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 1r9n_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 IKQcFSLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 39 S HA 0.000 nan 4.470 nan 0.000 0.327 39 S C 0.000 174.661 174.600 0.101 0.000 1.055 39 S CA 0.000 58.258 58.200 0.096 0.000 1.107 39 S CB 0.000 63.279 63.200 0.131 0.000 0.593 40 R N 0.470 121.026 120.500 0.093 0.000 2.834 40 R HA 0.192 4.302 4.340 -0.383 0.000 0.129 40 R C -0.453 175.902 176.300 0.091 0.000 0.870 40 R CA -0.199 55.954 56.100 0.087 0.000 1.989 40 R CB 0.110 30.450 30.300 0.065 0.000 1.647 40 R HN 0.326 nan 8.270 nan 0.000 0.512 41 K N 2.080 122.536 120.400 0.093 0.000 2.382 41 K HA 0.067 4.157 4.320 -0.383 0.000 0.275 41 K C 0.092 176.760 176.600 0.113 0.000 1.009 41 K CA 0.584 56.935 56.287 0.106 0.000 0.970 41 K CB 1.222 33.797 32.500 0.125 0.000 0.934 41 K HN 0.188 nan 8.250 nan 0.000 0.479 42 T N -1.001 113.628 114.554 0.126 0.000 2.923 42 T HA 0.222 4.342 4.350 -0.383 0.000 0.281 42 T C -0.358 174.460 174.700 0.197 0.000 0.995 42 T CA -0.732 61.455 62.100 0.146 0.000 0.985 42 T CB 0.664 69.618 68.868 0.143 0.000 1.114 42 T HN 0.431 nan 8.240 nan 0.000 0.548 43 Y N 2.389 122.739 120.300 0.083 0.000 2.452 43 Y HA 0.404 4.726 4.550 -0.380 0.000 0.348 43 Y C 0.869 176.914 175.900 0.242 0.000 0.985 43 Y CA -0.331 57.845 58.100 0.127 0.000 1.214 43 Y CB 0.058 38.550 38.460 0.053 0.000 1.136 43 Y HN 1.030 nan 8.280 nan 0.000 0.523 44 T N 2.656 117.174 114.554 -0.059 0.000 2.897 44 T HA 0.158 4.278 4.350 -0.383 0.000 0.278 44 T C 0.909 175.486 174.700 -0.205 0.000 0.981 44 T CA -0.750 61.361 62.100 0.019 0.000 0.973 44 T CB 1.271 70.135 68.868 -0.006 0.000 1.092 44 T HN 0.692 nan 8.240 nan 0.000 0.543 45 L N 1.051 121.972 121.223 -0.503 0.000 2.046 45 L HA 0.019 4.129 4.340 -0.383 0.000 0.208 45 L C 2.655 179.376 176.870 -0.248 0.000 1.077 45 L CA 2.199 56.651 54.840 -0.646 0.000 0.747 45 L CB -1.571 39.987 42.059 -0.834 0.000 0.896 45 L HN 0.968 nan 8.230 nan 0.000 0.432 46 T N -0.261 114.173 114.554 -0.200 0.000 2.665 46 T HA -0.199 3.921 4.350 -0.383 0.000 0.268 46 T C 1.486 176.099 174.700 -0.145 0.000 1.035 46 T CA 1.618 63.636 62.100 -0.137 0.000 1.151 46 T CB -0.418 68.393 68.868 -0.095 0.000 0.862 46 T HN 0.423 nan 8.240 nan 0.000 0.438 47 D N 0.028 120.312 120.400 -0.194 0.000 2.116 47 D HA -0.119 4.291 4.640 -0.383 0.000 0.193 47 D C 1.728 177.916 176.300 -0.186 0.000 0.998 47 D CA 1.201 55.057 54.000 -0.239 0.000 0.836 47 D CB -0.491 40.050 40.800 -0.432 0.000 0.951 47 D HN 0.470 nan 8.370 nan 0.000 0.449 48 Y N 1.160 121.256 120.300 -0.339 0.000 2.200 48 Y HA -0.091 4.230 4.550 -0.382 0.000 0.290 48 Y C 2.146 178.059 175.900 0.022 0.000 1.137 48 Y CA 1.221 59.317 58.100 -0.006 0.000 1.163 48 Y CB -0.475 38.061 38.460 0.126 0.000 0.988 48 Y HN -0.070 nan 8.280 nan 0.000 0.518 49 L N -0.166 120.870 121.223 -0.311 0.000 2.095 49 L HA -0.118 3.992 4.340 -0.383 0.000 0.204 49 L C 2.104 178.859 176.870 -0.191 0.000 1.080 49 L CA 1.125 55.757 54.840 -0.346 0.000 0.759 49 L CB -0.398 41.542 42.059 -0.197 0.000 0.914 49 L HN 0.032 nan 8.230 nan 0.000 0.439 50 K N -0.424 119.895 120.400 -0.134 0.000 2.426 50 K HA 0.037 4.127 4.320 -0.383 0.000 0.193 50 K C 0.241 176.792 176.600 -0.082 0.000 1.028 50 K CA 0.043 56.274 56.287 -0.093 0.000 1.047 50 K CB -0.200 32.252 32.500 -0.081 0.000 0.821 50 K HN 0.229 nan 8.250 nan 0.000 0.513 51 N N 1.332 119.989 118.700 -0.071 0.000 2.814 51 N HA -0.128 4.382 4.740 -0.383 0.000 0.247 51 N C 0.133 175.628 175.510 -0.025 0.000 1.089 51 N CA 0.754 53.798 53.050 -0.011 0.000 0.682 51 N CB -0.994 37.478 38.487 -0.024 0.000 0.970 51 N HN 0.163 nan 8.380 nan 0.000 0.554 52 T N -1.040 113.466 114.554 -0.080 0.000 2.708 52 T HA -0.146 3.974 4.350 -0.383 0.000 0.266 52 T C 0.580 175.050 174.700 -0.384 0.000 1.037 52 T CA 1.384 63.301 62.100 -0.305 0.000 1.146 52 T CB -0.099 68.455 68.868 -0.524 0.000 0.865 52 T HN 0.356 nan 8.240 nan 0.000 0.435 53 Y N 1.567 121.958 120.300 0.152 0.000 2.491 53 Y HA 0.506 4.827 4.550 -0.382 0.000 0.334 53 Y C 0.480 176.483 175.900 0.171 0.000 0.969 53 Y CA -1.097 57.111 58.100 0.182 0.000 1.241 53 Y CB 0.497 39.120 38.460 0.272 0.000 1.105 53 Y HN -0.095 nan 8.280 nan 0.000 0.503 54 R N 2.277 122.904 120.500 0.212 0.000 2.457 54 R HA 0.498 4.608 4.340 -0.383 0.000 0.284 54 R C -1.321 175.085 176.300 0.178 0.000 1.024 54 R CA -0.946 55.251 56.100 0.161 0.000 1.025 54 R CB 0.735 31.087 30.300 0.088 0.000 1.063 54 R HN 0.539 nan 8.270 nan 0.000 0.493 55 L N 4.255 125.580 121.223 0.169 0.000 2.255 55 L HA 0.300 4.410 4.340 -0.383 0.000 0.289 55 L C -0.473 176.477 176.870 0.134 0.000 1.046 55 L CA 0.117 55.064 54.840 0.178 0.000 0.816 55 L CB 1.061 43.244 42.059 0.207 0.000 1.197 55 L HN 0.479 nan 8.230 nan 0.000 0.427 56 K N 4.050 124.522 120.400 0.121 0.000 2.322 56 K HA 0.358 4.448 4.320 -0.383 0.000 0.283 56 K C -0.601 176.026 176.600 0.045 0.000 1.042 56 K CA -0.592 55.738 56.287 0.073 0.000 0.958 56 K CB 1.031 33.569 32.500 0.064 0.000 0.984 56 K HN 0.312 nan 8.250 nan 0.000 0.473 57 L N 2.070 123.254 121.223 -0.065 0.000 2.397 57 L HA 0.362 4.472 4.340 -0.383 0.000 0.266 57 L C -0.751 175.818 176.870 -0.501 0.000 1.040 57 L CA -0.402 54.267 54.840 -0.285 0.000 0.800 57 L CB 0.301 42.301 42.059 -0.098 0.000 1.324 57 L HN 0.474 nan 8.230 nan 0.000 0.469 58 Y N 0.230 119.960 120.300 -0.951 0.000 2.517 58 Y HA 0.354 4.674 4.550 -0.383 0.000 0.346 58 Y C -0.403 175.387 175.900 -0.182 0.000 1.113 58 Y CA -0.525 57.300 58.100 -0.459 0.000 1.295 58 Y CB 1.236 39.313 38.460 -0.638 0.000 1.094 58 Y HN 0.449 nan 8.280 nan 0.000 0.608 59 S N 5.967 121.661 115.700 -0.011 0.000 2.430 59 S HA 0.671 4.912 4.470 -0.383 0.000 0.289 59 S C -0.806 173.818 174.600 0.040 0.000 1.143 59 S CA -0.507 57.702 58.200 0.015 0.000 1.067 59 S CB -0.344 62.836 63.200 -0.032 0.000 0.964 59 S HN 0.584 nan 8.310 nan 0.000 0.485 60 L N 3.221 124.443 121.223 -0.002 0.000 2.319 60 L HA 0.848 4.958 4.340 -0.383 0.000 0.267 60 L C -0.534 176.294 176.870 -0.069 0.000 1.011 60 L CA -0.972 53.828 54.840 -0.067 0.000 0.818 60 L CB 1.483 43.230 42.059 -0.519 0.000 1.316 60 L HN 0.656 nan 8.230 nan 0.000 0.432 61 R N 0.546 121.048 120.500 0.003 0.000 2.435 61 R HA 0.441 4.552 4.340 -0.383 0.000 0.308 61 R C -1.829 174.536 176.300 0.109 0.000 0.975 61 R CA -0.541 55.593 56.100 0.057 0.000 0.867 61 R CB 0.485 30.852 30.300 0.113 0.000 1.171 61 R HN 0.698 nan 8.270 nan 0.000 0.470 62 W N 4.197 125.609 121.300 0.188 0.000 2.347 62 W HA 0.072 4.500 4.660 -0.385 0.000 0.333 62 W C 1.589 178.196 176.519 0.146 0.000 1.383 62 W CA -0.493 56.968 57.345 0.195 0.000 1.283 62 W CB 0.405 29.965 29.460 0.167 0.000 1.253 62 W HN 0.708 nan 8.180 nan 0.000 0.563 63 I N 0.348 121.134 120.570 0.360 0.000 3.645 63 I HA 0.163 4.104 4.170 -0.383 0.000 0.300 63 I C 0.918 177.157 176.117 0.203 0.000 1.260 63 I CA 0.188 61.614 61.300 0.210 0.000 1.365 63 I CB -0.120 37.933 38.000 0.088 0.000 1.077 63 I HN 0.252 nan 8.210 nan 0.000 0.439 64 S N -0.509 115.349 115.700 0.263 0.000 2.973 64 S HA 0.333 4.573 4.470 -0.383 0.000 0.317 64 S C 0.117 174.763 174.600 0.077 0.000 1.196 64 S CA -0.192 58.101 58.200 0.154 0.000 0.894 64 S CB 1.272 64.570 63.200 0.163 0.000 1.292 64 S HN 0.074 nan 8.310 nan 0.000 0.614 65 D N -0.730 119.564 120.400 -0.177 0.000 2.333 65 D HA 0.150 4.560 4.640 -0.383 0.000 0.208 65 D C 1.141 177.300 176.300 -0.235 0.000 0.984 65 D CA 0.948 54.742 54.000 -0.343 0.000 0.873 65 D CB -0.001 40.495 40.800 -0.508 0.000 0.935 65 D HN 0.594 nan 8.370 nan 0.000 0.521 66 H N -1.102 118.125 119.070 0.263 0.000 2.855 66 H HA 0.377 4.703 4.556 -0.383 0.000 0.259 66 H C 0.160 175.648 175.328 0.267 0.000 0.972 66 H CA 0.101 56.307 56.048 0.263 0.000 1.213 66 H CB 1.020 30.906 29.762 0.207 0.000 1.451 66 H HN 0.128 nan 8.280 nan 0.000 0.484 67 E N 0.585 121.048 120.200 0.439 0.000 2.312 67 E HA 0.405 4.525 4.350 -0.383 0.000 0.267 67 E C -1.429 175.420 176.600 0.416 0.000 0.894 67 E CA -0.987 55.605 56.400 0.320 0.000 0.773 67 E CB 2.990 32.807 29.700 0.194 0.000 1.241 67 E HN 0.139 nan 8.360 nan 0.000 0.432 68 Y N -0.563 119.801 120.300 0.107 0.000 2.562 68 Y HA 0.610 4.931 4.550 -0.381 0.000 0.345 68 Y C -1.678 174.227 175.900 0.008 0.000 1.045 68 Y CA -1.299 56.763 58.100 -0.064 0.000 1.028 68 Y CB 0.816 38.924 38.460 -0.586 0.000 1.297 68 Y HN 0.319 nan 8.280 nan 0.000 0.463 69 L N 3.393 124.728 121.223 0.186 0.000 2.325 69 L HA 0.480 4.590 4.340 -0.383 0.000 0.279 69 L C -1.159 175.911 176.870 0.335 0.000 1.054 69 L CA -0.865 54.058 54.840 0.137 0.000 0.804 69 L CB 1.363 43.430 42.059 0.013 0.000 1.200 69 L HN 0.786 nan 8.230 nan 0.000 0.436 70 Y N 1.862 122.249 120.300 0.145 0.000 2.553 70 Y HA 0.388 4.708 4.550 -0.384 0.000 0.347 70 Y C -0.997 174.926 175.900 0.039 0.000 1.019 70 Y CA -1.578 56.574 58.100 0.087 0.000 1.032 70 Y CB 1.645 40.178 38.460 0.121 0.000 1.284 70 Y HN 0.437 nan 8.280 nan 0.000 0.466 71 K N 3.088 123.088 120.400 -0.667 0.000 2.268 71 K HA 0.370 4.460 4.320 -0.383 0.000 0.276 71 K C -0.004 176.327 176.600 -0.448 0.000 1.080 71 K CA -0.642 55.379 56.287 -0.443 0.000 0.910 71 K CB 1.704 33.993 32.500 -0.352 0.000 1.163 71 K HN 0.625 nan 8.250 nan 0.000 0.465 72 Q N 2.495 122.256 119.800 -0.065 0.000 1.224 72 Q HA -0.002 4.109 4.340 -0.383 0.000 0.719 72 Q C -0.204 175.796 176.000 0.001 0.000 0.890 72 Q CA 1.135 56.988 55.803 0.083 0.000 0.894 72 Q CB 0.122 28.938 28.738 0.131 0.000 1.169 72 Q HN 0.745 nan 8.270 nan 0.000 0.295 73 E N 0.132 120.336 120.200 0.007 0.000 2.989 73 E HA 0.167 4.287 4.350 -0.383 0.000 0.224 73 E C -0.941 175.645 176.600 -0.024 0.000 1.175 73 E CA 0.536 56.931 56.400 -0.008 0.000 1.300 73 E CB -0.976 28.728 29.700 0.007 0.000 1.422 73 E HN 0.685 nan 8.360 nan 0.000 0.439 74 N N 0.056 118.731 118.700 -0.042 0.000 2.972 74 N HA -0.210 4.301 4.740 -0.383 0.000 0.225 74 N C -0.516 174.968 175.510 -0.042 0.000 0.883 74 N CA 0.510 53.536 53.050 -0.041 0.000 1.010 74 N CB -1.174 37.298 38.487 -0.025 0.000 1.052 74 N HN 0.191 nan 8.380 nan 0.000 0.598 75 N N 1.015 119.690 118.700 -0.042 0.000 2.483 75 N HA 0.401 4.911 4.740 -0.383 0.000 0.269 75 N C -0.251 175.225 175.510 -0.057 0.000 1.209 75 N CA 0.043 53.065 53.050 -0.046 0.000 0.969 75 N CB 0.796 39.262 38.487 -0.035 0.000 1.173 75 N HN 0.247 nan 8.380 nan 0.000 0.475 76 I N 2.417 122.950 120.570 -0.062 0.000 2.307 76 I HA 0.147 4.088 4.170 -0.383 0.000 0.289 76 I C -0.466 175.659 176.117 0.013 0.000 1.021 76 I CA -0.619 60.638 61.300 -0.072 0.000 1.224 76 I CB 0.720 38.612 38.000 -0.180 0.000 1.376 76 I HN 0.109 nan 8.210 nan 0.000 0.470 77 L N 7.236 128.487 121.223 0.046 0.000 2.343 77 L HA 0.449 4.559 4.340 -0.383 0.000 0.275 77 L C -0.122 176.764 176.870 0.026 0.000 1.056 77 L CA -0.340 54.517 54.840 0.028 0.000 0.804 77 L CB 1.718 43.801 42.059 0.041 0.000 1.203 77 L HN 0.268 nan 8.230 nan 0.000 0.440 78 V N 3.751 123.625 119.914 -0.066 0.000 2.435 78 V HA 0.523 4.414 4.120 -0.383 0.000 0.290 78 V C -0.878 175.041 176.094 -0.292 0.000 1.030 78 V CA -0.313 61.925 62.300 -0.103 0.000 0.881 78 V CB 1.158 32.984 31.823 0.007 0.000 0.983 78 V HN 0.502 nan 8.190 nan 0.000 0.445 79 F N 4.927 124.620 119.950 -0.429 0.000 2.480 79 F HA 0.494 4.793 4.527 -0.381 0.000 0.329 79 F C 0.474 176.028 175.800 -0.410 0.000 1.091 79 F CA -0.549 57.131 58.000 -0.533 0.000 0.972 79 F CB 1.700 40.066 39.000 -1.056 0.000 1.150 79 F HN 0.459 nan 8.300 nan 0.000 0.467 80 N N 1.986 120.675 118.700 -0.018 0.000 2.408 80 N HA 0.240 4.750 4.740 -0.383 0.000 0.257 80 N C 0.574 176.097 175.510 0.021 0.000 1.064 80 N CA 0.170 53.252 53.050 0.054 0.000 0.952 80 N CB 1.732 40.320 38.487 0.168 0.000 1.093 80 N HN 0.826 nan 8.380 nan 0.000 0.490 81 A N 3.897 126.683 122.820 -0.056 0.000 1.908 81 A HA -0.172 3.918 4.320 -0.383 0.000 0.218 81 A C 1.885 179.235 177.584 -0.390 0.000 1.181 81 A CA 1.227 53.103 52.037 -0.267 0.000 0.627 81 A CB -0.368 18.200 19.000 -0.721 0.000 0.818 81 A HN 0.704 nan 8.150 nan 0.000 0.445 82 E N -0.642 119.328 120.200 -0.384 0.000 2.038 82 E HA -0.182 3.938 4.350 -0.383 0.000 0.195 82 E C 1.605 177.958 176.600 -0.412 0.000 1.000 82 E CA 1.817 57.982 56.400 -0.391 0.000 0.803 82 E CB -0.365 28.883 29.700 -0.754 0.000 0.750 82 E HN 0.783 nan 8.360 nan 0.000 0.448 83 Y N -2.265 118.057 120.300 0.036 0.000 2.498 83 Y HA 0.331 4.651 4.550 -0.382 0.000 0.259 83 Y C 1.698 177.620 175.900 0.036 0.000 1.086 83 Y CA 0.402 58.521 58.100 0.032 0.000 1.287 83 Y CB 0.429 38.903 38.460 0.022 0.000 1.146 83 Y HN 0.172 nan 8.280 nan 0.000 0.523 84 G N 1.006 109.914 108.800 0.179 0.000 2.179 84 G HA2 -0.328 3.403 3.960 -0.383 0.000 0.260 84 G HA3 -0.328 3.403 3.960 -0.383 0.000 0.260 84 G C 0.006 175.049 174.900 0.238 0.000 0.977 84 G CA 0.182 45.405 45.100 0.206 0.000 0.641 84 G HN 0.475 nan 8.290 nan 0.000 0.533 85 N N 0.716 119.501 118.700 0.141 0.000 2.508 85 N HA 0.499 5.009 4.740 -0.383 0.000 0.264 85 N C 0.062 175.457 175.510 -0.192 0.000 1.216 85 N CA 0.730 53.779 53.050 -0.002 0.000 0.943 85 N CB 1.384 39.862 38.487 -0.016 0.000 1.113 85 N HN 0.951 nan 8.380 nan 0.000 0.447 86 S N -0.676 114.796 115.700 -0.380 0.000 2.599 86 S HA 0.783 5.023 4.470 -0.383 0.000 0.287 86 S C -0.741 173.641 174.600 -0.363 0.000 1.105 86 S CA -0.833 56.971 58.200 -0.661 0.000 0.899 86 S CB 1.325 63.635 63.200 -1.483 0.000 1.100 86 S HN 0.943 nan 8.310 nan 0.000 0.482 87 S N -0.167 115.350 115.700 -0.306 0.000 2.588 87 S HA 0.656 4.896 4.470 -0.383 0.000 0.275 87 S C -0.894 173.625 174.600 -0.136 0.000 1.130 87 S CA -0.929 57.165 58.200 -0.177 0.000 0.855 87 S CB 0.871 64.002 63.200 -0.116 0.000 1.116 87 S HN 0.923 nan 8.310 nan 0.000 0.472 88 V N 3.030 122.885 119.914 -0.099 0.000 2.421 88 V HA 0.174 4.065 4.120 -0.383 0.000 0.271 88 V C 0.758 176.832 176.094 -0.032 0.000 1.031 88 V CA -0.039 62.221 62.300 -0.065 0.000 1.032 88 V CB -0.634 31.140 31.823 -0.083 0.000 1.009 88 V HN 0.917 nan 8.190 nan 0.000 0.477 89 F N 5.291 125.163 119.950 -0.129 0.000 2.234 89 F HA 0.290 4.588 4.527 -0.382 0.000 0.296 89 F C 0.571 176.292 175.800 -0.132 0.000 1.089 89 F CA 0.937 58.866 58.000 -0.117 0.000 1.343 89 F CB 0.514 39.449 39.000 -0.108 0.000 1.040 89 F HN 0.366 nan 8.300 nan 0.000 0.498 90 L N 1.091 122.307 121.223 -0.012 0.000 2.580 90 L HA 0.292 4.402 4.340 -0.383 0.000 0.266 90 L C -1.170 175.624 176.870 -0.127 0.000 0.955 90 L CA -0.575 54.190 54.840 -0.124 0.000 0.886 90 L CB 1.552 43.586 42.059 -0.043 0.000 1.263 90 L HN -0.104 nan 8.230 nan 0.000 0.406 91 E N 2.041 122.128 120.200 -0.189 0.000 2.373 91 E HA 0.160 4.281 4.350 -0.383 0.000 0.267 91 E C 0.927 177.432 176.600 -0.158 0.000 1.032 91 E CA -0.075 56.228 56.400 -0.162 0.000 0.889 91 E CB 0.443 30.037 29.700 -0.177 0.000 0.984 91 E HN 0.575 nan 8.360 nan 0.000 0.425 92 N N 1.625 120.265 118.700 -0.099 0.000 2.060 92 N HA -0.282 4.228 4.740 -0.383 0.000 0.195 92 N C 1.084 176.553 175.510 -0.069 0.000 1.028 92 N CA 2.049 55.062 53.050 -0.061 0.000 0.861 92 N CB -0.764 37.697 38.487 -0.043 0.000 1.029 92 N HN 0.422 nan 8.380 nan 0.000 0.428 93 S N -2.271 113.365 115.700 -0.106 0.000 2.593 93 S HA 0.110 4.350 4.470 -0.383 0.000 0.217 93 S C 1.333 175.818 174.600 -0.192 0.000 0.966 93 S CA 0.201 58.340 58.200 -0.102 0.000 0.914 93 S CB -0.744 62.407 63.200 -0.081 0.000 0.776 93 S HN 0.330 nan 8.310 nan 0.000 0.523 94 T N 1.689 116.021 114.554 -0.368 0.000 2.822 94 T HA -0.056 4.064 4.350 -0.383 0.000 0.270 94 T C 0.246 174.467 174.700 -0.798 0.000 1.064 94 T CA 1.295 62.976 62.100 -0.697 0.000 1.131 94 T CB -0.494 67.679 68.868 -1.159 0.000 0.858 94 T HN 0.621 nan 8.240 nan 0.000 0.483 95 F N 1.034 120.909 119.950 -0.126 0.000 2.805 95 F HA 0.280 4.577 4.527 -0.383 0.000 0.317 95 F C 0.909 176.720 175.800 0.018 0.000 1.146 95 F CA -1.571 56.379 58.000 -0.084 0.000 1.265 95 F CB -0.064 38.807 39.000 -0.215 0.000 0.992 95 F HN 0.092 nan 8.300 nan 0.000 0.511 96 D N -1.102 119.353 120.400 0.092 0.000 2.363 96 D HA -0.086 4.325 4.640 -0.383 0.000 0.226 96 D C 1.029 177.372 176.300 0.072 0.000 1.020 96 D CA 0.816 54.861 54.000 0.076 0.000 0.892 96 D CB 0.013 40.826 40.800 0.022 0.000 0.900 96 D HN 0.146 nan 8.370 nan 0.000 0.531 97 E N -1.025 119.236 120.200 0.101 0.000 2.693 97 E HA 0.076 4.196 4.350 -0.383 0.000 0.214 97 E C 0.377 177.057 176.600 0.135 0.000 0.990 97 E CA -0.377 56.070 56.400 0.078 0.000 1.047 97 E CB -0.109 29.619 29.700 0.046 0.000 1.039 97 E HN 0.209 nan 8.360 nan 0.000 0.475 98 F N 1.549 121.507 119.950 0.012 0.000 2.134 98 F HA -0.083 4.214 4.527 -0.383 0.000 0.299 98 F C 1.775 177.439 175.800 -0.227 0.000 1.097 98 F CA 2.207 60.185 58.000 -0.036 0.000 1.264 98 F CB -0.028 38.971 39.000 -0.001 0.000 1.001 98 F HN 0.241 nan 8.300 nan 0.000 0.479 99 G N -1.561 107.070 108.800 -0.282 0.000 2.284 99 G HA2 -0.241 3.489 3.960 -0.383 0.000 0.230 99 G HA3 -0.241 3.489 3.960 -0.383 0.000 0.230 99 G C 0.333 174.872 174.900 -0.601 0.000 1.021 99 G CA 0.291 45.089 45.100 -0.505 0.000 0.619 99 G HN 0.559 nan 8.290 nan 0.000 0.510 100 H N 0.427 119.170 119.070 -0.545 0.000 2.499 100 H HA 0.677 5.004 4.556 -0.383 0.000 0.340 100 H C -0.241 175.049 175.328 -0.063 0.000 1.148 100 H CA 0.042 55.836 56.048 -0.423 0.000 1.215 100 H CB 1.641 30.853 29.762 -0.916 0.000 1.529 100 H HN 0.155 nan 8.280 nan 0.000 0.510 101 S N 2.631 118.425 115.700 0.158 0.000 2.448 101 S HA 0.120 4.360 4.470 -0.383 0.000 0.279 101 S C 0.364 175.086 174.600 0.202 0.000 1.195 101 S CA -0.761 57.534 58.200 0.159 0.000 1.051 101 S CB -0.309 62.953 63.200 0.104 0.000 0.948 101 S HN 0.455 nan 8.310 nan 0.000 0.493 102 I N 5.443 126.121 120.570 0.180 0.000 2.379 102 I HA 0.179 4.119 4.170 -0.383 0.000 0.290 102 I C 0.874 177.031 176.117 0.067 0.000 1.063 102 I CA 0.116 61.492 61.300 0.128 0.000 1.351 102 I CB 0.490 38.464 38.000 -0.044 0.000 1.410 102 I HN 0.850 nan 8.210 nan 0.000 0.505 103 N N 5.830 124.565 118.700 0.058 0.000 2.290 103 N HA -0.021 4.489 4.740 -0.383 0.000 0.179 103 N C -0.232 175.246 175.510 -0.053 0.000 1.016 103 N CA 0.880 53.908 53.050 -0.036 0.000 0.871 103 N CB 0.330 38.764 38.487 -0.088 0.000 0.987 103 N HN 0.733 nan 8.380 nan 0.000 0.431 104 D N -2.282 118.118 120.400 -0.001 0.000 2.599 104 D HA 0.188 4.598 4.640 -0.383 0.000 0.252 104 D C -1.665 174.699 176.300 0.107 0.000 1.232 104 D CA -0.600 53.415 54.000 0.024 0.000 0.819 104 D CB 0.968 41.750 40.800 -0.030 0.000 1.401 104 D HN 0.132 nan 8.370 nan 0.000 0.429 105 Y N -0.510 119.816 120.300 0.043 0.000 2.468 105 Y HA 0.760 5.081 4.550 -0.383 0.000 0.342 105 Y C -1.016 174.974 175.900 0.151 0.000 1.021 105 Y CA -0.874 57.275 58.100 0.082 0.000 1.079 105 Y CB 1.920 40.416 38.460 0.060 0.000 1.226 105 Y HN 0.124 nan 8.280 nan 0.000 0.460 106 S N 5.760 121.569 115.700 0.181 0.000 2.736 106 S HA 0.502 4.742 4.470 -0.383 0.000 0.285 106 S C -1.788 173.148 174.600 0.560 0.000 1.163 106 S CA -0.741 57.581 58.200 0.204 0.000 1.025 106 S CB 0.583 63.926 63.200 0.239 0.000 1.030 106 S HN 0.837 nan 8.310 nan 0.000 0.486 107 I N 5.298 126.105 120.570 0.394 0.000 2.377 107 I HA 0.478 4.418 4.170 -0.383 0.000 0.293 107 I C 0.408 176.365 176.117 -0.267 0.000 0.987 107 I CA -0.350 61.080 61.300 0.215 0.000 1.185 107 I CB 1.694 39.871 38.000 0.296 0.000 1.341 107 I HN 0.868 nan 8.210 nan 0.000 0.455 108 S N 7.684 122.853 115.700 -0.884 0.000 2.563 108 S HA 0.187 4.427 4.470 -0.383 0.000 0.284 108 S C -1.876 172.463 174.600 -0.434 0.000 1.331 108 S CA -0.776 56.648 58.200 -1.294 0.000 1.047 108 S CB 0.484 62.832 63.200 -1.421 0.000 0.859 108 S HN 0.541 nan 8.310 nan 0.000 0.514 109 P HA -0.172 nan 4.420 nan 0.000 0.216 109 P C 1.061 178.334 177.300 -0.045 0.000 1.153 109 P CA 1.683 64.733 63.100 -0.085 0.000 0.858 109 P CB -0.125 31.543 31.700 -0.053 0.000 0.789 110 D N -1.652 118.719 120.400 -0.049 0.000 2.269 110 D HA -0.012 4.398 4.640 -0.383 0.000 0.208 110 D C 1.461 177.766 176.300 0.009 0.000 0.963 110 D CA 1.267 55.271 54.000 0.006 0.000 0.864 110 D CB -1.121 39.711 40.800 0.054 0.000 0.936 110 D HN 0.255 nan 8.370 nan 0.000 0.505 111 G N -0.099 108.686 108.800 -0.026 0.000 2.141 111 G HA2 -0.335 3.395 3.960 -0.383 0.000 0.231 111 G HA3 -0.335 3.395 3.960 -0.383 0.000 0.231 111 G C 0.912 175.802 174.900 -0.017 0.000 0.984 111 G CA 0.402 45.522 45.100 0.033 0.000 0.660 111 G HN 0.446 nan 8.290 nan 0.000 0.525 112 Q N -1.460 118.265 119.800 -0.124 0.000 2.302 112 Q HA 0.357 4.467 4.340 -0.383 0.000 0.202 112 Q C 0.246 175.827 176.000 -0.698 0.000 0.936 112 Q CA 0.711 56.277 55.803 -0.395 0.000 0.886 112 Q CB 0.379 28.843 28.738 -0.457 0.000 0.986 112 Q HN 0.566 nan 8.270 nan 0.000 0.487 113 F N -0.534 119.349 119.950 -0.111 0.000 2.588 113 F HA 0.515 4.812 4.527 -0.383 0.000 0.314 113 F C -0.554 175.270 175.800 0.039 0.000 1.069 113 F CA -1.163 56.825 58.000 -0.021 0.000 0.931 113 F CB 1.766 40.763 39.000 -0.004 0.000 1.260 113 F HN -0.205 nan 8.300 nan 0.000 0.465 114 I N 2.517 123.373 120.570 0.476 0.000 2.545 114 I HA 0.534 4.475 4.170 -0.383 0.000 0.292 114 I C -1.831 174.641 176.117 0.592 0.000 1.040 114 I CA -1.061 60.540 61.300 0.503 0.000 1.068 114 I CB 1.683 39.932 38.000 0.415 0.000 1.251 114 I HN 0.525 nan 8.210 nan 0.000 0.424 115 L N 7.947 129.559 121.223 0.648 0.000 2.264 115 L HA 0.500 4.610 4.340 -0.383 0.000 0.289 115 L C -1.138 175.915 176.870 0.304 0.000 1.044 115 L CA -0.123 54.983 54.840 0.443 0.000 0.807 115 L CB 1.101 43.353 42.059 0.322 0.000 1.192 115 L HN 0.474 nan 8.230 nan 0.000 0.425 116 L N 4.863 126.208 121.223 0.204 0.000 2.282 116 L HA 0.503 4.613 4.340 -0.383 0.000 0.288 116 L C -0.088 176.910 176.870 0.213 0.000 1.033 116 L CA -0.439 54.452 54.840 0.085 0.000 0.807 116 L CB 1.500 43.405 42.059 -0.256 0.000 1.209 116 L HN 0.605 nan 8.230 nan 0.000 0.423 117 E N 3.912 124.190 120.200 0.129 0.000 2.151 117 E HA 0.459 4.579 4.350 -0.383 0.000 0.275 117 E C -1.636 175.002 176.600 0.062 0.000 0.936 117 E CA -0.513 55.828 56.400 -0.097 0.000 0.777 117 E CB 1.234 30.898 29.700 -0.059 0.000 1.108 117 E HN 0.456 nan 8.360 nan 0.000 0.401 118 Y N 1.499 121.667 120.300 -0.220 0.000 2.728 118 Y HA 0.441 4.761 4.550 -0.383 0.000 0.330 118 Y C -0.252 175.569 175.900 -0.133 0.000 1.234 118 Y CA -1.655 56.388 58.100 -0.094 0.000 1.070 118 Y CB 0.412 38.877 38.460 0.009 0.000 1.300 118 Y HN 0.496 nan 8.280 nan 0.000 0.467 119 N N -0.105 118.579 118.700 -0.028 0.000 2.725 119 N HA -0.300 4.210 4.740 -0.383 0.000 0.251 119 N C -1.107 174.366 175.510 -0.062 0.000 1.031 119 N CA 1.012 54.003 53.050 -0.098 0.000 0.720 119 N CB -1.422 36.910 38.487 -0.259 0.000 0.930 119 N HN 0.841 nan 8.380 nan 0.000 0.543 120 Y N 0.157 120.397 120.300 -0.101 0.000 2.544 120 Y HA 0.288 4.608 4.550 -0.383 0.000 0.330 120 Y C 0.045 175.920 175.900 -0.041 0.000 1.136 120 Y CA -0.070 57.980 58.100 -0.084 0.000 1.417 120 Y CB 0.742 39.117 38.460 -0.141 0.000 1.229 120 Y HN 0.013 nan 8.280 nan 0.000 0.532 121 V N 7.973 127.546 119.914 -0.568 0.000 2.447 121 V HA 0.203 4.093 4.120 -0.383 0.000 0.292 121 V C -0.282 175.426 176.094 -0.644 0.000 1.021 121 V CA -1.454 60.557 62.300 -0.482 0.000 0.850 121 V CB 1.268 32.955 31.823 -0.228 0.000 1.005 121 V HN 0.740 nan 8.190 nan 0.000 0.426 122 K N 3.664 123.683 120.400 -0.635 0.000 2.436 122 K HA 0.164 4.254 4.320 -0.383 0.000 0.275 122 K C 0.474 176.904 176.600 -0.283 0.000 0.999 122 K CA 0.303 56.380 56.287 -0.350 0.000 0.980 122 K CB 1.079 33.544 32.500 -0.058 0.000 0.919 122 K HN 0.820 nan 8.250 nan 0.000 0.484 123 Q N 3.001 122.616 119.800 -0.308 0.000 2.429 123 Q HA 0.155 4.265 4.340 -0.383 0.000 0.230 123 Q C 0.015 175.757 176.000 -0.430 0.000 0.970 123 Q CA -0.231 55.194 55.803 -0.629 0.000 0.778 123 Q CB 0.079 28.273 28.738 -0.907 0.000 2.016 123 Q HN 0.727 nan 8.270 nan 0.000 0.543 124 W N -0.043 121.254 121.300 -0.005 0.000 1.941 124 W HA 0.383 4.813 4.660 -0.384 0.000 0.629 124 W C 1.816 178.315 176.519 -0.034 0.000 1.517 124 W CA -0.776 56.590 57.345 0.035 0.000 1.502 124 W CB -0.149 29.302 29.460 -0.014 0.000 3.266 124 W HN 0.211 nan 8.180 nan 0.000 0.765 125 R N -0.601 119.973 120.500 0.124 0.000 2.092 125 R HA -0.131 3.979 4.340 -0.383 0.000 0.231 125 R C 1.753 177.864 176.300 -0.316 0.000 1.119 125 R CA 1.677 57.670 56.100 -0.179 0.000 0.970 125 R CB -0.335 29.702 30.300 -0.439 0.000 0.864 125 R HN 0.499 nan 8.270 nan 0.000 0.440 126 H N -1.229 117.920 119.070 0.132 0.000 2.594 126 H HA 0.148 4.474 4.556 -0.384 0.000 0.274 126 H C 0.646 176.083 175.328 0.182 0.000 0.982 126 H CA 0.496 56.645 56.048 0.169 0.000 1.228 126 H CB 0.032 29.868 29.762 0.124 0.000 1.447 126 H HN 0.118 nan 8.280 nan 0.000 0.485 127 S N 1.596 117.302 115.700 0.011 0.000 2.572 127 S HA 0.310 4.550 4.470 -0.383 0.000 0.279 127 S C -0.234 174.274 174.600 -0.153 0.000 1.341 127 S CA -0.440 57.474 58.200 -0.476 0.000 1.043 127 S CB 0.301 62.732 63.200 -1.281 0.000 0.887 127 S HN 0.456 nan 8.310 nan 0.000 0.516 128 Y N -1.910 118.278 120.300 -0.186 0.000 2.713 128 Y HA 0.716 5.036 4.550 -0.384 0.000 0.335 128 Y C -0.626 175.267 175.900 -0.011 0.000 1.222 128 Y CA -1.022 56.962 58.100 -0.192 0.000 1.061 128 Y CB 0.580 38.899 38.460 -0.236 0.000 1.314 128 Y HN 0.813 nan 8.280 nan 0.000 0.453 129 T N -0.182 114.405 114.554 0.055 0.000 2.940 129 T HA 0.993 5.113 4.350 -0.383 0.000 0.288 129 T C -0.493 174.290 174.700 0.139 0.000 1.033 129 T CA -0.207 61.948 62.100 0.092 0.000 1.033 129 T CB 1.722 70.605 68.868 0.024 0.000 1.079 129 T HN 1.733 nan 8.240 nan 0.000 0.496 130 A N 0.845 123.719 122.820 0.090 0.000 2.601 130 A HA 0.735 4.825 4.320 -0.383 0.000 0.291 130 A C -0.435 176.928 177.584 -0.369 0.000 1.075 130 A CA -0.957 50.979 52.037 -0.167 0.000 0.671 130 A CB 1.196 20.053 19.000 -0.238 0.000 1.277 130 A HN 0.808 nan 8.150 nan 0.000 0.417 131 S N -0.285 114.985 115.700 -0.717 0.000 2.585 131 S HA 0.728 4.968 4.470 -0.383 0.000 0.277 131 S C -1.377 172.570 174.600 -1.088 0.000 1.241 131 S CA 0.092 57.745 58.200 -0.912 0.000 1.041 131 S CB 0.344 62.649 63.200 -1.491 0.000 0.987 131 S HN 0.428 nan 8.310 nan 0.000 0.512 132 Y N 0.415 120.498 120.300 -0.361 0.000 2.457 132 Y HA 0.441 4.761 4.550 -0.383 0.000 0.343 132 Y C -0.424 175.575 175.900 0.166 0.000 0.994 132 Y CA -0.980 57.094 58.100 -0.043 0.000 1.031 132 Y CB 1.728 40.091 38.460 -0.162 0.000 1.246 132 Y HN 0.477 nan 8.280 nan 0.000 0.449 133 D N 2.857 123.524 120.400 0.445 0.000 2.481 133 D HA 0.534 4.944 4.640 -0.383 0.000 0.244 133 D C -0.851 175.587 176.300 0.229 0.000 1.057 133 D CA -0.341 53.850 54.000 0.320 0.000 0.848 133 D CB 2.350 43.380 40.800 0.384 0.000 1.388 133 D HN 0.391 nan 8.370 nan 0.000 0.475 134 I N 2.208 122.899 120.570 0.200 0.000 2.330 134 I HA 0.222 4.162 4.170 -0.383 0.000 0.289 134 I C -0.723 175.583 176.117 0.315 0.000 1.001 134 I CA -0.963 60.492 61.300 0.259 0.000 1.193 134 I CB 0.999 39.107 38.000 0.180 0.000 1.345 134 I HN 0.216 nan 8.210 nan 0.000 0.461 135 Y N 5.582 126.030 120.300 0.247 0.000 2.326 135 Y HA 0.199 4.520 4.550 -0.383 0.000 0.337 135 Y C 0.297 176.362 175.900 0.274 0.000 1.023 135 Y CA -0.325 57.912 58.100 0.228 0.000 1.143 135 Y CB 0.908 39.501 38.460 0.221 0.000 1.183 135 Y HN 0.485 nan 8.280 nan 0.000 0.485 136 D N 6.418 126.757 120.400 -0.103 0.000 2.352 136 D HA 0.062 4.472 4.640 -0.383 0.000 0.245 136 D C 0.749 176.899 176.300 -0.249 0.000 1.224 136 D CA 0.378 54.305 54.000 -0.122 0.000 0.879 136 D CB 0.851 41.584 40.800 -0.110 0.000 1.057 136 D HN 0.833 nan 8.370 nan 0.000 0.491 137 L N 3.853 124.982 121.223 -0.156 0.000 2.027 137 L HA -0.198 3.912 4.340 -0.383 0.000 0.206 137 L C 2.191 178.963 176.870 -0.164 0.000 1.074 137 L CA 0.728 55.525 54.840 -0.072 0.000 0.745 137 L CB -0.324 41.665 42.059 -0.118 0.000 0.898 137 L HN 0.400 nan 8.230 nan 0.000 0.433 138 N N 0.535 119.085 118.700 -0.250 0.000 2.036 138 N HA -0.230 4.280 4.740 -0.383 0.000 0.195 138 N C 1.772 177.186 175.510 -0.161 0.000 1.037 138 N CA 1.625 54.554 53.050 -0.201 0.000 0.855 138 N CB -0.302 38.051 38.487 -0.223 0.000 1.033 138 N HN 0.344 nan 8.380 nan 0.000 0.423 139 K N 0.254 120.546 120.400 -0.180 0.000 2.305 139 K HA 0.178 4.268 4.320 -0.383 0.000 0.199 139 K C -0.038 176.464 176.600 -0.163 0.000 1.047 139 K CA -0.081 56.116 56.287 -0.150 0.000 0.976 139 K CB 0.320 32.737 32.500 -0.138 0.000 0.765 139 K HN 0.078 nan 8.250 nan 0.000 0.474 140 R N 1.230 121.605 120.500 -0.209 0.000 3.201 140 R HA -0.182 3.928 4.340 -0.383 0.000 0.254 140 R C -1.114 174.953 176.300 -0.388 0.000 0.978 140 R CA 0.494 56.477 56.100 -0.195 0.000 0.661 140 R CB -1.550 28.737 30.300 -0.021 0.000 1.170 140 R HN 0.366 nan 8.270 nan 0.000 0.430 141 Q N 0.299 119.614 119.800 -0.808 0.000 2.386 141 Q HA 0.290 4.400 4.340 -0.383 0.000 0.274 141 Q C -1.049 174.618 176.000 -0.556 0.000 1.011 141 Q CA -1.064 54.423 55.803 -0.527 0.000 0.867 141 Q CB 1.843 30.448 28.738 -0.223 0.000 1.409 141 Q HN 0.002 nan 8.270 nan 0.000 0.395 142 L N 2.575 123.691 121.223 -0.178 0.000 2.416 142 L HA 0.301 4.411 4.340 -0.383 0.000 0.272 142 L C -0.100 176.786 176.870 0.027 0.000 1.161 142 L CA 0.565 55.430 54.840 0.043 0.000 0.845 142 L CB 0.343 42.521 42.059 0.199 0.000 1.119 142 L HN 0.556 nan 8.230 nan 0.000 0.464 143 I N 2.711 123.320 120.570 0.064 0.000 2.371 143 I HA 0.099 4.039 4.170 -0.383 0.000 0.290 143 I C 1.216 177.362 176.117 0.049 0.000 1.028 143 I CA 0.014 61.342 61.300 0.047 0.000 1.345 143 I CB 1.052 39.081 38.000 0.048 0.000 1.407 143 I HN 0.765 nan 8.210 nan 0.000 0.501 144 T N 0.738 115.310 114.554 0.029 0.000 3.022 144 T HA 0.145 4.265 4.350 -0.383 0.000 0.250 144 T C 0.381 175.081 174.700 0.001 0.000 1.060 144 T CA -0.304 61.812 62.100 0.026 0.000 1.013 144 T CB -0.131 68.753 68.868 0.026 0.000 0.982 144 T HN 0.677 nan 8.240 nan 0.000 0.508 145 E N 1.048 121.241 120.200 -0.011 0.000 2.221 145 E HA 0.425 4.545 4.350 -0.383 0.000 0.268 145 E C -0.847 175.722 176.600 -0.052 0.000 0.933 145 E CA -0.885 55.497 56.400 -0.029 0.000 0.809 145 E CB 0.731 30.417 29.700 -0.023 0.000 1.190 145 E HN -0.023 nan 8.360 nan 0.000 0.406 146 E N 1.218 121.375 120.200 -0.071 0.000 2.197 146 E HA -0.235 3.885 4.350 -0.383 0.000 0.184 146 E C -0.776 175.743 176.600 -0.134 0.000 1.439 146 E CA 0.725 57.064 56.400 -0.102 0.000 0.688 146 E CB -1.211 28.436 29.700 -0.089 0.000 1.090 146 E HN 0.549 nan 8.360 nan 0.000 0.341 147 R N -0.045 120.364 120.500 -0.153 0.000 2.577 147 R HA 0.447 4.558 4.340 -0.383 0.000 0.269 147 R C 1.017 177.120 176.300 -0.329 0.000 1.084 147 R CA -0.708 55.283 56.100 -0.181 0.000 1.163 147 R CB 0.595 30.823 30.300 -0.120 0.000 1.100 147 R HN 0.150 nan 8.270 nan 0.000 0.547 148 I N 4.350 124.683 120.570 -0.394 0.000 2.587 148 I HA 0.046 3.987 4.170 -0.383 0.000 0.284 148 I C -1.550 174.252 176.117 -0.524 0.000 1.134 148 I CA -1.447 59.450 61.300 -0.672 0.000 1.410 148 I CB 0.224 37.848 38.000 -0.627 0.000 1.392 148 I HN 0.335 nan 8.210 nan 0.000 0.545 149 P HA 0.048 nan 4.420 nan 0.000 0.271 149 P C -0.708 176.401 177.300 -0.319 0.000 1.244 149 P CA -0.349 62.390 63.100 -0.602 0.000 0.793 149 P CB 0.442 31.409 31.700 -1.220 0.000 0.984 150 N N 0.768 119.378 118.700 -0.150 0.000 2.415 150 N HA -0.006 4.504 4.740 -0.383 0.000 0.248 150 N C 0.308 175.904 175.510 0.144 0.000 1.271 150 N CA 0.176 53.197 53.050 -0.048 0.000 0.913 150 N CB -0.681 37.781 38.487 -0.041 0.000 1.129 150 N HN 0.427 nan 8.380 nan 0.000 0.444 151 N N -1.771 116.985 118.700 0.093 0.000 2.780 151 N HA -0.161 4.349 4.740 -0.383 0.000 0.248 151 N C -1.060 174.618 175.510 0.281 0.000 1.102 151 N CA 0.547 53.685 53.050 0.147 0.000 0.697 151 N CB -1.307 37.252 38.487 0.119 0.000 1.028 151 N HN 0.446 nan 8.380 nan 0.000 0.554 152 T N 0.291 115.018 114.554 0.288 0.000 2.884 152 T HA 0.086 4.207 4.350 -0.383 0.000 0.298 152 T C 1.433 176.288 174.700 0.259 0.000 0.998 152 T CA 0.016 62.308 62.100 0.319 0.000 1.124 152 T CB 1.243 70.201 68.868 0.149 0.000 0.931 152 T HN 0.182 nan 8.240 nan 0.000 0.531 153 Q N 1.823 121.756 119.800 0.221 0.000 2.250 153 Q HA 0.151 4.261 4.340 -0.383 0.000 0.200 153 Q C 0.132 176.256 176.000 0.206 0.000 0.941 153 Q CA 0.469 56.400 55.803 0.214 0.000 0.872 153 Q CB 0.741 29.547 28.738 0.114 0.000 0.965 153 Q HN 0.694 nan 8.270 nan 0.000 0.480 154 W N -0.008 121.221 121.300 -0.118 0.000 3.573 154 W HA 0.460 4.890 4.660 -0.383 0.000 0.306 154 W C -2.292 174.113 176.519 -0.189 0.000 1.227 154 W CA -0.592 56.644 57.345 -0.183 0.000 1.212 154 W CB 1.250 30.538 29.460 -0.286 0.000 1.331 154 W HN -0.368 nan 8.180 nan 0.000 0.524 155 V N 3.627 122.827 119.914 -1.189 0.000 2.789 155 V HA 0.687 4.577 4.120 -0.383 0.000 0.311 155 V C -0.452 174.993 176.094 -1.082 0.000 1.073 155 V CA -0.573 61.133 62.300 -0.989 0.000 0.921 155 V CB 1.970 33.139 31.823 -1.089 0.000 1.009 155 V HN 0.481 nan 8.190 nan 0.000 0.426 156 T N 3.141 117.370 114.554 -0.541 0.000 3.105 156 T HA 0.484 4.604 4.350 -0.383 0.000 0.321 156 T C -1.460 173.242 174.700 0.004 0.000 1.135 156 T CA -0.359 61.627 62.100 -0.191 0.000 1.053 156 T CB 0.670 69.665 68.868 0.211 0.000 1.133 156 T HN 0.501 nan 8.240 nan 0.000 0.463 157 W N 3.738 125.075 121.300 0.062 0.000 2.170 157 W HA 0.411 4.840 4.660 -0.384 0.000 0.336 157 W C 1.319 177.680 176.519 -0.264 0.000 1.283 157 W CA -0.587 56.742 57.345 -0.026 0.000 1.224 157 W CB 0.471 29.916 29.460 -0.024 0.000 1.132 157 W HN 0.799 nan 8.180 nan 0.000 0.571 158 S N 2.054 117.443 115.700 -0.518 0.000 2.560 158 S HA 0.007 4.247 4.470 -0.383 0.000 0.276 158 S C -1.746 172.543 174.600 -0.519 0.000 1.350 158 S CA -0.785 56.577 58.200 -1.396 0.000 1.024 158 S CB 0.619 63.043 63.200 -1.294 0.000 0.864 158 S HN 0.324 nan 8.310 nan 0.000 0.536 159 P HA 0.075 nan 4.420 nan 0.000 0.223 159 P C 0.342 177.587 177.300 -0.091 0.000 1.151 159 P CA 0.640 63.676 63.100 -0.106 0.000 0.787 159 P CB -0.160 31.525 31.700 -0.025 0.000 0.788 160 V N -6.067 113.752 119.914 -0.159 0.000 3.001 160 V HA 0.905 4.795 4.120 -0.383 0.000 0.314 160 V C 0.343 176.342 176.094 -0.159 0.000 1.099 160 V CA -0.254 61.977 62.300 -0.114 0.000 0.989 160 V CB 1.058 32.834 31.823 -0.079 0.000 1.040 160 V HN 0.417 nan 8.190 nan 0.000 0.434 161 G N 2.313 111.046 108.800 -0.111 0.000 2.525 161 G HA2 -0.162 3.568 3.960 -0.383 0.000 0.248 161 G HA3 -0.162 3.568 3.960 -0.383 0.000 0.248 161 G C 0.212 175.069 174.900 -0.071 0.000 1.238 161 G CA 0.706 45.722 45.100 -0.140 0.000 0.926 161 G HN 2.539 nan 8.290 nan 0.000 0.574 162 H N -0.361 118.720 119.070 0.019 0.000 2.904 162 H HA 0.402 4.728 4.556 -0.383 0.000 0.242 162 H C 0.400 175.881 175.328 0.254 0.000 1.193 162 H CA -0.038 56.077 56.048 0.111 0.000 0.946 162 H CB -0.023 29.848 29.762 0.182 0.000 2.135 162 H HN 0.522 nan 8.280 nan 0.000 0.652 163 K N 1.567 122.018 120.400 0.085 0.000 2.219 163 K HA 0.440 4.530 4.320 -0.383 0.000 0.258 163 K C -0.351 176.385 176.600 0.227 0.000 1.008 163 K CA -0.233 56.118 56.287 0.106 0.000 0.928 163 K CB 1.492 33.940 32.500 -0.088 0.000 0.983 163 K HN 0.128 nan 8.250 nan 0.000 0.484 164 L N 1.058 122.420 121.223 0.232 0.000 2.408 164 L HA 0.537 4.647 4.340 -0.383 0.000 0.268 164 L C -1.006 176.051 176.870 0.311 0.000 0.986 164 L CA -0.963 53.975 54.840 0.163 0.000 0.820 164 L CB 2.112 44.120 42.059 -0.085 0.000 1.303 164 L HN 0.740 nan 8.230 nan 0.000 0.411 165 A N 3.132 126.136 122.820 0.308 0.000 2.331 165 A HA 0.760 4.851 4.320 -0.383 0.000 0.320 165 A C -1.406 176.186 177.584 0.015 0.000 1.138 165 A CA -0.358 51.725 52.037 0.076 0.000 0.790 165 A CB 0.977 19.898 19.000 -0.131 0.000 1.206 165 A HN 0.634 nan 8.150 nan 0.000 0.470 166 Y N -0.067 120.173 120.300 -0.100 0.000 2.576 166 Y HA 0.792 5.112 4.550 -0.383 0.000 0.346 166 Y C -1.007 174.889 175.900 -0.008 0.000 1.018 166 Y CA -1.601 56.415 58.100 -0.139 0.000 1.050 166 Y CB 1.252 39.561 38.460 -0.252 0.000 1.280 166 Y HN 0.352 nan 8.280 nan 0.000 0.474 167 V N 2.279 122.287 119.914 0.156 0.000 2.495 167 V HA 0.398 4.289 4.120 -0.383 0.000 0.298 167 V C -1.429 174.856 176.094 0.319 0.000 1.031 167 V CA -0.645 61.731 62.300 0.127 0.000 0.871 167 V CB 1.307 33.124 31.823 -0.009 0.000 0.988 167 V HN 0.893 nan 8.190 nan 0.000 0.432 168 W N 4.739 126.103 121.300 0.106 0.000 3.439 168 W HA 0.422 4.852 4.660 -0.383 0.000 0.323 168 W C 0.153 176.710 176.519 0.063 0.000 1.174 168 W CA -0.714 56.684 57.345 0.088 0.000 1.224 168 W CB 1.191 30.700 29.460 0.081 0.000 1.348 168 W HN 0.773 nan 8.180 nan 0.000 0.498 169 N N 5.181 123.500 118.700 -0.634 0.000 2.708 169 N HA -0.346 4.164 4.740 -0.383 0.000 0.251 169 N C -0.030 175.314 175.510 -0.277 0.000 1.017 169 N CA 1.022 53.731 53.050 -0.568 0.000 0.742 169 N CB -0.863 37.103 38.487 -0.868 0.000 0.943 169 N HN 0.679 nan 8.380 nan 0.000 0.539 170 N N -1.897 116.702 118.700 -0.169 0.000 2.828 170 N HA -0.153 4.357 4.740 -0.383 0.000 0.248 170 N C -1.358 174.069 175.510 -0.139 0.000 1.044 170 N CA 1.609 54.577 53.050 -0.137 0.000 0.851 170 N CB -0.566 37.798 38.487 -0.204 0.000 1.136 170 N HN 0.551 nan 8.380 nan 0.000 0.572 171 D N -0.203 120.125 120.400 -0.119 0.000 2.340 171 D HA 0.506 4.916 4.640 -0.383 0.000 0.240 171 D C 0.453 176.591 176.300 -0.270 0.000 1.001 171 D CA -0.458 53.398 54.000 -0.240 0.000 0.888 171 D CB 1.301 41.906 40.800 -0.326 0.000 1.310 171 D HN -0.006 nan 8.370 nan 0.000 0.474 172 I N 1.702 121.960 120.570 -0.520 0.000 2.396 172 I HA 0.216 4.156 4.170 -0.383 0.000 0.292 172 I C -0.583 175.067 176.117 -0.777 0.000 0.999 172 I CA -0.311 60.657 61.300 -0.553 0.000 1.310 172 I CB 0.500 38.090 38.000 -0.682 0.000 1.404 172 I HN 0.157 nan 8.210 nan 0.000 0.496 173 Y N 4.162 124.068 120.300 -0.657 0.000 2.499 173 Y HA 0.660 4.980 4.550 -0.383 0.000 0.347 173 Y C -0.420 175.149 175.900 -0.550 0.000 0.987 173 Y CA -0.998 56.672 58.100 -0.717 0.000 1.044 173 Y CB 2.107 39.800 38.460 -1.278 0.000 1.245 173 Y HN 0.106 nan 8.280 nan 0.000 0.461 174 V N 2.745 122.605 119.914 -0.088 0.000 2.588 174 V HA 0.436 4.326 4.120 -0.383 0.000 0.304 174 V C -0.909 175.319 176.094 0.223 0.000 1.042 174 V CA -1.394 60.955 62.300 0.081 0.000 0.877 174 V CB 1.894 33.779 31.823 0.103 0.000 0.996 174 V HN 0.626 nan 8.190 nan 0.000 0.425 175 K N 4.523 125.059 120.400 0.226 0.000 2.367 175 K HA 0.490 4.581 4.320 -0.383 0.000 0.263 175 K C 0.497 177.228 176.600 0.218 0.000 1.000 175 K CA -0.712 55.697 56.287 0.203 0.000 0.891 175 K CB 1.669 34.245 32.500 0.127 0.000 1.117 175 K HN 0.428 nan 8.250 nan 0.000 0.443 176 I N 1.153 121.875 120.570 0.253 0.000 2.179 176 I HA -0.135 3.805 4.170 -0.383 0.000 0.242 176 I C 0.531 176.760 176.117 0.188 0.000 1.088 176 I CA 1.582 63.000 61.300 0.197 0.000 1.357 176 I CB -0.378 37.748 38.000 0.210 0.000 1.051 176 I HN 0.566 nan 8.210 nan 0.000 0.409 177 E N 0.137 120.439 120.200 0.170 0.000 2.238 177 E HA 0.277 4.398 4.350 -0.383 0.000 0.267 177 E C -1.868 174.728 176.600 -0.007 0.000 0.887 177 E CA -2.128 54.352 56.400 0.134 0.000 0.769 177 E CB 1.535 31.307 29.700 0.121 0.000 1.187 177 E HN -0.094 nan 8.360 nan 0.000 0.416 178 P HA -0.141 nan 4.420 nan 0.000 0.221 178 P C 0.707 177.923 177.300 -0.140 0.000 1.145 178 P CA 1.235 64.187 63.100 -0.246 0.000 0.795 178 P CB 0.314 31.630 31.700 -0.640 0.000 0.775 179 N N -2.265 116.378 118.700 -0.096 0.000 2.205 179 N HA 0.022 4.532 4.740 -0.383 0.000 0.201 179 N C 0.260 175.748 175.510 -0.037 0.000 1.128 179 N CA 0.271 53.291 53.050 -0.049 0.000 0.867 179 N CB -0.313 38.163 38.487 -0.017 0.000 0.996 179 N HN 0.007 nan 8.380 nan 0.000 0.503 180 L N 1.142 122.346 121.223 -0.031 0.000 2.431 180 L HA 0.603 4.713 4.340 -0.383 0.000 0.260 180 L C -2.062 174.762 176.870 -0.077 0.000 1.098 180 L CA -2.027 52.791 54.840 -0.036 0.000 0.800 180 L CB 0.630 42.688 42.059 -0.001 0.000 1.210 180 L HN -0.096 nan 8.230 nan 0.000 0.465 181 P HA 0.100 nan 4.420 nan 0.000 0.270 181 P C -0.778 176.372 177.300 -0.251 0.000 1.223 181 P CA -0.140 62.854 63.100 -0.176 0.000 0.785 181 P CB 0.450 32.028 31.700 -0.203 0.000 0.923 182 S N 0.558 116.157 115.700 -0.168 0.000 2.610 182 S HA 0.376 4.616 4.470 -0.383 0.000 0.273 182 S C -0.632 173.856 174.600 -0.187 0.000 1.274 182 S CA -0.246 57.901 58.200 -0.088 0.000 1.023 182 S CB 0.034 63.295 63.200 0.101 0.000 0.962 182 S HN 0.239 nan 8.310 nan 0.000 0.523 183 Y N 0.971 121.298 120.300 0.045 0.000 2.335 183 Y HA 0.363 4.683 4.550 -0.383 0.000 0.339 183 Y C 0.875 176.698 175.900 -0.128 0.000 0.987 183 Y CA -0.663 57.439 58.100 0.003 0.000 1.140 183 Y CB 0.636 39.098 38.460 0.004 0.000 1.173 183 Y HN 0.435 nan 8.280 nan 0.000 0.486 184 R N 4.311 124.759 120.500 -0.087 0.000 2.288 184 R HA 0.120 4.230 4.340 -0.383 0.000 0.330 184 R C 0.414 176.476 176.300 -0.396 0.000 1.069 184 R CA 0.050 55.788 56.100 -0.604 0.000 0.941 184 R CB 0.286 30.009 30.300 -0.963 0.000 0.998 184 R HN 0.801 nan 8.270 nan 0.000 0.452 185 I N 2.052 122.317 120.570 -0.509 0.000 2.277 185 I HA -0.103 3.837 4.170 -0.383 0.000 0.243 185 I C 1.395 177.343 176.117 -0.282 0.000 1.094 185 I CA 1.320 62.431 61.300 -0.315 0.000 1.393 185 I CB -0.884 36.881 38.000 -0.393 0.000 1.078 185 I HN 0.529 nan 8.210 nan 0.000 0.417 186 T N -3.782 110.466 114.554 -0.510 0.000 2.887 186 T HA 0.395 4.516 4.350 -0.383 0.000 0.288 186 T C -0.684 173.763 174.700 -0.421 0.000 1.021 186 T CA -0.537 61.366 62.100 -0.328 0.000 1.000 186 T CB 1.940 70.575 68.868 -0.388 0.000 1.034 186 T HN 0.203 nan 8.240 nan 0.000 0.467 187 W N 0.734 121.917 121.300 -0.195 0.000 2.499 187 W HA 0.266 4.696 4.660 -0.383 0.000 0.362 187 W C 1.664 178.123 176.519 -0.101 0.000 0.945 187 W CA -0.214 57.051 57.345 -0.134 0.000 1.721 187 W CB 0.472 29.873 29.460 -0.099 0.000 1.156 187 W HN 0.964 nan 8.180 nan 0.000 0.547 188 T N -3.645 110.934 114.554 0.042 0.000 3.010 188 T HA 0.291 4.411 4.350 -0.383 0.000 0.257 188 T C 1.208 175.891 174.700 -0.027 0.000 1.020 188 T CA 0.123 62.237 62.100 0.022 0.000 0.938 188 T CB -0.001 68.880 68.868 0.021 0.000 1.049 188 T HN -0.023 nan 8.240 nan 0.000 0.522 189 G N 1.516 110.269 108.800 -0.079 0.000 2.225 189 G HA2 0.363 4.093 3.960 -0.383 0.000 0.245 189 G HA3 0.363 4.093 3.960 -0.383 0.000 0.245 189 G C -0.625 174.199 174.900 -0.127 0.000 1.249 189 G CA -0.258 44.772 45.100 -0.117 0.000 0.919 189 G HN 0.527 nan 8.290 nan 0.000 0.486 190 K N 2.095 122.400 120.400 -0.159 0.000 2.581 190 K HA 0.175 4.265 4.320 -0.383 0.000 0.249 190 K C -0.186 176.278 176.600 -0.226 0.000 0.966 190 K CA -0.682 55.514 56.287 -0.152 0.000 0.811 190 K CB 1.696 34.145 32.500 -0.086 0.000 1.223 190 K HN 0.650 nan 8.250 nan 0.000 0.438 191 E N 3.525 123.604 120.200 -0.202 0.000 2.558 191 E HA -0.140 3.980 4.350 -0.383 0.000 0.255 191 E C -0.617 175.888 176.600 -0.158 0.000 0.968 191 E CA 0.888 57.167 56.400 -0.201 0.000 0.939 191 E CB 0.274 29.893 29.700 -0.134 0.000 0.921 191 E HN 0.663 nan 8.360 nan 0.000 0.477 192 D N 2.356 122.650 120.400 -0.176 0.000 2.946 192 D HA -0.235 4.176 4.640 -0.383 0.000 0.202 192 D C 0.502 176.831 176.300 0.049 0.000 1.068 192 D CA 1.589 55.601 54.000 0.020 0.000 1.011 192 D CB -1.003 39.841 40.800 0.074 0.000 1.105 192 D HN 0.545 nan 8.370 nan 0.000 0.425 193 I N -1.123 119.377 120.570 -0.117 0.000 3.685 193 I HA 0.078 4.018 4.170 -0.383 0.000 0.258 193 I C 0.178 176.335 176.117 0.067 0.000 1.135 193 I CA -0.053 61.267 61.300 0.033 0.000 1.436 193 I CB 0.734 38.741 38.000 0.013 0.000 1.670 193 I HN -0.179 nan 8.210 nan 0.000 0.424 194 I N 1.619 122.142 120.570 -0.078 0.000 2.362 194 I HA 0.276 4.216 4.170 -0.383 0.000 0.289 194 I C -1.439 174.632 176.117 -0.077 0.000 0.994 194 I CA -0.528 60.792 61.300 0.033 0.000 1.158 194 I CB 0.655 38.670 38.000 0.026 0.000 1.315 194 I HN 0.056 nan 8.210 nan 0.000 0.451 195 Y N 4.440 124.824 120.300 0.140 0.000 2.356 195 Y HA 0.378 4.699 4.550 -0.382 0.000 0.334 195 Y C 0.124 176.068 175.900 0.074 0.000 0.958 195 Y CA -0.821 57.361 58.100 0.137 0.000 1.196 195 Y CB 0.975 39.603 38.460 0.280 0.000 1.137 195 Y HN 0.470 nan 8.280 nan 0.000 0.485 196 N N 1.578 120.322 118.700 0.074 0.000 2.444 196 N HA 0.459 4.969 4.740 -0.383 0.000 0.262 196 N C 0.754 176.169 175.510 -0.158 0.000 0.974 196 N CA 0.227 53.238 53.050 -0.064 0.000 0.933 196 N CB 1.497 39.852 38.487 -0.220 0.000 1.137 196 N HN 0.895 nan 8.380 nan 0.000 0.498 197 G N 1.610 110.323 108.800 -0.145 0.000 2.184 197 G HA2 -0.270 3.460 3.960 -0.383 0.000 0.264 197 G HA3 -0.270 3.460 3.960 -0.383 0.000 0.264 197 G C 0.098 174.822 174.900 -0.294 0.000 0.975 197 G CA 0.771 45.715 45.100 -0.260 0.000 0.642 197 G HN 0.617 nan 8.290 nan 0.000 0.536 198 I N -1.625 118.851 120.570 -0.156 0.000 2.828 198 I HA 0.824 4.764 4.170 -0.383 0.000 0.302 198 I C 0.367 176.536 176.117 0.086 0.000 1.101 198 I CA -0.667 60.480 61.300 -0.255 0.000 1.031 198 I CB 2.057 39.752 38.000 -0.508 0.000 1.231 198 I HN 0.168 nan 8.210 nan 0.000 0.427 199 T N -0.422 114.115 114.554 -0.027 0.000 2.899 199 T HA 0.406 4.526 4.350 -0.383 0.000 0.284 199 T C -0.295 174.216 174.700 -0.314 0.000 1.004 199 T CA -0.670 61.281 62.100 -0.248 0.000 1.043 199 T CB 1.294 70.063 68.868 -0.166 0.000 1.013 199 T HN 0.778 nan 8.240 nan 0.000 0.518 200 D N 0.033 119.988 120.400 -0.741 0.000 2.432 200 D HA 0.066 4.476 4.640 -0.383 0.000 0.258 200 D C 0.978 177.204 176.300 -0.124 0.000 1.146 200 D CA -1.166 52.426 54.000 -0.679 0.000 1.015 200 D CB 0.328 40.623 40.800 -0.842 0.000 1.107 200 D HN 0.729 nan 8.370 nan 0.000 0.529 201 W N 0.723 121.980 121.300 -0.072 0.000 2.283 201 W HA -0.333 4.098 4.660 -0.383 0.000 0.335 201 W C 2.158 178.589 176.519 -0.147 0.000 1.313 201 W CA 3.561 60.848 57.345 -0.096 0.000 1.263 201 W CB -0.569 28.777 29.460 -0.189 0.000 1.141 201 W HN 0.271 nan 8.180 nan 0.000 0.468 202 V N -2.171 117.836 119.914 0.154 0.000 2.407 202 V HA -0.313 3.577 4.120 -0.383 0.000 0.248 202 V C 1.749 177.695 176.094 -0.248 0.000 1.055 202 V CA 1.910 64.172 62.300 -0.063 0.000 1.049 202 V CB -1.747 30.025 31.823 -0.085 0.000 0.662 202 V HN 0.323 nan 8.190 nan 0.000 0.455 203 Y N 1.032 121.174 120.300 -0.262 0.000 2.263 203 Y HA -0.068 4.252 4.550 -0.383 0.000 0.292 203 Y C 2.829 178.648 175.900 -0.135 0.000 1.130 203 Y CA 1.918 59.882 58.100 -0.226 0.000 1.179 203 Y CB -0.086 38.096 38.460 -0.462 0.000 0.998 203 Y HN 0.320 nan 8.280 nan 0.000 0.532 204 E N 0.275 120.443 120.200 -0.053 0.000 2.051 204 E HA -0.283 3.837 4.350 -0.383 0.000 0.192 204 E C 1.934 178.494 176.600 -0.067 0.000 0.991 204 E CA 1.583 57.973 56.400 -0.016 0.000 0.799 204 E CB 0.073 29.753 29.700 -0.033 0.000 0.748 204 E HN 0.413 nan 8.360 nan 0.000 0.449 205 E N 0.092 120.077 120.200 -0.359 0.000 2.086 205 E HA -0.109 4.011 4.350 -0.383 0.000 0.190 205 E C 1.669 178.163 176.600 -0.176 0.000 0.975 205 E CA 1.245 57.416 56.400 -0.381 0.000 0.813 205 E CB 0.203 29.309 29.700 -0.989 0.000 0.768 205 E HN 0.175 nan 8.360 nan 0.000 0.457 206 E N -0.642 119.430 120.200 -0.213 0.000 2.389 206 E HA 0.094 4.214 4.350 -0.383 0.000 0.199 206 E C 1.801 178.289 176.600 -0.188 0.000 0.978 206 E CA 0.476 56.795 56.400 -0.135 0.000 0.912 206 E CB 0.878 30.491 29.700 -0.144 0.000 0.907 206 E HN 0.194 nan 8.360 nan 0.000 0.494 207 V N -0.400 119.360 119.914 -0.256 0.000 2.735 207 V HA 0.056 3.946 4.120 -0.383 0.000 0.234 207 V C 1.498 177.389 176.094 -0.339 0.000 1.121 207 V CA 0.747 62.823 62.300 -0.375 0.000 1.160 207 V CB -0.285 31.209 31.823 -0.550 0.000 0.908 207 V HN 0.017 nan 8.190 nan 0.000 0.495 208 F N 0.652 120.620 119.950 0.031 0.000 2.746 208 F HA 0.272 4.570 4.527 -0.382 0.000 0.297 208 F C 1.555 177.330 175.800 -0.043 0.000 1.113 208 F CA 0.249 58.286 58.000 0.062 0.000 1.367 208 F CB -0.206 38.889 39.000 0.158 0.000 1.111 208 F HN 0.064 nan 8.300 nan 0.000 0.590 209 S N 0.694 116.414 115.700 0.034 0.000 3.486 209 S HA -0.008 4.232 4.470 -0.383 0.000 0.371 209 S C 0.066 174.279 174.600 -0.646 0.000 1.001 209 S CA 0.425 58.498 58.200 -0.212 0.000 1.164 209 S CB -1.739 61.389 63.200 -0.121 0.000 0.911 209 S HN 0.634 nan 8.310 nan 0.000 0.472 210 A N -0.740 121.923 122.820 -0.262 0.000 2.597 210 A HA 0.660 4.750 4.320 -0.383 0.000 0.292 210 A C -0.278 177.299 177.584 -0.012 0.000 1.057 210 A CA -0.471 51.447 52.037 -0.199 0.000 0.674 210 A CB 0.310 19.204 19.000 -0.178 0.000 1.278 210 A HN 0.305 nan 8.150 nan 0.000 0.416 211 Y N 1.150 121.309 120.300 -0.235 0.000 2.314 211 Y HA 0.077 4.397 4.550 -0.383 0.000 0.294 211 Y C 1.683 177.286 175.900 -0.496 0.000 1.119 211 Y CA 1.126 59.077 58.100 -0.247 0.000 1.179 211 Y CB 0.255 38.617 38.460 -0.163 0.000 1.025 211 Y HN 0.727 nan 8.280 nan 0.000 0.541 212 S N 0.655 115.791 115.700 -0.939 0.000 2.552 212 S HA 0.228 4.468 4.470 -0.383 0.000 0.289 212 S C 0.063 174.112 174.600 -0.918 0.000 1.304 212 S CA 0.287 57.683 58.200 -1.341 0.000 1.063 212 S CB 0.704 62.847 63.200 -1.761 0.000 0.848 212 S HN 0.413 nan 8.310 nan 0.000 0.499 213 A N 5.894 128.165 122.820 -0.915 0.000 3.176 213 A HA 0.529 4.619 4.320 -0.383 0.000 0.265 213 A C -0.644 176.122 177.584 -1.363 0.000 0.936 213 A CA -0.496 50.844 52.037 -1.163 0.000 1.033 213 A CB 0.022 18.791 19.000 -0.384 0.000 1.158 213 A HN 0.716 nan 8.150 nan 0.000 0.485 214 L N 0.593 120.966 121.223 -1.417 0.000 2.381 214 L HA 0.565 4.675 4.340 -0.383 0.000 0.274 214 L C -1.155 175.207 176.870 -0.846 0.000 0.988 214 L CA -0.505 53.829 54.840 -0.844 0.000 0.824 214 L CB 1.829 43.622 42.059 -0.442 0.000 1.263 214 L HN 0.467 nan 8.230 nan 0.000 0.410 215 W N 2.627 123.956 121.300 0.049 0.000 2.463 215 W HA 0.253 4.683 4.660 -0.384 0.000 0.316 215 W C -0.881 175.866 176.519 0.379 0.000 1.004 215 W CA -1.125 56.381 57.345 0.269 0.000 1.309 215 W CB 1.271 30.933 29.460 0.338 0.000 1.288 215 W HN 0.496 nan 8.180 nan 0.000 0.423 216 W N 2.572 124.085 121.300 0.355 0.000 2.190 216 W HA 0.174 4.604 4.660 -0.384 0.000 0.330 216 W C 1.363 177.692 176.519 -0.317 0.000 1.299 216 W CA 0.294 57.702 57.345 0.104 0.000 1.215 216 W CB 0.842 30.338 29.460 0.061 0.000 1.147 216 W HN 0.205 nan 8.180 nan 0.000 0.563 217 S N 2.857 118.271 115.700 -0.476 0.000 2.584 217 S HA 0.137 4.377 4.470 -0.383 0.000 0.270 217 S C -1.740 172.574 174.600 -0.477 0.000 1.346 217 S CA -0.994 56.375 58.200 -1.384 0.000 1.018 217 S CB 1.030 63.510 63.200 -1.201 0.000 0.899 217 S HN 0.299 nan 8.310 nan 0.000 0.542 218 P HA -0.139 nan 4.420 nan 0.000 0.216 218 P C 0.771 178.025 177.300 -0.076 0.000 1.150 218 P CA 1.552 64.598 63.100 -0.090 0.000 0.843 218 P CB -0.201 31.497 31.700 -0.003 0.000 0.787 219 N N -2.121 116.520 118.700 -0.099 0.000 2.214 219 N HA 0.151 4.661 4.740 -0.383 0.000 0.214 219 N C 1.034 176.461 175.510 -0.139 0.000 1.132 219 N CA 0.300 53.293 53.050 -0.094 0.000 0.856 219 N CB -0.711 37.740 38.487 -0.060 0.000 1.020 219 N HN 0.127 nan 8.380 nan 0.000 0.509 220 G N -0.761 107.956 108.800 -0.139 0.000 2.162 220 G HA2 -0.351 3.379 3.960 -0.383 0.000 0.260 220 G HA3 -0.351 3.379 3.960 -0.383 0.000 0.260 220 G C 0.930 175.853 174.900 0.038 0.000 0.976 220 G CA 0.869 45.881 45.100 -0.147 0.000 0.655 220 G HN 0.383 nan 8.290 nan 0.000 0.533 221 T N -0.147 114.367 114.554 -0.065 0.000 2.701 221 T HA 0.178 4.298 4.350 -0.383 0.000 0.263 221 T C 0.810 175.390 174.700 -0.200 0.000 1.040 221 T CA 1.293 63.257 62.100 -0.226 0.000 1.147 221 T CB -0.086 68.498 68.868 -0.474 0.000 0.865 221 T HN 0.273 nan 8.240 nan 0.000 0.426 222 F N 0.541 120.551 119.950 0.100 0.000 2.422 222 F HA 0.584 4.881 4.527 -0.383 0.000 0.333 222 F C -0.205 175.675 175.800 0.135 0.000 1.095 222 F CA -1.584 56.503 58.000 0.145 0.000 1.038 222 F CB 1.061 40.221 39.000 0.266 0.000 1.156 222 F HN -0.071 nan 8.300 nan 0.000 0.483 223 L N 3.447 124.804 121.223 0.223 0.000 2.294 223 L HA 0.766 4.877 4.340 -0.383 0.000 0.283 223 L C -0.393 176.546 176.870 0.115 0.000 1.015 223 L CA -0.369 54.422 54.840 -0.083 0.000 0.831 223 L CB 0.555 42.328 42.059 -0.477 0.000 1.217 223 L HN 0.674 nan 8.230 nan 0.000 0.420 224 A N 4.972 127.926 122.820 0.224 0.000 2.310 224 A HA 0.723 4.814 4.320 -0.383 0.000 0.299 224 A C -1.331 176.291 177.584 0.063 0.000 1.147 224 A CA -0.239 51.835 52.037 0.063 0.000 0.818 224 A CB 0.466 19.614 19.000 0.247 0.000 1.096 224 A HN 0.849 nan 8.150 nan 0.000 0.495 225 Y N -1.449 118.623 120.300 -0.381 0.000 2.581 225 Y HA 0.733 5.053 4.550 -0.383 0.000 0.337 225 Y C -0.394 175.321 175.900 -0.308 0.000 1.108 225 Y CA -0.904 57.037 58.100 -0.265 0.000 1.033 225 Y CB 0.825 39.116 38.460 -0.283 0.000 1.318 225 Y HN 0.923 nan 8.280 nan 0.000 0.459 226 A N 2.529 125.389 122.820 0.067 0.000 2.320 226 A HA 0.679 4.769 4.320 -0.383 0.000 0.334 226 A C -1.100 176.349 177.584 -0.224 0.000 1.147 226 A CA -0.817 51.153 52.037 -0.111 0.000 0.820 226 A CB 1.607 20.528 19.000 -0.131 0.000 1.218 226 A HN 0.845 nan 8.150 nan 0.000 0.482 227 Q N 1.226 120.845 119.800 -0.302 0.000 2.330 227 Q HA 0.614 4.724 4.340 -0.383 0.000 0.269 227 Q C -2.044 173.721 176.000 -0.392 0.000 1.022 227 Q CA -0.389 55.313 55.803 -0.170 0.000 0.796 227 Q CB 0.944 29.821 28.738 0.231 0.000 1.271 227 Q HN 0.574 nan 8.270 nan 0.000 0.450 228 F N 2.329 122.374 119.950 0.158 0.000 2.443 228 F HA 0.438 4.735 4.527 -0.383 0.000 0.335 228 F C 0.383 176.337 175.800 0.257 0.000 1.104 228 F CA -0.939 57.138 58.000 0.129 0.000 1.013 228 F CB 1.357 40.338 39.000 -0.031 0.000 1.136 228 F HN 0.465 nan 8.300 nan 0.000 0.470 229 N N 1.837 120.764 118.700 0.379 0.000 2.479 229 N HA 0.221 4.731 4.740 -0.383 0.000 0.261 229 N C -0.972 174.713 175.510 0.292 0.000 0.979 229 N CA -0.325 52.904 53.050 0.298 0.000 0.930 229 N CB 1.145 39.752 38.487 0.201 0.000 1.172 229 N HN 0.571 nan 8.380 nan 0.000 0.499 230 D N 1.331 121.920 120.400 0.316 0.000 2.424 230 D HA 0.142 4.553 4.640 -0.383 0.000 0.220 230 D C 1.138 177.551 176.300 0.189 0.000 1.150 230 D CA 0.133 54.297 54.000 0.274 0.000 0.831 230 D CB 0.587 41.610 40.800 0.372 0.000 0.981 230 D HN 0.463 nan 8.370 nan 0.000 0.500 231 T N 0.208 114.854 114.554 0.153 0.000 2.699 231 T HA -0.187 3.933 4.350 -0.383 0.000 0.268 231 T C 1.288 176.042 174.700 0.089 0.000 1.036 231 T CA 1.311 63.476 62.100 0.107 0.000 1.147 231 T CB -0.022 68.899 68.868 0.088 0.000 0.862 231 T HN 0.283 nan 8.240 nan 0.000 0.446 232 E N 0.194 120.448 120.200 0.090 0.000 2.548 232 E HA 0.189 4.309 4.350 -0.383 0.000 0.206 232 E C -0.498 176.149 176.600 0.078 0.000 1.005 232 E CA -0.233 56.210 56.400 0.072 0.000 0.951 232 E CB 0.726 30.461 29.700 0.058 0.000 1.035 232 E HN 0.173 nan 8.360 nan 0.000 0.470 233 V N 4.003 123.978 119.914 0.101 0.000 2.485 233 V HA 0.059 3.949 4.120 -0.383 0.000 0.287 233 V C -1.941 174.208 176.094 0.092 0.000 1.022 233 V CA -1.258 61.105 62.300 0.106 0.000 1.067 233 V CB -0.029 31.876 31.823 0.138 0.000 0.967 233 V HN 0.065 nan 8.190 nan 0.000 0.479 234 P HA 0.276 nan 4.420 nan 0.000 0.272 234 P C -0.787 176.550 177.300 0.060 0.000 1.240 234 P CA -0.293 62.843 63.100 0.060 0.000 0.791 234 P CB 0.511 32.244 31.700 0.055 0.000 0.978 235 L N 1.288 122.524 121.223 0.021 0.000 2.307 235 L HA 0.469 4.579 4.340 -0.383 0.000 0.284 235 L C 0.366 177.184 176.870 -0.086 0.000 1.023 235 L CA -1.091 53.742 54.840 -0.011 0.000 0.810 235 L CB 1.062 43.107 42.059 -0.022 0.000 1.231 235 L HN 0.255 nan 8.230 nan 0.000 0.423 236 I N 2.567 123.034 120.570 -0.172 0.000 2.496 236 I HA 0.155 4.095 4.170 -0.383 0.000 0.285 236 I C -0.163 175.780 176.117 -0.290 0.000 1.080 236 I CA 0.513 61.604 61.300 -0.347 0.000 1.404 236 I CB 0.468 37.974 38.000 -0.822 0.000 1.403 236 I HN 0.594 nan 8.210 nan 0.000 0.539 237 E N 7.404 127.459 120.200 -0.241 0.000 2.222 237 E HA 0.536 4.656 4.350 -0.383 0.000 0.267 237 E C -1.682 174.831 176.600 -0.144 0.000 0.884 237 E CA -0.594 55.660 56.400 -0.243 0.000 0.764 237 E CB 1.997 31.598 29.700 -0.164 0.000 1.169 237 E HN 0.568 nan 8.360 nan 0.000 0.413 238 Y N -1.844 118.372 120.300 -0.139 0.000 2.670 238 Y HA 0.547 4.867 4.550 -0.383 0.000 0.334 238 Y C -0.776 175.059 175.900 -0.110 0.000 1.185 238 Y CA -1.327 56.701 58.100 -0.120 0.000 1.053 238 Y CB 0.742 39.139 38.460 -0.105 0.000 1.298 238 Y HN 0.213 nan 8.280 nan 0.000 0.459 239 S N 1.448 117.176 115.700 0.046 0.000 2.562 239 S HA 0.514 4.754 4.470 -0.383 0.000 0.275 239 S C -1.468 173.013 174.600 -0.199 0.000 1.281 239 S CA -0.428 57.639 58.200 -0.222 0.000 1.045 239 S CB 0.397 63.295 63.200 -0.503 0.000 0.962 239 S HN 0.527 nan 8.310 nan 0.000 0.503 240 F N 2.421 122.132 119.950 -0.400 0.000 2.477 240 F HA 0.420 4.717 4.527 -0.384 0.000 0.335 240 F C -0.197 175.389 175.800 -0.356 0.000 1.130 240 F CA -0.759 57.087 58.000 -0.257 0.000 0.948 240 F CB 0.802 39.780 39.000 -0.037 0.000 1.154 240 F HN 0.671 nan 8.300 nan 0.000 0.439 241 Y N 2.698 122.759 120.300 -0.399 0.000 2.448 241 Y HA 0.115 4.435 4.550 -0.383 0.000 0.289 241 Y C 1.691 177.507 175.900 -0.140 0.000 1.114 241 Y CA 1.061 59.037 58.100 -0.206 0.000 1.235 241 Y CB -0.502 37.836 38.460 -0.203 0.000 1.045 241 Y HN 0.740 nan 8.280 nan 0.000 0.554 242 S N -0.161 115.431 115.700 -0.180 0.000 3.443 242 S HA -0.312 3.928 4.470 -0.383 0.000 0.635 242 S C -0.174 174.464 174.600 0.062 0.000 2.555 242 S CA 0.295 58.544 58.200 0.082 0.000 2.778 242 S CB -1.393 61.969 63.200 0.270 0.000 0.331 242 S HN 0.592 nan 8.310 nan 0.000 1.765 243 D N 1.148 121.607 120.400 0.100 0.000 2.368 243 D HA 0.272 4.682 4.640 -0.383 0.000 0.240 243 D C 1.606 177.937 176.300 0.052 0.000 1.169 243 D CA 0.668 54.708 54.000 0.067 0.000 0.906 243 D CB 0.515 41.356 40.800 0.069 0.000 1.187 243 D HN 0.595 nan 8.370 nan 0.000 0.435 244 E N 0.408 120.627 120.200 0.032 0.000 2.265 244 E HA -0.230 3.890 4.350 -0.383 0.000 0.196 244 E C 1.574 178.186 176.600 0.020 0.000 0.996 244 E CA 1.122 57.533 56.400 0.019 0.000 0.832 244 E CB -0.307 29.395 29.700 0.004 0.000 0.756 244 E HN 0.379 nan 8.360 nan 0.000 0.491 245 S N 0.811 116.529 115.700 0.029 0.000 2.440 245 S HA -0.164 4.076 4.470 -0.383 0.000 0.238 245 S C 1.009 175.632 174.600 0.039 0.000 1.010 245 S CA 0.322 58.541 58.200 0.030 0.000 0.972 245 S CB -0.401 62.820 63.200 0.035 0.000 0.774 245 S HN 0.308 nan 8.310 nan 0.000 0.501 246 L N 2.613 123.869 121.223 0.054 0.000 2.407 246 L HA 0.299 4.409 4.340 -0.383 0.000 0.282 246 L C 1.395 178.297 176.870 0.053 0.000 1.110 246 L CA 0.133 55.016 54.840 0.071 0.000 0.863 246 L CB 0.201 42.320 42.059 0.099 0.000 1.207 246 L HN 0.301 nan 8.230 nan 0.000 0.454 247 Q N 3.745 123.574 119.800 0.049 0.000 2.050 247 Q HA -0.135 3.975 4.340 -0.383 0.000 0.202 247 Q C -0.480 175.437 176.000 -0.139 0.000 0.980 247 Q CA 1.566 57.343 55.803 -0.044 0.000 0.840 247 Q CB 0.129 28.850 28.738 -0.027 0.000 0.898 247 Q HN 0.666 nan 8.270 nan 0.000 0.424 248 Y N 0.332 120.645 120.300 0.022 0.000 2.341 248 Y HA 0.350 4.670 4.550 -0.383 0.000 0.338 248 Y C -1.982 173.926 175.900 0.013 0.000 0.965 248 Y CA -2.856 55.254 58.100 0.016 0.000 1.108 248 Y CB 1.325 39.787 38.460 0.002 0.000 1.180 248 Y HN 0.154 nan 8.280 nan 0.000 0.458 249 P HA -0.008 nan 4.420 nan 0.000 0.267 249 P C -0.721 176.592 177.300 0.022 0.000 1.201 249 P CA -0.369 62.747 63.100 0.027 0.000 0.775 249 P CB 0.733 32.381 31.700 -0.086 0.000 0.854 250 K N 0.735 121.135 120.400 -0.000 0.000 2.118 250 K HA 0.364 4.454 4.320 -0.383 0.000 0.267 250 K C -0.699 175.863 176.600 -0.062 0.000 0.991 250 K CA -0.421 55.866 56.287 -0.001 0.000 0.916 250 K CB 0.575 33.104 32.500 0.048 0.000 1.041 250 K HN 0.316 nan 8.250 nan 0.000 0.455 251 T N 2.861 117.362 114.554 -0.087 0.000 2.753 251 T HA 0.211 4.331 4.350 -0.383 0.000 0.297 251 T C -0.569 174.013 174.700 -0.196 0.000 0.981 251 T CA -0.661 61.353 62.100 -0.144 0.000 0.956 251 T CB 0.906 69.700 68.868 -0.125 0.000 0.936 251 T HN 0.296 nan 8.240 nan 0.000 0.463 252 V N 5.716 125.431 119.914 -0.333 0.000 2.488 252 V HA 0.319 4.209 4.120 -0.383 0.000 0.277 252 V C 0.572 176.387 176.094 -0.466 0.000 1.046 252 V CA -0.339 61.706 62.300 -0.424 0.000 0.986 252 V CB 0.290 31.733 31.823 -0.633 0.000 0.989 252 V HN 0.711 nan 8.190 nan 0.000 0.475 253 R N 3.765 124.118 120.500 -0.244 0.000 2.393 253 R HA 0.727 4.837 4.340 -0.383 0.000 0.315 253 R C -1.549 174.713 176.300 -0.064 0.000 0.952 253 R CA -0.617 55.379 56.100 -0.173 0.000 0.842 253 R CB 2.139 32.376 30.300 -0.106 0.000 1.163 253 R HN 0.510 nan 8.270 nan 0.000 0.450 254 V N 4.218 124.091 119.914 -0.070 0.000 2.531 254 V HA 0.321 4.211 4.120 -0.383 0.000 0.301 254 V C -2.365 173.762 176.094 0.056 0.000 1.034 254 V CA -2.481 59.843 62.300 0.040 0.000 0.865 254 V CB 2.135 33.934 31.823 -0.039 0.000 0.995 254 V HN 0.622 nan 8.190 nan 0.000 0.424 255 P HA 0.188 nan 4.420 nan 0.000 0.270 255 P C -1.304 176.101 177.300 0.175 0.000 1.242 255 P CA 0.364 63.562 63.100 0.163 0.000 0.768 255 P CB -0.177 31.660 31.700 0.227 0.000 0.820 256 Y N 6.172 126.450 120.300 -0.037 0.000 2.307 256 Y HA 0.380 4.700 4.550 -0.383 0.000 0.323 256 Y C -2.704 173.175 175.900 -0.036 0.000 1.100 256 Y CA -2.737 55.298 58.100 -0.107 0.000 1.140 256 Y CB 2.061 40.335 38.460 -0.309 0.000 1.159 256 Y HN 0.294 nan 8.280 nan 0.000 0.436 257 P HA 0.252 nan 4.420 nan 0.000 0.287 257 P C -1.128 176.200 177.300 0.047 0.000 1.307 257 P CA -0.188 62.941 63.100 0.048 0.000 0.777 257 P CB 1.445 33.165 31.700 0.033 0.000 0.883 258 K N 1.934 122.455 120.400 0.202 0.000 2.098 258 K HA 0.555 4.645 4.320 -0.383 0.000 0.244 258 K C 0.453 177.157 176.600 0.173 0.000 1.014 258 K CA -0.805 55.630 56.287 0.246 0.000 0.917 258 K CB 0.630 33.307 32.500 0.295 0.000 1.072 258 K HN 0.455 nan 8.250 nan 0.000 0.477 259 A N 0.758 123.710 122.820 0.220 0.000 2.591 259 A HA 0.200 4.290 4.320 -0.383 0.000 0.244 259 A C 1.225 178.859 177.584 0.083 0.000 1.031 259 A CA 1.134 53.289 52.037 0.197 0.000 0.767 259 A CB -1.291 17.906 19.000 0.328 0.000 0.942 259 A HN 0.926 nan 8.150 nan 0.000 0.514 260 G N 0.942 109.779 108.800 0.061 0.000 2.189 260 G HA2 0.076 3.806 3.960 -0.383 0.000 0.267 260 G HA3 0.076 3.806 3.960 -0.383 0.000 0.267 260 G C 0.685 175.602 174.900 0.029 0.000 0.975 260 G CA 0.999 46.109 45.100 0.017 0.000 0.644 260 G HN 2.248 nan 8.290 nan 0.000 0.537 261 A N -0.629 122.224 122.820 0.056 0.000 2.259 261 A HA 0.762 4.852 4.320 -0.383 0.000 0.278 261 A C 1.014 178.631 177.584 0.054 0.000 1.107 261 A CA 0.396 52.468 52.037 0.057 0.000 0.828 261 A CB 0.944 19.991 19.000 0.079 0.000 1.111 261 A HN 1.808 nan 8.150 nan 0.000 0.498 262 V N 1.444 121.390 119.914 0.052 0.000 2.529 262 V HA 0.192 4.082 4.120 -0.383 0.000 0.292 262 V C -0.047 176.090 176.094 0.071 0.000 1.028 262 V CA -0.326 62.005 62.300 0.051 0.000 1.074 262 V CB -0.180 31.669 31.823 0.044 0.000 0.958 262 V HN 0.783 nan 8.190 nan 0.000 0.481 263 N N 7.189 125.929 118.700 0.067 0.000 2.493 263 N HA 0.544 5.054 4.740 -0.383 0.000 0.275 263 N C -2.612 172.980 175.510 0.137 0.000 1.186 263 N CA -1.576 51.536 53.050 0.104 0.000 0.978 263 N CB 1.006 39.543 38.487 0.083 0.000 1.184 263 N HN 0.614 nan 8.380 nan 0.000 0.487 264 P HA 0.021 nan 4.420 nan 0.000 0.266 264 P C -0.438 177.026 177.300 0.273 0.000 1.195 264 P CA 0.025 63.290 63.100 0.275 0.000 0.768 264 P CB 0.151 32.075 31.700 0.373 0.000 0.838 265 T N -0.735 113.956 114.554 0.228 0.000 2.943 265 T HA 0.544 4.665 4.350 -0.383 0.000 0.284 265 T C -0.268 174.574 174.700 0.235 0.000 1.015 265 T CA -0.882 61.318 62.100 0.166 0.000 1.042 265 T CB 1.623 70.544 68.868 0.089 0.000 1.055 265 T HN 0.304 nan 8.240 nan 0.000 0.500 266 V N 1.067 121.105 119.914 0.206 0.000 2.709 266 V HA 0.686 4.577 4.120 -0.383 0.000 0.308 266 V C -1.148 175.045 176.094 0.164 0.000 1.062 266 V CA -0.789 61.614 62.300 0.172 0.000 0.901 266 V CB 1.805 33.802 31.823 0.290 0.000 1.003 266 V HN 1.014 nan 8.190 nan 0.000 0.425 267 K N 4.778 125.205 120.400 0.044 0.000 2.350 267 K HA 0.636 4.726 4.320 -0.383 0.000 0.241 267 K C -1.802 174.721 176.600 -0.128 0.000 0.994 267 K CA -0.571 55.692 56.287 -0.040 0.000 0.839 267 K CB 2.677 35.129 32.500 -0.081 0.000 1.244 267 K HN 0.574 nan 8.250 nan 0.000 0.443 268 F N 1.858 121.479 119.950 -0.549 0.000 2.547 268 F HA 0.539 4.836 4.527 -0.383 0.000 0.316 268 F C -1.604 173.633 175.800 -0.938 0.000 1.121 268 F CA -0.641 57.040 58.000 -0.531 0.000 0.911 268 F CB 0.928 39.786 39.000 -0.238 0.000 1.179 268 F HN 0.385 nan 8.300 nan 0.000 0.443 269 F N 3.922 123.191 119.950 -1.134 0.000 2.620 269 F HA 0.796 5.093 4.527 -0.383 0.000 0.320 269 F C -0.990 174.175 175.800 -1.058 0.000 1.069 269 F CA -1.257 56.160 58.000 -0.972 0.000 0.953 269 F CB 2.088 40.438 39.000 -1.084 0.000 1.322 269 F HN 0.141 nan 8.300 nan 0.000 0.479 270 V N 2.186 121.880 119.914 -0.368 0.000 2.686 270 V HA 0.604 4.494 4.120 -0.383 0.000 0.306 270 V C -1.154 175.002 176.094 0.104 0.000 1.065 270 V CA -0.823 61.343 62.300 -0.223 0.000 0.894 270 V CB 1.922 33.431 31.823 -0.523 0.000 1.004 270 V HN 0.619 nan 8.190 nan 0.000 0.424 271 V N 3.723 123.766 119.914 0.214 0.000 2.628 271 V HA 0.571 4.462 4.120 -0.383 0.000 0.306 271 V C -0.317 175.982 176.094 0.343 0.000 1.045 271 V CA -0.626 61.830 62.300 0.259 0.000 0.905 271 V CB 2.173 34.102 31.823 0.175 0.000 0.997 271 V HN 0.932 nan 8.190 nan 0.000 0.436 272 N N 3.111 121.983 118.700 0.288 0.000 2.406 272 N HA 0.134 4.644 4.740 -0.383 0.000 0.251 272 N C 1.038 176.544 175.510 -0.006 0.000 1.069 272 N CA 0.601 53.716 53.050 0.109 0.000 0.947 272 N CB 1.686 40.212 38.487 0.066 0.000 1.111 272 N HN 0.901 nan 8.380 nan 0.000 0.497 273 T N -0.544 113.994 114.554 -0.025 0.000 3.088 273 T HA 0.037 4.157 4.350 -0.383 0.000 0.259 273 T C 0.633 175.286 174.700 -0.077 0.000 1.122 273 T CA 0.551 62.640 62.100 -0.018 0.000 1.095 273 T CB 0.157 69.113 68.868 0.147 0.000 0.930 273 T HN 0.222 nan 8.240 nan 0.000 0.508 274 D N 1.904 122.233 120.400 -0.119 0.000 2.349 274 D HA 0.093 4.503 4.640 -0.383 0.000 0.224 274 D C 1.146 177.385 176.300 -0.102 0.000 1.029 274 D CA 0.559 54.488 54.000 -0.118 0.000 0.879 274 D CB 0.208 40.915 40.800 -0.156 0.000 0.906 274 D HN 0.661 nan 8.370 nan 0.000 0.528 275 S N -0.602 115.035 115.700 -0.105 0.000 2.977 275 S HA 0.197 4.438 4.470 -0.383 0.000 0.250 275 S C 0.068 174.600 174.600 -0.113 0.000 1.005 275 S CA -0.656 57.496 58.200 -0.079 0.000 1.081 275 S CB 0.276 63.458 63.200 -0.031 0.000 1.018 275 S HN -0.159 nan 8.310 nan 0.000 0.539 276 L N 2.775 123.858 121.223 -0.233 0.000 2.456 276 L HA 0.528 4.638 4.340 -0.383 0.000 0.272 276 L C 0.607 177.280 176.870 -0.329 0.000 1.189 276 L CA 0.530 55.128 54.840 -0.403 0.000 0.846 276 L CB 1.093 42.610 42.059 -0.903 0.000 1.111 276 L HN 0.491 nan 8.230 nan 0.000 0.475 277 S N 0.654 116.269 115.700 -0.143 0.000 2.537 277 S HA 0.415 4.655 4.470 -0.383 0.000 0.301 277 S C 0.858 175.635 174.600 0.296 0.000 1.092 277 S CA -0.482 57.756 58.200 0.064 0.000 1.048 277 S CB 1.339 64.576 63.200 0.062 0.000 1.053 277 S HN 0.609 nan 8.310 nan 0.000 0.501 278 S N 2.151 118.045 115.700 0.324 0.000 2.496 278 S HA -0.019 4.221 4.470 -0.383 0.000 0.224 278 S C 1.550 176.250 174.600 0.165 0.000 0.996 278 S CA 0.895 59.263 58.200 0.280 0.000 0.927 278 S CB -0.003 63.310 63.200 0.189 0.000 0.774 278 S HN 0.853 nan 8.310 nan 0.000 0.524 279 V N -0.725 119.268 119.914 0.132 0.000 3.570 279 V HA 0.320 4.210 4.120 -0.383 0.000 0.257 279 V C 0.699 176.837 176.094 0.074 0.000 1.272 279 V CA 0.520 62.873 62.300 0.088 0.000 1.079 279 V CB -0.193 31.668 31.823 0.063 0.000 0.829 279 V HN 0.418 nan 8.190 nan 0.000 0.454 280 T N -0.962 113.642 114.554 0.083 0.000 2.908 280 T HA 0.519 4.639 4.350 -0.383 0.000 0.290 280 T C -0.415 174.337 174.700 0.086 0.000 1.034 280 T CA -0.666 61.468 62.100 0.057 0.000 1.010 280 T CB 1.771 70.660 68.868 0.035 0.000 1.068 280 T HN 0.176 nan 8.240 nan 0.000 0.481 281 N N 1.041 119.773 118.700 0.053 0.000 2.453 281 N HA 0.429 4.939 4.740 -0.383 0.000 0.253 281 N C 0.167 175.729 175.510 0.087 0.000 1.252 281 N CA -0.095 53.010 53.050 0.092 0.000 0.917 281 N CB 0.650 39.120 38.487 -0.028 0.000 1.117 281 N HN 0.999 nan 8.380 nan 0.000 0.442 282 A N 1.064 123.953 122.820 0.116 0.000 2.440 282 A HA 0.288 4.378 4.320 -0.383 0.000 0.251 282 A C 0.066 177.690 177.584 0.068 0.000 1.089 282 A CA -0.208 51.871 52.037 0.069 0.000 0.779 282 A CB -0.087 18.942 19.000 0.047 0.000 1.022 282 A HN 0.555 nan 8.150 nan 0.000 0.492 283 T N 2.541 117.139 114.554 0.073 0.000 2.729 283 T HA 0.375 4.495 4.350 -0.383 0.000 0.296 283 T C 0.188 174.962 174.700 0.123 0.000 0.928 283 T CA 0.035 62.190 62.100 0.091 0.000 1.045 283 T CB 0.613 69.544 68.868 0.105 0.000 0.902 283 T HN 0.471 nan 8.240 nan 0.000 0.500 284 S N 3.714 119.477 115.700 0.105 0.000 2.422 284 S HA 0.410 4.651 4.470 -0.383 0.000 0.308 284 S C 0.188 174.921 174.600 0.223 0.000 1.097 284 S CA -0.810 57.469 58.200 0.132 0.000 1.099 284 S CB 0.201 63.398 63.200 -0.006 0.000 0.976 284 S HN 0.485 nan 8.310 nan 0.000 0.471 285 I N 3.754 124.474 120.570 0.250 0.000 2.337 285 I HA 0.229 4.170 4.170 -0.383 0.000 0.291 285 I C 0.668 176.902 176.117 0.194 0.000 1.046 285 I CA -0.214 61.244 61.300 0.263 0.000 1.324 285 I CB 0.578 38.801 38.000 0.372 0.000 1.409 285 I HN 0.660 nan 8.210 nan 0.000 0.494 286 Q N 6.177 126.077 119.800 0.166 0.000 2.314 286 Q HA 0.403 4.513 4.340 -0.383 0.000 0.258 286 Q C -0.973 174.975 176.000 -0.087 0.000 0.954 286 Q CA -0.259 55.449 55.803 -0.157 0.000 0.890 286 Q CB 1.068 29.686 28.738 -0.201 0.000 1.210 286 Q HN 0.565 nan 8.270 nan 0.000 0.410 287 I N 4.004 124.507 120.570 -0.111 0.000 2.330 287 I HA 0.191 4.131 4.170 -0.383 0.000 0.289 287 I C 0.148 176.250 176.117 -0.024 0.000 1.001 287 I CA -0.634 60.669 61.300 0.004 0.000 1.193 287 I CB 1.577 39.626 38.000 0.081 0.000 1.345 287 I HN 0.674 nan 8.210 nan 0.000 0.461 288 T N 3.432 117.934 114.554 -0.086 0.000 2.889 288 T HA 0.640 4.760 4.350 -0.383 0.000 0.291 288 T C 0.443 174.933 174.700 -0.349 0.000 0.995 288 T CA -0.866 61.122 62.100 -0.187 0.000 1.092 288 T CB 1.480 70.245 68.868 -0.171 0.000 0.954 288 T HN 0.618 nan 8.240 nan 0.000 0.506 289 A N 4.515 126.876 122.820 -0.765 0.000 2.547 289 A HA 0.429 4.519 4.320 -0.383 0.000 0.233 289 A C -1.951 175.147 177.584 -0.810 0.000 1.067 289 A CA -0.979 50.172 52.037 -1.476 0.000 0.763 289 A CB -1.005 16.762 19.000 -2.054 0.000 1.007 289 A HN 0.755 nan 8.150 nan 0.000 0.506 290 P HA 0.172 nan 4.420 nan 0.000 0.269 290 P C 0.882 177.984 177.300 -0.329 0.000 1.217 290 P CA 0.650 63.529 63.100 -0.368 0.000 0.783 290 P CB 0.481 32.033 31.700 -0.247 0.000 0.898 291 A N 1.925 124.620 122.820 -0.208 0.000 1.986 291 A HA -0.222 3.868 4.320 -0.383 0.000 0.220 291 A C 2.084 179.573 177.584 -0.159 0.000 1.171 291 A CA 2.448 54.385 52.037 -0.166 0.000 0.640 291 A CB -1.812 17.122 19.000 -0.111 0.000 0.811 291 A HN 0.636 nan 8.150 nan 0.000 0.451 292 S N -1.668 113.954 115.700 -0.130 0.000 2.474 292 S HA -0.020 4.220 4.470 -0.383 0.000 0.235 292 S C 1.660 176.193 174.600 -0.111 0.000 0.997 292 S CA 1.373 59.524 58.200 -0.081 0.000 0.949 292 S CB -0.203 63.029 63.200 0.053 0.000 0.766 292 S HN 0.409 nan 8.310 nan 0.000 0.517 293 M N 0.576 120.036 119.600 -0.234 0.000 2.615 293 M HA 0.388 4.638 4.480 -0.383 0.000 0.262 293 M C 1.809 177.844 176.300 -0.442 0.000 1.198 293 M CA 0.553 55.642 55.300 -0.353 0.000 1.165 293 M CB -0.987 31.245 32.600 -0.613 0.000 1.310 293 M HN 0.308 nan 8.290 nan 0.000 0.494 294 L N 1.062 122.032 121.223 -0.421 0.000 2.456 294 L HA -0.114 3.996 4.340 -0.383 0.000 0.224 294 L C 2.234 179.048 176.870 -0.093 0.000 1.148 294 L CA 0.505 55.189 54.840 -0.260 0.000 0.825 294 L CB -0.793 41.122 42.059 -0.239 0.000 0.937 294 L HN 0.294 nan 8.230 nan 0.000 0.450 295 I N -2.601 117.912 120.570 -0.095 0.000 2.493 295 I HA 0.087 4.027 4.170 -0.383 0.000 0.254 295 I C 1.179 177.283 176.117 -0.021 0.000 1.160 295 I CA 0.828 62.093 61.300 -0.059 0.000 1.445 295 I CB -0.479 37.474 38.000 -0.078 0.000 1.086 295 I HN 0.072 nan 8.210 nan 0.000 0.433 296 G N -0.206 108.605 108.800 0.018 0.000 2.782 296 G HA2 0.321 4.051 3.960 -0.383 0.000 0.304 296 G HA3 0.321 4.051 3.960 -0.383 0.000 0.304 296 G C -1.767 173.189 174.900 0.092 0.000 1.315 296 G CA -0.599 44.520 45.100 0.031 0.000 0.791 296 G HN 0.019 nan 8.290 nan 0.000 0.519 297 D N 1.149 121.541 120.400 -0.014 0.000 2.449 297 D HA 0.404 4.814 4.640 -0.383 0.000 0.236 297 D C 0.436 176.661 176.300 -0.124 0.000 1.149 297 D CA 0.858 54.770 54.000 -0.145 0.000 0.878 297 D CB 0.338 41.032 40.800 -0.177 0.000 1.198 297 D HN 0.549 nan 8.370 nan 0.000 0.446 298 H N -1.154 117.770 119.070 -0.244 0.000 2.948 298 H HA 0.429 4.755 4.556 -0.383 0.000 0.315 298 H C -1.387 173.779 175.328 -0.270 0.000 1.360 298 H CA -0.836 55.086 56.048 -0.210 0.000 1.125 298 H CB 0.282 30.047 29.762 0.006 0.000 1.844 298 H HN 0.315 nan 8.280 nan 0.000 0.529 299 Y N 0.082 120.637 120.300 0.425 0.000 2.545 299 Y HA 0.388 4.709 4.550 -0.382 0.000 0.348 299 Y C -0.281 175.924 175.900 0.508 0.000 1.002 299 Y CA -1.141 57.209 58.100 0.417 0.000 1.039 299 Y CB 2.001 40.547 38.460 0.143 0.000 1.271 299 Y HN 0.478 nan 8.280 nan 0.000 0.467 300 L N 3.128 124.711 121.223 0.600 0.000 2.281 300 L HA 0.358 4.468 4.340 -0.383 0.000 0.285 300 L C 0.485 177.382 176.870 0.044 0.000 1.074 300 L CA -0.137 54.677 54.840 -0.044 0.000 0.817 300 L CB 0.399 42.326 42.059 -0.221 0.000 1.168 300 L HN 1.005 nan 8.230 nan 0.000 0.434 301 C N 1.307 120.469 119.300 -0.231 0.000 3.364 301 C HA 0.487 4.717 4.460 -0.383 0.000 0.340 301 C C 0.241 174.966 174.990 -0.443 0.000 1.336 301 C CA -0.354 58.456 59.018 -0.347 0.000 1.778 301 C CB -0.482 27.135 27.740 -0.205 0.000 2.398 301 C HN 0.842 nan 8.230 nan 0.000 0.667 302 D N 0.395 120.580 120.400 -0.357 0.000 2.927 302 D HA 0.446 4.857 4.640 -0.383 0.000 0.219 302 D C -1.804 174.218 176.300 -0.463 0.000 1.248 302 D CA 0.093 53.926 54.000 -0.278 0.000 0.861 302 D CB 2.894 43.545 40.800 -0.248 0.000 1.677 302 D HN 0.068 nan 8.370 nan 0.000 0.511 303 V N 2.765 122.361 119.914 -0.530 0.000 2.443 303 V HA 0.476 4.366 4.120 -0.383 0.000 0.293 303 V C -0.320 175.430 176.094 -0.573 0.000 1.021 303 V CA -0.384 61.385 62.300 -0.884 0.000 0.848 303 V CB 1.734 32.489 31.823 -1.781 0.000 0.998 303 V HN 0.598 nan 8.190 nan 0.000 0.424 304 T N 3.667 117.957 114.554 -0.440 0.000 2.881 304 T HA 0.378 4.498 4.350 -0.383 0.000 0.291 304 T C -0.820 173.737 174.700 -0.240 0.000 0.990 304 T CA -0.423 61.561 62.100 -0.193 0.000 0.976 304 T CB 0.911 69.731 68.868 -0.080 0.000 0.970 304 T HN 0.533 nan 8.240 nan 0.000 0.438 305 W N 2.251 123.499 121.300 -0.087 0.000 2.253 305 W HA 0.468 4.898 4.660 -0.384 0.000 0.322 305 W C 1.149 177.527 176.519 -0.235 0.000 1.342 305 W CA -0.424 56.858 57.345 -0.104 0.000 1.218 305 W CB 0.574 30.059 29.460 0.041 0.000 1.205 305 W HN 0.876 nan 8.180 nan 0.000 0.551 306 A N 2.392 125.062 122.820 -0.250 0.000 1.901 306 A HA 0.155 4.245 4.320 -0.383 0.000 0.210 306 A C 1.003 178.523 177.584 -0.106 0.000 1.208 306 A CA 1.662 53.295 52.037 -0.673 0.000 0.644 306 A CB -0.405 17.768 19.000 -1.378 0.000 0.863 306 A HN 0.536 nan 8.150 nan 0.000 0.454 307 T N -5.716 108.896 114.554 0.097 0.000 2.618 307 T HA 0.345 4.465 4.350 -0.383 0.000 0.286 307 T C 0.209 175.087 174.700 0.296 0.000 1.027 307 T CA -0.369 61.837 62.100 0.176 0.000 1.063 307 T CB 0.582 69.537 68.868 0.145 0.000 1.440 307 T HN -0.029 nan 8.240 nan 0.000 0.505 308 Q N 0.346 120.283 119.800 0.229 0.000 2.291 308 Q HA 0.061 4.171 4.340 -0.383 0.000 0.205 308 Q C 0.869 177.143 176.000 0.457 0.000 0.970 308 Q CA 1.412 57.355 55.803 0.234 0.000 0.876 308 Q CB -0.078 28.756 28.738 0.159 0.000 0.935 308 Q HN 0.808 nan 8.270 nan 0.000 0.455 309 E N -0.229 120.242 120.200 0.452 0.000 2.810 309 E HA 0.191 4.311 4.350 -0.383 0.000 0.214 309 E C -0.234 176.639 176.600 0.456 0.000 0.980 309 E CA -0.162 56.504 56.400 0.444 0.000 1.159 309 E CB 1.068 30.922 29.700 0.257 0.000 1.047 309 E HN -0.043 nan 8.360 nan 0.000 0.484 310 R N 1.615 122.416 120.500 0.502 0.000 2.514 310 R HA 0.508 4.619 4.340 -0.383 0.000 0.296 310 R C -1.767 174.559 176.300 0.043 0.000 1.012 310 R CA -0.473 55.785 56.100 0.264 0.000 0.897 310 R CB 1.282 31.628 30.300 0.075 0.000 1.184 310 R HN 0.064 nan 8.270 nan 0.000 0.440 311 I N 3.273 123.698 120.570 -0.242 0.000 2.509 311 I HA 0.400 4.340 4.170 -0.383 0.000 0.293 311 I C -0.770 175.037 176.117 -0.516 0.000 1.020 311 I CA -0.450 60.428 61.300 -0.704 0.000 1.088 311 I CB 2.105 39.267 38.000 -1.395 0.000 1.267 311 I HN 0.807 nan 8.210 nan 0.000 0.430 312 S N 7.466 122.855 115.700 -0.518 0.000 2.489 312 S HA 0.747 4.987 4.470 -0.383 0.000 0.291 312 S C -0.972 173.320 174.600 -0.514 0.000 1.151 312 S CA -0.690 57.279 58.200 -0.386 0.000 1.082 312 S CB 1.517 64.599 63.200 -0.196 0.000 1.019 312 S HN 0.438 nan 8.310 nan 0.000 0.492 313 L N 2.619 123.547 121.223 -0.493 0.000 2.362 313 L HA 0.506 4.616 4.340 -0.383 0.000 0.275 313 L C -0.084 176.473 176.870 -0.523 0.000 0.998 313 L CA -0.170 54.260 54.840 -0.683 0.000 0.820 313 L CB 1.921 43.498 42.059 -0.804 0.000 1.270 313 L HN 0.777 nan 8.230 nan 0.000 0.415 314 Q N 2.071 121.529 119.800 -0.570 0.000 2.293 314 Q HA 0.498 4.609 4.340 -0.383 0.000 0.261 314 Q C -1.599 174.127 176.000 -0.457 0.000 0.960 314 Q CA -0.451 55.130 55.803 -0.369 0.000 0.882 314 Q CB 1.909 30.492 28.738 -0.258 0.000 1.275 314 Q HN 0.480 nan 8.270 nan 0.000 0.445 315 W N 2.484 123.727 121.300 -0.096 0.000 2.666 315 W HA 0.599 5.029 4.660 -0.382 0.000 0.334 315 W C -0.799 175.740 176.519 0.033 0.000 1.051 315 W CA -0.510 56.827 57.345 -0.014 0.000 1.224 315 W CB 1.183 30.614 29.460 -0.047 0.000 1.405 315 W HN 0.306 nan 8.180 nan 0.000 0.513 316 L N 3.374 124.811 121.223 0.357 0.000 2.362 316 L HA 0.541 4.651 4.340 -0.383 0.000 0.275 316 L C 0.343 177.415 176.870 0.336 0.000 0.998 316 L CA -1.141 53.876 54.840 0.295 0.000 0.820 316 L CB 1.474 43.693 42.059 0.267 0.000 1.270 316 L HN 0.486 nan 8.230 nan 0.000 0.415 317 R N 1.837 122.500 120.500 0.270 0.000 2.738 317 R HA 0.065 4.175 4.340 -0.383 0.000 0.268 317 R C 1.006 177.396 176.300 0.151 0.000 1.062 317 R CA -0.054 56.159 56.100 0.189 0.000 1.158 317 R CB 0.704 31.099 30.300 0.160 0.000 1.046 317 R HN 0.574 nan 8.270 nan 0.000 0.493 318 R N 1.541 122.047 120.500 0.010 0.000 2.096 318 R HA -0.070 4.040 4.340 -0.383 0.000 0.235 318 R C 0.307 176.678 176.300 0.118 0.000 1.127 318 R CA 1.218 57.323 56.100 0.007 0.000 0.968 318 R CB -0.052 30.183 30.300 -0.108 0.000 0.861 318 R HN 0.490 nan 8.270 nan 0.000 0.440 319 I N 2.452 123.068 120.570 0.076 0.000 2.389 319 I HA -0.018 3.923 4.170 -0.383 0.000 0.295 319 I C 0.413 176.591 176.117 0.102 0.000 1.117 319 I CA 0.377 61.719 61.300 0.071 0.000 1.317 319 I CB 1.267 39.293 38.000 0.043 0.000 1.431 319 I HN 0.215 nan 8.210 nan 0.000 0.521 320 Q N 4.965 124.820 119.800 0.091 0.000 2.292 320 Q HA 0.002 4.113 4.340 -0.383 0.000 0.247 320 Q C 0.484 176.552 176.000 0.113 0.000 0.911 320 Q CA -0.044 55.823 55.803 0.107 0.000 0.948 320 Q CB -0.304 28.456 28.738 0.037 0.000 1.093 320 Q HN 0.677 nan 8.270 nan 0.000 0.428 321 N N -0.767 118.004 118.700 0.118 0.000 2.234 321 N HA -0.034 4.476 4.740 -0.383 0.000 0.227 321 N C -1.057 174.558 175.510 0.174 0.000 1.151 321 N CA -0.197 52.917 53.050 0.105 0.000 0.865 321 N CB 0.263 38.788 38.487 0.062 0.000 1.066 321 N HN 0.166 nan 8.380 nan 0.000 0.515 322 Y N 0.964 121.287 120.300 0.038 0.000 2.323 322 Y HA 0.479 4.799 4.550 -0.383 0.000 0.322 322 Y C -1.170 174.764 175.900 0.056 0.000 1.133 322 Y CA -0.857 57.265 58.100 0.036 0.000 1.093 322 Y CB 1.263 39.738 38.460 0.025 0.000 1.203 322 Y HN 0.167 nan 8.280 nan 0.000 0.427 323 S N 3.836 119.410 115.700 -0.210 0.000 2.599 323 S HA 0.931 5.171 4.470 -0.383 0.000 0.294 323 S C -1.833 172.637 174.600 -0.217 0.000 1.094 323 S CA -0.803 57.341 58.200 -0.092 0.000 0.931 323 S CB 2.165 65.347 63.200 -0.030 0.000 1.093 323 S HN 0.434 nan 8.310 nan 0.000 0.488 324 V N 2.510 122.397 119.914 -0.044 0.000 2.569 324 V HA 0.435 4.325 4.120 -0.383 0.000 0.301 324 V C -0.614 175.499 176.094 0.032 0.000 1.044 324 V CA -0.558 61.724 62.300 -0.029 0.000 0.874 324 V CB 1.795 33.634 31.823 0.027 0.000 1.002 324 V HN 1.034 nan 8.190 nan 0.000 0.424 325 M N 4.306 123.894 119.600 -0.021 0.000 2.105 325 M HA 0.400 4.651 4.480 -0.383 0.000 0.350 325 M C -0.813 175.493 176.300 0.011 0.000 1.308 325 M CA -0.154 55.111 55.300 -0.058 0.000 1.108 325 M CB 0.503 33.002 32.600 -0.169 0.000 1.622 325 M HN 0.578 nan 8.290 nan 0.000 0.468 326 D N 5.600 126.008 120.400 0.014 0.000 2.210 326 D HA 0.460 4.870 4.640 -0.383 0.000 0.249 326 D C -0.837 175.434 176.300 -0.048 0.000 1.078 326 D CA 0.043 54.054 54.000 0.018 0.000 0.875 326 D CB 1.373 42.213 40.800 0.066 0.000 1.175 326 D HN 0.600 nan 8.370 nan 0.000 0.440 327 I N 2.596 123.166 120.570 -0.000 0.000 2.382 327 I HA 0.266 4.207 4.170 -0.383 0.000 0.286 327 I C -0.618 175.507 176.117 0.013 0.000 1.002 327 I CA -0.547 60.746 61.300 -0.012 0.000 1.135 327 I CB 1.343 39.390 38.000 0.077 0.000 1.288 327 I HN 0.190 nan 8.210 nan 0.000 0.448 328 c N 3.879 122.478 118.600 -0.001 0.000 2.369 328 c HA 0.539 4.879 4.570 -0.383 0.000 0.322 328 c C -0.476 173.771 174.090 0.261 0.000 1.258 328 c CA -0.829 55.566 56.329 0.111 0.000 1.487 328 c CB 0.956 43.527 42.510 0.103 0.000 2.165 328 c HN 0.578 nan 8.230 nan 0.000 0.483 329 D N 0.592 121.116 120.400 0.207 0.000 2.185 329 D HA 0.302 4.712 4.640 -0.383 0.000 0.247 329 D C -0.590 175.620 176.300 -0.150 0.000 1.027 329 D CA -0.227 53.839 54.000 0.108 0.000 0.861 329 D CB 0.851 41.668 40.800 0.029 0.000 1.202 329 D HN 0.575 nan 8.370 nan 0.000 0.453 330 Y N 1.557 121.408 120.300 -0.748 0.000 2.465 330 Y HA 0.156 4.476 4.550 -0.383 0.000 0.331 330 Y C -0.061 175.530 175.900 -0.515 0.000 1.102 330 Y CA -0.016 57.352 58.100 -1.220 0.000 1.358 330 Y CB 0.617 38.216 38.460 -1.435 0.000 1.213 330 Y HN 0.155 nan 8.280 nan 0.000 0.525 331 D N 6.063 125.810 120.400 -1.088 0.000 2.443 331 D HA 0.094 4.504 4.640 -0.383 0.000 0.221 331 D C 0.663 176.377 176.300 -0.976 0.000 1.097 331 D CA 0.021 53.574 54.000 -0.746 0.000 0.865 331 D CB 0.688 41.233 40.800 -0.425 0.000 1.034 331 D HN 0.835 nan 8.370 nan 0.000 0.511 332 E N 1.191 120.998 120.200 -0.655 0.000 2.130 332 E HA -0.201 3.919 4.350 -0.383 0.000 0.196 332 E C 1.581 178.072 176.600 -0.183 0.000 0.998 332 E CA 1.377 57.589 56.400 -0.314 0.000 0.806 332 E CB 0.311 29.983 29.700 -0.047 0.000 0.738 332 E HN 0.517 nan 8.360 nan 0.000 0.459 333 S N -0.524 115.070 115.700 -0.176 0.000 2.446 333 S HA 0.027 4.267 4.470 -0.383 0.000 0.225 333 S C 2.077 176.614 174.600 -0.104 0.000 1.016 333 S CA 0.618 58.758 58.200 -0.101 0.000 0.943 333 S CB 0.334 63.488 63.200 -0.077 0.000 0.786 333 S HN -0.017 nan 8.310 nan 0.000 0.508 334 S N 0.926 116.522 115.700 -0.173 0.000 2.406 334 S HA 0.389 4.629 4.470 -0.383 0.000 0.224 334 S C 1.629 176.173 174.600 -0.093 0.000 1.030 334 S CA 0.601 58.723 58.200 -0.130 0.000 0.958 334 S CB -0.568 62.538 63.200 -0.157 0.000 0.811 334 S HN 1.085 nan 8.310 nan 0.000 0.489 335 G N 1.792 110.487 108.800 -0.176 0.000 2.143 335 G HA2 -0.247 3.483 3.960 -0.383 0.000 0.248 335 G HA3 -0.247 3.483 3.960 -0.383 0.000 0.248 335 G C 0.036 175.005 174.900 0.114 0.000 0.991 335 G CA 0.154 45.281 45.100 0.045 0.000 0.689 335 G HN 0.450 nan 8.290 nan 0.000 0.522 336 R N -2.115 118.301 120.500 -0.140 0.000 2.950 336 R HA 0.713 4.824 4.340 -0.383 0.000 0.253 336 R C -1.212 174.976 176.300 -0.188 0.000 1.168 336 R CA -0.990 55.116 56.100 0.010 0.000 1.014 336 R CB 1.023 31.342 30.300 0.033 0.000 1.228 336 R HN 0.124 nan 8.270 nan 0.000 0.487 337 W N 0.718 122.036 121.300 0.030 0.000 2.538 337 W HA 0.435 4.865 4.660 -0.383 0.000 0.322 337 W C -0.674 175.833 176.519 -0.021 0.000 1.028 337 W CA -0.482 56.870 57.345 0.011 0.000 1.228 337 W CB 1.257 30.726 29.460 0.015 0.000 1.356 337 W HN 0.197 nan 8.180 nan 0.000 0.452 338 N N 2.600 121.381 118.700 0.135 0.000 2.372 338 N HA 0.430 4.940 4.740 -0.383 0.000 0.285 338 N C -1.382 174.172 175.510 0.074 0.000 1.008 338 N CA -0.484 52.608 53.050 0.070 0.000 0.880 338 N CB 1.579 40.069 38.487 0.005 0.000 1.239 338 N HN 0.223 nan 8.380 nan 0.000 0.484 339 c N 2.809 121.439 118.600 0.051 0.000 2.239 339 c HA 0.438 4.778 4.570 -0.383 0.000 0.323 339 c C 0.883 174.981 174.090 0.013 0.000 1.205 339 c CA -1.135 55.214 56.329 0.034 0.000 1.584 339 c CB -1.195 41.327 42.510 0.020 0.000 2.201 339 c HN 0.549 nan 8.230 nan 0.000 0.475 340 L N 2.829 124.063 121.223 0.018 0.000 2.455 340 L HA 0.063 4.173 4.340 -0.383 0.000 0.272 340 L C 1.507 178.376 176.870 -0.002 0.000 1.174 340 L CA 0.122 54.966 54.840 0.006 0.000 0.869 340 L CB 0.553 42.620 42.059 0.013 0.000 1.130 340 L HN 0.615 nan 8.230 nan 0.000 0.474 341 V N 3.130 123.034 119.914 -0.017 0.000 2.594 341 V HA -0.280 3.610 4.120 -0.383 0.000 0.253 341 V C 2.241 178.315 176.094 -0.033 0.000 1.069 341 V CA 1.978 64.262 62.300 -0.027 0.000 1.082 341 V CB -0.618 31.186 31.823 -0.032 0.000 0.680 341 V HN 1.022 nan 8.190 nan 0.000 0.469 342 A N -0.381 122.423 122.820 -0.026 0.000 2.121 342 A HA -0.120 3.970 4.320 -0.383 0.000 0.218 342 A C 2.229 179.788 177.584 -0.042 0.000 1.154 342 A CA 1.093 53.109 52.037 -0.034 0.000 0.679 342 A CB -0.304 18.685 19.000 -0.019 0.000 0.795 342 A HN 0.512 nan 8.150 nan 0.000 0.458 343 R N -0.473 120.022 120.500 -0.009 0.000 2.362 343 R HA 0.132 4.243 4.340 -0.383 0.000 0.227 343 R C -0.097 176.241 176.300 0.064 0.000 0.905 343 R CA -0.135 55.995 56.100 0.051 0.000 1.067 343 R CB 0.207 30.571 30.300 0.108 0.000 1.078 343 R HN 0.638 nan 8.270 nan 0.000 0.516 344 Q N 0.537 120.318 119.800 -0.031 0.000 2.421 344 Q HA 0.051 4.161 4.340 -0.383 0.000 0.255 344 Q C -0.816 175.067 176.000 -0.194 0.000 1.013 344 Q CA 0.691 56.481 55.803 -0.021 0.000 0.895 344 Q CB 0.642 29.359 28.738 -0.036 0.000 1.271 344 Q HN 0.158 nan 8.270 nan 0.000 0.460 345 H N 0.662 119.717 119.070 -0.024 0.000 2.744 345 H HA 0.398 4.725 4.556 -0.383 0.000 0.339 345 H C -0.956 174.324 175.328 -0.080 0.000 1.004 345 H CA -0.356 55.675 56.048 -0.028 0.000 1.257 345 H CB 0.893 30.621 29.762 -0.057 0.000 1.552 345 H HN 0.428 nan 8.280 nan 0.000 0.522 346 I N 2.326 122.888 120.570 -0.014 0.000 2.353 346 I HA 0.206 4.147 4.170 -0.383 0.000 0.293 346 I C 0.054 176.109 176.117 -0.104 0.000 0.992 346 I CA -0.101 61.109 61.300 -0.149 0.000 1.268 346 I CB 1.154 39.037 38.000 -0.194 0.000 1.387 346 I HN 0.543 nan 8.210 nan 0.000 0.478 347 E N 8.251 128.342 120.200 -0.182 0.000 2.218 347 E HA 0.618 4.738 4.350 -0.383 0.000 0.263 347 E C -1.184 175.324 176.600 -0.153 0.000 0.879 347 E CA -0.704 55.637 56.400 -0.098 0.000 0.762 347 E CB 1.573 31.246 29.700 -0.045 0.000 1.166 347 E HN 0.610 nan 8.360 nan 0.000 0.415 348 M N 0.910 120.464 119.600 -0.077 0.000 2.716 348 M HA 0.646 4.897 4.480 -0.383 0.000 0.278 348 M C -1.263 175.037 176.300 0.000 0.000 1.281 348 M CA -0.886 54.396 55.300 -0.030 0.000 0.814 348 M CB 2.383 34.996 32.600 0.022 0.000 1.719 348 M HN 0.213 nan 8.290 nan 0.000 0.457 349 S N -0.680 115.026 115.700 0.010 0.000 2.575 349 S HA 0.517 4.757 4.470 -0.383 0.000 0.278 349 S C 0.279 174.869 174.600 -0.017 0.000 1.139 349 S CA -0.091 58.096 58.200 -0.021 0.000 0.954 349 S CB 1.839 64.992 63.200 -0.080 0.000 1.054 349 S HN 0.897 nan 8.310 nan 0.000 0.483 350 T N 0.133 114.677 114.554 -0.017 0.000 2.978 350 T HA -0.011 4.110 4.350 -0.383 0.000 0.262 350 T C 1.610 176.286 174.700 -0.039 0.000 1.063 350 T CA 1.297 63.388 62.100 -0.015 0.000 1.140 350 T CB -0.492 68.373 68.868 -0.006 0.000 0.886 350 T HN 0.694 nan 8.240 nan 0.000 0.470 351 T N -1.897 112.622 114.554 -0.058 0.000 3.023 351 T HA 0.609 4.729 4.350 -0.383 0.000 0.253 351 T C 0.893 175.426 174.700 -0.278 0.000 1.038 351 T CA 0.228 62.289 62.100 -0.066 0.000 0.962 351 T CB 0.453 69.342 68.868 0.035 0.000 1.018 351 T HN 0.623 nan 8.240 nan 0.000 0.521 352 G N 0.400 108.902 108.800 -0.498 0.000 2.588 352 G HA2 0.483 4.213 3.960 -0.383 0.000 0.281 352 G HA3 0.483 4.213 3.960 -0.383 0.000 0.281 352 G C -1.593 173.036 174.900 -0.452 0.000 1.223 352 G CA -0.711 43.818 45.100 -0.952 0.000 0.871 352 G HN 0.474 nan 8.290 nan 0.000 0.492 353 W N -0.323 120.711 121.300 -0.444 0.000 2.166 353 W HA 0.723 5.152 4.660 -0.386 0.000 0.364 353 W C 0.075 176.528 176.519 -0.109 0.000 1.344 353 W CA -1.099 56.105 57.345 -0.237 0.000 1.471 353 W CB 0.682 29.962 29.460 -0.301 0.000 1.220 353 W HN 0.474 nan 8.180 nan 0.000 0.666 354 V N 2.859 122.825 119.914 0.088 0.000 2.472 354 V HA 0.804 4.694 4.120 -0.383 0.000 0.290 354 V C 0.381 176.538 176.094 0.104 0.000 1.037 354 V CA 0.313 62.626 62.300 0.023 0.000 0.908 354 V CB 0.338 32.174 31.823 0.021 0.000 0.985 354 V HN 1.749 nan 8.190 nan 0.000 0.454 355 G N 5.935 114.757 108.800 0.036 0.000 2.781 355 G HA2 -0.187 3.543 3.960 -0.383 0.000 0.683 355 G HA3 -0.187 3.543 3.960 -0.383 0.000 0.683 355 G C 0.180 175.163 174.900 0.138 0.000 1.390 355 G CA 0.218 45.370 45.100 0.086 0.000 0.850 355 G HN 0.957 nan 8.290 nan 0.000 0.557 356 R N -0.387 120.190 120.500 0.128 0.000 2.075 356 R HA 0.049 4.159 4.340 -0.383 0.000 0.230 356 R C 2.140 178.436 176.300 -0.006 0.000 1.140 356 R CA 2.309 58.449 56.100 0.067 0.000 0.928 356 R CB -0.182 30.172 30.300 0.089 0.000 0.834 356 R HN 0.493 nan 8.270 nan 0.000 0.429 357 F N -0.564 119.530 119.950 0.240 0.000 2.727 357 F HA 0.245 4.540 4.527 -0.387 0.000 0.302 357 F C 0.487 176.318 175.800 0.051 0.000 1.107 357 F CA -0.422 57.664 58.000 0.144 0.000 1.277 357 F CB 0.626 39.705 39.000 0.132 0.000 1.079 357 F HN -0.039 nan 8.300 nan 0.000 0.594 358 R N -1.390 119.240 120.500 0.216 0.000 2.712 358 R HA 0.429 4.539 4.340 -0.383 0.000 0.272 358 R C -3.320 173.027 176.300 0.079 0.000 1.032 358 R CA -2.061 54.090 56.100 0.085 0.000 0.874 358 R CB 0.006 30.299 30.300 -0.011 0.000 1.256 358 R HN -0.379 nan 8.270 nan 0.000 0.468 359 P HA -0.067 nan 4.420 nan 0.000 0.264 359 P C -0.316 176.994 177.300 0.016 0.000 1.179 359 P CA 0.218 63.325 63.100 0.012 0.000 0.763 359 P CB 0.719 32.399 31.700 -0.033 0.000 0.806 360 S N 1.619 117.343 115.700 0.040 0.000 2.600 360 S HA 0.105 4.345 4.470 -0.383 0.000 0.265 360 S C 0.119 174.734 174.600 0.024 0.000 1.325 360 S CA -0.646 57.596 58.200 0.070 0.000 1.002 360 S CB 0.078 63.344 63.200 0.109 0.000 0.921 360 S HN 0.461 nan 8.310 nan 0.000 0.554 361 E N 3.398 123.633 120.200 0.059 0.000 2.301 361 E HA 0.373 4.493 4.350 -0.383 0.000 0.275 361 E C -2.758 173.846 176.600 0.007 0.000 1.030 361 E CA -2.214 54.181 56.400 -0.007 0.000 0.852 361 E CB 0.464 30.163 29.700 -0.002 0.000 1.060 361 E HN 0.302 nan 8.360 nan 0.000 0.401 362 P HA 0.201 nan 4.420 nan 0.000 0.278 362 P C -0.699 176.522 177.300 -0.131 0.000 1.238 362 P CA -0.191 62.791 63.100 -0.196 0.000 0.794 362 P CB 0.628 31.891 31.700 -0.729 0.000 0.955 363 H N 2.106 121.213 119.070 0.062 0.000 2.792 363 H HA 0.282 4.609 4.556 -0.381 0.000 0.298 363 H C -0.251 175.229 175.328 0.253 0.000 1.042 363 H CA -0.365 55.811 56.048 0.214 0.000 1.300 363 H CB 0.237 30.145 29.762 0.244 0.000 1.431 363 H HN 0.303 nan 8.280 nan 0.000 0.496 364 F N 1.881 122.004 119.950 0.289 0.000 2.418 364 F HA 0.043 4.341 4.527 -0.382 0.000 0.341 364 F C 1.636 177.624 175.800 0.312 0.000 1.120 364 F CA -0.364 57.811 58.000 0.293 0.000 1.232 364 F CB 0.905 40.012 39.000 0.180 0.000 1.175 364 F HN 0.359 nan 8.300 nan 0.000 0.569 365 T N 1.339 116.181 114.554 0.480 0.000 2.860 365 T HA 0.054 4.175 4.350 -0.383 0.000 0.299 365 T C 1.317 176.209 174.700 0.320 0.000 1.045 365 T CA -0.901 61.426 62.100 0.379 0.000 1.071 365 T CB 0.743 69.813 68.868 0.336 0.000 0.985 365 T HN 0.634 nan 8.240 nan 0.000 0.537 366 L N 1.162 122.530 121.223 0.242 0.000 2.089 366 L HA -0.152 3.958 4.340 -0.383 0.000 0.213 366 L C 1.707 178.684 176.870 0.178 0.000 1.079 366 L CA 2.605 57.560 54.840 0.192 0.000 0.758 366 L CB -1.287 40.862 42.059 0.149 0.000 0.891 366 L HN 0.927 nan 8.230 nan 0.000 0.433 367 D N -1.515 118.993 120.400 0.182 0.000 2.349 367 D HA 0.035 4.445 4.640 -0.383 0.000 0.215 367 D C 1.555 177.962 176.300 0.178 0.000 1.016 367 D CA 0.835 54.930 54.000 0.158 0.000 0.870 367 D CB -0.362 40.518 40.800 0.134 0.000 0.917 367 D HN 0.401 nan 8.370 nan 0.000 0.524 368 G N 1.063 110.011 108.800 0.247 0.000 2.168 368 G HA2 -0.335 3.395 3.960 -0.383 0.000 0.257 368 G HA3 -0.335 3.395 3.960 -0.383 0.000 0.257 368 G C 0.824 175.939 174.900 0.359 0.000 0.997 368 G CA 0.364 45.642 45.100 0.298 0.000 0.708 368 G HN 0.352 nan 8.290 nan 0.000 0.520 369 N N -0.049 118.823 118.700 0.286 0.000 2.373 369 N HA 0.173 4.683 4.740 -0.383 0.000 0.181 369 N C 0.966 176.578 175.510 0.170 0.000 1.082 369 N CA 1.097 54.275 53.050 0.213 0.000 0.885 369 N CB 0.524 39.095 38.487 0.141 0.000 0.977 369 N HN 0.894 nan 8.380 nan 0.000 0.462 370 S N -0.326 115.489 115.700 0.191 0.000 2.607 370 S HA 0.770 5.011 4.470 -0.383 0.000 0.273 370 S C -0.934 173.663 174.600 -0.005 0.000 1.148 370 S CA -0.948 57.210 58.200 -0.070 0.000 0.833 370 S CB 1.776 64.876 63.200 -0.167 0.000 1.130 370 S HN 0.117 nan 8.310 nan 0.000 0.470 371 F N -1.760 117.931 119.950 -0.430 0.000 2.668 371 F HA 0.820 5.117 4.527 -0.384 0.000 0.309 371 F C -2.034 173.529 175.800 -0.394 0.000 1.117 371 F CA -1.551 56.154 58.000 -0.491 0.000 0.951 371 F CB 0.602 38.933 39.000 -1.115 0.000 1.323 371 F HN 0.604 nan 8.300 nan 0.000 0.451 372 Y N 1.089 121.530 120.300 0.235 0.000 2.420 372 Y HA 0.703 5.023 4.550 -0.383 0.000 0.334 372 Y C -0.196 175.867 175.900 0.272 0.000 1.094 372 Y CA -0.850 57.380 58.100 0.216 0.000 1.126 372 Y CB 2.103 40.651 38.460 0.146 0.000 1.217 372 Y HN 0.749 nan 8.280 nan 0.000 0.462 373 K N 2.592 123.220 120.400 0.381 0.000 2.570 373 K HA 0.442 4.532 4.320 -0.383 0.000 0.256 373 K C -1.856 174.890 176.600 0.243 0.000 0.939 373 K CA -0.514 55.954 56.287 0.301 0.000 0.833 373 K CB 1.404 34.057 32.500 0.256 0.000 1.318 373 K HN 0.724 nan 8.250 nan 0.000 0.433 374 I N 6.302 126.988 120.570 0.194 0.000 2.517 374 I HA 0.212 4.152 4.170 -0.383 0.000 0.285 374 I C 0.207 176.424 176.117 0.167 0.000 1.106 374 I CA -0.047 61.350 61.300 0.162 0.000 1.402 374 I CB 0.188 38.264 38.000 0.126 0.000 1.399 374 I HN 0.474 nan 8.210 nan 0.000 0.535 375 I N 2.390 123.088 120.570 0.213 0.000 2.894 375 I HA 0.515 4.455 4.170 -0.383 0.000 0.302 375 I C -0.208 176.035 176.117 0.209 0.000 1.188 375 I CA -0.834 60.587 61.300 0.203 0.000 1.014 375 I CB 2.273 40.416 38.000 0.237 0.000 1.242 375 I HN 0.464 nan 8.210 nan 0.000 0.430 376 S N 2.554 118.304 115.700 0.084 0.000 2.528 376 S HA 0.307 4.548 4.470 -0.383 0.000 0.277 376 S C 0.012 174.619 174.600 0.012 0.000 1.297 376 S CA -0.721 57.465 58.200 -0.023 0.000 1.052 376 S CB 0.392 63.505 63.200 -0.144 0.000 0.917 376 S HN 0.823 nan 8.310 nan 0.000 0.492 377 N N 1.865 120.443 118.700 -0.203 0.000 2.332 377 N HA 0.033 4.543 4.740 -0.383 0.000 0.282 377 N C 1.205 176.611 175.510 -0.174 0.000 1.288 377 N CA -0.265 52.542 53.050 -0.405 0.000 0.949 377 N CB -0.051 37.856 38.487 -0.966 0.000 1.108 377 N HN 0.694 nan 8.380 nan 0.000 0.542 378 E N -0.377 119.723 120.200 -0.166 0.000 2.118 378 E HA -0.235 3.885 4.350 -0.383 0.000 0.195 378 E C 0.575 177.117 176.600 -0.096 0.000 0.992 378 E CA 1.500 57.845 56.400 -0.091 0.000 0.804 378 E CB -0.635 29.021 29.700 -0.074 0.000 0.741 378 E HN 0.808 nan 8.360 nan 0.000 0.458 379 E N 0.274 120.412 120.200 -0.103 0.000 2.489 379 E HA 0.161 4.282 4.350 -0.383 0.000 0.193 379 E C 0.612 177.121 176.600 -0.150 0.000 1.057 379 E CA 0.282 56.652 56.400 -0.051 0.000 0.866 379 E CB 0.125 29.864 29.700 0.066 0.000 0.916 379 E HN 0.501 nan 8.360 nan 0.000 0.500 380 G N 1.169 109.842 108.800 -0.212 0.000 2.143 380 G HA2 -0.303 3.428 3.960 -0.383 0.000 0.248 380 G HA3 -0.303 3.428 3.960 -0.383 0.000 0.248 380 G C -0.301 174.293 174.900 -0.510 0.000 0.991 380 G CA 0.073 44.960 45.100 -0.355 0.000 0.689 380 G HN 0.273 nan 8.290 nan 0.000 0.522 381 Y N 0.060 120.218 120.300 -0.236 0.000 2.323 381 Y HA 0.602 4.919 4.550 -0.389 0.000 0.331 381 Y C 1.253 176.970 175.900 -0.305 0.000 1.092 381 Y CA -0.844 57.094 58.100 -0.269 0.000 1.150 381 Y CB 0.990 39.300 38.460 -0.251 0.000 1.200 381 Y HN 0.059 nan 8.280 nan 0.000 0.472 382 R N 3.734 124.098 120.500 -0.227 0.000 2.216 382 R HA 0.285 4.395 4.340 -0.383 0.000 0.332 382 R C -0.787 175.248 176.300 -0.441 0.000 1.056 382 R CA -0.181 55.790 56.100 -0.214 0.000 0.901 382 R CB 0.187 30.412 30.300 -0.125 0.000 1.039 382 R HN 0.675 nan 8.270 nan 0.000 0.456 383 H N 1.685 120.721 119.070 -0.056 0.000 2.941 383 H HA 0.345 4.669 4.556 -0.386 0.000 0.344 383 H C -0.190 175.216 175.328 0.130 0.000 1.235 383 H CA -0.961 55.037 56.048 -0.084 0.000 1.149 383 H CB 1.627 31.216 29.762 -0.288 0.000 1.885 383 H HN 0.320 nan 8.280 nan 0.000 0.558 384 I N 1.313 121.990 120.570 0.177 0.000 2.396 384 I HA 0.046 3.986 4.170 -0.383 0.000 0.289 384 I C 0.407 176.584 176.117 0.100 0.000 1.056 384 I CA 0.125 61.491 61.300 0.110 0.000 1.365 384 I CB 0.268 38.247 38.000 -0.036 0.000 1.407 384 I HN 0.124 nan 8.210 nan 0.000 0.509 385 c N 6.769 125.354 118.600 -0.025 0.000 2.376 385 c HA 0.384 4.724 4.570 -0.383 0.000 0.335 385 c C -0.310 173.662 174.090 -0.197 0.000 1.229 385 c CA -0.581 55.498 56.329 -0.416 0.000 1.867 385 c CB 0.737 42.743 42.510 -0.840 0.000 2.319 385 c HN 0.705 nan 8.230 nan 0.000 0.515 386 Y N 4.117 124.102 120.300 -0.525 0.000 2.331 386 Y HA 0.617 4.937 4.550 -0.384 0.000 0.338 386 Y C -0.875 174.594 175.900 -0.717 0.000 0.976 386 Y CA -0.507 57.242 58.100 -0.584 0.000 1.137 386 Y CB 0.414 38.603 38.460 -0.453 0.000 1.172 386 Y HN 0.667 nan 8.280 nan 0.000 0.478 387 F N 3.529 122.732 119.950 -1.244 0.000 2.507 387 F HA 0.408 4.705 4.527 -0.385 0.000 0.327 387 F C -0.249 174.789 175.800 -1.269 0.000 1.068 387 F CA -0.902 56.346 58.000 -1.254 0.000 0.965 387 F CB 1.753 39.664 39.000 -1.816 0.000 1.192 387 F HN 0.382 nan 8.300 nan 0.000 0.476 388 Q N 1.314 120.775 119.800 -0.564 0.000 2.282 388 Q HA 0.381 4.491 4.340 -0.383 0.000 0.260 388 Q C 0.642 176.595 176.000 -0.078 0.000 0.964 388 Q CA -0.285 55.309 55.803 -0.348 0.000 0.880 388 Q CB 1.641 30.244 28.738 -0.225 0.000 1.286 388 Q HN 0.634 nan 8.270 nan 0.000 0.445 389 I N 1.991 122.580 120.570 0.032 0.000 2.236 389 I HA -0.298 3.642 4.170 -0.383 0.000 0.249 389 I C 0.795 177.094 176.117 0.303 0.000 1.102 389 I CA 1.718 63.166 61.300 0.248 0.000 1.365 389 I CB 0.097 38.250 38.000 0.255 0.000 1.051 389 I HN 0.712 nan 8.210 nan 0.000 0.420 390 D N -0.440 120.050 120.400 0.150 0.000 2.333 390 D HA 0.010 4.420 4.640 -0.383 0.000 0.208 390 D C 0.908 177.233 176.300 0.042 0.000 0.984 390 D CA 0.486 54.537 54.000 0.086 0.000 0.873 390 D CB 0.070 40.895 40.800 0.042 0.000 0.935 390 D HN 0.199 nan 8.370 nan 0.000 0.521 391 K N 1.104 121.546 120.400 0.070 0.000 2.307 391 K HA 0.117 4.207 4.320 -0.383 0.000 0.263 391 K C 1.051 177.677 176.600 0.044 0.000 0.973 391 K CA -0.612 55.679 56.287 0.008 0.000 0.846 391 K CB 1.363 33.835 32.500 -0.048 0.000 1.100 391 K HN -0.367 nan 8.250 nan 0.000 0.438 392 K N 2.763 123.134 120.400 -0.047 0.000 2.152 392 K HA -0.108 3.982 4.320 -0.383 0.000 0.206 392 K C -0.619 175.977 176.600 -0.007 0.000 1.048 392 K CA 1.459 57.715 56.287 -0.051 0.000 0.933 392 K CB 0.098 32.553 32.500 -0.076 0.000 0.721 392 K HN 0.689 nan 8.250 nan 0.000 0.447 393 D N 0.929 121.276 120.400 -0.088 0.000 2.264 393 D HA 0.076 4.486 4.640 -0.383 0.000 0.250 393 D C -0.117 175.961 176.300 -0.370 0.000 1.113 393 D CA -0.258 53.632 54.000 -0.185 0.000 0.871 393 D CB 0.995 41.708 40.800 -0.145 0.000 1.167 393 D HN 0.283 nan 8.370 nan 0.000 0.447 394 c N 0.872 119.088 118.600 -0.640 0.000 2.407 394 c HA 0.908 5.249 4.570 -0.383 0.000 0.366 394 c C 0.329 174.034 174.090 -0.642 0.000 1.213 394 c CA -0.785 54.967 56.329 -0.963 0.000 2.011 394 c CB 1.162 42.465 42.510 -2.012 0.000 2.306 394 c HN 0.617 nan 8.230 nan 0.000 0.527 395 T N -0.124 114.107 114.554 -0.538 0.000 2.824 395 T HA 0.610 4.730 4.350 -0.383 0.000 0.282 395 T C -0.943 173.548 174.700 -0.349 0.000 0.993 395 T CA -0.264 61.653 62.100 -0.306 0.000 0.967 395 T CB 0.493 69.312 68.868 -0.081 0.000 0.960 395 T HN 0.538 nan 8.240 nan 0.000 0.441 396 F N 3.920 123.765 119.950 -0.175 0.000 2.443 396 F HA 0.360 4.660 4.527 -0.380 0.000 0.353 396 F C 1.524 177.178 175.800 -0.243 0.000 1.101 396 F CA -0.891 56.990 58.000 -0.198 0.000 1.226 396 F CB 0.856 39.740 39.000 -0.193 0.000 1.140 396 F HN 0.696 nan 8.300 nan 0.000 0.557 397 I N -1.090 119.396 120.570 -0.141 0.000 4.187 397 I HA 0.238 4.178 4.170 -0.383 0.000 0.326 397 I C 0.310 176.277 176.117 -0.249 0.000 1.302 397 I CA 0.056 61.086 61.300 -0.449 0.000 1.196 397 I CB 0.320 37.742 38.000 -0.963 0.000 1.095 397 I HN 0.465 nan 8.210 nan 0.000 0.411 398 T N 0.536 114.982 114.554 -0.179 0.000 2.908 398 T HA 0.688 4.808 4.350 -0.383 0.000 0.290 398 T C -0.596 173.693 174.700 -0.685 0.000 1.034 398 T CA -0.656 61.291 62.100 -0.255 0.000 1.010 398 T CB 2.420 71.207 68.868 -0.135 0.000 1.068 398 T HN 0.477 nan 8.240 nan 0.000 0.481 399 K N 0.149 120.002 120.400 -0.912 0.000 2.533 399 K HA 0.819 4.909 4.320 -0.383 0.000 0.272 399 K C -0.325 175.604 176.600 -1.118 0.000 0.985 399 K CA -0.927 54.649 56.287 -1.185 0.000 0.876 399 K CB 1.626 33.797 32.500 -0.549 0.000 1.452 399 K HN 1.462 nan 8.250 nan 0.000 0.439 400 G N -0.004 108.228 108.800 -0.947 0.000 2.353 400 G HA2 0.023 3.753 3.960 -0.383 0.000 0.424 400 G HA3 0.023 3.753 3.960 -0.383 0.000 0.424 400 G C -0.669 173.697 174.900 -0.889 0.000 1.320 400 G CA -0.371 44.312 45.100 -0.694 0.000 0.995 400 G HN 0.938 nan 8.290 nan 0.000 0.580 401 T N -0.570 113.560 114.554 -0.707 0.000 3.591 401 T HA 0.560 4.680 4.350 -0.383 0.000 0.232 401 T C 0.254 174.661 174.700 -0.489 0.000 1.116 401 T CA 0.563 62.021 62.100 -1.070 0.000 1.063 401 T CB -0.925 67.620 68.868 -0.538 0.000 1.227 401 T HN 1.450 nan 8.240 nan 0.000 0.685 402 W N -0.417 120.629 121.300 -0.422 0.000 2.923 402 W HA 0.667 5.092 4.660 -0.392 0.000 0.373 402 W C -1.525 174.930 176.519 -0.105 0.000 1.205 402 W CA -0.999 56.271 57.345 -0.125 0.000 1.180 402 W CB 0.749 30.161 29.460 -0.080 0.000 1.477 402 W HN 0.109 nan 8.180 nan 0.000 0.581 403 E N 0.950 121.314 120.200 0.273 0.000 2.314 403 E HA 0.399 4.520 4.350 -0.383 0.000 0.272 403 E C -1.102 175.614 176.600 0.193 0.000 0.884 403 E CA -1.093 55.283 56.400 -0.041 0.000 0.753 403 E CB 3.469 33.204 29.700 0.058 0.000 1.213 403 E HN 0.169 nan 8.360 nan 0.000 0.432 404 V N 4.299 124.197 119.914 -0.027 0.000 2.508 404 V HA -0.010 3.880 4.120 -0.383 0.000 0.281 404 V C 1.296 177.488 176.094 0.164 0.000 1.041 404 V CA 0.124 62.513 62.300 0.148 0.000 1.016 404 V CB 0.386 32.203 31.823 -0.010 0.000 0.984 404 V HN 0.698 nan 8.190 nan 0.000 0.478 405 I N 3.162 123.860 120.570 0.214 0.000 2.429 405 I HA 0.258 4.198 4.170 -0.383 0.000 0.247 405 I C 1.125 177.362 176.117 0.200 0.000 1.099 405 I CA 1.193 62.611 61.300 0.197 0.000 1.422 405 I CB -0.700 37.355 38.000 0.090 0.000 1.112 405 I HN 0.743 nan 8.210 nan 0.000 0.430 406 G N 0.995 109.914 108.800 0.197 0.000 2.755 406 G HA2 0.532 4.262 3.960 -0.383 0.000 0.297 406 G HA3 0.532 4.262 3.960 -0.383 0.000 0.297 406 G C -1.062 173.941 174.900 0.170 0.000 1.441 406 G CA -0.535 44.676 45.100 0.185 0.000 0.964 406 G HN -0.018 nan 8.290 nan 0.000 0.540 407 I N 2.100 122.712 120.570 0.070 0.000 2.379 407 I HA 0.157 4.097 4.170 -0.383 0.000 0.290 407 I C 0.797 176.880 176.117 -0.056 0.000 1.063 407 I CA -0.452 60.795 61.300 -0.088 0.000 1.351 407 I CB 1.448 39.157 38.000 -0.485 0.000 1.410 407 I HN 0.475 nan 8.210 nan 0.000 0.505 408 E N 5.006 125.247 120.200 0.068 0.000 2.166 408 E HA 0.268 4.388 4.350 -0.383 0.000 0.192 408 E C 0.269 176.895 176.600 0.044 0.000 0.967 408 E CA 0.336 56.825 56.400 0.148 0.000 0.840 408 E CB 0.463 30.328 29.700 0.275 0.000 0.795 408 E HN 0.706 nan 8.360 nan 0.000 0.470 409 A N 0.388 123.149 122.820 -0.100 0.000 2.594 409 A HA 0.574 4.664 4.320 -0.383 0.000 0.296 409 A C -1.919 175.628 177.584 -0.063 0.000 1.061 409 A CA -0.662 51.236 52.037 -0.231 0.000 0.689 409 A CB 1.115 19.542 19.000 -0.956 0.000 1.280 409 A HN 0.050 nan 8.150 nan 0.000 0.406 410 L N 1.923 123.148 121.223 0.004 0.000 2.381 410 L HA 0.822 4.932 4.340 -0.383 0.000 0.274 410 L C 0.418 177.335 176.870 0.078 0.000 0.988 410 L CA 0.506 55.375 54.840 0.049 0.000 0.824 410 L CB 1.990 44.117 42.059 0.114 0.000 1.263 410 L HN 1.168 nan 8.230 nan 0.000 0.410 411 T N -0.203 114.406 114.554 0.091 0.000 2.797 411 T HA 0.413 4.534 4.350 -0.383 0.000 0.267 411 T C 1.068 175.821 174.700 0.088 0.000 0.986 411 T CA 0.208 62.368 62.100 0.102 0.000 0.999 411 T CB 0.803 69.756 68.868 0.141 0.000 1.508 411 T HN 0.603 nan 8.240 nan 0.000 0.595 412 S N -0.307 115.439 115.700 0.077 0.000 2.436 412 S HA -0.010 4.231 4.470 -0.383 0.000 0.228 412 S C 1.069 175.661 174.600 -0.014 0.000 1.014 412 S CA 0.728 58.959 58.200 0.052 0.000 0.950 412 S CB -0.471 62.760 63.200 0.051 0.000 0.784 412 S HN 0.698 nan 8.310 nan 0.000 0.504 413 D N -0.430 119.945 120.400 -0.042 0.000 2.394 413 D HA 0.223 4.633 4.640 -0.383 0.000 0.226 413 D C -0.454 175.527 176.300 -0.531 0.000 0.990 413 D CA 0.736 54.586 54.000 -0.250 0.000 0.902 413 D CB 0.206 40.909 40.800 -0.161 0.000 1.038 413 D HN 0.406 nan 8.370 nan 0.000 0.499 414 Y N -0.061 120.179 120.300 -0.101 0.000 2.512 414 Y HA 0.465 4.784 4.550 -0.384 0.000 0.348 414 Y C -0.472 175.258 175.900 -0.283 0.000 0.990 414 Y CA -0.978 56.968 58.100 -0.256 0.000 1.033 414 Y CB 2.385 40.554 38.460 -0.485 0.000 1.259 414 Y HN -0.254 nan 8.280 nan 0.000 0.461 415 L N 2.811 123.919 121.223 -0.192 0.000 2.307 415 L HA 0.603 4.713 4.340 -0.383 0.000 0.284 415 L C -1.784 174.964 176.870 -0.204 0.000 1.023 415 L CA -0.554 54.155 54.840 -0.217 0.000 0.810 415 L CB 0.823 42.643 42.059 -0.399 0.000 1.231 415 L HN 0.612 nan 8.230 nan 0.000 0.423 416 Y N 4.727 124.981 120.300 -0.078 0.000 2.352 416 Y HA 0.521 4.840 4.550 -0.386 0.000 0.339 416 Y C -0.609 175.324 175.900 0.056 0.000 0.992 416 Y CA -0.308 57.756 58.100 -0.060 0.000 1.100 416 Y CB 1.447 39.793 38.460 -0.191 0.000 1.192 416 Y HN 0.545 nan 8.280 nan 0.000 0.458 417 Y N 1.303 121.679 120.300 0.127 0.000 2.588 417 Y HA 0.767 5.082 4.550 -0.393 0.000 0.343 417 Y C -1.749 174.245 175.900 0.156 0.000 1.065 417 Y CA -1.762 56.403 58.100 0.108 0.000 1.038 417 Y CB 1.104 39.604 38.460 0.067 0.000 1.297 417 Y HN 0.292 nan 8.280 nan 0.000 0.467 418 I N 3.346 124.075 120.570 0.264 0.000 2.437 418 I HA 0.590 4.530 4.170 -0.383 0.000 0.298 418 I C -0.012 176.302 176.117 0.327 0.000 0.984 418 I CA -0.238 61.167 61.300 0.175 0.000 1.214 418 I CB 1.525 39.580 38.000 0.091 0.000 1.365 418 I HN 0.890 nan 8.210 nan 0.000 0.469 419 S N 3.692 119.555 115.700 0.272 0.000 2.625 419 S HA 0.400 4.640 4.470 -0.383 0.000 0.271 419 S C -0.341 174.332 174.600 0.121 0.000 1.161 419 S CA -0.823 57.531 58.200 0.257 0.000 0.820 419 S CB 1.799 65.190 63.200 0.318 0.000 1.137 419 S HN 0.600 nan 8.310 nan 0.000 0.470 420 N N -0.055 118.707 118.700 0.103 0.000 2.327 420 N HA 0.130 4.640 4.740 -0.383 0.000 0.231 420 N C 0.596 176.087 175.510 -0.032 0.000 1.130 420 N CA -0.118 52.945 53.050 0.023 0.000 0.845 420 N CB 0.214 38.705 38.487 0.007 0.000 1.073 420 N HN 0.824 nan 8.380 nan 0.000 0.496 421 E N 0.074 120.130 120.200 -0.240 0.000 2.072 421 E HA -0.188 3.932 4.350 -0.383 0.000 0.191 421 E C -0.319 176.142 176.600 -0.232 0.000 0.985 421 E CA 0.204 56.226 56.400 -0.629 0.000 0.801 421 E CB -0.123 28.634 29.700 -1.572 0.000 0.750 421 E HN 0.536 nan 8.360 nan 0.000 0.452 422 Y N 2.079 122.296 120.300 -0.138 0.000 2.729 422 Y HA -0.142 4.188 4.550 -0.366 0.000 0.331 422 Y C 0.116 175.973 175.900 -0.073 0.000 1.208 422 Y CA 0.587 58.644 58.100 -0.073 0.000 1.521 422 Y CB 0.197 38.632 38.460 -0.042 0.000 1.233 422 Y HN 0.068 nan 8.280 nan 0.000 0.539 423 K N 3.561 123.674 120.400 -0.479 0.000 3.209 423 K HA -0.241 3.849 4.320 -0.383 0.000 0.289 423 K C 0.782 177.287 176.600 -0.157 0.000 1.191 423 K CA 0.749 56.800 56.287 -0.393 0.000 0.851 423 K CB -2.103 30.075 32.500 -0.538 0.000 1.242 423 K HN 1.278 nan 8.250 nan 0.000 0.480 424 G N 0.812 109.542 108.800 -0.116 0.000 2.225 424 G HA2 -0.333 3.397 3.960 -0.383 0.000 0.267 424 G HA3 -0.333 3.397 3.960 -0.383 0.000 0.267 424 G C 0.071 174.931 174.900 -0.067 0.000 1.024 424 G CA 0.885 45.962 45.100 -0.040 0.000 0.784 424 G HN 0.361 nan 8.290 nan 0.000 0.507 425 M N 0.164 119.655 119.600 -0.181 0.000 2.111 425 M HA 0.262 4.513 4.480 -0.383 0.000 0.351 425 M C -1.370 174.674 176.300 -0.426 0.000 1.214 425 M CA -1.993 53.035 55.300 -0.454 0.000 1.120 425 M CB 1.645 34.035 32.600 -0.350 0.000 1.443 425 M HN -0.144 nan 8.290 nan 0.000 0.429 426 P HA -0.059 nan 4.420 nan 0.000 0.225 426 P C 1.101 178.275 177.300 -0.211 0.000 1.148 426 P CA 0.884 63.829 63.100 -0.258 0.000 0.779 426 P CB 0.225 31.793 31.700 -0.220 0.000 0.780 427 G N -1.154 107.450 108.800 -0.326 0.000 3.337 427 G HA2 0.308 4.038 3.960 -0.383 0.000 0.246 427 G HA3 0.308 4.038 3.960 -0.383 0.000 0.246 427 G C 0.575 175.477 174.900 0.004 0.000 1.131 427 G CA -0.006 45.022 45.100 -0.120 0.000 0.773 427 G HN 0.360 nan 8.290 nan 0.000 0.544 428 G N -0.063 108.686 108.800 -0.084 0.000 2.441 428 G HA2 0.631 4.361 3.960 -0.383 0.000 0.334 428 G HA3 0.631 4.361 3.960 -0.383 0.000 0.334 428 G C -0.865 173.929 174.900 -0.177 0.000 1.161 428 G CA -0.728 44.350 45.100 -0.037 0.000 0.935 428 G HN 0.057 nan 8.290 nan 0.000 0.488 429 R N 0.700 121.044 120.500 -0.260 0.000 2.514 429 R HA 0.368 4.478 4.340 -0.383 0.000 0.296 429 R C -1.244 175.004 176.300 -0.087 0.000 1.012 429 R CA -0.793 55.114 56.100 -0.321 0.000 0.897 429 R CB 1.785 31.607 30.300 -0.796 0.000 1.184 429 R HN 0.687 nan 8.270 nan 0.000 0.440 430 N N 0.773 119.436 118.700 -0.061 0.000 2.284 430 N HA 0.396 4.906 4.740 -0.383 0.000 0.289 430 N C -1.371 173.961 175.510 -0.296 0.000 1.179 430 N CA -0.824 52.100 53.050 -0.211 0.000 0.774 430 N CB 2.107 40.347 38.487 -0.411 0.000 1.548 430 N HN 0.236 nan 8.380 nan 0.000 0.473 431 L N 2.458 123.387 121.223 -0.489 0.000 2.281 431 L HA 0.455 4.565 4.340 -0.383 0.000 0.285 431 L C -1.558 174.924 176.870 -0.647 0.000 1.074 431 L CA 0.069 54.648 54.840 -0.434 0.000 0.817 431 L CB -0.374 41.428 42.059 -0.429 0.000 1.168 431 L HN 0.505 nan 8.230 nan 0.000 0.434 432 Y N 3.731 123.671 120.300 -0.600 0.000 2.549 432 Y HA 0.581 4.889 4.550 -0.403 0.000 0.339 432 Y C -0.309 175.260 175.900 -0.553 0.000 1.053 432 Y CA -0.840 56.863 58.100 -0.663 0.000 1.105 432 Y CB 1.649 39.507 38.460 -1.004 0.000 1.258 432 Y HN 0.531 nan 8.280 nan 0.000 0.478 433 K N 2.392 122.650 120.400 -0.236 0.000 2.397 433 K HA 0.664 4.754 4.320 -0.383 0.000 0.253 433 K C -1.793 174.784 176.600 -0.039 0.000 0.932 433 K CA -0.685 55.408 56.287 -0.324 0.000 0.795 433 K CB 2.297 34.361 32.500 -0.727 0.000 1.159 433 K HN 0.779 nan 8.250 nan 0.000 0.424 434 I N 2.612 123.225 120.570 0.071 0.000 2.354 434 I HA 0.134 4.074 4.170 -0.383 0.000 0.292 434 I C -0.469 175.728 176.117 0.132 0.000 0.989 434 I CA -0.616 60.780 61.300 0.160 0.000 1.188 434 I CB 1.580 39.692 38.000 0.186 0.000 1.342 434 I HN 0.854 nan 8.210 nan 0.000 0.457 435 Q N 5.906 125.771 119.800 0.108 0.000 2.281 435 Q HA 0.065 4.175 4.340 -0.383 0.000 0.267 435 Q C 0.165 176.078 176.000 -0.145 0.000 1.053 435 Q CA -0.509 55.182 55.803 -0.188 0.000 0.905 435 Q CB 1.112 29.777 28.738 -0.121 0.000 1.195 435 Q HN 0.792 nan 8.270 nan 0.000 0.398 436 L N 3.341 124.418 121.223 -0.243 0.000 2.131 436 L HA -0.172 3.939 4.340 -0.383 0.000 0.210 436 L C 2.298 179.050 176.870 -0.197 0.000 1.092 436 L CA 1.985 56.771 54.840 -0.090 0.000 0.759 436 L CB -1.047 40.945 42.059 -0.111 0.000 0.903 436 L HN 0.793 nan 8.230 nan 0.000 0.435 437 S N -2.137 113.413 115.700 -0.250 0.000 2.522 437 S HA -0.014 4.226 4.470 -0.383 0.000 0.227 437 S C 0.459 174.870 174.600 -0.315 0.000 0.986 437 S CA 0.343 58.388 58.200 -0.258 0.000 0.929 437 S CB -0.106 62.979 63.200 -0.191 0.000 0.769 437 S HN 0.445 nan 8.310 nan 0.000 0.529 438 D N -0.511 119.696 120.400 -0.322 0.000 2.333 438 D HA 0.219 4.630 4.640 -0.383 0.000 0.225 438 D C -0.405 175.806 176.300 -0.149 0.000 1.345 438 D CA -0.621 53.204 54.000 -0.291 0.000 0.971 438 D CB 0.031 40.737 40.800 -0.156 0.000 1.451 438 D HN -0.059 nan 8.370 nan 0.000 0.561 439 Y N 1.334 121.604 120.300 -0.051 0.000 2.574 439 Y HA -0.050 4.271 4.550 -0.382 0.000 0.294 439 Y C 2.568 178.466 175.900 -0.002 0.000 1.142 439 Y CA 1.417 59.499 58.100 -0.031 0.000 1.314 439 Y CB -0.786 37.655 38.460 -0.031 0.000 0.991 439 Y HN 0.538 nan 8.280 nan 0.000 0.555 440 T N -2.353 112.268 114.554 0.113 0.000 3.067 440 T HA -0.035 4.085 4.350 -0.383 0.000 0.261 440 T C 0.781 175.525 174.700 0.074 0.000 1.110 440 T CA 0.136 62.285 62.100 0.081 0.000 1.113 440 T CB -0.195 68.698 68.868 0.042 0.000 0.917 440 T HN 0.070 nan 8.240 nan 0.000 0.499 441 K N 2.698 123.138 120.400 0.067 0.000 2.111 441 K HA 0.370 4.460 4.320 -0.383 0.000 0.249 441 K C -0.941 175.726 176.600 0.112 0.000 1.157 441 K CA -0.176 56.155 56.287 0.073 0.000 1.048 441 K CB 0.638 33.171 32.500 0.056 0.000 1.498 441 K HN 0.229 nan 8.250 nan 0.000 0.344 442 V N 2.202 122.184 119.914 0.114 0.000 2.398 442 V HA 0.221 4.111 4.120 -0.383 0.000 0.286 442 V C 0.201 176.356 176.094 0.100 0.000 1.026 442 V CA -0.725 61.658 62.300 0.138 0.000 0.868 442 V CB 1.599 33.528 31.823 0.176 0.000 0.982 442 V HN 0.501 nan 8.190 nan 0.000 0.443 443 T N 3.341 117.925 114.554 0.050 0.000 2.797 443 T HA 0.265 4.385 4.350 -0.383 0.000 0.279 443 T C -0.318 174.311 174.700 -0.119 0.000 0.991 443 T CA -0.294 61.786 62.100 -0.034 0.000 0.979 443 T CB 1.328 70.141 68.868 -0.092 0.000 0.943 443 T HN 0.772 nan 8.240 nan 0.000 0.444 444 C N 4.917 124.087 119.300 -0.218 0.000 2.394 444 C HA 0.417 4.647 4.460 -0.383 0.000 0.362 444 C C 1.540 176.225 174.990 -0.508 0.000 1.268 444 C CA -0.550 58.106 59.018 -0.605 0.000 1.828 444 C CB -1.823 25.478 27.740 -0.732 0.000 2.442 444 C HN 0.974 nan 8.230 nan 0.000 0.549 445 L N 4.652 125.534 121.223 -0.567 0.000 2.585 445 L HA 0.117 4.227 4.340 -0.383 0.000 0.226 445 L C 1.965 178.510 176.870 -0.540 0.000 1.113 445 L CA 0.639 55.212 54.840 -0.445 0.000 0.876 445 L CB -0.151 41.678 42.059 -0.383 0.000 1.072 445 L HN 0.876 nan 8.230 nan 0.000 0.468 446 S N -3.518 111.757 115.700 -0.708 0.000 2.628 446 S HA -0.008 4.232 4.470 -0.383 0.000 0.246 446 S C 1.697 175.909 174.600 -0.647 0.000 1.062 446 S CA -0.153 57.512 58.200 -0.892 0.000 1.028 446 S CB -0.257 61.993 63.200 -1.584 0.000 0.985 446 S HN 0.267 nan 8.310 nan 0.000 0.551 447 C N 1.895 120.799 119.300 -0.659 0.000 2.403 447 C HA 0.052 4.282 4.460 -0.383 0.000 0.277 447 C C 2.367 177.045 174.990 -0.520 0.000 1.248 447 C CA 1.499 60.055 59.018 -0.769 0.000 1.762 447 C CB -0.950 26.167 27.740 -1.039 0.000 2.014 447 C HN 0.657 nan 8.230 nan 0.000 0.486 448 E N -0.539 119.454 120.200 -0.345 0.000 2.526 448 E HA 0.224 4.344 4.350 -0.383 0.000 0.208 448 E C 1.787 178.324 176.600 -0.104 0.000 0.997 448 E CA -0.095 56.193 56.400 -0.188 0.000 0.961 448 E CB -0.042 29.562 29.700 -0.158 0.000 1.030 448 E HN 0.519 nan 8.360 nan 0.000 0.483 449 L N 0.123 121.285 121.223 -0.101 0.000 2.005 449 L HA -0.011 4.099 4.340 -0.383 0.000 0.207 449 L C 0.977 177.855 176.870 0.012 0.000 1.072 449 L CA 0.884 55.705 54.840 -0.032 0.000 0.744 449 L CB 0.002 42.054 42.059 -0.012 0.000 0.895 449 L HN 0.081 nan 8.230 nan 0.000 0.433 450 N N -0.915 117.811 118.700 0.043 0.000 2.722 450 N HA 0.136 4.647 4.740 -0.383 0.000 0.242 450 N C -2.128 173.400 175.510 0.030 0.000 1.398 450 N CA -1.187 51.878 53.050 0.026 0.000 0.755 450 N CB 1.165 39.662 38.487 0.017 0.000 1.268 450 N HN -0.128 nan 8.380 nan 0.000 0.522 451 P HA -0.117 nan 4.420 nan 0.000 0.221 451 P C 0.980 178.316 177.300 0.061 0.000 1.145 451 P CA 0.982 64.118 63.100 0.059 0.000 0.795 451 P CB 0.883 32.629 31.700 0.077 0.000 0.775 452 E N 0.316 120.535 120.200 0.031 0.000 2.033 452 E HA -0.146 3.974 4.350 -0.383 0.000 0.189 452 E C 2.175 178.772 176.600 -0.005 0.000 0.979 452 E CA 0.808 57.218 56.400 0.017 0.000 0.802 452 E CB 0.075 29.778 29.700 0.005 0.000 0.763 452 E HN 0.178 nan 8.360 nan 0.000 0.449 453 R N -1.024 119.460 120.500 -0.026 0.000 2.280 453 R HA 0.158 4.268 4.340 -0.383 0.000 0.195 453 R C -0.124 176.122 176.300 -0.090 0.000 0.935 453 R CA 0.234 56.296 56.100 -0.062 0.000 1.033 453 R CB 0.113 30.364 30.300 -0.081 0.000 0.964 453 R HN -0.068 nan 8.270 nan 0.000 0.489 454 c N 1.102 119.656 118.600 -0.076 0.000 2.407 454 c HA 0.416 4.756 4.570 -0.383 0.000 0.328 454 c C -0.292 173.738 174.090 -0.100 0.000 1.137 454 c CA -0.554 55.666 56.329 -0.182 0.000 1.390 454 c CB 1.323 43.702 42.510 -0.218 0.000 1.989 454 c HN 0.623 nan 8.230 nan 0.000 0.432 455 Q N 0.639 120.373 119.800 -0.111 0.000 2.040 455 Q HA 0.198 4.308 4.340 -0.383 0.000 0.212 455 Q C -1.009 175.024 176.000 0.055 0.000 0.766 455 Q CA 0.048 55.875 55.803 0.039 0.000 0.967 455 Q CB 1.439 30.229 28.738 0.086 0.000 1.202 455 Q HN 0.770 nan 8.270 nan 0.000 0.446 456 Y N 0.416 120.576 120.300 -0.233 0.000 2.373 456 Y HA 0.404 4.717 4.550 -0.395 0.000 0.327 456 Y C -1.739 174.004 175.900 -0.260 0.000 1.036 456 Y CA -0.963 57.040 58.100 -0.160 0.000 1.265 456 Y CB 0.816 39.200 38.460 -0.126 0.000 1.108 456 Y HN -0.078 nan 8.280 nan 0.000 0.471 457 Y N 2.550 122.769 120.300 -0.137 0.000 2.446 457 Y HA 0.625 4.938 4.550 -0.394 0.000 0.345 457 Y C 0.185 176.019 175.900 -0.111 0.000 0.984 457 Y CA -0.643 57.397 58.100 -0.100 0.000 1.058 457 Y CB 2.293 40.663 38.460 -0.149 0.000 1.220 457 Y HN 0.529 nan 8.280 nan 0.000 0.455 458 S N 1.229 117.013 115.700 0.139 0.000 2.715 458 S HA 0.881 5.121 4.470 -0.383 0.000 0.307 458 S C -1.517 173.140 174.600 0.095 0.000 1.119 458 S CA -0.759 57.502 58.200 0.102 0.000 0.937 458 S CB 1.921 65.194 63.200 0.120 0.000 1.150 458 S HN 0.591 nan 8.310 nan 0.000 0.521 459 V N 0.350 120.313 119.914 0.081 0.000 2.925 459 V HA 0.830 4.720 4.120 -0.383 0.000 0.311 459 V C -1.158 174.994 176.094 0.096 0.000 1.104 459 V CA -0.285 62.028 62.300 0.022 0.000 0.954 459 V CB 2.275 34.014 31.823 -0.139 0.000 1.022 459 V HN 1.140 nan 8.190 nan 0.000 0.427 460 S N 5.404 121.161 115.700 0.096 0.000 2.774 460 S HA 0.654 4.894 4.470 -0.383 0.000 0.297 460 S C -1.131 173.661 174.600 0.320 0.000 1.143 460 S CA -0.392 57.970 58.200 0.271 0.000 1.090 460 S CB 0.342 63.737 63.200 0.326 0.000 1.019 460 S HN 0.503 nan 8.310 nan 0.000 0.482 461 F N 3.194 123.259 119.950 0.191 0.000 2.375 461 F HA 0.410 4.705 4.527 -0.386 0.000 0.333 461 F C 1.483 176.953 175.800 -0.551 0.000 1.104 461 F CA -0.254 57.698 58.000 -0.079 0.000 1.149 461 F CB 1.296 40.199 39.000 -0.163 0.000 1.190 461 F HN 0.633 nan 8.300 nan 0.000 0.533 462 S N 1.529 116.608 115.700 -1.035 0.000 2.598 462 S HA 0.073 4.313 4.470 -0.383 0.000 0.256 462 S C 1.301 175.637 174.600 -0.439 0.000 1.350 462 S CA -0.669 56.657 58.200 -1.457 0.000 0.984 462 S CB 0.665 63.012 63.200 -1.422 0.000 0.930 462 S HN 0.707 nan 8.310 nan 0.000 0.577 463 K N 0.696 120.956 120.400 -0.234 0.000 2.077 463 K HA -0.202 3.888 4.320 -0.383 0.000 0.213 463 K C 1.031 177.598 176.600 -0.054 0.000 1.051 463 K CA 2.291 58.546 56.287 -0.054 0.000 0.929 463 K CB -0.271 32.221 32.500 -0.012 0.000 0.715 463 K HN 0.793 nan 8.250 nan 0.000 0.451 464 E N -1.781 118.359 120.200 -0.099 0.000 2.736 464 E HA 0.371 4.491 4.350 -0.383 0.000 0.208 464 E C -0.716 175.831 176.600 -0.089 0.000 0.996 464 E CA 0.403 56.764 56.400 -0.065 0.000 1.104 464 E CB 1.076 30.751 29.700 -0.041 0.000 1.111 464 E HN 0.348 nan 8.360 nan 0.000 0.455 465 A N 0.965 123.713 122.820 -0.119 0.000 2.799 465 A HA -0.351 3.740 4.320 -0.383 0.000 0.287 465 A C 1.549 179.120 177.584 -0.021 0.000 1.484 465 A CA 1.508 53.495 52.037 -0.083 0.000 0.813 465 A CB -1.577 17.208 19.000 -0.358 0.000 1.009 465 A HN 0.328 nan 8.150 nan 0.000 0.545 466 K N -1.817 118.514 120.400 -0.115 0.000 2.116 466 K HA 0.047 4.137 4.320 -0.383 0.000 0.203 466 K C 0.058 176.424 176.600 -0.390 0.000 1.052 466 K CA 1.399 57.548 56.287 -0.231 0.000 0.952 466 K CB 0.044 32.385 32.500 -0.265 0.000 0.729 466 K HN 0.683 nan 8.250 nan 0.000 0.446 467 Y N -0.747 119.464 120.300 -0.149 0.000 2.562 467 Y HA 0.290 4.609 4.550 -0.384 0.000 0.343 467 Y C -0.742 175.097 175.900 -0.101 0.000 1.025 467 Y CA -1.378 56.648 58.100 -0.122 0.000 1.082 467 Y CB 1.549 39.971 38.460 -0.062 0.000 1.264 467 Y HN -0.036 nan 8.280 nan 0.000 0.478 468 Y N -0.908 119.391 120.300 -0.003 0.000 2.470 468 Y HA 0.503 4.823 4.550 -0.383 0.000 0.341 468 Y C -1.016 174.902 175.900 0.030 0.000 1.021 468 Y CA -1.515 56.437 58.100 -0.248 0.000 1.025 468 Y CB 1.349 39.127 38.460 -1.136 0.000 1.266 468 Y HN 0.595 nan 8.280 nan 0.000 0.448 469 Q N 4.149 124.072 119.800 0.205 0.000 2.256 469 Q HA 0.490 4.600 4.340 -0.383 0.000 0.254 469 Q C -1.630 174.461 176.000 0.150 0.000 0.916 469 Q CA -0.626 55.246 55.803 0.115 0.000 0.932 469 Q CB 1.146 29.904 28.738 0.034 0.000 1.207 469 Q HN 0.983 nan 8.270 nan 0.000 0.426 470 L N 4.362 125.699 121.223 0.190 0.000 2.289 470 L HA 0.489 4.599 4.340 -0.383 0.000 0.285 470 L C -0.006 176.928 176.870 0.107 0.000 1.049 470 L CA -0.439 54.510 54.840 0.182 0.000 0.804 470 L CB 1.315 43.501 42.059 0.212 0.000 1.195 470 L HN 0.586 nan 8.230 nan 0.000 0.428 471 R N 3.508 124.041 120.500 0.056 0.000 2.310 471 R HA 0.385 4.495 4.340 -0.383 0.000 0.324 471 R C -0.958 175.227 176.300 -0.192 0.000 0.955 471 R CA -0.497 55.462 56.100 -0.236 0.000 0.830 471 R CB 1.297 31.447 30.300 -0.250 0.000 1.154 471 R HN 0.733 nan 8.270 nan 0.000 0.458 472 c N 3.772 122.132 118.600 -0.399 0.000 2.307 472 c HA 0.477 4.817 4.570 -0.383 0.000 0.340 472 c C 0.608 174.485 174.090 -0.356 0.000 1.275 472 c CA -0.389 55.590 56.329 -0.583 0.000 1.811 472 c CB 0.928 42.939 42.510 -0.831 0.000 2.372 472 c HN 0.972 nan 8.230 nan 0.000 0.531 473 S N 3.373 118.953 115.700 -0.200 0.000 2.540 473 S HA 0.568 4.808 4.470 -0.383 0.000 0.218 473 S C 0.624 175.179 174.600 -0.075 0.000 0.977 473 S CA 0.387 58.525 58.200 -0.103 0.000 0.918 473 S CB 0.126 63.282 63.200 -0.073 0.000 0.806 473 S HN 1.580 nan 8.310 nan 0.000 0.496 474 G N 1.978 110.717 108.800 -0.102 0.000 2.369 474 G HA2 0.159 3.889 3.960 -0.383 0.000 0.293 474 G HA3 0.159 3.889 3.960 -0.383 0.000 0.293 474 G C -2.941 171.924 174.900 -0.058 0.000 1.301 474 G CA -0.632 44.438 45.100 -0.049 0.000 0.913 474 G HN -0.155 nan 8.290 nan 0.000 0.540 475 P HA 0.123 nan 4.420 nan 0.000 0.229 475 P C 1.321 178.615 177.300 -0.009 0.000 1.160 475 P CA 1.520 64.629 63.100 0.016 0.000 0.777 475 P CB 0.170 31.879 31.700 0.015 0.000 0.814 476 G N 0.415 109.154 108.800 -0.102 0.000 2.563 476 G HA2 0.377 4.108 3.960 -0.383 0.000 0.283 476 G HA3 0.377 4.108 3.960 -0.383 0.000 0.283 476 G C -0.194 174.481 174.900 -0.375 0.000 1.309 476 G CA -0.745 44.220 45.100 -0.224 0.000 1.022 476 G HN 0.044 nan 8.290 nan 0.000 0.501 477 L N 1.009 121.918 121.223 -0.524 0.000 2.514 477 L HA 0.096 4.206 4.340 -0.383 0.000 0.280 477 L C -1.823 174.920 176.870 -0.212 0.000 1.223 477 L CA -1.108 53.436 54.840 -0.494 0.000 0.864 477 L CB 0.206 42.039 42.059 -0.377 0.000 1.118 477 L HN 0.245 nan 8.230 nan 0.000 0.494 478 P HA 0.004 nan 4.420 nan 0.000 0.264 478 P C -0.853 176.406 177.300 -0.068 0.000 1.183 478 P CA 0.054 63.105 63.100 -0.081 0.000 0.763 478 P CB 0.525 32.265 31.700 0.066 0.000 0.807 479 L N 5.317 126.414 121.223 -0.211 0.000 2.376 479 L HA 0.459 4.569 4.340 -0.383 0.000 0.275 479 L C -1.652 175.079 176.870 -0.231 0.000 0.987 479 L CA -0.656 54.116 54.840 -0.113 0.000 0.828 479 L CB 0.865 42.868 42.059 -0.093 0.000 1.249 479 L HN 0.258 nan 8.230 nan 0.000 0.409 480 Y N 3.007 123.275 120.300 -0.054 0.000 2.328 480 Y HA 0.688 5.012 4.550 -0.378 0.000 0.337 480 Y C 0.458 176.245 175.900 -0.189 0.000 0.966 480 Y CA -0.526 57.517 58.100 -0.095 0.000 1.136 480 Y CB 2.006 40.394 38.460 -0.119 0.000 1.170 480 Y HN 0.660 nan 8.280 nan 0.000 0.470 481 T N 1.587 116.112 114.554 -0.049 0.000 2.906 481 T HA 0.656 4.776 4.350 -0.383 0.000 0.295 481 T C -1.304 173.201 174.700 -0.326 0.000 1.061 481 T CA -0.926 61.049 62.100 -0.209 0.000 1.000 481 T CB 1.694 70.462 68.868 -0.166 0.000 1.103 481 T HN 0.552 nan 8.240 nan 0.000 0.486 482 L N 2.565 123.483 121.223 -0.507 0.000 2.322 482 L HA 0.566 4.676 4.340 -0.383 0.000 0.281 482 L C -0.578 175.880 176.870 -0.687 0.000 1.014 482 L CA -0.802 53.779 54.840 -0.431 0.000 0.815 482 L CB 1.187 43.088 42.059 -0.263 0.000 1.247 482 L HN 0.833 nan 8.230 nan 0.000 0.421 483 H N 1.448 120.288 119.070 -0.384 0.000 2.865 483 H HA 0.374 4.701 4.556 -0.381 0.000 0.372 483 H C -0.689 174.400 175.328 -0.397 0.000 1.173 483 H CA -0.830 54.909 56.048 -0.515 0.000 1.147 483 H CB 2.200 31.365 29.762 -0.995 0.000 1.805 483 H HN 0.510 nan 8.280 nan 0.000 0.553 484 S N 0.350 115.973 115.700 -0.127 0.000 2.489 484 S HA 0.187 4.427 4.470 -0.383 0.000 0.291 484 S C 0.816 175.363 174.600 -0.088 0.000 1.151 484 S CA -0.765 57.333 58.200 -0.172 0.000 1.082 484 S CB 1.841 64.935 63.200 -0.176 0.000 1.019 484 S HN 0.576 nan 8.310 nan 0.000 0.492 485 S N 1.871 117.556 115.700 -0.024 0.000 2.402 485 S HA -0.093 4.147 4.470 -0.383 0.000 0.229 485 S C 1.939 176.575 174.600 0.060 0.000 1.021 485 S CA 0.858 59.154 58.200 0.159 0.000 0.974 485 S CB -0.514 62.782 63.200 0.159 0.000 0.800 485 S HN 0.594 nan 8.310 nan 0.000 0.484 486 V N 3.450 123.350 119.914 -0.023 0.000 2.233 486 V HA -0.261 3.629 4.120 -0.383 0.000 0.252 486 V C 1.680 177.774 176.094 -0.000 0.000 1.063 486 V CA 2.180 64.472 62.300 -0.013 0.000 1.032 486 V CB -0.589 31.209 31.823 -0.042 0.000 0.645 486 V HN 0.745 nan 8.190 nan 0.000 0.446 487 N N -2.668 116.028 118.700 -0.006 0.000 2.184 487 N HA 0.055 4.566 4.740 -0.383 0.000 0.234 487 N C -0.099 175.410 175.510 -0.001 0.000 1.282 487 N CA 0.399 53.446 53.050 -0.005 0.000 0.877 487 N CB 0.063 38.548 38.487 -0.005 0.000 1.184 487 N HN 0.481 nan 8.380 nan 0.000 0.510 488 D N 0.728 121.145 120.400 0.028 0.000 2.837 488 D HA -0.187 4.223 4.640 -0.383 0.000 0.230 488 D C -0.487 175.830 176.300 0.029 0.000 1.152 488 D CA 0.885 54.921 54.000 0.061 0.000 0.736 488 D CB -1.167 39.666 40.800 0.055 0.000 1.084 488 D HN 0.729 nan 8.370 nan 0.000 0.429 489 K N -0.053 120.356 120.400 0.015 0.000 2.185 489 K HA 0.485 4.576 4.320 -0.383 0.000 0.271 489 K C 0.697 177.316 176.600 0.032 0.000 1.013 489 K CA -0.351 55.947 56.287 0.018 0.000 0.943 489 K CB 1.126 33.624 32.500 -0.004 0.000 0.998 489 K HN -0.024 nan 8.250 nan 0.000 0.468 490 G N 3.137 111.954 108.800 0.030 0.000 2.360 490 G HA2 0.217 3.947 3.960 -0.383 0.000 0.279 490 G HA3 0.217 3.947 3.960 -0.383 0.000 0.279 490 G C 0.527 175.334 174.900 -0.156 0.000 1.189 490 G CA -0.744 44.281 45.100 -0.127 0.000 0.941 490 G HN 0.661 nan 8.290 nan 0.000 0.445 491 L N 1.975 123.071 121.223 -0.212 0.000 2.023 491 L HA 0.223 4.333 4.340 -0.383 0.000 0.205 491 L C 1.717 178.503 176.870 -0.139 0.000 1.073 491 L CA 1.065 55.829 54.840 -0.128 0.000 0.745 491 L CB -0.277 41.729 42.059 -0.088 0.000 0.900 491 L HN 0.720 nan 8.230 nan 0.000 0.435 492 R N -1.840 118.534 120.500 -0.210 0.000 2.690 492 R HA 0.454 4.565 4.340 -0.383 0.000 0.269 492 R C -1.568 174.592 176.300 -0.233 0.000 1.037 492 R CA -0.899 55.092 56.100 -0.181 0.000 0.877 492 R CB 1.381 31.599 30.300 -0.137 0.000 1.255 492 R HN -0.268 nan 8.270 nan 0.000 0.467 493 V N 3.260 123.068 119.914 -0.175 0.000 2.488 493 V HA 0.122 4.012 4.120 -0.383 0.000 0.277 493 V C 1.355 177.312 176.094 -0.228 0.000 1.046 493 V CA -0.217 61.982 62.300 -0.169 0.000 0.986 493 V CB 0.972 32.736 31.823 -0.099 0.000 0.989 493 V HN 0.656 nan 8.190 nan 0.000 0.475 494 L N 2.668 123.693 121.223 -0.330 0.000 2.145 494 L HA 0.287 4.397 4.340 -0.383 0.000 0.201 494 L C 0.810 177.478 176.870 -0.337 0.000 1.075 494 L CA 0.727 55.202 54.840 -0.608 0.000 0.773 494 L CB 0.178 41.487 42.059 -1.251 0.000 0.936 494 L HN 0.678 nan 8.230 nan 0.000 0.451 495 E N -0.171 119.956 120.200 -0.122 0.000 2.291 495 E HA 0.110 4.230 4.350 -0.383 0.000 0.276 495 E C -1.085 175.576 176.600 0.101 0.000 0.896 495 E CA -0.368 56.056 56.400 0.039 0.000 0.774 495 E CB 1.274 31.016 29.700 0.070 0.000 1.227 495 E HN 0.165 nan 8.360 nan 0.000 0.413 496 D N 3.028 123.461 120.400 0.055 0.000 2.433 496 D HA 0.112 4.522 4.640 -0.383 0.000 0.211 496 D C -0.197 176.122 176.300 0.032 0.000 1.114 496 D CA -0.247 53.774 54.000 0.035 0.000 0.837 496 D CB 0.010 40.810 40.800 0.001 0.000 0.984 496 D HN 0.467 nan 8.370 nan 0.000 0.505 497 N N 0.374 119.108 118.700 0.057 0.000 2.725 497 N HA -0.207 4.303 4.740 -0.383 0.000 0.249 497 N C 0.966 176.489 175.510 0.022 0.000 1.103 497 N CA 0.934 54.013 53.050 0.048 0.000 0.707 497 N CB -1.340 37.175 38.487 0.045 0.000 1.043 497 N HN 0.482 nan 8.380 nan 0.000 0.553 498 S N -1.259 114.454 115.700 0.021 0.000 2.406 498 S HA 0.049 4.289 4.470 -0.383 0.000 0.228 498 S C 2.097 176.715 174.600 0.030 0.000 1.020 498 S CA 0.839 59.048 58.200 0.015 0.000 0.965 498 S CB -0.069 63.139 63.200 0.012 0.000 0.798 498 S HN 0.470 nan 8.310 nan 0.000 0.488 499 A N 1.867 124.712 122.820 0.043 0.000 1.933 499 A HA 0.056 4.146 4.320 -0.383 0.000 0.218 499 A C 2.222 179.852 177.584 0.077 0.000 1.175 499 A CA 1.615 53.685 52.037 0.055 0.000 0.628 499 A CB -0.838 18.195 19.000 0.056 0.000 0.814 499 A HN 0.544 nan 8.150 nan 0.000 0.444 500 L N 0.039 121.311 121.223 0.082 0.000 2.072 500 L HA -0.086 4.024 4.340 -0.383 0.000 0.205 500 L C 1.835 178.753 176.870 0.080 0.000 1.079 500 L CA 2.647 57.555 54.840 0.113 0.000 0.752 500 L CB -0.701 41.427 42.059 0.115 0.000 0.906 500 L HN 0.442 nan 8.230 nan 0.000 0.436 501 D N -0.603 119.814 120.400 0.028 0.000 2.123 501 D HA -0.273 4.137 4.640 -0.383 0.000 0.196 501 D C 2.255 178.567 176.300 0.020 0.000 0.992 501 D CA 1.500 55.498 54.000 -0.004 0.000 0.833 501 D CB -0.011 40.773 40.800 -0.026 0.000 0.954 501 D HN 0.356 nan 8.370 nan 0.000 0.455 502 K N -0.506 119.918 120.400 0.040 0.000 2.057 502 K HA -0.109 3.981 4.320 -0.383 0.000 0.206 502 K C 2.119 178.766 176.600 0.078 0.000 1.050 502 K CA 0.873 57.189 56.287 0.049 0.000 0.935 502 K CB -0.061 32.467 32.500 0.047 0.000 0.715 502 K HN 0.181 nan 8.250 nan 0.000 0.439 503 M N 0.341 120.013 119.600 0.120 0.000 2.117 503 M HA -0.161 4.090 4.480 -0.383 0.000 0.262 503 M C 1.796 178.199 176.300 0.171 0.000 1.065 503 M CA 1.048 56.472 55.300 0.206 0.000 1.114 503 M CB -0.094 32.705 32.600 0.332 0.000 1.361 503 M HN 0.147 nan 8.290 nan 0.000 0.408 504 L N 0.233 121.501 121.223 0.076 0.000 2.201 504 L HA -0.156 3.954 4.340 -0.383 0.000 0.212 504 L C 2.458 179.320 176.870 -0.013 0.000 1.105 504 L CA 1.500 56.320 54.840 -0.033 0.000 0.775 504 L CB -1.176 40.853 42.059 -0.049 0.000 0.913 504 L HN 0.282 nan 8.230 nan 0.000 0.440 505 Q N 0.430 120.240 119.800 0.017 0.000 2.118 505 Q HA -0.229 3.881 4.340 -0.383 0.000 0.211 505 Q C 1.670 177.687 176.000 0.028 0.000 0.998 505 Q CA 1.877 57.691 55.803 0.018 0.000 0.872 505 Q CB -0.799 27.955 28.738 0.028 0.000 0.925 505 Q HN 0.753 nan 8.270 nan 0.000 0.414 506 N N -0.450 118.278 118.700 0.048 0.000 2.322 506 N HA 0.008 4.518 4.740 -0.383 0.000 0.194 506 N C -0.282 175.265 175.510 0.062 0.000 1.126 506 N CA 0.039 53.126 53.050 0.060 0.000 0.845 506 N CB 0.367 38.900 38.487 0.075 0.000 0.976 506 N HN -0.063 nan 8.380 nan 0.000 0.475 507 V N 1.315 121.247 119.914 0.031 0.000 2.472 507 V HA 0.177 4.067 4.120 -0.383 0.000 0.290 507 V C 0.436 176.536 176.094 0.012 0.000 1.037 507 V CA -0.767 61.544 62.300 0.018 0.000 0.908 507 V CB 1.690 33.466 31.823 -0.079 0.000 0.985 507 V HN 0.146 nan 8.190 nan 0.000 0.454 508 Q N 4.430 124.255 119.800 0.042 0.000 2.409 508 Q HA 0.209 4.319 4.340 -0.383 0.000 0.240 508 Q C -0.389 175.598 176.000 -0.022 0.000 1.226 508 Q CA -0.052 55.762 55.803 0.018 0.000 0.895 508 Q CB 0.250 29.035 28.738 0.078 0.000 1.491 508 Q HN 0.530 nan 8.270 nan 0.000 0.509 509 M N 3.976 123.536 119.600 -0.066 0.000 2.274 509 M HA 0.368 4.618 4.480 -0.383 0.000 0.344 509 M C -2.012 174.222 176.300 -0.111 0.000 1.161 509 M CA -2.625 52.625 55.300 -0.084 0.000 1.126 509 M CB 0.293 32.846 32.600 -0.079 0.000 1.522 509 M HN 0.290 nan 8.290 nan 0.000 0.461 510 P HA 0.199 nan 4.420 nan 0.000 0.274 510 P C -0.690 176.531 177.300 -0.132 0.000 1.237 510 P CA -0.298 62.717 63.100 -0.141 0.000 0.793 510 P CB 0.512 32.116 31.700 -0.160 0.000 0.977 511 S N 0.268 115.874 115.700 -0.156 0.000 2.745 511 S HA 0.529 4.769 4.470 -0.383 0.000 0.292 511 S C -0.368 174.139 174.600 -0.155 0.000 1.133 511 S CA -0.786 57.334 58.200 -0.134 0.000 0.998 511 S CB 1.512 64.630 63.200 -0.137 0.000 1.087 511 S HN 0.491 nan 8.310 nan 0.000 0.551 512 K N 0.690 121.024 120.400 -0.111 0.000 2.413 512 K HA 0.334 4.424 4.320 -0.383 0.000 0.257 512 K C -1.280 175.264 176.600 -0.093 0.000 0.946 512 K CA -0.429 55.796 56.287 -0.103 0.000 0.823 512 K CB 1.299 33.765 32.500 -0.058 0.000 1.109 512 K HN 0.726 nan 8.250 nan 0.000 0.427 513 K N 5.421 125.751 120.400 -0.116 0.000 2.211 513 K HA 0.304 4.394 4.320 -0.383 0.000 0.275 513 K C -1.108 175.455 176.600 -0.062 0.000 1.024 513 K CA -0.602 55.635 56.287 -0.084 0.000 0.887 513 K CB 0.889 33.329 32.500 -0.100 0.000 1.084 513 K HN 0.524 nan 8.250 nan 0.000 0.463 514 L N 4.484 125.683 121.223 -0.040 0.000 2.325 514 L HA 0.443 4.553 4.340 -0.383 0.000 0.281 514 L C -1.176 175.688 176.870 -0.010 0.000 1.004 514 L CA -0.235 54.600 54.840 -0.009 0.000 0.823 514 L CB 1.385 43.502 42.059 0.098 0.000 1.236 514 L HN 0.870 nan 8.230 nan 0.000 0.415 515 D N 3.001 123.227 120.400 -0.290 0.000 2.825 515 D HA 0.466 4.876 4.640 -0.383 0.000 0.327 515 D C -1.552 174.408 176.300 -0.567 0.000 1.277 515 D CA -0.036 53.735 54.000 -0.381 0.000 0.950 515 D CB 2.215 42.735 40.800 -0.467 0.000 1.438 515 D HN 0.228 nan 8.370 nan 0.000 0.526 516 F N 0.131 119.684 119.950 -0.662 0.000 2.576 516 F HA 0.702 5.010 4.527 -0.366 0.000 0.313 516 F C -0.372 175.436 175.800 0.013 0.000 1.078 516 F CA -1.088 56.575 58.000 -0.562 0.000 0.921 516 F CB 0.817 39.004 39.000 -1.355 0.000 1.232 516 F HN 0.275 nan 8.300 nan 0.000 0.459 517 I N 0.648 121.435 120.570 0.360 0.000 2.947 517 I HA 0.649 4.589 4.170 -0.383 0.000 0.314 517 I C -1.083 175.246 176.117 0.353 0.000 1.028 517 I CA -1.128 60.345 61.300 0.290 0.000 1.077 517 I CB 2.011 40.183 38.000 0.287 0.000 1.274 517 I HN 0.499 nan 8.210 nan 0.000 0.485 518 I N 4.486 125.208 120.570 0.253 0.000 2.354 518 I HA 0.427 4.367 4.170 -0.383 0.000 0.286 518 I C -0.672 175.578 176.117 0.221 0.000 1.007 518 I CA -0.310 61.135 61.300 0.241 0.000 1.167 518 I CB 1.194 39.299 38.000 0.174 0.000 1.320 518 I HN 0.520 nan 8.210 nan 0.000 0.458 519 L N 6.815 128.232 121.223 0.324 0.000 2.333 519 L HA 0.458 4.568 4.340 -0.383 0.000 0.280 519 L C 0.214 177.217 176.870 0.222 0.000 1.004 519 L CA -0.772 54.215 54.840 0.245 0.000 0.820 519 L CB 1.088 43.289 42.059 0.236 0.000 1.247 519 L HN 0.495 nan 8.230 nan 0.000 0.416 520 N N 2.790 121.560 118.700 0.116 0.000 2.707 520 N HA -0.240 4.271 4.740 -0.383 0.000 0.253 520 N C -0.001 175.559 175.510 0.083 0.000 0.998 520 N CA 1.339 54.437 53.050 0.081 0.000 0.751 520 N CB -1.046 37.479 38.487 0.063 0.000 0.920 520 N HN 0.856 nan 8.380 nan 0.000 0.539 521 E N -3.858 116.389 120.200 0.079 0.000 2.971 521 E HA -0.245 3.875 4.350 -0.383 0.000 0.278 521 E C -0.687 175.934 176.600 0.035 0.000 1.009 521 E CA 1.301 57.734 56.400 0.055 0.000 0.862 521 E CB -1.692 28.028 29.700 0.033 0.000 1.436 521 E HN 0.510 nan 8.360 nan 0.000 0.434 522 T N 0.443 115.030 114.554 0.055 0.000 2.863 522 T HA 0.353 4.473 4.350 -0.383 0.000 0.285 522 T C -0.089 174.519 174.700 -0.154 0.000 1.009 522 T CA -0.915 61.132 62.100 -0.088 0.000 0.989 522 T CB 1.749 70.537 68.868 -0.132 0.000 1.004 522 T HN 0.002 nan 8.240 nan 0.000 0.455 523 K N 1.896 122.119 120.400 -0.294 0.000 2.368 523 K HA 0.396 4.486 4.320 -0.383 0.000 0.282 523 K C -1.100 175.196 176.600 -0.507 0.000 1.035 523 K CA 0.057 56.175 56.287 -0.283 0.000 0.973 523 K CB 0.398 32.627 32.500 -0.451 0.000 0.957 523 K HN 0.414 nan 8.250 nan 0.000 0.474 524 F N 1.978 121.987 119.950 0.099 0.000 2.536 524 F HA 0.274 4.580 4.527 -0.369 0.000 0.322 524 F C -0.595 175.264 175.800 0.100 0.000 1.144 524 F CA -0.811 57.247 58.000 0.096 0.000 0.924 524 F CB 0.954 40.041 39.000 0.145 0.000 1.181 524 F HN 0.436 nan 8.300 nan 0.000 0.438 525 W N 4.023 125.443 121.300 0.200 0.000 2.316 525 W HA 0.488 5.148 4.660 -0.000 0.000 0.321 525 W C -0.538 176.140 176.519 0.265 0.000 1.203 525 W CA -0.503 56.974 57.345 0.220 0.000 1.214 525 W CB 0.616 30.150 29.460 0.123 0.000 1.169 525 W HN 0.446 nan 8.180 nan 0.000 0.561 526 Y N 0.099 120.713 120.300 0.522 0.000 2.581 526 Y HA 0.669 5.003 4.550 -0.360 0.000 0.345 526 Y C -0.840 175.284 175.900 0.372 0.000 1.036 526 Y CA -1.870 56.545 58.100 0.526 0.000 1.042 526 Y CB 1.179 40.114 38.460 0.790 0.000 1.289 526 Y HN 0.568 nan 8.280 nan 0.000 0.471 527 Q N 2.569 122.612 119.800 0.405 0.000 2.423 527 Q HA 0.750 4.860 4.340 -0.383 0.000 0.278 527 Q C -1.751 174.371 176.000 0.203 0.000 1.097 527 Q CA -1.161 54.761 55.803 0.197 0.000 0.809 527 Q CB 3.244 32.058 28.738 0.127 0.000 1.391 527 Q HN 0.882 nan 8.270 nan 0.000 0.428 528 M N 2.354 121.996 119.600 0.069 0.000 2.326 528 M HA 0.429 4.680 4.480 -0.383 0.000 0.306 528 M C -1.227 174.998 176.300 -0.124 0.000 1.054 528 M CA -0.973 54.296 55.300 -0.052 0.000 0.922 528 M CB 2.178 34.698 32.600 -0.134 0.000 1.632 528 M HN 0.600 nan 8.290 nan 0.000 0.436 529 I N 5.078 125.570 120.570 -0.129 0.000 2.301 529 I HA 0.316 4.256 4.170 -0.383 0.000 0.292 529 I C -0.441 175.523 176.117 -0.255 0.000 1.046 529 I CA -0.232 60.967 61.300 -0.169 0.000 1.282 529 I CB -0.039 37.882 38.000 -0.131 0.000 1.409 529 I HN 0.625 nan 8.210 nan 0.000 0.484 530 L N 8.543 129.562 121.223 -0.340 0.000 2.289 530 L HA 0.428 4.538 4.340 -0.383 0.000 0.285 530 L C -2.131 174.547 176.870 -0.320 0.000 1.049 530 L CA -1.754 52.781 54.840 -0.507 0.000 0.804 530 L CB 1.137 42.702 42.059 -0.824 0.000 1.195 530 L HN 0.275 nan 8.230 nan 0.000 0.428 531 P HA 0.027 nan 4.420 nan 0.000 0.268 531 P C -2.422 174.842 177.300 -0.060 0.000 1.208 531 P CA -0.808 62.230 63.100 -0.104 0.000 0.777 531 P CB -0.293 31.399 31.700 -0.014 0.000 0.875 532 P HA -0.122 nan 4.420 nan 0.000 0.266 532 P C -0.096 177.161 177.300 -0.072 0.000 1.193 532 P CA 0.860 63.855 63.100 -0.175 0.000 0.770 532 P CB -0.119 31.477 31.700 -0.172 0.000 0.836 533 H N -1.073 118.033 119.070 0.060 0.000 2.692 533 H HA -0.212 4.115 4.556 -0.382 0.000 0.316 533 H C 0.017 175.398 175.328 0.089 0.000 1.176 533 H CA 0.153 56.238 56.048 0.063 0.000 1.142 533 H CB -2.304 27.485 29.762 0.045 0.000 1.475 533 H HN 0.407 nan 8.280 nan 0.000 0.423 534 F N 2.535 122.468 119.950 -0.027 0.000 2.557 534 F HA 0.117 4.417 4.527 -0.378 0.000 0.384 534 F C 0.575 176.373 175.800 -0.003 0.000 1.057 534 F CA -0.231 57.707 58.000 -0.103 0.000 1.169 534 F CB 0.444 39.263 39.000 -0.303 0.000 1.070 534 F HN 0.172 nan 8.300 nan 0.000 0.554 535 D N 6.217 126.328 120.400 -0.481 0.000 2.392 535 D HA 0.167 4.577 4.640 -0.383 0.000 0.228 535 D C 0.726 176.693 176.300 -0.555 0.000 1.074 535 D CA -0.364 53.420 54.000 -0.359 0.000 0.838 535 D CB 1.267 41.995 40.800 -0.121 0.000 1.067 535 D HN 0.636 nan 8.370 nan 0.000 0.511 536 K N 1.078 121.207 120.400 -0.451 0.000 2.286 536 K HA -0.083 4.007 4.320 -0.383 0.000 0.203 536 K C 1.398 178.012 176.600 0.023 0.000 1.045 536 K CA 0.936 57.130 56.287 -0.156 0.000 0.935 536 K CB 0.214 32.745 32.500 0.052 0.000 0.737 536 K HN 0.260 nan 8.250 nan 0.000 0.460 537 S N 0.430 116.105 115.700 -0.042 0.000 2.522 537 S HA 0.019 4.259 4.470 -0.383 0.000 0.227 537 S C 0.433 175.004 174.600 -0.048 0.000 0.986 537 S CA 0.610 58.796 58.200 -0.023 0.000 0.929 537 S CB 0.143 63.320 63.200 -0.038 0.000 0.769 537 S HN 0.127 nan 8.310 nan 0.000 0.529 538 K N 1.715 122.063 120.400 -0.087 0.000 2.090 538 K HA 0.369 4.459 4.320 -0.383 0.000 0.249 538 K C -0.156 176.370 176.600 -0.123 0.000 0.995 538 K CA -0.216 55.943 56.287 -0.213 0.000 0.914 538 K CB 0.472 32.654 32.500 -0.529 0.000 1.057 538 K HN -0.207 nan 8.250 nan 0.000 0.462 539 K N 2.405 122.676 120.400 -0.215 0.000 2.367 539 K HA 0.261 4.351 4.320 -0.383 0.000 0.263 539 K C -0.967 175.521 176.600 -0.186 0.000 1.000 539 K CA -0.364 55.873 56.287 -0.083 0.000 0.891 539 K CB 0.852 33.307 32.500 -0.075 0.000 1.117 539 K HN 0.487 nan 8.250 nan 0.000 0.443 540 Y N 2.888 123.212 120.300 0.040 0.000 2.387 540 Y HA 0.291 4.613 4.550 -0.380 0.000 0.330 540 Y C -1.711 174.130 175.900 -0.099 0.000 1.133 540 Y CA -2.306 55.792 58.100 -0.004 0.000 1.152 540 Y CB 0.944 39.461 38.460 0.095 0.000 1.215 540 Y HN 0.431 nan 8.280 nan 0.000 0.466 541 P HA 0.135 nan 4.420 nan 0.000 0.272 541 P C -1.107 176.044 177.300 -0.248 0.000 1.223 541 P CA -0.154 62.662 63.100 -0.474 0.000 0.784 541 P CB 1.391 32.377 31.700 -1.189 0.000 0.923 542 L N 2.783 123.907 121.223 -0.165 0.000 2.386 542 L HA 0.545 4.656 4.340 -0.383 0.000 0.271 542 L C -1.187 175.858 176.870 0.291 0.000 0.993 542 L CA -1.167 53.721 54.840 0.080 0.000 0.819 542 L CB 1.800 43.930 42.059 0.118 0.000 1.294 542 L HN 0.156 nan 8.230 nan 0.000 0.414 543 L N 5.164 126.582 121.223 0.324 0.000 2.305 543 L HA 0.513 4.623 4.340 -0.383 0.000 0.284 543 L C -1.255 175.851 176.870 0.394 0.000 1.013 543 L CA -0.323 54.771 54.840 0.422 0.000 0.819 543 L CB 1.586 43.857 42.059 0.354 0.000 1.227 543 L HN 0.612 nan 8.230 nan 0.000 0.417 544 L N 5.095 126.593 121.223 0.459 0.000 2.261 544 L HA 0.392 4.502 4.340 -0.383 0.000 0.289 544 L C -0.552 176.554 176.870 0.395 0.000 1.059 544 L CA 0.159 55.257 54.840 0.430 0.000 0.816 544 L CB 0.572 42.915 42.059 0.474 0.000 1.191 544 L HN 0.620 nan 8.230 nan 0.000 0.431 545 D N 4.429 125.042 120.400 0.355 0.000 2.380 545 D HA 0.186 4.596 4.640 -0.383 0.000 0.230 545 D C -0.973 175.415 176.300 0.147 0.000 1.154 545 D CA 0.086 54.222 54.000 0.227 0.000 0.859 545 D CB 1.192 42.187 40.800 0.325 0.000 1.045 545 D HN 0.303 nan 8.370 nan 0.000 0.495 546 V N 5.680 125.611 119.914 0.029 0.000 2.628 546 V HA 0.388 4.278 4.120 -0.383 0.000 0.306 546 V C -0.716 175.468 176.094 0.150 0.000 1.045 546 V CA -0.425 61.949 62.300 0.123 0.000 0.905 546 V CB 1.703 33.595 31.823 0.114 0.000 0.997 546 V HN 0.661 nan 8.190 nan 0.000 0.436 547 Y N 5.342 125.710 120.300 0.114 0.000 3.059 547 Y HA 0.538 4.857 4.550 -0.386 0.000 0.212 547 Y C 1.595 177.637 175.900 0.235 0.000 0.947 547 Y CA 1.090 59.284 58.100 0.157 0.000 1.571 547 Y CB 0.326 38.859 38.460 0.122 0.000 1.432 547 Y HN 0.904 nan 8.280 nan 0.000 0.450 548 A N 0.774 123.668 122.820 0.123 0.000 2.899 548 A HA -0.167 3.923 4.320 -0.383 0.000 0.257 548 A C 0.881 178.304 177.584 -0.269 0.000 1.335 548 A CA 0.775 52.846 52.037 0.056 0.000 0.924 548 A CB -2.560 16.542 19.000 0.170 0.000 1.105 548 A HN 0.928 nan 8.150 nan 0.000 0.765 549 G N -0.270 108.040 108.800 -0.817 0.000 2.636 549 G HA2 0.460 4.191 3.960 -0.383 0.000 0.246 549 G HA3 0.460 4.191 3.960 -0.383 0.000 0.246 549 G C -1.755 172.837 174.900 -0.513 0.000 1.216 549 G CA -0.408 43.851 45.100 -1.403 0.000 0.854 549 G HN 0.424 nan 8.290 nan 0.000 0.572 550 P HA 0.013 nan 4.420 nan 0.000 0.265 550 P C 0.695 177.877 177.300 -0.198 0.000 1.193 550 P CA 0.131 62.998 63.100 -0.389 0.000 0.765 550 P CB 0.810 31.953 31.700 -0.929 0.000 0.823 551 C N 2.026 121.271 119.300 -0.092 0.000 4.358 551 C HA -0.151 4.079 4.460 -0.383 0.000 0.287 551 C C 1.137 176.183 174.990 0.093 0.000 1.414 551 C CA 1.215 60.146 59.018 -0.145 0.000 1.949 551 C CB -2.689 24.786 27.740 -0.442 0.000 1.274 551 C HN 0.838 nan 8.230 nan 0.000 0.793 552 S N 0.000 115.811 115.700 0.185 0.000 2.632 552 S HA 0.553 4.793 4.470 -0.383 0.000 0.267 552 S C -0.608 174.186 174.600 0.323 0.000 1.276 552 S CA 0.182 58.581 58.200 0.331 0.000 0.998 552 S CB 1.614 65.064 63.200 0.418 0.000 0.953 552 S HN 0.820 nan 8.310 nan 0.000 0.547 553 Q N 0.154 120.166 119.800 0.352 0.000 2.309 553 Q HA 0.359 4.469 4.340 -0.383 0.000 0.254 553 Q C -0.751 175.386 176.000 0.228 0.000 0.938 553 Q CA -0.568 55.422 55.803 0.312 0.000 0.789 553 Q CB 1.035 30.005 28.738 0.388 0.000 1.313 553 Q HN 0.713 nan 8.270 nan 0.000 0.438 554 K N 1.108 121.639 120.400 0.218 0.000 2.374 554 K HA 0.353 4.444 4.320 -0.383 0.000 0.202 554 K C -0.508 176.200 176.600 0.179 0.000 1.040 554 K CA 0.241 56.642 56.287 0.191 0.000 1.085 554 K CB 1.582 34.222 32.500 0.233 0.000 0.873 554 K HN 0.511 nan 8.250 nan 0.000 0.539 555 A N 2.696 125.629 122.820 0.189 0.000 2.273 555 A HA 0.483 4.573 4.320 -0.383 0.000 0.315 555 A C -0.865 176.786 177.584 0.111 0.000 1.256 555 A CA -0.472 51.675 52.037 0.183 0.000 0.851 555 A CB 0.333 19.501 19.000 0.280 0.000 1.172 555 A HN 0.251 nan 8.150 nan 0.000 0.508 556 D N -0.124 120.315 120.400 0.064 0.000 2.665 556 D HA 0.312 4.722 4.640 -0.383 0.000 0.287 556 D C 0.322 176.619 176.300 -0.004 0.000 1.266 556 D CA 0.253 54.271 54.000 0.030 0.000 0.830 556 D CB 0.190 41.001 40.800 0.018 0.000 1.356 556 D HN 0.227 nan 8.370 nan 0.000 0.437 557 T N -2.272 112.296 114.554 0.024 0.000 3.219 557 T HA 0.268 4.388 4.350 -0.383 0.000 0.249 557 T C 0.580 175.235 174.700 -0.074 0.000 1.099 557 T CA -0.259 61.851 62.100 0.017 0.000 0.988 557 T CB -0.632 68.293 68.868 0.095 0.000 0.999 557 T HN 0.294 nan 8.240 nan 0.000 0.550 558 V N 2.625 122.394 119.914 -0.242 0.000 2.555 558 V HA 0.314 4.204 4.120 -0.383 0.000 0.286 558 V C 0.126 176.162 176.094 -0.097 0.000 1.044 558 V CA -1.062 61.066 62.300 -0.287 0.000 1.026 558 V CB -0.058 31.463 31.823 -0.503 0.000 0.981 558 V HN 0.529 nan 8.190 nan 0.000 0.480 559 F N 6.526 126.381 119.950 -0.159 0.000 2.438 559 F HA 0.551 4.845 4.527 -0.388 0.000 0.356 559 F C 0.504 176.246 175.800 -0.096 0.000 1.099 559 F CA -0.107 57.825 58.000 -0.114 0.000 1.185 559 F CB 0.273 39.215 39.000 -0.096 0.000 1.115 559 F HN 0.437 nan 8.300 nan 0.000 0.526 560 R N 6.123 126.113 120.500 -0.849 0.000 2.725 560 R HA 0.585 4.695 4.340 -0.383 0.000 0.277 560 R C -1.670 174.154 176.300 -0.793 0.000 0.987 560 R CA -1.098 54.637 56.100 -0.608 0.000 0.901 560 R CB 2.144 32.271 30.300 -0.290 0.000 1.207 560 R HN 0.654 nan 8.270 nan 0.000 0.463 561 L N 3.761 124.725 121.223 -0.432 0.000 2.316 561 L HA 0.469 4.580 4.340 -0.383 0.000 0.280 561 L C -0.557 176.300 176.870 -0.022 0.000 1.006 561 L CA -0.658 54.011 54.840 -0.285 0.000 0.836 561 L CB 0.847 42.867 42.059 -0.065 0.000 1.221 561 L HN 0.770 nan 8.230 nan 0.000 0.418 562 N N 0.562 119.186 118.700 -0.126 0.000 3.439 562 N HA 0.139 4.649 4.740 -0.383 0.000 0.313 562 N C 0.087 175.240 175.510 -0.595 0.000 1.598 562 N CA -0.892 51.989 53.050 -0.281 0.000 0.830 562 N CB 0.188 38.621 38.487 -0.090 0.000 1.849 562 N HN 0.359 nan 8.380 nan 0.000 0.598 563 W N 0.758 121.459 121.300 -0.998 0.000 2.338 563 W HA 0.179 4.609 4.660 -0.384 0.000 0.304 563 W C 2.084 178.532 176.519 -0.118 0.000 1.212 563 W CA 2.953 59.927 57.345 -0.619 0.000 1.264 563 W CB -1.029 28.256 29.460 -0.292 0.000 1.142 563 W HN 0.719 nan 8.180 nan 0.000 0.512 564 A N -0.509 122.274 122.820 -0.060 0.000 1.978 564 A HA -0.214 3.876 4.320 -0.383 0.000 0.220 564 A C 1.933 179.407 177.584 -0.184 0.000 1.170 564 A CA 2.520 54.468 52.037 -0.148 0.000 0.636 564 A CB -1.273 17.726 19.000 -0.001 0.000 0.810 564 A HN 0.307 nan 8.150 nan 0.000 0.448 565 T N -1.319 113.137 114.554 -0.162 0.000 2.746 565 T HA -0.206 3.914 4.350 -0.383 0.000 0.267 565 T C 1.776 176.485 174.700 0.015 0.000 1.039 565 T CA 1.643 63.621 62.100 -0.203 0.000 1.142 565 T CB -0.515 68.058 68.868 -0.491 0.000 0.866 565 T HN 0.718 nan 8.240 nan 0.000 0.444 566 Y N 1.827 122.207 120.300 0.134 0.000 2.200 566 Y HA -0.040 4.281 4.550 -0.383 0.000 0.290 566 Y C 2.000 177.886 175.900 -0.023 0.000 1.137 566 Y CA 1.025 59.239 58.100 0.190 0.000 1.163 566 Y CB -0.507 38.048 38.460 0.158 0.000 0.988 566 Y HN 0.080 nan 8.280 nan 0.000 0.518 567 L N 0.432 121.183 121.223 -0.787 0.000 2.046 567 L HA -0.192 3.918 4.340 -0.383 0.000 0.208 567 L C 2.896 179.498 176.870 -0.447 0.000 1.077 567 L CA 1.209 55.523 54.840 -0.876 0.000 0.747 567 L CB -0.919 40.679 42.059 -0.768 0.000 0.896 567 L HN 0.431 nan 8.230 nan 0.000 0.432 568 A N -1.138 121.509 122.820 -0.288 0.000 1.872 568 A HA -0.191 3.900 4.320 -0.383 0.000 0.214 568 A C 2.531 180.045 177.584 -0.115 0.000 1.187 568 A CA 1.897 53.828 52.037 -0.177 0.000 0.614 568 A CB -0.613 18.284 19.000 -0.173 0.000 0.826 568 A HN 0.346 nan 8.150 nan 0.000 0.442 569 S N -1.379 114.270 115.700 -0.085 0.000 2.357 569 S HA -0.098 4.142 4.470 -0.383 0.000 0.221 569 S C 2.013 176.633 174.600 0.033 0.000 1.031 569 S CA 2.148 60.350 58.200 0.004 0.000 0.982 569 S CB -0.387 62.869 63.200 0.094 0.000 0.853 569 S HN 0.563 nan 8.310 nan 0.000 0.458 570 T N 1.298 115.855 114.554 0.005 0.000 2.983 570 T HA 0.170 4.291 4.350 -0.383 0.000 0.250 570 T C 1.329 176.017 174.700 -0.020 0.000 1.037 570 T CA 0.618 62.749 62.100 0.051 0.000 1.142 570 T CB -0.106 68.900 68.868 0.230 0.000 0.876 570 T HN 0.302 nan 8.240 nan 0.000 0.455 571 E N 1.271 121.369 120.200 -0.171 0.000 2.474 571 E HA 0.157 4.278 4.350 -0.383 0.000 0.195 571 E C 0.021 176.606 176.600 -0.024 0.000 1.039 571 E CA -0.082 56.256 56.400 -0.104 0.000 0.881 571 E CB -0.390 29.193 29.700 -0.196 0.000 0.970 571 E HN 0.537 nan 8.360 nan 0.000 0.486 572 N N 0.631 119.327 118.700 -0.007 0.000 2.721 572 N HA -0.209 4.302 4.740 -0.383 0.000 0.249 572 N C -0.702 174.880 175.510 0.120 0.000 1.072 572 N CA 0.314 53.421 53.050 0.095 0.000 0.710 572 N CB -1.410 37.188 38.487 0.184 0.000 0.993 572 N HN 0.230 nan 8.380 nan 0.000 0.547 573 I N 0.731 121.304 120.570 0.005 0.000 2.385 573 I HA 0.299 4.239 4.170 -0.383 0.000 0.294 573 I C 0.729 176.822 176.117 -0.040 0.000 0.988 573 I CA -0.767 60.536 61.300 0.006 0.000 1.265 573 I CB 1.044 39.065 38.000 0.035 0.000 1.388 573 I HN 0.039 nan 8.210 nan 0.000 0.480 574 I N 6.158 126.714 120.570 -0.024 0.000 2.416 574 I HA 0.160 4.100 4.170 -0.383 0.000 0.288 574 I C -0.416 175.687 176.117 -0.024 0.000 1.051 574 I CA -0.422 60.826 61.300 -0.087 0.000 1.375 574 I CB 0.880 38.826 38.000 -0.090 0.000 1.407 574 I HN 0.185 nan 8.210 nan 0.000 0.516 575 V N 6.521 126.406 119.914 -0.047 0.000 2.328 575 V HA 0.637 4.527 4.120 -0.383 0.000 0.278 575 V C 0.344 176.465 176.094 0.046 0.000 1.021 575 V CA -0.445 61.879 62.300 0.039 0.000 0.838 575 V CB 1.040 32.879 31.823 0.026 0.000 0.999 575 V HN 0.844 nan 8.190 nan 0.000 0.447 576 A N 3.990 126.875 122.820 0.109 0.000 2.356 576 A HA 0.941 5.031 4.320 -0.383 0.000 0.323 576 A C -0.171 177.583 177.584 0.283 0.000 1.119 576 A CA -0.499 51.602 52.037 0.106 0.000 0.790 576 A CB 1.703 20.616 19.000 -0.145 0.000 1.273 576 A HN 0.683 nan 8.150 nan 0.000 0.452 577 S N -0.109 115.802 115.700 0.352 0.000 2.549 577 S HA 0.761 5.002 4.470 -0.383 0.000 0.280 577 S C -1.503 173.461 174.600 0.607 0.000 1.109 577 S CA -0.301 58.154 58.200 0.425 0.000 0.905 577 S CB 1.326 64.711 63.200 0.307 0.000 1.081 577 S HN 0.744 nan 8.310 nan 0.000 0.477 578 F N 1.821 122.017 119.950 0.409 0.000 2.569 578 F HA 0.482 4.787 4.527 -0.370 0.000 0.312 578 F C -1.556 174.454 175.800 0.350 0.000 1.109 578 F CA -0.748 57.512 58.000 0.433 0.000 0.919 578 F CB 1.565 40.779 39.000 0.357 0.000 1.211 578 F HN 0.400 nan 8.300 nan 0.000 0.446 579 D N 4.617 124.833 120.400 -0.307 0.000 2.472 579 D HA 0.357 4.767 4.640 -0.383 0.000 0.234 579 D C 0.361 176.456 176.300 -0.343 0.000 1.088 579 D CA 0.045 53.969 54.000 -0.127 0.000 0.882 579 D CB 1.519 42.378 40.800 0.099 0.000 1.037 579 D HN 0.759 nan 8.370 nan 0.000 0.520 580 G N 1.261 109.947 108.800 -0.190 0.000 2.714 580 G HA2 0.263 3.993 3.960 -0.383 0.000 0.197 580 G HA3 0.263 3.993 3.960 -0.383 0.000 0.197 580 G C 0.243 175.202 174.900 0.100 0.000 1.449 580 G CA -0.632 44.400 45.100 -0.115 0.000 1.065 580 G HN 0.273 nan 8.290 nan 0.000 0.575 581 R N -0.732 119.788 120.500 0.032 0.000 2.679 581 R HA 0.379 4.490 4.340 -0.383 0.000 0.268 581 R C 1.275 177.688 176.300 0.189 0.000 1.044 581 R CA 1.344 57.551 56.100 0.179 0.000 1.105 581 R CB 0.524 30.905 30.300 0.135 0.000 0.989 581 R HN 1.016 nan 8.270 nan 0.000 0.447 582 G N 0.940 109.851 108.800 0.185 0.000 2.241 582 G HA2 -0.345 3.386 3.960 -0.383 0.000 0.244 582 G HA3 -0.345 3.386 3.960 -0.383 0.000 0.244 582 G C 0.188 175.145 174.900 0.094 0.000 0.998 582 G CA 0.283 45.471 45.100 0.146 0.000 0.621 582 G HN 0.738 nan 8.290 nan 0.000 0.519 583 S N 0.344 116.112 115.700 0.114 0.000 2.600 583 S HA 0.642 4.882 4.470 -0.383 0.000 0.265 583 S C 0.827 175.441 174.600 0.024 0.000 1.325 583 S CA 0.533 58.793 58.200 0.100 0.000 1.002 583 S CB 1.740 65.031 63.200 0.152 0.000 0.921 583 S HN 1.705 nan 8.310 nan 0.000 0.554 584 G N -0.965 107.810 108.800 -0.041 0.000 2.601 584 G HA2 0.520 4.250 3.960 -0.383 0.000 0.317 584 G HA3 0.520 4.250 3.960 -0.383 0.000 0.317 584 G C -0.942 173.813 174.900 -0.241 0.000 1.246 584 G CA -1.091 43.801 45.100 -0.346 0.000 1.012 584 G HN 1.055 nan 8.290 nan 0.000 0.494 585 Y N -2.392 117.931 120.300 0.037 0.000 4.490 585 Y HA -0.231 4.085 4.550 -0.391 0.000 0.233 585 Y C 1.261 177.189 175.900 0.046 0.000 1.101 585 Y CA 0.988 59.112 58.100 0.041 0.000 2.010 585 Y CB -2.080 36.417 38.460 0.061 0.000 1.622 585 Y HN 0.522 nan 8.280 nan 0.000 0.675 586 Q N -0.033 119.804 119.800 0.061 0.000 2.064 586 Q HA 0.492 4.603 4.340 -0.383 0.000 0.213 586 Q C 0.851 176.803 176.000 -0.079 0.000 0.779 586 Q CA 0.171 56.030 55.803 0.093 0.000 1.032 586 Q CB 1.890 30.670 28.738 0.069 0.000 1.203 586 Q HN 0.609 nan 8.270 nan 0.000 0.457 587 G N 0.766 109.390 108.800 -0.293 0.000 2.662 587 G HA2 -0.184 3.547 3.960 -0.383 0.000 0.686 587 G HA3 -0.184 3.547 3.960 -0.383 0.000 0.686 587 G C -0.500 174.052 174.900 -0.580 0.000 1.271 587 G CA -0.474 44.180 45.100 -0.744 0.000 0.816 587 G HN 0.084 nan 8.290 nan 0.000 0.608 588 D N 0.184 120.193 120.400 -0.653 0.000 2.219 588 D HA -0.061 4.349 4.640 -0.383 0.000 0.205 588 D C 2.365 178.382 176.300 -0.473 0.000 0.970 588 D CA 1.599 55.162 54.000 -0.729 0.000 0.851 588 D CB 0.045 40.390 40.800 -0.760 0.000 0.943 588 D HN 0.654 nan 8.370 nan 0.000 0.488 589 K N 0.995 121.189 120.400 -0.344 0.000 2.097 589 K HA -0.087 4.003 4.320 -0.383 0.000 0.206 589 K C 1.884 178.431 176.600 -0.089 0.000 1.049 589 K CA 1.094 57.276 56.287 -0.175 0.000 0.933 589 K CB -0.487 31.920 32.500 -0.155 0.000 0.717 589 K HN 0.142 nan 8.250 nan 0.000 0.442 590 I N 0.142 120.646 120.570 -0.110 0.000 2.235 590 I HA -0.144 3.796 4.170 -0.383 0.000 0.241 590 I C 2.730 178.866 176.117 0.031 0.000 1.085 590 I CA 1.338 62.648 61.300 0.017 0.000 1.378 590 I CB -0.201 37.821 38.000 0.036 0.000 1.076 590 I HN 0.275 nan 8.210 nan 0.000 0.415 591 M N 0.150 119.695 119.600 -0.091 0.000 2.086 591 M HA -0.241 4.009 4.480 -0.383 0.000 0.261 591 M C 2.079 178.451 176.300 0.120 0.000 1.067 591 M CA 1.886 57.158 55.300 -0.047 0.000 1.116 591 M CB -0.267 32.186 32.600 -0.246 0.000 1.348 591 M HN 0.261 nan 8.290 nan 0.000 0.407 592 H N -0.211 118.778 119.070 -0.135 0.000 2.556 592 H HA 0.220 4.549 4.556 -0.378 0.000 0.268 592 H C 1.887 177.253 175.328 0.063 0.000 0.996 592 H CA 0.734 56.709 56.048 -0.122 0.000 1.157 592 H CB -0.621 28.973 29.762 -0.280 0.000 1.355 592 H HN 0.485 nan 8.280 nan 0.000 0.597 593 A N 1.274 124.225 122.820 0.218 0.000 2.032 593 A HA -0.165 3.926 4.320 -0.383 0.000 0.221 593 A C 1.803 179.607 177.584 0.365 0.000 1.165 593 A CA 1.721 53.925 52.037 0.278 0.000 0.645 593 A CB -0.598 18.551 19.000 0.249 0.000 0.807 593 A HN 0.375 nan 8.150 nan 0.000 0.453 594 I N -2.424 118.315 120.570 0.281 0.000 3.904 594 I HA 0.177 4.117 4.170 -0.383 0.000 0.333 594 I C 0.283 176.464 176.117 0.106 0.000 1.361 594 I CA -1.166 60.227 61.300 0.155 0.000 1.116 594 I CB -1.288 36.783 38.000 0.118 0.000 1.028 594 I HN 0.227 nan 8.210 nan 0.000 0.398 595 N N 3.074 121.893 118.700 0.197 0.000 2.365 595 N HA -0.065 4.446 4.740 -0.383 0.000 0.265 595 N C 0.204 175.718 175.510 0.006 0.000 1.288 595 N CA 0.270 53.427 53.050 0.178 0.000 0.869 595 N CB 0.243 38.797 38.487 0.112 0.000 1.071 595 N HN 0.361 nan 8.380 nan 0.000 0.480 596 R N 0.806 121.286 120.500 -0.034 0.000 3.963 596 R HA -0.190 3.920 4.340 -0.383 0.000 0.394 596 R C -0.202 175.924 176.300 -0.291 0.000 1.131 596 R CA 0.870 56.902 56.100 -0.113 0.000 1.059 596 R CB -1.020 29.238 30.300 -0.069 0.000 1.614 596 R HN 0.636 nan 8.270 nan 0.000 0.546 597 R N 0.611 120.908 120.500 -0.339 0.000 2.583 597 R HA 0.309 4.419 4.340 -0.383 0.000 0.329 597 R C -0.686 175.478 176.300 -0.227 0.000 1.166 597 R CA -0.207 55.496 56.100 -0.661 0.000 1.264 597 R CB 0.589 30.537 30.300 -0.587 0.000 1.324 597 R HN 0.023 nan 8.270 nan 0.000 0.684 598 L N -0.172 121.036 121.223 -0.024 0.000 2.461 598 L HA 0.306 4.416 4.340 -0.383 0.000 0.272 598 L C 1.307 178.423 176.870 0.410 0.000 1.197 598 L CA 0.856 55.749 54.840 0.088 0.000 0.836 598 L CB 0.783 42.656 42.059 -0.311 0.000 1.105 598 L HN 0.668 nan 8.230 nan 0.000 0.477 599 G N 0.844 109.915 108.800 0.452 0.000 2.136 599 G HA2 -0.285 3.445 3.960 -0.383 0.000 0.242 599 G HA3 -0.285 3.445 3.960 -0.383 0.000 0.242 599 G C 0.411 175.408 174.900 0.162 0.000 0.989 599 G CA 0.537 45.855 45.100 0.363 0.000 0.682 599 G HN 0.844 nan 8.290 nan 0.000 0.522 600 T N -3.594 111.016 114.554 0.094 0.000 2.995 600 T HA 0.491 4.612 4.350 -0.383 0.000 0.170 600 T C 1.651 176.380 174.700 0.047 0.000 0.844 600 T CA 0.932 63.007 62.100 -0.043 0.000 1.137 600 T CB -0.046 68.622 68.868 -0.332 0.000 2.193 600 T HN 0.163 nan 8.240 nan 0.000 0.384 601 F N 3.481 123.471 119.950 0.066 0.000 2.126 601 F HA 0.046 4.344 4.527 -0.382 0.000 0.299 601 F C 2.815 178.648 175.800 0.055 0.000 1.096 601 F CA 1.294 59.322 58.000 0.046 0.000 1.255 601 F CB -0.808 38.216 39.000 0.040 0.000 0.997 601 F HN 0.560 nan 8.300 nan 0.000 0.479 602 E N 0.864 121.223 120.200 0.264 0.000 2.150 602 E HA -0.118 4.002 4.350 -0.383 0.000 0.193 602 E C 2.123 178.830 176.600 0.179 0.000 0.985 602 E CA 1.398 57.927 56.400 0.214 0.000 0.814 602 E CB -1.033 28.795 29.700 0.214 0.000 0.752 602 E HN 0.286 nan 8.360 nan 0.000 0.466 603 V N 1.945 121.943 119.914 0.139 0.000 2.270 603 V HA -0.242 3.648 4.120 -0.383 0.000 0.245 603 V C 2.385 178.516 176.094 0.062 0.000 1.043 603 V CA 2.316 64.651 62.300 0.060 0.000 1.014 603 V CB -0.662 31.155 31.823 -0.010 0.000 0.645 603 V HN 0.243 nan 8.190 nan 0.000 0.447 604 E N 0.080 120.336 120.200 0.092 0.000 2.110 604 E HA -0.233 3.887 4.350 -0.383 0.000 0.193 604 E C 1.871 178.489 176.600 0.030 0.000 0.988 604 E CA 1.440 57.885 56.400 0.074 0.000 0.804 604 E CB -0.204 29.572 29.700 0.126 0.000 0.745 604 E HN 0.595 nan 8.360 nan 0.000 0.458 605 D N 0.362 120.794 120.400 0.053 0.000 2.224 605 D HA -0.109 4.302 4.640 -0.383 0.000 0.205 605 D C 1.961 178.222 176.300 -0.065 0.000 0.965 605 D CA 0.643 54.644 54.000 0.001 0.000 0.852 605 D CB -0.072 40.783 40.800 0.092 0.000 0.947 605 D HN 0.083 nan 8.370 nan 0.000 0.494 606 Q N 0.185 120.020 119.800 0.057 0.000 2.124 606 Q HA -0.045 4.065 4.340 -0.383 0.000 0.202 606 Q C 2.500 178.510 176.000 0.017 0.000 0.977 606 Q CA 0.631 56.467 55.803 0.056 0.000 0.850 606 Q CB -0.107 28.701 28.738 0.117 0.000 0.901 606 Q HN 0.426 nan 8.270 nan 0.000 0.429 607 I N 0.502 121.106 120.570 0.057 0.000 2.286 607 I HA -0.227 3.713 4.170 -0.383 0.000 0.245 607 I C 2.376 178.433 176.117 -0.100 0.000 1.104 607 I CA 0.998 62.375 61.300 0.128 0.000 1.397 607 I CB -0.167 37.915 38.000 0.137 0.000 1.072 607 I HN 0.121 nan 8.210 nan 0.000 0.417 608 E N 1.620 121.708 120.200 -0.185 0.000 2.077 608 E HA -0.189 3.931 4.350 -0.383 0.000 0.193 608 E C 2.136 178.436 176.600 -0.500 0.000 0.989 608 E CA 1.661 57.893 56.400 -0.280 0.000 0.800 608 E CB -0.189 29.370 29.700 -0.235 0.000 0.746 608 E HN 0.396 nan 8.360 nan 0.000 0.452 609 A N 0.842 123.192 122.820 -0.783 0.000 1.908 609 A HA -0.096 3.994 4.320 -0.383 0.000 0.218 609 A C 2.461 179.280 177.584 -1.275 0.000 1.181 609 A CA 2.260 53.509 52.037 -1.313 0.000 0.627 609 A CB -1.091 16.786 19.000 -1.872 0.000 0.818 609 A HN 0.392 nan 8.150 nan 0.000 0.445 610 A N -0.374 122.058 122.820 -0.648 0.000 1.933 610 A HA -0.163 3.927 4.320 -0.383 0.000 0.218 610 A C 2.230 179.610 177.584 -0.339 0.000 1.175 610 A CA 1.489 53.320 52.037 -0.343 0.000 0.628 610 A CB -0.474 18.432 19.000 -0.156 0.000 0.814 610 A HN 0.555 nan 8.150 nan 0.000 0.444 611 R N -0.626 119.667 120.500 -0.344 0.000 2.091 611 R HA -0.146 3.964 4.340 -0.383 0.000 0.238 611 R C 2.427 178.568 176.300 -0.265 0.000 1.136 611 R CA 1.559 57.499 56.100 -0.268 0.000 0.959 611 R CB -0.289 29.877 30.300 -0.224 0.000 0.856 611 R HN 0.623 nan 8.270 nan 0.000 0.437 612 Q N -0.275 119.301 119.800 -0.374 0.000 2.079 612 Q HA -0.119 3.991 4.340 -0.383 0.000 0.200 612 Q C 2.057 177.929 176.000 -0.213 0.000 0.974 612 Q CA 1.234 56.844 55.803 -0.322 0.000 0.840 612 Q CB -0.183 28.306 28.738 -0.415 0.000 0.898 612 Q HN 0.292 nan 8.270 nan 0.000 0.430 613 F N 1.555 121.345 119.950 -0.266 0.000 2.216 613 F HA -0.145 4.148 4.527 -0.390 0.000 0.300 613 F C 2.685 178.319 175.800 -0.277 0.000 1.085 613 F CA 1.295 59.132 58.000 -0.271 0.000 1.326 613 F CB -1.221 37.664 39.000 -0.192 0.000 1.027 613 F HN 0.088 nan 8.300 nan 0.000 0.497 614 S N -0.522 115.145 115.700 -0.055 0.000 2.489 614 S HA -0.096 4.144 4.470 -0.383 0.000 0.228 614 S C 1.515 176.026 174.600 -0.149 0.000 0.995 614 S CA 0.518 58.652 58.200 -0.111 0.000 0.934 614 S CB -0.462 62.667 63.200 -0.118 0.000 0.771 614 S HN 0.357 nan 8.310 nan 0.000 0.522 615 K N 0.262 120.571 120.400 -0.152 0.000 2.417 615 K HA 0.371 4.461 4.320 -0.383 0.000 0.196 615 K C 1.273 177.766 176.600 -0.178 0.000 1.023 615 K CA 0.010 56.211 56.287 -0.144 0.000 1.122 615 K CB -0.123 32.306 32.500 -0.119 0.000 0.850 615 K HN 0.380 nan 8.250 nan 0.000 0.521 616 M N -0.906 118.523 119.600 -0.284 0.000 2.541 616 M HA 0.054 4.304 4.480 -0.383 0.000 0.252 616 M C 1.132 177.088 176.300 -0.573 0.000 1.125 616 M CA 0.725 55.764 55.300 -0.435 0.000 1.091 616 M CB 0.621 32.848 32.600 -0.622 0.000 1.420 616 M HN 0.482 nan 8.290 nan 0.000 0.486 617 G N 0.712 109.252 108.800 -0.432 0.000 2.308 617 G HA2 -0.298 3.432 3.960 -0.383 0.000 0.221 617 G HA3 -0.298 3.432 3.960 -0.383 0.000 0.221 617 G C 0.523 175.358 174.900 -0.108 0.000 1.032 617 G CA 0.247 45.221 45.100 -0.211 0.000 0.623 617 G HN 0.570 nan 8.290 nan 0.000 0.506 618 F N 1.118 121.127 119.950 0.099 0.000 2.660 618 F HA 0.761 5.056 4.527 -0.387 0.000 0.302 618 F C 0.246 176.166 175.800 0.200 0.000 1.103 618 F CA -0.755 57.340 58.000 0.159 0.000 1.340 618 F CB 0.314 39.466 39.000 0.253 0.000 1.048 618 F HN 0.082 nan 8.300 nan 0.000 0.551 619 V N 1.277 121.244 119.914 0.090 0.000 2.459 619 V HA 0.183 4.073 4.120 -0.383 0.000 0.295 619 V C -0.744 175.356 176.094 0.009 0.000 1.029 619 V CA -0.827 61.529 62.300 0.092 0.000 0.874 619 V CB 1.593 33.422 31.823 0.010 0.000 0.985 619 V HN 0.061 nan 8.190 nan 0.000 0.438 620 D N 3.874 124.272 120.400 -0.003 0.000 2.352 620 D HA 0.111 4.521 4.640 -0.383 0.000 0.245 620 D C 1.146 177.411 176.300 -0.059 0.000 1.224 620 D CA 0.029 53.999 54.000 -0.050 0.000 0.879 620 D CB 0.611 41.360 40.800 -0.085 0.000 1.057 620 D HN 0.418 nan 8.370 nan 0.000 0.491 621 N N 3.225 121.890 118.700 -0.059 0.000 2.348 621 N HA -0.150 4.360 4.740 -0.383 0.000 0.185 621 N C 0.951 176.430 175.510 -0.052 0.000 1.019 621 N CA 0.826 53.836 53.050 -0.068 0.000 0.880 621 N CB 0.158 38.602 38.487 -0.072 0.000 0.965 621 N HN 0.548 nan 8.380 nan 0.000 0.437 622 K N 0.257 120.634 120.400 -0.038 0.000 2.418 622 K HA 0.106 4.196 4.320 -0.383 0.000 0.195 622 K C 0.331 176.945 176.600 0.023 0.000 1.035 622 K CA 0.439 56.719 56.287 -0.011 0.000 1.003 622 K CB 0.410 32.903 32.500 -0.013 0.000 0.793 622 K HN 0.034 nan 8.250 nan 0.000 0.494 623 R N 1.140 121.636 120.500 -0.007 0.000 2.653 623 R HA 0.342 4.452 4.340 -0.383 0.000 0.269 623 R C -1.081 175.228 176.300 0.015 0.000 1.603 623 R CA -0.127 55.983 56.100 0.016 0.000 1.671 623 R CB 0.642 30.810 30.300 -0.220 0.000 1.300 623 R HN -0.008 nan 8.270 nan 0.000 0.668 624 I N 1.276 121.953 120.570 0.178 0.000 2.389 624 I HA 0.544 4.484 4.170 -0.383 0.000 0.288 624 I C 0.013 176.416 176.117 0.477 0.000 0.999 624 I CA -0.629 60.812 61.300 0.235 0.000 1.129 624 I CB 1.868 39.864 38.000 -0.006 0.000 1.288 624 I HN 0.333 nan 8.210 nan 0.000 0.444 625 A N 7.163 130.358 122.820 0.624 0.000 2.387 625 A HA 0.920 5.010 4.320 -0.383 0.000 0.298 625 A C -1.120 176.806 177.584 0.569 0.000 1.165 625 A CA -0.660 51.725 52.037 0.581 0.000 0.814 625 A CB 2.033 21.270 19.000 0.395 0.000 1.357 625 A HN 0.709 nan 8.150 nan 0.000 0.443 626 I N 0.468 121.282 120.570 0.408 0.000 2.692 626 I HA 0.660 4.600 4.170 -0.383 0.000 0.293 626 I C -1.900 174.457 176.117 0.399 0.000 1.200 626 I CA -0.538 60.928 61.300 0.277 0.000 1.036 626 I CB 1.593 39.470 38.000 -0.204 0.000 1.258 626 I HN 0.937 nan 8.210 nan 0.000 0.421 627 W N 7.105 128.528 121.300 0.205 0.000 3.075 627 W HA 0.863 5.294 4.660 -0.382 0.000 0.334 627 W C -1.521 175.144 176.519 0.244 0.000 1.243 627 W CA -1.041 56.439 57.345 0.225 0.000 1.170 627 W CB 1.166 30.811 29.460 0.309 0.000 1.452 627 W HN 0.821 nan 8.180 nan 0.000 0.572 628 G N 0.690 109.402 108.800 -0.148 0.000 2.579 628 G HA2 0.422 4.152 3.960 -0.383 0.000 0.292 628 G HA3 0.422 4.152 3.960 -0.383 0.000 0.292 628 G C -2.858 171.993 174.900 -0.083 0.000 1.484 628 G CA -0.751 44.151 45.100 -0.330 0.000 0.813 628 G HN 0.603 nan 8.290 nan 0.000 0.515 629 W N 1.715 122.902 121.300 -0.190 0.000 2.532 629 W HA 0.572 5.002 4.660 -0.383 0.000 0.321 629 W C 0.741 177.312 176.519 0.087 0.000 1.037 629 W CA 0.359 57.678 57.345 -0.043 0.000 1.220 629 W CB 1.609 31.034 29.460 -0.059 0.000 1.361 629 W HN 1.366 nan 8.180 nan 0.000 0.468 630 S N 3.895 119.788 115.700 0.321 0.000 4.156 630 S HA -0.417 3.823 4.470 -0.383 0.000 0.617 630 S C 1.196 175.922 174.600 0.210 0.000 1.870 630 S CA 1.757 60.176 58.200 0.366 0.000 4.248 630 S CB -1.920 61.666 63.200 0.643 0.000 0.203 630 S HN 0.700 nan 8.310 nan 0.000 0.460 631 Y N 2.386 122.758 120.300 0.121 0.000 2.207 631 Y HA 0.037 4.359 4.550 -0.379 0.000 0.287 631 Y C 2.499 178.352 175.900 -0.078 0.000 1.156 631 Y CA 2.611 60.664 58.100 -0.079 0.000 1.182 631 Y CB -0.980 37.211 38.460 -0.448 0.000 0.979 631 Y HN 0.566 nan 8.280 nan 0.000 0.521 632 G N -0.893 107.988 108.800 0.134 0.000 2.442 632 G HA2 -0.268 3.462 3.960 -0.383 0.000 0.219 632 G HA3 -0.268 3.462 3.960 -0.383 0.000 0.219 632 G C 1.861 176.808 174.900 0.079 0.000 1.141 632 G CA 0.818 45.995 45.100 0.128 0.000 0.763 632 G HN 0.571 nan 8.290 nan 0.000 0.554 633 G N -0.281 108.574 108.800 0.091 0.000 2.408 633 G HA2 -0.217 3.513 3.960 -0.383 0.000 0.217 633 G HA3 -0.217 3.513 3.960 -0.383 0.000 0.217 633 G C 1.567 176.500 174.900 0.055 0.000 1.150 633 G CA 0.990 46.124 45.100 0.056 0.000 0.776 633 G HN 0.487 nan 8.290 nan 0.000 0.542 634 Y N 0.951 121.166 120.300 -0.142 0.000 2.145 634 Y HA -0.162 4.157 4.550 -0.385 0.000 0.286 634 Y C 2.796 178.608 175.900 -0.147 0.000 1.145 634 Y CA 1.817 59.779 58.100 -0.231 0.000 1.148 634 Y CB -0.120 38.049 38.460 -0.486 0.000 0.981 634 Y HN 0.040 nan 8.280 nan 0.000 0.507 635 V N -0.279 119.510 119.914 -0.209 0.000 2.358 635 V HA -0.285 3.605 4.120 -0.383 0.000 0.246 635 V C 2.267 178.248 176.094 -0.189 0.000 1.047 635 V CA 2.269 64.433 62.300 -0.226 0.000 1.035 635 V CB -1.047 30.790 31.823 0.023 0.000 0.658 635 V HN 0.497 nan 8.190 nan 0.000 0.452 636 T N 0.087 114.584 114.554 -0.094 0.000 2.624 636 T HA -0.239 3.881 4.350 -0.383 0.000 0.268 636 T C 2.136 176.777 174.700 -0.098 0.000 1.041 636 T CA 2.204 64.260 62.100 -0.073 0.000 1.159 636 T CB -0.327 68.578 68.868 0.062 0.000 0.863 636 T HN 0.500 nan 8.240 nan 0.000 0.434 637 S N 0.781 116.458 115.700 -0.038 0.000 2.382 637 S HA -0.004 4.236 4.470 -0.383 0.000 0.228 637 S C 2.136 176.653 174.600 -0.138 0.000 1.027 637 S CA 0.905 59.112 58.200 0.012 0.000 0.991 637 S CB -0.266 62.988 63.200 0.089 0.000 0.823 637 S HN 0.323 nan 8.310 nan 0.000 0.469 638 M N 0.780 120.212 119.600 -0.281 0.000 2.175 638 M HA -0.012 4.238 4.480 -0.383 0.000 0.264 638 M C 2.196 178.335 176.300 -0.268 0.000 1.063 638 M CA 1.032 56.142 55.300 -0.317 0.000 1.119 638 M CB -1.337 30.967 32.600 -0.494 0.000 1.377 638 M HN 0.177 nan 8.290 nan 0.000 0.415 639 V N 0.779 120.527 119.914 -0.277 0.000 2.307 639 V HA -0.238 3.652 4.120 -0.383 0.000 0.245 639 V C 2.495 178.403 176.094 -0.309 0.000 1.045 639 V CA 1.426 63.561 62.300 -0.274 0.000 1.024 639 V CB -0.618 30.965 31.823 -0.399 0.000 0.651 639 V HN 0.401 nan 8.190 nan 0.000 0.449 640 L N 0.392 121.363 121.223 -0.420 0.000 2.191 640 L HA -0.054 4.056 4.340 -0.383 0.000 0.212 640 L C 2.251 178.579 176.870 -0.904 0.000 1.103 640 L CA 1.454 55.953 54.840 -0.567 0.000 0.769 640 L CB -0.760 40.924 42.059 -0.625 0.000 0.908 640 L HN 0.484 nan 8.230 nan 0.000 0.438 641 G N -1.220 107.055 108.800 -0.874 0.000 3.042 641 G HA2 -0.069 3.661 3.960 -0.383 0.000 0.212 641 G HA3 -0.069 3.661 3.960 -0.383 0.000 0.212 641 G C 1.571 176.303 174.900 -0.280 0.000 1.166 641 G CA 0.591 45.300 45.100 -0.651 0.000 0.767 641 G HN 0.435 nan 8.290 nan 0.000 0.546 642 S N -0.380 115.183 115.700 -0.230 0.000 2.461 642 S HA 0.278 4.519 4.470 -0.383 0.000 0.228 642 S C 1.910 176.463 174.600 -0.079 0.000 1.005 642 S CA 1.055 59.186 58.200 -0.116 0.000 0.942 642 S CB -0.220 62.935 63.200 -0.076 0.000 0.776 642 S HN 1.398 nan 8.310 nan 0.000 0.514 643 G N 1.264 110.007 108.800 -0.095 0.000 2.198 643 G HA2 -0.305 3.425 3.960 -0.383 0.000 0.257 643 G HA3 -0.305 3.425 3.960 -0.383 0.000 0.257 643 G C 0.816 175.700 174.900 -0.026 0.000 1.042 643 G CA 0.847 45.913 45.100 -0.056 0.000 0.791 643 G HN 1.279 nan 8.290 nan 0.000 0.502 644 S N -1.112 114.585 115.700 -0.005 0.000 2.470 644 S HA 0.359 4.599 4.470 -0.383 0.000 0.225 644 S C 2.462 177.056 174.600 -0.010 0.000 1.006 644 S CA 1.546 59.750 58.200 0.007 0.000 0.934 644 S CB 0.020 63.251 63.200 0.052 0.000 0.778 644 S HN 2.382 nan 8.310 nan 0.000 0.517 645 G N 0.287 109.088 108.800 0.002 0.000 2.179 645 G HA2 -0.309 3.422 3.960 -0.383 0.000 0.260 645 G HA3 -0.309 3.422 3.960 -0.383 0.000 0.260 645 G C 0.818 175.683 174.900 -0.058 0.000 0.977 645 G CA 0.419 45.510 45.100 -0.017 0.000 0.641 645 G HN 0.691 nan 8.290 nan 0.000 0.533 646 V N -0.399 119.444 119.914 -0.119 0.000 2.453 646 V HA 0.218 4.109 4.120 -0.383 0.000 0.247 646 V C 1.234 177.043 176.094 -0.474 0.000 1.048 646 V CA 1.664 63.728 62.300 -0.393 0.000 1.049 646 V CB -0.423 30.996 31.823 -0.673 0.000 0.672 646 V HN 0.317 nan 8.190 nan 0.000 0.457 647 F N -0.172 119.792 119.950 0.023 0.000 2.436 647 F HA 0.424 4.720 4.527 -0.385 0.000 0.340 647 F C 1.073 176.917 175.800 0.073 0.000 1.113 647 F CA -0.662 57.379 58.000 0.068 0.000 1.022 647 F CB 1.406 40.449 39.000 0.071 0.000 1.128 647 F HN -0.263 nan 8.300 nan 0.000 0.466 648 K N 1.625 122.185 120.400 0.266 0.000 2.116 648 K HA 0.076 4.166 4.320 -0.383 0.000 0.203 648 K C -0.025 176.703 176.600 0.214 0.000 1.052 648 K CA 0.980 57.386 56.287 0.198 0.000 0.952 648 K CB 0.229 32.844 32.500 0.192 0.000 0.729 648 K HN 0.827 nan 8.250 nan 0.000 0.446 649 c N -3.351 115.416 118.600 0.278 0.000 3.295 649 c HA 0.880 5.220 4.570 -0.383 0.000 0.341 649 c C -0.341 173.974 174.090 0.374 0.000 1.418 649 c CA -0.514 56.001 56.329 0.311 0.000 1.240 649 c CB 1.125 43.748 42.510 0.189 0.000 1.562 649 c HN 0.354 nan 8.230 nan 0.000 0.457 650 G N -0.057 109.033 108.800 0.484 0.000 2.579 650 G HA2 0.665 4.395 3.960 -0.383 0.000 0.292 650 G HA3 0.665 4.395 3.960 -0.383 0.000 0.292 650 G C -2.034 173.099 174.900 0.389 0.000 1.484 650 G CA -0.681 44.673 45.100 0.423 0.000 0.813 650 G HN 1.097 nan 8.290 nan 0.000 0.515 651 I N 0.699 121.463 120.570 0.324 0.000 2.466 651 I HA 0.633 4.573 4.170 -0.383 0.000 0.289 651 I C 0.255 176.498 176.117 0.210 0.000 1.026 651 I CA -0.977 60.400 61.300 0.128 0.000 1.078 651 I CB 2.209 40.260 38.000 0.085 0.000 1.249 651 I HN 0.674 nan 8.210 nan 0.000 0.429 652 A N 6.435 129.282 122.820 0.046 0.000 2.287 652 A HA 0.785 4.875 4.320 -0.383 0.000 0.317 652 A C -0.658 176.845 177.584 -0.135 0.000 1.220 652 A CA -0.522 51.542 52.037 0.046 0.000 0.835 652 A CB 1.088 20.186 19.000 0.164 0.000 1.180 652 A HN 0.463 nan 8.150 nan 0.000 0.500 653 V N 2.145 121.927 119.914 -0.220 0.000 2.417 653 V HA 0.569 4.460 4.120 -0.383 0.000 0.291 653 V C 0.946 176.649 176.094 -0.651 0.000 1.024 653 V CA 0.378 62.330 62.300 -0.580 0.000 0.861 653 V CB 0.862 32.041 31.823 -1.073 0.000 0.985 653 V HN 2.100 nan 8.190 nan 0.000 0.436 654 A N 5.488 127.902 122.820 -0.677 0.000 2.640 654 A HA -0.101 3.989 4.320 -0.383 0.000 0.300 654 A C -1.695 175.729 177.584 -0.267 0.000 1.499 654 A CA 0.441 51.965 52.037 -0.855 0.000 0.759 654 A CB -1.638 17.006 19.000 -0.593 0.000 1.048 654 A HN 0.623 nan 8.150 nan 0.000 0.450 655 P HA 0.375 nan 4.420 nan 0.000 0.279 655 P C 0.264 177.558 177.300 -0.010 0.000 1.239 655 P CA -0.040 63.056 63.100 -0.007 0.000 0.789 655 P CB 1.264 32.979 31.700 0.026 0.000 0.933 656 V N 3.038 122.855 119.914 -0.162 0.000 2.655 656 V HA 0.001 3.891 4.120 -0.383 0.000 0.300 656 V C 1.828 177.739 176.094 -0.306 0.000 1.044 656 V CA 1.131 63.185 62.300 -0.410 0.000 1.095 656 V CB 0.535 31.747 31.823 -1.019 0.000 0.952 656 V HN 0.815 nan 8.190 nan 0.000 0.485 657 S N 4.100 119.650 115.700 -0.251 0.000 2.564 657 S HA 0.257 4.497 4.470 -0.383 0.000 0.231 657 S C 0.468 174.907 174.600 -0.268 0.000 1.067 657 S CA -0.377 57.743 58.200 -0.134 0.000 0.908 657 S CB 0.350 63.541 63.200 -0.015 0.000 0.809 657 S HN 0.849 nan 8.310 nan 0.000 0.491 658 R N -1.554 118.667 120.500 -0.465 0.000 2.680 658 R HA 0.515 4.625 4.340 -0.383 0.000 0.269 658 R C -0.973 174.980 176.300 -0.578 0.000 1.026 658 R CA -0.981 54.772 56.100 -0.578 0.000 0.889 658 R CB -0.003 29.978 30.300 -0.533 0.000 1.241 658 R HN 0.133 nan 8.270 nan 0.000 0.463 659 W N 0.728 121.947 121.300 -0.136 0.000 2.519 659 W HA 0.080 4.510 4.660 -0.383 0.000 0.266 659 W C 1.110 177.779 176.519 0.251 0.000 1.253 659 W CA 0.484 57.832 57.345 0.005 0.000 1.274 659 W CB 0.302 29.645 29.460 -0.196 0.000 1.114 659 W HN 0.742 nan 8.180 nan 0.000 0.596 660 E N -0.822 119.587 120.200 0.349 0.000 2.338 660 E HA -0.192 3.928 4.350 -0.383 0.000 0.197 660 E C 1.296 178.067 176.600 0.285 0.000 1.007 660 E CA 0.971 57.510 56.400 0.232 0.000 0.849 660 E CB -0.296 29.423 29.700 0.030 0.000 0.774 660 E HN 0.334 nan 8.360 nan 0.000 0.506 661 Y N -1.442 118.965 120.300 0.179 0.000 2.517 661 Y HA 0.079 4.399 4.550 -0.383 0.000 0.281 661 Y C 0.596 176.624 175.900 0.213 0.000 1.125 661 Y CA -0.300 57.877 58.100 0.129 0.000 1.283 661 Y CB -0.371 38.102 38.460 0.022 0.000 1.042 661 Y HN 0.023 nan 8.280 nan 0.000 0.547 662 Y N 1.672 122.154 120.300 0.304 0.000 2.458 662 Y HA 0.305 4.625 4.550 -0.383 0.000 0.322 662 Y C 0.312 176.441 175.900 0.382 0.000 1.259 662 Y CA -2.122 56.164 58.100 0.309 0.000 1.302 662 Y CB 0.449 39.103 38.460 0.322 0.000 1.314 662 Y HN 0.172 nan 8.280 nan 0.000 0.509 663 D N -0.539 119.622 120.400 -0.399 0.000 2.361 663 D HA 0.092 4.502 4.640 -0.383 0.000 0.239 663 D C 0.922 177.221 176.300 -0.001 0.000 1.200 663 D CA 0.358 54.177 54.000 -0.302 0.000 0.915 663 D CB 0.831 41.204 40.800 -0.712 0.000 1.170 663 D HN 0.471 nan 8.370 nan 0.000 0.444 664 S N 0.655 116.352 115.700 -0.004 0.000 2.355 664 S HA -0.225 4.015 4.470 -0.383 0.000 0.222 664 S C 2.092 176.738 174.600 0.076 0.000 1.031 664 S CA 1.040 59.294 58.200 0.090 0.000 0.993 664 S CB -1.078 62.180 63.200 0.097 0.000 0.859 664 S HN 0.685 nan 8.310 nan 0.000 0.453 665 V N -0.268 119.632 119.914 -0.025 0.000 2.453 665 V HA -0.027 3.863 4.120 -0.383 0.000 0.247 665 V C 2.077 178.105 176.094 -0.110 0.000 1.048 665 V CA 1.562 63.759 62.300 -0.172 0.000 1.049 665 V CB -1.113 30.354 31.823 -0.594 0.000 0.672 665 V HN 0.539 nan 8.190 nan 0.000 0.457 666 Y N 2.016 122.285 120.300 -0.051 0.000 2.153 666 Y HA -0.092 4.227 4.550 -0.385 0.000 0.289 666 Y C 2.686 178.654 175.900 0.114 0.000 1.127 666 Y CA 2.597 60.758 58.100 0.102 0.000 1.131 666 Y CB -0.555 38.142 38.460 0.394 0.000 0.995 666 Y HN 0.299 nan 8.280 nan 0.000 0.505 667 T N 0.343 115.162 114.554 0.443 0.000 2.708 667 T HA -0.200 3.920 4.350 -0.383 0.000 0.266 667 T C 1.530 176.252 174.700 0.037 0.000 1.037 667 T CA 1.961 64.253 62.100 0.320 0.000 1.146 667 T CB -0.309 68.874 68.868 0.525 0.000 0.865 667 T HN 0.441 nan 8.240 nan 0.000 0.435 668 E N 0.507 120.733 120.200 0.044 0.000 2.208 668 E HA -0.039 4.081 4.350 -0.383 0.000 0.193 668 E C 2.361 178.863 176.600 -0.163 0.000 0.988 668 E CA 0.255 56.664 56.400 0.016 0.000 0.828 668 E CB -0.101 29.649 29.700 0.082 0.000 0.763 668 E HN 0.323 nan 8.360 nan 0.000 0.478 669 R N 0.127 120.384 120.500 -0.405 0.000 2.103 669 R HA -0.214 3.896 4.340 -0.383 0.000 0.242 669 R C 1.236 177.019 176.300 -0.863 0.000 1.142 669 R CA 1.740 57.389 56.100 -0.751 0.000 0.960 669 R CB -0.021 29.482 30.300 -1.328 0.000 0.858 669 R HN 0.267 nan 8.270 nan 0.000 0.439 670 Y N -2.509 117.494 120.300 -0.494 0.000 2.535 670 Y HA 0.195 4.515 4.550 -0.383 0.000 0.266 670 Y C 1.825 177.533 175.900 -0.320 0.000 1.088 670 Y CA -0.002 57.791 58.100 -0.511 0.000 1.285 670 Y CB 0.385 38.401 38.460 -0.740 0.000 1.166 670 Y HN -0.049 nan 8.280 nan 0.000 0.525 671 M N -0.610 118.893 119.600 -0.162 0.000 2.379 671 M HA 0.357 4.607 4.480 -0.383 0.000 0.265 671 M C 1.212 177.543 176.300 0.052 0.000 1.095 671 M CA 0.850 56.054 55.300 -0.159 0.000 1.075 671 M CB -0.348 31.992 32.600 -0.433 0.000 1.443 671 M HN 0.349 nan 8.290 nan 0.000 0.519 672 G N 1.785 110.625 108.800 0.066 0.000 2.569 672 G HA2 -0.225 3.505 3.960 -0.383 0.000 0.259 672 G HA3 -0.225 3.505 3.960 -0.383 0.000 0.259 672 G C -0.649 174.393 174.900 0.237 0.000 1.263 672 G CA -0.679 44.495 45.100 0.123 0.000 0.928 672 G HN 0.254 nan 8.290 nan 0.000 0.572 673 L N 2.559 123.882 121.223 0.167 0.000 2.357 673 L HA 0.546 4.656 4.340 -0.383 0.000 0.273 673 L C -1.402 175.440 176.870 -0.046 0.000 1.080 673 L CA -1.955 52.926 54.840 0.069 0.000 0.803 673 L CB 1.208 43.278 42.059 0.019 0.000 1.174 673 L HN 0.407 nan 8.230 nan 0.000 0.443 674 P HA 0.126 nan 4.420 nan 0.000 0.220 674 P C -0.740 176.409 177.300 -0.251 0.000 1.778 674 P CA -0.170 62.511 63.100 -0.698 0.000 0.912 674 P CB -0.462 30.576 31.700 -1.104 0.000 1.861 675 T N -3.635 110.857 114.554 -0.102 0.000 2.887 675 T HA 0.472 4.592 4.350 -0.383 0.000 0.288 675 T C -2.284 172.412 174.700 -0.006 0.000 1.021 675 T CA -2.582 59.490 62.100 -0.047 0.000 1.000 675 T CB 1.925 70.775 68.868 -0.030 0.000 1.034 675 T HN -0.314 nan 8.240 nan 0.000 0.467 676 P HA -0.164 nan 4.420 nan 0.000 0.217 676 P C 1.459 178.770 177.300 0.019 0.000 1.148 676 P CA 1.067 64.175 63.100 0.013 0.000 0.828 676 P CB 0.117 31.821 31.700 0.007 0.000 0.783 677 E N -1.415 118.792 120.200 0.013 0.000 2.481 677 E HA -0.076 4.044 4.350 -0.383 0.000 0.195 677 E C 0.864 177.477 176.600 0.022 0.000 1.047 677 E CA 0.825 57.233 56.400 0.014 0.000 0.867 677 E CB -0.296 29.409 29.700 0.007 0.000 0.858 677 E HN 0.254 nan 8.360 nan 0.000 0.513 678 D N 0.907 121.327 120.400 0.032 0.000 3.112 678 D HA 0.028 4.438 4.640 -0.383 0.000 0.212 678 D C 0.296 176.644 176.300 0.081 0.000 1.376 678 D CA -0.008 54.022 54.000 0.050 0.000 1.411 678 D CB -0.116 40.714 40.800 0.051 0.000 0.965 678 D HN 0.036 nan 8.370 nan 0.000 0.192 679 N N -0.102 118.676 118.700 0.131 0.000 2.299 679 N HA 0.107 4.617 4.740 -0.383 0.000 0.246 679 N C 0.961 176.659 175.510 0.314 0.000 1.254 679 N CA -0.075 53.103 53.050 0.213 0.000 0.879 679 N CB 0.219 38.857 38.487 0.252 0.000 1.214 679 N HN 0.134 nan 8.380 nan 0.000 0.510 680 L N 0.440 121.770 121.223 0.179 0.000 2.043 680 L HA -0.106 4.004 4.340 -0.383 0.000 0.212 680 L C 1.152 178.130 176.870 0.180 0.000 1.075 680 L CA 2.001 56.924 54.840 0.139 0.000 0.752 680 L CB -0.383 41.694 42.059 0.030 0.000 0.891 680 L HN 0.105 nan 8.230 nan 0.000 0.432 681 D N -1.591 118.896 120.400 0.144 0.000 2.149 681 D HA -0.237 4.173 4.640 -0.383 0.000 0.198 681 D C 2.060 178.446 176.300 0.143 0.000 0.990 681 D CA 1.664 55.735 54.000 0.119 0.000 0.839 681 D CB -0.151 40.706 40.800 0.096 0.000 0.948 681 D HN 0.598 nan 8.370 nan 0.000 0.460 682 H N -1.103 118.030 119.070 0.104 0.000 2.436 682 H HA -0.036 4.290 4.556 -0.383 0.000 0.294 682 H C 1.649 177.038 175.328 0.102 0.000 1.048 682 H CA 1.150 57.239 56.048 0.067 0.000 1.353 682 H CB -0.188 29.577 29.762 0.004 0.000 1.414 682 H HN 0.143 nan 8.280 nan 0.000 0.536 683 Y N 0.231 120.537 120.300 0.010 0.000 2.165 683 Y HA -0.200 4.121 4.550 -0.382 0.000 0.286 683 Y C 2.408 178.275 175.900 -0.056 0.000 1.155 683 Y CA 1.394 59.500 58.100 0.010 0.000 1.164 683 Y CB 0.103 38.595 38.460 0.054 0.000 0.978 683 Y HN 0.116 nan 8.280 nan 0.000 0.513 684 R N -0.142 120.429 120.500 0.118 0.000 2.148 684 R HA -0.087 4.024 4.340 -0.383 0.000 0.223 684 R C 1.362 177.649 176.300 -0.021 0.000 1.088 684 R CA 0.879 57.000 56.100 0.035 0.000 0.985 684 R CB -0.769 29.553 30.300 0.037 0.000 0.880 684 R HN 0.481 nan 8.270 nan 0.000 0.451 685 N N 0.487 119.147 118.700 -0.067 0.000 2.336 685 N HA -0.029 4.481 4.740 -0.383 0.000 0.189 685 N C 0.049 175.474 175.510 -0.141 0.000 1.113 685 N CA 0.359 53.358 53.050 -0.085 0.000 0.858 685 N CB 0.435 38.896 38.487 -0.044 0.000 0.970 685 N HN 0.111 nan 8.380 nan 0.000 0.471 686 S N -0.462 115.119 115.700 -0.198 0.000 2.651 686 S HA 0.062 4.302 4.470 -0.383 0.000 0.246 686 S C 0.470 175.097 174.600 0.045 0.000 1.039 686 S CA -0.763 57.370 58.200 -0.111 0.000 1.013 686 S CB -0.007 63.041 63.200 -0.253 0.000 0.861 686 S HN 0.119 nan 8.310 nan 0.000 0.485 687 T N -1.041 113.500 114.554 -0.022 0.000 2.909 687 T HA 0.476 4.597 4.350 -0.383 0.000 0.289 687 T C 1.360 176.047 174.700 -0.022 0.000 1.005 687 T CA -0.143 61.934 62.100 -0.038 0.000 1.084 687 T CB 1.534 70.353 68.868 -0.080 0.000 0.975 687 T HN 0.419 nan 8.240 nan 0.000 0.509 688 V N 2.567 122.468 119.914 -0.022 0.000 2.453 688 V HA -0.063 3.827 4.120 -0.383 0.000 0.247 688 V C 2.222 178.290 176.094 -0.043 0.000 1.048 688 V CA 1.457 63.736 62.300 -0.033 0.000 1.049 688 V CB -1.118 30.683 31.823 -0.038 0.000 0.672 688 V HN 0.859 nan 8.190 nan 0.000 0.457 689 M N 2.445 122.005 119.600 -0.067 0.000 2.108 689 M HA -0.168 4.082 4.480 -0.383 0.000 0.257 689 M C 2.462 178.737 176.300 -0.042 0.000 1.071 689 M CA 2.539 57.794 55.300 -0.074 0.000 1.093 689 M CB -1.168 31.399 32.600 -0.056 0.000 1.345 689 M HN 0.752 nan 8.290 nan 0.000 0.403 690 S N -0.252 115.431 115.700 -0.028 0.000 2.465 690 S HA -0.129 4.111 4.470 -0.383 0.000 0.241 690 S C 1.832 176.435 174.600 0.004 0.000 1.000 690 S CA 0.953 59.145 58.200 -0.014 0.000 0.964 690 S CB -0.517 62.672 63.200 -0.018 0.000 0.763 690 S HN 0.563 nan 8.310 nan 0.000 0.512 691 R N 0.372 120.888 120.500 0.025 0.000 2.362 691 R HA 0.433 4.544 4.340 -0.383 0.000 0.227 691 R C 2.314 178.714 176.300 0.166 0.000 0.905 691 R CA 0.441 56.579 56.100 0.063 0.000 1.067 691 R CB -0.275 30.052 30.300 0.045 0.000 1.078 691 R HN 0.484 nan 8.270 nan 0.000 0.516 692 A N 1.818 124.702 122.820 0.108 0.000 1.915 692 A HA -0.314 3.776 4.320 -0.383 0.000 0.220 692 A C 2.050 179.733 177.584 0.165 0.000 1.198 692 A CA 2.107 54.193 52.037 0.081 0.000 0.647 692 A CB -0.348 18.613 19.000 -0.064 0.000 0.825 692 A HN 0.300 nan 8.150 nan 0.000 0.456 693 E N 0.475 120.731 120.200 0.094 0.000 2.118 693 E HA -0.181 3.939 4.350 -0.383 0.000 0.195 693 E C 1.437 178.088 176.600 0.084 0.000 0.992 693 E CA 1.625 58.070 56.400 0.075 0.000 0.804 693 E CB -0.248 29.477 29.700 0.042 0.000 0.741 693 E HN 0.605 nan 8.360 nan 0.000 0.458 694 N N -0.440 118.300 118.700 0.067 0.000 2.550 694 N HA -0.071 4.439 4.740 -0.383 0.000 0.186 694 N C 0.552 176.023 175.510 -0.065 0.000 1.110 694 N CA 0.401 53.442 53.050 -0.015 0.000 0.912 694 N CB -0.176 38.259 38.487 -0.086 0.000 0.968 694 N HN 0.230 nan 8.380 nan 0.000 0.448 695 F N 1.494 121.399 119.950 -0.075 0.000 2.699 695 F HA 0.064 4.361 4.527 -0.383 0.000 0.298 695 F C 1.859 177.662 175.800 0.005 0.000 1.154 695 F CA 0.527 58.480 58.000 -0.078 0.000 1.457 695 F CB 0.069 38.973 39.000 -0.160 0.000 1.106 695 F HN -0.038 nan 8.300 nan 0.000 0.585 696 K N 0.038 120.535 120.400 0.161 0.000 2.211 696 K HA -0.209 3.881 4.320 -0.383 0.000 0.204 696 K C 1.561 178.216 176.600 0.092 0.000 1.047 696 K CA 1.254 57.614 56.287 0.122 0.000 0.935 696 K CB -0.298 32.254 32.500 0.087 0.000 0.728 696 K HN 0.440 nan 8.250 nan 0.000 0.452 697 Q N 0.582 120.414 119.800 0.053 0.000 2.451 697 Q HA 0.014 4.124 4.340 -0.383 0.000 0.206 697 Q C 0.495 176.528 176.000 0.055 0.000 0.947 697 Q CA 0.225 56.049 55.803 0.037 0.000 0.937 697 Q CB 0.458 29.197 28.738 0.002 0.000 1.025 697 Q HN 0.167 nan 8.270 nan 0.000 0.511 698 V N -3.060 116.902 119.914 0.080 0.000 3.102 698 V HA 0.473 4.363 4.120 -0.383 0.000 0.312 698 V C -1.196 175.035 176.094 0.228 0.000 1.135 698 V CA -1.309 61.066 62.300 0.123 0.000 1.022 698 V CB 2.297 34.149 31.823 0.048 0.000 1.056 698 V HN -0.053 nan 8.190 nan 0.000 0.436 699 E N 1.723 122.087 120.200 0.273 0.000 2.146 699 E HA 0.456 4.576 4.350 -0.383 0.000 0.282 699 E C -1.819 175.151 176.600 0.618 0.000 0.989 699 E CA -0.358 56.279 56.400 0.395 0.000 0.799 699 E CB 1.618 31.480 29.700 0.272 0.000 1.088 699 E HN 0.677 nan 8.360 nan 0.000 0.397 700 Y N 3.469 124.041 120.300 0.452 0.000 2.376 700 Y HA 0.413 4.732 4.550 -0.384 0.000 0.340 700 Y C -1.538 174.444 175.900 0.137 0.000 0.965 700 Y CA -1.539 56.763 58.100 0.336 0.000 1.078 700 Y CB 0.984 39.662 38.460 0.364 0.000 1.193 700 Y HN 0.408 nan 8.280 nan 0.000 0.452 701 L N 7.525 128.482 121.223 -0.442 0.000 2.287 701 L HA 0.576 4.687 4.340 -0.383 0.000 0.287 701 L C -1.921 174.478 176.870 -0.784 0.000 1.022 701 L CA -0.786 53.624 54.840 -0.717 0.000 0.814 701 L CB 1.191 42.523 42.059 -1.213 0.000 1.217 701 L HN 0.635 nan 8.230 nan 0.000 0.420 702 L N 6.840 127.685 121.223 -0.630 0.000 2.287 702 L HA 0.666 4.776 4.340 -0.383 0.000 0.287 702 L C -1.058 175.686 176.870 -0.211 0.000 1.022 702 L CA 0.001 54.533 54.840 -0.513 0.000 0.814 702 L CB 1.045 42.839 42.059 -0.442 0.000 1.217 702 L HN 0.572 nan 8.230 nan 0.000 0.420 703 I N 4.623 125.083 120.570 -0.182 0.000 2.545 703 I HA 0.455 4.395 4.170 -0.383 0.000 0.292 703 I C -1.148 174.957 176.117 -0.019 0.000 1.040 703 I CA -0.677 60.575 61.300 -0.080 0.000 1.068 703 I CB 2.018 39.938 38.000 -0.134 0.000 1.251 703 I HN 0.675 nan 8.210 nan 0.000 0.424 704 H N 2.305 121.432 119.070 0.095 0.000 3.085 704 H HA 0.493 4.820 4.556 -0.382 0.000 0.356 704 H C -0.321 175.238 175.328 0.384 0.000 1.178 704 H CA -0.602 55.555 56.048 0.181 0.000 1.214 704 H CB 2.069 31.891 29.762 0.100 0.000 1.881 704 H HN 0.740 nan 8.280 nan 0.000 0.538 705 G N 0.886 110.029 108.800 0.572 0.000 2.370 705 G HA2 0.201 3.931 3.960 -0.383 0.000 0.272 705 G HA3 0.201 3.931 3.960 -0.383 0.000 0.272 705 G C 1.137 176.320 174.900 0.472 0.000 1.208 705 G CA 0.158 45.554 45.100 0.493 0.000 0.856 705 G HN 0.748 nan 8.290 nan 0.000 0.500 706 T N -0.655 114.027 114.554 0.213 0.000 3.035 706 T HA 0.131 4.251 4.350 -0.383 0.000 0.268 706 T C 1.575 176.232 174.700 -0.073 0.000 1.109 706 T CA 1.249 63.283 62.100 -0.111 0.000 1.119 706 T CB 0.191 68.897 68.868 -0.269 0.000 0.900 706 T HN 0.716 nan 8.240 nan 0.000 0.503 707 A N 0.972 123.820 122.820 0.047 0.000 2.713 707 A HA 0.347 4.437 4.320 -0.383 0.000 0.296 707 A C 0.225 177.784 177.584 -0.041 0.000 1.255 707 A CA -0.540 51.478 52.037 -0.032 0.000 0.955 707 A CB -0.208 19.060 19.000 0.446 0.000 1.149 707 A HN 0.364 nan 8.150 nan 0.000 0.538 708 D N 1.611 122.006 120.400 -0.007 0.000 2.342 708 D HA 0.008 4.418 4.640 -0.383 0.000 0.260 708 D C 0.333 176.631 176.300 -0.003 0.000 1.278 708 D CA 0.134 54.229 54.000 0.159 0.000 0.910 708 D CB 0.716 41.757 40.800 0.402 0.000 1.079 708 D HN 0.567 nan 8.370 nan 0.000 0.496 709 D N 2.251 122.706 120.400 0.092 0.000 2.348 709 D HA -0.127 4.283 4.640 -0.383 0.000 0.211 709 D C 0.941 177.203 176.300 -0.063 0.000 0.998 709 D CA -0.064 53.942 54.000 0.009 0.000 0.873 709 D CB 0.459 41.184 40.800 -0.126 0.000 0.925 709 D HN 0.223 nan 8.370 nan 0.000 0.524 710 N N 1.065 119.796 118.700 0.052 0.000 2.426 710 N HA -0.094 4.417 4.740 -0.383 0.000 0.205 710 N C 0.235 175.644 175.510 -0.169 0.000 1.040 710 N CA 0.617 53.726 53.050 0.099 0.000 0.990 710 N CB 0.272 38.836 38.487 0.128 0.000 1.215 710 N HN 0.035 nan 8.380 nan 0.000 0.491 711 V N 3.193 123.003 119.914 -0.173 0.000 2.320 711 V HA 0.337 4.227 4.120 -0.383 0.000 0.265 711 V C -0.826 175.291 176.094 0.039 0.000 1.048 711 V CA -0.598 61.665 62.300 -0.061 0.000 0.865 711 V CB -0.746 31.091 31.823 0.023 0.000 1.043 711 V HN 0.330 nan 8.190 nan 0.000 0.474 712 H N 4.799 123.842 119.070 -0.044 0.000 2.871 712 H HA 0.084 4.411 4.556 -0.382 0.000 0.355 712 H C 0.572 175.741 175.328 -0.264 0.000 1.092 712 H CA 0.746 56.687 56.048 -0.179 0.000 1.420 712 H CB 0.674 30.251 29.762 -0.308 0.000 1.400 712 H HN 0.765 nan 8.280 nan 0.000 0.604 713 F N 1.865 121.624 119.950 -0.318 0.000 2.192 713 F HA -0.314 3.983 4.527 -0.383 0.000 0.301 713 F C 2.579 178.114 175.800 -0.442 0.000 1.079 713 F CA 1.782 59.429 58.000 -0.589 0.000 1.303 713 F CB -0.196 38.616 39.000 -0.313 0.000 1.024 713 F HN 0.670 nan 8.300 nan 0.000 0.494 714 Q N 0.172 119.822 119.800 -0.250 0.000 2.182 714 Q HA -0.344 3.767 4.340 -0.383 0.000 0.213 714 Q C 2.088 177.816 176.000 -0.455 0.000 1.000 714 Q CA 2.501 58.094 55.803 -0.350 0.000 0.889 714 Q CB -0.332 28.176 28.738 -0.383 0.000 0.932 714 Q HN 0.615 nan 8.270 nan 0.000 0.415 715 Q N -0.454 119.113 119.800 -0.387 0.000 2.050 715 Q HA -0.121 3.989 4.340 -0.383 0.000 0.202 715 Q C 2.261 178.129 176.000 -0.220 0.000 0.980 715 Q CA 1.772 57.464 55.803 -0.185 0.000 0.840 715 Q CB -0.086 28.635 28.738 -0.028 0.000 0.898 715 Q HN 0.368 nan 8.270 nan 0.000 0.424 716 S N 1.233 116.679 115.700 -0.422 0.000 2.387 716 S HA -0.046 4.195 4.470 -0.383 0.000 0.226 716 S C 2.152 176.495 174.600 -0.427 0.000 1.026 716 S CA 0.840 58.804 58.200 -0.393 0.000 0.972 716 S CB -0.214 62.671 63.200 -0.525 0.000 0.814 716 S HN 0.474 nan 8.310 nan 0.000 0.477 717 A N 1.606 124.066 122.820 -0.598 0.000 1.978 717 A HA -0.139 3.951 4.320 -0.383 0.000 0.220 717 A C 2.160 179.633 177.584 -0.184 0.000 1.170 717 A CA 1.147 52.972 52.037 -0.353 0.000 0.636 717 A CB -0.409 18.428 19.000 -0.271 0.000 0.810 717 A HN 0.374 nan 8.150 nan 0.000 0.448 718 Q N -0.571 119.124 119.800 -0.174 0.000 2.187 718 Q HA 0.019 4.129 4.340 -0.383 0.000 0.199 718 Q C 2.087 178.031 176.000 -0.094 0.000 0.957 718 Q CA 0.952 56.709 55.803 -0.075 0.000 0.857 718 Q CB -0.298 28.466 28.738 0.043 0.000 0.929 718 Q HN 0.779 nan 8.270 nan 0.000 0.453 719 I N 1.204 121.690 120.570 -0.140 0.000 2.202 719 I HA -0.276 3.664 4.170 -0.383 0.000 0.242 719 I C 2.591 178.536 176.117 -0.287 0.000 1.091 719 I CA 1.516 62.689 61.300 -0.211 0.000 1.368 719 I CB -0.395 37.490 38.000 -0.192 0.000 1.058 719 I HN 0.174 nan 8.210 nan 0.000 0.410 720 S N 0.846 116.409 115.700 -0.228 0.000 2.382 720 S HA -0.265 3.975 4.470 -0.383 0.000 0.228 720 S C 2.057 176.634 174.600 -0.037 0.000 1.027 720 S CA 1.409 59.515 58.200 -0.157 0.000 0.991 720 S CB -0.423 62.852 63.200 0.125 0.000 0.823 720 S HN 0.386 nan 8.310 nan 0.000 0.469 721 K N 1.623 121.999 120.400 -0.040 0.000 2.057 721 K HA 0.044 4.135 4.320 -0.383 0.000 0.207 721 K C 2.237 178.819 176.600 -0.029 0.000 1.049 721 K CA 1.180 57.462 56.287 -0.009 0.000 0.931 721 K CB -0.650 31.840 32.500 -0.017 0.000 0.714 721 K HN 0.457 nan 8.250 nan 0.000 0.440 722 A N 0.943 123.714 122.820 -0.081 0.000 1.929 722 A HA -0.033 4.057 4.320 -0.383 0.000 0.216 722 A C 2.055 179.575 177.584 -0.108 0.000 1.176 722 A CA 0.969 52.955 52.037 -0.086 0.000 0.628 722 A CB -0.463 18.474 19.000 -0.106 0.000 0.816 722 A HN 0.305 nan 8.150 nan 0.000 0.444 723 L N -0.572 120.533 121.223 -0.197 0.000 2.056 723 L HA -0.142 3.968 4.340 -0.383 0.000 0.207 723 L C 2.494 179.378 176.870 0.023 0.000 1.078 723 L CA 0.951 55.678 54.840 -0.189 0.000 0.749 723 L CB -0.620 41.126 42.059 -0.522 0.000 0.901 723 L HN 0.229 nan 8.230 nan 0.000 0.433 724 V N -0.160 119.807 119.914 0.089 0.000 2.343 724 V HA -0.291 3.599 4.120 -0.383 0.000 0.247 724 V C 2.041 178.173 176.094 0.065 0.000 1.051 724 V CA 1.895 64.270 62.300 0.125 0.000 1.036 724 V CB -0.526 31.374 31.823 0.129 0.000 0.654 724 V HN 0.427 nan 8.190 nan 0.000 0.451 725 D N 0.268 120.688 120.400 0.033 0.000 2.218 725 D HA -0.110 4.300 4.640 -0.383 0.000 0.204 725 D C 1.788 178.102 176.300 0.023 0.000 0.976 725 D CA 1.691 55.704 54.000 0.021 0.000 0.853 725 D CB -0.069 40.735 40.800 0.007 0.000 0.939 725 D HN 0.570 nan 8.370 nan 0.000 0.481 726 V N -4.078 115.851 119.914 0.024 0.000 3.578 726 V HA 0.504 4.394 4.120 -0.383 0.000 0.290 726 V C 1.274 177.398 176.094 0.050 0.000 1.376 726 V CA 0.358 62.677 62.300 0.032 0.000 1.083 726 V CB 0.050 31.890 31.823 0.027 0.000 0.911 726 V HN 0.139 nan 8.190 nan 0.000 0.433 727 G N 0.576 109.414 108.800 0.063 0.000 2.182 727 G HA2 -0.174 3.556 3.960 -0.383 0.000 0.248 727 G HA3 -0.174 3.556 3.960 -0.383 0.000 0.248 727 G C 0.034 174.998 174.900 0.106 0.000 1.042 727 G CA 0.385 45.532 45.100 0.078 0.000 0.775 727 G HN 1.669 nan 8.290 nan 0.000 0.501 728 V N -0.634 119.361 119.914 0.135 0.000 2.509 728 V HA 0.713 4.603 4.120 -0.383 0.000 0.284 728 V C 0.149 176.424 176.094 0.302 0.000 1.047 728 V CA -0.405 62.010 62.300 0.191 0.000 0.952 728 V CB 1.770 33.703 31.823 0.184 0.000 0.988 728 V HN 0.307 nan 8.190 nan 0.000 0.469 729 D N 5.179 125.736 120.400 0.262 0.000 2.256 729 D HA 0.611 5.021 4.640 -0.383 0.000 0.250 729 D C -0.531 175.999 176.300 0.382 0.000 1.093 729 D CA 0.123 54.264 54.000 0.234 0.000 0.882 729 D CB 0.912 41.787 40.800 0.126 0.000 1.185 729 D HN 0.627 nan 8.370 nan 0.000 0.437 730 F N 0.001 120.026 119.950 0.125 0.000 2.779 730 F HA 0.517 4.815 4.527 -0.383 0.000 0.316 730 F C -1.441 174.415 175.800 0.093 0.000 1.164 730 F CA -1.144 56.952 58.000 0.160 0.000 0.924 730 F CB 0.901 40.028 39.000 0.211 0.000 1.348 730 F HN 0.056 nan 8.300 nan 0.000 0.467 731 Q N 1.338 121.204 119.800 0.110 0.000 2.306 731 Q HA 0.820 4.930 4.340 -0.383 0.000 0.265 731 Q C -0.943 175.035 176.000 -0.037 0.000 1.022 731 Q CA -0.901 54.876 55.803 -0.044 0.000 0.853 731 Q CB 2.155 30.912 28.738 0.031 0.000 1.327 731 Q HN 1.040 nan 8.270 nan 0.000 0.449 732 A N 1.563 124.337 122.820 -0.077 0.000 2.556 732 A HA 0.863 4.953 4.320 -0.383 0.000 0.294 732 A C -1.383 176.151 177.584 -0.083 0.000 1.091 732 A CA -0.578 51.448 52.037 -0.019 0.000 0.704 732 A CB 2.002 21.042 19.000 0.067 0.000 1.300 732 A HN 0.621 nan 8.150 nan 0.000 0.406 733 M N 1.321 120.856 119.600 -0.107 0.000 2.274 733 M HA 0.539 4.789 4.480 -0.383 0.000 0.272 733 M C -1.899 174.284 176.300 -0.195 0.000 1.053 733 M CA -0.417 54.672 55.300 -0.352 0.000 0.978 733 M CB 1.101 33.417 32.600 -0.474 0.000 1.836 733 M HN 0.951 nan 8.290 nan 0.000 0.484 734 W N 4.449 125.617 121.300 -0.220 0.000 2.381 734 W HA 0.745 5.175 4.660 -0.383 0.000 0.329 734 W C -1.930 174.347 176.519 -0.403 0.000 1.157 734 W CA -0.713 56.576 57.345 -0.092 0.000 1.240 734 W CB 0.279 29.709 29.460 -0.050 0.000 1.199 734 W HN 0.607 nan 8.180 nan 0.000 0.579 735 Y N 2.555 122.948 120.300 0.155 0.000 2.388 735 Y HA 0.291 4.612 4.550 -0.383 0.000 0.328 735 Y C 0.512 176.499 175.900 0.145 0.000 0.963 735 Y CA -1.050 57.062 58.100 0.020 0.000 1.240 735 Y CB 1.367 39.827 38.460 0.001 0.000 1.118 735 Y HN 0.425 nan 8.280 nan 0.000 0.484 736 T N 4.657 119.354 114.554 0.240 0.000 2.831 736 T HA -0.003 4.117 4.350 -0.383 0.000 0.291 736 T C 0.165 174.931 174.700 0.110 0.000 0.981 736 T CA 0.679 62.878 62.100 0.165 0.000 1.174 736 T CB -0.122 68.780 68.868 0.057 0.000 0.929 736 T HN 0.722 nan 8.240 nan 0.000 0.532 737 D N 0.705 121.153 120.400 0.079 0.000 2.946 737 D HA -0.119 4.291 4.640 -0.383 0.000 0.202 737 D C 0.250 176.671 176.300 0.202 0.000 1.068 737 D CA 1.113 55.101 54.000 -0.020 0.000 1.011 737 D CB -0.378 40.235 40.800 -0.312 0.000 1.105 737 D HN 0.537 nan 8.370 nan 0.000 0.425 738 E N 1.041 121.378 120.200 0.228 0.000 2.343 738 E HA 0.319 4.439 4.350 -0.383 0.000 0.269 738 E C 0.725 177.503 176.600 0.297 0.000 1.047 738 E CA -0.185 56.370 56.400 0.258 0.000 0.874 738 E CB 1.092 30.934 29.700 0.236 0.000 1.033 738 E HN 0.377 nan 8.360 nan 0.000 0.409 739 D N -0.151 120.439 120.400 0.317 0.000 2.560 739 D HA -0.001 4.410 4.640 -0.383 0.000 0.277 739 D C 1.095 177.633 176.300 0.398 0.000 1.194 739 D CA -0.194 54.020 54.000 0.356 0.000 1.092 739 D CB -0.155 40.882 40.800 0.395 0.000 1.169 739 D HN 0.383 nan 8.370 nan 0.000 0.607 740 H N -1.298 117.959 119.070 0.311 0.000 2.422 740 H HA 0.046 4.372 4.556 -0.384 0.000 0.298 740 H C 1.980 177.565 175.328 0.427 0.000 1.098 740 H CA 2.308 58.562 56.048 0.343 0.000 1.315 740 H CB -0.527 29.425 29.762 0.317 0.000 1.382 740 H HN 0.516 nan 8.280 nan 0.000 0.523 741 G N 0.045 109.038 108.800 0.321 0.000 2.448 741 G HA2 -0.086 3.644 3.960 -0.383 0.000 0.218 741 G HA3 -0.086 3.644 3.960 -0.383 0.000 0.218 741 G C 0.656 175.748 174.900 0.320 0.000 1.135 741 G CA 0.432 45.640 45.100 0.180 0.000 0.784 741 G HN 0.543 nan 8.290 nan 0.000 0.543 742 I N -0.011 120.762 120.570 0.340 0.000 6.373 742 I HA -0.305 3.635 4.170 -0.383 0.000 0.126 742 I C 1.349 177.591 176.117 0.209 0.000 1.554 742 I CA 0.133 61.575 61.300 0.237 0.000 2.468 742 I CB -1.104 36.990 38.000 0.156 0.000 2.951 742 I HN 0.253 nan 8.210 nan 0.000 0.282 743 A N 1.142 124.063 122.820 0.169 0.000 2.469 743 A HA 0.349 4.439 4.320 -0.383 0.000 0.245 743 A C 1.025 178.666 177.584 0.095 0.000 1.221 743 A CA 0.066 52.178 52.037 0.124 0.000 0.946 743 A CB 0.349 19.395 19.000 0.077 0.000 1.049 743 A HN 0.419 nan 8.150 nan 0.000 0.529 744 S N 0.308 116.073 115.700 0.109 0.000 2.558 744 S HA 0.078 4.318 4.470 -0.383 0.000 0.287 744 S C 1.586 176.245 174.600 0.098 0.000 1.321 744 S CA 0.519 58.776 58.200 0.094 0.000 1.048 744 S CB 1.162 64.419 63.200 0.095 0.000 0.844 744 S HN 0.576 nan 8.310 nan 0.000 0.512 745 S N 2.314 118.056 115.700 0.071 0.000 2.368 745 S HA -0.201 4.039 4.470 -0.383 0.000 0.226 745 S C 2.213 176.877 174.600 0.106 0.000 1.044 745 S CA 2.304 60.548 58.200 0.073 0.000 1.062 745 S CB -0.823 62.401 63.200 0.040 0.000 0.931 745 S HN 0.955 nan 8.310 nan 0.000 0.440 746 T N -0.287 114.319 114.554 0.087 0.000 2.812 746 T HA 0.213 4.333 4.350 -0.383 0.000 0.264 746 T C 1.993 176.756 174.700 0.105 0.000 1.042 746 T CA 1.241 63.395 62.100 0.089 0.000 1.140 746 T CB -0.905 68.007 68.868 0.073 0.000 0.870 746 T HN 0.455 nan 8.240 nan 0.000 0.445 747 A N 1.572 124.435 122.820 0.072 0.000 1.898 747 A HA -0.103 3.987 4.320 -0.383 0.000 0.216 747 A C 2.205 179.755 177.584 -0.056 0.000 1.181 747 A CA 2.057 54.074 52.037 -0.033 0.000 0.620 747 A CB -1.311 17.642 19.000 -0.079 0.000 0.819 747 A HN 0.743 nan 8.150 nan 0.000 0.442 748 H N -0.190 118.875 119.070 -0.009 0.000 2.319 748 H HA -0.170 4.155 4.556 -0.384 0.000 0.297 748 H C 2.121 177.529 175.328 0.133 0.000 1.097 748 H CA 2.441 58.539 56.048 0.083 0.000 1.285 748 H CB -0.202 29.608 29.762 0.079 0.000 1.368 748 H HN 0.585 nan 8.280 nan 0.000 0.495 749 Q N -1.195 118.623 119.800 0.030 0.000 2.119 749 Q HA -0.170 3.940 4.340 -0.383 0.000 0.201 749 Q C 2.209 178.206 176.000 -0.004 0.000 0.972 749 Q CA 1.229 57.013 55.803 -0.032 0.000 0.847 749 Q CB -0.132 28.620 28.738 0.023 0.000 0.903 749 Q HN 0.626 nan 8.270 nan 0.000 0.433 750 H N 0.756 119.807 119.070 -0.031 0.000 2.357 750 H HA -0.062 4.264 4.556 -0.383 0.000 0.301 750 H C 1.983 177.320 175.328 0.015 0.000 1.082 750 H CA 1.220 57.282 56.048 0.023 0.000 1.342 750 H CB -0.021 29.801 29.762 0.100 0.000 1.389 750 H HN 0.278 nan 8.280 nan 0.000 0.511 751 I N 0.046 120.622 120.570 0.010 0.000 2.252 751 I HA -0.321 3.620 4.170 -0.383 0.000 0.245 751 I C 1.788 177.716 176.117 -0.315 0.000 1.102 751 I CA 1.242 62.462 61.300 -0.134 0.000 1.385 751 I CB -0.269 37.450 38.000 -0.469 0.000 1.064 751 I HN 0.162 nan 8.210 nan 0.000 0.414 752 Y N 0.766 120.878 120.300 -0.314 0.000 2.263 752 Y HA -0.211 4.109 4.550 -0.384 0.000 0.292 752 Y C 2.696 178.428 175.900 -0.279 0.000 1.130 752 Y CA 1.862 59.674 58.100 -0.481 0.000 1.179 752 Y CB -0.568 37.610 38.460 -0.470 0.000 0.998 752 Y HN 0.141 nan 8.280 nan 0.000 0.532 753 T N -1.517 112.998 114.554 -0.065 0.000 2.746 753 T HA -0.261 3.859 4.350 -0.383 0.000 0.267 753 T C 1.494 176.135 174.700 -0.099 0.000 1.039 753 T CA 1.966 63.989 62.100 -0.129 0.000 1.142 753 T CB -0.458 68.326 68.868 -0.140 0.000 0.866 753 T HN 0.415 nan 8.240 nan 0.000 0.444 754 H N 1.067 120.060 119.070 -0.129 0.000 2.326 754 H HA 0.127 4.453 4.556 -0.383 0.000 0.301 754 H C 2.195 177.542 175.328 0.032 0.000 1.081 754 H CA 1.502 57.541 56.048 -0.013 0.000 1.334 754 H CB -0.321 29.421 29.762 -0.035 0.000 1.385 754 H HN 0.246 nan 8.280 nan 0.000 0.504 755 M N -0.632 118.919 119.600 -0.082 0.000 2.149 755 M HA -0.177 4.073 4.480 -0.383 0.000 0.261 755 M C 2.356 178.796 176.300 0.234 0.000 1.064 755 M CA 1.600 56.849 55.300 -0.084 0.000 1.102 755 M CB -0.125 32.165 32.600 -0.518 0.000 1.369 755 M HN 0.206 nan 8.290 nan 0.000 0.408 756 S N -0.588 115.278 115.700 0.276 0.000 2.355 756 S HA -0.149 4.091 4.470 -0.383 0.000 0.222 756 S C 1.590 176.302 174.600 0.187 0.000 1.031 756 S CA 1.225 59.663 58.200 0.398 0.000 0.993 756 S CB -0.633 62.779 63.200 0.354 0.000 0.859 756 S HN 0.558 nan 8.310 nan 0.000 0.453 757 H N -0.396 118.753 119.070 0.131 0.000 2.353 757 H HA -0.117 4.209 4.556 -0.383 0.000 0.298 757 H C 1.930 177.273 175.328 0.025 0.000 1.103 757 H CA 1.811 57.888 56.048 0.049 0.000 1.293 757 H CB -0.220 29.534 29.762 -0.014 0.000 1.372 757 H HN 0.374 nan 8.280 nan 0.000 0.501 758 F N 0.860 120.808 119.950 -0.005 0.000 2.102 758 F HA -0.202 4.094 4.527 -0.384 0.000 0.298 758 F C 2.091 177.845 175.800 -0.077 0.000 1.105 758 F CA 1.034 58.992 58.000 -0.069 0.000 1.239 758 F CB -0.143 38.783 39.000 -0.124 0.000 0.991 758 F HN 0.046 nan 8.300 nan 0.000 0.474 759 I N 0.563 121.155 120.570 0.036 0.000 2.252 759 I HA -0.259 3.681 4.170 -0.383 0.000 0.245 759 I C 2.255 178.166 176.117 -0.344 0.000 1.102 759 I CA 1.453 62.600 61.300 -0.255 0.000 1.385 759 I CB -1.257 36.674 38.000 -0.116 0.000 1.064 759 I HN 0.203 nan 8.210 nan 0.000 0.414 760 K N 0.655 121.008 120.400 -0.078 0.000 2.057 760 K HA -0.251 3.839 4.320 -0.383 0.000 0.207 760 K C 2.070 178.658 176.600 -0.019 0.000 1.049 760 K CA 1.830 58.127 56.287 0.015 0.000 0.931 760 K CB -0.144 32.416 32.500 0.100 0.000 0.714 760 K HN 0.423 nan 8.250 nan 0.000 0.440 761 Q N 0.694 120.443 119.800 -0.086 0.000 2.084 761 Q HA -0.192 3.919 4.340 -0.383 0.000 0.202 761 Q C 2.224 178.127 176.000 -0.162 0.000 0.978 761 Q CA 1.957 57.693 55.803 -0.113 0.000 0.844 761 Q CB -1.227 27.431 28.738 -0.134 0.000 0.898 761 Q HN 0.321 nan 8.270 nan 0.000 0.426 762 c N -0.320 118.075 118.600 -0.341 0.000 2.401 762 c HA -0.077 4.263 4.570 -0.383 0.000 0.276 762 c C 1.737 175.836 174.090 0.014 0.000 1.233 762 c CA 0.646 56.788 56.329 -0.311 0.000 1.753 762 c CB -1.228 40.932 42.510 -0.585 0.000 2.029 762 c HN 0.634 nan 8.230 nan 0.000 0.478 763 F N 1.335 121.252 119.950 -0.055 0.000 2.732 763 F HA 0.255 4.552 4.527 -0.384 0.000 0.303 763 F C 1.636 177.426 175.800 -0.018 0.000 1.110 763 F CA 0.424 58.412 58.000 -0.020 0.000 1.355 763 F CB -1.179 37.817 39.000 -0.007 0.000 1.081 763 F HN 0.201 nan 8.300 nan 0.000 0.565 764 S N 0.912 116.696 115.700 0.139 0.000 3.749 764 S HA -0.195 4.045 4.470 -0.383 0.000 0.348 764 S C -0.096 174.549 174.600 0.076 0.000 1.045 764 S CA 0.108 58.354 58.200 0.076 0.000 1.051 764 S CB -1.961 61.273 63.200 0.056 0.000 0.898 764 S HN 0.240 nan 8.310 nan 0.000 0.472 765 L N 2.086 123.366 121.223 0.094 0.000 2.280 765 L HA 0.437 4.547 4.340 -0.383 0.000 0.287 765 L C -1.209 175.708 176.870 0.079 0.000 1.023 765 L CA -1.938 52.957 54.840 0.090 0.000 0.819 765 L CB 0.894 43.026 42.059 0.123 0.000 1.212 765 L HN 0.073 nan 8.230 nan 0.000 0.420 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.137 63.100 0.062 0.000 0.800 766 P CB 0.000 31.729 31.700 0.048 0.000 0.726