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 1tk3_1_A DATA FIRST_RESID 39 DATA SEQUENCE SRKTYTLTDY LKNTYRLKLY SLRWISDHEY LYKQENNILV FNAEYGNSSV DATA SEQUENCE FLENSTFDEF GHSINDYSIS PDGQFILLEY NYVKQWRHSY TASYDIYDLN DATA SEQUENCE KRQLITEERI PNNTQWVTWS PVGHKLAYVW NNDIYVKIEP NLPSYRITWT DATA SEQUENCE GKEDIIYNGI TDWVYEEEVF SAYSALWWSP NGTFLAYAQF NDTEVPLIEY DATA SEQUENCE SFYSDESLQY PKTVRVPYPK AGAVNPTVKF FVVNTDSLSS VTNATSIQIT DATA SEQUENCE APASMLIGDH YLCDVTWATQ ERISLQWLRR IQNYSVMDIc DYDESSGRWN DATA SEQUENCE cLVARQHIEM STTGWVGRFR PSEPHFTLDG NSFYKIISNE EGYRHIcYFQ DATA SEQUENCE IDKKDcTFIT KGTWEVIGIE ALTSDYLYYI SNEYKGMPGG RNLYKIQLSD DATA SEQUENCE YTKVTCLSCE LNPERcQYYS VSFSKEAKYY QLRcSGPGLP LYTLHSSVND DATA SEQUENCE KGLRVLEDNS ALDKMLQNVQ MPSKKLDFII LNETKFWYQM ILPPHFDKSK DATA SEQUENCE KYPLLLDVYA GPCSQKADTV FRLNWATYLA STENIIVASF DGRGSGYQGD DATA SEQUENCE KIMHAINRRL GTFEVEDQIE AARQFSKMGF VDNKRIAIWG WSYGGYVTSM DATA SEQUENCE VLGSGSGVFK cGIAVAPVSR WEYYDSVYTE RYMGLPTPED NLDHYRNSTV DATA SEQUENCE MSRAENFKQV EYLLIHGTAD DNVHFQQSAQ ISKALVDVGV DFQAMWYTDE DATA SEQUENCE DHGIASSTAH QHIYTHMSHF IKQcFS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 39 S HA 0.000 nan 4.470 nan 0.000 0.327 39 S C 0.000 174.658 174.600 0.097 0.000 1.055 39 S CA 0.000 58.245 58.200 0.075 0.000 1.107 39 S CB 0.000 63.248 63.200 0.080 0.000 0.593 40 R N 0.058 120.607 120.500 0.081 0.000 4.056 40 R HA -0.059 4.281 4.340 0.000 0.000 0.410 40 R C -0.523 175.833 176.300 0.095 0.000 0.286 40 R CA 0.263 56.413 56.100 0.084 0.000 1.305 40 R CB -0.590 29.759 30.300 0.083 0.000 1.231 40 R HN 0.692 nan 8.270 nan 0.000 0.471 41 K N 0.865 121.326 120.400 0.101 0.000 2.155 41 K HA 0.412 4.732 4.320 0.000 0.000 0.237 41 K C 0.075 176.752 176.600 0.128 0.000 1.040 41 K CA 0.129 56.483 56.287 0.113 0.000 0.912 41 K CB 0.800 33.372 32.500 0.119 0.000 1.137 41 K HN 0.736 nan 8.250 nan 0.000 0.498 42 T N -2.785 111.855 114.554 0.143 0.000 2.937 42 T HA 0.260 4.610 4.350 0.000 0.000 0.283 42 T C -0.572 174.273 174.700 0.240 0.000 1.012 42 T CA -0.715 61.486 62.100 0.169 0.000 0.997 42 T CB 0.437 69.398 68.868 0.156 0.000 1.136 42 T HN 0.466 nan 8.240 nan 0.000 0.551 43 Y N 2.472 122.857 120.300 0.142 0.000 2.504 43 Y HA 0.397 4.947 4.550 0.000 0.000 0.351 43 Y C 0.904 176.963 175.900 0.265 0.000 0.988 43 Y CA -0.511 57.712 58.100 0.207 0.000 1.239 43 Y CB -0.218 38.331 38.460 0.149 0.000 1.128 43 Y HN 1.020 nan 8.280 nan 0.000 0.525 44 T N 2.197 116.741 114.554 -0.016 0.000 2.824 44 T HA 0.117 4.467 4.350 0.000 0.000 0.277 44 T C 1.004 175.560 174.700 -0.240 0.000 0.975 44 T CA -0.655 61.455 62.100 0.016 0.000 0.966 44 T CB 1.102 69.958 68.868 -0.021 0.000 1.054 44 T HN 0.675 nan 8.240 nan 0.000 0.533 45 L N 0.836 121.748 121.223 -0.519 0.000 2.083 45 L HA 0.034 4.375 4.340 0.000 0.000 0.209 45 L C 2.657 179.353 176.870 -0.290 0.000 1.083 45 L CA 2.108 56.537 54.840 -0.685 0.000 0.752 45 L CB -1.443 40.097 42.059 -0.866 0.000 0.899 45 L HN 0.957 nan 8.230 nan 0.000 0.433 46 T N -0.597 113.815 114.554 -0.236 0.000 2.788 46 T HA -0.147 4.203 4.350 0.000 0.000 0.268 46 T C 1.470 176.056 174.700 -0.190 0.000 1.044 46 T CA 1.372 63.368 62.100 -0.174 0.000 1.139 46 T CB -0.339 68.454 68.868 -0.126 0.000 0.867 46 T HN 0.401 nan 8.240 nan 0.000 0.454 47 D N 0.210 120.457 120.400 -0.256 0.000 2.104 47 D HA -0.098 4.542 4.640 0.000 0.000 0.194 47 D C 1.762 177.932 176.300 -0.217 0.000 0.994 47 D CA 1.117 54.928 54.000 -0.315 0.000 0.830 47 D CB -0.383 40.117 40.800 -0.500 0.000 0.959 47 D HN 0.415 nan 8.370 nan 0.000 0.452 48 Y N 1.669 121.745 120.300 -0.373 0.000 2.109 48 Y HA -0.118 4.433 4.550 0.000 0.000 0.285 48 Y C 2.250 178.139 175.900 -0.019 0.000 1.131 48 Y CA 1.259 59.326 58.100 -0.055 0.000 1.121 48 Y CB -0.732 37.755 38.460 0.045 0.000 0.987 48 Y HN -0.116 nan 8.280 nan 0.000 0.495 49 L N 0.140 121.141 121.223 -0.370 0.000 2.191 49 L HA -0.194 4.146 4.340 0.000 0.000 0.212 49 L C 1.947 178.689 176.870 -0.213 0.000 1.103 49 L CA 1.354 55.952 54.840 -0.402 0.000 0.769 49 L CB -0.459 41.440 42.059 -0.267 0.000 0.908 49 L HN 0.132 nan 8.230 nan 0.000 0.438 50 K N -0.348 119.955 120.400 -0.162 0.000 2.374 50 K HA 0.066 4.386 4.320 0.000 0.000 0.196 50 K C 0.126 176.672 176.600 -0.091 0.000 1.023 50 K CA -0.050 56.170 56.287 -0.110 0.000 1.103 50 K CB -0.174 32.262 32.500 -0.106 0.000 0.848 50 K HN 0.286 nan 8.250 nan 0.000 0.528 51 N N 1.397 120.050 118.700 -0.079 0.000 2.727 51 N HA -0.194 4.546 4.740 0.000 0.000 0.251 51 N C 0.071 175.560 175.510 -0.036 0.000 1.040 51 N CA 0.265 53.310 53.050 -0.008 0.000 0.712 51 N CB -0.427 38.053 38.487 -0.010 0.000 0.912 51 N HN 0.061 nan 8.380 nan 0.000 0.545 52 T N -0.129 114.353 114.554 -0.120 0.000 2.708 52 T HA -0.150 4.200 4.350 0.000 0.000 0.266 52 T C 0.227 174.728 174.700 -0.332 0.000 1.037 52 T CA 1.354 63.264 62.100 -0.316 0.000 1.146 52 T CB -0.117 68.400 68.868 -0.585 0.000 0.865 52 T HN 0.357 nan 8.240 nan 0.000 0.435 53 Y N 1.846 122.252 120.300 0.177 0.000 2.504 53 Y HA 0.481 5.032 4.550 0.000 0.000 0.339 53 Y C 0.450 176.460 175.900 0.183 0.000 0.974 53 Y CA -1.248 56.969 58.100 0.195 0.000 1.232 53 Y CB 0.326 38.952 38.460 0.276 0.000 1.108 53 Y HN -0.050 nan 8.280 nan 0.000 0.509 54 R N 3.887 124.529 120.500 0.238 0.000 2.346 54 R HA 0.531 4.871 4.340 0.000 0.000 0.311 54 R C -1.091 175.317 176.300 0.180 0.000 0.983 54 R CA -0.635 55.574 56.100 0.180 0.000 0.880 54 R CB 0.751 31.116 30.300 0.108 0.000 1.100 54 R HN 0.727 nan 8.270 nan 0.000 0.453 55 L N 4.519 125.850 121.223 0.180 0.000 2.380 55 L HA 0.236 4.576 4.340 0.000 0.000 0.273 55 L C 0.429 177.382 176.870 0.137 0.000 1.138 55 L CA 0.119 55.065 54.840 0.177 0.000 0.832 55 L CB 0.822 43.001 42.059 0.201 0.000 1.124 55 L HN 0.518 nan 8.230 nan 0.000 0.454 56 K N 3.421 123.898 120.400 0.128 0.000 2.118 56 K HA 0.618 4.938 4.320 0.000 0.000 0.267 56 K C -0.841 175.796 176.600 0.061 0.000 0.991 56 K CA -0.633 55.702 56.287 0.081 0.000 0.916 56 K CB 1.462 34.004 32.500 0.069 0.000 1.041 56 K HN 0.260 nan 8.250 nan 0.000 0.455 57 L N 0.996 122.186 121.223 -0.055 0.000 2.211 57 L HA 0.463 4.803 4.340 0.000 0.000 0.259 57 L C -0.984 175.620 176.870 -0.442 0.000 1.031 57 L CA -0.808 53.863 54.840 -0.282 0.000 0.877 57 L CB 0.512 42.534 42.059 -0.061 0.000 1.457 57 L HN 0.484 nan 8.230 nan 0.000 0.466 58 Y N -0.098 119.716 120.300 -0.809 0.000 2.520 58 Y HA 0.407 4.957 4.550 0.000 0.000 0.339 58 Y C -0.715 175.090 175.900 -0.159 0.000 1.113 58 Y CA -0.447 57.410 58.100 -0.405 0.000 1.255 58 Y CB 1.134 39.205 38.460 -0.649 0.000 1.099 58 Y HN 0.455 nan 8.280 nan 0.000 0.628 59 S N 5.283 120.926 115.700 -0.096 0.000 2.405 59 S HA 0.466 4.936 4.470 0.000 0.000 0.291 59 S C -0.536 174.015 174.600 -0.082 0.000 1.137 59 S CA -0.384 57.782 58.200 -0.056 0.000 1.061 59 S CB -0.458 62.696 63.200 -0.078 0.000 1.001 59 S HN 0.534 nan 8.310 nan 0.000 0.507 60 L N 1.733 122.913 121.223 -0.071 0.000 2.303 60 L HA 0.791 5.132 4.340 0.000 0.000 0.266 60 L C -0.180 176.609 176.870 -0.136 0.000 1.011 60 L CA -0.826 53.928 54.840 -0.145 0.000 0.818 60 L CB 0.968 42.699 42.059 -0.547 0.000 1.326 60 L HN 0.268 nan 8.230 nan 0.000 0.435 61 R N 0.933 121.388 120.500 -0.076 0.000 2.483 61 R HA 0.315 4.655 4.340 0.000 0.000 0.303 61 R C -1.859 174.497 176.300 0.094 0.000 0.987 61 R CA -0.419 55.699 56.100 0.029 0.000 0.881 61 R CB 1.091 31.439 30.300 0.080 0.000 1.177 61 R HN 0.850 nan 8.270 nan 0.000 0.451 62 W N 5.236 126.641 121.300 0.175 0.000 2.308 62 W HA 0.102 4.762 4.660 0.000 0.000 0.324 62 W C 1.762 178.378 176.519 0.161 0.000 1.387 62 W CA -0.340 57.127 57.345 0.203 0.000 1.250 62 W CB 0.488 30.056 29.460 0.180 0.000 1.257 62 W HN 0.592 nan 8.180 nan 0.000 0.554 63 I N 0.502 121.317 120.570 0.407 0.000 4.018 63 I HA 0.293 4.463 4.170 0.000 0.000 0.337 63 I C 0.633 176.900 176.117 0.251 0.000 1.327 63 I CA -0.044 61.404 61.300 0.248 0.000 1.100 63 I CB -0.245 37.841 38.000 0.143 0.000 1.025 63 I HN 0.275 nan 8.210 nan 0.000 0.396 64 S N -0.595 115.305 115.700 0.333 0.000 2.714 64 S HA 0.219 4.689 4.470 0.000 0.000 0.280 64 S C -0.212 174.523 174.600 0.225 0.000 1.200 64 S CA -0.256 58.108 58.200 0.273 0.000 0.900 64 S CB 1.205 64.591 63.200 0.310 0.000 1.235 64 S HN 0.057 nan 8.310 nan 0.000 0.512 65 D N -0.683 119.789 120.400 0.120 0.000 2.340 65 D HA 0.249 4.890 4.640 0.000 0.000 0.220 65 D C 0.858 176.973 176.300 -0.308 0.000 1.039 65 D CA 0.962 54.846 54.000 -0.193 0.000 0.866 65 D CB -0.046 40.562 40.800 -0.321 0.000 0.913 65 D HN 0.603 nan 8.370 nan 0.000 0.523 66 H N -1.703 117.539 119.070 0.287 0.000 3.400 66 H HA 0.437 4.993 4.556 0.000 0.000 0.251 66 H C 0.061 175.558 175.328 0.281 0.000 1.040 66 H CA -0.196 56.033 56.048 0.302 0.000 1.175 66 H CB 0.759 30.651 29.762 0.218 0.000 1.487 66 H HN -0.018 nan 8.280 nan 0.000 0.505 67 E N 0.360 120.841 120.200 0.470 0.000 2.378 67 E HA 0.442 4.792 4.350 0.000 0.000 0.265 67 E C -1.467 175.392 176.600 0.431 0.000 0.932 67 E CA -1.315 55.279 56.400 0.324 0.000 0.795 67 E CB 2.937 32.748 29.700 0.184 0.000 1.296 67 E HN 0.186 nan 8.360 nan 0.000 0.438 68 Y N -1.425 118.936 120.300 0.102 0.000 2.581 68 Y HA 0.562 5.112 4.550 0.000 0.000 0.337 68 Y C -1.843 174.049 175.900 -0.013 0.000 1.108 68 Y CA -1.251 56.799 58.100 -0.083 0.000 1.033 68 Y CB 0.650 38.704 38.460 -0.677 0.000 1.318 68 Y HN 0.343 nan 8.280 nan 0.000 0.459 69 L N 3.143 124.474 121.223 0.180 0.000 2.343 69 L HA 0.424 4.764 4.340 0.000 0.000 0.275 69 L C -1.249 175.762 176.870 0.234 0.000 1.056 69 L CA -0.987 53.923 54.840 0.116 0.000 0.804 69 L CB 1.248 43.285 42.059 -0.036 0.000 1.203 69 L HN 0.766 nan 8.230 nan 0.000 0.440 70 Y N 2.815 123.136 120.300 0.036 0.000 2.402 70 Y HA 0.326 4.876 4.550 0.000 0.000 0.325 70 Y C -0.483 175.355 175.900 -0.103 0.000 1.009 70 Y CA -1.207 56.839 58.100 -0.090 0.000 1.278 70 Y CB 0.810 39.161 38.460 -0.182 0.000 1.105 70 Y HN 0.423 nan 8.280 nan 0.000 0.476 71 K N 5.185 125.273 120.400 -0.521 0.000 2.350 71 K HA 0.220 4.540 4.320 0.000 0.000 0.279 71 K C -0.297 175.930 176.600 -0.622 0.000 1.027 71 K CA -0.043 55.977 56.287 -0.444 0.000 0.969 71 K CB 0.959 33.279 32.500 -0.300 0.000 0.954 71 K HN 0.728 nan 8.250 nan 0.000 0.474 72 Q N 0.861 120.444 119.800 -0.362 0.000 3.156 72 Q HA 0.076 4.416 4.340 0.000 0.000 0.301 72 Q C 0.507 176.410 176.000 -0.162 0.000 1.026 72 Q CA -0.695 54.944 55.803 -0.273 0.000 0.827 72 Q CB 0.946 29.598 28.738 -0.143 0.000 1.490 72 Q HN 0.497 nan 8.270 nan 0.000 0.492 73 E N 0.281 120.421 120.200 -0.100 0.000 2.086 73 E HA -0.054 4.296 4.350 0.000 0.000 0.190 73 E C 0.614 177.190 176.600 -0.040 0.000 0.975 73 E CA 1.532 57.897 56.400 -0.058 0.000 0.813 73 E CB 0.194 29.872 29.700 -0.036 0.000 0.768 73 E HN 0.408 nan 8.360 nan 0.000 0.457 74 N N 0.351 119.024 118.700 -0.045 0.000 2.184 74 N HA 0.135 4.875 4.740 0.000 0.000 0.206 74 N C -0.911 174.560 175.510 -0.066 0.000 1.151 74 N CA 0.064 53.091 53.050 -0.038 0.000 0.878 74 N CB 0.494 38.966 38.487 -0.026 0.000 1.014 74 N HN 0.232 nan 8.380 nan 0.000 0.512 75 N N -0.621 118.021 118.700 -0.097 0.000 3.405 75 N HA 0.162 4.902 4.740 0.000 0.000 0.292 75 N C -1.697 173.729 175.510 -0.140 0.000 1.456 75 N CA -0.491 52.485 53.050 -0.123 0.000 0.861 75 N CB 1.007 39.450 38.487 -0.073 0.000 1.643 75 N HN -0.207 nan 8.380 nan 0.000 0.474 76 I N 0.573 121.085 120.570 -0.097 0.000 2.499 76 I HA 0.434 4.604 4.170 0.000 0.000 0.288 76 I C -0.740 175.418 176.117 0.069 0.000 1.048 76 I CA -0.683 60.581 61.300 -0.060 0.000 1.062 76 I CB 1.979 39.904 38.000 -0.124 0.000 1.238 76 I HN 0.324 nan 8.210 nan 0.000 0.426 77 L N 6.046 127.348 121.223 0.131 0.000 2.330 77 L HA 0.681 5.021 4.340 0.000 0.000 0.271 77 L C -0.488 176.508 176.870 0.211 0.000 1.013 77 L CA -1.153 53.793 54.840 0.176 0.000 0.816 77 L CB 2.329 44.525 42.059 0.227 0.000 1.287 77 L HN 0.309 nan 8.230 nan 0.000 0.435 78 V N 2.045 122.028 119.914 0.115 0.000 2.417 78 V HA 0.519 4.639 4.120 0.000 0.000 0.291 78 V C -0.932 175.103 176.094 -0.098 0.000 1.024 78 V CA -0.200 62.145 62.300 0.075 0.000 0.861 78 V CB 1.342 33.251 31.823 0.142 0.000 0.985 78 V HN 0.485 nan 8.190 nan 0.000 0.436 79 F N 5.361 125.034 119.950 -0.462 0.000 2.458 79 F HA 0.499 5.026 4.527 0.000 0.000 0.330 79 F C 0.538 176.066 175.800 -0.454 0.000 1.082 79 F CA -0.547 57.108 58.000 -0.574 0.000 0.995 79 F CB 1.659 40.010 39.000 -1.083 0.000 1.170 79 F HN 0.518 nan 8.300 nan 0.000 0.478 80 N N 2.010 120.649 118.700 -0.102 0.000 2.426 80 N HA 0.241 4.982 4.740 0.000 0.000 0.257 80 N C 0.353 175.827 175.510 -0.061 0.000 1.002 80 N CA 0.052 53.081 53.050 -0.035 0.000 0.942 80 N CB 1.810 40.319 38.487 0.038 0.000 1.112 80 N HN 0.804 nan 8.380 nan 0.000 0.499 81 A N 3.684 126.432 122.820 -0.119 0.000 1.933 81 A HA -0.170 4.150 4.320 0.000 0.000 0.218 81 A C 1.873 179.232 177.584 -0.374 0.000 1.175 81 A CA 1.529 53.398 52.037 -0.279 0.000 0.628 81 A CB -0.441 18.140 19.000 -0.697 0.000 0.814 81 A HN 0.805 nan 8.150 nan 0.000 0.444 82 E N -0.713 119.263 120.200 -0.373 0.000 2.038 82 E HA -0.201 4.149 4.350 0.000 0.000 0.195 82 E C 1.464 177.801 176.600 -0.438 0.000 1.000 82 E CA 2.098 58.261 56.400 -0.395 0.000 0.803 82 E CB -0.403 28.894 29.700 -0.672 0.000 0.750 82 E HN 0.703 nan 8.360 nan 0.000 0.448 83 Y N -2.121 118.197 120.300 0.029 0.000 2.524 83 Y HA 0.394 4.944 4.550 0.000 0.000 0.270 83 Y C 1.787 177.693 175.900 0.009 0.000 1.094 83 Y CA 0.397 58.507 58.100 0.017 0.000 1.276 83 Y CB 0.575 39.038 38.460 0.006 0.000 1.130 83 Y HN 0.224 nan 8.280 nan 0.000 0.536 84 G N 0.503 109.380 108.800 0.129 0.000 2.179 84 G HA2 -0.274 3.686 3.960 0.000 0.000 0.220 84 G HA3 -0.274 3.686 3.960 0.000 0.000 0.220 84 G C 0.015 174.969 174.900 0.089 0.000 0.990 84 G CA 0.016 45.198 45.100 0.137 0.000 0.646 84 G HN 0.430 nan 8.290 nan 0.000 0.517 85 N N 0.792 119.506 118.700 0.023 0.000 2.467 85 N HA 0.617 5.357 4.740 0.000 0.000 0.262 85 N C 0.139 175.444 175.510 -0.341 0.000 1.234 85 N CA 0.705 53.687 53.050 -0.114 0.000 0.952 85 N CB 1.545 40.000 38.487 -0.054 0.000 1.158 85 N HN 0.974 nan 8.380 nan 0.000 0.463 86 S N -0.946 114.465 115.700 -0.482 0.000 2.685 86 S HA 0.755 5.225 4.470 0.000 0.000 0.282 86 S C -0.993 173.385 174.600 -0.370 0.000 1.159 86 S CA -0.828 56.962 58.200 -0.683 0.000 0.833 86 S CB 1.449 63.713 63.200 -1.560 0.000 1.151 86 S HN 0.638 nan 8.310 nan 0.000 0.485 87 S N -0.186 115.341 115.700 -0.289 0.000 2.588 87 S HA 0.645 5.115 4.470 0.000 0.000 0.275 87 S C -1.077 173.468 174.600 -0.092 0.000 1.130 87 S CA -0.730 57.377 58.200 -0.155 0.000 0.855 87 S CB 1.643 64.778 63.200 -0.108 0.000 1.116 87 S HN 0.760 nan 8.310 nan 0.000 0.472 88 V N 2.525 122.398 119.914 -0.068 0.000 2.498 88 V HA 0.277 4.397 4.120 0.000 0.000 0.279 88 V C 0.286 176.379 176.094 -0.001 0.000 1.048 88 V CA 0.046 62.333 62.300 -0.023 0.000 0.967 88 V CB 0.617 32.411 31.823 -0.048 0.000 0.988 88 V HN 0.954 nan 8.190 nan 0.000 0.473 89 F N 5.575 125.485 119.950 -0.066 0.000 2.387 89 F HA 0.326 4.853 4.527 0.000 0.000 0.294 89 F C 0.370 176.133 175.800 -0.062 0.000 1.093 89 F CA 0.458 58.426 58.000 -0.054 0.000 1.420 89 F CB 0.613 39.591 39.000 -0.037 0.000 1.086 89 F HN 0.383 nan 8.300 nan 0.000 0.531 90 L N -1.242 120.031 121.223 0.084 0.000 2.765 90 L HA 0.323 4.663 4.340 0.000 0.000 0.254 90 L C -0.655 176.163 176.870 -0.087 0.000 0.939 90 L CA -0.647 54.173 54.840 -0.033 0.000 0.949 90 L CB 0.933 42.999 42.059 0.011 0.000 1.521 90 L HN -0.161 nan 8.230 nan 0.000 0.434 91 E N 1.431 121.549 120.200 -0.138 0.000 2.403 91 E HA 0.182 4.532 4.350 0.000 0.000 0.187 91 E C 0.507 177.025 176.600 -0.137 0.000 1.073 91 E CA 0.562 56.888 56.400 -0.124 0.000 0.888 91 E CB -0.026 29.610 29.700 -0.107 0.000 1.035 91 E HN 0.786 nan 8.360 nan 0.000 0.471 92 N N -1.054 117.543 118.700 -0.172 0.000 2.289 92 N HA -0.348 4.392 4.740 0.000 0.000 0.225 92 N C 1.154 176.614 175.510 -0.083 0.000 0.871 92 N CA 2.055 55.070 53.050 -0.057 0.000 2.759 92 N CB -1.613 36.871 38.487 -0.006 0.000 0.818 92 N HN 0.336 nan 8.380 nan 0.000 0.471 93 S N -1.637 113.996 115.700 -0.111 0.000 2.493 93 S HA -0.085 4.385 4.470 0.000 0.000 0.243 93 S C 1.592 176.076 174.600 -0.194 0.000 0.991 93 S CA 1.608 59.751 58.200 -0.094 0.000 0.957 93 S CB -0.575 62.579 63.200 -0.078 0.000 0.756 93 S HN 0.474 nan 8.310 nan 0.000 0.521 94 T N 1.327 115.630 114.554 -0.418 0.000 2.897 94 T HA 0.034 4.384 4.350 0.000 0.000 0.271 94 T C 0.240 174.495 174.700 -0.742 0.000 1.084 94 T CA 1.062 62.747 62.100 -0.692 0.000 1.123 94 T CB -0.435 67.724 68.868 -1.181 0.000 0.865 94 T HN 0.625 nan 8.240 nan 0.000 0.496 95 F N 0.475 120.378 119.950 -0.079 0.000 2.735 95 F HA 0.365 4.892 4.527 0.000 0.000 0.304 95 F C 1.161 176.987 175.800 0.043 0.000 1.119 95 F CA -1.427 56.555 58.000 -0.030 0.000 1.280 95 F CB -0.029 38.891 39.000 -0.133 0.000 0.994 95 F HN -0.044 nan 8.300 nan 0.000 0.520 96 D N 1.322 121.788 120.400 0.110 0.000 2.228 96 D HA -0.176 4.464 4.640 0.000 0.000 0.203 96 D C 0.996 177.352 176.300 0.093 0.000 0.988 96 D CA 1.378 55.429 54.000 0.085 0.000 0.864 96 D CB 0.002 40.819 40.800 0.028 0.000 0.928 96 D HN 0.568 nan 8.370 nan 0.000 0.469 97 E N -0.538 119.731 120.200 0.115 0.000 3.388 97 E HA 0.080 4.430 4.350 0.000 0.000 0.214 97 E C 0.486 177.172 176.600 0.143 0.000 1.040 97 E CA -0.432 56.019 56.400 0.084 0.000 1.327 97 E CB -0.259 29.468 29.700 0.046 0.000 1.243 97 E HN 0.013 nan 8.360 nan 0.000 0.444 98 F N 1.714 121.676 119.950 0.021 0.000 2.512 98 F HA 0.273 4.800 4.527 0.000 0.000 0.296 98 F C 1.616 177.346 175.800 -0.115 0.000 1.110 98 F CA 1.366 59.366 58.000 0.000 0.000 1.446 98 F CB 0.389 39.381 39.000 -0.014 0.000 1.092 98 F HN 0.394 nan 8.300 nan 0.000 0.554 99 G N -0.319 108.334 108.800 -0.246 0.000 2.175 99 G HA2 -0.216 3.744 3.960 0.000 0.000 0.244 99 G HA3 -0.216 3.744 3.960 0.000 0.000 0.244 99 G C 0.107 174.507 174.900 -0.832 0.000 0.982 99 G CA 0.289 45.070 45.100 -0.532 0.000 0.641 99 G HN 0.548 nan 8.290 nan 0.000 0.527 100 H N -0.563 118.360 119.070 -0.245 0.000 2.980 100 H HA 0.627 5.183 4.556 0.000 0.000 0.367 100 H C -0.679 174.672 175.328 0.039 0.000 1.206 100 H CA 0.029 55.986 56.048 -0.151 0.000 1.126 100 H CB 1.612 31.092 29.762 -0.470 0.000 1.838 100 H HN 0.176 nan 8.280 nan 0.000 0.552 101 S N 1.918 117.720 115.700 0.170 0.000 2.430 101 S HA 0.346 4.816 4.470 0.000 0.000 0.289 101 S C 0.049 174.698 174.600 0.082 0.000 1.143 101 S CA -0.704 57.560 58.200 0.105 0.000 1.067 101 S CB -0.630 62.615 63.200 0.076 0.000 0.964 101 S HN 0.361 nan 8.310 nan 0.000 0.485 102 I N 5.983 126.544 120.570 -0.016 0.000 2.352 102 I HA 0.222 4.392 4.170 0.000 0.000 0.290 102 I C 1.346 177.358 176.117 -0.175 0.000 1.036 102 I CA -0.448 60.743 61.300 -0.182 0.000 1.336 102 I CB 0.827 38.517 38.000 -0.515 0.000 1.407 102 I HN 0.744 nan 8.210 nan 0.000 0.497 103 N N 4.069 122.661 118.700 -0.181 0.000 2.236 103 N HA 0.084 4.825 4.740 0.000 0.000 0.196 103 N C -0.508 174.884 175.510 -0.197 0.000 1.114 103 N CA 0.002 52.941 53.050 -0.184 0.000 0.859 103 N CB 0.706 39.042 38.487 -0.252 0.000 0.982 103 N HN 0.683 nan 8.380 nan 0.000 0.493 104 D N -1.099 119.144 120.400 -0.261 0.000 2.722 104 D HA 0.326 4.967 4.640 0.000 0.000 0.231 104 D C -1.942 174.199 176.300 -0.265 0.000 1.218 104 D CA -0.433 53.480 54.000 -0.145 0.000 0.753 104 D CB 0.876 41.631 40.800 -0.075 0.000 1.471 104 D HN -0.057 nan 8.370 nan 0.000 0.455 105 Y N 0.397 120.699 120.300 0.002 0.000 2.562 105 Y HA 0.732 5.282 4.550 0.000 0.000 0.343 105 Y C -0.102 175.855 175.900 0.094 0.000 1.025 105 Y CA -0.941 57.179 58.100 0.033 0.000 1.082 105 Y CB 2.597 41.070 38.460 0.022 0.000 1.264 105 Y HN 0.203 nan 8.280 nan 0.000 0.478 106 S N 2.354 118.250 115.700 0.328 0.000 2.737 106 S HA 0.553 5.023 4.470 0.000 0.000 0.269 106 S C -1.321 173.565 174.600 0.476 0.000 1.150 106 S CA -0.474 57.940 58.200 0.357 0.000 1.077 106 S CB -0.041 63.363 63.200 0.341 0.000 1.075 106 S HN 0.566 nan 8.310 nan 0.000 0.476 107 I N 4.428 125.141 120.570 0.237 0.000 2.395 107 I HA 0.259 4.429 4.170 0.000 0.000 0.289 107 I C 0.991 176.934 176.117 -0.291 0.000 1.023 107 I CA -0.436 60.890 61.300 0.044 0.000 1.350 107 I CB 1.592 39.514 38.000 -0.130 0.000 1.409 107 I HN 0.738 nan 8.210 nan 0.000 0.507 108 S N 7.505 122.722 115.700 -0.804 0.000 2.563 108 S HA 0.111 4.581 4.470 0.000 0.000 0.284 108 S C -1.381 172.884 174.600 -0.557 0.000 1.331 108 S CA -0.979 56.323 58.200 -1.496 0.000 1.047 108 S CB 0.431 62.712 63.200 -1.530 0.000 0.859 108 S HN 0.540 nan 8.310 nan 0.000 0.514 109 P HA -0.119 nan 4.420 nan 0.000 0.226 109 P C 0.565 177.807 177.300 -0.096 0.000 1.146 109 P CA 1.027 64.042 63.100 -0.142 0.000 0.773 109 P CB 0.047 31.700 31.700 -0.079 0.000 0.772 110 D N -0.367 119.953 120.400 -0.133 0.000 2.234 110 D HA 0.002 4.642 4.640 0.000 0.000 0.205 110 D C 1.780 178.081 176.300 0.002 0.000 0.962 110 D CA 1.480 55.465 54.000 -0.025 0.000 0.855 110 D CB -0.544 40.299 40.800 0.072 0.000 0.951 110 D HN 0.179 nan 8.370 nan 0.000 0.500 111 G N 0.395 109.179 108.800 -0.026 0.000 2.179 111 G HA2 -0.365 3.595 3.960 0.000 0.000 0.260 111 G HA3 -0.365 3.595 3.960 0.000 0.000 0.260 111 G C 1.043 176.001 174.900 0.097 0.000 0.977 111 G CA 0.660 45.837 45.100 0.128 0.000 0.641 111 G HN 0.453 nan 8.290 nan 0.000 0.533 112 Q N -1.442 118.310 119.800 -0.081 0.000 2.402 112 Q HA 0.434 4.774 4.340 0.000 0.000 0.206 112 Q C 0.073 175.649 176.000 -0.706 0.000 0.919 112 Q CA 0.505 56.081 55.803 -0.379 0.000 0.923 112 Q CB 0.440 28.892 28.738 -0.477 0.000 1.048 112 Q HN 0.546 nan 8.270 nan 0.000 0.515 113 F N -0.367 119.538 119.950 -0.076 0.000 2.599 113 F HA 0.506 5.034 4.527 0.000 0.000 0.311 113 F C -0.612 175.289 175.800 0.168 0.000 1.076 113 F CA -1.044 56.981 58.000 0.042 0.000 0.937 113 F CB 1.655 40.683 39.000 0.046 0.000 1.282 113 F HN -0.251 nan 8.300 nan 0.000 0.460 114 I N 3.239 124.143 120.570 0.558 0.000 2.447 114 I HA 0.314 4.484 4.170 0.000 0.000 0.287 114 I C -1.334 175.087 176.117 0.507 0.000 1.023 114 I CA -0.902 60.707 61.300 0.515 0.000 1.083 114 I CB 1.971 40.262 38.000 0.484 0.000 1.245 114 I HN 0.296 nan 8.210 nan 0.000 0.434 115 L N 7.772 129.307 121.223 0.520 0.000 2.281 115 L HA 0.420 4.761 4.340 0.000 0.000 0.285 115 L C -0.708 176.248 176.870 0.143 0.000 1.074 115 L CA 0.118 55.129 54.840 0.285 0.000 0.817 115 L CB 0.521 42.659 42.059 0.132 0.000 1.168 115 L HN 0.435 nan 8.230 nan 0.000 0.434 116 L N 5.381 126.613 121.223 0.016 0.000 2.265 116 L HA 0.474 4.814 4.340 0.000 0.000 0.289 116 L C 0.035 176.859 176.870 -0.078 0.000 1.033 116 L CA -0.364 54.335 54.840 -0.236 0.000 0.814 116 L CB 1.348 43.044 42.059 -0.605 0.000 1.203 116 L HN 0.615 nan 8.230 nan 0.000 0.423 117 E N 4.130 124.226 120.200 -0.173 0.000 2.175 117 E HA 0.480 4.830 4.350 0.000 0.000 0.278 117 E C -1.581 174.931 176.600 -0.148 0.000 0.969 117 E CA -0.480 55.731 56.400 -0.314 0.000 0.796 117 E CB 1.282 30.842 29.700 -0.234 0.000 1.104 117 E HN 0.449 nan 8.360 nan 0.000 0.395 118 Y N 1.329 121.398 120.300 -0.385 0.000 2.744 118 Y HA 0.409 4.959 4.550 0.000 0.000 0.330 118 Y C -0.202 175.579 175.900 -0.198 0.000 1.263 118 Y CA -1.551 56.419 58.100 -0.217 0.000 1.065 118 Y CB 0.331 38.725 38.460 -0.111 0.000 1.306 118 Y HN 0.544 nan 8.280 nan 0.000 0.459 119 N N -0.424 118.252 118.700 -0.039 0.000 2.735 119 N HA -0.297 4.444 4.740 0.000 0.000 0.248 119 N C -0.886 174.556 175.510 -0.113 0.000 1.083 119 N CA 1.067 54.049 53.050 -0.114 0.000 0.703 119 N CB -1.484 36.817 38.487 -0.310 0.000 1.005 119 N HN 0.857 nan 8.380 nan 0.000 0.550 120 Y N 0.220 120.414 120.300 -0.176 0.000 2.610 120 Y HA 0.278 4.828 4.550 0.000 0.000 0.332 120 Y C 0.103 175.939 175.900 -0.107 0.000 1.201 120 Y CA 0.086 58.076 58.100 -0.183 0.000 1.465 120 Y CB 0.758 39.069 38.460 -0.249 0.000 1.283 120 Y HN -0.026 nan 8.280 nan 0.000 0.563 121 V N 7.819 127.248 119.914 -0.809 0.000 2.509 121 V HA 0.177 4.297 4.120 0.000 0.000 0.289 121 V C -0.367 175.287 176.094 -0.732 0.000 1.026 121 V CA -1.429 60.497 62.300 -0.624 0.000 0.872 121 V CB 1.238 32.890 31.823 -0.286 0.000 1.017 121 V HN 0.789 nan 8.190 nan 0.000 0.436 122 K N 3.560 123.505 120.400 -0.759 0.000 2.414 122 K HA 0.216 4.536 4.320 0.000 0.000 0.272 122 K C 0.392 176.850 176.600 -0.236 0.000 0.993 122 K CA 0.301 56.376 56.287 -0.353 0.000 0.964 122 K CB 1.273 33.750 32.500 -0.038 0.000 0.925 122 K HN 0.824 nan 8.250 nan 0.000 0.487 123 Q N 2.962 122.623 119.800 -0.232 0.000 2.362 123 Q HA 0.173 4.513 4.340 0.000 0.000 0.190 123 Q C -0.039 175.832 176.000 -0.214 0.000 0.763 123 Q CA -0.457 55.033 55.803 -0.521 0.000 0.681 123 Q CB 0.152 28.366 28.738 -0.873 0.000 2.020 123 Q HN 0.735 nan 8.270 nan 0.000 0.483 124 W N 0.354 121.664 121.300 0.017 0.000 1.833 124 W HA 0.309 4.969 4.660 0.000 0.000 0.593 124 W C 1.789 178.311 176.519 0.005 0.000 1.936 124 W CA -0.508 56.873 57.345 0.060 0.000 2.192 124 W CB -0.049 29.413 29.460 0.003 0.000 2.633 124 W HN 0.364 nan 8.180 nan 0.000 0.783 125 R N -0.564 120.054 120.500 0.197 0.000 2.096 125 R HA -0.150 4.190 4.340 0.000 0.000 0.235 125 R C 1.718 177.903 176.300 -0.192 0.000 1.127 125 R CA 1.965 58.013 56.100 -0.086 0.000 0.968 125 R CB -0.467 29.638 30.300 -0.325 0.000 0.861 125 R HN 0.466 nan 8.270 nan 0.000 0.440 126 H N -0.899 118.257 119.070 0.143 0.000 2.695 126 H HA 0.217 4.773 4.556 0.000 0.000 0.267 126 H C 0.503 175.909 175.328 0.131 0.000 0.973 126 H CA 0.570 56.713 56.048 0.158 0.000 1.223 126 H CB 0.103 29.930 29.762 0.107 0.000 1.442 126 H HN 0.231 nan 8.280 nan 0.000 0.478 127 S N 1.319 117.012 115.700 -0.011 0.000 2.585 127 S HA 0.355 4.825 4.470 0.000 0.000 0.273 127 S C -0.273 174.187 174.600 -0.234 0.000 1.339 127 S CA -0.399 57.479 58.200 -0.536 0.000 1.028 127 S CB 0.725 63.145 63.200 -1.301 0.000 0.906 127 S HN 0.469 nan 8.310 nan 0.000 0.528 128 Y N -2.470 117.674 120.300 -0.259 0.000 2.810 128 Y HA 0.619 5.169 4.550 0.000 0.000 0.355 128 Y C -0.872 175.006 175.900 -0.037 0.000 1.211 128 Y CA -0.845 57.134 58.100 -0.203 0.000 1.112 128 Y CB 0.342 38.705 38.460 -0.162 0.000 1.383 128 Y HN 0.932 nan 8.280 nan 0.000 0.458 129 T N -0.147 114.515 114.554 0.180 0.000 2.930 129 T HA 1.042 5.392 4.350 0.000 0.000 0.290 129 T C -0.528 174.277 174.700 0.175 0.000 1.052 129 T CA -0.275 61.927 62.100 0.171 0.000 1.017 129 T CB 1.794 70.684 68.868 0.036 0.000 1.137 129 T HN 2.097 nan 8.240 nan 0.000 0.511 130 A N 0.635 123.506 122.820 0.086 0.000 2.549 130 A HA 0.692 5.012 4.320 0.000 0.000 0.291 130 A C -0.549 176.786 177.584 -0.415 0.000 1.034 130 A CA -0.972 50.945 52.037 -0.200 0.000 0.655 130 A CB 0.716 19.565 19.000 -0.252 0.000 1.299 130 A HN 0.874 nan 8.150 nan 0.000 0.427 131 S N -0.569 114.663 115.700 -0.780 0.000 2.646 131 S HA 0.802 5.272 4.470 0.000 0.000 0.276 131 S C -1.333 172.628 174.600 -1.065 0.000 1.222 131 S CA 0.020 57.697 58.200 -0.871 0.000 1.014 131 S CB 0.504 62.931 63.200 -1.288 0.000 0.991 131 S HN 0.475 nan 8.310 nan 0.000 0.533 132 Y N -0.033 120.032 120.300 -0.391 0.000 2.470 132 Y HA 0.437 4.987 4.550 0.000 0.000 0.341 132 Y C -0.316 175.596 175.900 0.020 0.000 1.021 132 Y CA -0.881 57.128 58.100 -0.152 0.000 1.025 132 Y CB 1.812 40.125 38.460 -0.245 0.000 1.266 132 Y HN 0.512 nan 8.280 nan 0.000 0.448 133 D N 2.677 123.253 120.400 0.293 0.000 2.527 133 D HA 0.585 5.225 4.640 0.000 0.000 0.233 133 D C -0.983 175.404 176.300 0.144 0.000 1.063 133 D CA -0.344 53.794 54.000 0.231 0.000 0.880 133 D CB 2.806 43.827 40.800 0.369 0.000 1.457 133 D HN 0.414 nan 8.370 nan 0.000 0.475 134 I N 1.723 122.388 120.570 0.159 0.000 2.433 134 I HA 0.221 4.392 4.170 0.000 0.000 0.292 134 I C -0.983 175.331 176.117 0.328 0.000 1.001 134 I CA -0.978 60.460 61.300 0.230 0.000 1.119 134 I CB 1.716 39.827 38.000 0.184 0.000 1.289 134 I HN 0.233 nan 8.210 nan 0.000 0.438 135 Y N 5.610 126.062 120.300 0.253 0.000 2.335 135 Y HA 0.260 4.810 4.550 0.000 0.000 0.339 135 Y C -0.099 175.986 175.900 0.307 0.000 0.987 135 Y CA -0.685 57.577 58.100 0.271 0.000 1.140 135 Y CB 0.926 39.580 38.460 0.323 0.000 1.173 135 Y HN 0.475 nan 8.280 nan 0.000 0.486 136 D N 6.632 126.943 120.400 -0.148 0.000 2.339 136 D HA 0.078 4.718 4.640 0.000 0.000 0.241 136 D C 0.649 176.607 176.300 -0.569 0.000 1.183 136 D CA 0.195 54.049 54.000 -0.244 0.000 0.859 136 D CB 0.930 41.676 40.800 -0.088 0.000 1.067 136 D HN 0.874 nan 8.370 nan 0.000 0.484 137 L N 3.684 124.637 121.223 -0.450 0.000 2.217 137 L HA -0.114 4.226 4.340 0.000 0.000 0.211 137 L C 2.112 178.799 176.870 -0.305 0.000 1.107 137 L CA 0.334 55.003 54.840 -0.285 0.000 0.783 137 L CB -0.239 41.761 42.059 -0.099 0.000 0.919 137 L HN 0.374 nan 8.230 nan 0.000 0.442 138 N N 1.272 119.744 118.700 -0.380 0.000 2.120 138 N HA -0.185 4.555 4.740 0.000 0.000 0.188 138 N C 1.556 176.940 175.510 -0.210 0.000 1.024 138 N CA 1.536 54.420 53.050 -0.275 0.000 0.852 138 N CB -0.116 38.201 38.487 -0.283 0.000 1.003 138 N HN 0.540 nan 8.380 nan 0.000 0.424 139 K N 0.547 120.809 120.400 -0.229 0.000 2.358 139 K HA 0.226 4.546 4.320 0.000 0.000 0.197 139 K C -0.280 176.203 176.600 -0.194 0.000 1.025 139 K CA -0.244 55.942 56.287 -0.168 0.000 1.104 139 K CB 0.512 32.938 32.500 -0.124 0.000 0.855 139 K HN -0.101 nan 8.250 nan 0.000 0.531 140 R N 0.987 121.299 120.500 -0.313 0.000 3.188 140 R HA -0.185 4.155 4.340 0.000 0.000 0.247 140 R C -0.906 175.197 176.300 -0.328 0.000 0.918 140 R CA 0.595 56.483 56.100 -0.354 0.000 0.629 140 R CB -1.755 28.515 30.300 -0.050 0.000 1.087 140 R HN 0.420 nan 8.270 nan 0.000 0.462 141 Q N 0.189 119.671 119.800 -0.529 0.000 2.340 141 Q HA 0.485 4.825 4.340 0.000 0.000 0.276 141 Q C -1.010 174.918 176.000 -0.120 0.000 1.048 141 Q CA -0.704 54.999 55.803 -0.167 0.000 0.832 141 Q CB 1.717 30.413 28.738 -0.070 0.000 1.373 141 Q HN 0.322 nan 8.270 nan 0.000 0.409 142 L N 3.508 124.835 121.223 0.173 0.000 2.416 142 L HA 0.348 4.689 4.340 0.000 0.000 0.272 142 L C 0.050 177.012 176.870 0.154 0.000 1.161 142 L CA -0.218 54.781 54.840 0.264 0.000 0.845 142 L CB 0.436 42.708 42.059 0.355 0.000 1.119 142 L HN 0.607 nan 8.230 nan 0.000 0.464 143 I N 2.525 123.188 120.570 0.154 0.000 2.452 143 I HA -0.023 4.147 4.170 0.000 0.000 0.287 143 I C 1.314 177.485 176.117 0.089 0.000 1.079 143 I CA 0.171 61.535 61.300 0.107 0.000 1.387 143 I CB 1.141 39.202 38.000 0.102 0.000 1.404 143 I HN 0.744 nan 8.210 nan 0.000 0.522 144 T N 1.241 115.833 114.554 0.062 0.000 3.022 144 T HA 0.110 4.460 4.350 0.000 0.000 0.250 144 T C 0.497 175.207 174.700 0.016 0.000 1.060 144 T CA -0.324 61.803 62.100 0.045 0.000 1.013 144 T CB 0.068 68.962 68.868 0.042 0.000 0.982 144 T HN 0.615 nan 8.240 nan 0.000 0.508 145 E N 1.598 121.803 120.200 0.009 0.000 2.214 145 E HA 0.266 4.616 4.350 0.000 0.000 0.274 145 E C -0.593 175.988 176.600 -0.032 0.000 0.977 145 E CA -0.670 55.724 56.400 -0.011 0.000 0.827 145 E CB 0.925 30.622 29.700 -0.005 0.000 1.130 145 E HN 0.113 nan 8.360 nan 0.000 0.394 146 E N 0.512 120.680 120.200 -0.053 0.000 2.360 146 E HA -0.251 4.099 4.350 0.000 0.000 0.238 146 E C 0.045 176.578 176.600 -0.111 0.000 1.186 146 E CA 0.985 57.337 56.400 -0.081 0.000 0.719 146 E CB -1.652 28.007 29.700 -0.068 0.000 1.236 146 E HN 0.747 nan 8.360 nan 0.000 0.386 147 R N -0.310 120.120 120.500 -0.116 0.000 2.774 147 R HA 0.413 4.754 4.340 0.000 0.000 0.269 147 R C 0.888 177.024 176.300 -0.274 0.000 1.068 147 R CA -0.527 55.484 56.100 -0.147 0.000 1.180 147 R CB 0.497 30.744 30.300 -0.089 0.000 1.077 147 R HN 0.034 nan 8.270 nan 0.000 0.513 148 I N 2.144 122.506 120.570 -0.346 0.000 2.683 148 I HA 0.044 4.214 4.170 0.000 0.000 0.286 148 I C -1.736 174.059 176.117 -0.536 0.000 1.175 148 I CA -1.795 59.140 61.300 -0.609 0.000 1.429 148 I CB 0.324 37.944 38.000 -0.633 0.000 1.371 148 I HN 0.446 nan 8.210 nan 0.000 0.569 149 P HA 0.037 nan 4.420 nan 0.000 0.268 149 P C -0.680 176.329 177.300 -0.484 0.000 1.208 149 P CA -0.178 62.450 63.100 -0.786 0.000 0.777 149 P CB 0.373 31.093 31.700 -1.633 0.000 0.875 150 N N 2.603 121.117 118.700 -0.309 0.000 2.503 150 N HA 0.076 4.816 4.740 0.000 0.000 0.267 150 N C 0.438 175.967 175.510 0.032 0.000 1.214 150 N CA 0.260 53.218 53.050 -0.153 0.000 0.959 150 N CB -0.370 38.043 38.487 -0.122 0.000 1.142 150 N HN 0.389 nan 8.380 nan 0.000 0.455 151 N N -1.031 117.693 118.700 0.040 0.000 2.869 151 N HA -0.151 4.589 4.740 0.000 0.000 0.249 151 N C -0.905 174.768 175.510 0.272 0.000 1.104 151 N CA 0.597 53.731 53.050 0.140 0.000 0.760 151 N CB -1.664 36.934 38.487 0.185 0.000 1.108 151 N HN 0.473 nan 8.380 nan 0.000 0.555 152 T N 0.994 115.691 114.554 0.239 0.000 2.916 152 T HA 0.086 4.437 4.350 0.000 0.000 0.303 152 T C 1.747 176.608 174.700 0.268 0.000 1.025 152 T CA 0.190 62.455 62.100 0.275 0.000 1.142 152 T CB 1.133 70.046 68.868 0.075 0.000 0.947 152 T HN 0.164 nan 8.240 nan 0.000 0.544 153 Q N 1.534 121.485 119.800 0.251 0.000 2.302 153 Q HA 0.151 4.491 4.340 0.000 0.000 0.202 153 Q C 0.194 176.384 176.000 0.316 0.000 0.936 153 Q CA 0.423 56.397 55.803 0.285 0.000 0.886 153 Q CB 0.755 29.633 28.738 0.234 0.000 0.986 153 Q HN 0.721 nan 8.270 nan 0.000 0.487 154 W N -0.154 121.114 121.300 -0.052 0.000 3.419 154 W HA 0.457 5.117 4.660 0.000 0.000 0.298 154 W C -2.320 174.103 176.519 -0.160 0.000 1.260 154 W CA -0.635 56.627 57.345 -0.138 0.000 1.199 154 W CB 1.166 30.470 29.460 -0.259 0.000 1.349 154 W HN -0.340 nan 8.180 nan 0.000 0.557 155 V N 3.014 122.201 119.914 -1.212 0.000 2.971 155 V HA 0.766 4.886 4.120 0.000 0.000 0.309 155 V C -0.541 174.837 176.094 -1.192 0.000 1.130 155 V CA -0.683 61.011 62.300 -1.011 0.000 0.964 155 V CB 1.865 33.033 31.823 -1.091 0.000 1.029 155 V HN 0.506 nan 8.190 nan 0.000 0.427 156 T N 2.058 116.245 114.554 -0.612 0.000 3.291 156 T HA 0.436 4.786 4.350 0.000 0.000 0.344 156 T C -1.583 173.109 174.700 -0.014 0.000 1.293 156 T CA -0.348 61.587 62.100 -0.276 0.000 1.108 156 T CB 0.617 69.537 68.868 0.088 0.000 1.231 156 T HN 0.531 nan 8.240 nan 0.000 0.474 157 W N 3.299 124.604 121.300 0.009 0.000 2.126 157 W HA 0.465 5.125 4.660 0.000 0.000 0.346 157 W C 1.337 177.683 176.519 -0.288 0.000 1.279 157 W CA -0.544 56.759 57.345 -0.070 0.000 1.259 157 W CB 0.614 30.038 29.460 -0.061 0.000 1.133 157 W HN 0.798 nan 8.180 nan 0.000 0.592 158 S N 0.988 116.426 115.700 -0.438 0.000 2.608 158 S HA 0.167 4.637 4.470 0.000 0.000 0.261 158 S C -1.873 172.431 174.600 -0.494 0.000 1.314 158 S CA -0.982 56.399 58.200 -1.365 0.000 0.992 158 S CB 0.645 62.914 63.200 -1.552 0.000 0.935 158 S HN 0.276 nan 8.310 nan 0.000 0.564 159 P HA 0.009 nan 4.420 nan 0.000 0.226 159 P C 1.105 178.349 177.300 -0.093 0.000 1.153 159 P CA 0.715 63.749 63.100 -0.108 0.000 0.777 159 P CB -0.090 31.590 31.700 -0.033 0.000 0.794 160 V N -6.341 113.476 119.914 -0.162 0.000 3.141 160 V HA 0.462 4.582 4.120 0.000 0.000 0.225 160 V C 1.473 177.492 176.094 -0.125 0.000 1.352 160 V CA 0.789 63.023 62.300 -0.110 0.000 1.316 160 V CB -0.681 31.090 31.823 -0.088 0.000 1.126 160 V HN 0.027 nan 8.190 nan 0.000 0.493 161 G N 1.392 110.078 108.800 -0.190 0.000 3.226 161 G HA2 0.309 4.269 3.960 0.000 0.000 0.190 161 G HA3 0.309 4.269 3.960 0.000 0.000 0.190 161 G C 0.644 175.448 174.900 -0.159 0.000 1.988 161 G CA 0.573 45.550 45.100 -0.205 0.000 0.859 161 G HN 0.911 nan 8.290 nan 0.000 0.631 162 H N -0.588 118.446 119.070 -0.060 0.000 3.064 162 H HA 0.413 4.969 4.556 0.000 0.000 0.232 162 H C -0.447 174.986 175.328 0.174 0.000 1.308 162 H CA -0.468 55.573 56.048 -0.013 0.000 1.010 162 H CB -0.223 29.542 29.762 0.004 0.000 2.408 162 H HN 0.152 nan 8.280 nan 0.000 0.599 163 K N 1.572 122.001 120.400 0.049 0.000 2.126 163 K HA 0.554 4.874 4.320 0.000 0.000 0.257 163 K C -0.439 176.285 176.600 0.207 0.000 1.007 163 K CA -0.522 55.806 56.287 0.069 0.000 0.928 163 K CB 1.820 34.226 32.500 -0.157 0.000 1.013 163 K HN 0.128 nan 8.250 nan 0.000 0.473 164 L N 0.886 122.259 121.223 0.250 0.000 2.388 164 L HA 0.605 4.945 4.340 0.000 0.000 0.264 164 L C -1.056 176.019 176.870 0.343 0.000 0.998 164 L CA -0.888 54.062 54.840 0.183 0.000 0.817 164 L CB 2.201 44.206 42.059 -0.090 0.000 1.338 164 L HN 0.699 nan 8.230 nan 0.000 0.414 165 A N 2.352 125.354 122.820 0.303 0.000 2.359 165 A HA 0.804 5.124 4.320 0.000 0.000 0.303 165 A C -1.583 176.009 177.584 0.013 0.000 1.066 165 A CA -0.380 51.707 52.037 0.083 0.000 0.730 165 A CB 1.078 20.028 19.000 -0.083 0.000 1.211 165 A HN 0.642 nan 8.150 nan 0.000 0.439 166 Y N -0.357 119.885 120.300 -0.096 0.000 2.615 166 Y HA 0.814 5.364 4.550 0.000 0.000 0.341 166 Y C -1.196 174.698 175.900 -0.011 0.000 1.089 166 Y CA -1.704 56.310 58.100 -0.142 0.000 1.049 166 Y CB 1.185 39.484 38.460 -0.269 0.000 1.296 166 Y HN 0.388 nan 8.280 nan 0.000 0.470 167 V N 1.813 121.871 119.914 0.240 0.000 2.487 167 V HA 0.355 4.475 4.120 0.000 0.000 0.298 167 V C -1.549 174.747 176.094 0.337 0.000 1.028 167 V CA -0.597 61.819 62.300 0.193 0.000 0.860 167 V CB 1.382 33.235 31.823 0.050 0.000 0.991 167 V HN 0.861 nan 8.190 nan 0.000 0.427 168 W N 4.838 126.205 121.300 0.110 0.000 2.957 168 W HA 0.475 5.135 4.660 0.000 0.000 0.336 168 W C 0.341 176.880 176.519 0.033 0.000 1.087 168 W CA -0.930 56.434 57.345 0.031 0.000 1.235 168 W CB 1.238 30.645 29.460 -0.088 0.000 1.399 168 W HN 0.794 nan 8.180 nan 0.000 0.480 169 N N 5.528 123.868 118.700 -0.599 0.000 2.727 169 N HA -0.357 4.383 4.740 0.000 0.000 0.249 169 N C 0.188 175.525 175.510 -0.290 0.000 1.048 169 N CA 0.994 53.684 53.050 -0.599 0.000 0.714 169 N CB -1.073 36.821 38.487 -0.988 0.000 0.959 169 N HN 0.833 nan 8.380 nan 0.000 0.544 170 N N -2.070 116.527 118.700 -0.172 0.000 2.863 170 N HA -0.178 4.562 4.740 0.000 0.000 0.245 170 N C -1.148 174.299 175.510 -0.105 0.000 1.001 170 N CA 1.165 54.138 53.050 -0.129 0.000 0.901 170 N CB -0.326 38.045 38.487 -0.193 0.000 1.124 170 N HN 0.450 nan 8.380 nan 0.000 0.582 171 D N 0.362 120.720 120.400 -0.070 0.000 2.350 171 D HA 0.515 5.155 4.640 0.000 0.000 0.238 171 D C 0.209 176.420 176.300 -0.148 0.000 0.989 171 D CA -0.369 53.537 54.000 -0.157 0.000 0.921 171 D CB 1.525 42.182 40.800 -0.239 0.000 1.297 171 D HN 0.017 nan 8.370 nan 0.000 0.490 172 I N 1.418 121.738 120.570 -0.417 0.000 2.396 172 I HA 0.244 4.414 4.170 0.000 0.000 0.292 172 I C -0.734 174.999 176.117 -0.640 0.000 0.999 172 I CA -0.450 60.578 61.300 -0.453 0.000 1.310 172 I CB 0.613 38.227 38.000 -0.644 0.000 1.404 172 I HN 0.151 nan 8.210 nan 0.000 0.496 173 Y N 3.978 123.882 120.300 -0.660 0.000 2.512 173 Y HA 0.628 5.178 4.550 0.000 0.000 0.348 173 Y C -0.430 175.089 175.900 -0.635 0.000 0.990 173 Y CA -0.933 56.715 58.100 -0.752 0.000 1.033 173 Y CB 2.123 39.835 38.460 -1.245 0.000 1.259 173 Y HN 0.095 nan 8.280 nan 0.000 0.461 174 V N 3.004 122.818 119.914 -0.165 0.000 2.577 174 V HA 0.467 4.588 4.120 0.000 0.000 0.303 174 V C -0.905 175.296 176.094 0.178 0.000 1.042 174 V CA -1.419 60.896 62.300 0.025 0.000 0.872 174 V CB 1.919 33.784 31.823 0.069 0.000 0.998 174 V HN 0.619 nan 8.190 nan 0.000 0.423 175 K N 4.389 124.907 120.400 0.197 0.000 2.274 175 K HA 0.590 4.910 4.320 0.000 0.000 0.262 175 K C 0.388 177.119 176.600 0.218 0.000 0.961 175 K CA -0.594 55.800 56.287 0.179 0.000 0.833 175 K CB 2.551 35.123 32.500 0.119 0.000 1.102 175 K HN 0.502 nan 8.250 nan 0.000 0.436 176 I N 0.932 121.650 120.570 0.247 0.000 2.480 176 I HA -0.080 4.090 4.170 0.000 0.000 0.251 176 I C 0.379 176.600 176.117 0.174 0.000 1.124 176 I CA 1.027 62.453 61.300 0.210 0.000 1.444 176 I CB 0.339 38.483 38.000 0.239 0.000 1.098 176 I HN 0.483 nan 8.210 nan 0.000 0.428 177 E N 0.283 120.572 120.200 0.147 0.000 2.222 177 E HA 0.239 4.589 4.350 0.000 0.000 0.267 177 E C -1.931 174.664 176.600 -0.009 0.000 0.884 177 E CA -1.891 54.576 56.400 0.112 0.000 0.764 177 E CB 1.623 31.384 29.700 0.101 0.000 1.169 177 E HN -0.185 nan 8.360 nan 0.000 0.413 178 P HA -0.181 nan 4.420 nan 0.000 0.217 178 P C 0.775 178.005 177.300 -0.117 0.000 1.148 178 P CA 1.380 64.335 63.100 -0.243 0.000 0.834 178 P CB 0.279 31.573 31.700 -0.677 0.000 0.783 179 N N -1.773 116.885 118.700 -0.070 0.000 2.235 179 N HA 0.047 4.787 4.740 0.000 0.000 0.209 179 N C -0.097 175.401 175.510 -0.021 0.000 1.122 179 N CA 0.138 53.173 53.050 -0.024 0.000 0.845 179 N CB -0.187 38.308 38.487 0.013 0.000 1.004 179 N HN 0.061 nan 8.380 nan 0.000 0.499 180 L N 0.986 122.195 121.223 -0.023 0.000 2.352 180 L HA 0.587 4.927 4.340 0.000 0.000 0.269 180 L C -2.126 174.697 176.870 -0.078 0.000 1.034 180 L CA -2.144 52.676 54.840 -0.034 0.000 0.806 180 L CB 0.955 43.010 42.059 -0.007 0.000 1.244 180 L HN -0.111 nan 8.230 nan 0.000 0.447 181 P HA 0.099 nan 4.420 nan 0.000 0.267 181 P C -0.930 176.212 177.300 -0.263 0.000 1.200 181 P CA 0.015 63.017 63.100 -0.163 0.000 0.772 181 P CB 0.484 32.083 31.700 -0.167 0.000 0.855 182 S N 1.155 116.757 115.700 -0.162 0.000 2.610 182 S HA 0.329 4.799 4.470 0.000 0.000 0.273 182 S C -0.594 173.871 174.600 -0.225 0.000 1.274 182 S CA -0.136 57.996 58.200 -0.113 0.000 1.023 182 S CB 0.019 63.289 63.200 0.116 0.000 0.962 182 S HN 0.238 nan 8.310 nan 0.000 0.523 183 Y N 1.212 121.518 120.300 0.010 0.000 2.353 183 Y HA 0.332 4.882 4.550 0.000 0.000 0.340 183 Y C 0.912 176.689 175.900 -0.206 0.000 0.972 183 Y CA -0.616 57.458 58.100 -0.044 0.000 1.157 183 Y CB 0.578 39.019 38.460 -0.031 0.000 1.157 183 Y HN 0.367 nan 8.280 nan 0.000 0.495 184 R N 4.328 124.718 120.500 -0.184 0.000 2.343 184 R HA 0.104 4.444 4.340 0.000 0.000 0.326 184 R C 0.468 176.465 176.300 -0.505 0.000 1.055 184 R CA 0.221 55.887 56.100 -0.724 0.000 0.961 184 R CB 0.380 30.090 30.300 -0.983 0.000 0.978 184 R HN 0.776 nan 8.270 nan 0.000 0.443 185 I N 1.229 121.442 120.570 -0.595 0.000 2.400 185 I HA -0.063 4.107 4.170 0.000 0.000 0.248 185 I C 1.393 177.291 176.117 -0.365 0.000 1.109 185 I CA 1.136 62.205 61.300 -0.385 0.000 1.425 185 I CB -0.528 37.204 38.000 -0.447 0.000 1.094 185 I HN 0.355 nan 8.210 nan 0.000 0.425 186 T N -1.429 112.785 114.554 -0.567 0.000 2.908 186 T HA 0.348 4.698 4.350 0.000 0.000 0.290 186 T C -1.027 173.388 174.700 -0.474 0.000 1.034 186 T CA -0.376 61.500 62.100 -0.373 0.000 1.010 186 T CB 1.197 69.839 68.868 -0.377 0.000 1.068 186 T HN 0.176 nan 8.240 nan 0.000 0.481 187 W N 1.448 122.637 121.300 -0.186 0.000 2.518 187 W HA 0.231 4.891 4.660 0.000 0.000 0.352 187 W C 1.905 178.368 176.519 -0.094 0.000 0.952 187 W CA -0.148 57.120 57.345 -0.129 0.000 1.624 187 W CB 0.184 29.585 29.460 -0.098 0.000 1.135 187 W HN 0.811 nan 8.180 nan 0.000 0.540 188 T N -2.993 111.604 114.554 0.071 0.000 3.060 188 T HA 0.278 4.629 4.350 0.000 0.000 0.249 188 T C 1.272 175.972 174.700 -0.000 0.000 1.079 188 T CA 0.221 62.347 62.100 0.043 0.000 1.013 188 T CB -0.147 68.742 68.868 0.036 0.000 0.975 188 T HN -0.009 nan 8.240 nan 0.000 0.518 189 G N 1.292 110.064 108.800 -0.047 0.000 2.321 189 G HA2 0.338 4.299 3.960 0.000 0.000 0.237 189 G HA3 0.338 4.299 3.960 0.000 0.000 0.237 189 G C -0.610 174.234 174.900 -0.092 0.000 1.282 189 G CA -0.321 44.730 45.100 -0.081 0.000 0.886 189 G HN 0.586 nan 8.290 nan 0.000 0.528 190 K N 1.637 121.966 120.400 -0.119 0.000 2.589 190 K HA 0.175 4.495 4.320 0.000 0.000 0.253 190 K C -0.158 176.333 176.600 -0.183 0.000 0.974 190 K CA -0.659 55.556 56.287 -0.121 0.000 0.835 190 K CB 1.485 33.950 32.500 -0.059 0.000 1.272 190 K HN 0.644 nan 8.250 nan 0.000 0.444 191 E N 3.313 123.400 120.200 -0.188 0.000 2.765 191 E HA -0.190 4.160 4.350 0.000 0.000 0.256 191 E C -0.514 175.992 176.600 -0.157 0.000 0.935 191 E CA 1.203 57.483 56.400 -0.200 0.000 0.954 191 E CB 0.225 29.842 29.700 -0.138 0.000 0.908 191 E HN 0.664 nan 8.360 nan 0.000 0.500 192 D N 2.378 122.658 120.400 -0.201 0.000 3.006 192 D HA -0.239 4.401 4.640 0.000 0.000 0.208 192 D C 0.586 176.941 176.300 0.092 0.000 1.116 192 D CA 1.392 55.398 54.000 0.010 0.000 0.998 192 D CB -0.443 40.398 40.800 0.070 0.000 1.124 192 D HN 0.415 nan 8.370 nan 0.000 0.413 193 I N -0.590 119.968 120.570 -0.020 0.000 3.650 193 I HA 0.208 4.378 4.170 0.000 0.000 0.261 193 I C 1.026 177.250 176.117 0.178 0.000 1.154 193 I CA 0.505 61.868 61.300 0.104 0.000 1.418 193 I CB 0.197 38.227 38.000 0.050 0.000 1.539 193 I HN -0.121 nan 8.210 nan 0.000 0.449 194 I N 1.167 121.764 120.570 0.045 0.000 2.410 194 I HA 0.247 4.417 4.170 0.000 0.000 0.286 194 I C -1.435 174.725 176.117 0.073 0.000 1.009 194 I CA -0.613 60.774 61.300 0.145 0.000 1.111 194 I CB 1.662 39.712 38.000 0.083 0.000 1.262 194 I HN -0.052 nan 8.210 nan 0.000 0.443 195 Y N 4.803 125.199 120.300 0.159 0.000 2.331 195 Y HA 0.398 4.948 4.550 0.000 0.000 0.338 195 Y C 0.179 176.146 175.900 0.112 0.000 0.976 195 Y CA -1.013 57.182 58.100 0.158 0.000 1.137 195 Y CB 0.869 39.498 38.460 0.280 0.000 1.172 195 Y HN 0.426 nan 8.280 nan 0.000 0.478 196 N N 2.191 120.968 118.700 0.128 0.000 2.476 196 N HA 0.352 5.092 4.740 0.000 0.000 0.257 196 N C 0.802 176.268 175.510 -0.074 0.000 0.970 196 N CA 0.433 53.493 53.050 0.017 0.000 0.938 196 N CB 1.807 40.218 38.487 -0.127 0.000 1.144 196 N HN 0.968 nan 8.380 nan 0.000 0.500 197 G N 1.636 110.407 108.800 -0.049 0.000 2.179 197 G HA2 -0.247 3.713 3.960 0.000 0.000 0.260 197 G HA3 -0.247 3.713 3.960 0.000 0.000 0.260 197 G C 0.134 174.876 174.900 -0.264 0.000 0.977 197 G CA 0.656 45.647 45.100 -0.183 0.000 0.641 197 G HN 0.639 nan 8.290 nan 0.000 0.533 198 I N -1.613 118.878 120.570 -0.131 0.000 2.934 198 I HA 0.827 4.997 4.170 0.000 0.000 0.306 198 I C 0.312 176.461 176.117 0.053 0.000 1.110 198 I CA -0.636 60.485 61.300 -0.297 0.000 1.019 198 I CB 2.023 39.707 38.000 -0.526 0.000 1.227 198 I HN 0.171 nan 8.210 nan 0.000 0.434 199 T N -0.497 114.021 114.554 -0.059 0.000 2.902 199 T HA 0.395 4.745 4.350 0.000 0.000 0.280 199 T C -0.209 174.321 174.700 -0.283 0.000 0.992 199 T CA -0.652 61.280 62.100 -0.281 0.000 1.015 199 T CB 1.419 70.211 68.868 -0.126 0.000 1.044 199 T HN 0.768 nan 8.240 nan 0.000 0.520 200 D N -0.070 119.919 120.400 -0.685 0.000 2.478 200 D HA 0.052 4.692 4.640 0.000 0.000 0.274 200 D C 0.937 177.199 176.300 -0.064 0.000 1.234 200 D CA -1.100 52.520 54.000 -0.633 0.000 1.069 200 D CB 0.108 40.451 40.800 -0.761 0.000 1.113 200 D HN 0.697 nan 8.370 nan 0.000 0.571 201 W N 0.016 121.300 121.300 -0.026 0.000 2.333 201 W HA -0.196 4.464 4.660 0.000 0.000 0.316 201 W C 2.142 178.567 176.519 -0.156 0.000 1.215 201 W CA 2.169 59.489 57.345 -0.041 0.000 1.278 201 W CB -0.422 28.957 29.460 -0.135 0.000 1.154 201 W HN 0.179 nan 8.180 nan 0.000 0.486 202 V N -0.095 119.897 119.914 0.129 0.000 2.515 202 V HA -0.275 3.845 4.120 0.000 0.000 0.250 202 V C 1.762 177.667 176.094 -0.315 0.000 1.058 202 V CA 1.891 64.129 62.300 -0.104 0.000 1.064 202 V CB -0.675 31.096 31.823 -0.086 0.000 0.675 202 V HN 0.306 nan 8.190 nan 0.000 0.461 203 Y N 0.462 120.569 120.300 -0.321 0.000 2.337 203 Y HA -0.098 4.452 4.550 0.000 0.000 0.293 203 Y C 2.556 178.338 175.900 -0.196 0.000 1.123 203 Y CA 1.914 59.826 58.100 -0.314 0.000 1.201 203 Y CB 0.014 38.176 38.460 -0.497 0.000 1.011 203 Y HN 0.363 nan 8.280 nan 0.000 0.545 204 E N 0.335 120.494 120.200 -0.069 0.000 2.051 204 E HA -0.286 4.064 4.350 0.000 0.000 0.192 204 E C 1.924 178.470 176.600 -0.089 0.000 0.991 204 E CA 1.608 57.996 56.400 -0.020 0.000 0.799 204 E CB 0.051 29.749 29.700 -0.004 0.000 0.748 204 E HN 0.377 nan 8.360 nan 0.000 0.449 205 E N 0.123 120.081 120.200 -0.402 0.000 2.086 205 E HA -0.105 4.245 4.350 0.000 0.000 0.190 205 E C 1.417 177.873 176.600 -0.240 0.000 0.975 205 E CA 1.206 57.352 56.400 -0.423 0.000 0.813 205 E CB 0.267 29.355 29.700 -1.020 0.000 0.768 205 E HN 0.208 nan 8.360 nan 0.000 0.457 206 E N -0.777 119.255 120.200 -0.281 0.000 2.511 206 E HA 0.122 4.473 4.350 0.000 0.000 0.209 206 E C 1.299 177.741 176.600 -0.264 0.000 0.986 206 E CA 0.178 56.464 56.400 -0.191 0.000 0.974 206 E CB 1.317 30.908 29.700 -0.181 0.000 1.030 206 E HN 0.161 nan 8.360 nan 0.000 0.490 207 V N -0.540 119.167 119.914 -0.344 0.000 2.939 207 V HA 0.058 4.178 4.120 0.000 0.000 0.228 207 V C 1.316 177.166 176.094 -0.406 0.000 1.162 207 V CA 0.585 62.588 62.300 -0.495 0.000 1.222 207 V CB -0.235 31.105 31.823 -0.805 0.000 1.053 207 V HN 0.018 nan 8.190 nan 0.000 0.504 208 F N 0.699 120.665 119.950 0.026 0.000 2.754 208 F HA 0.288 4.815 4.527 0.000 0.000 0.297 208 F C 1.557 177.331 175.800 -0.044 0.000 1.122 208 F CA 0.317 58.349 58.000 0.053 0.000 1.400 208 F CB -0.341 38.733 39.000 0.124 0.000 1.117 208 F HN 0.084 nan 8.300 nan 0.000 0.587 209 S N 0.393 116.128 115.700 0.058 0.000 3.614 209 S HA 0.011 4.481 4.470 0.000 0.000 0.360 209 S C 0.060 174.316 174.600 -0.573 0.000 1.023 209 S CA 0.404 58.562 58.200 -0.070 0.000 1.114 209 S CB -1.711 61.486 63.200 -0.005 0.000 0.907 209 S HN 0.672 nan 8.310 nan 0.000 0.470 210 A N -0.553 122.109 122.820 -0.263 0.000 2.608 210 A HA 0.702 5.022 4.320 0.000 0.000 0.292 210 A C -0.323 177.216 177.584 -0.075 0.000 1.066 210 A CA -0.491 51.360 52.037 -0.309 0.000 0.676 210 A CB 0.333 19.189 19.000 -0.239 0.000 1.277 210 A HN 0.345 nan 8.150 nan 0.000 0.413 211 Y N 1.325 121.436 120.300 -0.316 0.000 2.448 211 Y HA 0.211 4.761 4.550 0.000 0.000 0.289 211 Y C 1.548 177.094 175.900 -0.591 0.000 1.114 211 Y CA 0.960 58.867 58.100 -0.322 0.000 1.235 211 Y CB 0.011 38.316 38.460 -0.258 0.000 1.045 211 Y HN 0.687 nan 8.280 nan 0.000 0.554 212 S N 0.592 115.692 115.700 -0.999 0.000 2.549 212 S HA 0.420 4.890 4.470 0.000 0.000 0.283 212 S C 0.379 174.421 174.600 -0.932 0.000 1.320 212 S CA 0.222 57.624 58.200 -1.330 0.000 1.058 212 S CB 0.483 62.797 63.200 -1.477 0.000 0.882 212 S HN 0.435 nan 8.310 nan 0.000 0.498 213 A N 4.244 126.524 122.820 -0.900 0.000 2.663 213 A HA 0.514 4.834 4.320 0.000 0.000 0.273 213 A C -0.787 176.140 177.584 -1.094 0.000 0.932 213 A CA -0.604 50.881 52.037 -0.920 0.000 1.055 213 A CB -0.355 18.517 19.000 -0.213 0.000 1.206 213 A HN 0.941 nan 8.150 nan 0.000 0.485 214 L N -4.850 115.592 121.223 -1.301 0.000 2.445 214 L HA 0.883 5.223 4.340 0.000 0.000 0.262 214 L C -1.386 175.042 176.870 -0.737 0.000 0.974 214 L CA -1.140 53.251 54.840 -0.749 0.000 0.822 214 L CB 1.065 42.898 42.059 -0.376 0.000 1.339 214 L HN 0.207 nan 8.230 nan 0.000 0.409 215 W N 2.039 123.377 121.300 0.064 0.000 2.587 215 W HA 0.337 4.997 4.660 0.000 0.000 0.324 215 W C -1.374 175.339 176.519 0.322 0.000 1.008 215 W CA -0.759 56.737 57.345 0.251 0.000 1.265 215 W CB 1.487 31.159 29.460 0.353 0.000 1.328 215 W HN 0.624 nan 8.180 nan 0.000 0.432 216 W N 2.276 123.754 121.300 0.297 0.000 2.150 216 W HA 0.209 4.869 4.660 0.000 0.000 0.341 216 W C 1.275 177.610 176.519 -0.307 0.000 1.276 216 W CA 0.390 57.775 57.345 0.067 0.000 1.238 216 W CB 0.746 30.228 29.460 0.036 0.000 1.128 216 W HN 0.174 nan 8.180 nan 0.000 0.581 217 S N 2.136 117.601 115.700 -0.392 0.000 2.603 217 S HA 0.229 4.699 4.470 0.000 0.000 0.268 217 S C -1.805 172.542 174.600 -0.421 0.000 1.317 217 S CA -1.078 56.370 58.200 -1.254 0.000 1.012 217 S CB 1.145 63.636 63.200 -1.183 0.000 0.926 217 S HN 0.272 nan 8.310 nan 0.000 0.539 218 P HA -0.233 nan 4.420 nan 0.000 0.219 218 P C 0.876 178.139 177.300 -0.061 0.000 1.161 218 P CA 2.054 65.114 63.100 -0.066 0.000 0.909 218 P CB -0.225 31.482 31.700 0.013 0.000 0.793 219 N N -2.404 116.248 118.700 -0.079 0.000 2.270 219 N HA 0.152 4.893 4.740 0.000 0.000 0.198 219 N C 1.045 176.478 175.510 -0.128 0.000 1.117 219 N CA 0.589 53.590 53.050 -0.082 0.000 0.845 219 N CB -0.543 37.910 38.487 -0.056 0.000 0.980 219 N HN 0.247 nan 8.380 nan 0.000 0.486 220 G N -1.210 107.518 108.800 -0.120 0.000 2.175 220 G HA2 -0.339 3.622 3.960 0.000 0.000 0.244 220 G HA3 -0.339 3.622 3.960 0.000 0.000 0.244 220 G C 1.015 175.933 174.900 0.030 0.000 0.982 220 G CA 0.625 45.660 45.100 -0.108 0.000 0.641 220 G HN 0.360 nan 8.290 nan 0.000 0.527 221 T N 0.236 114.721 114.554 -0.115 0.000 2.674 221 T HA 0.158 4.508 4.350 0.000 0.000 0.265 221 T C 0.887 175.393 174.700 -0.323 0.000 1.039 221 T CA 1.489 63.402 62.100 -0.311 0.000 1.150 221 T CB -0.118 68.393 68.868 -0.595 0.000 0.864 221 T HN 0.308 nan 8.240 nan 0.000 0.427 222 F N 0.221 120.199 119.950 0.046 0.000 2.470 222 F HA 0.626 5.153 4.527 0.000 0.000 0.329 222 F C -0.211 175.630 175.800 0.068 0.000 1.072 222 F CA -1.679 56.372 58.000 0.084 0.000 0.989 222 F CB 1.079 40.190 39.000 0.185 0.000 1.193 222 F HN -0.099 nan 8.300 nan 0.000 0.481 223 L N 2.717 124.058 121.223 0.196 0.000 2.342 223 L HA 0.797 5.137 4.340 0.000 0.000 0.276 223 L C -0.610 176.327 176.870 0.111 0.000 0.997 223 L CA -0.556 54.215 54.840 -0.115 0.000 0.838 223 L CB 0.585 42.321 42.059 -0.539 0.000 1.224 223 L HN 0.665 nan 8.230 nan 0.000 0.416 224 A N 4.830 127.791 122.820 0.235 0.000 2.303 224 A HA 0.772 5.092 4.320 0.000 0.000 0.317 224 A C -1.341 176.303 177.584 0.101 0.000 1.149 224 A CA -0.225 51.865 52.037 0.089 0.000 0.822 224 A CB 0.516 19.678 19.000 0.271 0.000 1.131 224 A HN 0.898 nan 8.150 nan 0.000 0.493 225 Y N -1.669 118.401 120.300 -0.382 0.000 2.609 225 Y HA 0.753 5.304 4.550 0.000 0.000 0.336 225 Y C -0.362 175.336 175.900 -0.336 0.000 1.129 225 Y CA -0.899 57.051 58.100 -0.250 0.000 1.040 225 Y CB 0.805 39.113 38.460 -0.254 0.000 1.310 225 Y HN 0.935 nan 8.280 nan 0.000 0.460 226 A N 1.990 124.818 122.820 0.013 0.000 2.311 226 A HA 0.717 5.037 4.320 0.000 0.000 0.334 226 A C -1.237 176.214 177.584 -0.222 0.000 1.139 226 A CA -0.883 51.057 52.037 -0.163 0.000 0.830 226 A CB 1.828 20.738 19.000 -0.150 0.000 1.234 226 A HN 0.813 nan 8.150 nan 0.000 0.483 227 Q N 0.740 120.326 119.800 -0.356 0.000 2.321 227 Q HA 0.589 4.929 4.340 0.000 0.000 0.270 227 Q C -2.103 173.636 176.000 -0.436 0.000 1.032 227 Q CA -0.357 55.338 55.803 -0.180 0.000 0.784 227 Q CB 1.127 29.980 28.738 0.191 0.000 1.264 227 Q HN 0.590 nan 8.270 nan 0.000 0.448 228 F N 2.334 122.374 119.950 0.150 0.000 2.458 228 F HA 0.410 4.937 4.527 0.000 0.000 0.336 228 F C 0.417 176.352 175.800 0.226 0.000 1.114 228 F CA -0.901 57.162 58.000 0.105 0.000 0.987 228 F CB 1.396 40.357 39.000 -0.065 0.000 1.130 228 F HN 0.413 nan 8.300 nan 0.000 0.458 229 N N 2.115 121.023 118.700 0.347 0.000 2.518 229 N HA 0.212 4.952 4.740 0.000 0.000 0.254 229 N C -0.874 174.805 175.510 0.281 0.000 0.979 229 N CA -0.302 52.922 53.050 0.289 0.000 0.930 229 N CB 0.995 39.603 38.487 0.201 0.000 1.152 229 N HN 0.562 nan 8.380 nan 0.000 0.505 230 D N 1.370 121.961 120.400 0.319 0.000 2.388 230 D HA 0.118 4.758 4.640 0.000 0.000 0.221 230 D C 1.272 177.694 176.300 0.203 0.000 1.133 230 D CA 0.107 54.270 54.000 0.272 0.000 0.831 230 D CB 0.577 41.589 40.800 0.353 0.000 0.962 230 D HN 0.454 nan 8.370 nan 0.000 0.502 231 T N 0.694 115.351 114.554 0.172 0.000 2.594 231 T HA -0.253 4.097 4.350 0.000 0.000 0.266 231 T C 1.275 176.038 174.700 0.104 0.000 1.070 231 T CA 1.429 63.603 62.100 0.123 0.000 1.166 231 T CB -0.127 68.802 68.868 0.102 0.000 0.862 231 T HN 0.344 nan 8.240 nan 0.000 0.436 232 E N 0.540 120.800 120.200 0.100 0.000 2.419 232 E HA 0.194 4.544 4.350 0.000 0.000 0.190 232 E C -0.521 176.133 176.600 0.089 0.000 1.040 232 E CA -0.269 56.180 56.400 0.082 0.000 0.900 232 E CB 0.413 30.154 29.700 0.068 0.000 1.054 232 E HN 0.224 nan 8.360 nan 0.000 0.462 233 V N 3.281 123.263 119.914 0.113 0.000 2.488 233 V HA 0.128 4.248 4.120 0.000 0.000 0.277 233 V C -1.995 174.163 176.094 0.106 0.000 1.046 233 V CA -1.716 60.655 62.300 0.118 0.000 0.986 233 V CB 0.611 32.523 31.823 0.149 0.000 0.989 233 V HN 0.048 nan 8.190 nan 0.000 0.475 234 P HA 0.243 nan 4.420 nan 0.000 0.270 234 P C -0.932 176.412 177.300 0.073 0.000 1.223 234 P CA -0.287 62.855 63.100 0.071 0.000 0.785 234 P CB 0.483 32.221 31.700 0.064 0.000 0.923 235 L N 2.318 123.560 121.223 0.032 0.000 2.307 235 L HA 0.430 4.770 4.340 0.000 0.000 0.284 235 L C 0.130 176.955 176.870 -0.076 0.000 1.023 235 L CA -0.592 54.251 54.840 0.005 0.000 0.810 235 L CB 1.088 43.147 42.059 0.000 0.000 1.231 235 L HN 0.293 nan 8.230 nan 0.000 0.423 236 I N 2.531 123.010 120.570 -0.152 0.000 2.428 236 I HA 0.305 4.475 4.170 0.000 0.000 0.289 236 I C -0.328 175.640 176.117 -0.248 0.000 1.019 236 I CA 0.319 61.423 61.300 -0.326 0.000 1.351 236 I CB 0.603 38.158 38.000 -0.742 0.000 1.412 236 I HN 0.619 nan 8.210 nan 0.000 0.513 237 E N 7.211 127.284 120.200 -0.212 0.000 2.266 237 E HA 0.559 4.910 4.350 0.000 0.000 0.268 237 E C -1.793 174.745 176.600 -0.103 0.000 0.879 237 E CA -0.644 55.632 56.400 -0.207 0.000 0.762 237 E CB 2.174 31.783 29.700 -0.151 0.000 1.199 237 E HN 0.581 nan 8.360 nan 0.000 0.422 238 Y N -2.036 118.186 120.300 -0.131 0.000 2.592 238 Y HA 0.490 5.040 4.550 0.000 0.000 0.334 238 Y C -0.850 174.991 175.900 -0.097 0.000 1.136 238 Y CA -1.253 56.779 58.100 -0.114 0.000 1.042 238 Y CB 0.805 39.205 38.460 -0.100 0.000 1.325 238 Y HN 0.236 nan 8.280 nan 0.000 0.457 239 S N 2.376 118.092 115.700 0.025 0.000 2.565 239 S HA 0.434 4.904 4.470 0.000 0.000 0.276 239 S C -1.291 173.196 174.600 -0.190 0.000 1.326 239 S CA -0.305 57.770 58.200 -0.209 0.000 1.045 239 S CB 0.460 63.384 63.200 -0.461 0.000 0.918 239 S HN 0.539 nan 8.310 nan 0.000 0.505 240 F N 2.337 122.046 119.950 -0.401 0.000 2.499 240 F HA 0.435 4.962 4.527 0.000 0.000 0.333 240 F C -0.246 175.327 175.800 -0.379 0.000 1.138 240 F CA -0.997 56.859 58.000 -0.240 0.000 0.945 240 F CB 0.753 39.731 39.000 -0.036 0.000 1.181 240 F HN 0.635 nan 8.300 nan 0.000 0.435 241 Y N 2.807 122.861 120.300 -0.409 0.000 2.420 241 Y HA 0.102 4.652 4.550 0.000 0.000 0.292 241 Y C 1.760 177.540 175.900 -0.199 0.000 1.119 241 Y CA 1.133 59.087 58.100 -0.244 0.000 1.229 241 Y CB -0.632 37.688 38.460 -0.233 0.000 1.026 241 Y HN 0.741 nan 8.280 nan 0.000 0.554 242 S N -0.333 115.180 115.700 -0.310 0.000 3.443 242 S HA -0.222 4.248 4.470 0.000 0.000 0.635 242 S C -0.569 174.055 174.600 0.039 0.000 2.555 242 S CA 0.284 58.497 58.200 0.023 0.000 2.778 242 S CB -1.194 62.159 63.200 0.254 0.000 0.331 242 S HN 0.444 nan 8.310 nan 0.000 1.765 243 D N 1.595 122.049 120.400 0.090 0.000 2.382 243 D HA 0.189 4.830 4.640 0.000 0.000 0.240 243 D C 1.374 177.700 176.300 0.045 0.000 1.146 243 D CA 0.386 54.422 54.000 0.061 0.000 0.897 243 D CB 0.307 41.148 40.800 0.067 0.000 1.197 243 D HN 0.612 nan 8.370 nan 0.000 0.432 244 E N 0.675 120.891 120.200 0.027 0.000 2.187 244 E HA -0.259 4.091 4.350 0.000 0.000 0.199 244 E C 1.531 178.142 176.600 0.018 0.000 1.004 244 E CA 1.494 57.902 56.400 0.014 0.000 0.813 244 E CB 0.144 29.847 29.700 0.004 0.000 0.736 244 E HN 0.461 nan 8.360 nan 0.000 0.468 245 S N 0.193 115.910 115.700 0.028 0.000 2.442 245 S HA -0.113 4.357 4.470 0.000 0.000 0.236 245 S C 1.186 175.809 174.600 0.039 0.000 1.007 245 S CA 0.149 58.367 58.200 0.029 0.000 0.965 245 S CB -0.276 62.944 63.200 0.033 0.000 0.773 245 S HN 0.287 nan 8.310 nan 0.000 0.504 246 L N 2.352 123.607 121.223 0.052 0.000 2.433 246 L HA 0.132 4.472 4.340 0.000 0.000 0.275 246 L C 1.622 178.524 176.870 0.055 0.000 1.128 246 L CA -0.048 54.835 54.840 0.070 0.000 0.875 246 L CB 0.904 43.019 42.059 0.093 0.000 1.171 246 L HN 0.427 nan 8.230 nan 0.000 0.463 247 Q N 4.173 124.011 119.800 0.063 0.000 2.046 247 Q HA -0.126 4.214 4.340 0.000 0.000 0.200 247 Q C -0.570 175.367 176.000 -0.104 0.000 0.975 247 Q CA 1.541 57.334 55.803 -0.016 0.000 0.836 247 Q CB 0.142 28.902 28.738 0.037 0.000 0.896 247 Q HN 0.603 nan 8.270 nan 0.000 0.428 248 Y N 0.357 120.667 120.300 0.017 0.000 2.352 248 Y HA 0.393 4.943 4.550 0.000 0.000 0.339 248 Y C -2.033 173.869 175.900 0.003 0.000 0.992 248 Y CA -2.972 55.134 58.100 0.009 0.000 1.100 248 Y CB 1.248 39.707 38.460 -0.003 0.000 1.192 248 Y HN 0.154 nan 8.280 nan 0.000 0.458 249 P HA 0.087 nan 4.420 nan 0.000 0.269 249 P C -1.030 176.271 177.300 0.002 0.000 1.215 249 P CA -0.529 62.566 63.100 -0.008 0.000 0.780 249 P CB 0.542 32.159 31.700 -0.138 0.000 0.898 250 K N -0.205 120.184 120.400 -0.019 0.000 2.156 250 K HA 0.617 4.937 4.320 0.000 0.000 0.250 250 K C -0.918 175.643 176.600 -0.064 0.000 0.955 250 K CA -0.681 55.601 56.287 -0.010 0.000 0.855 250 K CB 0.848 33.368 32.500 0.035 0.000 1.101 250 K HN 0.169 nan 8.250 nan 0.000 0.434 251 T N 1.749 116.250 114.554 -0.088 0.000 2.758 251 T HA 0.237 4.588 4.350 0.000 0.000 0.285 251 T C -0.438 174.144 174.700 -0.197 0.000 0.981 251 T CA -0.716 61.298 62.100 -0.143 0.000 0.965 251 T CB 1.105 69.899 68.868 -0.124 0.000 0.927 251 T HN 0.377 nan 8.240 nan 0.000 0.448 252 V N 5.842 125.548 119.914 -0.348 0.000 2.461 252 V HA 0.457 4.578 4.120 0.000 0.000 0.275 252 V C 0.355 176.173 176.094 -0.459 0.000 1.047 252 V CA -0.691 61.347 62.300 -0.437 0.000 0.955 252 V CB 0.528 31.927 31.823 -0.706 0.000 0.988 252 V HN 0.796 nan 8.190 nan 0.000 0.471 253 R N 3.922 124.286 120.500 -0.227 0.000 2.513 253 R HA 0.850 5.191 4.340 0.000 0.000 0.301 253 R C -1.423 174.866 176.300 -0.018 0.000 0.968 253 R CA -0.744 55.267 56.100 -0.149 0.000 0.872 253 R CB 2.171 32.413 30.300 -0.096 0.000 1.177 253 R HN 0.453 nan 8.270 nan 0.000 0.444 254 V N 2.572 122.488 119.914 0.004 0.000 2.623 254 V HA 0.467 4.587 4.120 0.000 0.000 0.304 254 V C -2.735 173.440 176.094 0.135 0.000 1.054 254 V CA -2.591 59.795 62.300 0.144 0.000 0.882 254 V CB 2.487 34.448 31.823 0.230 0.000 1.002 254 V HN 0.635 nan 8.190 nan 0.000 0.424 255 P HA 0.185 nan 4.420 nan 0.000 0.261 255 P C -1.766 175.667 177.300 0.221 0.000 1.203 255 P CA 0.635 63.860 63.100 0.208 0.000 0.767 255 P CB -0.290 31.570 31.700 0.267 0.000 0.785 256 Y N 6.375 126.674 120.300 -0.002 0.000 2.330 256 Y HA 0.389 4.939 4.550 0.000 0.000 0.324 256 Y C -2.775 173.114 175.900 -0.019 0.000 1.093 256 Y CA -2.808 55.247 58.100 -0.075 0.000 1.103 256 Y CB 1.869 40.165 38.460 -0.272 0.000 1.183 256 Y HN 0.283 nan 8.280 nan 0.000 0.433 257 P HA 0.287 nan 4.420 nan 0.000 0.292 257 P C -1.118 176.258 177.300 0.125 0.000 1.326 257 P CA -0.310 62.850 63.100 0.102 0.000 0.787 257 P CB 1.528 33.261 31.700 0.055 0.000 0.903 258 K N 1.984 122.524 120.400 0.235 0.000 2.090 258 K HA 0.527 4.848 4.320 0.000 0.000 0.250 258 K C 0.462 177.166 176.600 0.173 0.000 1.004 258 K CA -0.783 55.658 56.287 0.257 0.000 0.919 258 K CB 0.779 33.444 32.500 0.276 0.000 1.045 258 K HN 0.456 nan 8.250 nan 0.000 0.471 259 A N 0.978 123.921 122.820 0.205 0.000 2.592 259 A HA 0.185 4.505 4.320 0.000 0.000 0.250 259 A C 1.268 178.886 177.584 0.056 0.000 1.017 259 A CA 1.236 53.374 52.037 0.167 0.000 0.794 259 A CB -1.324 17.839 19.000 0.272 0.000 0.917 259 A HN 0.947 nan 8.150 nan 0.000 0.515 260 G N 1.086 109.911 108.800 0.042 0.000 2.234 260 G HA2 0.076 4.036 3.960 0.000 0.000 0.260 260 G HA3 0.076 4.036 3.960 0.000 0.000 0.260 260 G C 0.801 175.714 174.900 0.022 0.000 0.987 260 G CA 0.963 46.063 45.100 0.001 0.000 0.625 260 G HN 2.259 nan 8.290 nan 0.000 0.532 261 A N -0.352 122.499 122.820 0.050 0.000 2.262 261 A HA 0.686 5.006 4.320 0.000 0.000 0.273 261 A C 0.875 178.492 177.584 0.056 0.000 1.202 261 A CA 0.485 52.556 52.037 0.057 0.000 0.811 261 A CB 0.386 19.436 19.000 0.084 0.000 1.159 261 A HN 1.162 nan 8.150 nan 0.000 0.505 262 V N 2.244 122.194 119.914 0.059 0.000 2.470 262 V HA 0.083 4.203 4.120 0.000 0.000 0.276 262 V C 0.281 176.423 176.094 0.081 0.000 1.040 262 V CA -0.361 61.975 62.300 0.059 0.000 1.008 262 V CB 0.084 31.942 31.823 0.059 0.000 0.990 262 V HN 0.766 nan 8.190 nan 0.000 0.477 263 N N 6.234 124.982 118.700 0.079 0.000 2.463 263 N HA 0.445 5.186 4.740 0.000 0.000 0.270 263 N C -2.337 173.262 175.510 0.148 0.000 1.205 263 N CA -1.428 51.694 53.050 0.119 0.000 0.974 263 N CB 1.073 39.631 38.487 0.118 0.000 1.197 263 N HN 0.408 nan 8.380 nan 0.000 0.504 264 P HA 0.121 nan 4.420 nan 0.000 0.277 264 P C -0.541 176.925 177.300 0.277 0.000 1.240 264 P CA -0.210 63.045 63.100 0.260 0.000 0.798 264 P CB 0.512 32.401 31.700 0.316 0.000 0.979 265 T N -1.228 113.465 114.554 0.231 0.000 2.943 265 T HA 0.572 4.922 4.350 0.000 0.000 0.284 265 T C -0.204 174.634 174.700 0.229 0.000 1.015 265 T CA -0.814 61.389 62.100 0.171 0.000 1.042 265 T CB 1.485 70.418 68.868 0.108 0.000 1.055 265 T HN 0.342 nan 8.240 nan 0.000 0.500 266 V N 0.544 120.577 119.914 0.198 0.000 2.876 266 V HA 0.763 4.883 4.120 0.000 0.000 0.312 266 V C -1.480 174.704 176.094 0.150 0.000 1.085 266 V CA -0.882 61.495 62.300 0.128 0.000 0.945 266 V CB 2.099 34.031 31.823 0.182 0.000 1.017 266 V HN 1.055 nan 8.190 nan 0.000 0.428 267 K N 4.129 124.542 120.400 0.022 0.000 2.435 267 K HA 0.586 4.906 4.320 0.000 0.000 0.251 267 K C -1.973 174.530 176.600 -0.161 0.000 0.954 267 K CA -0.498 55.764 56.287 -0.042 0.000 0.820 267 K CB 2.798 35.260 32.500 -0.063 0.000 1.292 267 K HN 0.565 nan 8.250 nan 0.000 0.436 268 F N 2.106 121.733 119.950 -0.538 0.000 2.529 268 F HA 0.560 5.087 4.527 0.000 0.000 0.320 268 F C -1.455 173.773 175.800 -0.953 0.000 1.118 268 F CA -0.614 57.052 58.000 -0.557 0.000 0.915 268 F CB 0.882 39.696 39.000 -0.310 0.000 1.161 268 F HN 0.387 nan 8.300 nan 0.000 0.445 269 F N 3.703 123.009 119.950 -1.073 0.000 2.620 269 F HA 0.799 5.326 4.527 0.000 0.000 0.320 269 F C -0.966 174.254 175.800 -0.966 0.000 1.069 269 F CA -1.236 56.223 58.000 -0.901 0.000 0.953 269 F CB 2.077 40.472 39.000 -1.009 0.000 1.322 269 F HN 0.101 nan 8.300 nan 0.000 0.479 270 V N 2.172 121.910 119.914 -0.293 0.000 2.668 270 V HA 0.550 4.670 4.120 0.000 0.000 0.304 270 V C -1.252 174.924 176.094 0.135 0.000 1.071 270 V CA -0.764 61.419 62.300 -0.196 0.000 0.894 270 V CB 1.934 33.406 31.823 -0.585 0.000 1.008 270 V HN 0.611 nan 8.190 nan 0.000 0.425 271 V N 4.526 124.581 119.914 0.235 0.000 2.628 271 V HA 0.542 4.662 4.120 0.000 0.000 0.306 271 V C -0.130 176.171 176.094 0.345 0.000 1.045 271 V CA -0.618 61.844 62.300 0.270 0.000 0.905 271 V CB 2.054 33.983 31.823 0.177 0.000 0.997 271 V HN 1.002 nan 8.190 nan 0.000 0.436 272 N N 2.872 121.758 118.700 0.311 0.000 2.420 272 N HA 0.170 4.910 4.740 0.000 0.000 0.249 272 N C 1.081 176.606 175.510 0.024 0.000 1.033 272 N CA 0.275 53.434 53.050 0.180 0.000 0.944 272 N CB 1.194 39.771 38.487 0.150 0.000 1.113 272 N HN 0.874 nan 8.380 nan 0.000 0.502 273 T N -0.133 114.418 114.554 -0.005 0.000 3.118 273 T HA -0.003 4.347 4.350 0.000 0.000 0.260 273 T C 0.582 175.242 174.700 -0.066 0.000 1.139 273 T CA 0.581 62.675 62.100 -0.009 0.000 1.085 273 T CB 0.119 69.073 68.868 0.143 0.000 0.934 273 T HN 0.419 nan 8.240 nan 0.000 0.518 274 D N 0.914 121.255 120.400 -0.100 0.000 2.354 274 D HA 0.167 4.807 4.640 0.000 0.000 0.209 274 D C 1.586 177.831 176.300 -0.091 0.000 1.015 274 D CA 0.302 54.242 54.000 -0.099 0.000 0.867 274 D CB 0.352 41.081 40.800 -0.119 0.000 0.933 274 D HN 0.409 nan 8.370 nan 0.000 0.520 275 S N 0.405 116.055 115.700 -0.084 0.000 2.511 275 S HA 0.118 4.588 4.470 0.000 0.000 0.214 275 S C 1.092 175.632 174.600 -0.099 0.000 0.997 275 S CA -0.394 57.772 58.200 -0.056 0.000 0.908 275 S CB 0.339 63.541 63.200 0.004 0.000 0.803 275 S HN 0.311 nan 8.310 nan 0.000 0.504 276 L N 2.400 123.505 121.223 -0.196 0.000 2.559 276 L HA 0.261 4.601 4.340 0.000 0.000 0.274 276 L C 0.846 177.523 176.870 -0.322 0.000 1.205 276 L CA -0.299 54.355 54.840 -0.310 0.000 0.907 276 L CB 0.009 41.722 42.059 -0.577 0.000 1.153 276 L HN 0.186 nan 8.230 nan 0.000 0.490 277 S N 2.660 118.286 115.700 -0.123 0.000 2.371 277 S HA 0.189 4.659 4.470 0.000 0.000 0.159 277 S C 1.040 175.745 174.600 0.174 0.000 1.281 277 S CA 0.345 58.549 58.200 0.006 0.000 2.161 277 S CB 0.460 63.687 63.200 0.044 0.000 0.406 277 S HN 0.945 nan 8.310 nan 0.000 0.374 278 S N -2.326 113.499 115.700 0.209 0.000 1.936 278 S HA 0.070 4.540 4.470 0.000 0.000 0.184 278 S C 0.544 175.239 174.600 0.159 0.000 0.757 278 S CA 0.367 58.729 58.200 0.270 0.000 1.740 278 S CB -0.636 62.717 63.200 0.256 0.000 1.156 278 S HN 0.403 nan 8.310 nan 0.000 0.474 279 V N 1.818 121.801 119.914 0.115 0.000 3.661 279 V HA 0.400 4.520 4.120 0.000 0.000 0.271 279 V C 0.410 176.543 176.094 0.064 0.000 1.315 279 V CA 0.934 63.280 62.300 0.078 0.000 1.072 279 V CB 0.835 32.692 31.823 0.058 0.000 0.830 279 V HN 0.478 nan 8.190 nan 0.000 0.443 280 T N 0.756 115.355 114.554 0.076 0.000 2.893 280 T HA 0.408 4.758 4.350 0.000 0.000 0.291 280 T C -0.356 174.393 174.700 0.082 0.000 1.028 280 T CA -0.500 61.633 62.100 0.055 0.000 0.995 280 T CB 1.748 70.641 68.868 0.040 0.000 1.051 280 T HN 0.040 nan 8.240 nan 0.000 0.470 281 N N 1.454 120.189 118.700 0.059 0.000 2.508 281 N HA 0.435 5.175 4.740 0.000 0.000 0.264 281 N C 0.110 175.676 175.510 0.092 0.000 1.216 281 N CA -0.225 52.889 53.050 0.107 0.000 0.943 281 N CB 0.741 39.244 38.487 0.027 0.000 1.113 281 N HN 0.834 nan 8.380 nan 0.000 0.447 282 A N 1.098 123.987 122.820 0.115 0.000 2.445 282 A HA 0.282 4.602 4.320 0.000 0.000 0.242 282 A C 0.128 177.753 177.584 0.068 0.000 1.075 282 A CA 0.115 52.191 52.037 0.064 0.000 0.777 282 A CB 0.043 19.061 19.000 0.032 0.000 1.013 282 A HN 0.538 nan 8.150 nan 0.000 0.493 283 T N 2.464 117.062 114.554 0.074 0.000 2.758 283 T HA 0.466 4.816 4.350 0.000 0.000 0.285 283 T C -0.083 174.694 174.700 0.129 0.000 0.981 283 T CA -0.088 62.068 62.100 0.093 0.000 0.965 283 T CB 0.781 69.711 68.868 0.104 0.000 0.927 283 T HN 0.546 nan 8.240 nan 0.000 0.448 284 S N 3.111 118.883 115.700 0.120 0.000 2.451 284 S HA 0.542 5.012 4.470 0.000 0.000 0.301 284 S C -0.165 174.585 174.600 0.249 0.000 1.116 284 S CA -0.714 57.586 58.200 0.167 0.000 1.093 284 S CB 0.553 63.795 63.200 0.070 0.000 1.017 284 S HN 0.455 nan 8.310 nan 0.000 0.482 285 I N 2.805 123.550 120.570 0.291 0.000 2.353 285 I HA 0.307 4.478 4.170 0.000 0.000 0.293 285 I C 0.440 176.705 176.117 0.248 0.000 0.992 285 I CA -0.088 61.398 61.300 0.309 0.000 1.268 285 I CB 1.191 39.453 38.000 0.437 0.000 1.387 285 I HN 0.582 nan 8.210 nan 0.000 0.478 286 Q N 5.635 125.546 119.800 0.185 0.000 2.235 286 Q HA 0.622 4.962 4.340 0.000 0.000 0.250 286 Q C -1.201 174.757 176.000 -0.069 0.000 0.909 286 Q CA -0.554 55.171 55.803 -0.130 0.000 0.910 286 Q CB 1.275 29.895 28.738 -0.197 0.000 1.223 286 Q HN 0.553 nan 8.270 nan 0.000 0.432 287 I N 3.462 123.965 120.570 -0.113 0.000 2.382 287 I HA 0.265 4.435 4.170 0.000 0.000 0.286 287 I C 0.413 176.512 176.117 -0.031 0.000 1.002 287 I CA -0.427 60.870 61.300 -0.005 0.000 1.135 287 I CB 1.702 39.728 38.000 0.044 0.000 1.288 287 I HN 0.763 nan 8.210 nan 0.000 0.448 288 T N 3.062 117.564 114.554 -0.086 0.000 2.780 288 T HA 0.870 5.220 4.350 0.000 0.000 0.263 288 T C 0.652 175.145 174.700 -0.344 0.000 0.993 288 T CA 0.181 62.168 62.100 -0.188 0.000 1.010 288 T CB 1.264 70.033 68.868 -0.165 0.000 1.642 288 T HN 0.978 nan 8.240 nan 0.000 0.587 289 A N 0.807 123.359 122.820 -0.447 0.000 6.204 289 A HA -0.020 4.300 4.320 0.000 0.000 0.272 289 A C -2.447 174.564 177.584 -0.955 0.000 2.040 289 A CA 0.209 51.921 52.037 -0.542 0.000 0.717 289 A CB -2.872 15.933 19.000 -0.325 0.000 1.126 289 A HN 0.887 nan 8.150 nan 0.000 0.378 290 P HA 0.393 nan 4.420 nan 0.000 0.269 290 P C 0.961 178.041 177.300 -0.366 0.000 1.215 290 P CA 0.752 63.603 63.100 -0.415 0.000 0.780 290 P CB 0.497 32.022 31.700 -0.291 0.000 0.898 291 A N 2.183 124.861 122.820 -0.237 0.000 1.940 291 A HA -0.185 4.135 4.320 0.000 0.000 0.219 291 A C 2.025 179.499 177.584 -0.182 0.000 1.176 291 A CA 2.263 54.184 52.037 -0.193 0.000 0.631 291 A CB -1.757 17.163 19.000 -0.133 0.000 0.814 291 A HN 0.612 nan 8.150 nan 0.000 0.446 292 S N -2.138 113.469 115.700 -0.154 0.000 2.547 292 S HA -0.023 4.447 4.470 0.000 0.000 0.235 292 S C 1.513 176.016 174.600 -0.161 0.000 0.980 292 S CA 1.572 59.692 58.200 -0.135 0.000 0.941 292 S CB -0.167 63.002 63.200 -0.051 0.000 0.763 292 S HN 0.387 nan 8.310 nan 0.000 0.532 293 M N 0.755 120.210 119.600 -0.241 0.000 2.800 293 M HA 0.493 4.973 4.480 0.000 0.000 0.257 293 M C 1.533 177.619 176.300 -0.357 0.000 1.309 293 M CA 0.847 55.959 55.300 -0.313 0.000 1.202 293 M CB -0.318 31.954 32.600 -0.546 0.000 1.273 293 M HN 0.236 nan 8.290 nan 0.000 0.528 294 L N 0.774 121.761 121.223 -0.393 0.000 2.353 294 L HA -0.127 4.213 4.340 0.000 0.000 0.220 294 L C 2.049 178.861 176.870 -0.098 0.000 1.133 294 L CA 0.790 55.482 54.840 -0.246 0.000 0.798 294 L CB -1.048 40.869 42.059 -0.237 0.000 0.922 294 L HN 0.417 nan 8.230 nan 0.000 0.445 295 I N -2.611 117.894 120.570 -0.107 0.000 2.700 295 I HA 0.056 4.226 4.170 0.000 0.000 0.261 295 I C 1.094 177.187 176.117 -0.039 0.000 1.219 295 I CA 0.834 62.090 61.300 -0.074 0.000 1.463 295 I CB -0.524 37.420 38.000 -0.093 0.000 1.092 295 I HN 0.126 nan 8.210 nan 0.000 0.452 296 G N 0.035 108.832 108.800 -0.005 0.000 2.650 296 G HA2 0.247 4.207 3.960 0.000 0.000 0.310 296 G HA3 0.247 4.207 3.960 0.000 0.000 0.310 296 G C -1.827 173.112 174.900 0.065 0.000 1.270 296 G CA -0.558 44.548 45.100 0.010 0.000 0.810 296 G HN 0.026 nan 8.290 nan 0.000 0.493 297 D N 1.304 121.691 120.400 -0.022 0.000 2.424 297 D HA 0.436 5.076 4.640 0.000 0.000 0.244 297 D C 0.357 176.570 176.300 -0.145 0.000 1.134 297 D CA 0.652 54.575 54.000 -0.128 0.000 0.881 297 D CB 0.456 41.157 40.800 -0.166 0.000 1.191 297 D HN 0.540 nan 8.370 nan 0.000 0.445 298 H N -0.638 118.300 119.070 -0.220 0.000 2.933 298 H HA 0.472 5.029 4.556 0.000 0.000 0.310 298 H C -1.352 173.864 175.328 -0.187 0.000 1.351 298 H CA -0.799 55.123 56.048 -0.209 0.000 1.137 298 H CB 0.458 30.224 29.762 0.007 0.000 1.853 298 H HN 0.293 nan 8.280 nan 0.000 0.539 299 Y N -0.115 120.421 120.300 0.393 0.000 2.553 299 Y HA 0.396 4.946 4.550 0.000 0.000 0.347 299 Y C -0.516 175.657 175.900 0.455 0.000 1.019 299 Y CA -1.132 57.196 58.100 0.380 0.000 1.032 299 Y CB 1.968 40.490 38.460 0.103 0.000 1.284 299 Y HN 0.499 nan 8.280 nan 0.000 0.466 300 L N 2.933 124.496 121.223 0.566 0.000 2.265 300 L HA 0.435 4.775 4.340 0.000 0.000 0.288 300 L C 0.408 177.324 176.870 0.077 0.000 1.058 300 L CA -0.252 54.570 54.840 -0.030 0.000 0.809 300 L CB 0.480 42.453 42.059 -0.143 0.000 1.179 300 L HN 0.979 nan 8.230 nan 0.000 0.429 301 C N 1.395 120.612 119.300 -0.137 0.000 3.336 301 C HA 0.537 4.997 4.460 0.000 0.000 0.291 301 C C 0.087 174.964 174.990 -0.187 0.000 1.363 301 C CA -0.377 58.505 59.018 -0.227 0.000 1.737 301 C CB -0.764 26.894 27.740 -0.137 0.000 2.274 301 C HN 0.857 nan 8.230 nan 0.000 0.663 302 D N 0.300 120.608 120.400 -0.153 0.000 2.787 302 D HA 0.341 4.981 4.640 0.000 0.000 0.215 302 D C -1.726 174.343 176.300 -0.386 0.000 1.246 302 D CA 0.143 54.074 54.000 -0.115 0.000 0.798 302 D CB 2.438 43.160 40.800 -0.129 0.000 1.649 302 D HN 0.445 nan 8.370 nan 0.000 0.507 303 V N 1.491 121.108 119.914 -0.496 0.000 2.569 303 V HA 0.818 4.938 4.120 0.000 0.000 0.301 303 V C -1.538 174.213 176.094 -0.573 0.000 1.044 303 V CA 0.033 61.838 62.300 -0.826 0.000 0.874 303 V CB 1.763 32.691 31.823 -1.490 0.000 1.002 303 V HN 0.580 nan 8.190 nan 0.000 0.424 304 T N 6.119 120.416 114.554 -0.429 0.000 3.011 304 T HA 0.427 4.777 4.350 0.000 0.000 0.303 304 T C -1.001 173.570 174.700 -0.214 0.000 0.997 304 T CA -0.153 61.840 62.100 -0.177 0.000 1.007 304 T CB 0.938 69.771 68.868 -0.059 0.000 1.017 304 T HN 0.785 nan 8.240 nan 0.000 0.443 305 W N 1.992 123.230 121.300 -0.103 0.000 2.216 305 W HA 0.486 5.146 4.660 0.000 0.000 0.326 305 W C 1.138 177.525 176.519 -0.219 0.000 1.319 305 W CA -0.285 56.990 57.345 -0.117 0.000 1.213 305 W CB 0.579 30.054 29.460 0.026 0.000 1.171 305 W HN 0.850 nan 8.180 nan 0.000 0.557 306 A N 1.877 124.578 122.820 -0.200 0.000 1.942 306 A HA 0.212 4.532 4.320 0.000 0.000 0.209 306 A C 0.868 178.421 177.584 -0.051 0.000 1.214 306 A CA 1.494 53.215 52.037 -0.526 0.000 0.686 306 A CB -0.319 17.908 19.000 -1.289 0.000 0.871 306 A HN 0.535 nan 8.150 nan 0.000 0.460 307 T N -5.623 109.003 114.554 0.118 0.000 2.647 307 T HA 0.335 4.685 4.350 0.000 0.000 0.295 307 T C 0.072 174.952 174.700 0.300 0.000 1.126 307 T CA -0.378 61.834 62.100 0.187 0.000 1.040 307 T CB 0.639 69.600 68.868 0.156 0.000 1.472 307 T HN -0.071 nan 8.240 nan 0.000 0.500 308 Q N 0.263 120.207 119.800 0.241 0.000 2.364 308 Q HA 0.066 4.406 4.340 0.000 0.000 0.207 308 Q C 0.804 177.084 176.000 0.467 0.000 0.970 308 Q CA 1.365 57.321 55.803 0.255 0.000 0.888 308 Q CB -0.075 28.767 28.738 0.173 0.000 0.951 308 Q HN 0.816 nan 8.270 nan 0.000 0.469 309 E N -0.279 120.197 120.200 0.461 0.000 2.810 309 E HA 0.178 4.528 4.350 0.000 0.000 0.214 309 E C -0.215 176.664 176.600 0.465 0.000 0.980 309 E CA -0.160 56.536 56.400 0.495 0.000 1.159 309 E CB 1.103 30.992 29.700 0.314 0.000 1.047 309 E HN -0.041 nan 8.360 nan 0.000 0.484 310 R N 1.701 122.480 120.500 0.465 0.000 2.502 310 R HA 0.513 4.853 4.340 0.000 0.000 0.300 310 R C -1.673 174.640 176.300 0.022 0.000 0.984 310 R CA -0.428 55.814 56.100 0.236 0.000 0.882 310 R CB 1.302 31.642 30.300 0.066 0.000 1.180 310 R HN 0.072 nan 8.270 nan 0.000 0.444 311 I N 3.114 123.533 120.570 -0.251 0.000 2.569 311 I HA 0.425 4.595 4.170 0.000 0.000 0.296 311 I C -0.819 174.976 176.117 -0.537 0.000 1.028 311 I CA -0.515 60.345 61.300 -0.734 0.000 1.082 311 I CB 2.224 39.357 38.000 -1.445 0.000 1.264 311 I HN 0.831 nan 8.210 nan 0.000 0.429 312 S N 7.226 122.597 115.700 -0.548 0.000 2.501 312 S HA 0.818 5.288 4.470 0.000 0.000 0.301 312 S C -1.070 173.228 174.600 -0.502 0.000 1.096 312 S CA -0.705 57.267 58.200 -0.380 0.000 1.063 312 S CB 1.851 64.950 63.200 -0.169 0.000 1.042 312 S HN 0.403 nan 8.310 nan 0.000 0.494 313 L N 1.798 122.748 121.223 -0.455 0.000 2.431 313 L HA 0.555 4.896 4.340 0.000 0.000 0.266 313 L C -0.328 176.268 176.870 -0.457 0.000 0.978 313 L CA -0.278 54.182 54.840 -0.633 0.000 0.822 313 L CB 1.986 43.563 42.059 -0.803 0.000 1.310 313 L HN 0.817 nan 8.230 nan 0.000 0.409 314 Q N 1.466 120.952 119.800 -0.523 0.000 2.333 314 Q HA 0.544 4.884 4.340 0.000 0.000 0.267 314 Q C -1.675 174.109 176.000 -0.359 0.000 1.012 314 Q CA -0.485 55.143 55.803 -0.291 0.000 0.824 314 Q CB 2.115 30.736 28.738 -0.195 0.000 1.290 314 Q HN 0.516 nan 8.270 nan 0.000 0.449 315 W N 2.525 123.793 121.300 -0.053 0.000 2.719 315 W HA 0.661 5.321 4.660 0.000 0.000 0.352 315 W C -0.922 175.640 176.519 0.072 0.000 1.085 315 W CA -0.667 56.693 57.345 0.026 0.000 1.187 315 W CB 1.034 30.485 29.460 -0.014 0.000 1.417 315 W HN 0.383 nan 8.180 nan 0.000 0.557 316 L N 2.019 123.481 121.223 0.398 0.000 2.431 316 L HA 0.578 4.918 4.340 0.000 0.000 0.266 316 L C -0.274 176.774 176.870 0.296 0.000 0.978 316 L CA -1.169 53.858 54.840 0.312 0.000 0.822 316 L CB 1.484 43.714 42.059 0.284 0.000 1.310 316 L HN 0.425 nan 8.230 nan 0.000 0.409 317 R N 2.339 122.975 120.500 0.227 0.000 2.679 317 R HA 0.276 4.616 4.340 0.000 0.000 0.269 317 R C 0.979 177.292 176.300 0.022 0.000 1.076 317 R CA -0.208 55.960 56.100 0.113 0.000 1.160 317 R CB 0.609 30.963 30.300 0.090 0.000 1.054 317 R HN 0.654 nan 8.270 nan 0.000 0.507 318 R N 1.251 121.673 120.500 -0.131 0.000 2.105 318 R HA -0.082 4.258 4.340 0.000 0.000 0.239 318 R C 0.409 176.721 176.300 0.020 0.000 1.135 318 R CA 1.203 57.197 56.100 -0.176 0.000 0.967 318 R CB 0.146 30.328 30.300 -0.196 0.000 0.861 318 R HN 0.388 nan 8.270 nan 0.000 0.442 319 I N 2.867 123.450 120.570 0.022 0.000 2.329 319 I HA -0.006 4.164 4.170 0.000 0.000 0.295 319 I C 0.254 176.421 176.117 0.083 0.000 1.109 319 I CA 0.445 61.772 61.300 0.043 0.000 1.297 319 I CB 0.923 38.940 38.000 0.027 0.000 1.433 319 I HN 0.311 nan 8.210 nan 0.000 0.509 320 Q N 4.387 124.241 119.800 0.090 0.000 2.294 320 Q HA -0.090 4.250 4.340 0.000 0.000 0.207 320 Q C 0.507 176.588 176.000 0.135 0.000 0.887 320 Q CA 0.175 56.049 55.803 0.119 0.000 0.987 320 Q CB -0.372 28.406 28.738 0.067 0.000 1.101 320 Q HN 0.614 nan 8.270 nan 0.000 0.447 321 N N -0.814 117.967 118.700 0.134 0.000 2.282 321 N HA -0.007 4.733 4.740 0.000 0.000 0.240 321 N C -1.191 174.428 175.510 0.181 0.000 1.182 321 N CA -0.261 52.860 53.050 0.118 0.000 0.874 321 N CB 0.311 38.844 38.487 0.077 0.000 1.126 321 N HN 0.160 nan 8.380 nan 0.000 0.516 322 Y N 0.860 121.188 120.300 0.047 0.000 2.313 322 Y HA 0.499 5.049 4.550 0.000 0.000 0.320 322 Y C -1.325 174.613 175.900 0.064 0.000 1.171 322 Y CA -0.918 57.208 58.100 0.044 0.000 1.093 322 Y CB 1.238 39.715 38.460 0.028 0.000 1.224 322 Y HN 0.180 nan 8.280 nan 0.000 0.421 323 S N 3.754 119.377 115.700 -0.128 0.000 2.599 323 S HA 0.956 5.426 4.470 0.000 0.000 0.287 323 S C -1.784 172.753 174.600 -0.104 0.000 1.105 323 S CA -0.834 57.368 58.200 0.004 0.000 0.899 323 S CB 2.188 65.404 63.200 0.027 0.000 1.100 323 S HN 0.467 nan 8.310 nan 0.000 0.482 324 V N 2.049 121.995 119.914 0.054 0.000 2.760 324 V HA 0.535 4.655 4.120 0.000 0.000 0.309 324 V C -0.657 175.495 176.094 0.097 0.000 1.077 324 V CA -0.646 61.683 62.300 0.049 0.000 0.910 324 V CB 1.915 33.791 31.823 0.089 0.000 1.008 324 V HN 1.034 nan 8.190 nan 0.000 0.424 325 M N 3.568 123.196 119.600 0.048 0.000 2.180 325 M HA 0.533 5.014 4.480 0.000 0.000 0.350 325 M C -1.322 175.006 176.300 0.047 0.000 1.125 325 M CA -0.258 55.051 55.300 0.014 0.000 1.031 325 M CB 1.219 33.784 32.600 -0.059 0.000 1.623 325 M HN 0.643 nan 8.290 nan 0.000 0.451 326 D N 5.026 125.445 120.400 0.032 0.000 2.198 326 D HA 0.548 5.188 4.640 0.000 0.000 0.247 326 D C -0.937 175.345 176.300 -0.030 0.000 1.010 326 D CA -0.071 53.941 54.000 0.019 0.000 0.880 326 D CB 1.883 42.714 40.800 0.051 0.000 1.209 326 D HN 0.614 nan 8.370 nan 0.000 0.451 327 I N 2.180 122.750 120.570 -0.001 0.000 2.448 327 I HA 0.250 4.420 4.170 0.000 0.000 0.281 327 I C -0.651 175.469 176.117 0.005 0.000 1.027 327 I CA -0.622 60.675 61.300 -0.004 0.000 1.111 327 I CB 1.294 39.351 38.000 0.095 0.000 1.236 327 I HN 0.139 nan 8.210 nan 0.000 0.452 328 c N 3.844 122.437 118.600 -0.011 0.000 2.351 328 c HA 0.554 5.124 4.570 0.000 0.000 0.326 328 c C -0.188 174.041 174.090 0.230 0.000 1.272 328 c CA -0.739 55.650 56.329 0.101 0.000 1.650 328 c CB 0.953 43.533 42.510 0.117 0.000 2.257 328 c HN 0.573 nan 8.230 nan 0.000 0.505 329 D N 0.443 120.947 120.400 0.173 0.000 2.252 329 D HA 0.289 4.930 4.640 0.000 0.000 0.245 329 D C -0.632 175.557 176.300 -0.186 0.000 1.009 329 D CA -0.234 53.815 54.000 0.081 0.000 0.870 329 D CB 1.242 42.054 40.800 0.019 0.000 1.251 329 D HN 0.592 nan 8.370 nan 0.000 0.460 330 Y N 1.145 121.008 120.300 -0.728 0.000 2.336 330 Y HA 0.220 4.770 4.550 0.000 0.000 0.331 330 Y C -0.148 175.443 175.900 -0.514 0.000 1.211 330 Y CA 0.069 57.450 58.100 -1.197 0.000 1.346 330 Y CB 0.832 38.480 38.460 -1.353 0.000 1.271 330 Y HN 0.140 nan 8.280 nan 0.000 0.538 331 D N 5.036 124.738 120.400 -1.163 0.000 2.440 331 D HA 0.146 4.786 4.640 0.000 0.000 0.252 331 D C 0.137 175.861 176.300 -0.960 0.000 1.180 331 D CA -0.179 53.369 54.000 -0.754 0.000 0.894 331 D CB 0.847 41.386 40.800 -0.436 0.000 1.111 331 D HN 0.858 nan 8.370 nan 0.000 0.544 332 E N 0.936 120.705 120.200 -0.718 0.000 2.070 332 E HA -0.222 4.128 4.350 0.000 0.000 0.197 332 E C 1.908 178.375 176.600 -0.221 0.000 1.004 332 E CA 1.793 57.965 56.400 -0.381 0.000 0.805 332 E CB 0.173 29.833 29.700 -0.066 0.000 0.744 332 E HN 0.551 nan 8.360 nan 0.000 0.451 333 S N 0.848 116.439 115.700 -0.181 0.000 2.356 333 S HA -0.187 4.284 4.470 0.000 0.000 0.223 333 S C 2.208 176.742 174.600 -0.111 0.000 1.032 333 S CA 1.592 59.726 58.200 -0.110 0.000 1.005 333 S CB -0.388 62.759 63.200 -0.087 0.000 0.867 333 S HN 0.293 nan 8.310 nan 0.000 0.449 334 S N 0.334 115.938 115.700 -0.160 0.000 2.486 334 S HA 0.422 4.892 4.470 0.000 0.000 0.220 334 S C 1.768 176.298 174.600 -0.117 0.000 1.011 334 S CA 0.699 58.827 58.200 -0.119 0.000 0.921 334 S CB -0.622 62.507 63.200 -0.117 0.000 0.785 334 S HN 1.611 nan 8.310 nan 0.000 0.517 335 G N 1.513 110.177 108.800 -0.227 0.000 2.162 335 G HA2 -0.271 3.689 3.960 0.000 0.000 0.260 335 G HA3 -0.271 3.689 3.960 0.000 0.000 0.260 335 G C 0.179 175.039 174.900 -0.066 0.000 0.976 335 G CA 0.367 45.386 45.100 -0.135 0.000 0.655 335 G HN 0.664 nan 8.290 nan 0.000 0.533 336 R N -1.756 118.641 120.500 -0.172 0.000 2.705 336 R HA 0.657 4.997 4.340 0.000 0.000 0.246 336 R C -0.799 175.397 176.300 -0.175 0.000 1.142 336 R CA -0.821 55.259 56.100 -0.033 0.000 1.114 336 R CB 0.720 31.020 30.300 -0.001 0.000 1.256 336 R HN 0.140 nan 8.270 nan 0.000 0.536 337 W N 0.712 122.027 121.300 0.025 0.000 2.362 337 W HA 0.364 5.024 4.660 0.000 0.000 0.316 337 W C -0.659 175.845 176.519 -0.025 0.000 1.024 337 W CA -0.362 56.992 57.345 0.014 0.000 1.270 337 W CB 0.991 30.458 29.460 0.012 0.000 1.273 337 W HN 0.418 nan 8.180 nan 0.000 0.424 338 N N 2.518 121.271 118.700 0.088 0.000 2.434 338 N HA 0.402 5.142 4.740 0.000 0.000 0.272 338 N C -1.134 174.410 175.510 0.057 0.000 1.040 338 N CA -0.516 52.560 53.050 0.043 0.000 0.956 338 N CB 0.860 39.335 38.487 -0.021 0.000 1.108 338 N HN 0.188 nan 8.380 nan 0.000 0.481 339 c N 3.656 122.277 118.600 0.034 0.000 2.242 339 c HA 0.314 4.884 4.570 0.000 0.000 0.317 339 c C 0.510 174.596 174.090 -0.006 0.000 1.087 339 c CA -1.093 55.246 56.329 0.017 0.000 1.535 339 c CB -1.429 41.083 42.510 0.002 0.000 1.893 339 c HN 0.642 nan 8.230 nan 0.000 0.426 340 L N 2.765 123.986 121.223 -0.003 0.000 2.513 340 L HA 0.106 4.446 4.340 0.000 0.000 0.272 340 L C 0.921 177.773 176.870 -0.029 0.000 1.187 340 L CA 0.413 55.243 54.840 -0.015 0.000 0.895 340 L CB 0.241 42.295 42.059 -0.007 0.000 1.147 340 L HN 0.509 nan 8.230 nan 0.000 0.483 341 V N 5.217 125.107 119.914 -0.040 0.000 3.681 341 V HA 0.201 4.321 4.120 0.000 0.000 0.298 341 V C 1.384 177.443 176.094 -0.058 0.000 1.097 341 V CA 0.862 63.130 62.300 -0.053 0.000 1.125 341 V CB 1.152 32.945 31.823 -0.050 0.000 1.140 341 V HN 1.116 nan 8.190 nan 0.000 0.476 342 A N 1.627 124.401 122.820 -0.076 0.000 4.414 342 A HA -0.334 3.986 4.320 0.000 0.000 0.259 342 A C 1.823 179.337 177.584 -0.117 0.000 0.774 342 A CA 2.219 54.206 52.037 -0.083 0.000 1.184 342 A CB -1.782 17.188 19.000 -0.050 0.000 1.070 342 A HN 1.017 nan 8.150 nan 0.000 0.747 343 R N 0.420 120.857 120.500 -0.105 0.000 2.362 343 R HA 0.148 4.488 4.340 0.000 0.000 0.227 343 R C 0.766 176.949 176.300 -0.194 0.000 0.905 343 R CA 0.731 56.778 56.100 -0.089 0.000 1.067 343 R CB 0.046 30.351 30.300 0.009 0.000 1.078 343 R HN 0.874 nan 8.270 nan 0.000 0.516 344 Q N -0.418 119.234 119.800 -0.246 0.000 2.212 344 Q HA 0.252 4.592 4.340 0.000 0.000 0.238 344 Q C -1.220 174.496 176.000 -0.473 0.000 0.955 344 Q CA -0.575 55.099 55.803 -0.214 0.000 0.906 344 Q CB 1.279 29.965 28.738 -0.087 0.000 1.215 344 Q HN 0.176 nan 8.270 nan 0.000 0.478 345 H N -0.042 119.039 119.070 0.018 0.000 2.689 345 H HA 0.466 5.022 4.556 0.000 0.000 0.346 345 H C -0.962 174.346 175.328 -0.033 0.000 1.037 345 H CA -0.558 55.505 56.048 0.025 0.000 1.234 345 H CB 1.443 31.241 29.762 0.059 0.000 1.572 345 H HN 0.508 nan 8.280 nan 0.000 0.524 346 I N 2.119 122.710 120.570 0.034 0.000 2.365 346 I HA 0.198 4.368 4.170 0.000 0.000 0.291 346 I C 0.074 176.124 176.117 -0.112 0.000 1.004 346 I CA -0.076 61.146 61.300 -0.129 0.000 1.311 346 I CB 1.155 39.040 38.000 -0.191 0.000 1.401 346 I HN 0.574 nan 8.210 nan 0.000 0.491 347 E N 8.424 128.507 120.200 -0.193 0.000 2.220 347 E HA 0.502 4.852 4.350 0.000 0.000 0.256 347 E C -1.120 175.374 176.600 -0.177 0.000 0.881 347 E CA -0.637 55.698 56.400 -0.108 0.000 0.766 347 E CB 1.248 30.924 29.700 -0.040 0.000 1.187 347 E HN 0.593 nan 8.360 nan 0.000 0.419 348 M N 1.003 120.525 119.600 -0.130 0.000 2.691 348 M HA 0.668 5.148 4.480 0.000 0.000 0.293 348 M C -0.821 175.469 176.300 -0.016 0.000 1.259 348 M CA -0.986 54.267 55.300 -0.079 0.000 0.827 348 M CB 2.279 34.845 32.600 -0.056 0.000 1.753 348 M HN 0.204 nan 8.290 nan 0.000 0.465 349 S N -0.591 115.112 115.700 0.004 0.000 2.547 349 S HA 0.539 5.010 4.470 0.000 0.000 0.281 349 S C 0.154 174.748 174.600 -0.009 0.000 1.118 349 S CA -0.029 58.163 58.200 -0.014 0.000 0.947 349 S CB 1.763 64.930 63.200 -0.054 0.000 1.053 349 S HN 0.924 nan 8.310 nan 0.000 0.482 350 T N -0.113 114.436 114.554 -0.009 0.000 3.040 350 T HA 0.094 4.444 4.350 0.000 0.000 0.250 350 T C 1.386 176.071 174.700 -0.025 0.000 1.058 350 T CA 0.834 62.930 62.100 -0.006 0.000 0.988 350 T CB -0.283 68.587 68.868 0.003 0.000 0.993 350 T HN 0.680 nan 8.240 nan 0.000 0.519 351 T N -2.385 112.146 114.554 -0.038 0.000 2.990 351 T HA 0.621 4.971 4.350 0.000 0.000 0.250 351 T C 1.111 175.666 174.700 -0.241 0.000 1.041 351 T CA 0.359 62.437 62.100 -0.035 0.000 1.010 351 T CB 0.515 69.431 68.868 0.079 0.000 1.003 351 T HN 0.592 nan 8.240 nan 0.000 0.499 352 G N 0.400 108.905 108.800 -0.492 0.000 2.696 352 G HA2 0.475 4.435 3.960 0.000 0.000 0.151 352 G HA3 0.475 4.435 3.960 0.000 0.000 0.151 352 G C -1.576 173.061 174.900 -0.438 0.000 1.197 352 G CA -0.527 44.053 45.100 -0.866 0.000 1.053 352 G HN 0.478 nan 8.290 nan 0.000 0.546 353 W N -0.159 120.874 121.300 -0.445 0.000 2.181 353 W HA 0.753 5.414 4.660 0.000 0.000 0.415 353 W C -0.411 176.058 176.519 -0.082 0.000 1.689 353 W CA -1.250 55.969 57.345 -0.210 0.000 1.859 353 W CB 0.542 29.852 29.460 -0.249 0.000 1.425 353 W HN 0.270 nan 8.180 nan 0.000 0.713 354 V N 2.772 122.775 119.914 0.149 0.000 2.370 354 V HA 0.721 4.841 4.120 0.000 0.000 0.279 354 V C 0.676 176.855 176.094 0.143 0.000 1.029 354 V CA 0.184 62.525 62.300 0.068 0.000 0.870 354 V CB -0.047 31.815 31.823 0.065 0.000 0.984 354 V HN 1.292 nan 8.190 nan 0.000 0.451 355 G N 4.994 113.832 108.800 0.062 0.000 2.746 355 G HA2 -0.175 3.785 3.960 0.000 0.000 0.685 355 G HA3 -0.175 3.785 3.960 0.000 0.000 0.685 355 G C 0.281 175.287 174.900 0.177 0.000 1.350 355 G CA 0.110 45.277 45.100 0.112 0.000 0.837 355 G HN 0.639 nan 8.290 nan 0.000 0.564 356 R N -0.618 119.976 120.500 0.158 0.000 2.062 356 R HA 0.084 4.425 4.340 0.000 0.000 0.231 356 R C 1.964 178.262 176.300 -0.003 0.000 1.136 356 R CA 2.273 58.428 56.100 0.090 0.000 0.948 356 R CB -0.119 30.251 30.300 0.116 0.000 0.845 356 R HN 0.485 nan 8.270 nan 0.000 0.430 357 F N -1.053 119.041 119.950 0.240 0.000 2.789 357 F HA 0.271 4.798 4.527 0.000 0.000 0.320 357 F C 0.369 176.196 175.800 0.044 0.000 1.079 357 F CA -0.448 57.627 58.000 0.125 0.000 1.205 357 F CB 0.785 39.851 39.000 0.110 0.000 1.046 357 F HN -0.090 nan 8.300 nan 0.000 0.586 358 R N -0.416 120.227 120.500 0.239 0.000 2.825 358 R HA 0.295 4.636 4.340 0.000 0.000 0.274 358 R C -3.391 172.979 176.300 0.116 0.000 1.026 358 R CA -1.584 54.588 56.100 0.119 0.000 0.867 358 R CB 0.394 30.714 30.300 0.033 0.000 1.268 358 R HN -0.346 nan 8.270 nan 0.000 0.491 359 P HA -0.030 nan 4.420 nan 0.000 0.265 359 P C -0.018 177.309 177.300 0.045 0.000 1.193 359 P CA 0.147 63.276 63.100 0.050 0.000 0.765 359 P CB 0.907 32.615 31.700 0.014 0.000 0.823 360 S N 1.682 117.419 115.700 0.062 0.000 2.576 360 S HA 0.018 4.488 4.470 0.000 0.000 0.272 360 S C 0.220 174.836 174.600 0.027 0.000 1.352 360 S CA -0.581 57.666 58.200 0.079 0.000 1.021 360 S CB 0.559 63.826 63.200 0.112 0.000 0.887 360 S HN 0.608 nan 8.310 nan 0.000 0.542 361 E N 2.024 122.254 120.200 0.051 0.000 2.283 361 E HA 0.305 4.655 4.350 0.000 0.000 0.278 361 E C -2.342 174.219 176.600 -0.066 0.000 1.027 361 E CA -2.309 54.074 56.400 -0.028 0.000 0.843 361 E CB 0.773 30.466 29.700 -0.011 0.000 1.062 361 E HN 0.493 nan 8.360 nan 0.000 0.401 362 P HA 0.196 nan 4.420 nan 0.000 0.281 362 P C -1.089 176.051 177.300 -0.266 0.000 1.249 362 P CA -0.309 62.635 63.100 -0.260 0.000 0.810 362 P CB 1.024 32.256 31.700 -0.779 0.000 1.008 363 H N 1.747 120.833 119.070 0.026 0.000 2.762 363 H HA 0.292 4.848 4.556 0.000 0.000 0.310 363 H C -0.327 175.134 175.328 0.221 0.000 1.004 363 H CA -0.322 55.837 56.048 0.184 0.000 1.267 363 H CB 0.251 30.142 29.762 0.214 0.000 1.437 363 H HN 0.295 nan 8.280 nan 0.000 0.498 364 F N 1.899 122.015 119.950 0.277 0.000 2.399 364 F HA 0.055 4.582 4.527 0.000 0.000 0.342 364 F C 1.703 177.692 175.800 0.314 0.000 1.106 364 F CA -0.417 57.763 58.000 0.301 0.000 1.196 364 F CB 0.902 40.012 39.000 0.184 0.000 1.163 364 F HN 0.377 nan 8.300 nan 0.000 0.547 365 T N 0.381 115.232 114.554 0.495 0.000 2.701 365 T HA 0.063 4.413 4.350 0.000 0.000 0.303 365 T C 1.183 176.076 174.700 0.323 0.000 1.030 365 T CA -0.723 61.611 62.100 0.389 0.000 1.010 365 T CB 0.535 69.615 68.868 0.354 0.000 1.007 365 T HN 0.571 nan 8.240 nan 0.000 0.532 366 L N 1.294 122.663 121.223 0.244 0.000 2.013 366 L HA -0.102 4.238 4.340 0.000 0.000 0.212 366 L C 2.077 179.059 176.870 0.186 0.000 1.073 366 L CA 2.585 57.542 54.840 0.195 0.000 0.753 366 L CB -1.198 40.952 42.059 0.152 0.000 0.890 366 L HN 0.939 nan 8.230 nan 0.000 0.432 367 D N -1.430 119.081 120.400 0.184 0.000 2.363 367 D HA 0.094 4.734 4.640 0.000 0.000 0.220 367 D C 1.595 178.007 176.300 0.188 0.000 0.994 367 D CA 0.765 54.864 54.000 0.164 0.000 0.890 367 D CB -0.533 40.352 40.800 0.142 0.000 0.906 367 D HN 0.456 nan 8.370 nan 0.000 0.530 368 G N 0.312 109.266 108.800 0.257 0.000 2.160 368 G HA2 -0.390 3.570 3.960 0.000 0.000 0.251 368 G HA3 -0.390 3.570 3.960 0.000 0.000 0.251 368 G C 0.610 175.725 174.900 0.358 0.000 1.008 368 G CA 0.417 45.706 45.100 0.316 0.000 0.724 368 G HN 0.509 nan 8.290 nan 0.000 0.514 369 N N -0.338 118.538 118.700 0.293 0.000 2.299 369 N HA 0.296 5.036 4.740 0.000 0.000 0.187 369 N C 0.799 176.441 175.510 0.219 0.000 1.099 369 N CA 0.532 53.722 53.050 0.233 0.000 0.867 369 N CB 0.303 38.881 38.487 0.152 0.000 0.974 369 N HN 0.642 nan 8.380 nan 0.000 0.477 370 S N -0.164 115.694 115.700 0.264 0.000 2.625 370 S HA 0.717 5.187 4.470 0.000 0.000 0.271 370 S C -1.233 173.465 174.600 0.164 0.000 1.161 370 S CA -1.023 57.221 58.200 0.073 0.000 0.820 370 S CB 1.574 64.734 63.200 -0.066 0.000 1.137 370 S HN 0.167 nan 8.310 nan 0.000 0.470 371 F N -2.095 117.712 119.950 -0.238 0.000 2.741 371 F HA 0.814 5.341 4.527 0.000 0.000 0.311 371 F C -2.347 173.309 175.800 -0.240 0.000 1.149 371 F CA -1.497 56.316 58.000 -0.312 0.000 0.930 371 F CB 0.546 38.980 39.000 -0.944 0.000 1.312 371 F HN 0.611 nan 8.300 nan 0.000 0.450 372 Y N 1.161 121.638 120.300 0.296 0.000 2.429 372 Y HA 0.715 5.265 4.550 0.000 0.000 0.342 372 Y C -0.597 175.481 175.900 0.297 0.000 1.004 372 Y CA -0.918 57.338 58.100 0.261 0.000 1.075 372 Y CB 2.283 40.840 38.460 0.161 0.000 1.214 372 Y HN 0.738 nan 8.280 nan 0.000 0.455 373 K N 1.079 121.719 120.400 0.399 0.000 2.572 373 K HA 0.579 4.899 4.320 0.000 0.000 0.263 373 K C -1.926 174.827 176.600 0.254 0.000 0.932 373 K CA -0.666 55.801 56.287 0.300 0.000 0.838 373 K CB 1.273 33.880 32.500 0.180 0.000 1.366 373 K HN 0.582 nan 8.250 nan 0.000 0.425 374 I N 4.151 124.842 120.570 0.201 0.000 2.496 374 I HA 0.310 4.480 4.170 0.000 0.000 0.285 374 I C 0.232 176.450 176.117 0.168 0.000 1.080 374 I CA -0.334 61.066 61.300 0.167 0.000 1.404 374 I CB 0.219 38.294 38.000 0.126 0.000 1.403 374 I HN 0.685 nan 8.210 nan 0.000 0.539 375 I N 1.784 122.480 120.570 0.210 0.000 3.006 375 I HA 0.419 4.589 4.170 0.000 0.000 0.306 375 I C -0.462 175.765 176.117 0.183 0.000 1.250 375 I CA -0.775 60.642 61.300 0.194 0.000 0.996 375 I CB 2.205 40.347 38.000 0.237 0.000 1.261 375 I HN 0.360 nan 8.210 nan 0.000 0.442 376 S N 2.980 118.728 115.700 0.080 0.000 2.465 376 S HA 0.184 4.655 4.470 0.000 0.000 0.280 376 S C -0.029 174.597 174.600 0.043 0.000 1.232 376 S CA -0.203 57.984 58.200 -0.022 0.000 1.066 376 S CB -0.383 62.750 63.200 -0.112 0.000 0.929 376 S HN 0.774 nan 8.310 nan 0.000 0.494 377 N N 3.098 121.719 118.700 -0.131 0.000 2.294 377 N HA 0.054 4.794 4.740 0.000 0.000 0.248 377 N C 1.143 176.571 175.510 -0.137 0.000 1.300 377 N CA 0.031 52.882 53.050 -0.332 0.000 0.925 377 N CB 0.345 38.252 38.487 -0.966 0.000 1.188 377 N HN 0.639 nan 8.380 nan 0.000 0.512 378 E N 0.050 120.187 120.200 -0.106 0.000 2.171 378 E HA -0.250 4.100 4.350 0.000 0.000 0.197 378 E C 1.103 177.661 176.600 -0.070 0.000 0.997 378 E CA 1.617 57.984 56.400 -0.054 0.000 0.810 378 E CB -0.138 29.539 29.700 -0.039 0.000 0.738 378 E HN 0.739 nan 8.360 nan 0.000 0.467 379 E N -1.750 118.402 120.200 -0.080 0.000 2.478 379 E HA 0.028 4.378 4.350 0.000 0.000 0.194 379 E C 0.748 177.304 176.600 -0.074 0.000 1.045 379 E CA 0.610 56.995 56.400 -0.024 0.000 0.868 379 E CB -0.012 29.718 29.700 0.051 0.000 0.885 379 E HN 0.376 nan 8.360 nan 0.000 0.505 380 G N -0.003 108.705 108.800 -0.153 0.000 2.159 380 G HA2 -0.257 3.704 3.960 0.000 0.000 0.227 380 G HA3 -0.257 3.704 3.960 0.000 0.000 0.227 380 G C -0.431 174.187 174.900 -0.470 0.000 0.986 380 G CA 0.141 45.047 45.100 -0.323 0.000 0.651 380 G HN 0.216 nan 8.290 nan 0.000 0.523 381 Y N 0.491 120.629 120.300 -0.270 0.000 2.361 381 Y HA 0.676 5.226 4.550 0.000 0.000 0.332 381 Y C 1.160 176.817 175.900 -0.405 0.000 1.101 381 Y CA -0.825 57.075 58.100 -0.334 0.000 1.137 381 Y CB 0.989 39.243 38.460 -0.342 0.000 1.207 381 Y HN 0.059 nan 8.280 nan 0.000 0.463 382 R N 3.353 123.666 120.500 -0.312 0.000 2.267 382 R HA 0.306 4.646 4.340 0.000 0.000 0.319 382 R C -0.844 175.112 176.300 -0.572 0.000 1.067 382 R CA -0.202 55.721 56.100 -0.294 0.000 0.936 382 R CB 0.200 30.412 30.300 -0.148 0.000 1.006 382 R HN 0.642 nan 8.270 nan 0.000 0.452 383 H N 1.629 120.625 119.070 -0.123 0.000 2.949 383 H HA 0.346 4.902 4.556 0.000 0.000 0.356 383 H C -0.097 175.280 175.328 0.081 0.000 1.212 383 H CA -0.967 54.987 56.048 -0.157 0.000 1.136 383 H CB 1.553 31.085 29.762 -0.384 0.000 1.869 383 H HN 0.330 nan 8.280 nan 0.000 0.556 384 I N 1.266 121.925 120.570 0.150 0.000 2.471 384 I HA 0.035 4.206 4.170 0.000 0.000 0.286 384 I C 0.385 176.611 176.117 0.182 0.000 1.079 384 I CA 0.169 61.544 61.300 0.127 0.000 1.398 384 I CB 0.305 38.281 38.000 -0.039 0.000 1.403 384 I HN 0.130 nan 8.210 nan 0.000 0.530 385 c N 7.362 126.027 118.600 0.108 0.000 2.417 385 c HA 0.413 4.983 4.570 0.000 0.000 0.324 385 c C -0.372 173.652 174.090 -0.110 0.000 1.240 385 c CA -0.500 55.675 56.329 -0.256 0.000 1.632 385 c CB 0.866 42.971 42.510 -0.675 0.000 2.241 385 c HN 0.635 nan 8.230 nan 0.000 0.499 386 Y N 5.295 125.311 120.300 -0.474 0.000 2.341 386 Y HA 0.661 5.212 4.550 0.000 0.000 0.340 386 Y C -1.019 174.438 175.900 -0.738 0.000 0.997 386 Y CA -0.876 56.884 58.100 -0.567 0.000 1.149 386 Y CB 0.125 38.334 38.460 -0.418 0.000 1.171 386 Y HN 0.604 nan 8.280 nan 0.000 0.494 387 F N 3.143 122.401 119.950 -1.153 0.000 2.523 387 F HA 0.545 5.072 4.527 0.000 0.000 0.329 387 F C -0.354 174.734 175.800 -1.186 0.000 1.061 387 F CA -0.992 56.231 58.000 -1.294 0.000 0.967 387 F CB 1.668 39.474 39.000 -1.990 0.000 1.218 387 F HN 0.264 nan 8.300 nan 0.000 0.480 388 Q N 1.493 120.964 119.800 -0.548 0.000 2.331 388 Q HA 0.396 4.736 4.340 0.000 0.000 0.267 388 Q C 1.035 177.017 176.000 -0.030 0.000 1.006 388 Q CA -0.359 55.266 55.803 -0.297 0.000 0.818 388 Q CB 1.625 30.222 28.738 -0.235 0.000 1.276 388 Q HN 0.680 nan 8.270 nan 0.000 0.450 389 I N -1.062 119.592 120.570 0.140 0.000 2.479 389 I HA -0.252 3.918 4.170 0.000 0.000 0.258 389 I C 0.013 176.335 176.117 0.342 0.000 1.165 389 I CA 1.784 63.319 61.300 0.392 0.000 1.422 389 I CB -0.070 38.156 38.000 0.378 0.000 1.087 389 I HN 0.496 nan 8.210 nan 0.000 0.441 390 D N -0.650 119.855 120.400 0.174 0.000 2.469 390 D HA 0.202 4.842 4.640 0.000 0.000 0.215 390 D C 0.026 176.356 176.300 0.049 0.000 1.154 390 D CA -0.308 53.742 54.000 0.084 0.000 0.832 390 D CB 0.138 40.964 40.800 0.044 0.000 1.008 390 D HN 0.192 nan 8.370 nan 0.000 0.506 391 K N 0.793 121.242 120.400 0.083 0.000 2.159 391 K HA 0.315 4.635 4.320 0.000 0.000 0.266 391 K C 1.198 177.843 176.600 0.076 0.000 0.975 391 K CA -0.694 55.602 56.287 0.015 0.000 0.865 391 K CB 1.980 34.433 32.500 -0.078 0.000 1.087 391 K HN 0.012 nan 8.250 nan 0.000 0.446 392 K N 0.460 120.867 120.400 0.013 0.000 2.001 392 K HA -0.035 4.285 4.320 0.000 0.000 0.208 392 K C 0.164 176.770 176.600 0.009 0.000 1.048 392 K CA 1.026 57.333 56.287 0.033 0.000 0.932 392 K CB 0.031 32.523 32.500 -0.013 0.000 0.715 392 K HN 0.411 nan 8.250 nan 0.000 0.437 393 D N 1.020 121.357 120.400 -0.104 0.000 2.193 393 D HA 0.167 4.807 4.640 0.000 0.000 0.249 393 D C -0.291 175.747 176.300 -0.436 0.000 1.034 393 D CA -0.525 53.341 54.000 -0.223 0.000 0.902 393 D CB 1.632 42.324 40.800 -0.180 0.000 1.182 393 D HN 0.445 nan 8.370 nan 0.000 0.436 394 c N 0.728 118.885 118.600 -0.740 0.000 2.354 394 c HA 0.826 5.396 4.570 0.000 0.000 0.381 394 c C 0.179 173.808 174.090 -0.768 0.000 1.240 394 c CA -0.570 55.091 56.329 -1.113 0.000 2.089 394 c CB 0.952 42.079 42.510 -2.305 0.000 2.234 394 c HN 0.495 nan 8.230 nan 0.000 0.544 395 T N 1.633 115.797 114.554 -0.649 0.000 2.792 395 T HA 0.481 4.831 4.350 0.000 0.000 0.280 395 T C -0.777 173.691 174.700 -0.386 0.000 0.990 395 T CA 0.142 62.016 62.100 -0.377 0.000 0.960 395 T CB 0.387 69.186 68.868 -0.115 0.000 0.939 395 T HN 0.467 nan 8.240 nan 0.000 0.439 396 F N 3.601 123.422 119.950 -0.215 0.000 2.504 396 F HA 0.255 4.782 4.527 0.000 0.000 0.369 396 F C 1.627 177.231 175.800 -0.326 0.000 1.082 396 F CA -1.063 56.797 58.000 -0.233 0.000 1.216 396 F CB 0.344 39.214 39.000 -0.217 0.000 1.108 396 F HN 0.567 nan 8.300 nan 0.000 0.554 397 I N -0.309 120.123 120.570 -0.230 0.000 3.883 397 I HA 0.211 4.381 4.170 0.000 0.000 0.326 397 I C 0.228 176.122 176.117 -0.371 0.000 1.283 397 I CA 0.116 61.036 61.300 -0.633 0.000 1.161 397 I CB -0.167 37.214 38.000 -1.032 0.000 1.012 397 I HN 0.481 nan 8.210 nan 0.000 0.421 398 T N 0.068 114.467 114.554 -0.258 0.000 2.906 398 T HA 0.714 5.064 4.350 0.000 0.000 0.295 398 T C -0.679 173.552 174.700 -0.782 0.000 1.075 398 T CA -0.699 61.199 62.100 -0.337 0.000 1.005 398 T CB 2.723 71.461 68.868 -0.216 0.000 1.136 398 T HN 0.499 nan 8.240 nan 0.000 0.498 399 K N -0.290 119.481 120.400 -1.049 0.000 2.607 399 K HA 0.756 5.076 4.320 0.000 0.000 0.287 399 K C -0.454 175.503 176.600 -1.072 0.000 0.996 399 K CA -0.797 54.678 56.287 -1.353 0.000 0.876 399 K CB 1.266 33.377 32.500 -0.647 0.000 1.496 399 K HN 1.677 nan 8.250 nan 0.000 0.415 400 G N -0.058 108.212 108.800 -0.883 0.000 2.355 400 G HA2 0.063 4.023 3.960 0.000 0.000 0.619 400 G HA3 0.063 4.023 3.960 0.000 0.000 0.619 400 G C -0.677 173.724 174.900 -0.832 0.000 1.337 400 G CA -0.383 44.344 45.100 -0.622 0.000 0.993 400 G HN 1.054 nan 8.290 nan 0.000 0.599 401 T N -0.426 113.773 114.554 -0.592 0.000 4.058 401 T HA 0.560 4.910 4.350 0.000 0.000 0.252 401 T C 0.270 174.730 174.700 -0.400 0.000 1.264 401 T CA 0.577 62.114 62.100 -0.939 0.000 1.094 401 T CB -0.925 67.639 68.868 -0.507 0.000 1.316 401 T HN 1.492 nan 8.240 nan 0.000 0.872 402 W N -0.230 120.850 121.300 -0.367 0.000 2.895 402 W HA 0.660 5.320 4.660 0.000 0.000 0.377 402 W C -1.445 175.043 176.519 -0.052 0.000 1.191 402 W CA -1.006 56.295 57.345 -0.074 0.000 1.179 402 W CB 0.655 30.082 29.460 -0.055 0.000 1.469 402 W HN 0.196 nan 8.180 nan 0.000 0.577 403 E N 0.551 120.943 120.200 0.319 0.000 2.393 403 E HA 0.475 4.825 4.350 0.000 0.000 0.273 403 E C -1.342 175.382 176.600 0.207 0.000 0.918 403 E CA -1.145 55.231 56.400 -0.041 0.000 0.773 403 E CB 3.247 32.953 29.700 0.009 0.000 1.275 403 E HN 0.154 nan 8.360 nan 0.000 0.451 404 V N 2.992 122.902 119.914 -0.006 0.000 2.461 404 V HA 0.049 4.169 4.120 0.000 0.000 0.275 404 V C 1.116 177.297 176.094 0.144 0.000 1.047 404 V CA -0.194 62.191 62.300 0.140 0.000 0.955 404 V CB 0.778 32.589 31.823 -0.020 0.000 0.988 404 V HN 0.670 nan 8.190 nan 0.000 0.471 405 I N 2.968 123.648 120.570 0.183 0.000 2.400 405 I HA 0.256 4.426 4.170 0.000 0.000 0.248 405 I C 1.112 177.338 176.117 0.182 0.000 1.109 405 I CA 1.160 62.556 61.300 0.160 0.000 1.425 405 I CB -0.799 37.236 38.000 0.058 0.000 1.094 405 I HN 0.766 nan 8.210 nan 0.000 0.425 406 G N 0.687 109.600 108.800 0.187 0.000 2.616 406 G HA2 0.497 4.457 3.960 0.000 0.000 0.294 406 G HA3 0.497 4.457 3.960 0.000 0.000 0.294 406 G C -1.260 173.744 174.900 0.174 0.000 1.489 406 G CA -0.604 44.607 45.100 0.185 0.000 0.836 406 G HN -0.036 nan 8.290 nan 0.000 0.527 407 I N 1.759 122.388 120.570 0.099 0.000 2.325 407 I HA 0.238 4.408 4.170 0.000 0.000 0.291 407 I C 0.714 176.778 176.117 -0.088 0.000 1.019 407 I CA -0.549 60.706 61.300 -0.075 0.000 1.302 407 I CB 1.654 39.401 38.000 -0.422 0.000 1.401 407 I HN 0.501 nan 8.210 nan 0.000 0.485 408 E N 5.032 125.222 120.200 -0.017 0.000 2.307 408 E HA 0.315 4.665 4.350 0.000 0.000 0.195 408 E C 0.208 176.708 176.600 -0.166 0.000 0.975 408 E CA 0.202 56.618 56.400 0.026 0.000 0.878 408 E CB 0.776 30.580 29.700 0.173 0.000 0.845 408 E HN 0.675 nan 8.360 nan 0.000 0.488 409 A N 0.601 123.227 122.820 -0.322 0.000 2.605 409 A HA 0.613 4.933 4.320 0.000 0.000 0.294 409 A C -1.962 175.522 177.584 -0.167 0.000 1.062 409 A CA -0.655 51.134 52.037 -0.414 0.000 0.682 409 A CB 1.307 19.558 19.000 -1.248 0.000 1.278 409 A HN 0.043 nan 8.150 nan 0.000 0.410 410 L N 1.202 122.386 121.223 -0.065 0.000 2.464 410 L HA 0.864 5.204 4.340 0.000 0.000 0.266 410 L C -0.010 176.894 176.870 0.058 0.000 0.965 410 L CA 0.504 55.348 54.840 0.006 0.000 0.833 410 L CB 2.246 44.342 42.059 0.062 0.000 1.296 410 L HN 1.262 nan 8.230 nan 0.000 0.405 411 T N -0.481 114.122 114.554 0.082 0.000 2.864 411 T HA 0.408 4.758 4.350 0.000 0.000 0.289 411 T C 0.911 175.656 174.700 0.076 0.000 1.082 411 T CA 0.029 62.190 62.100 0.101 0.000 1.009 411 T CB 1.236 70.200 68.868 0.160 0.000 1.234 411 T HN 0.677 nan 8.240 nan 0.000 0.526 412 S N -0.542 115.202 115.700 0.074 0.000 2.447 412 S HA -0.123 4.347 4.470 0.000 0.000 0.233 412 S C 1.284 175.875 174.600 -0.014 0.000 1.006 412 S CA 1.280 59.511 58.200 0.051 0.000 0.957 412 S CB -0.608 62.624 63.200 0.054 0.000 0.773 412 S HN 0.716 nan 8.310 nan 0.000 0.507 413 D N 0.042 120.435 120.400 -0.012 0.000 2.144 413 D HA 0.191 4.831 4.640 0.000 0.000 0.207 413 D C -0.289 175.787 176.300 -0.374 0.000 0.970 413 D CA 0.866 54.779 54.000 -0.146 0.000 0.853 413 D CB 0.229 41.061 40.800 0.053 0.000 1.007 413 D HN 0.465 nan 8.370 nan 0.000 0.469 414 Y N -0.803 119.433 120.300 -0.106 0.000 2.609 414 Y HA 0.418 4.968 4.550 0.000 0.000 0.342 414 Y C -0.422 175.301 175.900 -0.296 0.000 1.058 414 Y CA -1.150 56.793 58.100 -0.262 0.000 1.055 414 Y CB 1.762 39.917 38.460 -0.509 0.000 1.292 414 Y HN -0.235 nan 8.280 nan 0.000 0.476 415 L N 2.725 123.835 121.223 -0.188 0.000 2.319 415 L HA 0.499 4.839 4.340 0.000 0.000 0.281 415 L C -1.894 174.862 176.870 -0.190 0.000 1.005 415 L CA -0.807 53.902 54.840 -0.217 0.000 0.828 415 L CB 0.260 42.108 42.059 -0.351 0.000 1.227 415 L HN 0.645 nan 8.230 nan 0.000 0.415 416 Y N 6.058 126.264 120.300 -0.157 0.000 2.320 416 Y HA 0.530 5.080 4.550 0.000 0.000 0.334 416 Y C -0.062 175.822 175.900 -0.027 0.000 1.055 416 Y CA -0.197 57.804 58.100 -0.165 0.000 1.143 416 Y CB 1.245 39.464 38.460 -0.401 0.000 1.193 416 Y HN 0.578 nan 8.280 nan 0.000 0.477 417 Y N 0.069 120.407 120.300 0.064 0.000 2.625 417 Y HA 0.804 5.354 4.550 0.000 0.000 0.338 417 Y C -1.825 174.146 175.900 0.119 0.000 1.123 417 Y CA -2.000 56.137 58.100 0.061 0.000 1.046 417 Y CB 1.105 39.579 38.460 0.024 0.000 1.299 417 Y HN 0.404 nan 8.280 nan 0.000 0.464 418 I N 2.995 123.717 120.570 0.254 0.000 2.404 418 I HA 0.653 4.823 4.170 0.000 0.000 0.293 418 I C -0.350 175.931 176.117 0.273 0.000 0.992 418 I CA -0.462 60.936 61.300 0.162 0.000 1.149 418 I CB 1.989 40.047 38.000 0.096 0.000 1.315 418 I HN 0.882 nan 8.210 nan 0.000 0.446 419 S N 3.198 119.016 115.700 0.197 0.000 2.705 419 S HA 0.455 4.925 4.470 0.000 0.000 0.280 419 S C -0.630 174.007 174.600 0.063 0.000 1.174 419 S CA -0.841 57.467 58.200 0.181 0.000 0.823 419 S CB 1.739 65.068 63.200 0.216 0.000 1.162 419 S HN 0.641 nan 8.310 nan 0.000 0.487 420 N N -0.542 118.197 118.700 0.064 0.000 2.401 420 N HA 0.163 4.903 4.740 0.000 0.000 0.264 420 N C 0.453 175.932 175.510 -0.052 0.000 1.238 420 N CA -0.274 52.778 53.050 0.004 0.000 0.889 420 N CB 0.332 38.813 38.487 -0.010 0.000 1.196 420 N HN 0.827 nan 8.380 nan 0.000 0.511 421 E N -0.049 119.970 120.200 -0.303 0.000 2.072 421 E HA -0.192 4.159 4.350 0.000 0.000 0.191 421 E C -0.336 176.106 176.600 -0.264 0.000 0.985 421 E CA 0.211 56.196 56.400 -0.692 0.000 0.801 421 E CB -0.098 28.553 29.700 -1.748 0.000 0.750 421 E HN 0.378 nan 8.360 nan 0.000 0.452 422 Y N 2.245 122.449 120.300 -0.160 0.000 2.865 422 Y HA -0.159 4.391 4.550 0.000 0.000 0.338 422 Y C 0.333 176.192 175.900 -0.069 0.000 1.269 422 Y CA 1.072 59.130 58.100 -0.071 0.000 1.585 422 Y CB -0.013 38.434 38.460 -0.023 0.000 1.224 422 Y HN 0.114 nan 8.280 nan 0.000 0.554 423 K N 3.301 123.378 120.400 -0.539 0.000 3.193 423 K HA -0.250 4.070 4.320 0.000 0.000 0.294 423 K C 0.826 177.339 176.600 -0.146 0.000 1.185 423 K CA 0.802 56.854 56.287 -0.391 0.000 0.866 423 K CB -1.806 30.428 32.500 -0.443 0.000 1.227 423 K HN 1.268 nan 8.250 nan 0.000 0.467 424 G N 0.790 109.521 108.800 -0.116 0.000 2.305 424 G HA2 -0.326 3.634 3.960 0.000 0.000 0.287 424 G HA3 -0.326 3.634 3.960 0.000 0.000 0.287 424 G C -0.017 174.855 174.900 -0.046 0.000 1.036 424 G CA 0.861 45.941 45.100 -0.034 0.000 0.887 424 G HN 0.336 nan 8.290 nan 0.000 0.505 425 M N 0.672 120.182 119.600 -0.150 0.000 2.055 425 M HA 0.231 4.712 4.480 0.000 0.000 0.347 425 M C -0.981 175.094 176.300 -0.375 0.000 1.123 425 M CA -2.111 52.952 55.300 -0.396 0.000 1.035 425 M CB 1.797 34.225 32.600 -0.287 0.000 1.484 425 M HN -0.059 nan 8.290 nan 0.000 0.428 426 P HA -0.070 nan 4.420 nan 0.000 0.222 426 P C 1.006 178.175 177.300 -0.218 0.000 1.147 426 P CA 1.143 64.083 63.100 -0.266 0.000 0.790 426 P CB 0.150 31.713 31.700 -0.228 0.000 0.780 427 G N -0.596 108.010 108.800 -0.323 0.000 3.233 427 G HA2 0.312 4.272 3.960 0.000 0.000 0.227 427 G HA3 0.312 4.272 3.960 0.000 0.000 0.227 427 G C 0.626 175.541 174.900 0.026 0.000 1.175 427 G CA 0.079 45.118 45.100 -0.103 0.000 0.781 427 G HN 0.424 nan 8.290 nan 0.000 0.542 428 G N -0.274 108.485 108.800 -0.069 0.000 2.473 428 G HA2 0.697 4.657 3.960 0.000 0.000 0.321 428 G HA3 0.697 4.657 3.960 0.000 0.000 0.321 428 G C -0.921 173.880 174.900 -0.166 0.000 1.200 428 G CA -0.936 44.154 45.100 -0.016 0.000 0.963 428 G HN 0.204 nan 8.290 nan 0.000 0.483 429 R N 0.792 121.145 120.500 -0.245 0.000 2.564 429 R HA 0.385 4.725 4.340 0.000 0.000 0.284 429 R C -1.295 174.972 176.300 -0.056 0.000 1.031 429 R CA -0.860 55.086 56.100 -0.257 0.000 0.904 429 R CB 2.319 32.256 30.300 -0.606 0.000 1.199 429 R HN 0.517 nan 8.270 nan 0.000 0.443 430 N N 1.802 120.501 118.700 -0.002 0.000 2.284 430 N HA 0.327 5.067 4.740 0.000 0.000 0.289 430 N C -1.519 173.913 175.510 -0.130 0.000 1.179 430 N CA -0.825 52.157 53.050 -0.114 0.000 0.774 430 N CB 2.602 40.904 38.487 -0.308 0.000 1.548 430 N HN 0.244 nan 8.380 nan 0.000 0.473 431 L N 2.117 123.126 121.223 -0.357 0.000 2.305 431 L HA 0.456 4.796 4.340 0.000 0.000 0.281 431 L C -1.357 175.224 176.870 -0.481 0.000 1.085 431 L CA 0.148 54.806 54.840 -0.303 0.000 0.813 431 L CB -0.085 41.778 42.059 -0.328 0.000 1.157 431 L HN 0.411 nan 8.230 nan 0.000 0.436 432 Y N 3.211 123.152 120.300 -0.598 0.000 2.633 432 Y HA 0.661 5.211 4.550 0.000 0.000 0.339 432 Y C -0.571 174.958 175.900 -0.618 0.000 1.045 432 Y CA -0.994 56.707 58.100 -0.664 0.000 1.098 432 Y CB 1.620 39.518 38.460 -0.938 0.000 1.296 432 Y HN 0.560 nan 8.280 nan 0.000 0.494 433 K N 1.341 121.571 120.400 -0.283 0.000 2.513 433 K HA 0.715 5.036 4.320 0.000 0.000 0.251 433 K C -2.003 174.569 176.600 -0.047 0.000 0.939 433 K CA -0.671 55.393 56.287 -0.371 0.000 0.793 433 K CB 2.657 34.680 32.500 -0.795 0.000 1.241 433 K HN 0.742 nan 8.250 nan 0.000 0.431 434 I N 2.193 122.819 120.570 0.092 0.000 2.404 434 I HA 0.182 4.352 4.170 0.000 0.000 0.293 434 I C -0.705 175.509 176.117 0.162 0.000 0.992 434 I CA -0.798 60.612 61.300 0.185 0.000 1.149 434 I CB 1.972 40.095 38.000 0.206 0.000 1.315 434 I HN 0.871 nan 8.210 nan 0.000 0.446 435 Q N 5.621 125.487 119.800 0.109 0.000 2.296 435 Q HA 0.106 4.446 4.340 0.000 0.000 0.263 435 Q C 0.099 176.002 176.000 -0.162 0.000 1.026 435 Q CA -0.517 55.161 55.803 -0.208 0.000 0.912 435 Q CB 1.116 29.743 28.738 -0.185 0.000 1.198 435 Q HN 0.742 nan 8.270 nan 0.000 0.407 436 L N 3.178 124.244 121.223 -0.260 0.000 2.353 436 L HA -0.096 4.244 4.340 0.000 0.000 0.220 436 L C 1.685 178.397 176.870 -0.264 0.000 1.133 436 L CA 1.327 56.070 54.840 -0.161 0.000 0.798 436 L CB -0.536 41.418 42.059 -0.175 0.000 0.922 436 L HN 0.608 nan 8.230 nan 0.000 0.445 437 S N -1.856 113.670 115.700 -0.290 0.000 2.486 437 S HA 0.043 4.513 4.470 0.000 0.000 0.220 437 S C 0.515 174.921 174.600 -0.324 0.000 1.011 437 S CA 0.144 58.176 58.200 -0.279 0.000 0.921 437 S CB 0.360 63.434 63.200 -0.210 0.000 0.785 437 S HN 0.348 nan 8.310 nan 0.000 0.517 438 D N -0.228 119.993 120.400 -0.298 0.000 2.323 438 D HA 0.213 4.853 4.640 0.000 0.000 0.242 438 D C -0.477 175.763 176.300 -0.100 0.000 1.347 438 D CA -0.469 53.394 54.000 -0.228 0.000 0.988 438 D CB 0.251 40.978 40.800 -0.121 0.000 1.314 438 D HN -0.052 nan 8.370 nan 0.000 0.564 439 Y N 1.306 121.582 120.300 -0.039 0.000 2.569 439 Y HA -0.071 4.480 4.550 0.000 0.000 0.293 439 Y C 2.426 178.328 175.900 0.004 0.000 1.144 439 Y CA 0.728 58.816 58.100 -0.020 0.000 1.321 439 Y CB -0.550 37.900 38.460 -0.018 0.000 0.982 439 Y HN 0.321 nan 8.280 nan 0.000 0.558 440 T N -0.301 114.329 114.554 0.127 0.000 3.085 440 T HA -0.014 4.336 4.350 0.000 0.000 0.263 440 T C 0.716 175.462 174.700 0.078 0.000 1.127 440 T CA 0.442 62.594 62.100 0.087 0.000 1.103 440 T CB -0.181 68.714 68.868 0.045 0.000 0.921 440 T HN 0.159 nan 8.240 nan 0.000 0.510 441 K N 2.013 122.460 120.400 0.078 0.000 2.290 441 K HA 0.396 4.717 4.320 0.000 0.000 0.250 441 K C -1.048 175.622 176.600 0.117 0.000 1.092 441 K CA -0.227 56.108 56.287 0.080 0.000 1.006 441 K CB 1.422 33.958 32.500 0.058 0.000 1.549 441 K HN 0.033 nan 8.250 nan 0.000 0.436 442 V N 2.373 122.358 119.914 0.118 0.000 2.398 442 V HA 0.373 4.493 4.120 0.000 0.000 0.286 442 V C -0.796 175.359 176.094 0.102 0.000 1.026 442 V CA -0.040 62.346 62.300 0.143 0.000 0.868 442 V CB 1.717 33.652 31.823 0.187 0.000 0.982 442 V HN 0.551 nan 8.190 nan 0.000 0.443 443 T N 6.230 120.811 114.554 0.045 0.000 2.792 443 T HA 0.293 4.643 4.350 0.000 0.000 0.280 443 T C -0.490 174.105 174.700 -0.176 0.000 0.990 443 T CA -0.254 61.814 62.100 -0.053 0.000 0.960 443 T CB 1.038 69.845 68.868 -0.102 0.000 0.939 443 T HN 0.889 nan 8.240 nan 0.000 0.439 444 C N 5.197 124.310 119.300 -0.312 0.000 2.394 444 C HA 0.422 4.883 4.460 0.000 0.000 0.362 444 C C 1.589 176.245 174.990 -0.557 0.000 1.268 444 C CA -0.555 57.996 59.018 -0.777 0.000 1.828 444 C CB -1.776 25.391 27.740 -0.954 0.000 2.442 444 C HN 0.987 nan 8.230 nan 0.000 0.549 445 L N 4.755 125.634 121.223 -0.573 0.000 2.529 445 L HA 0.106 4.446 4.340 0.000 0.000 0.223 445 L C 2.055 178.632 176.870 -0.488 0.000 1.113 445 L CA 0.776 55.365 54.840 -0.418 0.000 0.861 445 L CB -0.203 41.652 42.059 -0.340 0.000 1.012 445 L HN 0.892 nan 8.230 nan 0.000 0.461 446 S N -3.295 112.008 115.700 -0.660 0.000 2.631 446 S HA -0.021 4.449 4.470 0.000 0.000 0.246 446 S C 1.816 176.059 174.600 -0.595 0.000 1.068 446 S CA -0.022 57.707 58.200 -0.785 0.000 0.995 446 S CB -0.316 62.031 63.200 -1.422 0.000 0.944 446 S HN 0.291 nan 8.310 nan 0.000 0.529 447 C N 2.185 121.083 119.300 -0.671 0.000 2.385 447 C HA -0.057 4.403 4.460 0.000 0.000 0.275 447 C C 2.523 177.221 174.990 -0.487 0.000 1.199 447 C CA 1.642 60.179 59.018 -0.802 0.000 1.782 447 C CB -1.153 25.837 27.740 -1.250 0.000 2.068 447 C HN 0.612 nan 8.230 nan 0.000 0.471 448 E N -0.116 119.884 120.200 -0.334 0.000 2.472 448 E HA 0.171 4.521 4.350 0.000 0.000 0.196 448 E C 1.937 178.483 176.600 -0.090 0.000 1.033 448 E CA -0.037 56.266 56.400 -0.162 0.000 0.886 448 E CB -0.246 29.377 29.700 -0.128 0.000 0.944 448 E HN 0.562 nan 8.360 nan 0.000 0.492 449 L N 0.279 121.446 121.223 -0.093 0.000 2.043 449 L HA -0.134 4.207 4.340 0.000 0.000 0.212 449 L C 0.844 177.723 176.870 0.016 0.000 1.075 449 L CA 1.038 55.865 54.840 -0.021 0.000 0.752 449 L CB -0.051 42.015 42.059 0.012 0.000 0.891 449 L HN 0.127 nan 8.230 nan 0.000 0.432 450 N N -1.714 117.008 118.700 0.036 0.000 3.111 450 N HA 0.066 4.806 4.740 0.000 0.000 0.200 450 N C -2.118 173.411 175.510 0.031 0.000 1.464 450 N CA -0.820 52.246 53.050 0.026 0.000 0.758 450 N CB 0.786 39.285 38.487 0.021 0.000 1.548 450 N HN -0.201 nan 8.380 nan 0.000 0.595 451 P HA -0.137 nan 4.420 nan 0.000 0.216 451 P C 0.828 178.161 177.300 0.054 0.000 1.150 451 P CA 1.176 64.313 63.100 0.061 0.000 0.837 451 P CB 0.667 32.419 31.700 0.087 0.000 0.786 452 E N -0.107 120.111 120.200 0.030 0.000 2.047 452 E HA -0.162 4.188 4.350 0.000 0.000 0.191 452 E C 2.300 178.897 176.600 -0.004 0.000 0.987 452 E CA 1.016 57.426 56.400 0.017 0.000 0.799 452 E CB -0.404 29.299 29.700 0.006 0.000 0.752 452 E HN 0.333 nan 8.360 nan 0.000 0.449 453 R N -0.385 120.100 120.500 -0.024 0.000 2.128 453 R HA 0.067 4.407 4.340 0.000 0.000 0.211 453 R C 0.146 176.391 176.300 -0.091 0.000 1.067 453 R CA 0.536 56.598 56.100 -0.063 0.000 1.010 453 R CB 0.401 30.655 30.300 -0.077 0.000 0.922 453 R HN 0.025 nan 8.270 nan 0.000 0.457 454 c N 1.483 120.034 118.600 -0.082 0.000 2.291 454 c HA 0.413 4.983 4.570 0.000 0.000 0.322 454 c C 0.033 174.071 174.090 -0.087 0.000 1.205 454 c CA -0.665 55.551 56.329 -0.188 0.000 1.495 454 c CB 1.138 43.476 42.510 -0.286 0.000 2.127 454 c HN 0.528 nan 8.230 nan 0.000 0.452 455 Q N 0.606 120.360 119.800 -0.076 0.000 2.103 455 Q HA 0.199 4.539 4.340 0.000 0.000 0.219 455 Q C -0.994 175.055 176.000 0.082 0.000 0.784 455 Q CA 0.043 55.880 55.803 0.057 0.000 1.014 455 Q CB 1.301 30.098 28.738 0.098 0.000 1.183 455 Q HN 0.801 nan 8.270 nan 0.000 0.469 456 Y N 0.368 120.548 120.300 -0.200 0.000 2.317 456 Y HA 0.372 4.923 4.550 0.000 0.000 0.325 456 Y C -1.690 174.059 175.900 -0.252 0.000 1.066 456 Y CA -1.037 56.983 58.100 -0.135 0.000 1.203 456 Y CB 0.914 39.307 38.460 -0.112 0.000 1.127 456 Y HN -0.070 nan 8.280 nan 0.000 0.451 457 Y N 2.074 122.319 120.300 -0.093 0.000 2.562 457 Y HA 0.708 5.259 4.550 0.000 0.000 0.343 457 Y C 0.044 175.906 175.900 -0.064 0.000 1.025 457 Y CA -0.784 57.280 58.100 -0.061 0.000 1.082 457 Y CB 2.401 40.794 38.460 -0.113 0.000 1.264 457 Y HN 0.487 nan 8.280 nan 0.000 0.478 458 S N 0.524 116.331 115.700 0.178 0.000 2.632 458 S HA 0.881 5.351 4.470 0.000 0.000 0.289 458 S C -1.698 172.981 174.600 0.132 0.000 1.115 458 S CA -0.712 57.570 58.200 0.136 0.000 0.889 458 S CB 1.860 65.149 63.200 0.148 0.000 1.116 458 S HN 0.666 nan 8.310 nan 0.000 0.486 459 V N 0.363 120.359 119.914 0.137 0.000 3.130 459 V HA 0.894 5.014 4.120 0.000 0.000 0.310 459 V C -1.209 174.993 176.094 0.180 0.000 1.158 459 V CA -0.301 62.064 62.300 0.108 0.000 1.029 459 V CB 2.359 34.199 31.823 0.029 0.000 1.057 459 V HN 1.200 nan 8.190 nan 0.000 0.436 460 S N 3.777 119.566 115.700 0.149 0.000 2.775 460 S HA 0.632 5.102 4.470 0.000 0.000 0.277 460 S C -1.266 173.506 174.600 0.288 0.000 1.156 460 S CA -0.393 57.988 58.200 0.301 0.000 1.081 460 S CB 0.293 63.703 63.200 0.349 0.000 1.054 460 S HN 0.484 nan 8.310 nan 0.000 0.482 461 F N 3.063 123.089 119.950 0.126 0.000 2.371 461 F HA 0.459 4.986 4.527 0.000 0.000 0.329 461 F C 1.451 176.893 175.800 -0.597 0.000 1.107 461 F CA -0.271 57.645 58.000 -0.140 0.000 1.137 461 F CB 1.273 40.155 39.000 -0.196 0.000 1.214 461 F HN 0.609 nan 8.300 nan 0.000 0.536 462 S N 1.961 117.069 115.700 -0.987 0.000 2.617 462 S HA 0.149 4.619 4.470 0.000 0.000 0.259 462 S C 1.242 175.594 174.600 -0.414 0.000 1.301 462 S CA -0.836 56.513 58.200 -1.419 0.000 0.984 462 S CB 0.734 63.132 63.200 -1.337 0.000 0.954 462 S HN 0.533 nan 8.310 nan 0.000 0.572 463 K N 1.016 121.308 120.400 -0.181 0.000 2.077 463 K HA -0.144 4.176 4.320 0.000 0.000 0.213 463 K C 0.952 177.538 176.600 -0.023 0.000 1.051 463 K CA 1.723 58.001 56.287 -0.014 0.000 0.929 463 K CB -0.514 32.022 32.500 0.060 0.000 0.715 463 K HN 0.718 nan 8.250 nan 0.000 0.451 464 E N -0.971 119.188 120.200 -0.069 0.000 2.569 464 E HA 0.280 4.630 4.350 0.000 0.000 0.205 464 E C 0.090 176.643 176.600 -0.078 0.000 1.006 464 E CA 0.152 56.526 56.400 -0.044 0.000 0.985 464 E CB 0.472 30.156 29.700 -0.027 0.000 1.060 464 E HN 0.235 nan 8.360 nan 0.000 0.460 465 A N 1.366 124.125 122.820 -0.101 0.000 2.872 465 A HA -0.326 3.994 4.320 0.000 0.000 0.273 465 A C 1.501 179.043 177.584 -0.071 0.000 1.442 465 A CA 1.665 53.669 52.037 -0.055 0.000 0.801 465 A CB -2.141 16.726 19.000 -0.222 0.000 1.031 465 A HN 0.283 nan 8.150 nan 0.000 0.582 466 K N -1.781 118.501 120.400 -0.196 0.000 2.228 466 K HA 0.148 4.468 4.320 0.000 0.000 0.202 466 K C 0.067 176.338 176.600 -0.549 0.000 1.051 466 K CA 1.294 57.358 56.287 -0.372 0.000 0.960 466 K CB 0.021 32.217 32.500 -0.507 0.000 0.743 466 K HN 0.673 nan 8.250 nan 0.000 0.458 467 Y N -0.906 119.277 120.300 -0.194 0.000 2.581 467 Y HA 0.331 4.881 4.550 0.000 0.000 0.345 467 Y C -1.085 174.689 175.900 -0.209 0.000 1.036 467 Y CA -1.340 56.644 58.100 -0.192 0.000 1.042 467 Y CB 1.725 40.069 38.460 -0.193 0.000 1.289 467 Y HN -0.037 nan 8.280 nan 0.000 0.471 468 Y N -0.993 119.239 120.300 -0.114 0.000 2.513 468 Y HA 0.512 5.062 4.550 0.000 0.000 0.340 468 Y C -1.240 174.637 175.900 -0.039 0.000 1.055 468 Y CA -1.473 56.380 58.100 -0.411 0.000 1.020 468 Y CB 1.483 39.109 38.460 -1.390 0.000 1.301 468 Y HN 0.593 nan 8.280 nan 0.000 0.453 469 Q N 4.095 123.991 119.800 0.160 0.000 2.314 469 Q HA 0.537 4.877 4.340 0.000 0.000 0.259 469 Q C -1.694 174.377 176.000 0.118 0.000 0.951 469 Q CA -0.630 55.251 55.803 0.131 0.000 0.909 469 Q CB 1.251 30.044 28.738 0.091 0.000 1.236 469 Q HN 0.976 nan 8.270 nan 0.000 0.444 470 L N 4.173 125.482 121.223 0.144 0.000 2.334 470 L HA 0.513 4.853 4.340 0.000 0.000 0.277 470 L C -0.134 176.800 176.870 0.106 0.000 1.075 470 L CA -0.500 54.410 54.840 0.116 0.000 0.804 470 L CB 1.182 43.272 42.059 0.052 0.000 1.174 470 L HN 0.620 nan 8.230 nan 0.000 0.438 471 R N 2.282 122.836 120.500 0.091 0.000 2.467 471 R HA 0.277 4.617 4.340 0.000 0.000 0.299 471 R C -1.105 175.084 176.300 -0.185 0.000 1.120 471 R CA -0.512 55.471 56.100 -0.195 0.000 0.940 471 R CB 1.488 31.696 30.300 -0.154 0.000 1.161 471 R HN 0.593 nan 8.270 nan 0.000 0.506 472 c N 2.551 120.932 118.600 -0.365 0.000 2.435 472 c HA 0.380 4.950 4.570 0.000 0.000 0.375 472 c C 1.491 175.361 174.090 -0.368 0.000 1.281 472 c CA -0.147 55.827 56.329 -0.593 0.000 1.963 472 c CB 0.199 42.317 42.510 -0.653 0.000 2.490 472 c HN 0.963 nan 8.230 nan 0.000 0.557 473 S N 3.563 119.123 115.700 -0.233 0.000 2.730 473 S HA 0.600 5.070 4.470 0.000 0.000 0.244 473 S C 0.267 174.814 174.600 -0.089 0.000 1.022 473 S CA 0.233 58.359 58.200 -0.123 0.000 1.014 473 S CB 0.032 63.193 63.200 -0.065 0.000 0.963 473 S HN 1.908 nan 8.310 nan 0.000 0.540 474 G N 1.797 110.530 108.800 -0.112 0.000 2.325 474 G HA2 0.422 4.382 3.960 0.000 0.000 0.297 474 G HA3 0.422 4.382 3.960 0.000 0.000 0.297 474 G C -3.086 171.781 174.900 -0.056 0.000 1.448 474 G CA -0.611 44.461 45.100 -0.048 0.000 0.838 474 G HN -0.132 nan 8.290 nan 0.000 0.579 475 P HA 0.144 nan 4.420 nan 0.000 0.241 475 P C 1.185 178.485 177.300 -0.001 0.000 1.191 475 P CA 1.118 64.238 63.100 0.033 0.000 0.771 475 P CB 0.579 32.303 31.700 0.039 0.000 0.929 476 G N 0.319 109.044 108.800 -0.125 0.000 2.531 476 G HA2 0.444 4.404 3.960 0.000 0.000 0.281 476 G HA3 0.444 4.404 3.960 0.000 0.000 0.281 476 G C -0.372 174.239 174.900 -0.482 0.000 1.382 476 G CA -0.780 44.147 45.100 -0.287 0.000 1.045 476 G HN 0.030 nan 8.290 nan 0.000 0.533 477 L N 1.189 122.085 121.223 -0.545 0.000 2.461 477 L HA 0.176 4.516 4.340 0.000 0.000 0.272 477 L C -1.859 174.878 176.870 -0.222 0.000 1.197 477 L CA -1.277 53.272 54.840 -0.484 0.000 0.836 477 L CB 0.809 42.656 42.059 -0.352 0.000 1.105 477 L HN 0.231 nan 8.230 nan 0.000 0.477 478 P HA -0.019 nan 4.420 nan 0.000 0.263 478 P C -0.965 176.304 177.300 -0.052 0.000 1.175 478 P CA 0.112 63.168 63.100 -0.073 0.000 0.761 478 P CB 0.473 32.227 31.700 0.090 0.000 0.794 479 L N 5.495 126.608 121.223 -0.184 0.000 2.441 479 L HA 0.448 4.788 4.340 0.000 0.000 0.270 479 L C -1.759 175.004 176.870 -0.178 0.000 0.973 479 L CA -0.721 54.069 54.840 -0.084 0.000 0.842 479 L CB 0.744 42.755 42.059 -0.080 0.000 1.239 479 L HN 0.209 nan 8.230 nan 0.000 0.406 480 Y N 2.872 123.148 120.300 -0.040 0.000 2.331 480 Y HA 0.755 5.305 4.550 0.000 0.000 0.338 480 Y C 0.660 176.479 175.900 -0.135 0.000 0.992 480 Y CA -0.450 57.610 58.100 -0.067 0.000 1.121 480 Y CB 1.942 40.335 38.460 -0.112 0.000 1.184 480 Y HN 0.679 nan 8.280 nan 0.000 0.469 481 T N 1.306 115.882 114.554 0.035 0.000 2.896 481 T HA 0.706 5.056 4.350 0.000 0.000 0.297 481 T C -1.242 173.380 174.700 -0.130 0.000 1.108 481 T CA -0.964 61.090 62.100 -0.076 0.000 1.004 481 T CB 1.681 70.549 68.868 0.001 0.000 1.159 481 T HN 0.528 nan 8.240 nan 0.000 0.499 482 L N 1.713 122.703 121.223 -0.389 0.000 2.346 482 L HA 0.652 4.992 4.340 0.000 0.000 0.276 482 L C -1.024 175.447 176.870 -0.664 0.000 1.006 482 L CA -0.788 53.862 54.840 -0.317 0.000 0.817 482 L CB 1.629 43.560 42.059 -0.212 0.000 1.272 482 L HN 0.893 nan 8.230 nan 0.000 0.421 483 H N 0.103 118.923 119.070 -0.416 0.000 2.946 483 H HA 0.500 5.056 4.556 0.000 0.000 0.365 483 H C -0.669 174.401 175.328 -0.431 0.000 1.197 483 H CA -0.811 54.897 56.048 -0.567 0.000 1.131 483 H CB 1.943 31.047 29.762 -1.096 0.000 1.849 483 H HN 0.432 nan 8.280 nan 0.000 0.555 484 S N -0.260 115.354 115.700 -0.142 0.000 2.478 484 S HA 0.309 4.779 4.470 0.000 0.000 0.312 484 S C 0.276 174.852 174.600 -0.039 0.000 1.094 484 S CA -0.725 57.413 58.200 -0.103 0.000 1.081 484 S CB 1.726 64.890 63.200 -0.061 0.000 1.007 484 S HN 0.549 nan 8.310 nan 0.000 0.475 485 S N 2.159 117.868 115.700 0.015 0.000 2.382 485 S HA -0.123 4.347 4.470 0.000 0.000 0.228 485 S C 1.966 176.612 174.600 0.076 0.000 1.027 485 S CA 1.063 59.365 58.200 0.170 0.000 0.991 485 S CB -0.514 62.770 63.200 0.140 0.000 0.823 485 S HN 0.712 nan 8.310 nan 0.000 0.469 486 V N 2.273 122.184 119.914 -0.005 0.000 2.313 486 V HA -0.276 3.844 4.120 0.000 0.000 0.253 486 V C 0.859 176.970 176.094 0.028 0.000 1.070 486 V CA 2.308 64.616 62.300 0.013 0.000 1.057 486 V CB -0.446 31.367 31.823 -0.016 0.000 0.653 486 V HN 0.566 nan 8.190 nan 0.000 0.450 487 N N -1.456 117.256 118.700 0.021 0.000 2.184 487 N HA 0.173 4.913 4.740 0.000 0.000 0.234 487 N C -0.625 174.901 175.510 0.027 0.000 1.282 487 N CA 0.318 53.380 53.050 0.020 0.000 0.877 487 N CB 0.687 39.184 38.487 0.016 0.000 1.184 487 N HN 0.355 nan 8.380 nan 0.000 0.510 488 D N 1.355 121.792 120.400 0.062 0.000 2.699 488 D HA -0.166 4.474 4.640 0.000 0.000 0.239 488 D C -0.635 175.701 176.300 0.059 0.000 1.136 488 D CA 1.127 55.189 54.000 0.103 0.000 0.668 488 D CB -0.779 40.069 40.800 0.080 0.000 1.060 488 D HN 0.441 nan 8.370 nan 0.000 0.429 489 K N 0.131 120.546 120.400 0.026 0.000 2.174 489 K HA 0.463 4.783 4.320 0.000 0.000 0.275 489 K C 1.035 177.622 176.600 -0.022 0.000 1.015 489 K CA -0.372 55.919 56.287 0.006 0.000 0.933 489 K CB 1.213 33.709 32.500 -0.005 0.000 1.025 489 K HN 0.107 nan 8.250 nan 0.000 0.463 490 G N 3.048 111.821 108.800 -0.044 0.000 2.448 490 G HA2 0.182 4.142 3.960 0.000 0.000 0.309 490 G HA3 0.182 4.142 3.960 0.000 0.000 0.309 490 G C 0.792 175.560 174.900 -0.219 0.000 1.027 490 G CA -0.427 44.550 45.100 -0.205 0.000 1.104 490 G HN 0.549 nan 8.290 nan 0.000 0.428 491 L N 1.715 122.774 121.223 -0.274 0.000 1.973 491 L HA 0.160 4.500 4.340 0.000 0.000 0.208 491 L C 1.750 178.525 176.870 -0.158 0.000 1.073 491 L CA 1.234 55.978 54.840 -0.160 0.000 0.746 491 L CB -0.282 41.706 42.059 -0.120 0.000 0.891 491 L HN 0.706 nan 8.230 nan 0.000 0.433 492 R N -1.961 118.406 120.500 -0.222 0.000 2.728 492 R HA 0.486 4.826 4.340 0.000 0.000 0.274 492 R C -1.592 174.580 176.300 -0.212 0.000 1.030 492 R CA -0.915 55.082 56.100 -0.172 0.000 0.876 492 R CB 1.466 31.698 30.300 -0.113 0.000 1.259 492 R HN -0.247 nan 8.270 nan 0.000 0.468 493 V N 2.891 122.710 119.914 -0.158 0.000 2.461 493 V HA 0.173 4.293 4.120 0.000 0.000 0.275 493 V C 1.190 177.160 176.094 -0.208 0.000 1.047 493 V CA -0.362 61.847 62.300 -0.151 0.000 0.955 493 V CB 1.125 32.894 31.823 -0.089 0.000 0.988 493 V HN 0.654 nan 8.190 nan 0.000 0.471 494 L N 2.377 123.416 121.223 -0.307 0.000 2.253 494 L HA 0.337 4.677 4.340 0.000 0.000 0.205 494 L C 0.663 177.305 176.870 -0.379 0.000 1.078 494 L CA 0.600 55.081 54.840 -0.597 0.000 0.805 494 L CB 0.248 41.580 42.059 -1.212 0.000 0.963 494 L HN 0.689 nan 8.230 nan 0.000 0.459 495 E N 0.057 120.168 120.200 -0.150 0.000 2.343 495 E HA 0.110 4.460 4.350 0.000 0.000 0.286 495 E C -1.298 175.360 176.600 0.097 0.000 0.915 495 E CA -0.390 56.015 56.400 0.009 0.000 0.784 495 E CB 1.196 30.905 29.700 0.016 0.000 1.251 495 E HN 0.174 nan 8.360 nan 0.000 0.407 496 D N 2.760 123.195 120.400 0.057 0.000 2.469 496 D HA 0.172 4.812 4.640 0.000 0.000 0.213 496 D C -0.313 176.010 176.300 0.038 0.000 1.135 496 D CA -0.271 53.756 54.000 0.044 0.000 0.834 496 D CB 0.000 40.804 40.800 0.006 0.000 1.009 496 D HN 0.422 nan 8.370 nan 0.000 0.507 497 N N 0.496 119.232 118.700 0.059 0.000 2.721 497 N HA -0.214 4.526 4.740 0.000 0.000 0.249 497 N C 0.971 176.492 175.510 0.019 0.000 1.072 497 N CA 0.922 54.001 53.050 0.048 0.000 0.710 497 N CB -1.235 37.278 38.487 0.044 0.000 0.993 497 N HN 0.509 nan 8.380 nan 0.000 0.547 498 S N -1.143 114.568 115.700 0.019 0.000 2.383 498 S HA -0.011 4.460 4.470 0.000 0.000 0.227 498 S C 2.098 176.710 174.600 0.020 0.000 1.026 498 S CA 0.923 59.129 58.200 0.009 0.000 0.981 498 S CB -0.138 63.068 63.200 0.009 0.000 0.818 498 S HN 0.510 nan 8.310 nan 0.000 0.472 499 A N 2.631 125.472 122.820 0.036 0.000 1.841 499 A HA -0.017 4.303 4.320 0.000 0.000 0.216 499 A C 2.274 179.896 177.584 0.063 0.000 1.199 499 A CA 1.804 53.871 52.037 0.050 0.000 0.621 499 A CB -1.256 17.780 19.000 0.059 0.000 0.835 499 A HN 0.550 nan 8.150 nan 0.000 0.445 500 L N 0.473 121.741 121.223 0.075 0.000 2.043 500 L HA -0.231 4.109 4.340 0.000 0.000 0.212 500 L C 1.961 178.858 176.870 0.045 0.000 1.075 500 L CA 2.982 57.880 54.840 0.097 0.000 0.752 500 L CB -0.879 41.245 42.059 0.108 0.000 0.891 500 L HN 0.565 nan 8.230 nan 0.000 0.432 501 D N -0.975 119.427 120.400 0.005 0.000 2.149 501 D HA -0.220 4.420 4.640 0.000 0.000 0.198 501 D C 1.941 178.233 176.300 -0.013 0.000 0.990 501 D CA 1.256 55.237 54.000 -0.032 0.000 0.839 501 D CB 0.075 40.848 40.800 -0.046 0.000 0.948 501 D HN 0.202 nan 8.370 nan 0.000 0.460 502 K N -0.321 120.087 120.400 0.013 0.000 2.211 502 K HA -0.027 4.293 4.320 0.000 0.000 0.203 502 K C 2.143 178.766 176.600 0.039 0.000 1.050 502 K CA 0.599 56.900 56.287 0.023 0.000 0.945 502 K CB -0.284 32.236 32.500 0.032 0.000 0.732 502 K HN 0.409 nan 8.250 nan 0.000 0.451 503 M N 0.211 119.849 119.600 0.063 0.000 2.156 503 M HA -0.045 4.436 4.480 0.000 0.000 0.264 503 M C 2.011 178.303 176.300 -0.014 0.000 1.067 503 M CA 1.242 56.606 55.300 0.107 0.000 1.131 503 M CB -0.187 32.566 32.600 0.255 0.000 1.368 503 M HN -0.013 nan 8.290 nan 0.000 0.416 504 L N 0.239 121.402 121.223 -0.100 0.000 2.313 504 L HA -0.160 4.180 4.340 0.000 0.000 0.214 504 L C 2.559 179.376 176.870 -0.089 0.000 1.119 504 L CA 0.695 55.423 54.840 -0.188 0.000 0.809 504 L CB -0.697 41.265 42.059 -0.161 0.000 0.933 504 L HN 0.443 nan 8.230 nan 0.000 0.449 505 Q N -0.498 119.277 119.800 -0.040 0.000 2.364 505 Q HA -0.143 4.197 4.340 0.000 0.000 0.207 505 Q C 1.015 177.017 176.000 0.004 0.000 0.970 505 Q CA 1.151 56.945 55.803 -0.016 0.000 0.888 505 Q CB -0.270 28.466 28.738 -0.004 0.000 0.951 505 Q HN 0.450 nan 8.270 nan 0.000 0.469 506 N N 0.699 119.405 118.700 0.010 0.000 2.322 506 N HA 0.095 4.835 4.740 0.000 0.000 0.194 506 N C -0.655 174.881 175.510 0.045 0.000 1.126 506 N CA 0.175 53.248 53.050 0.039 0.000 0.845 506 N CB 1.440 39.966 38.487 0.065 0.000 0.976 506 N HN 0.129 nan 8.380 nan 0.000 0.475 507 V N 0.831 120.750 119.914 0.008 0.000 2.789 507 V HA 0.226 4.346 4.120 0.000 0.000 0.311 507 V C -0.842 175.260 176.094 0.015 0.000 1.073 507 V CA -0.786 61.529 62.300 0.026 0.000 0.921 507 V CB 2.259 34.074 31.823 -0.013 0.000 1.009 507 V HN 0.005 nan 8.190 nan 0.000 0.426 508 Q N 6.373 126.197 119.800 0.041 0.000 2.641 508 Q HA 0.282 4.622 4.340 0.000 0.000 0.225 508 Q C -0.382 175.599 176.000 -0.031 0.000 1.309 508 Q CA -0.050 55.749 55.803 -0.006 0.000 0.935 508 Q CB 0.320 29.070 28.738 0.020 0.000 1.557 508 Q HN 0.578 nan 8.270 nan 0.000 0.563 509 M N 3.540 123.107 119.600 -0.054 0.000 2.250 509 M HA 0.333 4.813 4.480 0.000 0.000 0.344 509 M C -1.900 174.344 176.300 -0.093 0.000 1.150 509 M CA -2.286 52.974 55.300 -0.067 0.000 1.147 509 M CB 0.027 32.590 32.600 -0.061 0.000 1.498 509 M HN 0.288 nan 8.290 nan 0.000 0.461 510 P HA 0.262 nan 4.420 nan 0.000 0.277 510 P C -0.760 176.479 177.300 -0.103 0.000 1.271 510 P CA -0.337 62.691 63.100 -0.120 0.000 0.795 510 P CB 0.706 32.324 31.700 -0.136 0.000 1.101 511 S N -0.924 114.706 115.700 -0.117 0.000 2.726 511 S HA 0.625 5.095 4.470 0.000 0.000 0.308 511 S C -0.610 173.926 174.600 -0.107 0.000 1.115 511 S CA -0.779 57.368 58.200 -0.087 0.000 0.965 511 S CB 1.723 64.876 63.200 -0.079 0.000 1.145 511 S HN 0.496 nan 8.310 nan 0.000 0.532 512 K N 0.567 120.926 120.400 -0.067 0.000 2.463 512 K HA 0.387 4.707 4.320 0.000 0.000 0.255 512 K C -1.311 175.262 176.600 -0.044 0.000 0.942 512 K CA -0.471 55.780 56.287 -0.060 0.000 0.814 512 K CB 1.280 33.765 32.500 -0.025 0.000 1.122 512 K HN 0.705 nan 8.250 nan 0.000 0.425 513 K N 5.330 125.695 120.400 -0.060 0.000 2.240 513 K HA 0.277 4.597 4.320 0.000 0.000 0.271 513 K C -1.428 175.167 176.600 -0.009 0.000 1.018 513 K CA -0.788 55.477 56.287 -0.037 0.000 0.874 513 K CB 0.848 33.308 32.500 -0.067 0.000 1.098 513 K HN 0.434 nan 8.250 nan 0.000 0.458 514 L N 4.502 125.737 121.223 0.019 0.000 2.298 514 L HA 0.496 4.836 4.340 0.000 0.000 0.284 514 L C -0.992 175.920 176.870 0.070 0.000 1.013 514 L CA 0.238 55.120 54.840 0.069 0.000 0.824 514 L CB 1.201 43.352 42.059 0.153 0.000 1.221 514 L HN 0.846 nan 8.230 nan 0.000 0.418 515 D N 2.947 123.234 120.400 -0.188 0.000 3.057 515 D HA 0.534 5.174 4.640 0.000 0.000 0.328 515 D C -1.540 174.465 176.300 -0.492 0.000 1.317 515 D CA 0.041 53.851 54.000 -0.317 0.000 0.973 515 D CB 1.481 42.026 40.800 -0.424 0.000 1.424 515 D HN 0.217 nan 8.370 nan 0.000 0.569 516 F N -0.350 119.279 119.950 -0.534 0.000 2.711 516 F HA 0.694 5.222 4.527 0.000 0.000 0.313 516 F C -1.099 174.799 175.800 0.163 0.000 1.141 516 F CA -1.064 56.771 58.000 -0.274 0.000 0.941 516 F CB 0.784 39.227 39.000 -0.929 0.000 1.349 516 F HN 0.323 nan 8.300 nan 0.000 0.464 517 I N -0.313 120.535 120.570 0.463 0.000 3.145 517 I HA 0.737 4.907 4.170 0.000 0.000 0.313 517 I C -1.480 174.878 176.117 0.401 0.000 1.122 517 I CA -1.347 60.136 61.300 0.306 0.000 0.987 517 I CB 2.597 40.731 38.000 0.225 0.000 1.236 517 I HN 0.643 nan 8.210 nan 0.000 0.453 518 I N 3.546 124.278 120.570 0.269 0.000 2.406 518 I HA 0.400 4.570 4.170 0.000 0.000 0.290 518 I C -0.891 175.364 176.117 0.231 0.000 0.999 518 I CA -0.572 60.890 61.300 0.270 0.000 1.124 518 I CB 1.962 40.078 38.000 0.194 0.000 1.289 518 I HN 0.356 nan 8.210 nan 0.000 0.441 519 L N 7.139 128.561 121.223 0.331 0.000 2.294 519 L HA 0.326 4.666 4.340 0.000 0.000 0.283 519 L C -0.246 176.751 176.870 0.211 0.000 1.015 519 L CA -0.879 54.109 54.840 0.247 0.000 0.831 519 L CB 1.030 43.252 42.059 0.273 0.000 1.217 519 L HN 0.777 nan 8.230 nan 0.000 0.420 520 N N 4.487 123.258 118.700 0.119 0.000 2.750 520 N HA -0.304 4.436 4.740 0.000 0.000 0.307 520 N C 0.264 175.827 175.510 0.088 0.000 1.174 520 N CA 1.286 54.386 53.050 0.084 0.000 0.751 520 N CB -0.308 38.214 38.487 0.059 0.000 1.005 520 N HN 0.870 nan 8.380 nan 0.000 0.570 521 E N -2.333 117.909 120.200 0.069 0.000 4.363 521 E HA -0.203 4.148 4.350 0.000 0.000 0.168 521 E C -0.199 176.419 176.600 0.029 0.000 1.142 521 E CA 2.184 58.610 56.400 0.044 0.000 2.522 521 E CB -2.000 27.719 29.700 0.031 0.000 1.706 521 E HN 0.786 nan 8.360 nan 0.000 0.510 522 T N 3.827 118.405 114.554 0.041 0.000 2.909 522 T HA 0.423 4.773 4.350 0.000 0.000 0.289 522 T C 0.456 175.088 174.700 -0.114 0.000 1.005 522 T CA -0.266 61.779 62.100 -0.091 0.000 1.084 522 T CB 1.463 70.213 68.868 -0.197 0.000 0.975 522 T HN 0.221 nan 8.240 nan 0.000 0.509 523 K N 1.871 122.098 120.400 -0.289 0.000 2.159 523 K HA 0.580 4.901 4.320 0.000 0.000 0.266 523 K C -1.529 174.830 176.600 -0.403 0.000 0.975 523 K CA -0.634 55.540 56.287 -0.189 0.000 0.865 523 K CB 0.972 33.254 32.500 -0.364 0.000 1.087 523 K HN 0.390 nan 8.250 nan 0.000 0.446 524 F N 1.476 121.531 119.950 0.176 0.000 2.540 524 F HA 0.381 4.908 4.527 0.000 0.000 0.317 524 F C -0.710 175.270 175.800 0.301 0.000 1.104 524 F CA -0.750 57.380 58.000 0.216 0.000 0.913 524 F CB 1.191 40.316 39.000 0.208 0.000 1.170 524 F HN 0.536 nan 8.300 nan 0.000 0.450 525 W N 2.923 124.427 121.300 0.340 0.000 2.283 525 W HA 0.522 5.183 4.660 0.000 0.000 0.341 525 W C -0.644 176.149 176.519 0.456 0.000 1.206 525 W CA -0.451 57.105 57.345 0.352 0.000 1.294 525 W CB 0.516 30.088 29.460 0.188 0.000 1.154 525 W HN 0.440 nan 8.180 nan 0.000 0.613 526 Y N -0.781 119.907 120.300 0.648 0.000 2.638 526 Y HA 0.587 5.137 4.550 0.000 0.000 0.335 526 Y C -1.115 175.031 175.900 0.410 0.000 1.155 526 Y CA -1.924 56.524 58.100 0.580 0.000 1.046 526 Y CB 0.928 39.861 38.460 0.789 0.000 1.303 526 Y HN 0.579 nan 8.280 nan 0.000 0.460 527 Q N 2.332 122.421 119.800 0.482 0.000 2.451 527 Q HA 0.804 5.144 4.340 0.000 0.000 0.281 527 Q C -1.773 174.378 176.000 0.251 0.000 1.099 527 Q CA -1.237 54.722 55.803 0.259 0.000 0.806 527 Q CB 3.448 32.288 28.738 0.170 0.000 1.419 527 Q HN 0.851 nan 8.270 nan 0.000 0.427 528 M N 2.303 121.968 119.600 0.109 0.000 2.267 528 M HA 0.408 4.888 4.480 0.000 0.000 0.289 528 M C -1.310 174.932 176.300 -0.096 0.000 1.043 528 M CA -0.865 54.426 55.300 -0.016 0.000 0.928 528 M CB 2.185 34.740 32.600 -0.075 0.000 1.613 528 M HN 0.595 nan 8.290 nan 0.000 0.450 529 I N 5.148 125.654 120.570 -0.106 0.000 2.322 529 I HA 0.314 4.484 4.170 0.000 0.000 0.292 529 I C -0.286 175.698 176.117 -0.222 0.000 1.060 529 I CA -0.169 61.047 61.300 -0.140 0.000 1.309 529 I CB 0.074 38.007 38.000 -0.112 0.000 1.415 529 I HN 0.641 nan 8.210 nan 0.000 0.492 530 L N 8.462 129.511 121.223 -0.290 0.000 2.307 530 L HA 0.424 4.764 4.340 0.000 0.000 0.282 530 L C -2.171 174.529 176.870 -0.283 0.000 1.051 530 L CA -1.807 52.772 54.840 -0.436 0.000 0.804 530 L CB 1.130 42.794 42.059 -0.660 0.000 1.197 530 L HN 0.249 nan 8.230 nan 0.000 0.431 531 P HA 0.098 nan 4.420 nan 0.000 0.269 531 P C -2.448 174.819 177.300 -0.054 0.000 1.215 531 P CA -0.862 62.187 63.100 -0.085 0.000 0.780 531 P CB -0.050 31.679 31.700 0.048 0.000 0.898 532 P HA -0.066 nan 4.420 nan 0.000 0.267 532 P C -0.306 176.899 177.300 -0.158 0.000 1.201 532 P CA 0.725 63.674 63.100 -0.251 0.000 0.775 532 P CB -0.183 31.308 31.700 -0.348 0.000 0.854 533 H N -1.232 117.887 119.070 0.081 0.000 2.626 533 H HA -0.219 4.337 4.556 0.000 0.000 0.317 533 H C 0.082 175.484 175.328 0.122 0.000 1.140 533 H CA -0.014 56.083 56.048 0.081 0.000 1.134 533 H CB -2.258 27.543 29.762 0.065 0.000 1.486 533 H HN 0.355 nan 8.280 nan 0.000 0.417 534 F N 2.386 122.337 119.950 0.002 0.000 2.578 534 F HA 0.201 4.728 4.527 0.000 0.000 0.376 534 F C 0.458 176.252 175.800 -0.011 0.000 1.085 534 F CA -0.351 57.598 58.000 -0.085 0.000 1.260 534 F CB 0.588 39.421 39.000 -0.280 0.000 1.095 534 F HN 0.208 nan 8.300 nan 0.000 0.573 535 D N 5.374 125.390 120.400 -0.640 0.000 2.469 535 D HA 0.165 4.805 4.640 0.000 0.000 0.251 535 D C 0.513 176.372 176.300 -0.734 0.000 1.173 535 D CA -0.618 53.056 54.000 -0.544 0.000 0.882 535 D CB 1.075 41.789 40.800 -0.143 0.000 1.129 535 D HN 0.639 nan 8.370 nan 0.000 0.549 536 K N 1.475 121.369 120.400 -0.844 0.000 2.442 536 K HA -0.142 4.178 4.320 0.000 0.000 0.199 536 K C 1.336 177.907 176.600 -0.048 0.000 1.044 536 K CA 1.078 57.103 56.287 -0.436 0.000 0.941 536 K CB 0.075 32.446 32.500 -0.214 0.000 0.759 536 K HN 0.159 nan 8.250 nan 0.000 0.472 537 S N 0.421 116.068 115.700 -0.088 0.000 2.425 537 S HA -0.029 4.442 4.470 0.000 0.000 0.225 537 S C 0.720 175.324 174.600 0.008 0.000 1.024 537 S CA 0.076 58.264 58.200 -0.019 0.000 0.951 537 S CB 0.015 63.188 63.200 -0.044 0.000 0.796 537 S HN 0.423 nan 8.310 nan 0.000 0.498 538 K N 1.199 121.605 120.400 0.010 0.000 2.126 538 K HA 0.250 4.571 4.320 0.000 0.000 0.257 538 K C -0.847 175.799 176.600 0.077 0.000 1.007 538 K CA -0.381 55.885 56.287 -0.036 0.000 0.928 538 K CB 0.535 32.924 32.500 -0.184 0.000 1.013 538 K HN 0.037 nan 8.250 nan 0.000 0.473 539 K N 2.714 123.075 120.400 -0.065 0.000 2.265 539 K HA 0.233 4.553 4.320 0.000 0.000 0.267 539 K C -1.411 175.145 176.600 -0.075 0.000 0.994 539 K CA -0.598 55.714 56.287 0.042 0.000 0.860 539 K CB 0.965 33.455 32.500 -0.018 0.000 1.099 539 K HN 0.370 nan 8.250 nan 0.000 0.448 540 Y N 2.689 123.034 120.300 0.074 0.000 2.487 540 Y HA 0.326 4.876 4.550 0.000 0.000 0.337 540 Y C -2.049 173.780 175.900 -0.119 0.000 1.076 540 Y CA -2.813 55.295 58.100 0.013 0.000 1.115 540 Y CB 0.908 39.441 38.460 0.121 0.000 1.235 540 Y HN 0.472 nan 8.280 nan 0.000 0.468 541 P HA 0.242 nan 4.420 nan 0.000 0.278 541 P C -1.095 176.009 177.300 -0.326 0.000 1.238 541 P CA -0.246 62.537 63.100 -0.528 0.000 0.794 541 P CB 1.818 32.825 31.700 -1.153 0.000 0.955 542 L N 3.181 124.267 121.223 -0.229 0.000 2.362 542 L HA 0.558 4.898 4.340 0.000 0.000 0.271 542 L C -1.137 175.895 176.870 0.269 0.000 1.002 542 L CA -1.148 53.705 54.840 0.021 0.000 0.818 542 L CB 1.715 43.777 42.059 0.005 0.000 1.298 542 L HN 0.270 nan 8.230 nan 0.000 0.420 543 L N 5.592 126.989 121.223 0.289 0.000 2.319 543 L HA 0.414 4.754 4.340 0.000 0.000 0.281 543 L C -1.221 175.859 176.870 0.349 0.000 1.005 543 L CA -0.876 54.195 54.840 0.385 0.000 0.828 543 L CB 1.808 44.055 42.059 0.314 0.000 1.227 543 L HN 0.605 nan 8.230 nan 0.000 0.415 544 L N 5.252 126.729 121.223 0.423 0.000 2.283 544 L HA 0.311 4.652 4.340 0.000 0.000 0.287 544 L C -0.228 176.872 176.870 0.383 0.000 1.073 544 L CA 0.172 55.251 54.840 0.400 0.000 0.822 544 L CB 0.691 43.038 42.059 0.479 0.000 1.186 544 L HN 0.477 nan 8.230 nan 0.000 0.436 545 D N 4.422 125.028 120.400 0.343 0.000 2.316 545 D HA 0.278 4.918 4.640 0.000 0.000 0.245 545 D C -0.965 175.430 176.300 0.157 0.000 1.171 545 D CA 0.122 54.267 54.000 0.241 0.000 0.856 545 D CB 1.349 42.335 40.800 0.310 0.000 1.090 545 D HN 0.360 nan 8.370 nan 0.000 0.476 546 V N 5.203 125.143 119.914 0.042 0.000 3.001 546 V HA 0.498 4.618 4.120 0.000 0.000 0.314 546 V C -1.119 175.079 176.094 0.174 0.000 1.099 546 V CA -0.422 61.962 62.300 0.139 0.000 0.989 546 V CB 1.945 33.857 31.823 0.148 0.000 1.040 546 V HN 0.669 nan 8.190 nan 0.000 0.434 547 Y N 3.913 124.289 120.300 0.127 0.000 3.284 547 Y HA 0.589 5.139 4.550 0.000 0.000 0.165 547 Y C 1.321 177.361 175.900 0.233 0.000 0.881 547 Y CA 1.372 59.573 58.100 0.168 0.000 1.837 547 Y CB 0.036 38.571 38.460 0.125 0.000 1.398 547 Y HN 1.259 nan 8.280 nan 0.000 0.336 548 A N 0.909 123.830 122.820 0.169 0.000 2.887 548 A HA -0.109 4.211 4.320 0.000 0.000 0.257 548 A C 0.872 178.288 177.584 -0.280 0.000 1.372 548 A CA 1.006 53.078 52.037 0.059 0.000 0.879 548 A CB -2.409 16.689 19.000 0.165 0.000 1.082 548 A HN 1.080 nan 8.150 nan 0.000 0.703 549 G N -0.971 107.404 108.800 -0.709 0.000 2.634 549 G HA2 0.493 4.454 3.960 0.000 0.000 0.255 549 G HA3 0.493 4.454 3.960 0.000 0.000 0.255 549 G C -2.301 172.263 174.900 -0.558 0.000 1.205 549 G CA -0.938 43.353 45.100 -1.349 0.000 0.884 549 G HN 0.285 nan 8.290 nan 0.000 0.549 550 P HA 0.095 nan 4.420 nan 0.000 0.263 550 P C 0.524 177.662 177.300 -0.269 0.000 1.195 550 P CA 0.166 62.969 63.100 -0.494 0.000 0.762 550 P CB 0.695 31.716 31.700 -1.132 0.000 0.799 551 C N 2.704 121.915 119.300 -0.149 0.000 4.456 551 C HA -0.149 4.311 4.460 0.000 0.000 0.288 551 C C 0.951 175.935 174.990 -0.010 0.000 1.374 551 C CA 1.102 59.998 59.018 -0.204 0.000 1.956 551 C CB -2.723 24.751 27.740 -0.442 0.000 1.255 551 C HN 0.781 nan 8.230 nan 0.000 0.788 552 S N -0.038 115.733 115.700 0.119 0.000 2.669 552 S HA 0.617 5.087 4.470 0.000 0.000 0.270 552 S C -0.625 174.134 174.600 0.265 0.000 1.225 552 S CA 0.060 58.430 58.200 0.282 0.000 0.991 552 S CB 1.696 65.142 63.200 0.411 0.000 0.987 552 S HN 0.839 nan 8.310 nan 0.000 0.552 553 Q N -0.081 119.905 119.800 0.309 0.000 2.309 553 Q HA 0.351 4.691 4.340 0.000 0.000 0.254 553 Q C -0.800 175.331 176.000 0.219 0.000 0.938 553 Q CA -0.586 55.393 55.803 0.292 0.000 0.789 553 Q CB 1.027 30.004 28.738 0.399 0.000 1.313 553 Q HN 0.693 nan 8.270 nan 0.000 0.438 554 K N 1.098 121.624 120.400 0.209 0.000 2.358 554 K HA 0.341 4.661 4.320 0.000 0.000 0.200 554 K C -0.428 176.283 176.600 0.185 0.000 1.030 554 K CA 0.271 56.671 56.287 0.188 0.000 1.097 554 K CB 1.590 34.224 32.500 0.224 0.000 0.862 554 K HN 0.484 nan 8.250 nan 0.000 0.534 555 A N 2.730 125.670 122.820 0.199 0.000 2.293 555 A HA 0.444 4.764 4.320 0.000 0.000 0.312 555 A C -0.840 176.823 177.584 0.133 0.000 1.309 555 A CA -0.570 51.590 52.037 0.204 0.000 0.839 555 A CB 0.247 19.432 19.000 0.307 0.000 1.155 555 A HN 0.223 nan 8.150 nan 0.000 0.501 556 D N -0.006 120.446 120.400 0.087 0.000 2.812 556 D HA 0.449 5.089 4.640 0.000 0.000 0.318 556 D C 0.356 176.673 176.300 0.029 0.000 1.234 556 D CA 0.285 54.320 54.000 0.059 0.000 0.989 556 D CB 0.321 41.157 40.800 0.060 0.000 1.442 556 D HN 0.168 nan 8.370 nan 0.000 0.537 557 T N -2.236 112.346 114.554 0.047 0.000 3.223 557 T HA 0.368 4.718 4.350 0.000 0.000 0.259 557 T C 0.286 174.950 174.700 -0.060 0.000 1.015 557 T CA -0.418 61.703 62.100 0.035 0.000 0.908 557 T CB -0.748 68.183 68.868 0.105 0.000 1.054 557 T HN 0.267 nan 8.240 nan 0.000 0.567 558 V N 2.364 122.143 119.914 -0.226 0.000 2.583 558 V HA 0.391 4.511 4.120 0.000 0.000 0.287 558 V C -0.010 176.034 176.094 -0.083 0.000 1.051 558 V CA -1.104 61.024 62.300 -0.286 0.000 1.010 558 V CB 0.410 31.929 31.823 -0.506 0.000 0.988 558 V HN 0.552 nan 8.190 nan 0.000 0.478 559 F N 6.150 126.005 119.950 -0.159 0.000 2.424 559 F HA 0.556 5.083 4.527 0.000 0.000 0.356 559 F C 0.496 176.242 175.800 -0.091 0.000 1.110 559 F CA -0.195 57.739 58.000 -0.110 0.000 1.161 559 F CB 0.265 39.209 39.000 -0.094 0.000 1.115 559 F HN 0.433 nan 8.300 nan 0.000 0.507 560 R N 5.626 125.696 120.500 -0.718 0.000 2.744 560 R HA 0.559 4.899 4.340 0.000 0.000 0.279 560 R C -1.853 174.053 176.300 -0.658 0.000 0.977 560 R CA -1.270 54.523 56.100 -0.511 0.000 0.906 560 R CB 1.919 32.072 30.300 -0.246 0.000 1.197 560 R HN 0.458 nan 8.270 nan 0.000 0.463 561 L N 4.178 125.186 121.223 -0.357 0.000 2.356 561 L HA 0.323 4.664 4.340 0.000 0.000 0.264 561 L C -0.822 176.031 176.870 -0.028 0.000 1.029 561 L CA -0.395 54.290 54.840 -0.257 0.000 0.897 561 L CB 0.115 42.155 42.059 -0.032 0.000 1.256 561 L HN 0.732 nan 8.230 nan 0.000 0.444 562 N N 0.021 118.626 118.700 -0.157 0.000 3.439 562 N HA 0.185 4.925 4.740 0.000 0.000 0.343 562 N C 0.528 175.694 175.510 -0.574 0.000 1.597 562 N CA -0.783 52.068 53.050 -0.332 0.000 0.733 562 N CB -0.090 38.332 38.487 -0.109 0.000 1.973 562 N HN 0.172 nan 8.380 nan 0.000 0.646 563 W N 0.571 121.282 121.300 -0.982 0.000 2.338 563 W HA 0.139 4.799 4.660 0.000 0.000 0.304 563 W C 2.067 178.535 176.519 -0.086 0.000 1.212 563 W CA 2.824 59.836 57.345 -0.556 0.000 1.264 563 W CB -1.017 28.254 29.460 -0.314 0.000 1.142 563 W HN 0.692 nan 8.180 nan 0.000 0.512 564 A N -0.484 122.314 122.820 -0.038 0.000 1.978 564 A HA -0.218 4.102 4.320 0.000 0.000 0.220 564 A C 1.933 179.413 177.584 -0.172 0.000 1.170 564 A CA 2.504 54.453 52.037 -0.146 0.000 0.636 564 A CB -1.258 17.743 19.000 0.001 0.000 0.810 564 A HN 0.316 nan 8.150 nan 0.000 0.448 565 T N -1.232 113.243 114.554 -0.130 0.000 2.708 565 T HA -0.190 4.160 4.350 0.000 0.000 0.266 565 T C 1.821 176.553 174.700 0.053 0.000 1.037 565 T CA 1.687 63.702 62.100 -0.141 0.000 1.146 565 T CB -0.504 68.143 68.868 -0.368 0.000 0.865 565 T HN 0.686 nan 8.240 nan 0.000 0.435 566 Y N 2.230 122.611 120.300 0.136 0.000 2.145 566 Y HA -0.079 4.471 4.550 0.000 0.000 0.286 566 Y C 1.977 177.857 175.900 -0.033 0.000 1.145 566 Y CA 0.950 59.147 58.100 0.162 0.000 1.148 566 Y CB -0.882 37.654 38.460 0.126 0.000 0.981 566 Y HN 0.120 nan 8.280 nan 0.000 0.507 567 L N 0.237 120.987 121.223 -0.787 0.000 2.043 567 L HA -0.265 4.075 4.340 0.000 0.000 0.212 567 L C 2.812 179.421 176.870 -0.436 0.000 1.075 567 L CA 1.556 55.884 54.840 -0.854 0.000 0.752 567 L CB -0.995 40.610 42.059 -0.758 0.000 0.891 567 L HN 0.440 nan 8.230 nan 0.000 0.432 568 A N -1.596 121.060 122.820 -0.273 0.000 1.930 568 A HA -0.148 4.172 4.320 0.000 0.000 0.215 568 A C 2.488 180.013 177.584 -0.099 0.000 1.176 568 A CA 1.575 53.516 52.037 -0.160 0.000 0.632 568 A CB -0.419 18.488 19.000 -0.155 0.000 0.819 568 A HN 0.341 nan 8.150 nan 0.000 0.445 569 S N -1.305 114.352 115.700 -0.073 0.000 2.395 569 S HA -0.076 4.395 4.470 0.000 0.000 0.225 569 S C 1.869 176.493 174.600 0.039 0.000 1.027 569 S CA 2.073 60.280 58.200 0.011 0.000 0.965 569 S CB -0.219 63.043 63.200 0.104 0.000 0.812 569 S HN 0.556 nan 8.310 nan 0.000 0.482 570 T N 0.906 115.457 114.554 -0.005 0.000 3.046 570 T HA 0.211 4.561 4.350 0.000 0.000 0.242 570 T C 1.211 175.894 174.700 -0.027 0.000 1.018 570 T CA 0.311 62.434 62.100 0.039 0.000 1.131 570 T CB -0.028 68.956 68.868 0.194 0.000 0.904 570 T HN 0.246 nan 8.240 nan 0.000 0.459 571 E N 1.472 121.568 120.200 -0.174 0.000 2.479 571 E HA 0.170 4.520 4.350 0.000 0.000 0.193 571 E C -0.126 176.455 176.600 -0.032 0.000 1.049 571 E CA -0.094 56.240 56.400 -0.109 0.000 0.870 571 E CB -0.408 29.168 29.700 -0.208 0.000 0.944 571 E HN 0.500 nan 8.360 nan 0.000 0.492 572 N N 0.706 119.401 118.700 -0.008 0.000 2.714 572 N HA -0.204 4.537 4.740 0.000 0.000 0.252 572 N C -0.858 174.731 175.510 0.132 0.000 1.014 572 N CA 0.366 53.478 53.050 0.104 0.000 0.735 572 N CB -1.272 37.318 38.487 0.171 0.000 0.924 572 N HN 0.238 nan 8.380 nan 0.000 0.540 573 I N 0.705 121.283 120.570 0.013 0.000 2.377 573 I HA 0.339 4.509 4.170 0.000 0.000 0.293 573 I C 0.558 176.655 176.117 -0.034 0.000 0.987 573 I CA -0.851 60.459 61.300 0.017 0.000 1.185 573 I CB 1.287 39.306 38.000 0.031 0.000 1.341 573 I HN 0.048 nan 8.210 nan 0.000 0.455 574 I N 6.601 127.155 120.570 -0.027 0.000 2.416 574 I HA 0.132 4.302 4.170 0.000 0.000 0.288 574 I C -0.361 175.728 176.117 -0.046 0.000 1.051 574 I CA -0.318 60.920 61.300 -0.102 0.000 1.375 574 I CB 0.963 38.895 38.000 -0.113 0.000 1.407 574 I HN 0.208 nan 8.210 nan 0.000 0.516 575 V N 7.237 127.116 119.914 -0.057 0.000 2.293 575 V HA 0.495 4.616 4.120 0.000 0.000 0.275 575 V C 0.501 176.614 176.094 0.033 0.000 1.021 575 V CA -0.457 61.857 62.300 0.024 0.000 0.815 575 V CB 0.953 32.791 31.823 0.024 0.000 1.025 575 V HN 0.836 nan 8.190 nan 0.000 0.448 576 A N 4.055 126.901 122.820 0.043 0.000 2.282 576 A HA 0.922 5.242 4.320 0.000 0.000 0.319 576 A C 0.085 177.797 177.584 0.212 0.000 1.121 576 A CA -0.400 51.659 52.037 0.037 0.000 0.836 576 A CB 1.287 20.126 19.000 -0.268 0.000 1.146 576 A HN 0.666 nan 8.150 nan 0.000 0.494 577 S N -0.596 115.289 115.700 0.309 0.000 2.546 577 S HA 0.700 5.170 4.470 0.000 0.000 0.274 577 S C -1.546 173.405 174.600 0.585 0.000 1.121 577 S CA -0.294 58.140 58.200 0.390 0.000 0.887 577 S CB 1.290 64.667 63.200 0.295 0.000 1.094 577 S HN 0.786 nan 8.310 nan 0.000 0.474 578 F N 1.852 122.036 119.950 0.390 0.000 2.569 578 F HA 0.520 5.047 4.527 0.000 0.000 0.312 578 F C -1.628 174.380 175.800 0.346 0.000 1.109 578 F CA -0.730 57.529 58.000 0.430 0.000 0.919 578 F CB 1.543 40.785 39.000 0.403 0.000 1.211 578 F HN 0.387 nan 8.300 nan 0.000 0.446 579 D N 4.362 124.510 120.400 -0.420 0.000 2.454 579 D HA 0.423 5.063 4.640 0.000 0.000 0.225 579 D C 0.246 176.177 176.300 -0.615 0.000 1.081 579 D CA 0.097 53.933 54.000 -0.273 0.000 0.864 579 D CB 1.544 42.373 40.800 0.048 0.000 1.040 579 D HN 0.784 nan 8.370 nan 0.000 0.517 580 G N 1.248 109.759 108.800 -0.481 0.000 2.890 580 G HA2 0.339 4.299 3.960 0.000 0.000 0.189 580 G HA3 0.339 4.299 3.960 0.000 0.000 0.189 580 G C 0.045 174.906 174.900 -0.065 0.000 1.342 580 G CA -0.706 44.130 45.100 -0.440 0.000 1.026 580 G HN 0.263 nan 8.290 nan 0.000 0.579 581 R N -0.814 119.626 120.500 -0.099 0.000 2.619 581 R HA 0.352 4.692 4.340 0.000 0.000 0.268 581 R C 1.400 177.773 176.300 0.121 0.000 0.990 581 R CA 2.157 58.316 56.100 0.098 0.000 1.092 581 R CB 0.291 30.636 30.300 0.074 0.000 0.935 581 R HN 1.289 nan 8.270 nan 0.000 0.415 582 G N 1.124 109.997 108.800 0.123 0.000 2.258 582 G HA2 -0.297 3.663 3.960 0.000 0.000 0.233 582 G HA3 -0.297 3.663 3.960 0.000 0.000 0.233 582 G C 0.198 175.120 174.900 0.038 0.000 1.006 582 G CA 0.133 45.286 45.100 0.088 0.000 0.620 582 G HN 0.648 nan 8.290 nan 0.000 0.511 583 S N 0.842 116.577 115.700 0.059 0.000 2.569 583 S HA 0.491 4.961 4.470 0.000 0.000 0.274 583 S C 1.007 175.586 174.600 -0.035 0.000 1.353 583 S CA 0.501 58.729 58.200 0.047 0.000 1.023 583 S CB 1.014 64.279 63.200 0.108 0.000 0.876 583 S HN 1.341 nan 8.310 nan 0.000 0.540 584 G N -0.312 108.419 108.800 -0.114 0.000 2.601 584 G HA2 0.516 4.476 3.960 0.000 0.000 0.317 584 G HA3 0.516 4.476 3.960 0.000 0.000 0.317 584 G C -1.045 173.678 174.900 -0.295 0.000 1.246 584 G CA -0.734 44.124 45.100 -0.405 0.000 1.012 584 G HN 0.790 nan 8.290 nan 0.000 0.494 585 Y N -2.363 117.943 120.300 0.009 0.000 4.604 585 Y HA -0.220 4.330 4.550 0.000 0.000 0.230 585 Y C 1.392 177.303 175.900 0.018 0.000 1.066 585 Y CA 1.072 59.183 58.100 0.017 0.000 1.990 585 Y CB -2.208 36.280 38.460 0.047 0.000 1.619 585 Y HN 0.553 nan 8.280 nan 0.000 0.649 586 Q N -0.134 119.687 119.800 0.035 0.000 2.086 586 Q HA 0.509 4.849 4.340 0.000 0.000 0.220 586 Q C 0.908 176.779 176.000 -0.216 0.000 0.792 586 Q CA 0.220 56.048 55.803 0.042 0.000 1.062 586 Q CB 1.706 30.465 28.738 0.036 0.000 1.198 586 Q HN 0.589 nan 8.270 nan 0.000 0.466 587 G N 0.763 109.289 108.800 -0.458 0.000 2.663 587 G HA2 -0.169 3.791 3.960 0.000 0.000 0.686 587 G HA3 -0.169 3.791 3.960 0.000 0.000 0.686 587 G C -0.539 173.969 174.900 -0.653 0.000 1.246 587 G CA -0.606 43.919 45.100 -0.960 0.000 0.795 587 G HN 0.088 nan 8.290 nan 0.000 0.627 588 D N 0.017 119.994 120.400 -0.704 0.000 2.219 588 D HA -0.057 4.583 4.640 0.000 0.000 0.205 588 D C 2.199 178.213 176.300 -0.476 0.000 0.970 588 D CA 1.270 54.813 54.000 -0.761 0.000 0.851 588 D CB 0.048 40.315 40.800 -0.889 0.000 0.943 588 D HN 0.622 nan 8.370 nan 0.000 0.488 589 K N 0.419 120.595 120.400 -0.373 0.000 2.103 589 K HA -0.142 4.178 4.320 0.000 0.000 0.207 589 K C 1.673 178.192 176.600 -0.135 0.000 1.048 589 K CA 0.909 57.071 56.287 -0.209 0.000 0.930 589 K CB 0.138 32.530 32.500 -0.180 0.000 0.716 589 K HN 0.005 nan 8.250 nan 0.000 0.444 590 I N 0.784 121.261 120.570 -0.156 0.000 2.296 590 I HA -0.159 4.011 4.170 0.000 0.000 0.242 590 I C 2.474 178.579 176.117 -0.019 0.000 1.087 590 I CA 1.003 62.286 61.300 -0.028 0.000 1.393 590 I CB -1.009 36.986 38.000 -0.009 0.000 1.093 590 I HN 0.340 nan 8.210 nan 0.000 0.421 591 M N 0.284 119.809 119.600 -0.126 0.000 2.080 591 M HA -0.237 4.243 4.480 0.000 0.000 0.260 591 M C 2.056 178.408 176.300 0.087 0.000 1.068 591 M CA 1.945 57.202 55.300 -0.071 0.000 1.109 591 M CB -0.394 32.070 32.600 -0.227 0.000 1.342 591 M HN 0.271 nan 8.290 nan 0.000 0.405 592 H N -0.720 118.243 119.070 -0.178 0.000 2.547 592 H HA 0.149 4.705 4.556 0.000 0.000 0.266 592 H C 1.874 177.210 175.328 0.013 0.000 0.988 592 H CA 0.089 56.039 56.048 -0.163 0.000 1.147 592 H CB 0.118 29.686 29.762 -0.324 0.000 1.365 592 H HN 0.544 nan 8.280 nan 0.000 0.589 593 A N 1.628 124.536 122.820 0.148 0.000 2.024 593 A HA -0.155 4.165 4.320 0.000 0.000 0.220 593 A C 2.032 179.807 177.584 0.318 0.000 1.164 593 A CA 1.260 53.384 52.037 0.145 0.000 0.643 593 A CB -0.685 18.349 19.000 0.057 0.000 0.806 593 A HN 0.585 nan 8.150 nan 0.000 0.451 594 I N -3.133 117.616 120.570 0.299 0.000 3.891 594 I HA 0.185 4.355 4.170 0.000 0.000 0.331 594 I C 0.318 176.534 176.117 0.165 0.000 1.406 594 I CA -0.536 60.918 61.300 0.257 0.000 1.139 594 I CB -0.514 37.599 38.000 0.188 0.000 1.056 594 I HN 0.210 nan 8.210 nan 0.000 0.399 595 N N 2.924 121.750 118.700 0.209 0.000 2.412 595 N HA -0.047 4.693 4.740 0.000 0.000 0.258 595 N C 0.248 175.783 175.510 0.042 0.000 1.236 595 N CA 0.231 53.393 53.050 0.187 0.000 0.882 595 N CB 0.364 38.920 38.487 0.115 0.000 1.066 595 N HN 0.429 nan 8.380 nan 0.000 0.465 596 R N 0.544 121.041 120.500 -0.004 0.000 4.023 596 R HA -0.197 4.143 4.340 0.000 0.000 0.368 596 R C -0.317 175.829 176.300 -0.257 0.000 1.187 596 R CA 0.926 56.971 56.100 -0.092 0.000 1.089 596 R CB -0.864 29.404 30.300 -0.054 0.000 1.574 596 R HN 0.569 nan 8.270 nan 0.000 0.564 597 R N 0.679 121.026 120.500 -0.256 0.000 2.718 597 R HA 0.355 4.695 4.340 0.000 0.000 0.307 597 R C -0.505 175.722 176.300 -0.121 0.000 1.244 597 R CA -0.195 55.606 56.100 -0.498 0.000 1.348 597 R CB 0.524 30.568 30.300 -0.426 0.000 1.304 597 R HN 0.078 nan 8.270 nan 0.000 0.663 598 L N -0.527 120.725 121.223 0.049 0.000 2.467 598 L HA 0.269 4.610 4.340 0.000 0.000 0.270 598 L C 1.336 178.455 176.870 0.414 0.000 1.205 598 L CA 0.745 55.679 54.840 0.157 0.000 0.828 598 L CB 0.569 42.549 42.059 -0.132 0.000 1.101 598 L HN 0.685 nan 8.230 nan 0.000 0.479 599 G N 0.559 109.634 108.800 0.457 0.000 2.136 599 G HA2 -0.289 3.671 3.960 0.000 0.000 0.242 599 G HA3 -0.289 3.671 3.960 0.000 0.000 0.242 599 G C 0.437 175.432 174.900 0.158 0.000 0.989 599 G CA 0.597 45.923 45.100 0.376 0.000 0.682 599 G HN 0.858 nan 8.290 nan 0.000 0.522 600 T N -3.612 110.988 114.554 0.076 0.000 3.257 600 T HA 0.462 4.812 4.350 0.000 0.000 0.176 600 T C 1.654 176.312 174.700 -0.069 0.000 0.892 600 T CA 0.925 62.956 62.100 -0.114 0.000 1.147 600 T CB -0.056 68.556 68.868 -0.427 0.000 1.840 600 T HN 0.156 nan 8.240 nan 0.000 0.375 601 F N 3.515 123.510 119.950 0.076 0.000 2.161 601 F HA 0.062 4.589 4.527 0.000 0.000 0.300 601 F C 2.806 178.644 175.800 0.063 0.000 1.089 601 F CA 1.310 59.343 58.000 0.055 0.000 1.282 601 F CB -0.660 38.366 39.000 0.044 0.000 1.010 601 F HN 0.512 nan 8.300 nan 0.000 0.485 602 E N 0.812 121.169 120.200 0.262 0.000 2.204 602 E HA -0.141 4.209 4.350 0.000 0.000 0.194 602 E C 2.289 179.002 176.600 0.188 0.000 0.989 602 E CA 1.414 57.942 56.400 0.213 0.000 0.824 602 E CB -1.138 28.692 29.700 0.217 0.000 0.756 602 E HN 0.356 nan 8.360 nan 0.000 0.477 603 V N 0.871 120.874 119.914 0.148 0.000 2.535 603 V HA -0.137 3.983 4.120 0.000 0.000 0.246 603 V C 1.940 178.084 176.094 0.082 0.000 1.045 603 V CA 1.784 64.133 62.300 0.083 0.000 1.058 603 V CB -0.145 31.680 31.823 0.005 0.000 0.689 603 V HN 0.152 nan 8.190 nan 0.000 0.461 604 E N -0.087 120.172 120.200 0.098 0.000 2.072 604 E HA -0.209 4.141 4.350 0.000 0.000 0.191 604 E C 1.908 178.553 176.600 0.075 0.000 0.985 604 E CA 1.618 58.071 56.400 0.089 0.000 0.801 604 E CB -0.181 29.594 29.700 0.126 0.000 0.750 604 E HN 0.608 nan 8.360 nan 0.000 0.452 605 D N 0.378 120.841 120.400 0.105 0.000 2.178 605 D HA -0.144 4.496 4.640 0.000 0.000 0.202 605 D C 1.932 178.278 176.300 0.076 0.000 0.974 605 D CA 0.844 54.893 54.000 0.082 0.000 0.841 605 D CB -0.099 40.780 40.800 0.132 0.000 0.953 605 D HN 0.014 nan 8.370 nan 0.000 0.478 606 Q N 0.311 120.208 119.800 0.161 0.000 2.119 606 Q HA 0.005 4.345 4.340 0.000 0.000 0.201 606 Q C 2.147 178.212 176.000 0.108 0.000 0.972 606 Q CA 0.817 56.730 55.803 0.184 0.000 0.847 606 Q CB -0.206 28.648 28.738 0.193 0.000 0.903 606 Q HN 0.348 nan 8.270 nan 0.000 0.433 607 I N -0.104 120.530 120.570 0.107 0.000 2.286 607 I HA -0.193 3.977 4.170 0.000 0.000 0.245 607 I C 2.142 178.223 176.117 -0.059 0.000 1.104 607 I CA 1.033 62.420 61.300 0.145 0.000 1.397 607 I CB -0.217 37.861 38.000 0.130 0.000 1.072 607 I HN 0.190 nan 8.210 nan 0.000 0.417 608 E N 1.686 121.808 120.200 -0.129 0.000 2.058 608 E HA -0.219 4.131 4.350 0.000 0.000 0.194 608 E C 2.106 178.438 176.600 -0.447 0.000 0.997 608 E CA 1.905 58.168 56.400 -0.227 0.000 0.801 608 E CB -0.253 29.340 29.700 -0.179 0.000 0.746 608 E HN 0.407 nan 8.360 nan 0.000 0.450 609 A N 0.960 123.366 122.820 -0.691 0.000 1.858 609 A HA -0.077 4.243 4.320 0.000 0.000 0.216 609 A C 2.507 179.384 177.584 -1.179 0.000 1.190 609 A CA 2.575 53.869 52.037 -1.238 0.000 0.617 609 A CB -1.244 16.693 19.000 -1.772 0.000 0.827 609 A HN 0.391 nan 8.150 nan 0.000 0.443 610 A N -0.527 121.975 122.820 -0.530 0.000 1.948 610 A HA -0.227 4.093 4.320 0.000 0.000 0.220 610 A C 2.257 179.648 177.584 -0.321 0.000 1.177 610 A CA 1.949 53.859 52.037 -0.211 0.000 0.636 610 A CB -0.535 18.447 19.000 -0.030 0.000 0.815 610 A HN 0.573 nan 8.150 nan 0.000 0.449 611 R N -0.535 119.758 120.500 -0.346 0.000 2.073 611 R HA -0.165 4.175 4.340 0.000 0.000 0.234 611 R C 2.354 178.485 176.300 -0.282 0.000 1.134 611 R CA 1.818 57.751 56.100 -0.279 0.000 0.952 611 R CB -0.275 29.892 30.300 -0.223 0.000 0.850 611 R HN 0.709 nan 8.270 nan 0.000 0.433 612 Q N -0.800 118.760 119.800 -0.399 0.000 2.172 612 Q HA -0.129 4.211 4.340 0.000 0.000 0.200 612 Q C 1.854 177.699 176.000 -0.257 0.000 0.964 612 Q CA 1.039 56.636 55.803 -0.342 0.000 0.855 612 Q CB 0.005 28.500 28.738 -0.405 0.000 0.918 612 Q HN 0.307 nan 8.270 nan 0.000 0.444 613 F N 1.032 120.815 119.950 -0.279 0.000 2.186 613 F HA -0.171 4.356 4.527 0.000 0.000 0.299 613 F C 2.782 178.400 175.800 -0.303 0.000 1.090 613 F CA 1.291 59.108 58.000 -0.306 0.000 1.307 613 F CB -1.135 37.704 39.000 -0.269 0.000 1.019 613 F HN 0.078 nan 8.300 nan 0.000 0.489 614 S N 0.092 115.750 115.700 -0.071 0.000 2.399 614 S HA -0.192 4.279 4.470 0.000 0.000 0.231 614 S C 1.724 176.237 174.600 -0.146 0.000 1.022 614 S CA 1.023 59.146 58.200 -0.128 0.000 0.983 614 S CB -0.615 62.496 63.200 -0.147 0.000 0.803 614 S HN 0.424 nan 8.310 nan 0.000 0.480 615 K N 0.540 120.855 120.400 -0.141 0.000 2.459 615 K HA 0.258 4.578 4.320 0.000 0.000 0.193 615 K C 1.919 178.435 176.600 -0.139 0.000 1.030 615 K CA 0.370 56.583 56.287 -0.124 0.000 1.026 615 K CB -0.236 32.200 32.500 -0.107 0.000 0.809 615 K HN 0.441 nan 8.250 nan 0.000 0.504 616 M N -0.473 118.999 119.600 -0.213 0.000 2.149 616 M HA -0.145 4.335 4.480 0.000 0.000 0.261 616 M C 1.700 177.850 176.300 -0.250 0.000 1.064 616 M CA 2.105 57.228 55.300 -0.295 0.000 1.102 616 M CB -0.318 31.891 32.600 -0.653 0.000 1.369 616 M HN 0.553 nan 8.290 nan 0.000 0.408 617 G N 0.034 108.685 108.800 -0.248 0.000 2.436 617 G HA2 -0.267 3.693 3.960 0.000 0.000 0.204 617 G HA3 -0.267 3.693 3.960 0.000 0.000 0.204 617 G C 0.538 175.442 174.900 0.006 0.000 1.026 617 G CA 0.159 45.212 45.100 -0.078 0.000 0.658 617 G HN 0.521 nan 8.290 nan 0.000 0.499 618 F N 1.353 121.369 119.950 0.109 0.000 2.660 618 F HA 0.782 5.309 4.527 0.000 0.000 0.302 618 F C 0.077 176.016 175.800 0.231 0.000 1.103 618 F CA -1.061 57.057 58.000 0.197 0.000 1.340 618 F CB 0.297 39.467 39.000 0.283 0.000 1.048 618 F HN 0.089 nan 8.300 nan 0.000 0.551 619 V N 1.649 121.471 119.914 -0.153 0.000 2.409 619 V HA 0.190 4.310 4.120 0.000 0.000 0.291 619 V C -0.765 175.281 176.094 -0.080 0.000 1.020 619 V CA -0.838 61.397 62.300 -0.109 0.000 0.848 619 V CB 1.439 33.094 31.823 -0.279 0.000 0.990 619 V HN 0.074 nan 8.190 nan 0.000 0.430 620 D N 4.295 124.662 120.400 -0.054 0.000 2.344 620 D HA 0.020 4.660 4.640 0.000 0.000 0.253 620 D C 1.322 177.563 176.300 -0.098 0.000 1.255 620 D CA -0.138 53.813 54.000 -0.082 0.000 0.894 620 D CB 0.776 41.511 40.800 -0.108 0.000 1.067 620 D HN 0.633 nan 8.370 nan 0.000 0.492 621 N N 3.886 122.533 118.700 -0.090 0.000 2.520 621 N HA -0.183 4.557 4.740 0.000 0.000 0.185 621 N C 0.770 176.234 175.510 -0.076 0.000 1.068 621 N CA 0.938 53.932 53.050 -0.094 0.000 0.911 621 N CB -0.089 38.341 38.487 -0.094 0.000 0.961 621 N HN 0.396 nan 8.380 nan 0.000 0.446 622 K N -0.321 120.044 120.400 -0.060 0.000 2.361 622 K HA 0.165 4.485 4.320 0.000 0.000 0.196 622 K C 0.234 176.834 176.600 -0.000 0.000 1.039 622 K CA 0.238 56.507 56.287 -0.030 0.000 1.001 622 K CB 0.395 32.880 32.500 -0.025 0.000 0.795 622 K HN 0.142 nan 8.250 nan 0.000 0.495 623 R N 1.302 121.776 120.500 -0.042 0.000 2.724 623 R HA 0.364 4.704 4.340 0.000 0.000 0.284 623 R C -0.968 175.313 176.300 -0.032 0.000 1.481 623 R CA -0.120 55.962 56.100 -0.030 0.000 1.652 623 R CB 0.573 30.708 30.300 -0.275 0.000 1.175 623 R HN -0.005 nan 8.270 nan 0.000 0.613 624 I N 1.228 121.909 120.570 0.184 0.000 2.436 624 I HA 0.528 4.698 4.170 0.000 0.000 0.289 624 I C -0.099 176.305 176.117 0.480 0.000 1.010 624 I CA -0.720 60.724 61.300 0.241 0.000 1.098 624 I CB 1.979 39.974 38.000 -0.008 0.000 1.266 624 I HN 0.370 nan 8.210 nan 0.000 0.434 625 A N 6.939 130.133 122.820 0.624 0.000 2.344 625 A HA 0.942 5.262 4.320 0.000 0.000 0.307 625 A C -1.106 176.809 177.584 0.552 0.000 1.151 625 A CA -0.665 51.688 52.037 0.526 0.000 0.842 625 A CB 2.066 21.211 19.000 0.243 0.000 1.350 625 A HN 0.719 nan 8.150 nan 0.000 0.459 626 I N -0.169 120.639 120.570 0.397 0.000 2.827 626 I HA 0.688 4.858 4.170 0.000 0.000 0.298 626 I C -2.065 174.300 176.117 0.414 0.000 1.235 626 I CA -0.546 60.934 61.300 0.300 0.000 1.021 626 I CB 1.802 39.715 38.000 -0.145 0.000 1.259 626 I HN 0.960 nan 8.210 nan 0.000 0.427 627 W N 6.761 128.181 121.300 0.200 0.000 3.146 627 W HA 0.821 5.481 4.660 0.000 0.000 0.319 627 W C -1.577 175.093 176.519 0.252 0.000 1.258 627 W CA -0.837 56.643 57.345 0.226 0.000 1.189 627 W CB 0.982 30.630 29.460 0.313 0.000 1.412 627 W HN 0.855 nan 8.180 nan 0.000 0.567 628 G N 0.866 109.620 108.800 -0.077 0.000 2.601 628 G HA2 0.484 4.444 3.960 0.000 0.000 0.291 628 G HA3 0.484 4.444 3.960 0.000 0.000 0.291 628 G C -2.804 172.059 174.900 -0.063 0.000 1.456 628 G CA -0.731 44.186 45.100 -0.306 0.000 0.804 628 G HN 0.604 nan 8.290 nan 0.000 0.499 629 W N 0.984 122.180 121.300 -0.173 0.000 2.702 629 W HA 0.604 5.264 4.660 0.000 0.000 0.331 629 W C 0.777 177.362 176.519 0.110 0.000 1.049 629 W CA 0.382 57.708 57.345 -0.031 0.000 1.230 629 W CB 1.871 31.300 29.460 -0.052 0.000 1.408 629 W HN 1.143 nan 8.180 nan 0.000 0.492 630 S N 2.452 118.400 115.700 0.414 0.000 4.116 630 S HA -0.427 4.043 4.470 0.000 0.000 0.623 630 S C 1.118 175.844 174.600 0.210 0.000 1.933 630 S CA 1.804 60.252 58.200 0.413 0.000 4.224 630 S CB -1.812 61.801 63.200 0.689 0.000 0.208 630 S HN 0.732 nan 8.310 nan 0.000 0.527 631 Y N 2.484 122.815 120.300 0.052 0.000 2.256 631 Y HA 0.016 4.566 4.550 0.000 0.000 0.288 631 Y C 2.289 178.128 175.900 -0.103 0.000 1.155 631 Y CA 2.472 60.490 58.100 -0.137 0.000 1.203 631 Y CB -0.985 37.200 38.460 -0.459 0.000 0.980 631 Y HN 0.499 nan 8.280 nan 0.000 0.530 632 G N -1.077 107.795 108.800 0.120 0.000 2.422 632 G HA2 -0.189 3.771 3.960 0.000 0.000 0.218 632 G HA3 -0.189 3.771 3.960 0.000 0.000 0.218 632 G C 1.906 176.862 174.900 0.094 0.000 1.140 632 G CA 0.661 45.844 45.100 0.139 0.000 0.775 632 G HN 0.564 nan 8.290 nan 0.000 0.545 633 G N -0.159 108.699 108.800 0.096 0.000 2.408 633 G HA2 -0.211 3.749 3.960 0.000 0.000 0.217 633 G HA3 -0.211 3.749 3.960 0.000 0.000 0.217 633 G C 1.575 176.499 174.900 0.040 0.000 1.150 633 G CA 1.026 46.160 45.100 0.056 0.000 0.776 633 G HN 0.412 nan 8.290 nan 0.000 0.542 634 Y N 1.347 121.555 120.300 -0.153 0.000 2.114 634 Y HA -0.137 4.413 4.550 0.000 0.000 0.284 634 Y C 2.775 178.577 175.900 -0.164 0.000 1.143 634 Y CA 1.753 59.699 58.100 -0.257 0.000 1.135 634 Y CB -0.464 37.673 38.460 -0.537 0.000 0.980 634 Y HN 0.024 nan 8.280 nan 0.000 0.499 635 V N -0.332 119.489 119.914 -0.155 0.000 2.407 635 V HA -0.305 3.815 4.120 0.000 0.000 0.248 635 V C 2.304 178.302 176.094 -0.161 0.000 1.055 635 V CA 2.358 64.555 62.300 -0.170 0.000 1.049 635 V CB -1.094 30.780 31.823 0.085 0.000 0.662 635 V HN 0.501 nan 8.190 nan 0.000 0.455 636 T N -0.160 114.350 114.554 -0.073 0.000 2.684 636 T HA -0.191 4.159 4.350 0.000 0.000 0.267 636 T C 2.144 176.797 174.700 -0.079 0.000 1.036 636 T CA 2.004 64.071 62.100 -0.056 0.000 1.148 636 T CB -0.257 68.655 68.868 0.073 0.000 0.863 636 T HN 0.519 nan 8.240 nan 0.000 0.436 637 S N 1.043 116.726 115.700 -0.029 0.000 2.368 637 S HA -0.022 4.448 4.470 0.000 0.000 0.225 637 S C 2.129 176.652 174.600 -0.129 0.000 1.030 637 S CA 0.926 59.133 58.200 0.012 0.000 0.999 637 S CB -0.261 62.976 63.200 0.061 0.000 0.844 637 S HN 0.324 nan 8.310 nan 0.000 0.459 638 M N 0.841 120.261 119.600 -0.299 0.000 2.132 638 M HA -0.005 4.475 4.480 0.000 0.000 0.263 638 M C 2.234 178.379 176.300 -0.259 0.000 1.065 638 M CA 1.046 56.153 55.300 -0.321 0.000 1.122 638 M CB -1.432 30.874 32.600 -0.491 0.000 1.365 638 M HN 0.172 nan 8.290 nan 0.000 0.411 639 V N 0.808 120.567 119.914 -0.258 0.000 2.295 639 V HA -0.246 3.874 4.120 0.000 0.000 0.246 639 V C 2.540 178.453 176.094 -0.301 0.000 1.049 639 V CA 1.432 63.584 62.300 -0.247 0.000 1.024 639 V CB -0.689 30.928 31.823 -0.344 0.000 0.648 639 V HN 0.407 nan 8.190 nan 0.000 0.447 640 L N 0.388 121.363 121.223 -0.413 0.000 2.191 640 L HA -0.084 4.256 4.340 0.000 0.000 0.212 640 L C 2.113 178.446 176.870 -0.895 0.000 1.103 640 L CA 1.494 55.990 54.840 -0.573 0.000 0.769 640 L CB -0.664 41.016 42.059 -0.632 0.000 0.908 640 L HN 0.500 nan 8.230 nan 0.000 0.438 641 G N -1.632 106.665 108.800 -0.838 0.000 3.434 641 G HA2 0.006 3.966 3.960 0.000 0.000 0.258 641 G HA3 0.006 3.966 3.960 0.000 0.000 0.258 641 G C 1.355 176.099 174.900 -0.259 0.000 1.128 641 G CA 0.538 45.248 45.100 -0.650 0.000 0.792 641 G HN 0.406 nan 8.290 nan 0.000 0.539 642 S N -0.927 114.641 115.700 -0.220 0.000 2.503 642 S HA 0.329 4.799 4.470 0.000 0.000 0.217 642 S C 1.865 176.421 174.600 -0.074 0.000 0.999 642 S CA 1.015 59.149 58.200 -0.110 0.000 0.914 642 S CB 0.025 63.181 63.200 -0.075 0.000 0.782 642 S HN 1.348 nan 8.310 nan 0.000 0.520 643 G N 1.542 110.288 108.800 -0.091 0.000 2.147 643 G HA2 -0.340 3.620 3.960 0.000 0.000 0.244 643 G HA3 -0.340 3.620 3.960 0.000 0.000 0.244 643 G C 0.976 175.864 174.900 -0.020 0.000 1.005 643 G CA 0.996 46.064 45.100 -0.052 0.000 0.713 643 G HN 1.226 nan 8.290 nan 0.000 0.515 644 S N -0.418 115.285 115.700 0.004 0.000 2.368 644 S HA 0.232 4.702 4.470 0.000 0.000 0.225 644 S C 2.667 177.269 174.600 0.003 0.000 1.030 644 S CA 2.095 60.310 58.200 0.025 0.000 0.999 644 S CB -0.410 62.852 63.200 0.103 0.000 0.844 644 S HN 2.478 nan 8.310 nan 0.000 0.459 645 G N -0.388 108.424 108.800 0.019 0.000 2.179 645 G HA2 -0.273 3.687 3.960 0.000 0.000 0.260 645 G HA3 -0.273 3.687 3.960 0.000 0.000 0.260 645 G C 0.795 175.674 174.900 -0.035 0.000 0.977 645 G CA 0.470 45.569 45.100 -0.001 0.000 0.641 645 G HN 0.772 nan 8.290 nan 0.000 0.533 646 V N -0.341 119.524 119.914 -0.082 0.000 2.488 646 V HA 0.254 4.374 4.120 0.000 0.000 0.246 646 V C 1.259 177.105 176.094 -0.413 0.000 1.046 646 V CA 1.501 63.610 62.300 -0.318 0.000 1.053 646 V CB -0.380 31.098 31.823 -0.575 0.000 0.679 646 V HN 0.309 nan 8.190 nan 0.000 0.458 647 F N -0.040 119.924 119.950 0.024 0.000 2.421 647 F HA 0.402 4.929 4.527 0.000 0.000 0.337 647 F C 1.109 176.948 175.800 0.066 0.000 1.105 647 F CA -0.532 57.507 58.000 0.065 0.000 1.049 647 F CB 1.323 40.365 39.000 0.071 0.000 1.139 647 F HN -0.248 nan 8.300 nan 0.000 0.479 648 K N 1.517 122.074 120.400 0.262 0.000 2.067 648 K HA 0.085 4.405 4.320 0.000 0.000 0.203 648 K C 0.007 176.723 176.600 0.193 0.000 1.048 648 K CA 0.980 57.379 56.287 0.187 0.000 0.954 648 K CB 0.221 32.830 32.500 0.182 0.000 0.737 648 K HN 0.809 nan 8.250 nan 0.000 0.444 649 c N -2.120 116.619 118.600 0.231 0.000 3.236 649 c HA 0.935 5.505 4.570 0.000 0.000 0.312 649 c C -0.107 174.188 174.090 0.340 0.000 1.374 649 c CA -0.674 55.812 56.329 0.261 0.000 1.455 649 c CB 1.084 43.647 42.510 0.088 0.000 1.834 649 c HN 0.399 nan 8.230 nan 0.000 0.460 650 G N 0.068 109.147 108.800 0.465 0.000 2.703 650 G HA2 0.676 4.636 3.960 0.000 0.000 0.294 650 G HA3 0.676 4.636 3.960 0.000 0.000 0.294 650 G C -1.857 173.287 174.900 0.407 0.000 1.451 650 G CA -0.638 44.710 45.100 0.413 0.000 0.869 650 G HN 0.939 nan 8.290 nan 0.000 0.516 651 I N 1.117 121.893 120.570 0.342 0.000 2.418 651 I HA 0.600 4.770 4.170 0.000 0.000 0.287 651 I C 0.237 176.478 176.117 0.206 0.000 1.008 651 I CA -0.941 60.453 61.300 0.158 0.000 1.104 651 I CB 2.151 40.252 38.000 0.169 0.000 1.264 651 I HN 0.620 nan 8.210 nan 0.000 0.438 652 A N 6.742 129.569 122.820 0.012 0.000 2.273 652 A HA 0.759 5.079 4.320 0.000 0.000 0.315 652 A C -0.689 176.812 177.584 -0.139 0.000 1.256 652 A CA -0.491 51.560 52.037 0.024 0.000 0.851 652 A CB 1.041 20.109 19.000 0.114 0.000 1.172 652 A HN 0.451 nan 8.150 nan 0.000 0.508 653 V N 2.124 121.914 119.914 -0.205 0.000 2.417 653 V HA 0.575 4.695 4.120 0.000 0.000 0.291 653 V C 0.953 176.668 176.094 -0.631 0.000 1.024 653 V CA 0.289 62.255 62.300 -0.556 0.000 0.861 653 V CB 0.845 32.032 31.823 -1.060 0.000 0.985 653 V HN 2.071 nan 8.190 nan 0.000 0.436 654 A N 5.504 127.932 122.820 -0.654 0.000 2.511 654 A HA -0.106 4.214 4.320 0.000 0.000 0.297 654 A C -1.641 175.791 177.584 -0.253 0.000 1.476 654 A CA 0.516 52.071 52.037 -0.802 0.000 0.757 654 A CB -1.565 17.075 19.000 -0.601 0.000 1.072 654 A HN 0.632 nan 8.150 nan 0.000 0.413 655 P HA 0.426 nan 4.420 nan 0.000 0.277 655 P C 0.056 177.325 177.300 -0.051 0.000 1.240 655 P CA -0.199 62.881 63.100 -0.034 0.000 0.798 655 P CB 1.413 33.112 31.700 -0.002 0.000 0.979 656 V N 2.311 122.108 119.914 -0.196 0.000 2.607 656 V HA 0.098 4.218 4.120 0.000 0.000 0.289 656 V C 1.707 177.629 176.094 -0.287 0.000 1.053 656 V CA 0.683 62.729 62.300 -0.424 0.000 0.996 656 V CB 0.929 32.115 31.823 -1.060 0.000 0.995 656 V HN 0.812 nan 8.190 nan 0.000 0.476 657 S N 4.026 119.586 115.700 -0.233 0.000 2.564 657 S HA 0.233 4.703 4.470 0.000 0.000 0.231 657 S C 0.491 174.934 174.600 -0.261 0.000 1.067 657 S CA -0.371 57.748 58.200 -0.134 0.000 0.908 657 S CB 0.287 63.466 63.200 -0.035 0.000 0.809 657 S HN 0.833 nan 8.310 nan 0.000 0.491 658 R N -1.202 119.028 120.500 -0.450 0.000 2.535 658 R HA 0.468 4.808 4.340 0.000 0.000 0.274 658 R C -0.931 175.064 176.300 -0.507 0.000 1.090 658 R CA -0.889 54.889 56.100 -0.536 0.000 0.930 658 R CB -0.158 29.778 30.300 -0.607 0.000 1.223 658 R HN 0.136 nan 8.270 nan 0.000 0.441 659 W N 1.483 122.718 121.300 -0.109 0.000 2.387 659 W HA -0.047 4.613 4.660 0.000 0.000 0.272 659 W C 1.067 177.720 176.519 0.223 0.000 1.224 659 W CA 0.816 58.195 57.345 0.056 0.000 1.210 659 W CB 0.201 29.653 29.460 -0.013 0.000 1.125 659 W HN 0.713 nan 8.180 nan 0.000 0.572 660 E N -0.892 119.465 120.200 0.261 0.000 2.338 660 E HA -0.186 4.165 4.350 0.000 0.000 0.197 660 E C 1.279 178.022 176.600 0.239 0.000 1.007 660 E CA 0.750 57.248 56.400 0.163 0.000 0.849 660 E CB -0.229 29.460 29.700 -0.018 0.000 0.774 660 E HN 0.390 nan 8.360 nan 0.000 0.506 661 Y N -1.278 119.126 120.300 0.172 0.000 2.517 661 Y HA 0.034 4.584 4.550 0.000 0.000 0.281 661 Y C 0.810 176.842 175.900 0.220 0.000 1.125 661 Y CA -0.252 57.929 58.100 0.135 0.000 1.283 661 Y CB -0.435 38.051 38.460 0.043 0.000 1.042 661 Y HN 0.014 nan 8.280 nan 0.000 0.547 662 Y N 2.029 122.507 120.300 0.295 0.000 2.334 662 Y HA 0.255 4.805 4.550 0.000 0.000 0.325 662 Y C 0.378 176.499 175.900 0.370 0.000 1.308 662 Y CA -2.092 56.187 58.100 0.298 0.000 1.389 662 Y CB 0.287 38.967 38.460 0.367 0.000 1.328 662 Y HN 0.199 nan 8.280 nan 0.000 0.532 663 D N -0.420 119.695 120.400 -0.476 0.000 2.423 663 D HA 0.054 4.694 4.640 0.000 0.000 0.238 663 D C 0.915 177.182 176.300 -0.055 0.000 1.142 663 D CA 0.471 54.267 54.000 -0.340 0.000 0.884 663 D CB 0.835 41.242 40.800 -0.655 0.000 1.199 663 D HN 0.482 nan 8.370 nan 0.000 0.438 664 S N 1.558 117.246 115.700 -0.019 0.000 2.343 664 S HA -0.233 4.237 4.470 0.000 0.000 0.219 664 S C 1.997 176.619 174.600 0.036 0.000 1.033 664 S CA 1.145 59.384 58.200 0.065 0.000 1.014 664 S CB -1.068 62.182 63.200 0.082 0.000 0.915 664 S HN 0.440 nan 8.310 nan 0.000 0.435 665 V N 1.118 120.989 119.914 -0.072 0.000 2.250 665 V HA -0.249 3.872 4.120 0.000 0.000 0.250 665 V C 2.303 178.308 176.094 -0.149 0.000 1.060 665 V CA 2.506 64.676 62.300 -0.217 0.000 1.030 665 V CB -1.104 30.448 31.823 -0.452 0.000 0.643 665 V HN 0.603 nan 8.190 nan 0.000 0.445 666 Y N 1.128 121.351 120.300 -0.127 0.000 2.109 666 Y HA -0.225 4.325 4.550 0.000 0.000 0.285 666 Y C 2.767 178.649 175.900 -0.030 0.000 1.131 666 Y CA 2.353 60.451 58.100 -0.004 0.000 1.121 666 Y CB -0.724 37.917 38.460 0.301 0.000 0.987 666 Y HN 0.230 nan 8.280 nan 0.000 0.495 667 T N 0.410 115.196 114.554 0.385 0.000 2.635 667 T HA -0.243 4.107 4.350 0.000 0.000 0.267 667 T C 1.601 176.276 174.700 -0.042 0.000 1.040 667 T CA 2.063 64.302 62.100 0.231 0.000 1.156 667 T CB -0.399 68.740 68.868 0.452 0.000 0.863 667 T HN 0.432 nan 8.240 nan 0.000 0.430 668 E N 0.358 120.563 120.200 0.009 0.000 2.204 668 E HA -0.110 4.240 4.350 0.000 0.000 0.195 668 E C 2.357 178.834 176.600 -0.204 0.000 0.990 668 E CA 0.548 56.941 56.400 -0.011 0.000 0.821 668 E CB -0.115 29.622 29.700 0.063 0.000 0.750 668 E HN 0.324 nan 8.360 nan 0.000 0.477 669 R N -0.064 120.156 120.500 -0.468 0.000 2.091 669 R HA -0.195 4.145 4.340 0.000 0.000 0.238 669 R C 1.364 177.119 176.300 -0.908 0.000 1.136 669 R CA 1.668 57.293 56.100 -0.791 0.000 0.959 669 R CB -0.027 29.464 30.300 -1.348 0.000 0.856 669 R HN 0.237 nan 8.270 nan 0.000 0.437 670 Y N -2.117 117.858 120.300 -0.542 0.000 2.503 670 Y HA 0.191 4.741 4.550 0.000 0.000 0.277 670 Y C 1.814 177.518 175.900 -0.327 0.000 1.102 670 Y CA 0.131 57.916 58.100 -0.524 0.000 1.261 670 Y CB 0.307 38.336 38.460 -0.718 0.000 1.096 670 Y HN -0.030 nan 8.280 nan 0.000 0.546 671 M N -0.495 118.977 119.600 -0.213 0.000 2.367 671 M HA 0.359 4.839 4.480 0.000 0.000 0.256 671 M C 1.098 177.387 176.300 -0.018 0.000 1.091 671 M CA 0.867 56.025 55.300 -0.236 0.000 1.049 671 M CB -0.404 31.828 32.600 -0.612 0.000 1.406 671 M HN 0.343 nan 8.290 nan 0.000 0.498 672 G N 1.709 110.534 108.800 0.041 0.000 2.642 672 G HA2 -0.198 3.762 3.960 0.000 0.000 0.231 672 G HA3 -0.198 3.762 3.960 0.000 0.000 0.231 672 G C -0.876 174.177 174.900 0.255 0.000 1.338 672 G CA -0.868 44.302 45.100 0.118 0.000 0.883 672 G HN 0.233 nan 8.290 nan 0.000 0.570 673 L N 2.360 123.696 121.223 0.188 0.000 2.334 673 L HA 0.508 4.848 4.340 0.000 0.000 0.277 673 L C -1.247 175.645 176.870 0.037 0.000 1.075 673 L CA -1.654 53.252 54.840 0.110 0.000 0.804 673 L CB 1.250 43.331 42.059 0.037 0.000 1.174 673 L HN 0.441 nan 8.230 nan 0.000 0.438 674 P HA 0.086 nan 4.420 nan 0.000 0.218 674 P C -0.626 176.543 177.300 -0.219 0.000 1.793 674 P CA -0.169 62.559 63.100 -0.620 0.000 0.941 674 P CB -0.405 30.642 31.700 -1.088 0.000 1.919 675 T N -2.846 111.664 114.554 -0.072 0.000 2.908 675 T HA 0.455 4.805 4.350 0.000 0.000 0.290 675 T C -1.938 172.768 174.700 0.010 0.000 1.034 675 T CA -2.427 59.655 62.100 -0.030 0.000 1.010 675 T CB 2.104 70.963 68.868 -0.015 0.000 1.068 675 T HN -0.196 nan 8.240 nan 0.000 0.481 676 P HA -0.069 nan 4.420 nan 0.000 0.220 676 P C 0.792 178.109 177.300 0.030 0.000 1.148 676 P CA 1.125 64.240 63.100 0.025 0.000 0.803 676 P CB 0.227 31.937 31.700 0.016 0.000 0.782 677 E N -0.421 119.792 120.200 0.022 0.000 2.150 677 E HA -0.114 4.236 4.350 0.000 0.000 0.193 677 E C 1.695 178.314 176.600 0.033 0.000 0.985 677 E CA 1.034 57.448 56.400 0.022 0.000 0.814 677 E CB -0.553 29.155 29.700 0.014 0.000 0.752 677 E HN 0.318 nan 8.360 nan 0.000 0.466 678 D N -0.635 119.791 120.400 0.044 0.000 2.685 678 D HA 0.085 4.725 4.640 0.000 0.000 0.254 678 D C 0.495 176.854 176.300 0.099 0.000 1.414 678 D CA 0.320 54.359 54.000 0.064 0.000 1.145 678 D CB -0.059 40.782 40.800 0.069 0.000 0.941 678 D HN 0.013 nan 8.370 nan 0.000 0.250 679 N N -0.243 118.552 118.700 0.158 0.000 2.241 679 N HA 0.032 4.772 4.740 0.000 0.000 0.238 679 N C 1.333 177.051 175.510 0.347 0.000 1.244 679 N CA -0.134 53.059 53.050 0.239 0.000 0.880 679 N CB 0.799 39.449 38.487 0.272 0.000 1.179 679 N HN 0.004 nan 8.380 nan 0.000 0.513 680 L N 1.340 122.687 121.223 0.208 0.000 2.051 680 L HA -0.182 4.158 4.340 0.000 0.000 0.214 680 L C 1.318 178.302 176.870 0.190 0.000 1.076 680 L CA 2.019 56.952 54.840 0.155 0.000 0.758 680 L CB -0.534 41.548 42.059 0.038 0.000 0.890 680 L HN 0.111 nan 8.230 nan 0.000 0.433 681 D N -1.428 119.064 120.400 0.153 0.000 2.116 681 D HA -0.258 4.382 4.640 0.000 0.000 0.193 681 D C 2.137 178.526 176.300 0.149 0.000 0.998 681 D CA 1.820 55.896 54.000 0.127 0.000 0.836 681 D CB -0.159 40.705 40.800 0.106 0.000 0.951 681 D HN 0.624 nan 8.370 nan 0.000 0.449 682 H N -1.322 117.813 119.070 0.108 0.000 2.462 682 H HA -0.040 4.516 4.556 0.000 0.000 0.292 682 H C 1.609 177.000 175.328 0.105 0.000 1.049 682 H CA 1.155 57.243 56.048 0.068 0.000 1.334 682 H CB -0.255 29.512 29.762 0.007 0.000 1.404 682 H HN 0.177 nan 8.280 nan 0.000 0.544 683 Y N 0.207 120.508 120.300 0.002 0.000 2.224 683 Y HA -0.156 4.394 4.550 0.000 0.000 0.289 683 Y C 2.255 178.123 175.900 -0.054 0.000 1.146 683 Y CA 1.376 59.480 58.100 0.008 0.000 1.182 683 Y CB 0.170 38.664 38.460 0.057 0.000 0.983 683 Y HN 0.132 nan 8.280 nan 0.000 0.524 684 R N -0.463 120.102 120.500 0.110 0.000 2.161 684 R HA -0.013 4.327 4.340 0.000 0.000 0.213 684 R C 1.186 177.469 176.300 -0.028 0.000 1.055 684 R CA 0.806 56.923 56.100 0.029 0.000 0.996 684 R CB -0.649 29.671 30.300 0.034 0.000 0.901 684 R HN 0.361 nan 8.270 nan 0.000 0.456 685 N N 0.057 118.712 118.700 -0.075 0.000 2.412 685 N HA -0.055 4.686 4.740 0.000 0.000 0.184 685 N C 0.343 175.764 175.510 -0.147 0.000 1.101 685 N CA 0.509 53.504 53.050 -0.091 0.000 0.881 685 N CB 0.397 38.858 38.487 -0.045 0.000 0.969 685 N HN 0.086 nan 8.380 nan 0.000 0.459 686 S N -1.204 114.367 115.700 -0.214 0.000 2.562 686 S HA 0.141 4.611 4.470 0.000 0.000 0.246 686 S C 0.458 175.074 174.600 0.027 0.000 1.056 686 S CA -0.769 57.368 58.200 -0.106 0.000 1.042 686 S CB -0.592 62.500 63.200 -0.181 0.000 0.822 686 S HN 0.172 nan 8.310 nan 0.000 0.465 687 T N -1.823 112.709 114.554 -0.037 0.000 2.874 687 T HA 0.540 4.890 4.350 0.000 0.000 0.281 687 T C 1.236 175.900 174.700 -0.061 0.000 0.994 687 T CA -0.607 61.458 62.100 -0.059 0.000 1.015 687 T CB 1.256 70.064 68.868 -0.100 0.000 1.028 687 T HN -0.044 nan 8.240 nan 0.000 0.523 688 V N 1.703 121.569 119.914 -0.081 0.000 2.446 688 V HA -0.098 4.022 4.120 0.000 0.000 0.244 688 V C 2.712 178.739 176.094 -0.112 0.000 1.039 688 V CA 1.408 63.647 62.300 -0.102 0.000 1.045 688 V CB -0.732 31.018 31.823 -0.121 0.000 0.681 688 V HN 0.877 nan 8.190 nan 0.000 0.459 689 M N 1.149 120.673 119.600 -0.127 0.000 2.346 689 M HA -0.109 4.371 4.480 0.000 0.000 0.263 689 M C 2.224 178.471 176.300 -0.088 0.000 1.064 689 M CA 2.097 57.316 55.300 -0.135 0.000 1.083 689 M CB -1.948 30.589 32.600 -0.104 0.000 1.399 689 M HN 0.556 nan 8.290 nan 0.000 0.435 690 S N 0.543 116.207 115.700 -0.060 0.000 2.481 690 S HA -0.003 4.467 4.470 0.000 0.000 0.231 690 S C 1.844 176.437 174.600 -0.012 0.000 0.996 690 S CA 0.317 58.496 58.200 -0.035 0.000 0.942 690 S CB -0.330 62.851 63.200 -0.032 0.000 0.768 690 S HN 0.616 nan 8.310 nan 0.000 0.520 691 R N 0.426 120.932 120.500 0.010 0.000 2.362 691 R HA 0.440 4.780 4.340 0.000 0.000 0.227 691 R C 2.344 178.751 176.300 0.177 0.000 0.905 691 R CA 0.445 56.592 56.100 0.078 0.000 1.067 691 R CB -0.329 30.030 30.300 0.099 0.000 1.078 691 R HN 0.463 nan 8.270 nan 0.000 0.516 692 A N 1.975 124.823 122.820 0.046 0.000 1.923 692 A HA -0.364 3.956 4.320 0.000 0.000 0.222 692 A C 2.040 179.702 177.584 0.130 0.000 1.258 692 A CA 2.309 54.330 52.037 -0.027 0.000 0.670 692 A CB -0.539 18.384 19.000 -0.128 0.000 0.834 692 A HN 0.355 nan 8.150 nan 0.000 0.470 693 E N 0.381 120.628 120.200 0.079 0.000 2.147 693 E HA -0.223 4.127 4.350 0.000 0.000 0.199 693 E C 1.616 178.274 176.600 0.097 0.000 1.005 693 E CA 2.068 58.512 56.400 0.075 0.000 0.810 693 E CB -0.668 29.056 29.700 0.041 0.000 0.736 693 E HN 0.800 nan 8.360 nan 0.000 0.460 694 N N -1.303 117.457 118.700 0.101 0.000 2.520 694 N HA -0.086 4.654 4.740 0.000 0.000 0.185 694 N C 0.573 176.062 175.510 -0.036 0.000 1.068 694 N CA 0.287 53.344 53.050 0.011 0.000 0.911 694 N CB -0.126 38.320 38.487 -0.069 0.000 0.961 694 N HN 0.160 nan 8.380 nan 0.000 0.446 695 F N 1.305 121.205 119.950 -0.083 0.000 2.802 695 F HA 0.068 4.595 4.527 0.000 0.000 0.300 695 F C 1.783 177.580 175.800 -0.005 0.000 1.168 695 F CA 0.552 58.499 58.000 -0.089 0.000 1.433 695 F CB 0.063 38.960 39.000 -0.172 0.000 1.115 695 F HN -0.103 nan 8.300 nan 0.000 0.582 696 K N -0.332 120.156 120.400 0.146 0.000 2.362 696 K HA -0.102 4.218 4.320 0.000 0.000 0.200 696 K C 1.468 178.119 176.600 0.085 0.000 1.046 696 K CA 0.646 57.004 56.287 0.117 0.000 0.952 696 K CB -0.026 32.526 32.500 0.086 0.000 0.753 696 K HN 0.205 nan 8.250 nan 0.000 0.466 697 Q N 0.196 120.025 119.800 0.049 0.000 2.360 697 Q HA 0.051 4.391 4.340 0.000 0.000 0.202 697 Q C 0.574 176.603 176.000 0.048 0.000 0.915 697 Q CA 0.251 56.075 55.803 0.036 0.000 0.943 697 Q CB 0.549 29.291 28.738 0.007 0.000 1.064 697 Q HN 0.197 nan 8.270 nan 0.000 0.511 698 V N -3.524 116.432 119.914 0.069 0.000 3.182 698 V HA 0.539 4.659 4.120 0.000 0.000 0.308 698 V C -0.986 175.231 176.094 0.206 0.000 1.240 698 V CA -1.270 61.096 62.300 0.110 0.000 1.063 698 V CB 2.413 34.269 31.823 0.053 0.000 1.076 698 V HN -0.063 nan 8.190 nan 0.000 0.446 699 E N 1.174 121.530 120.200 0.261 0.000 2.109 699 E HA 0.449 4.799 4.350 0.000 0.000 0.278 699 E C -1.938 175.005 176.600 0.572 0.000 0.954 699 E CA -0.368 56.262 56.400 0.383 0.000 0.779 699 E CB 1.773 31.653 29.700 0.300 0.000 1.093 699 E HN 0.664 nan 8.360 nan 0.000 0.401 700 Y N 3.474 124.005 120.300 0.385 0.000 2.393 700 Y HA 0.432 4.982 4.550 0.000 0.000 0.341 700 Y C -1.389 174.584 175.900 0.122 0.000 0.988 700 Y CA -1.179 57.099 58.100 0.296 0.000 1.078 700 Y CB 0.997 39.670 38.460 0.356 0.000 1.203 700 Y HN 0.420 nan 8.280 nan 0.000 0.453 701 L N 7.950 128.923 121.223 -0.418 0.000 2.343 701 L HA 0.483 4.823 4.340 0.000 0.000 0.278 701 L C -1.737 174.702 176.870 -0.719 0.000 0.996 701 L CA -0.762 53.688 54.840 -0.650 0.000 0.831 701 L CB 1.184 42.569 42.059 -1.123 0.000 1.232 701 L HN 0.658 nan 8.230 nan 0.000 0.413 702 L N 6.480 127.374 121.223 -0.549 0.000 2.287 702 L HA 0.588 4.928 4.340 0.000 0.000 0.287 702 L C -0.848 175.904 176.870 -0.196 0.000 1.022 702 L CA -0.467 54.091 54.840 -0.470 0.000 0.814 702 L CB 1.571 43.416 42.059 -0.357 0.000 1.217 702 L HN 0.596 nan 8.230 nan 0.000 0.420 703 I N 3.803 124.269 120.570 -0.174 0.000 2.647 703 I HA 0.507 4.677 4.170 0.000 0.000 0.295 703 I C -0.960 175.160 176.117 0.004 0.000 1.078 703 I CA -0.794 60.463 61.300 -0.071 0.000 1.048 703 I CB 2.186 40.106 38.000 -0.134 0.000 1.239 703 I HN 0.525 nan 8.210 nan 0.000 0.421 704 H N 2.532 121.664 119.070 0.102 0.000 3.112 704 H HA 0.374 4.930 4.556 0.000 0.000 0.347 704 H C -0.902 174.665 175.328 0.399 0.000 1.188 704 H CA -0.536 55.628 56.048 0.193 0.000 1.240 704 H CB 2.477 32.314 29.762 0.125 0.000 1.920 704 H HN 0.779 nan 8.280 nan 0.000 0.535 705 G N 0.954 110.117 108.800 0.605 0.000 2.390 705 G HA2 0.252 4.213 3.960 0.000 0.000 0.270 705 G HA3 0.252 4.213 3.960 0.000 0.000 0.270 705 G C 1.112 176.266 174.900 0.423 0.000 1.211 705 G CA 0.198 45.584 45.100 0.475 0.000 0.842 705 G HN 0.642 nan 8.290 nan 0.000 0.519 706 T N -0.726 113.910 114.554 0.137 0.000 3.035 706 T HA 0.092 4.443 4.350 0.000 0.000 0.268 706 T C 1.627 176.287 174.700 -0.066 0.000 1.109 706 T CA 1.239 63.227 62.100 -0.187 0.000 1.119 706 T CB 0.169 68.854 68.868 -0.304 0.000 0.900 706 T HN 0.693 nan 8.240 nan 0.000 0.503 707 A N 1.056 123.920 122.820 0.072 0.000 2.708 707 A HA 0.326 4.646 4.320 0.000 0.000 0.293 707 A C 0.295 177.838 177.584 -0.067 0.000 1.303 707 A CA -0.539 51.509 52.037 0.019 0.000 0.949 707 A CB -0.274 18.999 19.000 0.455 0.000 1.121 707 A HN 0.370 nan 8.150 nan 0.000 0.542 708 D N 1.471 121.854 120.400 -0.029 0.000 2.338 708 D HA 0.011 4.651 4.640 0.000 0.000 0.255 708 D C 0.352 176.625 176.300 -0.045 0.000 1.237 708 D CA 0.064 54.152 54.000 0.147 0.000 0.883 708 D CB 0.746 41.807 40.800 0.436 0.000 1.087 708 D HN 0.566 nan 8.370 nan 0.000 0.485 709 D N 2.408 122.826 120.400 0.030 0.000 2.347 709 D HA -0.138 4.502 4.640 0.000 0.000 0.213 709 D C 0.946 177.203 176.300 -0.071 0.000 0.985 709 D CA -0.052 53.922 54.000 -0.043 0.000 0.879 709 D CB 0.442 41.151 40.800 -0.151 0.000 0.919 709 D HN 0.226 nan 8.370 nan 0.000 0.526 710 N N 0.915 119.667 118.700 0.086 0.000 2.335 710 N HA -0.058 4.683 4.740 0.000 0.000 0.197 710 N C -0.032 175.423 175.510 -0.091 0.000 1.045 710 N CA 0.560 53.688 53.050 0.130 0.000 0.928 710 N CB 0.347 38.885 38.487 0.084 0.000 1.118 710 N HN -0.099 nan 8.380 nan 0.000 0.471 711 V N 3.010 122.885 119.914 -0.065 0.000 2.288 711 V HA 0.210 4.330 4.120 0.000 0.000 0.266 711 V C -0.573 175.602 176.094 0.136 0.000 1.048 711 V CA -0.473 61.841 62.300 0.023 0.000 0.842 711 V CB -0.413 31.466 31.823 0.093 0.000 1.064 711 V HN 0.301 nan 8.190 nan 0.000 0.472 712 H N 3.318 122.392 119.070 0.007 0.000 3.038 712 H HA -0.070 4.486 4.556 0.000 0.000 0.338 712 H C 0.855 176.047 175.328 -0.225 0.000 1.041 712 H CA 0.087 56.054 56.048 -0.134 0.000 1.394 712 H CB 0.658 30.259 29.762 -0.269 0.000 1.357 712 H HN 0.638 nan 8.280 nan 0.000 0.600 713 F N 2.358 122.098 119.950 -0.350 0.000 2.236 713 F HA -0.307 4.220 4.527 0.000 0.000 0.302 713 F C 2.555 178.066 175.800 -0.482 0.000 1.073 713 F CA 1.805 59.365 58.000 -0.734 0.000 1.336 713 F CB -0.206 38.565 39.000 -0.382 0.000 1.040 713 F HN 0.676 nan 8.300 nan 0.000 0.507 714 Q N 0.193 119.848 119.800 -0.243 0.000 2.173 714 Q HA -0.306 4.034 4.340 0.000 0.000 0.208 714 Q C 2.025 177.782 176.000 -0.406 0.000 0.989 714 Q CA 2.201 57.813 55.803 -0.319 0.000 0.872 714 Q CB -0.413 28.116 28.738 -0.348 0.000 0.909 714 Q HN 0.594 nan 8.270 nan 0.000 0.420 715 Q N -0.275 119.338 119.800 -0.312 0.000 2.096 715 Q HA -0.112 4.228 4.340 0.000 0.000 0.204 715 Q C 2.187 178.081 176.000 -0.177 0.000 0.982 715 Q CA 1.683 57.416 55.803 -0.117 0.000 0.850 715 Q CB -0.027 28.727 28.738 0.028 0.000 0.901 715 Q HN 0.338 nan 8.270 nan 0.000 0.422 716 S N 0.308 115.785 115.700 -0.371 0.000 2.446 716 S HA 0.051 4.521 4.470 0.000 0.000 0.225 716 S C 1.933 176.267 174.600 -0.443 0.000 1.016 716 S CA 0.587 58.569 58.200 -0.364 0.000 0.943 716 S CB 0.061 63.038 63.200 -0.372 0.000 0.786 716 S HN 0.441 nan 8.310 nan 0.000 0.508 717 A N 1.240 123.712 122.820 -0.581 0.000 1.969 717 A HA -0.083 4.237 4.320 0.000 0.000 0.218 717 A C 2.088 179.554 177.584 -0.196 0.000 1.169 717 A CA 0.993 52.812 52.037 -0.363 0.000 0.635 717 A CB -0.324 18.508 19.000 -0.280 0.000 0.810 717 A HN 0.335 nan 8.150 nan 0.000 0.445 718 Q N -0.457 119.238 119.800 -0.176 0.000 2.245 718 Q HA 0.031 4.371 4.340 0.000 0.000 0.201 718 Q C 2.029 177.965 176.000 -0.107 0.000 0.955 718 Q CA 0.886 56.641 55.803 -0.080 0.000 0.870 718 Q CB -0.243 28.526 28.738 0.051 0.000 0.945 718 Q HN 0.782 nan 8.270 nan 0.000 0.461 719 I N 0.927 121.402 120.570 -0.158 0.000 2.286 719 I HA -0.234 3.937 4.170 0.000 0.000 0.245 719 I C 2.423 178.355 176.117 -0.310 0.000 1.104 719 I CA 1.310 62.471 61.300 -0.231 0.000 1.397 719 I CB -0.318 37.548 38.000 -0.224 0.000 1.072 719 I HN 0.152 nan 8.210 nan 0.000 0.417 720 S N 0.757 116.301 115.700 -0.261 0.000 2.402 720 S HA -0.238 4.232 4.470 0.000 0.000 0.229 720 S C 1.997 176.558 174.600 -0.066 0.000 1.021 720 S CA 1.183 59.256 58.200 -0.211 0.000 0.974 720 S CB -0.370 62.877 63.200 0.078 0.000 0.800 720 S HN 0.367 nan 8.310 nan 0.000 0.484 721 K N 1.651 122.012 120.400 -0.064 0.000 2.097 721 K HA 0.140 4.460 4.320 0.000 0.000 0.205 721 K C 2.217 178.788 176.600 -0.048 0.000 1.050 721 K CA 0.978 57.248 56.287 -0.028 0.000 0.938 721 K CB -0.570 31.912 32.500 -0.030 0.000 0.718 721 K HN 0.430 nan 8.250 nan 0.000 0.442 722 A N 0.927 123.686 122.820 -0.102 0.000 1.929 722 A HA -0.053 4.267 4.320 0.000 0.000 0.216 722 A C 2.032 179.539 177.584 -0.127 0.000 1.176 722 A CA 1.013 52.984 52.037 -0.111 0.000 0.628 722 A CB -0.476 18.436 19.000 -0.146 0.000 0.816 722 A HN 0.291 nan 8.150 nan 0.000 0.444 723 L N -0.636 120.466 121.223 -0.201 0.000 2.056 723 L HA -0.136 4.204 4.340 0.000 0.000 0.207 723 L C 2.521 179.400 176.870 0.016 0.000 1.078 723 L CA 0.970 55.704 54.840 -0.176 0.000 0.749 723 L CB -0.603 41.211 42.059 -0.409 0.000 0.901 723 L HN 0.229 nan 8.230 nan 0.000 0.433 724 V N -0.066 119.892 119.914 0.073 0.000 2.332 724 V HA -0.304 3.816 4.120 0.000 0.000 0.248 724 V C 2.006 178.131 176.094 0.052 0.000 1.055 724 V CA 1.942 64.307 62.300 0.107 0.000 1.038 724 V CB -0.546 31.340 31.823 0.104 0.000 0.651 724 V HN 0.438 nan 8.190 nan 0.000 0.450 725 D N -0.260 120.152 120.400 0.020 0.000 2.263 725 D HA -0.091 4.549 4.640 0.000 0.000 0.208 725 D C 1.710 178.018 176.300 0.013 0.000 0.971 725 D CA 0.960 54.967 54.000 0.011 0.000 0.867 725 D CB 0.028 40.826 40.800 -0.003 0.000 0.929 725 D HN 0.387 nan 8.370 nan 0.000 0.492 726 V N -0.706 119.217 119.914 0.014 0.000 3.621 726 V HA 0.247 4.367 4.120 0.000 0.000 0.285 726 V C 1.307 177.426 176.094 0.041 0.000 1.346 726 V CA 0.502 62.814 62.300 0.021 0.000 1.104 726 V CB 0.186 32.014 31.823 0.009 0.000 0.913 726 V HN 0.288 nan 8.190 nan 0.000 0.432 727 G N 1.218 110.050 108.800 0.054 0.000 2.256 727 G HA2 -0.202 3.759 3.960 0.000 0.000 0.272 727 G HA3 -0.202 3.759 3.960 0.000 0.000 0.272 727 G C -0.047 174.911 174.900 0.096 0.000 1.076 727 G CA 0.285 45.426 45.100 0.070 0.000 0.882 727 G HN 0.418 nan 8.290 nan 0.000 0.497 728 V N 0.531 120.522 119.914 0.129 0.000 2.370 728 V HA 0.459 4.579 4.120 0.000 0.000 0.279 728 V C 0.394 176.665 176.094 0.296 0.000 1.029 728 V CA -0.562 61.846 62.300 0.181 0.000 0.870 728 V CB 1.703 33.617 31.823 0.151 0.000 0.984 728 V HN 0.458 nan 8.190 nan 0.000 0.451 729 D N 4.164 124.712 120.400 0.246 0.000 2.304 729 D HA 0.610 5.250 4.640 0.000 0.000 0.247 729 D C -0.565 175.959 176.300 0.372 0.000 1.089 729 D CA 0.150 54.282 54.000 0.219 0.000 0.910 729 D CB 0.868 41.734 40.800 0.110 0.000 1.199 729 D HN 0.358 nan 8.370 nan 0.000 0.426 730 F N -0.327 119.695 119.950 0.121 0.000 2.779 730 F HA 0.473 5.000 4.527 0.000 0.000 0.316 730 F C -1.555 174.297 175.800 0.087 0.000 1.164 730 F CA -1.140 56.955 58.000 0.158 0.000 0.924 730 F CB 0.703 39.838 39.000 0.226 0.000 1.348 730 F HN 0.069 nan 8.300 nan 0.000 0.467 731 Q N 1.360 121.230 119.800 0.117 0.000 2.235 731 Q HA 0.821 5.161 4.340 0.000 0.000 0.256 731 Q C -0.836 175.154 176.000 -0.017 0.000 0.951 731 Q CA -0.710 55.065 55.803 -0.046 0.000 0.890 731 Q CB 1.998 30.727 28.738 -0.015 0.000 1.279 731 Q HN 1.050 nan 8.270 nan 0.000 0.444 732 A N 1.804 124.579 122.820 -0.075 0.000 2.539 732 A HA 0.859 5.179 4.320 0.000 0.000 0.296 732 A C -1.321 176.197 177.584 -0.111 0.000 1.073 732 A CA -0.571 51.458 52.037 -0.013 0.000 0.700 732 A CB 1.907 20.965 19.000 0.096 0.000 1.296 732 A HN 0.602 nan 8.150 nan 0.000 0.405 733 M N 1.597 121.119 119.600 -0.130 0.000 2.274 733 M HA 0.566 5.046 4.480 0.000 0.000 0.272 733 M C -2.034 174.124 176.300 -0.237 0.000 1.053 733 M CA -0.641 54.432 55.300 -0.378 0.000 0.978 733 M CB 1.128 33.396 32.600 -0.554 0.000 1.836 733 M HN 0.954 nan 8.290 nan 0.000 0.484 734 W N 4.538 125.653 121.300 -0.309 0.000 2.578 734 W HA 0.794 5.454 4.660 0.000 0.000 0.346 734 W C -2.092 174.122 176.519 -0.508 0.000 1.075 734 W CA -0.892 56.347 57.345 -0.176 0.000 1.233 734 W CB 0.482 29.888 29.460 -0.090 0.000 1.358 734 W HN 0.609 nan 8.180 nan 0.000 0.574 735 Y N 2.593 123.006 120.300 0.187 0.000 2.376 735 Y HA 0.303 4.853 4.550 0.000 0.000 0.326 735 Y C 0.819 176.813 175.900 0.157 0.000 0.970 735 Y CA -1.105 57.026 58.100 0.052 0.000 1.248 735 Y CB 1.436 39.908 38.460 0.021 0.000 1.117 735 Y HN 0.647 nan 8.280 nan 0.000 0.476 736 T N 0.846 115.545 114.554 0.242 0.000 2.916 736 T HA 0.108 4.458 4.350 0.000 0.000 0.303 736 T C 0.435 175.196 174.700 0.101 0.000 1.025 736 T CA 0.149 62.327 62.100 0.130 0.000 1.142 736 T CB 0.266 69.124 68.868 -0.016 0.000 0.947 736 T HN 0.768 nan 8.240 nan 0.000 0.544 737 D N 0.766 121.213 120.400 0.079 0.000 3.077 737 D HA -0.114 4.527 4.640 0.000 0.000 0.217 737 D C -0.069 176.379 176.300 0.248 0.000 1.162 737 D CA 1.149 55.171 54.000 0.037 0.000 0.943 737 D CB -0.674 39.939 40.800 -0.311 0.000 1.122 737 D HN 0.709 nan 8.370 nan 0.000 0.413 738 E N 0.660 121.010 120.200 0.250 0.000 2.242 738 E HA 0.377 4.727 4.350 0.000 0.000 0.275 738 E C 0.696 177.477 176.600 0.301 0.000 1.002 738 E CA -0.382 56.180 56.400 0.271 0.000 0.841 738 E CB 1.382 31.232 29.700 0.249 0.000 1.109 738 E HN 0.318 nan 8.360 nan 0.000 0.394 739 D N -0.590 119.997 120.400 0.312 0.000 2.541 739 D HA 0.008 4.648 4.640 0.000 0.000 0.276 739 D C 1.077 177.601 176.300 0.374 0.000 1.190 739 D CA -0.160 54.044 54.000 0.340 0.000 1.095 739 D CB -0.167 40.854 40.800 0.368 0.000 1.173 739 D HN 0.404 nan 8.370 nan 0.000 0.604 740 H N -1.649 117.599 119.070 0.296 0.000 2.489 740 H HA 0.102 4.658 4.556 0.000 0.000 0.293 740 H C 1.881 177.457 175.328 0.414 0.000 1.066 740 H CA 2.067 58.314 56.048 0.332 0.000 1.305 740 H CB -0.345 29.597 29.762 0.299 0.000 1.386 740 H HN 0.482 nan 8.280 nan 0.000 0.551 741 G N -0.478 108.494 108.800 0.287 0.000 2.683 741 G HA2 0.020 3.980 3.960 0.000 0.000 0.213 741 G HA3 0.020 3.980 3.960 0.000 0.000 0.213 741 G C 0.656 175.724 174.900 0.279 0.000 1.142 741 G CA 0.257 45.451 45.100 0.157 0.000 0.793 741 G HN 0.498 nan 8.290 nan 0.000 0.534 742 I N 0.127 120.885 120.570 0.313 0.000 6.313 742 I HA -0.322 3.848 4.170 0.000 0.000 0.126 742 I C 1.491 177.731 176.117 0.205 0.000 1.598 742 I CA 0.169 61.611 61.300 0.236 0.000 2.457 742 I CB -1.031 37.105 38.000 0.227 0.000 3.027 742 I HN 0.260 nan 8.210 nan 0.000 0.280 743 A N 1.124 124.038 122.820 0.157 0.000 2.430 743 A HA 0.329 4.649 4.320 0.000 0.000 0.243 743 A C 1.111 178.743 177.584 0.080 0.000 1.254 743 A CA 0.497 52.590 52.037 0.092 0.000 0.914 743 A CB 0.114 19.133 19.000 0.031 0.000 0.998 743 A HN 0.606 nan 8.150 nan 0.000 0.515 744 S N -0.508 115.257 115.700 0.108 0.000 2.572 744 S HA 0.188 4.658 4.470 0.000 0.000 0.279 744 S C 1.219 175.879 174.600 0.099 0.000 1.341 744 S CA 0.332 58.591 58.200 0.099 0.000 1.043 744 S CB 1.183 64.448 63.200 0.109 0.000 0.887 744 S HN 0.448 nan 8.310 nan 0.000 0.516 745 S N 2.300 118.047 115.700 0.078 0.000 2.369 745 S HA -0.210 4.260 4.470 0.000 0.000 0.225 745 S C 2.109 176.770 174.600 0.102 0.000 1.043 745 S CA 2.435 60.684 58.200 0.081 0.000 1.074 745 S CB -1.585 61.646 63.200 0.050 0.000 0.962 745 S HN 1.045 nan 8.310 nan 0.000 0.433 746 T N 0.002 114.605 114.554 0.081 0.000 2.821 746 T HA 0.158 4.508 4.350 0.000 0.000 0.267 746 T C 1.980 176.734 174.700 0.091 0.000 1.046 746 T CA 1.340 63.488 62.100 0.080 0.000 1.139 746 T CB -0.917 67.992 68.868 0.067 0.000 0.871 746 T HN 0.480 nan 8.240 nan 0.000 0.454 747 A N 1.632 124.490 122.820 0.064 0.000 1.898 747 A HA -0.104 4.216 4.320 0.000 0.000 0.216 747 A C 2.204 179.738 177.584 -0.083 0.000 1.181 747 A CA 2.025 54.036 52.037 -0.042 0.000 0.620 747 A CB -1.250 17.698 19.000 -0.086 0.000 0.819 747 A HN 0.733 nan 8.150 nan 0.000 0.442 748 H N -0.093 118.954 119.070 -0.038 0.000 2.319 748 H HA -0.170 4.387 4.556 0.000 0.000 0.297 748 H C 2.074 177.457 175.328 0.092 0.000 1.097 748 H CA 2.433 58.507 56.048 0.043 0.000 1.285 748 H CB -0.282 29.514 29.762 0.056 0.000 1.368 748 H HN 0.584 nan 8.280 nan 0.000 0.495 749 Q N -1.095 118.667 119.800 -0.064 0.000 2.079 749 Q HA -0.174 4.166 4.340 0.000 0.000 0.200 749 Q C 2.267 178.238 176.000 -0.049 0.000 0.974 749 Q CA 1.300 57.036 55.803 -0.112 0.000 0.840 749 Q CB -0.184 28.537 28.738 -0.029 0.000 0.898 749 Q HN 0.632 nan 8.270 nan 0.000 0.430 750 H N 0.714 119.747 119.070 -0.061 0.000 2.293 750 H HA -0.108 4.448 4.556 0.000 0.000 0.300 750 H C 2.098 177.424 175.328 -0.005 0.000 1.082 750 H CA 1.540 57.593 56.048 0.009 0.000 1.308 750 H CB -0.093 29.733 29.762 0.108 0.000 1.375 750 H HN 0.287 nan 8.280 nan 0.000 0.495 751 I N 0.188 120.732 120.570 -0.044 0.000 2.226 751 I HA -0.339 3.831 4.170 0.000 0.000 0.245 751 I C 1.837 177.738 176.117 -0.360 0.000 1.100 751 I CA 1.374 62.563 61.300 -0.184 0.000 1.374 751 I CB -0.274 37.415 38.000 -0.519 0.000 1.057 751 I HN 0.151 nan 8.210 nan 0.000 0.413 752 Y N 0.923 121.025 120.300 -0.331 0.000 2.314 752 Y HA -0.187 4.363 4.550 0.000 0.000 0.293 752 Y C 2.724 178.432 175.900 -0.320 0.000 1.129 752 Y CA 1.816 59.611 58.100 -0.509 0.000 1.201 752 Y CB -0.856 37.294 38.460 -0.517 0.000 0.999 752 Y HN 0.153 nan 8.280 nan 0.000 0.541 753 T N -1.649 112.838 114.554 -0.112 0.000 2.777 753 T HA -0.232 4.118 4.350 0.000 0.000 0.266 753 T C 1.576 176.163 174.700 -0.189 0.000 1.040 753 T CA 1.889 63.880 62.100 -0.181 0.000 1.141 753 T CB -0.446 68.315 68.868 -0.178 0.000 0.868 753 T HN 0.419 nan 8.240 nan 0.000 0.444 754 H N 0.721 119.687 119.070 -0.173 0.000 2.353 754 H HA 0.115 4.671 4.556 0.000 0.000 0.300 754 H C 2.156 177.485 175.328 0.001 0.000 1.090 754 H CA 1.504 57.528 56.048 -0.041 0.000 1.327 754 H CB -0.197 29.535 29.762 -0.050 0.000 1.383 754 H HN 0.260 nan 8.280 nan 0.000 0.508 755 M N -0.953 118.615 119.600 -0.053 0.000 2.175 755 M HA -0.137 4.343 4.480 0.000 0.000 0.264 755 M C 2.393 178.815 176.300 0.203 0.000 1.063 755 M CA 1.309 56.584 55.300 -0.042 0.000 1.119 755 M CB 0.085 32.428 32.600 -0.429 0.000 1.377 755 M HN 0.193 nan 8.290 nan 0.000 0.415 756 S N -0.566 115.265 115.700 0.219 0.000 2.356 756 S HA -0.150 4.321 4.470 0.000 0.000 0.223 756 S C 1.703 176.384 174.600 0.134 0.000 1.032 756 S CA 1.012 59.415 58.200 0.337 0.000 1.005 756 S CB -0.567 62.834 63.200 0.334 0.000 0.867 756 S HN 0.460 nan 8.310 nan 0.000 0.449 757 H N -0.095 119.036 119.070 0.101 0.000 2.352 757 H HA -0.065 4.491 4.556 0.000 0.000 0.299 757 H C 1.977 177.308 175.328 0.005 0.000 1.097 757 H CA 1.353 57.414 56.048 0.021 0.000 1.311 757 H CB -0.736 28.989 29.762 -0.061 0.000 1.377 757 H HN 0.438 nan 8.280 nan 0.000 0.504 758 F N 1.253 121.197 119.950 -0.009 0.000 2.102 758 F HA -0.178 4.349 4.527 0.000 0.000 0.298 758 F C 2.273 178.032 175.800 -0.068 0.000 1.105 758 F CA 0.829 58.793 58.000 -0.059 0.000 1.239 758 F CB -0.287 38.659 39.000 -0.089 0.000 0.991 758 F HN -0.045 nan 8.300 nan 0.000 0.474 759 I N 1.589 122.129 120.570 -0.050 0.000 2.179 759 I HA -0.276 3.894 4.170 0.000 0.000 0.242 759 I C 2.335 178.232 176.117 -0.367 0.000 1.088 759 I CA 1.627 62.742 61.300 -0.308 0.000 1.357 759 I CB -1.441 36.471 38.000 -0.147 0.000 1.051 759 I HN 0.271 nan 8.210 nan 0.000 0.409 760 K N 0.718 121.056 120.400 -0.103 0.000 2.211 760 K HA -0.194 4.126 4.320 0.000 0.000 0.203 760 K C 1.871 178.458 176.600 -0.021 0.000 1.050 760 K CA 0.850 57.137 56.287 -0.000 0.000 0.945 760 K CB -0.469 32.078 32.500 0.078 0.000 0.732 760 K HN 0.362 nan 8.250 nan 0.000 0.451 761 Q N 1.972 121.716 119.800 -0.094 0.000 2.079 761 Q HA -0.165 4.176 4.340 0.000 0.000 0.200 761 Q C 2.166 178.075 176.000 -0.150 0.000 0.974 761 Q CA 1.814 57.556 55.803 -0.102 0.000 0.840 761 Q CB -0.559 28.104 28.738 -0.125 0.000 0.898 761 Q HN 0.436 nan 8.270 nan 0.000 0.430 762 c N 0.213 118.620 118.600 -0.322 0.000 2.440 762 c HA -0.039 4.531 4.570 0.000 0.000 0.278 762 c C 2.159 176.256 174.090 0.011 0.000 1.295 762 c CA 0.301 56.455 56.329 -0.291 0.000 1.738 762 c CB -1.331 40.831 42.510 -0.581 0.000 1.987 762 c HN 0.508 nan 8.230 nan 0.000 0.492 763 F N 1.545 121.446 119.950 -0.081 0.000 2.765 763 F HA 0.330 4.857 4.527 0.000 0.000 0.302 763 F C 1.291 177.071 175.800 -0.033 0.000 1.111 763 F CA -0.058 57.917 58.000 -0.042 0.000 1.359 763 F CB -0.774 38.208 39.000 -0.030 0.000 1.097 763 F HN 0.177 nan 8.300 nan 0.000 0.577 764 S N 0.000 115.782 115.700 0.137 0.000 2.498 764 S HA 0.000 4.470 4.470 0.000 0.000 0.327 764 S CA 0.000 58.244 58.200 0.074 0.000 1.107 764 S CB 0.000 63.235 63.200 0.058 0.000 0.593 764 S HN 0.000 nan 8.310 nan 0.000 0.517