0.000 0.443 610 A N -0.491 121.924 122.820 -0.675 0.000 1.902 610 A HA -0.166 4.153 4.320 -0.001 0.000 0.217 610 A C 2.240 179.600 177.584 -0.373 0.000 1.181 610 A CA 1.685 53.489 52.037 -0.388 0.000 0.623 610 A CB -0.522 18.305 19.000 -0.287 0.000 0.818 610 A HN 0.528 nan 8.150 nan 0.000 0.443 611 R N -0.603 119.681 120.500 -0.361 0.000 2.159 611 R HA -0.167 4.172 4.340 -0.001 0.000 0.237 611 R C 2.181 178.323 176.300 -0.263 0.000 1.131 611 R CA 1.734 57.669 56.100 -0.275 0.000 0.982 611 R CB -0.161 30.009 30.300 -0.218 0.000 0.868 611 R HN 0.704 nan 8.270 nan 0.000 0.453 612 Q N -1.137 118.445 119.800 -0.363 0.000 2.165 612 Q HA -0.043 4.296 4.340 -0.001 0.000 0.197 612 Q C 1.853 177.740 176.000 -0.187 0.000 0.952 612 Q CA 0.644 56.272 55.803 -0.292 0.000 0.848 612 Q CB 0.037 28.553 28.738 -0.371 0.000 0.931 612 Q HN 0.255 nan 8.270 nan 0.000 0.470 613 F N 1.787 121.549 119.950 -0.313 0.000 2.120 613 F HA -0.250 4.276 4.527 -0.002 0.000 0.300 613 F C 2.777 178.361 175.800 -0.359 0.000 1.095 613 F CA 1.589 59.383 58.000 -0.343 0.000 1.249 613 F CB -1.349 37.484 39.000 -0.278 0.000 0.995 613 F HN 0.092 nan 8.300 nan 0.000 0.480 614 S N -0.456 115.189 115.700 -0.092 0.000 2.382 614 S HA -0.166 4.303 4.470 -0.001 0.000 0.228 614 S C 1.690 176.180 174.600 -0.183 0.000 1.027 614 S CA 0.868 58.973 58.200 -0.158 0.000 0.991 614 S CB -0.460 62.648 63.200 -0.154 0.000 0.823 614 S HN 0.208 nan 8.310 nan 0.000 0.469 615 K N 0.774 121.077 120.400 -0.162 0.000 2.611 615 K HA 0.268 4.587 4.320 -0.001 0.000 0.193 615 K C 0.813 177.322 176.600 -0.152 0.000 1.026 615 K CA 0.235 56.439 56.287 -0.139 0.000 1.063 615 K CB -0.386 32.045 32.500 -0.115 0.000 0.839 615 K HN 0.550 nan 8.250 nan 0.000 0.505 616 M N -0.851 118.597 119.600 -0.254 0.000 2.453 616 M HA 0.077 4.556 4.480 -0.001 0.000 0.239 616 M C 0.944 177.059 176.300 -0.309 0.000 1.151 616 M CA 0.166 55.289 55.300 -0.295 0.000 0.989 616 M CB 0.502 32.826 32.600 -0.461 0.000 1.548 616 M HN 0.323 nan 8.290 nan 0.000 0.479 617 G N 1.479 110.143 108.800 -0.226 0.000 2.257 617 G HA2 -0.333 3.627 3.960 -0.001 0.000 0.267 617 G HA3 -0.333 3.627 3.960 -0.001 0.000 0.267 617 G C 0.415 175.322 174.900 0.011 0.000 0.984 617 G CA 0.904 45.956 45.100 -0.080 0.000 0.626 617 G HN 0.662 nan 8.290 nan 0.000 0.540 618 F N -0.483 119.518 119.950 0.085 0.000 2.735 618 F HA 0.772 5.299 4.527 -0.001 0.000 0.304 618 F C -0.009 175.910 175.800 0.199 0.000 1.119 618 F CA -1.295 56.801 58.000 0.162 0.000 1.280 618 F CB 0.236 39.376 39.000 0.233 0.000 0.994 618 F HN 0.071 nan 8.300 nan 0.000 0.520 619 V N 1.523 121.375 119.914 -0.104 0.000 2.448 619 V HA 0.233 4.353 4.120 -0.001 0.000 0.295 619 V C -0.853 175.203 176.094 -0.063 0.000 1.025 619 V CA -0.681 61.576 62.300 -0.071 0.000 0.859 619 V CB 1.704 33.400 31.823 -0.211 0.000 0.988 619 V HN 0.154 nan 8.190 nan 0.000 0.431 620 D N 4.233 124.601 120.400 -0.053 0.000 2.453 620 D HA 0.038 4.678 4.640 -0.001 0.000 0.223 620 D C 1.284 177.521 176.300 -0.105 0.000 1.183 620 D CA -0.338 53.610 54.000 -0.087 0.000 0.933 620 D CB 0.444 41.175 40.800 -0.114 0.000 1.038 620 D HN 0.597 nan 8.370 nan 0.000 0.513 621 N N 3.180 121.820 118.700 -0.099 0.000 2.635 621 N HA -0.175 4.565 4.740 -0.001 0.000 0.191 621 N C 0.610 176.067 175.510 -0.088 0.000 1.155 621 N CA 0.575 53.561 53.050 -0.107 0.000 0.927 621 N CB -0.034 38.386 38.487 -0.111 0.000 0.976 621 N HN 0.434 nan 8.380 nan 0.000 0.448 622 K N -0.274 120.081 120.400 -0.075 0.000 2.352 622 K HA 0.194 4.513 4.320 -0.001 0.000 0.194 622 K C 0.260 176.845 176.600 -0.025 0.000 1.038 622 K CA 0.143 56.403 56.287 -0.045 0.000 1.023 622 K CB 0.573 33.049 32.500 -0.040 0.000 0.840 622 K HN 0.090 nan 8.250 nan 0.000 0.519 623 R N 1.360 121.812 120.500 -0.080 0.000 2.651 623 R HA 0.360 4.699 4.340 -0.001 0.000 0.282 623 R C -1.063 175.165 176.300 -0.118 0.000 1.565 623 R CA -0.121 55.921 56.100 -0.097 0.000 1.661 623 R CB 0.644 30.722 30.300 -0.369 0.000 1.189 623 R HN -0.010 nan 8.270 nan 0.000 0.621 624 I N 1.475 122.107 120.570 0.103 0.000 2.382 624 I HA 0.503 4.672 4.170 -0.001 0.000 0.286 624 I C -0.016 176.348 176.117 0.411 0.000 1.002 624 I CA -0.662 60.728 61.300 0.151 0.000 1.135 624 I CB 1.853 39.791 38.000 -0.103 0.000 1.288 624 I HN 0.360 nan 8.210 nan 0.000 0.448 625 A N 7.273 130.461 122.820 0.613 0.000 2.346 625 A HA 0.920 5.239 4.320 -0.001 0.000 0.313 625 A C -1.057 176.902 177.584 0.625 0.000 1.140 625 A CA -0.660 51.729 52.037 0.587 0.000 0.826 625 A CB 2.085 21.307 19.000 0.371 0.000 1.332 625 A HN 0.730 nan 8.150 nan 0.000 0.457 626 I N 0.554 121.422 120.570 0.497 0.000 2.656 626 I HA 0.689 4.858 4.170 -0.001 0.000 0.292 626 I C -1.937 174.444 176.117 0.441 0.000 1.144 626 I CA -0.593 60.939 61.300 0.387 0.000 1.038 626 I CB 1.615 39.601 38.000 -0.023 0.000 1.244 626 I HN 0.935 nan 8.210 nan 0.000 0.420 627 W N 7.053 128.494 121.300 0.234 0.000 3.213 627 W HA 0.847 5.506 4.660 -0.002 0.000 0.318 627 W C -1.513 175.162 176.519 0.261 0.000 1.248 627 W CA -1.034 56.455 57.345 0.240 0.000 1.187 627 W CB 1.121 30.770 29.460 0.316 0.000 1.403 627 W HN 0.824 nan 8.180 nan 0.000 0.556 628 G N 0.931 109.731 108.800 0.001 0.000 2.601 628 G HA2 0.472 4.432 3.960 -0.001 0.000 0.291 628 G HA3 0.472 4.432 3.960 -0.001 0.000 0.291 628 G C -2.728 172.191 174.900 0.031 0.000 1.456 628 G CA -0.711 44.223 45.100 -0.276 0.000 0.804 628 G HN 0.604 nan 8.290 nan 0.000 0.499 629 W N 0.921 122.141 121.300 -0.134 0.000 2.706 629 W HA 0.589 5.248 4.660 -0.001 0.000 0.346 629 W C 0.895 177.473 176.519 0.098 0.000 1.071 629 W CA 0.453 57.804 57.345 0.010 0.000 1.206 629 W CB 1.701 31.169 29.460 0.014 0.000 1.413 629 W HN 1.059 nan 8.180 nan 0.000 0.542 630 S N 1.504 117.508 115.700 0.508 0.000 4.139 630 S HA -0.436 4.034 4.470 -0.001 0.000 0.603 630 S C 0.833 175.556 174.600 0.205 0.000 1.897 630 S CA 1.721 60.187 58.200 0.444 0.000 4.241 630 S CB -1.592 61.974 63.200 0.611 0.000 0.221 630 S HN 0.750 nan 8.310 nan 0.000 0.488 631 Y N 3.068 123.379 120.300 0.019 0.000 2.224 631 Y HA 0.022 4.571 4.550 -0.002 0.000 0.289 631 Y C 2.436 178.243 175.900 -0.155 0.000 1.146 631 Y CA 2.140 60.143 58.100 -0.161 0.000 1.182 631 Y CB -0.997 37.183 38.460 -0.466 0.000 0.983 631 Y HN 0.536 nan 8.280 nan 0.000 0.524 632 G N -1.026 107.775 108.800 0.002 0.000 2.470 632 G HA2 -0.196 3.763 3.960 -0.001 0.000 0.220 632 G HA3 -0.196 3.763 3.960 -0.001 0.000 0.220 632 G C 1.857 176.790 174.900 0.056 0.000 1.121 632 G CA 0.711 45.848 45.100 0.062 0.000 0.766 632 G HN 0.578 nan 8.290 nan 0.000 0.553 633 G N -0.214 108.633 108.800 0.079 0.000 2.403 633 G HA2 -0.173 3.786 3.960 -0.001 0.000 0.216 633 G HA3 -0.173 3.786 3.960 -0.001 0.000 0.216 633 G C 1.565 176.484 174.900 0.031 0.000 1.154 633 G CA 0.951 46.086 45.100 0.059 0.000 0.784 633 G HN 0.405 nan 8.290 nan 0.000 0.538 634 Y N 1.534 121.727 120.300 -0.178 0.000 2.145 634 Y HA -0.112 4.437 4.550 -0.001 0.000 0.286 634 Y C 2.674 178.458 175.900 -0.194 0.000 1.145 634 Y CA 1.530 59.465 58.100 -0.275 0.000 1.148 634 Y CB -0.410 37.724 38.460 -0.543 0.000 0.981 634 Y HN 0.026 nan 8.280 nan 0.000 0.507 635 V N -0.323 119.420 119.914 -0.284 0.000 2.427 635 V HA -0.286 3.833 4.120 -0.001 0.000 0.248 635 V C 2.291 178.251 176.094 -0.225 0.000 1.051 635 V CA 2.322 64.450 62.300 -0.288 0.000 1.048 635 V CB -1.181 30.625 31.823 -0.027 0.000 0.666 635 V HN 0.472 nan 8.190 nan 0.000 0.456 636 T N -0.121 114.364 114.554 -0.116 0.000 2.684 636 T HA -0.197 4.152 4.350 -0.001 0.000 0.267 636 T C 2.159 176.783 174.700 -0.127 0.000 1.036 636 T CA 2.000 64.048 62.100 -0.088 0.000 1.148 636 T CB -0.264 68.641 68.868 0.061 0.000 0.863 636 T HN 0.496 nan 8.240 nan 0.000 0.436 637 S N 0.938 116.590 115.700 -0.081 0.000 2.368 637 S HA -0.004 4.465 4.470 -0.001 0.000 0.224 637 S C 2.137 176.620 174.600 -0.194 0.000 1.029 637 S CA 0.889 59.050 58.200 -0.065 0.000 0.988 637 S CB -0.265 62.954 63.200 0.032 0.000 0.838 637 S HN 0.299 nan 8.310 nan 0.000 0.462 638 M N 0.862 120.263 119.600 -0.332 0.000 2.159 638 M HA -0.017 4.462 4.480 -0.001 0.000 0.263 638 M C 2.193 178.323 176.300 -0.283 0.000 1.063 638 M CA 1.063 56.158 55.300 -0.343 0.000 1.110 638 M CB -1.365 30.924 32.600 -0.518 0.000 1.374 638 M HN 0.171 nan 8.290 nan 0.000 0.411 639 V N 0.458 120.192 119.914 -0.300 0.000 2.358 639 V HA -0.215 3.904 4.120 -0.001 0.000 0.246 639 V C 2.431 178.305 176.094 -0.367 0.000 1.047 639 V CA 1.246 63.358 62.300 -0.312 0.000 1.035 639 V CB -0.479 31.092 31.823 -0.419 0.000 0.658 639 V HN 0.404 nan 8.190 nan 0.000 0.452 640 L N 0.174 121.129 121.223 -0.447 0.000 2.291 640 L HA 0.006 4.345 4.340 -0.001 0.000 0.214 640 L C 2.125 178.506 176.870 -0.815 0.000 1.120 640 L CA 1.300 55.800 54.840 -0.568 0.000 0.799 640 L CB -0.610 41.071 42.059 -0.630 0.000 0.925 640 L HN 0.474 nan 8.230 nan 0.000 0.446 641 G N -1.318 107.065 108.800 -0.695 0.000 3.337 641 G HA2 -0.025 3.934 3.960 -0.001 0.000 0.246 641 G HA3 -0.025 3.934 3.960 -0.001 0.000 0.246 641 G C 1.422 176.175 174.900 -0.246 0.000 1.131 641 G CA 0.544 45.315 45.100 -0.548 0.000 0.773 641 G HN 0.401 nan 8.290 nan 0.000 0.544 642 S N -0.658 114.912 115.700 -0.217 0.000 2.496 642 S HA 0.291 4.760 4.470 -0.001 0.000 0.224 642 S C 1.933 176.484 174.600 -0.081 0.000 0.996 642 S CA 0.969 59.099 58.200 -0.115 0.000 0.927 642 S CB -0.098 63.049 63.200 -0.087 0.000 0.774 642 S HN 1.349 nan 8.310 nan 0.000 0.524 643 G N 1.525 110.263 108.800 -0.103 0.000 2.160 643 G HA2 -0.335 3.624 3.960 -0.001 0.000 0.251 643 G HA3 -0.335 3.624 3.960 -0.001 0.000 0.251 643 G C 0.915 175.800 174.900 -0.025 0.000 1.008 643 G CA 0.855 45.918 45.100 -0.061 0.000 0.724 643 G HN 1.229 nan 8.290 nan 0.000 0.514 644 S N -0.971 114.727 115.700 -0.004 0.000 2.423 644 S HA 0.280 4.749 4.470 -0.001 0.000 0.231 644 S C 2.645 177.257 174.600 0.020 0.000 1.014 644 S CA 1.639 59.855 58.200 0.026 0.000 0.965 644 S CB -0.238 63.014 63.200 0.087 0.000 0.785 644 S HN 2.411 nan 8.310 nan 0.000 0.495 645 G N 0.220 109.038 108.800 0.030 0.000 2.245 645 G HA2 -0.334 3.625 3.960 -0.001 0.000 0.264 645 G HA3 -0.334 3.625 3.960 -0.001 0.000 0.264 645 G C 0.874 175.775 174.900 0.002 0.000 0.985 645 G CA 0.457 45.566 45.100 0.016 0.000 0.625 645 G HN 0.717 nan 8.290 nan 0.000 0.536 646 V N -0.185 119.720 119.914 -0.014 0.000 2.427 646 V HA 0.164 4.283 4.120 -0.001 0.000 0.248 646 V C 1.295 177.200 176.094 -0.315 0.000 1.051 646 V CA 1.762 63.932 62.300 -0.216 0.000 1.048 646 V CB -0.478 31.111 31.823 -0.390 0.000 0.666 646 V HN 0.323 nan 8.190 nan 0.000 0.456 647 F N -0.159 119.800 119.950 0.014 0.000 2.421 647 F HA 0.423 4.950 4.527 -0.001 0.000 0.337 647 F C 1.046 176.883 175.800 0.062 0.000 1.105 647 F CA -0.797 57.238 58.000 0.059 0.000 1.049 647 F CB 1.374 40.413 39.000 0.064 0.000 1.139 647 F HN -0.248 nan 8.300 nan 0.000 0.479 648 K N 1.652 122.211 120.400 0.264 0.000 2.067 648 K HA 0.095 4.414 4.320 -0.001 0.000 0.203 648 K C 0.084 176.808 176.600 0.207 0.000 1.048 648 K CA 0.994 57.398 56.287 0.196 0.000 0.954 648 K CB 0.222 32.836 32.500 0.191 0.000 0.737 648 K HN 0.806 nan 8.250 nan 0.000 0.444 649 c N -2.161 116.595 118.600 0.260 0.000 3.285 649 c HA 0.946 5.516 4.570 -0.001 0.000 0.320 649 c C -0.003 174.307 174.090 0.368 0.000 1.411 649 c CA -0.514 55.985 56.329 0.284 0.000 1.429 649 c CB 1.060 43.652 42.510 0.136 0.000 1.812 649 c HN 0.431 nan 8.230 nan 0.000 0.454 650 G N -0.285 108.812 108.800 0.495 0.000 2.601 650 G HA2 0.681 4.640 3.960 -0.001 0.000 0.291 650 G HA3 0.681 4.640 3.960 -0.001 0.000 0.291 650 G C -2.092 173.051 174.900 0.404 0.000 1.456 650 G CA -0.667 44.698 45.100 0.442 0.000 0.804 650 G HN 0.971 nan 8.290 nan 0.000 0.499 651 I N 0.633 121.403 120.570 0.333 0.000 2.499 651 I HA 0.609 4.778 4.170 -0.001 0.000 0.288 651 I C 0.121 176.367 176.117 0.215 0.000 1.048 651 I CA -0.944 60.432 61.300 0.127 0.000 1.062 651 I CB 2.253 40.297 38.000 0.074 0.000 1.238 651 I HN 0.696 nan 8.210 nan 0.000 0.426 652 A N 6.488 129.332 122.820 0.040 0.000 2.287 652 A HA 0.802 5.121 4.320 -0.001 0.000 0.317 652 A C -0.725 176.788 177.584 -0.119 0.000 1.220 652 A CA -0.517 51.554 52.037 0.056 0.000 0.835 652 A CB 1.111 20.196 19.000 0.142 0.000 1.180 652 A HN 0.439 nan 8.150 nan 0.000 0.500 653 V N 2.060 121.867 119.914 -0.179 0.000 2.384 653 V HA 0.571 4.690 4.120 -0.001 0.000 0.287 653 V C 0.920 176.650 176.094 -0.606 0.000 1.020 653 V CA 0.216 62.191 62.300 -0.542 0.000 0.850 653 V CB 0.604 31.803 31.823 -1.039 0.000 0.987 653 V HN 2.096 nan 8.190 nan 0.000 0.436 654 A N 5.571 128.000 122.820 -0.652 0.000 2.511 654 A HA -0.109 4.210 4.320 -0.001 0.000 0.297 654 A C -1.557 175.855 177.584 -0.286 0.000 1.476 654 A CA 0.614 52.105 52.037 -0.909 0.000 0.757 654 A CB -1.542 17.107 19.000 -0.586 0.000 1.072 654 A HN 0.641 nan 8.150 nan 0.000 0.413 655 P HA 0.484 nan 4.420 nan 0.000 0.279 655 P C -0.107 177.167 177.300 -0.044 0.000 1.276 655 P CA -0.368 62.714 63.100 -0.030 0.000 0.801 655 P CB 1.222 32.925 31.700 0.005 0.000 1.127 656 V N 1.119 120.925 119.914 -0.181 0.000 2.472 656 V HA 0.140 4.259 4.120 -0.001 0.000 0.290 656 V C 1.588 177.493 176.094 -0.315 0.000 1.037 656 V CA 0.328 62.382 62.300 -0.410 0.000 0.908 656 V CB 1.076 32.303 31.823 -0.994 0.000 0.985 656 V HN 0.767 nan 8.190 nan 0.000 0.454 657 S N 4.490 120.038 115.700 -0.254 0.000 2.502 657 S HA 0.205 4.675 4.470 -0.001 0.000 0.228 657 S C 0.556 174.956 174.600 -0.333 0.000 1.061 657 S CA -0.342 57.760 58.200 -0.164 0.000 0.935 657 S CB 0.217 63.383 63.200 -0.057 0.000 0.809 657 S HN 0.817 nan 8.310 nan 0.000 0.510 658 R N -1.206 118.964 120.500 -0.550 0.000 2.548 658 R HA 0.481 4.820 4.340 -0.001 0.000 0.280 658 R C -0.938 174.990 176.300 -0.620 0.000 1.061 658 R CA -0.920 54.804 56.100 -0.626 0.000 0.915 658 R CB 0.001 29.946 30.300 -0.591 0.000 1.210 658 R HN 0.148 nan 8.270 nan 0.000 0.442 659 W N 1.427 122.640 121.300 -0.145 0.000 2.387 659 W HA -0.076 4.583 4.660 -0.002 0.000 0.272 659 W C 0.925 177.587 176.519 0.239 0.000 1.224 659 W CA 0.838 58.210 57.345 0.046 0.000 1.210 659 W CB 0.129 29.572 29.460 -0.028 0.000 1.125 659 W HN 0.689 nan 8.180 nan 0.000 0.572 660 E N -0.937 119.413 120.200 0.250 0.000 2.516 660 E HA -0.154 4.195 4.350 -0.001 0.000 0.199 660 E C 1.080 177.855 176.600 0.291 0.000 1.069 660 E CA 0.507 57.021 56.400 0.190 0.000 0.876 660 E CB -0.170 29.539 29.700 0.014 0.000 0.843 660 E HN 0.395 nan 8.360 nan 0.000 0.530 661 Y N -1.371 119.026 120.300 0.161 0.000 2.503 661 Y HA 0.064 4.613 4.550 -0.001 0.000 0.277 661 Y C 0.898 176.920 175.900 0.202 0.000 1.102 661 Y CA -0.445 57.724 58.100 0.116 0.000 1.261 661 Y CB -0.392 38.075 38.460 0.012 0.000 1.096 661 Y HN 0.012 nan 8.280 nan 0.000 0.546 662 Y N 2.402 122.875 120.300 0.288 0.000 2.295 662 Y HA 0.222 4.771 4.550 -0.001 0.000 0.331 662 Y C 0.506 176.641 175.900 0.392 0.000 1.311 662 Y CA -1.698 56.582 58.100 0.300 0.000 1.430 662 Y CB 0.171 38.836 38.460 0.341 0.000 1.339 662 Y HN 0.226 nan 8.280 nan 0.000 0.552 663 D N -0.609 119.534 120.400 -0.428 0.000 2.378 663 D HA 0.070 4.709 4.640 -0.001 0.000 0.238 663 D C 0.985 177.280 176.300 -0.008 0.000 1.180 663 D CA 0.435 54.251 54.000 -0.306 0.000 0.895 663 D CB 0.660 41.102 40.800 -0.597 0.000 1.192 663 D HN 0.469 nan 8.370 nan 0.000 0.438 664 S N 0.965 116.670 115.700 0.008 0.000 2.343 664 S HA -0.231 4.238 4.470 -0.001 0.000 0.219 664 S C 2.017 176.653 174.600 0.060 0.000 1.033 664 S CA 1.180 59.433 58.200 0.089 0.000 1.014 664 S CB -1.120 62.140 63.200 0.099 0.000 0.915 664 S HN 0.432 nan 8.310 nan 0.000 0.435 665 V N 1.007 120.890 119.914 -0.052 0.000 2.278 665 V HA -0.229 3.890 4.120 -0.001 0.000 0.251 665 V C 2.307 178.313 176.094 -0.147 0.000 1.062 665 V CA 2.471 64.638 62.300 -0.222 0.000 1.038 665 V CB -1.075 30.457 31.823 -0.485 0.000 0.646 665 V HN 0.626 nan 8.190 nan 0.000 0.447 666 Y N 1.104 121.345 120.300 -0.098 0.000 2.153 666 Y HA -0.180 4.369 4.550 -0.002 0.000 0.289 666 Y C 2.758 178.693 175.900 0.058 0.000 1.119 666 Y CA 2.206 60.334 58.100 0.046 0.000 1.116 666 Y CB -0.694 37.972 38.460 0.344 0.000 1.004 666 Y HN 0.202 nan 8.280 nan 0.000 0.501 667 T N 0.478 115.313 114.554 0.469 0.000 2.699 667 T HA -0.228 4.121 4.350 -0.001 0.000 0.268 667 T C 1.547 176.258 174.700 0.019 0.000 1.036 667 T CA 2.050 64.334 62.100 0.306 0.000 1.147 667 T CB -0.318 68.868 68.868 0.531 0.000 0.862 667 T HN 0.440 nan 8.240 nan 0.000 0.446 668 E N 0.235 120.456 120.200 0.036 0.000 2.274 668 E HA -0.036 4.313 4.350 -0.001 0.000 0.194 668 E C 2.320 178.806 176.600 -0.191 0.000 0.996 668 E CA 0.317 56.717 56.400 0.001 0.000 0.840 668 E CB -0.059 29.688 29.700 0.078 0.000 0.772 668 E HN 0.329 nan 8.360 nan 0.000 0.491 669 R N -0.138 120.082 120.500 -0.466 0.000 2.120 669 R HA -0.164 4.176 4.340 -0.001 0.000 0.234 669 R C 1.122 176.855 176.300 -0.946 0.000 1.123 669 R CA 1.464 57.086 56.100 -0.797 0.000 0.975 669 R CB 0.065 29.563 30.300 -1.337 0.000 0.866 669 R HN 0.212 nan 8.270 nan 0.000 0.446 670 Y N -2.097 117.905 120.300 -0.497 0.000 2.535 670 Y HA 0.231 4.780 4.550 -0.001 0.000 0.266 670 Y C 1.698 177.426 175.900 -0.286 0.000 1.088 670 Y CA 0.083 57.901 58.100 -0.470 0.000 1.285 670 Y CB 0.388 38.447 38.460 -0.669 0.000 1.166 670 Y HN -0.056 nan 8.280 nan 0.000 0.525 671 M N -0.234 119.253 119.600 -0.189 0.000 2.333 671 M HA 0.358 4.837 4.480 -0.001 0.000 0.257 671 M C 0.988 177.284 176.300 -0.006 0.000 1.078 671 M CA 0.758 55.933 55.300 -0.208 0.000 1.005 671 M CB -0.323 31.922 32.600 -0.593 0.000 1.444 671 M HN 0.350 nan 8.290 nan 0.000 0.496 672 G N 1.925 110.750 108.800 0.041 0.000 2.645 672 G HA2 -0.220 3.739 3.960 -0.001 0.000 0.239 672 G HA3 -0.220 3.739 3.960 -0.001 0.000 0.239 672 G C -0.831 174.216 174.900 0.245 0.000 1.331 672 G CA -0.832 44.337 45.100 0.115 0.000 0.890 672 G HN 0.255 nan 8.290 nan 0.000 0.572 673 L N 2.483 123.820 121.223 0.189 0.000 2.334 673 L HA 0.496 4.835 4.340 -0.001 0.000 0.277 673 L C -1.037 175.889 176.870 0.095 0.000 1.075 673 L CA -1.513 53.407 54.840 0.134 0.000 0.804 673 L CB 1.344 43.437 42.059 0.056 0.000 1.174 673 L HN 0.443 nan 8.230 nan 0.000 0.438 674 P HA 0.048 nan 4.420 nan 0.000 0.246 674 P C -0.491 176.694 177.300 -0.192 0.000 1.686 674 P CA -0.137 62.636 63.100 -0.544 0.000 0.867 674 P CB -0.512 30.534 31.700 -1.089 0.000 1.733 675 T N -3.401 111.120 114.554 -0.056 0.000 2.918 675 T HA 0.426 4.775 4.350 -0.001 0.000 0.286 675 T C -1.844 172.865 174.700 0.014 0.000 1.026 675 T CA -2.413 59.675 62.100 -0.021 0.000 1.031 675 T CB 1.883 70.747 68.868 -0.006 0.000 1.046 675 T HN -0.200 nan 8.240 nan 0.000 0.479 676 P HA -0.023 nan 4.420 nan 0.000 0.225 676 P C 0.536 177.855 177.300 0.032 0.000 1.148 676 P CA 0.904 64.021 63.100 0.028 0.000 0.779 676 P CB 0.174 31.885 31.700 0.019 0.000 0.780 677 E N -0.871 119.344 120.200 0.026 0.000 2.385 677 E HA -0.037 4.313 4.350 -0.001 0.000 0.194 677 E C 1.440 178.061 176.600 0.034 0.000 1.013 677 E CA 0.540 56.955 56.400 0.025 0.000 0.866 677 E CB -0.243 29.467 29.700 0.016 0.000 0.832 677 E HN 0.272 nan 8.360 nan 0.000 0.500 678 D N -0.246 120.183 120.400 0.048 0.000 2.931 678 D HA 0.099 4.739 4.640 -0.001 0.000 0.241 678 D C 0.170 176.530 176.300 0.099 0.000 1.494 678 D CA 0.150 54.190 54.000 0.067 0.000 1.260 678 D CB 0.054 40.898 40.800 0.073 0.000 0.953 678 D HN 0.019 nan 8.370 nan 0.000 0.240 679 N N 0.138 118.933 118.700 0.158 0.000 2.451 679 N HA 0.050 4.789 4.740 -0.001 0.000 0.271 679 N C 1.063 176.779 175.510 0.343 0.000 1.410 679 N CA -0.093 53.093 53.050 0.226 0.000 0.884 679 N CB 0.825 39.453 38.487 0.234 0.000 1.332 679 N HN -0.004 nan 8.380 nan 0.000 0.498 680 L N 0.889 122.241 121.223 0.215 0.000 2.046 680 L HA -0.101 4.239 4.340 -0.001 0.000 0.208 680 L C 1.624 178.611 176.870 0.195 0.000 1.077 680 L CA 1.960 56.903 54.840 0.173 0.000 0.747 680 L CB -0.391 41.697 42.059 0.050 0.000 0.896 680 L HN 0.193 nan 8.230 nan 0.000 0.432 681 D N -1.203 119.290 120.400 0.155 0.000 2.116 681 D HA -0.282 4.357 4.640 -0.001 0.000 0.193 681 D C 1.995 178.396 176.300 0.167 0.000 0.998 681 D CA 1.903 55.983 54.000 0.134 0.000 0.836 681 D CB -0.123 40.743 40.800 0.110 0.000 0.951 681 D HN 0.561 nan 8.370 nan 0.000 0.449 682 H N -0.783 118.350 119.070 0.105 0.000 2.462 682 H HA -0.066 4.489 4.556 -0.002 0.000 0.292 682 H C 1.710 177.107 175.328 0.116 0.000 1.049 682 H CA 1.072 57.164 56.048 0.072 0.000 1.334 682 H CB -0.284 29.485 29.762 0.012 0.000 1.404 682 H HN 0.147 nan 8.280 nan 0.000 0.544 683 Y N 0.322 120.630 120.300 0.012 0.000 2.165 683 Y HA -0.200 4.349 4.550 -0.001 0.000 0.286 683 Y C 2.397 178.270 175.900 -0.046 0.000 1.155 683 Y CA 1.541 59.647 58.100 0.010 0.000 1.164 683 Y CB 0.133 38.629 38.460 0.060 0.000 0.978 683 Y HN 0.133 nan 8.280 nan 0.000 0.513 684 R N -0.301 120.275 120.500 0.126 0.000 2.093 684 R HA -0.067 4.272 4.340 -0.001 0.000 0.224 684 R C 1.515 177.808 176.300 -0.012 0.000 1.101 684 R CA 1.079 57.205 56.100 0.044 0.000 0.979 684 R CB -0.909 29.420 30.300 0.047 0.000 0.877 684 R HN 0.348 nan 8.270 nan 0.000 0.441 685 N N 0.523 119.198 118.700 -0.041 0.000 2.512 685 N HA -0.080 4.659 4.740 -0.001 0.000 0.183 685 N C 0.427 175.879 175.510 -0.096 0.000 1.073 685 N CA 0.915 53.937 53.050 -0.046 0.000 0.911 685 N CB 0.139 38.640 38.487 0.024 0.000 0.964 685 N HN 0.146 nan 8.380 nan 0.000 0.447 686 S N -1.298 114.302 115.700 -0.167 0.000 2.526 686 S HA 0.179 4.648 4.470 -0.001 0.000 0.245 686 S C 0.407 175.036 174.600 0.048 0.000 1.103 686 S CA -0.804 57.360 58.200 -0.060 0.000 1.095 686 S CB -0.531 62.607 63.200 -0.102 0.000 0.826 686 S HN 0.183 nan 8.310 nan 0.000 0.468 687 T N -2.136 112.409 114.554 -0.015 0.000 2.881 687 T HA 0.549 4.899 4.350 -0.001 0.000 0.278 687 T C 1.162 175.849 174.700 -0.021 0.000 0.982 687 T CA -0.611 61.463 62.100 -0.044 0.000 0.989 687 T CB 1.146 69.960 68.868 -0.089 0.000 1.058 687 T HN -0.018 nan 8.240 nan 0.000 0.529 688 V N 1.127 121.018 119.914 -0.039 0.000 2.599 688 V HA -0.062 4.057 4.120 -0.001 0.000 0.245 688 V C 2.645 178.700 176.094 -0.065 0.000 1.046 688 V CA 0.952 63.226 62.300 -0.043 0.000 1.065 688 V CB -0.626 31.165 31.823 -0.053 0.000 0.703 688 V HN 0.827 nan 8.190 nan 0.000 0.464 689 M N 1.241 120.788 119.600 -0.088 0.000 2.149 689 M HA -0.124 4.355 4.480 -0.001 0.000 0.261 689 M C 2.347 178.612 176.300 -0.058 0.000 1.064 689 M CA 2.214 57.455 55.300 -0.099 0.000 1.102 689 M CB -2.177 30.376 32.600 -0.078 0.000 1.369 689 M HN 0.539 nan 8.290 nan 0.000 0.408 690 S N 0.409 116.088 115.700 -0.036 0.000 2.500 690 S HA -0.066 4.403 4.470 -0.001 0.000 0.239 690 S C 1.873 176.476 174.600 0.004 0.000 0.989 690 S CA 0.793 58.984 58.200 -0.016 0.000 0.951 690 S CB -0.489 62.702 63.200 -0.015 0.000 0.759 690 S HN 0.609 nan 8.310 nan 0.000 0.523 691 R N 0.181 120.695 120.500 0.024 0.000 2.397 691 R HA 0.453 4.792 4.340 -0.001 0.000 0.241 691 R C 2.369 178.773 176.300 0.174 0.000 0.914 691 R CA 0.458 56.603 56.100 0.075 0.000 1.071 691 R CB -0.296 30.050 30.300 0.077 0.000 1.116 691 R HN 0.437 nan 8.270 nan 0.000 0.524 692 A N 1.725 124.588 122.820 0.071 0.000 1.944 692 A HA -0.356 3.963 4.320 -0.001 0.000 0.222 692 A C 1.974 179.653 177.584 0.158 0.000 1.237 692 A CA 2.248 54.277 52.037 -0.014 0.000 0.668 692 A CB -0.453 18.467 19.000 -0.133 0.000 0.830 692 A HN 0.301 nan 8.150 nan 0.000 0.471 693 E N 0.373 120.633 120.200 0.100 0.000 2.114 693 E HA -0.217 4.133 4.350 -0.001 0.000 0.199 693 E C 1.517 178.187 176.600 0.118 0.000 1.008 693 E CA 2.003 58.457 56.400 0.090 0.000 0.810 693 E CB -0.581 29.150 29.700 0.052 0.000 0.739 693 E HN 0.821 nan 8.360 nan 0.000 0.456 694 N N -1.107 117.659 118.700 0.111 0.000 2.571 694 N HA -0.067 4.672 4.740 -0.001 0.000 0.189 694 N C 0.437 175.922 175.510 -0.041 0.000 1.154 694 N CA -0.033 53.027 53.050 0.017 0.000 0.907 694 N CB -0.066 38.382 38.487 -0.065 0.000 0.977 694 N HN 0.136 nan 8.380 nan 0.000 0.449 695 F N 1.150 121.059 119.950 -0.069 0.000 2.710 695 F HA 0.121 4.647 4.527 -0.001 0.000 0.298 695 F C 1.857 177.660 175.800 0.005 0.000 1.137 695 F CA 0.367 58.323 58.000 -0.075 0.000 1.444 695 F CB 0.103 39.020 39.000 -0.139 0.000 1.111 695 F HN -0.097 nan 8.300 nan 0.000 0.580 696 K N -0.172 120.326 120.400 0.163 0.000 2.160 696 K HA -0.199 4.120 4.320 -0.001 0.000 0.206 696 K C 1.643 178.298 176.600 0.093 0.000 1.047 696 K CA 1.050 57.412 56.287 0.125 0.000 0.930 696 K CB -0.144 32.409 32.500 0.089 0.000 0.720 696 K HN 0.214 nan 8.250 nan 0.000 0.450 697 Q N 0.143 119.974 119.800 0.051 0.000 2.444 697 Q HA 0.010 4.349 4.340 -0.001 0.000 0.206 697 Q C 0.759 176.785 176.000 0.043 0.000 0.948 697 Q CA 0.406 56.229 55.803 0.033 0.000 0.946 697 Q CB 0.122 28.860 28.738 -0.000 0.000 1.027 697 Q HN 0.260 nan 8.270 nan 0.000 0.513 698 V N -3.490 116.460 119.914 0.061 0.000 3.160 698 V HA 0.530 4.649 4.120 -0.001 0.000 0.310 698 V C -0.857 175.360 176.094 0.204 0.000 1.181 698 V CA -1.256 61.103 62.300 0.099 0.000 1.047 698 V CB 2.501 34.334 31.823 0.016 0.000 1.068 698 V HN -0.083 nan 8.190 nan 0.000 0.441 699 E N 1.397 121.748 120.200 0.252 0.000 2.146 699 E HA 0.459 4.808 4.350 -0.001 0.000 0.282 699 E C -1.922 175.018 176.600 0.566 0.000 0.989 699 E CA -0.365 56.251 56.400 0.359 0.000 0.799 699 E CB 1.749 31.596 29.700 0.245 0.000 1.088 699 E HN 0.682 nan 8.360 nan 0.000 0.397 700 Y N 3.382 123.932 120.300 0.417 0.000 2.446 700 Y HA 0.466 5.015 4.550 -0.001 0.000 0.345 700 Y C -1.544 174.471 175.900 0.191 0.000 0.984 700 Y CA -1.181 57.118 58.100 0.332 0.000 1.058 700 Y CB 1.091 39.762 38.460 0.351 0.000 1.220 700 Y HN 0.426 nan 8.280 nan 0.000 0.455 701 L N 7.801 128.779 121.223 -0.408 0.000 2.372 701 L HA 0.494 4.833 4.340 -0.001 0.000 0.274 701 L C -1.748 174.693 176.870 -0.715 0.000 0.988 701 L CA -0.754 53.706 54.840 -0.632 0.000 0.833 701 L CB 1.132 42.504 42.059 -1.145 0.000 1.236 701 L HN 0.679 nan 8.230 nan 0.000 0.410 702 L N 6.311 127.208 121.223 -0.545 0.000 2.272 702 L HA 0.555 4.895 4.340 -0.001 0.000 0.289 702 L C -0.784 175.969 176.870 -0.195 0.000 1.032 702 L CA -0.430 54.148 54.840 -0.438 0.000 0.810 702 L CB 1.438 43.305 42.059 -0.321 0.000 1.205 702 L HN 0.594 nan 8.230 nan 0.000 0.422 703 I N 4.109 124.569 120.570 -0.182 0.000 2.465 703 I HA 0.449 4.619 4.170 -0.001 0.000 0.291 703 I C -0.900 175.202 176.117 -0.025 0.000 1.014 703 I CA -0.704 60.541 61.300 -0.093 0.000 1.093 703 I CB 1.833 39.735 38.000 -0.163 0.000 1.267 703 I HN 0.522 nan 8.210 nan 0.000 0.431 704 H N 3.350 122.483 119.070 0.105 0.000 3.029 704 H HA 0.407 4.962 4.556 -0.001 0.000 0.358 704 H C -0.689 174.885 175.328 0.411 0.000 1.129 704 H CA -0.563 55.607 56.048 0.204 0.000 1.230 704 H CB 2.454 32.289 29.762 0.121 0.000 1.827 704 H HN 0.737 nan 8.280 nan 0.000 0.530 705 G N 1.040 110.245 108.800 0.674 0.000 2.390 705 G HA2 0.237 4.196 3.960 -0.001 0.000 0.270 705 G HA3 0.237 4.196 3.960 -0.001 0.000 0.270 705 G C 1.116 176.285 174.900 0.448 0.000 1.211 705 G CA 0.206 45.617 45.100 0.519 0.000 0.842 705 G HN 0.662 nan 8.290 nan 0.000 0.519 706 T N -0.634 114.033 114.554 0.189 0.000 2.951 706 T HA 0.051 4.400 4.350 -0.001 0.000 0.268 706 T C 1.874 176.576 174.700 0.003 0.000 1.073 706 T CA 1.361 63.396 62.100 -0.108 0.000 1.134 706 T CB 0.109 68.850 68.868 -0.212 0.000 0.884 706 T HN 0.652 nan 8.240 nan 0.000 0.479 707 A N 1.021 123.923 122.820 0.137 0.000 2.415 707 A HA 0.264 4.583 4.320 -0.001 0.000 0.248 707 A C 0.638 178.226 177.584 0.007 0.000 1.299 707 A CA -0.412 51.715 52.037 0.150 0.000 0.899 707 A CB -0.383 18.905 19.000 0.481 0.000 0.997 707 A HN 0.430 nan 8.150 nan 0.000 0.506 708 D N 1.566 121.991 120.400 0.042 0.000 2.389 708 D HA -0.038 4.601 4.640 -0.001 0.000 0.263 708 D C 0.328 176.588 176.300 -0.067 0.000 1.255 708 D CA 0.328 54.420 54.000 0.153 0.000 0.914 708 D CB 0.640 41.679 40.800 0.398 0.000 1.116 708 D HN 0.556 nan 8.370 nan 0.000 0.502 709 D N 2.614 123.023 120.400 0.015 0.000 2.333 709 D HA -0.140 4.499 4.640 -0.001 0.000 0.208 709 D C 1.052 177.259 176.300 -0.155 0.000 0.984 709 D CA -0.070 53.871 54.000 -0.099 0.000 0.873 709 D CB 0.263 40.932 40.800 -0.218 0.000 0.935 709 D HN 0.235 nan 8.370 nan 0.000 0.521 710 N N 0.930 119.650 118.700 0.034 0.000 2.187 710 N HA -0.057 4.682 4.740 -0.001 0.000 0.190 710 N C -0.005 175.415 175.510 -0.151 0.000 1.052 710 N CA 0.696 53.815 53.050 0.115 0.000 0.863 710 N CB 0.348 38.910 38.487 0.125 0.000 1.041 710 N HN -0.071 nan 8.380 nan 0.000 0.447 711 V N 2.746 122.555 119.914 -0.174 0.000 2.294 711 V HA 0.209 4.328 4.120 -0.001 0.000 0.272 711 V C -0.583 175.520 176.094 0.014 0.000 1.027 711 V CA -0.477 61.776 62.300 -0.080 0.000 0.823 711 V CB -0.101 31.710 31.823 -0.019 0.000 1.030 711 V HN 0.283 nan 8.190 nan 0.000 0.457 712 H N 3.190 122.218 119.070 -0.070 0.000 2.897 712 H HA -0.008 4.547 4.556 -0.001 0.000 0.347 712 H C 0.797 175.955 175.328 -0.284 0.000 1.068 712 H CA -0.058 55.863 56.048 -0.211 0.000 1.426 712 H CB 0.754 30.316 29.762 -0.332 0.000 1.410 712 H HN 0.623 nan 8.280 nan 0.000 0.597 713 F N 2.024 121.750 119.950 -0.373 0.000 2.236 713 F HA -0.292 4.234 4.527 -0.001 0.000 0.302 713 F C 2.526 178.072 175.800 -0.423 0.000 1.073 713 F CA 1.692 59.302 58.000 -0.650 0.000 1.336 713 F CB -0.194 38.592 39.000 -0.356 0.000 1.040 713 F HN 0.664 nan 8.300 nan 0.000 0.507 714 Q N 0.212 119.875 119.800 -0.228 0.000 2.112 714 Q HA -0.301 4.038 4.340 -0.001 0.000 0.206 714 Q C 2.033 177.835 176.000 -0.329 0.000 0.987 714 Q CA 2.189 57.822 55.803 -0.283 0.000 0.858 714 Q CB -0.395 28.139 28.738 -0.341 0.000 0.905 714 Q HN 0.593 nan 8.270 nan 0.000 0.420 715 Q N -0.434 119.216 119.800 -0.249 0.000 2.170 715 Q HA -0.100 4.240 4.340 -0.001 0.000 0.203 715 Q C 2.040 177.971 176.000 -0.114 0.000 0.976 715 Q CA 1.500 57.276 55.803 -0.045 0.000 0.858 715 Q CB 0.079 28.857 28.738 0.066 0.000 0.907 715 Q HN 0.300 nan 8.270 nan 0.000 0.433 716 S N -0.048 115.465 115.700 -0.312 0.000 2.478 716 S HA 0.102 4.571 4.470 -0.001 0.000 0.222 716 S C 1.842 176.214 174.600 -0.379 0.000 1.008 716 S CA 0.474 58.493 58.200 -0.302 0.000 0.928 716 S CB 0.190 63.201 63.200 -0.315 0.000 0.781 716 S HN 0.427 nan 8.310 nan 0.000 0.518 717 A N 1.074 123.598 122.820 -0.493 0.000 2.015 717 A HA -0.047 4.272 4.320 -0.001 0.000 0.219 717 A C 2.033 179.532 177.584 -0.141 0.000 1.163 717 A CA 0.930 52.792 52.037 -0.292 0.000 0.646 717 A CB -0.224 18.650 19.000 -0.210 0.000 0.806 717 A HN 0.333 nan 8.150 nan 0.000 0.448 718 Q N -0.623 119.106 119.800 -0.118 0.000 2.331 718 Q HA 0.137 4.476 4.340 -0.001 0.000 0.203 718 Q C 1.934 177.892 176.000 -0.071 0.000 0.944 718 Q CA 0.629 56.409 55.803 -0.038 0.000 0.892 718 Q CB -0.113 28.677 28.738 0.086 0.000 0.983 718 Q HN 0.760 nan 8.270 nan 0.000 0.482 719 I N 0.938 121.439 120.570 -0.115 0.000 2.333 719 I HA -0.214 3.955 4.170 -0.001 0.000 0.246 719 I C 2.456 178.425 176.117 -0.248 0.000 1.106 719 I CA 1.263 62.455 61.300 -0.180 0.000 1.411 719 I CB -0.193 37.710 38.000 -0.161 0.000 1.082 719 I HN 0.157 nan 8.210 nan 0.000 0.420 720 S N 0.761 116.359 115.700 -0.170 0.000 2.387 720 S HA -0.223 4.246 4.470 -0.001 0.000 0.226 720 S C 2.052 176.656 174.600 0.007 0.000 1.026 720 S CA 1.061 59.219 58.200 -0.070 0.000 0.972 720 S CB -0.324 62.978 63.200 0.170 0.000 0.814 720 S HN 0.314 nan 8.310 nan 0.000 0.477 721 K N 1.636 122.027 120.400 -0.015 0.000 2.063 721 K HA -0.009 4.310 4.320 -0.001 0.000 0.208 721 K C 2.299 178.886 176.600 -0.021 0.000 1.048 721 K CA 1.266 57.554 56.287 0.002 0.000 0.928 721 K CB -0.716 31.779 32.500 -0.009 0.000 0.713 721 K HN 0.461 nan 8.250 nan 0.000 0.442 722 A N 1.035 123.812 122.820 -0.071 0.000 1.902 722 A HA -0.126 4.193 4.320 -0.001 0.000 0.217 722 A C 2.103 179.625 177.584 -0.103 0.000 1.181 722 A CA 1.352 53.336 52.037 -0.088 0.000 0.623 722 A CB -0.602 18.323 19.000 -0.126 0.000 0.818 722 A HN 0.325 nan 8.150 nan 0.000 0.443 723 L N -0.604 120.516 121.223 -0.172 0.000 2.056 723 L HA -0.145 4.195 4.340 -0.001 0.000 0.207 723 L C 2.515 179.419 176.870 0.056 0.000 1.078 723 L CA 1.026 55.776 54.840 -0.149 0.000 0.749 723 L CB -0.575 41.245 42.059 -0.399 0.000 0.901 723 L HN 0.249 nan 8.230 nan 0.000 0.433 724 V N -0.271 119.713 119.914 0.116 0.000 2.343 724 V HA -0.267 3.852 4.120 -0.001 0.000 0.247 724 V C 1.876 178.009 176.094 0.065 0.000 1.051 724 V CA 1.773 64.150 62.300 0.127 0.000 1.036 724 V CB -0.527 31.367 31.823 0.119 0.000 0.654 724 V HN 0.426 nan 8.190 nan 0.000 0.451 725 D N -0.315 120.106 120.400 0.035 0.000 2.310 725 D HA -0.065 4.574 4.640 -0.001 0.000 0.212 725 D C 1.684 177.998 176.300 0.023 0.000 0.965 725 D CA 0.796 54.809 54.000 0.022 0.000 0.879 725 D CB 0.208 41.013 40.800 0.008 0.000 0.921 725 D HN 0.371 nan 8.370 nan 0.000 0.510 726 V N -0.728 119.201 119.914 0.026 0.000 3.578 726 V HA 0.241 4.361 4.120 -0.001 0.000 0.290 726 V C 1.421 177.545 176.094 0.050 0.000 1.376 726 V CA 0.591 62.909 62.300 0.030 0.000 1.083 726 V CB 0.423 32.257 31.823 0.017 0.000 0.911 726 V HN 0.296 nan 8.190 nan 0.000 0.433 727 G N 0.998 109.836 108.800 0.064 0.000 2.160 727 G HA2 -0.203 3.756 3.960 -0.001 0.000 0.244 727 G HA3 -0.203 3.756 3.960 -0.001 0.000 0.244 727 G C 0.043 175.007 174.900 0.106 0.000 1.022 727 G CA 0.245 45.390 45.100 0.076 0.000 0.741 727 G HN 0.406 nan 8.290 nan 0.000 0.508 728 V N 0.476 120.476 119.914 0.143 0.000 2.407 728 V HA 0.502 4.621 4.120 -0.001 0.000 0.278 728 V C 0.342 176.632 176.094 0.326 0.000 1.037 728 V CA -0.446 61.976 62.300 0.203 0.000 0.900 728 V CB 1.756 33.687 31.823 0.180 0.000 0.983 728 V HN 0.406 nan 8.190 nan 0.000 0.459 729 D N 3.999 124.563 120.400 0.273 0.000 2.255 729 D HA 0.642 5.281 4.640 -0.001 0.000 0.249 729 D C -0.668 175.866 176.300 0.389 0.000 1.078 729 D CA 0.059 54.194 54.000 0.225 0.000 0.896 729 D CB 0.839 41.707 40.800 0.112 0.000 1.194 729 D HN 0.356 nan 8.370 nan 0.000 0.429 730 F N -0.132 119.894 119.950 0.127 0.000 2.741 730 F HA 0.442 4.968 4.527 -0.002 0.000 0.313 730 F C -1.265 174.593 175.800 0.096 0.000 1.153 730 F CA -1.170 56.928 58.000 0.164 0.000 0.931 730 F CB 0.644 39.778 39.000 0.224 0.000 1.335 730 F HN 0.091 nan 8.300 nan 0.000 0.460 731 Q N 1.324 121.235 119.800 0.184 0.000 2.221 731 Q HA 0.816 5.155 4.340 -0.001 0.000 0.242 731 Q C -0.646 175.374 176.000 0.034 0.000 0.940 731 Q CA -0.642 55.178 55.803 0.028 0.000 0.896 731 Q CB 2.040 30.826 28.738 0.080 0.000 1.226 731 Q HN 1.037 nan 8.270 nan 0.000 0.463 732 A N 1.289 124.088 122.820 -0.035 0.000 2.569 732 A HA 0.850 5.169 4.320 -0.001 0.000 0.290 732 A C -1.400 176.123 177.584 -0.101 0.000 1.136 732 A CA -0.564 51.471 52.037 -0.002 0.000 0.710 732 A CB 2.062 21.108 19.000 0.076 0.000 1.303 732 A HN 0.602 nan 8.150 nan 0.000 0.413 733 M N 0.827 120.353 119.600 -0.123 0.000 2.362 733 M HA 0.474 4.954 4.480 -0.001 0.000 0.242 733 M C -2.173 173.960 176.300 -0.279 0.000 0.995 733 M CA -0.602 54.465 55.300 -0.388 0.000 0.904 733 M CB 0.721 32.996 32.600 -0.542 0.000 2.202 733 M HN 1.066 nan 8.290 nan 0.000 0.464 734 W N 4.594 125.710 121.300 -0.306 0.000 2.516 734 W HA 0.791 5.450 4.660 -0.002 0.000 0.343 734 W C -1.878 174.360 176.519 -0.469 0.000 1.094 734 W CA -0.737 56.505 57.345 -0.171 0.000 1.250 734 W CB 0.428 29.828 29.460 -0.100 0.000 1.308 734 W HN 0.622 nan 8.180 nan 0.000 0.588 735 Y N 2.667 123.094 120.300 0.212 0.000 2.686 735 Y HA 0.237 4.786 4.550 -0.001 0.000 0.331 735 Y C 0.809 176.811 175.900 0.169 0.000 0.996 735 Y CA -1.240 56.905 58.100 0.076 0.000 1.293 735 Y CB 1.002 39.482 38.460 0.034 0.000 1.092 735 Y HN 0.624 nan 8.280 nan 0.000 0.524 736 T N 2.773 117.513 114.554 0.310 0.000 2.778 736 T HA 0.002 4.351 4.350 -0.001 0.000 0.282 736 T C 0.485 175.257 174.700 0.119 0.000 0.983 736 T CA 0.992 63.197 62.100 0.176 0.000 1.193 736 T CB -0.154 68.764 68.868 0.085 0.000 0.938 736 T HN 0.808 nan 8.240 nan 0.000 0.523 737 D N 1.603 122.065 120.400 0.105 0.000 2.911 737 D HA -0.107 4.532 4.640 -0.001 0.000 0.199 737 D C -0.091 176.358 176.300 0.248 0.000 1.041 737 D CA 1.075 55.106 54.000 0.052 0.000 1.013 737 D CB -0.650 40.025 40.800 -0.209 0.000 1.093 737 D HN 0.685 nan 8.370 nan 0.000 0.431 738 E N 0.968 121.322 120.200 0.257 0.000 2.266 738 E HA 0.385 4.734 4.350 -0.001 0.000 0.277 738 E C 0.563 177.355 176.600 0.320 0.000 1.018 738 E CA -0.310 56.258 56.400 0.280 0.000 0.840 738 E CB 1.392 31.242 29.700 0.250 0.000 1.082 738 E HN 0.351 nan 8.360 nan 0.000 0.395 739 D N -0.502 120.099 120.400 0.335 0.000 2.530 739 D HA 0.005 4.644 4.640 -0.001 0.000 0.282 739 D C 1.048 177.599 176.300 0.418 0.000 1.204 739 D CA -0.304 53.917 54.000 0.369 0.000 1.093 739 D CB -0.074 40.961 40.800 0.391 0.000 1.154 739 D HN 0.375 nan 8.370 nan 0.000 0.593 740 H N -1.595 117.671 119.070 0.326 0.000 2.518 740 H HA 0.007 4.562 4.556 -0.001 0.000 0.294 740 H C 1.793 177.380 175.328 0.433 0.000 1.083 740 H CA 1.960 58.226 56.048 0.363 0.000 1.264 740 H CB -0.369 29.584 29.762 0.319 0.000 1.370 740 H HN 0.499 nan 8.280 nan 0.000 0.560 741 G N -0.628 108.367 108.800 0.324 0.000 2.608 741 G HA2 0.045 4.004 3.960 -0.001 0.000 0.210 741 G HA3 0.045 4.004 3.960 -0.001 0.000 0.210 741 G C 0.683 175.778 174.900 0.326 0.000 1.139 741 G CA 0.301 45.520 45.100 0.198 0.000 0.812 741 G HN 0.486 nan 8.290 nan 0.000 0.529 742 I N 0.227 120.991 120.570 0.323 0.000 6.697 742 I HA -0.316 3.854 4.170 -0.001 0.000 0.126 742 I C 1.610 177.863 176.117 0.226 0.000 1.764 742 I CA 0.090 61.535 61.300 0.242 0.000 2.245 742 I CB -1.399 36.740 38.000 0.233 0.000 3.404 742 I HN 0.261 nan 8.210 nan 0.000 0.228 743 A N 0.708 123.630 122.820 0.170 0.000 2.220 743 A HA 0.211 4.530 4.320 -0.001 0.000 0.211 743 A C 1.316 178.944 177.584 0.073 0.000 1.176 743 A CA 0.698 52.793 52.037 0.096 0.000 0.834 743 A CB 0.080 19.105 19.000 0.041 0.000 0.868 743 A HN 0.695 nan 8.150 nan 0.000 0.488 744 S N -0.207 115.555 115.700 0.103 0.000 2.563 744 S HA 0.110 4.579 4.470 -0.001 0.000 0.284 744 S C 1.160 175.814 174.600 0.091 0.000 1.331 744 S CA 0.364 58.617 58.200 0.089 0.000 1.047 744 S CB 0.902 64.164 63.200 0.103 0.000 0.859 744 S HN 0.426 nan 8.310 nan 0.000 0.514 745 S N 2.470 118.210 115.700 0.067 0.000 2.380 745 S HA -0.233 4.236 4.470 -0.001 0.000 0.229 745 S C 2.196 176.858 174.600 0.103 0.000 1.050 745 S CA 2.619 60.862 58.200 0.072 0.000 1.100 745 S CB -1.604 61.622 63.200 0.044 0.000 0.984 745 S HN 1.101 nan 8.310 nan 0.000 0.434 746 T N -0.248 114.356 114.554 0.083 0.000 2.821 746 T HA 0.137 4.486 4.350 -0.001 0.000 0.267 746 T C 1.905 176.664 174.700 0.099 0.000 1.046 746 T CA 1.425 63.578 62.100 0.087 0.000 1.139 746 T CB -0.816 68.094 68.868 0.069 0.000 0.871 746 T HN 0.470 nan 8.240 nan 0.000 0.454 747 A N 1.314 124.173 122.820 0.065 0.000 1.898 747 A HA -0.048 4.271 4.320 -0.001 0.000 0.216 747 A C 2.195 179.739 177.584 -0.066 0.000 1.181 747 A CA 1.887 53.895 52.037 -0.049 0.000 0.620 747 A CB -1.177 17.777 19.000 -0.076 0.000 0.819 747 A HN 0.740 nan 8.150 nan 0.000 0.442 748 H N -0.105 118.952 119.070 -0.021 0.000 2.321 748 H HA -0.121 4.434 4.556 -0.001 0.000 0.300 748 H C 2.100 177.493 175.328 0.108 0.000 1.087 748 H CA 2.347 58.432 56.048 0.061 0.000 1.319 748 H CB -0.199 29.610 29.762 0.078 0.000 1.379 748 H HN 0.562 nan 8.280 nan 0.000 0.501 749 Q N -1.079 118.733 119.800 0.020 0.000 2.167 749 Q HA -0.163 4.176 4.340 -0.001 0.000 0.202 749 Q C 2.165 178.146 176.000 -0.032 0.000 0.970 749 Q CA 1.166 56.936 55.803 -0.055 0.000 0.855 749 Q CB -0.116 28.625 28.738 0.006 0.000 0.911 749 Q HN 0.624 nan 8.270 nan 0.000 0.438 750 H N 0.870 119.911 119.070 -0.048 0.000 2.326 750 H HA -0.070 4.486 4.556 -0.001 0.000 0.301 750 H C 1.968 177.283 175.328 -0.021 0.000 1.081 750 H CA 1.313 57.361 56.048 -0.000 0.000 1.334 750 H CB -0.006 29.794 29.762 0.063 0.000 1.385 750 H HN 0.282 nan 8.280 nan 0.000 0.504 751 I N 0.132 120.640 120.570 -0.102 0.000 2.493 751 I HA -0.279 3.891 4.170 -0.001 0.000 0.254 751 I C 1.452 177.314 176.117 -0.424 0.000 1.160 751 I CA 0.991 62.146 61.300 -0.241 0.000 1.445 751 I CB -0.199 37.455 38.000 -0.577 0.000 1.086 751 I HN 0.129 nan 8.210 nan 0.000 0.433 752 Y N 0.559 120.659 120.300 -0.333 0.000 2.420 752 Y HA -0.089 4.460 4.550 -0.002 0.000 0.292 752 Y C 2.635 178.362 175.900 -0.287 0.000 1.119 752 Y CA 1.358 59.156 58.100 -0.503 0.000 1.229 752 Y CB -0.552 37.609 38.460 -0.499 0.000 1.026 752 Y HN 0.087 nan 8.280 nan 0.000 0.554 753 T N -1.519 112.992 114.554 -0.071 0.000 2.777 753 T HA -0.218 4.131 4.350 -0.001 0.000 0.266 753 T C 1.549 176.239 174.700 -0.018 0.000 1.040 753 T CA 1.894 63.944 62.100 -0.083 0.000 1.141 753 T CB -0.414 68.392 68.868 -0.103 0.000 0.868 753 T HN 0.379 nan 8.240 nan 0.000 0.444 754 H N 0.764 119.778 119.070 -0.094 0.000 2.353 754 H HA 0.093 4.648 4.556 -0.001 0.000 0.300 754 H C 2.174 177.533 175.328 0.051 0.000 1.090 754 H CA 1.596 57.651 56.048 0.013 0.000 1.327 754 H CB -0.219 29.517 29.762 -0.043 0.000 1.383 754 H HN 0.265 nan 8.280 nan 0.000 0.508 755 M N -1.041 118.552 119.600 -0.011 0.000 2.132 755 M HA -0.155 4.324 4.480 -0.001 0.000 0.263 755 M C 2.487 178.941 176.300 0.256 0.000 1.065 755 M CA 1.446 56.733 55.300 -0.022 0.000 1.122 755 M CB 0.012 32.344 32.600 -0.447 0.000 1.365 755 M HN 0.159 nan 8.290 nan 0.000 0.411 756 S N -0.563 115.322 115.700 0.308 0.000 2.359 756 S HA -0.176 4.293 4.470 -0.001 0.000 0.224 756 S C 1.740 176.436 174.600 0.160 0.000 1.035 756 S CA 1.106 59.553 58.200 0.412 0.000 1.018 756 S CB -0.602 62.825 63.200 0.378 0.000 0.876 756 S HN 0.454 nan 8.310 nan 0.000 0.448 757 H N -0.330 118.815 119.070 0.125 0.000 2.319 757 H HA -0.076 4.479 4.556 -0.002 0.000 0.299 757 H C 2.011 177.351 175.328 0.020 0.000 1.092 757 H CA 1.464 57.533 56.048 0.036 0.000 1.302 757 H CB -0.751 28.976 29.762 -0.057 0.000 1.373 757 H HN 0.430 nan 8.280 nan 0.000 0.497 758 F N 1.359 121.315 119.950 0.011 0.000 2.095 758 F HA -0.222 4.305 4.527 -0.001 0.000 0.298 758 F C 2.376 178.132 175.800 -0.073 0.000 1.104 758 F CA 1.063 59.035 58.000 -0.047 0.000 1.232 758 F CB -0.328 38.634 39.000 -0.063 0.000 0.987 758 F HN -0.016 nan 8.300 nan 0.000 0.475 759 I N 0.548 121.116 120.570 -0.004 0.000 2.252 759 I HA -0.248 3.921 4.170 -0.001 0.000 0.245 759 I C 2.233 178.144 176.117 -0.344 0.000 1.102 759 I CA 1.295 62.412 61.300 -0.304 0.000 1.385 759 I CB -1.222 36.666 38.000 -0.187 0.000 1.064 759 I HN 0.197 nan 8.210 nan 0.000 0.414 760 K N 0.505 120.847 120.400 -0.097 0.000 2.026 760 K HA -0.231 4.088 4.320 -0.001 0.000 0.208 760 K C 1.944 178.525 176.600 -0.031 0.000 1.048 760 K CA 1.179 57.463 56.287 -0.005 0.000 0.929 760 K CB -0.563 31.977 32.500 0.066 0.000 0.713 760 K HN 0.437 nan 8.250 nan 0.000 0.439 761 Q N 1.287 121.036 119.800 -0.085 0.000 2.030 761 Q HA -0.224 4.115 4.340 -0.001 0.000 0.204 761 Q C 2.331 178.243 176.000 -0.148 0.000 0.986 761 Q CA 2.078 57.816 55.803 -0.108 0.000 0.843 761 Q CB -0.512 28.136 28.738 -0.150 0.000 0.904 761 Q HN 0.403 nan 8.270 nan 0.000 0.420 762 c N 0.047 118.456 118.600 -0.320 0.000 2.419 762 c HA -0.094 4.475 4.570 -0.001 0.000 0.281 762 c C 2.264 176.386 174.090 0.054 0.000 1.336 762 c CA 0.412 56.581 56.329 -0.268 0.000 1.770 762 c CB -1.241 40.948 42.510 -0.534 0.000 1.929 762 c HN 0.594 nan 8.230 nan 0.000 0.509 763 F N 0.837 120.748 119.950 -0.066 0.000 2.390 763 F HA 0.289 4.815 4.527 -0.001 0.000 0.281 763 F C 2.044 177.827 175.800 -0.028 0.000 1.016 763 F CA 0.321 58.301 58.000 -0.033 0.000 1.286 763 F CB -1.492 37.495 39.000 -0.021 0.000 1.134 763 F HN -0.001 nan 8.300 nan 0.000 0.597 764 S N 0.000 115.809 115.700 0.182 0.000 2.498 764 S HA 0.000 4.469 4.470 -0.001 0.000 0.327 764 S CA 0.000 58.254 58.200 0.089 0.000 1.107 764 S CB 0.000 63.240 63.200 0.067 0.000 0.593 764 S HN 0.000 nan 8.310 nan 0.000 0.517