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 2oph_1_B DATA FIRST_RESID 39 DATA SEQUENCE TRKTYTLTDY LKNTYRLKLY SLRWISDHEY LYKQENNILV FNAEYGNSSV DATA SEQUENCE FLENSTFDEF GHSINDYSIS PDGQFILLEY NYVKQWRHSY TASYDIYDLN DATA SEQUENCE KRQLITEERI PNNTQWVTWS PVGHKLAYVW NNDIYVKIEP NLPSYRITWT DATA SEQUENCE GKEDIIYNGI TDWVYEEEVF SAYSALWWSP NGTFLAYAQF NDTEVPLIEY DATA SEQUENCE SFYSDESLQY PKTVRVPYPK AGAVNPTVKF FVVNTDSLSS VTNATSIQIT DATA SEQUENCE APASMLIGDH YLCDVTWATQ ERISLQWLRR IQNYSVMDIc DYDESSGRWN DATA SEQUENCE cLVARQHIEM STTGWVGRFR PSEPHFTLDG NSFYKIISNE EGYRHIcYFQ DATA SEQUENCE IDKKDcTFIT KGTWEVIGIE ALTSDYLYYI SNEYKGMPGG RNLYKIQLSD DATA SEQUENCE YTKVTCLSCE LNPERcQYYS VSFSKEAKYY QLRcSGPGLP LYTLHSSVND DATA SEQUENCE KGLRVLEDNS ALDKMLQNVQ MPSKKLDFII LNETKFWYQM ILPPHFDKSK DATA SEQUENCE KYPLLLDVYA GPCSQKADTV FRLNWATYLA STENIIVASF DGRGSGYQGD DATA SEQUENCE KIMHAINRRL GTFEVEDQIE AARQFSKMGF VDNKRIAIWG WSYGGYVTSM DATA SEQUENCE VLGSGSGVFK cGIAVAPVSR WEYYDSVYTE RYMGLPTPED NLDHYRNSTV DATA SEQUENCE MSRAENFKQV EYLLIHGTAD DNVHFQQSAQ ISKALVDVGV DFQAMWYTDE DATA SEQUENCE DHGIASSTAH QHIYTHMSHF IKQcFSLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 39 T HA 0.000 nan 4.350 nan 0.000 0.228 39 T C 0.000 174.740 174.700 0.066 0.000 1.109 39 T CA 0.000 62.133 62.100 0.056 0.000 1.349 39 T CB 0.000 68.901 68.868 0.054 0.000 0.612 40 R N 2.406 122.951 120.500 0.074 0.000 2.638 40 R HA 0.158 4.495 4.340 -0.004 0.000 0.268 40 R C 1.025 177.374 176.300 0.082 0.000 1.006 40 R CA -0.074 56.071 56.100 0.075 0.000 1.088 40 R CB 0.612 30.956 30.300 0.073 0.000 0.950 40 R HN 0.612 nan 8.270 nan 0.000 0.419 41 K N 0.609 121.062 120.400 0.089 0.000 2.230 41 K HA 0.111 4.429 4.320 -0.004 0.000 0.253 41 K C 0.071 176.735 176.600 0.107 0.000 1.008 41 K CA -0.431 55.916 56.287 0.100 0.000 0.910 41 K CB 0.519 33.089 32.500 0.117 0.000 0.994 41 K HN 0.627 nan 8.250 nan 0.000 0.495 42 T N -2.090 112.535 114.554 0.118 0.000 2.910 42 T HA 0.156 4.503 4.350 -0.004 0.000 0.279 42 T C -0.755 174.067 174.700 0.204 0.000 0.989 42 T CA -0.780 61.398 62.100 0.131 0.000 0.968 42 T CB 0.461 69.394 68.868 0.110 0.000 1.135 42 T HN 0.550 nan 8.240 nan 0.000 0.562 43 Y N 2.431 122.794 120.300 0.104 0.000 2.556 43 Y HA 0.389 4.936 4.550 -0.004 0.000 0.352 43 Y C 0.922 176.984 175.900 0.271 0.000 1.006 43 Y CA -0.517 57.692 58.100 0.181 0.000 1.277 43 Y CB -0.272 38.252 38.460 0.106 0.000 1.136 43 Y HN 1.006 nan 8.280 nan 0.000 0.523 44 T N 2.024 116.587 114.554 0.014 0.000 2.824 44 T HA 0.114 4.462 4.350 -0.004 0.000 0.277 44 T C 1.005 175.657 174.700 -0.080 0.000 0.975 44 T CA -0.673 61.507 62.100 0.133 0.000 0.966 44 T CB 1.139 70.034 68.868 0.046 0.000 1.054 44 T HN 0.668 nan 8.240 nan 0.000 0.533 45 L N 0.893 121.908 121.223 -0.346 0.000 2.046 45 L HA 0.033 4.371 4.340 -0.004 0.000 0.208 45 L C 2.666 179.386 176.870 -0.251 0.000 1.077 45 L CA 2.114 56.563 54.840 -0.651 0.000 0.747 45 L CB -1.455 40.077 42.059 -0.879 0.000 0.896 45 L HN 0.959 nan 8.230 nan 0.000 0.432 46 T N -0.616 113.824 114.554 -0.190 0.000 2.788 46 T HA -0.164 4.184 4.350 -0.004 0.000 0.268 46 T C 1.496 176.101 174.700 -0.157 0.000 1.044 46 T CA 1.430 63.446 62.100 -0.140 0.000 1.139 46 T CB -0.385 68.423 68.868 -0.100 0.000 0.867 46 T HN 0.387 nan 8.240 nan 0.000 0.454 47 D N 0.110 120.378 120.400 -0.220 0.000 2.117 47 D HA -0.089 4.549 4.640 -0.004 0.000 0.197 47 D C 1.743 177.941 176.300 -0.170 0.000 0.987 47 D CA 1.013 54.840 54.000 -0.288 0.000 0.829 47 D CB -0.351 40.160 40.800 -0.482 0.000 0.961 47 D HN 0.417 nan 8.370 nan 0.000 0.460 48 Y N 1.533 121.661 120.300 -0.286 0.000 2.133 48 Y HA -0.095 4.453 4.550 -0.003 0.000 0.287 48 Y C 2.173 178.083 175.900 0.015 0.000 1.134 48 Y CA 1.232 59.337 58.100 0.009 0.000 1.133 48 Y CB -0.602 37.917 38.460 0.099 0.000 0.987 48 Y HN -0.101 nan 8.280 nan 0.000 0.502 49 L N -0.061 121.005 121.223 -0.263 0.000 2.201 49 L HA -0.148 4.190 4.340 -0.004 0.000 0.212 49 L C 1.865 178.637 176.870 -0.163 0.000 1.105 49 L CA 1.193 55.859 54.840 -0.290 0.000 0.775 49 L CB -0.450 41.496 42.059 -0.188 0.000 0.913 49 L HN 0.077 nan 8.230 nan 0.000 0.440 50 K N -0.202 120.121 120.400 -0.129 0.000 2.374 50 K HA 0.122 4.440 4.320 -0.004 0.000 0.196 50 K C 0.097 176.646 176.600 -0.084 0.000 1.023 50 K CA -0.051 56.178 56.287 -0.097 0.000 1.103 50 K CB 0.015 32.458 32.500 -0.096 0.000 0.848 50 K HN 0.240 nan 8.250 nan 0.000 0.528 51 N N 1.512 120.172 118.700 -0.067 0.000 2.738 51 N HA -0.170 4.568 4.740 -0.004 0.000 0.249 51 N C 0.886 176.371 175.510 -0.041 0.000 1.047 51 N CA 1.166 54.211 53.050 -0.007 0.000 0.707 51 N CB -1.847 36.632 38.487 -0.013 0.000 0.937 51 N HN 0.447 nan 8.380 nan 0.000 0.545 52 T N -3.701 110.771 114.554 -0.137 0.000 2.812 52 T HA -0.148 4.200 4.350 -0.004 0.000 0.264 52 T C 0.699 175.218 174.700 -0.300 0.000 1.042 52 T CA 0.956 62.878 62.100 -0.298 0.000 1.140 52 T CB -0.179 68.373 68.868 -0.527 0.000 0.870 52 T HN 0.300 nan 8.240 nan 0.000 0.445 53 Y N 2.410 122.798 120.300 0.146 0.000 2.676 53 Y HA 0.550 5.098 4.550 -0.003 0.000 0.338 53 Y C 0.633 176.635 175.900 0.170 0.000 1.057 53 Y CA -1.478 56.731 58.100 0.181 0.000 1.314 53 Y CB 0.132 38.760 38.460 0.281 0.000 1.164 53 Y HN 0.127 nan 8.280 nan 0.000 0.509 54 R N 2.664 123.295 120.500 0.218 0.000 2.297 54 R HA 0.408 4.746 4.340 -0.004 0.000 0.308 54 R C -1.032 175.371 176.300 0.171 0.000 1.029 54 R CA -0.901 55.298 56.100 0.164 0.000 0.929 54 R CB 0.563 30.919 30.300 0.093 0.000 1.046 54 R HN 0.527 nan 8.270 nan 0.000 0.461 55 L N 4.517 125.843 121.223 0.172 0.000 2.319 55 L HA 0.250 4.588 4.340 -0.004 0.000 0.280 55 L C -0.481 176.470 176.870 0.135 0.000 1.099 55 L CA 0.484 55.429 54.840 0.177 0.000 0.828 55 L CB 0.819 42.997 42.059 0.198 0.000 1.150 55 L HN 0.564 nan 8.230 nan 0.000 0.442 56 K N 5.107 125.587 120.400 0.133 0.000 2.110 56 K HA 0.715 5.033 4.320 -0.004 0.000 0.263 56 K C -1.053 175.596 176.600 0.082 0.000 0.975 56 K CA -0.697 55.643 56.287 0.087 0.000 0.895 56 K CB 1.510 34.056 32.500 0.077 0.000 1.060 56 K HN 0.445 nan 8.250 nan 0.000 0.448 57 L N -1.038 120.147 121.223 -0.063 0.000 2.322 57 L HA 0.554 4.892 4.340 -0.004 0.000 0.252 57 L C -1.178 175.385 176.870 -0.511 0.000 1.055 57 L CA -1.070 53.543 54.840 -0.378 0.000 0.849 57 L CB 0.491 42.495 42.059 -0.090 0.000 1.446 57 L HN 0.483 nan 8.230 nan 0.000 0.416 58 Y N 0.083 119.743 120.300 -1.067 0.000 2.594 58 Y HA 0.663 5.211 4.550 -0.003 0.000 0.338 58 Y C -0.773 174.950 175.900 -0.295 0.000 1.019 58 Y CA -0.409 57.358 58.100 -0.554 0.000 1.306 58 Y CB 1.402 39.443 38.460 -0.698 0.000 1.094 58 Y HN 0.661 nan 8.280 nan 0.000 0.534 59 S N 6.594 122.244 115.700 -0.084 0.000 2.422 59 S HA 0.588 5.055 4.470 -0.004 0.000 0.298 59 S C -0.796 173.807 174.600 0.004 0.000 1.118 59 S CA -0.597 57.591 58.200 -0.021 0.000 1.083 59 S CB 0.065 63.246 63.200 -0.032 0.000 0.971 59 S HN 0.578 nan 8.310 nan 0.000 0.478 60 L N 1.385 122.565 121.223 -0.071 0.000 2.301 60 L HA 0.802 5.140 4.340 -0.004 0.000 0.264 60 L C -0.448 176.318 176.870 -0.174 0.000 1.016 60 L CA -1.009 53.736 54.840 -0.158 0.000 0.821 60 L CB 1.014 42.670 42.059 -0.672 0.000 1.346 60 L HN 0.362 nan 8.230 nan 0.000 0.429 61 R N 0.717 121.154 120.500 -0.104 0.000 2.451 61 R HA 0.406 4.744 4.340 -0.004 0.000 0.307 61 R C -1.722 174.575 176.300 -0.005 0.000 0.965 61 R CA -0.297 55.788 56.100 -0.025 0.000 0.865 61 R CB 1.228 31.564 30.300 0.061 0.000 1.174 61 R HN 0.664 nan 8.270 nan 0.000 0.455 62 W N 4.293 125.685 121.300 0.153 0.000 2.253 62 W HA 0.143 4.801 4.660 -0.003 0.000 0.322 62 W C 1.477 178.072 176.519 0.126 0.000 1.342 62 W CA -0.378 57.069 57.345 0.170 0.000 1.218 62 W CB 0.498 30.056 29.460 0.162 0.000 1.205 62 W HN 0.659 nan 8.180 nan 0.000 0.551 63 I N 0.434 121.203 120.570 0.331 0.000 4.154 63 I HA 0.363 4.531 4.170 -0.004 0.000 0.334 63 I C 0.506 176.720 176.117 0.161 0.000 1.371 63 I CA -0.106 61.304 61.300 0.183 0.000 1.110 63 I CB -0.141 37.903 38.000 0.074 0.000 1.085 63 I HN 0.268 nan 8.210 nan 0.000 0.398 64 S N -0.738 115.093 115.700 0.218 0.000 2.715 64 S HA 0.229 4.697 4.470 -0.004 0.000 0.284 64 S C -0.205 174.496 174.600 0.169 0.000 1.216 64 S CA -0.124 58.153 58.200 0.128 0.000 0.970 64 S CB 1.023 64.213 63.200 -0.016 0.000 1.273 64 S HN 0.053 nan 8.310 nan 0.000 0.509 65 D N 0.182 120.669 120.400 0.145 0.000 2.355 65 D HA 0.140 4.778 4.640 -0.004 0.000 0.218 65 D C 1.062 177.595 176.300 0.389 0.000 1.004 65 D CA 1.357 55.484 54.000 0.211 0.000 0.880 65 D CB -0.013 40.934 40.800 0.244 0.000 0.911 65 D HN 0.657 nan 8.370 nan 0.000 0.528 66 H N -2.498 116.770 119.070 0.330 0.000 3.394 66 H HA 0.387 4.941 4.556 -0.004 0.000 0.256 66 H C -0.443 175.053 175.328 0.279 0.000 1.180 66 H CA -0.343 55.906 56.048 0.335 0.000 1.064 66 H CB -0.127 29.810 29.762 0.292 0.000 1.854 66 H HN 0.009 nan 8.280 nan 0.000 0.731 67 E N 1.191 121.456 120.200 0.110 0.000 2.317 67 E HA 0.410 4.758 4.350 -0.004 0.000 0.270 67 E C -1.504 175.237 176.600 0.235 0.000 0.885 67 E CA -1.140 55.304 56.400 0.073 0.000 0.760 67 E CB 3.065 32.723 29.700 -0.071 0.000 1.227 67 E HN 0.295 nan 8.360 nan 0.000 0.434 68 Y N -0.416 119.894 120.300 0.017 0.000 2.588 68 Y HA 0.633 5.180 4.550 -0.004 0.000 0.343 68 Y C -1.553 174.335 175.900 -0.021 0.000 1.065 68 Y CA -1.302 56.720 58.100 -0.129 0.000 1.038 68 Y CB 0.841 38.937 38.460 -0.606 0.000 1.297 68 Y HN 0.320 nan 8.280 nan 0.000 0.467 69 L N 2.822 124.180 121.223 0.226 0.000 2.334 69 L HA 0.518 4.856 4.340 -0.004 0.000 0.275 69 L C -1.317 175.783 176.870 0.383 0.000 1.036 69 L CA -1.003 53.936 54.840 0.165 0.000 0.807 69 L CB 1.594 43.648 42.059 -0.008 0.000 1.231 69 L HN 0.777 nan 8.230 nan 0.000 0.438 70 Y N 2.335 122.754 120.300 0.199 0.000 2.479 70 Y HA 0.323 4.871 4.550 -0.003 0.000 0.338 70 Y C -0.761 175.179 175.900 0.067 0.000 1.055 70 Y CA -1.291 56.885 58.100 0.128 0.000 1.023 70 Y CB 1.711 40.307 38.460 0.227 0.000 1.287 70 Y HN 0.447 nan 8.280 nan 0.000 0.447 71 K N 4.729 124.798 120.400 -0.551 0.000 2.227 71 K HA 0.381 4.698 4.320 -0.004 0.000 0.280 71 K C -1.180 175.028 176.600 -0.653 0.000 1.041 71 K CA -0.407 55.620 56.287 -0.433 0.000 0.905 71 K CB 0.786 33.126 32.500 -0.266 0.000 1.068 71 K HN 0.843 nan 8.250 nan 0.000 0.470 72 Q N 3.997 123.615 119.800 -0.303 0.000 2.350 72 Q HA 0.092 4.430 4.340 -0.004 0.000 0.255 72 Q C -1.317 174.626 176.000 -0.094 0.000 0.951 72 Q CA -0.344 55.349 55.803 -0.182 0.000 0.751 72 Q CB 0.992 29.740 28.738 0.017 0.000 1.296 72 Q HN 0.675 nan 8.270 nan 0.000 0.453 73 E N 2.843 122.987 120.200 -0.093 0.000 2.257 73 E HA -0.293 4.055 4.350 -0.004 0.000 0.217 73 E C -0.347 176.213 176.600 -0.066 0.000 1.248 73 E CA 1.211 57.574 56.400 -0.062 0.000 0.691 73 E CB -2.085 27.594 29.700 -0.036 0.000 1.185 73 E HN 1.127 nan 8.360 nan 0.000 0.377 74 N N -1.474 117.179 118.700 -0.078 0.000 2.895 74 N HA -0.243 4.495 4.740 -0.004 0.000 0.237 74 N C 0.024 175.487 175.510 -0.078 0.000 0.934 74 N CA 1.153 54.162 53.050 -0.069 0.000 0.984 74 N CB -0.398 38.060 38.487 -0.050 0.000 1.089 74 N HN 0.341 nan 8.380 nan 0.000 0.604 75 N N 0.855 119.505 118.700 -0.083 0.000 2.508 75 N HA 0.405 5.143 4.740 -0.004 0.000 0.285 75 N C -0.406 175.047 175.510 -0.094 0.000 1.144 75 N CA 0.062 53.064 53.050 -0.079 0.000 0.978 75 N CB 1.027 39.479 38.487 -0.059 0.000 1.180 75 N HN 0.122 nan 8.380 nan 0.000 0.484 76 I N 3.067 123.587 120.570 -0.083 0.000 2.354 76 I HA 0.279 4.447 4.170 -0.004 0.000 0.286 76 I C -0.193 175.927 176.117 0.005 0.000 1.007 76 I CA -0.445 60.802 61.300 -0.087 0.000 1.167 76 I CB 0.859 38.742 38.000 -0.196 0.000 1.320 76 I HN 0.169 nan 8.210 nan 0.000 0.458 77 L N 6.514 127.752 121.223 0.024 0.000 2.344 77 L HA 0.624 4.962 4.340 -0.004 0.000 0.272 77 L C -0.204 176.663 176.870 -0.005 0.000 1.035 77 L CA -1.002 53.833 54.840 -0.008 0.000 0.807 77 L CB 2.026 44.041 42.059 -0.074 0.000 1.237 77 L HN 0.287 nan 8.230 nan 0.000 0.442 78 V N 1.850 121.703 119.914 -0.101 0.000 2.513 78 V HA 0.530 4.648 4.120 -0.004 0.000 0.299 78 V C -1.059 174.845 176.094 -0.316 0.000 1.035 78 V CA -0.232 62.007 62.300 -0.102 0.000 0.889 78 V CB 1.544 33.392 31.823 0.042 0.000 0.988 78 V HN 0.476 nan 8.190 nan 0.000 0.440 79 F N 5.052 124.740 119.950 -0.437 0.000 2.508 79 F HA 0.490 5.015 4.527 -0.003 0.000 0.325 79 F C 0.412 175.934 175.800 -0.462 0.000 1.090 79 F CA -0.555 57.100 58.000 -0.575 0.000 0.945 79 F CB 1.789 40.074 39.000 -1.192 0.000 1.156 79 F HN 0.523 nan 8.300 nan 0.000 0.463 80 N N 2.345 121.021 118.700 -0.039 0.000 2.420 80 N HA 0.220 4.958 4.740 -0.004 0.000 0.249 80 N C 0.601 176.077 175.510 -0.057 0.000 1.033 80 N CA 0.180 53.242 53.050 0.020 0.000 0.944 80 N CB 1.679 40.251 38.487 0.140 0.000 1.113 80 N HN 0.837 nan 8.380 nan 0.000 0.502 81 A N 4.136 126.876 122.820 -0.132 0.000 1.892 81 A HA -0.223 4.095 4.320 -0.004 0.000 0.218 81 A C 1.880 179.180 177.584 -0.474 0.000 1.188 81 A CA 1.800 53.653 52.037 -0.306 0.000 0.631 81 A CB -0.622 17.988 19.000 -0.651 0.000 0.822 81 A HN 0.874 nan 8.150 nan 0.000 0.447 82 E N -1.903 117.946 120.200 -0.586 0.000 2.153 82 E HA -0.200 4.148 4.350 -0.004 0.000 0.194 82 E C 1.293 177.510 176.600 -0.638 0.000 0.988 82 E CA 1.575 57.619 56.400 -0.593 0.000 0.811 82 E CB -0.128 29.134 29.700 -0.729 0.000 0.746 82 E HN 0.841 nan 8.360 nan 0.000 0.466 83 Y N -2.398 117.896 120.300 -0.009 0.000 2.430 83 Y HA 0.335 4.883 4.550 -0.004 0.000 0.254 83 Y C 1.498 177.408 175.900 0.016 0.000 1.088 83 Y CA -0.040 58.064 58.100 0.007 0.000 1.267 83 Y CB 1.426 39.894 38.460 0.013 0.000 1.204 83 Y HN 0.154 nan 8.280 nan 0.000 0.515 84 G N 1.295 110.172 108.800 0.129 0.000 2.179 84 G HA2 -0.319 3.638 3.960 -0.004 0.000 0.260 84 G HA3 -0.319 3.638 3.960 -0.004 0.000 0.260 84 G C -0.011 175.042 174.900 0.255 0.000 0.977 84 G CA 0.211 45.413 45.100 0.171 0.000 0.641 84 G HN 0.462 nan 8.290 nan 0.000 0.533 85 N N 0.605 119.408 118.700 0.171 0.000 2.503 85 N HA 0.572 5.310 4.740 -0.004 0.000 0.267 85 N C 0.179 175.632 175.510 -0.096 0.000 1.214 85 N CA 0.716 53.801 53.050 0.058 0.000 0.959 85 N CB 1.642 40.156 38.487 0.045 0.000 1.142 85 N HN 0.881 nan 8.380 nan 0.000 0.455 86 S N 0.295 115.828 115.700 -0.278 0.000 2.851 86 S HA 0.804 5.272 4.470 -0.004 0.000 0.313 86 S C -0.827 173.585 174.600 -0.313 0.000 1.163 86 S CA -0.745 57.137 58.200 -0.530 0.000 0.850 86 S CB 1.463 63.859 63.200 -1.340 0.000 1.245 86 S HN 0.684 nan 8.310 nan 0.000 0.558 87 S N -0.605 114.913 115.700 -0.304 0.000 2.588 87 S HA 0.523 4.991 4.470 -0.004 0.000 0.269 87 S C -1.365 173.157 174.600 -0.129 0.000 1.157 87 S CA -0.749 57.351 58.200 -0.166 0.000 0.824 87 S CB 1.449 64.588 63.200 -0.101 0.000 1.126 87 S HN 0.775 nan 8.310 nan 0.000 0.464 88 V N 2.796 122.657 119.914 -0.087 0.000 2.455 88 V HA 0.219 4.337 4.120 -0.004 0.000 0.273 88 V C 0.415 176.503 176.094 -0.010 0.000 1.045 88 V CA 0.216 62.485 62.300 -0.052 0.000 0.976 88 V CB 0.230 32.012 31.823 -0.069 0.000 0.993 88 V HN 0.915 nan 8.190 nan 0.000 0.475 89 F N 5.626 125.506 119.950 -0.117 0.000 2.317 89 F HA 0.370 4.895 4.527 -0.004 0.000 0.290 89 F C 0.535 176.273 175.800 -0.104 0.000 1.075 89 F CA 0.728 58.670 58.000 -0.098 0.000 1.380 89 F CB 0.544 39.493 39.000 -0.086 0.000 1.093 89 F HN 0.354 nan 8.300 nan 0.000 0.524 90 L N 1.461 122.756 121.223 0.121 0.000 2.518 90 L HA 0.303 4.641 4.340 -0.004 0.000 0.262 90 L C -0.817 176.001 176.870 -0.086 0.000 0.982 90 L CA -0.659 54.169 54.840 -0.021 0.000 0.873 90 L CB 0.751 42.853 42.059 0.071 0.000 1.198 90 L HN 0.008 nan 8.230 nan 0.000 0.427 91 E N 1.790 121.909 120.200 -0.136 0.000 2.568 91 E HA -0.096 4.252 4.350 -0.004 0.000 0.262 91 E C 1.062 177.576 176.600 -0.144 0.000 0.961 91 E CA 0.746 57.066 56.400 -0.134 0.000 0.945 91 E CB 0.726 30.337 29.700 -0.149 0.000 0.924 91 E HN 0.627 nan 8.360 nan 0.000 0.467 92 N N 1.591 120.228 118.700 -0.104 0.000 2.364 92 N HA -0.214 4.524 4.740 -0.004 0.000 0.183 92 N C 0.992 176.446 175.510 -0.093 0.000 1.022 92 N CA 1.396 54.395 53.050 -0.086 0.000 0.883 92 N CB -0.214 38.235 38.487 -0.065 0.000 0.965 92 N HN 0.331 nan 8.380 nan 0.000 0.438 93 S N -2.506 113.122 115.700 -0.120 0.000 2.575 93 S HA 0.109 4.577 4.470 -0.004 0.000 0.215 93 S C 1.340 175.818 174.600 -0.204 0.000 0.966 93 S CA -0.097 58.031 58.200 -0.120 0.000 0.911 93 S CB -0.614 62.528 63.200 -0.098 0.000 0.780 93 S HN 0.209 nan 8.310 nan 0.000 0.514 94 T N 1.695 116.045 114.554 -0.340 0.000 2.759 94 T HA 0.031 4.379 4.350 -0.004 0.000 0.269 94 T C 0.065 174.241 174.700 -0.873 0.000 1.042 94 T CA 1.221 62.916 62.100 -0.675 0.000 1.140 94 T CB -0.404 67.853 68.868 -1.019 0.000 0.864 94 T HN 0.577 nan 8.240 nan 0.000 0.455 95 F N 0.939 120.797 119.950 -0.153 0.000 2.928 95 F HA 0.383 4.909 4.527 -0.003 0.000 0.337 95 F C 0.849 176.636 175.800 -0.022 0.000 1.259 95 F CA -1.283 56.648 58.000 -0.114 0.000 1.267 95 F CB 0.103 38.930 39.000 -0.288 0.000 0.986 95 F HN -0.084 nan 8.300 nan 0.000 0.507 96 D N 0.512 120.950 120.400 0.064 0.000 2.084 96 D HA -0.122 4.515 4.640 -0.004 0.000 0.196 96 D C 1.307 177.658 176.300 0.085 0.000 0.985 96 D CA 1.450 55.483 54.000 0.055 0.000 0.826 96 D CB 0.110 40.911 40.800 0.002 0.000 0.978 96 D HN 0.174 nan 8.370 nan 0.000 0.456 97 E N -0.461 119.788 120.200 0.083 0.000 2.303 97 E HA 0.092 4.440 4.350 -0.004 0.000 0.211 97 E C 0.516 177.181 176.600 0.108 0.000 1.223 97 E CA -0.284 56.154 56.400 0.063 0.000 1.344 97 E CB -0.556 29.160 29.700 0.027 0.000 1.299 97 E HN 0.155 nan 8.360 nan 0.000 0.441 98 F N 0.220 120.173 119.950 0.006 0.000 2.293 98 F HA 0.114 4.638 4.527 -0.004 0.000 0.297 98 F C 1.850 177.575 175.800 -0.124 0.000 1.089 98 F CA 1.460 59.454 58.000 -0.010 0.000 1.377 98 F CB 0.248 39.249 39.000 0.001 0.000 1.051 98 F HN 0.257 nan 8.300 nan 0.000 0.511 99 G N -0.564 108.162 108.800 -0.123 0.000 2.176 99 G HA2 -0.239 3.719 3.960 -0.004 0.000 0.253 99 G HA3 -0.239 3.719 3.960 -0.004 0.000 0.253 99 G C 0.046 174.616 174.900 -0.549 0.000 0.979 99 G CA 0.362 45.247 45.100 -0.358 0.000 0.641 99 G HN 0.530 nan 8.290 nan 0.000 0.530 100 H N -0.635 118.437 119.070 0.004 0.000 2.930 100 H HA 0.596 5.150 4.556 -0.003 0.000 0.371 100 H C -0.688 174.718 175.328 0.131 0.000 1.169 100 H CA -0.057 56.018 56.048 0.045 0.000 1.157 100 H CB 1.635 31.290 29.762 -0.179 0.000 1.789 100 H HN 0.149 nan 8.280 nan 0.000 0.547 101 S N 2.168 118.008 115.700 0.235 0.000 2.465 101 S HA 0.311 4.779 4.470 -0.004 0.000 0.279 101 S C 0.254 174.921 174.600 0.111 0.000 1.201 101 S CA -0.683 57.596 58.200 0.132 0.000 1.053 101 S CB -0.479 62.782 63.200 0.101 0.000 0.953 101 S HN 0.361 nan 8.310 nan 0.000 0.488 102 I N 5.687 126.263 120.570 0.010 0.000 2.363 102 I HA 0.119 4.287 4.170 -0.004 0.000 0.292 102 I C 1.455 177.556 176.117 -0.028 0.000 1.075 102 I CA -0.303 60.966 61.300 -0.051 0.000 1.333 102 I CB 0.644 38.513 38.000 -0.219 0.000 1.415 102 I HN 0.712 nan 8.210 nan 0.000 0.502 103 N N 3.970 122.657 118.700 -0.022 0.000 2.216 103 N HA -0.105 4.633 4.740 -0.004 0.000 0.183 103 N C 0.059 175.499 175.510 -0.117 0.000 1.017 103 N CA 1.312 54.302 53.050 -0.101 0.000 0.861 103 N CB 0.347 38.739 38.487 -0.158 0.000 0.986 103 N HN 0.679 nan 8.380 nan 0.000 0.428 104 D N -2.941 117.418 120.400 -0.068 0.000 2.671 104 D HA 0.170 4.808 4.640 -0.004 0.000 0.273 104 D C -1.694 174.625 176.300 0.031 0.000 1.264 104 D CA -0.550 53.413 54.000 -0.061 0.000 0.788 104 D CB 0.655 41.379 40.800 -0.126 0.000 1.324 104 D HN 0.084 nan 8.370 nan 0.000 0.424 105 Y N -1.175 119.130 120.300 0.008 0.000 2.605 105 Y HA 0.790 5.338 4.550 -0.003 0.000 0.343 105 Y C -1.034 174.940 175.900 0.123 0.000 1.036 105 Y CA -1.001 57.129 58.100 0.050 0.000 1.065 105 Y CB 1.860 40.333 38.460 0.022 0.000 1.288 105 Y HN 0.158 nan 8.280 nan 0.000 0.481 106 S N 1.985 117.890 115.700 0.341 0.000 2.689 106 S HA 0.594 5.062 4.470 -0.004 0.000 0.274 106 S C -1.772 173.143 174.600 0.525 0.000 1.176 106 S CA -0.456 57.957 58.200 0.355 0.000 1.014 106 S CB 0.237 63.646 63.200 0.347 0.000 1.071 106 S HN 0.602 nan 8.310 nan 0.000 0.478 107 I N 4.490 125.262 120.570 0.338 0.000 2.395 107 I HA 0.307 4.475 4.170 -0.004 0.000 0.289 107 I C 0.947 176.914 176.117 -0.249 0.000 1.023 107 I CA 0.093 61.480 61.300 0.145 0.000 1.350 107 I CB 1.620 39.699 38.000 0.131 0.000 1.409 107 I HN 0.720 nan 8.210 nan 0.000 0.507 108 S N 6.091 121.300 115.700 -0.817 0.000 2.573 108 S HA 0.172 4.640 4.470 -0.004 0.000 0.277 108 S C -1.788 172.532 174.600 -0.466 0.000 1.346 108 S CA -0.787 56.585 58.200 -1.380 0.000 1.034 108 S CB 0.321 62.548 63.200 -1.623 0.000 0.879 108 S HN 0.460 nan 8.310 nan 0.000 0.528 109 P HA -0.161 nan 4.420 nan 0.000 0.217 109 P C 0.708 177.969 177.300 -0.065 0.000 1.151 109 P CA 1.675 64.713 63.100 -0.103 0.000 0.849 109 P CB -0.156 31.502 31.700 -0.070 0.000 0.787 110 D N -2.297 118.057 120.400 -0.076 0.000 2.328 110 D HA 0.101 4.739 4.640 -0.004 0.000 0.226 110 D C 1.384 177.685 176.300 0.002 0.000 1.066 110 D CA 0.445 54.436 54.000 -0.014 0.000 0.861 110 D CB -1.171 39.639 40.800 0.017 0.000 0.912 110 D HN 0.194 nan 8.370 nan 0.000 0.521 111 G N 0.477 109.270 108.800 -0.012 0.000 2.175 111 G HA2 -0.435 3.523 3.960 -0.004 0.000 0.265 111 G HA3 -0.435 3.523 3.960 -0.004 0.000 0.265 111 G C 0.984 175.876 174.900 -0.014 0.000 0.979 111 G CA 0.689 45.817 45.100 0.047 0.000 0.663 111 G HN 0.477 nan 8.290 nan 0.000 0.533 112 Q N -1.623 118.129 119.800 -0.080 0.000 2.389 112 Q HA 0.378 4.716 4.340 -0.004 0.000 0.204 112 Q C 0.248 175.854 176.000 -0.656 0.000 0.944 112 Q CA 0.597 56.210 55.803 -0.317 0.000 0.908 112 Q CB 0.275 28.853 28.738 -0.267 0.000 1.002 112 Q HN 0.590 nan 8.270 nan 0.000 0.493 113 F N -0.881 119.016 119.950 -0.088 0.000 2.643 113 F HA 0.499 5.024 4.527 -0.004 0.000 0.314 113 F C -0.744 175.126 175.800 0.116 0.000 1.096 113 F CA -1.219 56.791 58.000 0.017 0.000 0.953 113 F CB 1.701 40.725 39.000 0.041 0.000 1.345 113 F HN -0.235 nan 8.300 nan 0.000 0.468 114 I N 2.603 123.500 120.570 0.544 0.000 2.499 114 I HA 0.501 4.669 4.170 -0.004 0.000 0.288 114 I C -1.860 174.595 176.117 0.563 0.000 1.048 114 I CA -0.996 60.617 61.300 0.521 0.000 1.062 114 I CB 1.447 39.711 38.000 0.441 0.000 1.238 114 I HN 0.524 nan 8.210 nan 0.000 0.426 115 L N 8.326 129.919 121.223 0.617 0.000 2.281 115 L HA 0.460 4.798 4.340 -0.004 0.000 0.285 115 L C -1.131 175.910 176.870 0.286 0.000 1.074 115 L CA 0.054 55.149 54.840 0.424 0.000 0.817 115 L CB 0.832 43.088 42.059 0.329 0.000 1.168 115 L HN 0.506 nan 8.230 nan 0.000 0.434 116 L N 5.302 126.634 121.223 0.182 0.000 2.280 116 L HA 0.485 4.823 4.340 -0.004 0.000 0.287 116 L C -0.047 176.876 176.870 0.089 0.000 1.023 116 L CA -0.426 54.426 54.840 0.020 0.000 0.819 116 L CB 1.466 43.337 42.059 -0.314 0.000 1.212 116 L HN 0.608 nan 8.230 nan 0.000 0.420 117 E N 4.088 124.294 120.200 0.010 0.000 2.175 117 E HA 0.475 4.823 4.350 -0.004 0.000 0.278 117 E C -1.600 174.951 176.600 -0.080 0.000 0.969 117 E CA -0.483 55.772 56.400 -0.242 0.000 0.796 117 E CB 1.198 30.813 29.700 -0.142 0.000 1.104 117 E HN 0.449 nan 8.360 nan 0.000 0.395 118 Y N 1.443 121.547 120.300 -0.327 0.000 2.744 118 Y HA 0.434 4.983 4.550 -0.003 0.000 0.330 118 Y C -0.177 175.621 175.900 -0.170 0.000 1.263 118 Y CA -1.547 56.452 58.100 -0.169 0.000 1.065 118 Y CB 0.553 38.971 38.460 -0.070 0.000 1.306 118 Y HN 0.541 nan 8.280 nan 0.000 0.459 119 N N -0.282 118.423 118.700 0.009 0.000 2.754 119 N HA -0.288 4.450 4.740 -0.004 0.000 0.248 119 N C -1.002 174.476 175.510 -0.052 0.000 1.093 119 N CA 0.962 53.973 53.050 -0.065 0.000 0.699 119 N CB -1.401 36.935 38.487 -0.252 0.000 1.016 119 N HN 0.869 nan 8.380 nan 0.000 0.552 120 Y N 0.465 120.693 120.300 -0.119 0.000 2.650 120 Y HA 0.259 4.807 4.550 -0.004 0.000 0.331 120 Y C 0.003 175.867 175.900 -0.060 0.000 1.165 120 Y CA 0.086 58.115 58.100 -0.119 0.000 1.473 120 Y CB 0.645 38.991 38.460 -0.190 0.000 1.224 120 Y HN -0.012 nan 8.280 nan 0.000 0.533 121 V N 8.187 127.734 119.914 -0.612 0.000 2.398 121 V HA 0.186 4.303 4.120 -0.004 0.000 0.282 121 V C -0.189 175.506 176.094 -0.664 0.000 1.014 121 V CA -1.404 60.587 62.300 -0.516 0.000 0.838 121 V CB 1.085 32.767 31.823 -0.236 0.000 1.018 121 V HN 0.758 nan 8.190 nan 0.000 0.432 122 K N 3.629 123.575 120.400 -0.757 0.000 2.485 122 K HA 0.128 4.446 4.320 -0.004 0.000 0.277 122 K C 0.454 176.879 176.600 -0.293 0.000 0.990 122 K CA 0.450 56.483 56.287 -0.424 0.000 0.994 122 K CB 1.070 33.504 32.500 -0.109 0.000 0.906 122 K HN 0.816 nan 8.250 nan 0.000 0.488 123 Q N 2.970 122.591 119.800 -0.297 0.000 2.653 123 Q HA 0.193 4.530 4.340 -0.004 0.000 0.212 123 Q C -0.073 175.694 176.000 -0.389 0.000 0.951 123 Q CA -0.477 54.959 55.803 -0.611 0.000 0.535 123 Q CB 0.136 28.328 28.738 -0.910 0.000 3.737 123 Q HN 0.737 nan 8.270 nan 0.000 0.401 124 W N 0.274 121.563 121.300 -0.019 0.000 1.836 124 W HA 0.402 5.060 4.660 -0.003 0.000 0.628 124 W C 1.847 178.342 176.519 -0.040 0.000 1.626 124 W CA -0.706 56.651 57.345 0.020 0.000 1.714 124 W CB -0.155 29.273 29.460 -0.053 0.000 3.166 124 W HN 0.291 nan 8.180 nan 0.000 0.772 125 R N -0.572 120.002 120.500 0.125 0.000 2.092 125 R HA -0.135 4.203 4.340 -0.004 0.000 0.231 125 R C 1.650 177.776 176.300 -0.290 0.000 1.119 125 R CA 1.648 57.648 56.100 -0.167 0.000 0.970 125 R CB -0.327 29.723 30.300 -0.417 0.000 0.864 125 R HN 0.501 nan 8.270 nan 0.000 0.440 126 H N -1.483 117.657 119.070 0.117 0.000 2.927 126 H HA 0.156 4.710 4.556 -0.004 0.000 0.255 126 H C 0.550 175.960 175.328 0.136 0.000 0.974 126 H CA 0.420 56.557 56.048 0.148 0.000 1.199 126 H CB 0.339 30.162 29.762 0.102 0.000 1.447 126 H HN 0.119 nan 8.280 nan 0.000 0.467 127 S N 1.386 117.066 115.700 -0.034 0.000 2.580 127 S HA 0.405 4.872 4.470 -0.004 0.000 0.274 127 S C -0.333 174.119 174.600 -0.246 0.000 1.329 127 S CA -0.486 57.375 58.200 -0.565 0.000 1.036 127 S CB 0.787 63.114 63.200 -1.455 0.000 0.919 127 S HN 0.429 nan 8.310 nan 0.000 0.515 128 Y N -2.168 117.995 120.300 -0.229 0.000 2.702 128 Y HA 0.661 5.209 4.550 -0.003 0.000 0.336 128 Y C -0.804 175.077 175.900 -0.031 0.000 1.203 128 Y CA -0.965 57.012 58.100 -0.206 0.000 1.072 128 Y CB 0.450 38.790 38.460 -0.201 0.000 1.327 128 Y HN 0.859 nan 8.280 nan 0.000 0.456 129 T N -0.055 114.559 114.554 0.099 0.000 2.932 129 T HA 1.023 5.370 4.350 -0.004 0.000 0.289 129 T C -0.427 174.372 174.700 0.166 0.000 1.039 129 T CA -0.155 62.019 62.100 0.124 0.000 1.024 129 T CB 1.798 70.686 68.868 0.033 0.000 1.090 129 T HN 1.859 nan 8.240 nan 0.000 0.496 130 A N 0.854 123.750 122.820 0.127 0.000 2.564 130 A HA 0.768 5.085 4.320 -0.004 0.000 0.291 130 A C -0.626 176.771 177.584 -0.312 0.000 1.102 130 A CA -0.975 50.993 52.037 -0.115 0.000 0.660 130 A CB 1.038 19.957 19.000 -0.134 0.000 1.283 130 A HN 0.840 nan 8.150 nan 0.000 0.430 131 S N -0.752 114.506 115.700 -0.737 0.000 2.638 131 S HA 0.844 5.311 4.470 -0.004 0.000 0.298 131 S C -1.550 172.365 174.600 -1.141 0.000 1.111 131 S CA -0.095 57.596 58.200 -0.849 0.000 1.027 131 S CB 0.743 63.205 63.200 -1.231 0.000 1.064 131 S HN 0.467 nan 8.310 nan 0.000 0.525 132 Y N 0.045 120.101 120.300 -0.407 0.000 2.504 132 Y HA 0.484 5.032 4.550 -0.003 0.000 0.344 132 Y C -0.380 175.551 175.900 0.051 0.000 1.023 132 Y CA -0.964 57.050 58.100 -0.144 0.000 1.020 132 Y CB 1.715 40.054 38.460 -0.202 0.000 1.282 132 Y HN 0.492 nan 8.280 nan 0.000 0.454 133 D N 1.938 122.547 120.400 0.348 0.000 2.490 133 D HA 0.585 5.223 4.640 -0.004 0.000 0.232 133 D C -0.981 175.464 176.300 0.242 0.000 1.053 133 D CA -0.357 53.828 54.000 0.307 0.000 0.914 133 D CB 2.784 43.863 40.800 0.465 0.000 1.431 133 D HN 0.405 nan 8.370 nan 0.000 0.483 134 I N 1.659 122.367 120.570 0.230 0.000 2.406 134 I HA 0.229 4.397 4.170 -0.004 0.000 0.290 134 I C -1.053 175.300 176.117 0.392 0.000 0.999 134 I CA -0.940 60.534 61.300 0.290 0.000 1.124 134 I CB 1.626 39.739 38.000 0.188 0.000 1.289 134 I HN 0.225 nan 8.210 nan 0.000 0.441 135 Y N 5.801 126.294 120.300 0.322 0.000 2.331 135 Y HA 0.284 4.832 4.550 -0.004 0.000 0.338 135 Y C -0.122 175.984 175.900 0.344 0.000 0.992 135 Y CA -0.643 57.649 58.100 0.321 0.000 1.121 135 Y CB 1.069 39.738 38.460 0.347 0.000 1.184 135 Y HN 0.471 nan 8.280 nan 0.000 0.469 136 D N 6.423 126.743 120.400 -0.133 0.000 2.336 136 D HA 0.069 4.707 4.640 -0.004 0.000 0.249 136 D C 0.771 176.752 176.300 -0.533 0.000 1.213 136 D CA 0.335 54.169 54.000 -0.278 0.000 0.870 136 D CB 0.958 41.652 40.800 -0.175 0.000 1.076 136 D HN 0.882 nan 8.370 nan 0.000 0.483 137 L N 3.786 124.786 121.223 -0.372 0.000 2.056 137 L HA -0.188 4.150 4.340 -0.004 0.000 0.207 137 L C 1.971 178.681 176.870 -0.268 0.000 1.078 137 L CA 0.663 55.374 54.840 -0.214 0.000 0.749 137 L CB -0.316 41.651 42.059 -0.152 0.000 0.901 137 L HN 0.363 nan 8.230 nan 0.000 0.433 138 N N 0.713 119.217 118.700 -0.328 0.000 2.028 138 N HA -0.165 4.573 4.740 -0.004 0.000 0.194 138 N C 1.711 177.096 175.510 -0.209 0.000 1.050 138 N CA 1.396 54.300 53.050 -0.243 0.000 0.848 138 N CB -0.272 38.071 38.487 -0.240 0.000 1.038 138 N HN 0.246 nan 8.380 nan 0.000 0.423 139 K N 0.668 120.930 120.400 -0.229 0.000 2.442 139 K HA 0.136 4.454 4.320 -0.004 0.000 0.198 139 K C -0.032 176.440 176.600 -0.213 0.000 1.042 139 K CA 0.087 56.266 56.287 -0.180 0.000 0.958 139 K CB 0.139 32.551 32.500 -0.147 0.000 0.766 139 K HN 0.158 nan 8.250 nan 0.000 0.474 140 R N 0.815 121.121 120.500 -0.324 0.000 3.627 140 R HA -0.216 4.122 4.340 -0.004 0.000 0.281 140 R C -0.752 175.303 176.300 -0.408 0.000 1.140 140 R CA 0.844 56.722 56.100 -0.369 0.000 0.761 140 R CB -2.230 28.015 30.300 -0.092 0.000 1.181 140 R HN 0.466 nan 8.270 nan 0.000 0.472 141 Q N 0.091 119.606 119.800 -0.476 0.000 2.351 141 Q HA 0.561 4.899 4.340 -0.004 0.000 0.273 141 Q C -0.627 175.242 176.000 -0.217 0.000 1.077 141 Q CA -1.194 54.484 55.803 -0.209 0.000 0.843 141 Q CB 1.777 30.462 28.738 -0.089 0.000 1.367 141 Q HN 0.030 nan 8.270 nan 0.000 0.449 142 L N 1.668 122.959 121.223 0.114 0.000 2.289 142 L HA 0.393 4.730 4.340 -0.004 0.000 0.285 142 L C -0.839 176.131 176.870 0.166 0.000 1.049 142 L CA -0.114 54.895 54.840 0.282 0.000 0.804 142 L CB 0.943 43.260 42.059 0.430 0.000 1.195 142 L HN 0.523 nan 8.230 nan 0.000 0.428 143 I N 3.883 124.555 120.570 0.170 0.000 2.496 143 I HA 0.115 4.283 4.170 -0.004 0.000 0.285 143 I C 0.851 177.022 176.117 0.091 0.000 1.080 143 I CA 0.221 61.588 61.300 0.111 0.000 1.404 143 I CB 0.889 38.951 38.000 0.103 0.000 1.403 143 I HN 0.787 nan 8.210 nan 0.000 0.539 144 T N 0.503 115.090 114.554 0.054 0.000 3.040 144 T HA 0.266 4.614 4.350 -0.004 0.000 0.266 144 T C 0.284 174.986 174.700 0.003 0.000 1.005 144 T CA -0.449 61.671 62.100 0.032 0.000 0.906 144 T CB -0.071 68.814 68.868 0.029 0.000 1.082 144 T HN 0.550 nan 8.240 nan 0.000 0.531 145 E N 2.078 122.276 120.200 -0.003 0.000 2.204 145 E HA 0.432 4.780 4.350 -0.004 0.000 0.276 145 E C -0.422 176.150 176.600 -0.046 0.000 0.974 145 E CA -0.958 55.429 56.400 -0.023 0.000 0.815 145 E CB 0.680 30.372 29.700 -0.015 0.000 1.119 145 E HN 0.047 nan 8.360 nan 0.000 0.393 146 E N 1.309 121.469 120.200 -0.066 0.000 2.269 146 E HA -0.245 4.103 4.350 -0.004 0.000 0.223 146 E C -0.699 175.827 176.600 -0.123 0.000 1.244 146 E CA 0.680 57.023 56.400 -0.095 0.000 0.713 146 E CB -1.248 28.404 29.700 -0.080 0.000 1.178 146 E HN 0.464 nan 8.360 nan 0.000 0.370 147 R N -0.245 120.178 120.500 -0.129 0.000 2.694 147 R HA 0.305 4.643 4.340 -0.004 0.000 0.268 147 R C 1.166 177.301 176.300 -0.276 0.000 1.061 147 R CA -0.287 55.722 56.100 -0.152 0.000 1.133 147 R CB 0.482 30.723 30.300 -0.099 0.000 1.020 147 R HN 0.167 nan 8.270 nan 0.000 0.475 148 I N 3.934 124.304 120.570 -0.332 0.000 2.648 148 I HA 0.029 4.197 4.170 -0.004 0.000 0.284 148 I C -1.716 174.098 176.117 -0.506 0.000 1.153 148 I CA -1.542 59.403 61.300 -0.591 0.000 1.426 148 I CB 0.541 38.188 38.000 -0.587 0.000 1.381 148 I HN 0.342 nan 8.210 nan 0.000 0.571 149 P HA 0.038 nan 4.420 nan 0.000 0.269 149 P C -0.871 176.199 177.300 -0.383 0.000 1.215 149 P CA -0.218 62.469 63.100 -0.689 0.000 0.780 149 P CB 0.340 31.193 31.700 -1.411 0.000 0.898 150 N N 2.567 121.123 118.700 -0.241 0.000 2.503 150 N HA 0.058 4.796 4.740 -0.004 0.000 0.267 150 N C 0.395 175.945 175.510 0.066 0.000 1.214 150 N CA 0.171 53.157 53.050 -0.106 0.000 0.959 150 N CB -0.250 38.190 38.487 -0.078 0.000 1.142 150 N HN 0.415 nan 8.380 nan 0.000 0.455 151 N N -0.936 117.804 118.700 0.066 0.000 2.815 151 N HA -0.147 4.591 4.740 -0.004 0.000 0.249 151 N C -0.888 174.787 175.510 0.275 0.000 1.114 151 N CA 0.636 53.778 53.050 0.153 0.000 0.717 151 N CB -1.689 36.911 38.487 0.188 0.000 1.074 151 N HN 0.472 nan 8.380 nan 0.000 0.555 152 T N 0.928 115.631 114.554 0.248 0.000 2.851 152 T HA 0.126 4.474 4.350 -0.004 0.000 0.298 152 T C 1.733 176.576 174.700 0.239 0.000 0.977 152 T CA 0.034 62.297 62.100 0.270 0.000 1.126 152 T CB 1.242 70.164 68.868 0.091 0.000 0.916 152 T HN 0.154 nan 8.240 nan 0.000 0.529 153 Q N 1.990 121.921 119.800 0.219 0.000 2.212 153 Q HA 0.116 4.454 4.340 -0.004 0.000 0.199 153 Q C 0.230 176.377 176.000 0.245 0.000 0.950 153 Q CA 0.558 56.505 55.803 0.240 0.000 0.863 153 Q CB 0.657 29.497 28.738 0.170 0.000 0.944 153 Q HN 0.703 nan 8.270 nan 0.000 0.465 154 W N -0.399 120.846 121.300 -0.092 0.000 3.645 154 W HA 0.477 5.136 4.660 -0.003 0.000 0.285 154 W C -2.364 174.052 176.519 -0.171 0.000 1.266 154 W CA -0.728 56.515 57.345 -0.170 0.000 1.212 154 W CB 1.192 30.488 29.460 -0.273 0.000 1.306 154 W HN -0.275 nan 8.180 nan 0.000 0.552 155 V N 4.690 123.856 119.914 -1.246 0.000 2.888 155 V HA 0.817 4.935 4.120 -0.004 0.000 0.309 155 V C -1.592 173.830 176.094 -1.120 0.000 1.114 155 V CA -0.071 61.644 62.300 -0.975 0.000 0.940 155 V CB 2.252 33.458 31.823 -1.029 0.000 1.021 155 V HN 0.629 nan 8.190 nan 0.000 0.426 156 T N 5.479 119.698 114.554 -0.557 0.000 3.041 156 T HA 0.506 4.854 4.350 -0.004 0.000 0.321 156 T C -1.272 173.409 174.700 -0.032 0.000 1.184 156 T CA -0.310 61.643 62.100 -0.245 0.000 1.050 156 T CB 0.848 69.807 68.868 0.151 0.000 1.159 156 T HN 0.728 nan 8.240 nan 0.000 0.469 157 W N 3.175 124.502 121.300 0.045 0.000 2.126 157 W HA 0.438 5.096 4.660 -0.004 0.000 0.346 157 W C 1.285 177.698 176.519 -0.177 0.000 1.279 157 W CA -0.460 56.879 57.345 -0.011 0.000 1.259 157 W CB 0.603 30.057 29.460 -0.010 0.000 1.133 157 W HN 0.801 nan 8.180 nan 0.000 0.592 158 S N 1.970 117.504 115.700 -0.277 0.000 2.600 158 S HA 0.134 4.602 4.470 -0.004 0.000 0.265 158 S C -1.365 172.978 174.600 -0.429 0.000 1.325 158 S CA -1.015 56.467 58.200 -1.196 0.000 1.002 158 S CB 0.956 63.280 63.200 -1.459 0.000 0.921 158 S HN 0.424 nan 8.310 nan 0.000 0.554 159 P HA 0.027 nan 4.420 nan 0.000 0.222 159 P C -0.044 177.203 177.300 -0.089 0.000 1.147 159 P CA 0.719 63.767 63.100 -0.088 0.000 0.790 159 P CB -0.007 31.684 31.700 -0.014 0.000 0.780 160 V N -1.596 118.216 119.914 -0.170 0.000 3.007 160 V HA 0.635 4.753 4.120 -0.004 0.000 0.311 160 V C 0.795 176.776 176.094 -0.187 0.000 1.120 160 V CA 0.040 62.260 62.300 -0.134 0.000 0.980 160 V CB 1.075 32.831 31.823 -0.111 0.000 1.033 160 V HN 0.440 nan 8.190 nan 0.000 0.429 161 G N 2.396 111.097 108.800 -0.164 0.000 2.527 161 G HA2 -0.211 3.747 3.960 -0.004 0.000 0.268 161 G HA3 -0.211 3.747 3.960 -0.004 0.000 0.268 161 G C 0.117 174.895 174.900 -0.203 0.000 1.175 161 G CA 0.611 45.559 45.100 -0.253 0.000 0.962 161 G HN 1.884 nan 8.290 nan 0.000 0.560 162 H N -0.678 118.394 119.070 0.003 0.000 3.064 162 H HA 0.439 4.993 4.556 -0.003 0.000 0.232 162 H C 0.240 175.749 175.328 0.303 0.000 1.308 162 H CA -0.245 55.862 56.048 0.099 0.000 1.010 162 H CB -0.131 29.679 29.762 0.080 0.000 2.408 162 H HN 0.482 nan 8.280 nan 0.000 0.599 163 K N 1.676 122.172 120.400 0.160 0.000 2.258 163 K HA 0.456 4.774 4.320 -0.004 0.000 0.264 163 K C -0.463 176.272 176.600 0.226 0.000 1.007 163 K CA -0.332 56.036 56.287 0.136 0.000 0.941 163 K CB 1.621 34.037 32.500 -0.139 0.000 0.966 163 K HN 0.169 nan 8.250 nan 0.000 0.480 164 L N 1.187 122.551 121.223 0.234 0.000 2.381 164 L HA 0.586 4.923 4.340 -0.004 0.000 0.268 164 L C -0.954 176.100 176.870 0.305 0.000 0.997 164 L CA -0.783 54.137 54.840 0.134 0.000 0.818 164 L CB 2.145 44.124 42.059 -0.133 0.000 1.310 164 L HN 0.701 nan 8.230 nan 0.000 0.416 165 A N 2.576 125.561 122.820 0.275 0.000 2.393 165 A HA 0.859 5.177 4.320 -0.004 0.000 0.306 165 A C -1.649 175.954 177.584 0.032 0.000 1.050 165 A CA -0.387 51.710 52.037 0.100 0.000 0.724 165 A CB 1.331 20.319 19.000 -0.021 0.000 1.248 165 A HN 0.671 nan 8.150 nan 0.000 0.424 166 Y N -0.905 119.340 120.300 -0.092 0.000 2.609 166 Y HA 0.746 5.294 4.550 -0.003 0.000 0.336 166 Y C -1.320 174.576 175.900 -0.007 0.000 1.129 166 Y CA -1.508 56.512 58.100 -0.133 0.000 1.040 166 Y CB 1.115 39.431 38.460 -0.241 0.000 1.310 166 Y HN 0.415 nan 8.280 nan 0.000 0.460 167 V N 2.044 122.080 119.914 0.203 0.000 2.448 167 V HA 0.378 4.496 4.120 -0.004 0.000 0.295 167 V C -1.433 174.861 176.094 0.334 0.000 1.025 167 V CA -0.563 61.833 62.300 0.160 0.000 0.859 167 V CB 1.312 33.143 31.823 0.014 0.000 0.988 167 V HN 0.860 nan 8.190 nan 0.000 0.431 168 W N 4.876 126.269 121.300 0.155 0.000 3.097 168 W HA 0.462 5.120 4.660 -0.003 0.000 0.335 168 W C 0.300 176.869 176.519 0.083 0.000 1.114 168 W CA -0.848 56.556 57.345 0.098 0.000 1.231 168 W CB 1.222 30.700 29.460 0.030 0.000 1.388 168 W HN 0.786 nan 8.180 nan 0.000 0.485 169 N N 5.064 123.320 118.700 -0.741 0.000 2.727 169 N HA -0.340 4.398 4.740 -0.004 0.000 0.249 169 N C -0.026 175.282 175.510 -0.337 0.000 1.048 169 N CA 1.001 53.634 53.050 -0.696 0.000 0.714 169 N CB -0.899 36.913 38.487 -1.126 0.000 0.959 169 N HN 0.729 nan 8.380 nan 0.000 0.544 170 N N -1.352 117.224 118.700 -0.206 0.000 2.800 170 N HA -0.158 4.580 4.740 -0.004 0.000 0.250 170 N C -1.491 173.925 175.510 -0.157 0.000 1.078 170 N CA 1.666 54.622 53.050 -0.156 0.000 0.804 170 N CB -0.417 37.942 38.487 -0.213 0.000 1.135 170 N HN 0.525 nan 8.380 nan 0.000 0.565 171 D N -0.255 120.060 120.400 -0.141 0.000 2.433 171 D HA 0.490 5.128 4.640 -0.004 0.000 0.236 171 D C 0.386 176.505 176.300 -0.301 0.000 1.026 171 D CA -0.453 53.381 54.000 -0.277 0.000 0.884 171 D CB 1.395 41.975 40.800 -0.366 0.000 1.384 171 D HN -0.008 nan 8.370 nan 0.000 0.477 172 I N 1.554 121.783 120.570 -0.569 0.000 2.440 172 I HA 0.271 4.439 4.170 -0.004 0.000 0.294 172 I C -0.655 174.977 176.117 -0.809 0.000 0.995 172 I CA -0.436 60.522 61.300 -0.570 0.000 1.306 172 I CB 0.628 38.204 38.000 -0.707 0.000 1.407 172 I HN 0.182 nan 8.210 nan 0.000 0.501 173 Y N 3.564 123.466 120.300 -0.664 0.000 2.553 173 Y HA 0.671 5.219 4.550 -0.003 0.000 0.347 173 Y C -0.442 175.086 175.900 -0.621 0.000 1.019 173 Y CA -0.922 56.743 58.100 -0.725 0.000 1.032 173 Y CB 2.097 39.873 38.460 -1.140 0.000 1.284 173 Y HN 0.098 nan 8.280 nan 0.000 0.466 174 V N 2.183 122.009 119.914 -0.146 0.000 2.760 174 V HA 0.472 4.590 4.120 -0.004 0.000 0.309 174 V C -1.019 175.199 176.094 0.206 0.000 1.077 174 V CA -1.449 60.872 62.300 0.036 0.000 0.910 174 V CB 2.142 34.012 31.823 0.079 0.000 1.008 174 V HN 0.614 nan 8.190 nan 0.000 0.424 175 K N 4.138 124.676 120.400 0.228 0.000 2.358 175 K HA 0.536 4.853 4.320 -0.004 0.000 0.260 175 K C 0.309 177.057 176.600 0.246 0.000 0.956 175 K CA -0.763 55.657 56.287 0.221 0.000 0.834 175 K CB 2.049 34.635 32.500 0.143 0.000 1.102 175 K HN 0.422 nan 8.250 nan 0.000 0.431 176 I N 1.100 121.839 120.570 0.281 0.000 2.406 176 I HA -0.045 4.123 4.170 -0.004 0.000 0.249 176 I C 0.305 176.556 176.117 0.223 0.000 1.122 176 I CA 1.363 62.805 61.300 0.237 0.000 1.431 176 I CB -0.202 37.939 38.000 0.236 0.000 1.087 176 I HN 0.567 nan 8.210 nan 0.000 0.424 177 E N 0.053 120.352 120.200 0.165 0.000 2.272 177 E HA 0.272 4.620 4.350 -0.004 0.000 0.269 177 E C -1.904 174.669 176.600 -0.046 0.000 0.877 177 E CA -1.940 54.508 56.400 0.080 0.000 0.755 177 E CB 1.954 31.701 29.700 0.078 0.000 1.192 177 E HN -0.162 nan 8.360 nan 0.000 0.422 178 P HA -0.215 nan 4.420 nan 0.000 0.218 178 P C 0.782 177.997 177.300 -0.142 0.000 1.150 178 P CA 1.498 64.435 63.100 -0.272 0.000 0.841 178 P CB 0.279 31.579 31.700 -0.666 0.000 0.784 179 N N -1.628 117.013 118.700 -0.099 0.000 2.203 179 N HA 0.036 4.774 4.740 -0.004 0.000 0.207 179 N C 0.062 175.553 175.510 -0.031 0.000 1.130 179 N CA 0.116 53.140 53.050 -0.044 0.000 0.861 179 N CB -0.056 38.425 38.487 -0.010 0.000 1.005 179 N HN 0.170 nan 8.380 nan 0.000 0.507 180 L N 0.461 121.668 121.223 -0.027 0.000 2.365 180 L HA 0.560 4.897 4.340 -0.004 0.000 0.267 180 L C -2.274 174.560 176.870 -0.060 0.000 1.033 180 L CA -2.272 52.553 54.840 -0.025 0.000 0.802 180 L CB 1.158 43.225 42.059 0.012 0.000 1.267 180 L HN -0.205 nan 8.230 nan 0.000 0.457 181 P HA 0.065 nan 4.420 nan 0.000 0.269 181 P C -0.906 176.249 177.300 -0.241 0.000 1.209 181 P CA -0.030 62.974 63.100 -0.160 0.000 0.776 181 P CB 0.626 32.217 31.700 -0.182 0.000 0.876 182 S N 1.113 116.718 115.700 -0.159 0.000 2.617 182 S HA 0.319 4.787 4.470 -0.004 0.000 0.269 182 S C -0.561 173.899 174.600 -0.233 0.000 1.292 182 S CA -0.084 58.062 58.200 -0.089 0.000 1.010 182 S CB -0.014 63.234 63.200 0.081 0.000 0.944 182 S HN 0.250 nan 8.310 nan 0.000 0.536 183 Y N 1.035 121.359 120.300 0.041 0.000 2.331 183 Y HA 0.402 4.949 4.550 -0.003 0.000 0.338 183 Y C 0.619 176.440 175.900 -0.132 0.000 0.976 183 Y CA -0.676 57.424 58.100 0.001 0.000 1.137 183 Y CB 0.777 39.237 38.460 -0.001 0.000 1.172 183 Y HN 0.512 nan 8.280 nan 0.000 0.478 184 R N 3.345 123.774 120.500 -0.119 0.000 2.389 184 R HA 0.214 4.552 4.340 -0.004 0.000 0.295 184 R C 0.122 176.017 176.300 -0.675 0.000 1.075 184 R CA -0.045 55.628 56.100 -0.712 0.000 1.005 184 R CB 0.375 30.115 30.300 -0.933 0.000 0.987 184 R HN 0.746 nan 8.270 nan 0.000 0.452 185 I N 2.123 122.219 120.570 -0.790 0.000 2.927 185 I HA 0.008 4.176 4.170 -0.004 0.000 0.268 185 I C 0.974 176.806 176.117 -0.475 0.000 1.153 185 I CA 0.858 61.861 61.300 -0.494 0.000 1.459 185 I CB -0.624 37.078 38.000 -0.496 0.000 1.149 185 I HN 0.691 nan 8.210 nan 0.000 0.443 186 T N -4.026 110.080 114.554 -0.747 0.000 2.906 186 T HA 0.392 4.740 4.350 -0.004 0.000 0.295 186 T C -0.145 174.211 174.700 -0.573 0.000 1.061 186 T CA -0.545 61.289 62.100 -0.443 0.000 1.000 186 T CB 2.205 70.817 68.868 -0.426 0.000 1.103 186 T HN 0.222 nan 8.240 nan 0.000 0.486 187 W N 0.495 121.679 121.300 -0.194 0.000 2.534 187 W HA 0.097 4.755 4.660 -0.003 0.000 0.339 187 W C 1.711 178.168 176.519 -0.103 0.000 0.961 187 W CA 0.176 57.442 57.345 -0.131 0.000 1.545 187 W CB 0.473 29.879 29.460 -0.090 0.000 1.104 187 W HN 0.948 nan 8.180 nan 0.000 0.538 188 T N -1.796 112.799 114.554 0.068 0.000 3.088 188 T HA 0.105 4.453 4.350 -0.004 0.000 0.259 188 T C 1.364 176.048 174.700 -0.025 0.000 1.122 188 T CA 0.464 62.582 62.100 0.030 0.000 1.095 188 T CB -0.267 68.616 68.868 0.025 0.000 0.930 188 T HN -0.023 nan 8.240 nan 0.000 0.508 189 G N 1.258 110.008 108.800 -0.084 0.000 2.163 189 G HA2 0.232 4.189 3.960 -0.004 0.000 0.239 189 G HA3 0.232 4.189 3.960 -0.004 0.000 0.239 189 G C -0.494 174.333 174.900 -0.122 0.000 1.148 189 G CA -0.239 44.787 45.100 -0.124 0.000 0.880 189 G HN 0.576 nan 8.290 nan 0.000 0.466 190 K N 1.900 122.206 120.400 -0.158 0.000 2.651 190 K HA 0.116 4.434 4.320 -0.004 0.000 0.259 190 K C -0.129 176.334 176.600 -0.228 0.000 1.017 190 K CA -0.621 55.575 56.287 -0.152 0.000 0.897 190 K CB 1.289 33.739 32.500 -0.084 0.000 1.262 190 K HN 0.715 nan 8.250 nan 0.000 0.460 191 E N 3.527 123.600 120.200 -0.212 0.000 2.765 191 E HA -0.194 4.154 4.350 -0.004 0.000 0.256 191 E C -0.501 175.987 176.600 -0.186 0.000 0.935 191 E CA 1.141 57.413 56.400 -0.214 0.000 0.954 191 E CB 0.224 29.841 29.700 -0.138 0.000 0.908 191 E HN 0.632 nan 8.360 nan 0.000 0.500 192 D N 2.449 122.707 120.400 -0.236 0.000 3.006 192 D HA -0.242 4.395 4.640 -0.004 0.000 0.208 192 D C 0.623 176.932 176.300 0.016 0.000 1.116 192 D CA 1.437 55.424 54.000 -0.022 0.000 0.998 192 D CB -0.461 40.381 40.800 0.071 0.000 1.124 192 D HN 0.434 nan 8.370 nan 0.000 0.413 193 I N -0.867 119.622 120.570 -0.135 0.000 3.518 193 I HA 0.100 4.268 4.170 -0.004 0.000 0.260 193 I C 0.821 176.985 176.117 0.078 0.000 1.148 193 I CA 0.436 61.752 61.300 0.027 0.000 1.440 193 I CB 0.127 38.132 38.000 0.007 0.000 1.485 193 I HN -0.128 nan 8.210 nan 0.000 0.456 194 I N 1.778 122.309 120.570 -0.064 0.000 2.389 194 I HA 0.263 4.431 4.170 -0.004 0.000 0.288 194 I C -1.246 174.852 176.117 -0.032 0.000 0.999 194 I CA -0.643 60.693 61.300 0.058 0.000 1.129 194 I CB 0.879 38.899 38.000 0.033 0.000 1.288 194 I HN 0.027 nan 8.210 nan 0.000 0.444 195 Y N 4.708 125.091 120.300 0.138 0.000 2.334 195 Y HA 0.411 4.959 4.550 -0.004 0.000 0.336 195 Y C 0.412 176.355 175.900 0.072 0.000 0.960 195 Y CA -0.808 57.369 58.100 0.129 0.000 1.164 195 Y CB 0.992 39.603 38.460 0.253 0.000 1.155 195 Y HN 0.409 nan 8.280 nan 0.000 0.478 196 N N 2.063 120.809 118.700 0.076 0.000 2.424 196 N HA 0.346 5.084 4.740 -0.004 0.000 0.271 196 N C 0.857 176.278 175.510 -0.149 0.000 0.985 196 N CA 0.414 53.427 53.050 -0.062 0.000 0.921 196 N CB 1.909 40.260 38.487 -0.227 0.000 1.149 196 N HN 0.970 nan 8.380 nan 0.000 0.492 197 G N 1.562 110.283 108.800 -0.131 0.000 2.184 197 G HA2 -0.257 3.701 3.960 -0.004 0.000 0.264 197 G HA3 -0.257 3.701 3.960 -0.004 0.000 0.264 197 G C 0.114 174.857 174.900 -0.262 0.000 0.975 197 G CA 0.863 45.827 45.100 -0.227 0.000 0.642 197 G HN 0.684 nan 8.290 nan 0.000 0.536 198 I N -2.249 118.240 120.570 -0.134 0.000 2.894 198 I HA 0.770 4.938 4.170 -0.004 0.000 0.302 198 I C 0.233 176.386 176.117 0.060 0.000 1.188 198 I CA -0.658 60.482 61.300 -0.266 0.000 1.014 198 I CB 1.961 39.633 38.000 -0.547 0.000 1.242 198 I HN 0.180 nan 8.210 nan 0.000 0.430 199 T N -0.122 114.405 114.554 -0.044 0.000 2.882 199 T HA 0.346 4.693 4.350 -0.004 0.000 0.287 199 T C -0.090 174.433 174.700 -0.296 0.000 1.014 199 T CA -0.590 61.379 62.100 -0.220 0.000 1.049 199 T CB 1.194 69.995 68.868 -0.112 0.000 1.001 199 T HN 0.767 nan 8.240 nan 0.000 0.525 200 D N 0.556 120.529 120.400 -0.712 0.000 2.478 200 D HA 0.028 4.666 4.640 -0.004 0.000 0.274 200 D C 0.975 177.211 176.300 -0.107 0.000 1.234 200 D CA -1.074 52.493 54.000 -0.721 0.000 1.069 200 D CB 0.100 40.438 40.800 -0.769 0.000 1.113 200 D HN 0.718 nan 8.370 nan 0.000 0.571 201 W N -0.005 121.250 121.300 -0.076 0.000 2.333 201 W HA -0.203 4.455 4.660 -0.004 0.000 0.316 201 W C 2.192 178.617 176.519 -0.156 0.000 1.215 201 W CA 2.175 59.478 57.345 -0.069 0.000 1.278 201 W CB -0.435 28.923 29.460 -0.170 0.000 1.154 201 W HN 0.177 nan 8.180 nan 0.000 0.486 202 V N -0.063 119.969 119.914 0.197 0.000 2.427 202 V HA -0.292 3.826 4.120 -0.004 0.000 0.248 202 V C 1.853 177.796 176.094 -0.253 0.000 1.051 202 V CA 1.989 64.274 62.300 -0.025 0.000 1.048 202 V CB -0.733 31.050 31.823 -0.067 0.000 0.666 202 V HN 0.312 nan 8.190 nan 0.000 0.456 203 Y N 0.597 120.736 120.300 -0.268 0.000 2.263 203 Y HA -0.160 4.388 4.550 -0.004 0.000 0.292 203 Y C 2.588 178.398 175.900 -0.150 0.000 1.130 203 Y CA 2.092 60.038 58.100 -0.256 0.000 1.179 203 Y CB -0.047 38.106 38.460 -0.512 0.000 0.998 203 Y HN 0.389 nan 8.280 nan 0.000 0.532 204 E N 0.362 120.537 120.200 -0.043 0.000 2.051 204 E HA -0.294 4.054 4.350 -0.004 0.000 0.192 204 E C 2.007 178.574 176.600 -0.055 0.000 0.991 204 E CA 1.607 58.010 56.400 0.003 0.000 0.799 204 E CB 0.003 29.706 29.700 0.005 0.000 0.748 204 E HN 0.445 nan 8.360 nan 0.000 0.449 205 E N 0.377 120.360 120.200 -0.362 0.000 2.033 205 E HA -0.147 4.201 4.350 -0.004 0.000 0.189 205 E C 1.797 178.288 176.600 -0.182 0.000 0.979 205 E CA 1.554 57.725 56.400 -0.381 0.000 0.802 205 E CB 0.057 29.187 29.700 -0.950 0.000 0.763 205 E HN 0.207 nan 8.360 nan 0.000 0.449 206 E N -0.465 119.605 120.200 -0.216 0.000 2.400 206 E HA 0.052 4.400 4.350 -0.004 0.000 0.195 206 E C 1.774 178.253 176.600 -0.202 0.000 1.012 206 E CA 0.462 56.783 56.400 -0.132 0.000 0.875 206 E CB 0.896 30.520 29.700 -0.127 0.000 0.859 206 E HN 0.233 nan 8.360 nan 0.000 0.498 207 V N -0.754 118.997 119.914 -0.272 0.000 2.840 207 V HA 0.057 4.175 4.120 -0.004 0.000 0.234 207 V C 1.406 177.251 176.094 -0.415 0.000 1.159 207 V CA 0.599 62.655 62.300 -0.406 0.000 1.194 207 V CB -0.218 31.248 31.823 -0.594 0.000 0.971 207 V HN 0.021 nan 8.190 nan 0.000 0.494 208 F N 0.395 120.368 119.950 0.038 0.000 2.714 208 F HA 0.317 4.842 4.527 -0.004 0.000 0.294 208 F C 1.626 177.400 175.800 -0.043 0.000 1.120 208 F CA 0.373 58.407 58.000 0.056 0.000 1.398 208 F CB 0.002 39.077 39.000 0.126 0.000 1.120 208 F HN 0.061 nan 8.300 nan 0.000 0.589 209 S N 0.289 116.016 115.700 0.045 0.000 3.587 209 S HA -0.041 4.427 4.470 -0.004 0.000 0.337 209 S C 0.060 174.249 174.600 -0.684 0.000 1.119 209 S CA 0.429 58.532 58.200 -0.161 0.000 0.976 209 S CB -1.573 61.582 63.200 -0.075 0.000 0.922 209 S HN 0.623 nan 8.310 nan 0.000 0.503 210 A N -0.687 121.968 122.820 -0.274 0.000 2.610 210 A HA 0.753 5.070 4.320 -0.004 0.000 0.291 210 A C -0.359 177.195 177.584 -0.049 0.000 1.086 210 A CA -0.421 51.454 52.037 -0.271 0.000 0.677 210 A CB 0.416 19.274 19.000 -0.236 0.000 1.278 210 A HN 0.373 nan 8.150 nan 0.000 0.414 211 Y N 1.309 121.419 120.300 -0.315 0.000 2.479 211 Y HA 0.199 4.747 4.550 -0.004 0.000 0.283 211 Y C 1.480 177.077 175.900 -0.505 0.000 1.109 211 Y CA 0.587 58.522 58.100 -0.276 0.000 1.239 211 Y CB -0.049 38.296 38.460 -0.192 0.000 1.108 211 Y HN 0.755 nan 8.280 nan 0.000 0.548 212 S N 0.773 115.899 115.700 -0.957 0.000 2.576 212 S HA 0.536 5.004 4.470 -0.004 0.000 0.276 212 S C 0.255 174.316 174.600 -0.899 0.000 1.339 212 S CA -0.079 57.353 58.200 -1.280 0.000 1.039 212 S CB 1.422 63.392 63.200 -2.050 0.000 0.902 212 S HN 0.481 nan 8.310 nan 0.000 0.516 213 A N 2.223 124.528 122.820 -0.857 0.000 3.045 213 A HA 0.534 4.852 4.320 -0.004 0.000 0.244 213 A C -0.584 176.354 177.584 -1.078 0.000 0.917 213 A CA -0.707 50.757 52.037 -0.955 0.000 1.075 213 A CB -0.578 18.270 19.000 -0.253 0.000 1.202 213 A HN 1.128 nan 8.150 nan 0.000 0.486 214 L N -4.823 115.627 121.223 -1.288 0.000 2.409 214 L HA 0.920 5.258 4.340 -0.004 0.000 0.262 214 L C -1.284 175.139 176.870 -0.744 0.000 0.992 214 L CA -1.274 53.150 54.840 -0.693 0.000 0.817 214 L CB 1.077 42.918 42.059 -0.364 0.000 1.350 214 L HN 0.226 nan 8.230 nan 0.000 0.411 215 W N 1.621 122.963 121.300 0.069 0.000 2.687 215 W HA 0.322 4.980 4.660 -0.003 0.000 0.328 215 W C -1.537 175.223 176.519 0.401 0.000 1.012 215 W CA -0.724 56.786 57.345 0.275 0.000 1.262 215 W CB 1.582 31.255 29.460 0.355 0.000 1.331 215 W HN 0.618 nan 8.180 nan 0.000 0.433 216 W N 2.550 124.077 121.300 0.378 0.000 2.190 216 W HA 0.218 4.875 4.660 -0.004 0.000 0.330 216 W C 1.317 177.704 176.519 -0.220 0.000 1.299 216 W CA 0.319 57.753 57.345 0.149 0.000 1.215 216 W CB 0.835 30.345 29.460 0.084 0.000 1.147 216 W HN 0.185 nan 8.180 nan 0.000 0.563 217 S N 2.742 118.217 115.700 -0.375 0.000 2.600 217 S HA 0.160 4.627 4.470 -0.004 0.000 0.265 217 S C -1.728 172.592 174.600 -0.466 0.000 1.325 217 S CA -0.989 56.378 58.200 -1.389 0.000 1.002 217 S CB 0.942 63.404 63.200 -1.230 0.000 0.921 217 S HN 0.299 nan 8.310 nan 0.000 0.554 218 P HA -0.198 nan 4.420 nan 0.000 0.217 218 P C 0.904 178.161 177.300 -0.073 0.000 1.158 218 P CA 1.871 64.914 63.100 -0.093 0.000 0.887 218 P CB -0.219 31.469 31.700 -0.020 0.000 0.792 219 N N -2.218 116.428 118.700 -0.090 0.000 2.270 219 N HA 0.134 4.872 4.740 -0.004 0.000 0.198 219 N C 1.080 176.516 175.510 -0.123 0.000 1.117 219 N CA 0.549 53.548 53.050 -0.085 0.000 0.845 219 N CB -0.674 37.779 38.487 -0.057 0.000 0.980 219 N HN 0.208 nan 8.380 nan 0.000 0.486 220 G N -1.055 107.680 108.800 -0.109 0.000 2.159 220 G HA2 -0.336 3.622 3.960 -0.004 0.000 0.256 220 G HA3 -0.336 3.622 3.960 -0.004 0.000 0.256 220 G C 0.949 175.893 174.900 0.072 0.000 0.977 220 G CA 0.751 45.797 45.100 -0.091 0.000 0.652 220 G HN 0.376 nan 8.290 nan 0.000 0.531 221 T N 0.025 114.554 114.554 -0.042 0.000 2.701 221 T HA 0.205 4.553 4.350 -0.004 0.000 0.263 221 T C 0.879 175.487 174.700 -0.153 0.000 1.040 221 T CA 1.259 63.249 62.100 -0.184 0.000 1.147 221 T CB -0.091 68.519 68.868 -0.428 0.000 0.865 221 T HN 0.269 nan 8.240 nan 0.000 0.426 222 F N 0.537 120.535 119.950 0.079 0.000 2.397 222 F HA 0.605 5.130 4.527 -0.004 0.000 0.331 222 F C -0.160 175.734 175.800 0.156 0.000 1.090 222 F CA -1.567 56.517 58.000 0.139 0.000 1.065 222 F CB 0.998 40.148 39.000 0.249 0.000 1.184 222 F HN -0.068 nan 8.300 nan 0.000 0.499 223 L N 2.900 124.300 121.223 0.295 0.000 2.372 223 L HA 0.816 5.154 4.340 -0.004 0.000 0.274 223 L C -0.723 176.244 176.870 0.160 0.000 0.988 223 L CA -0.501 54.333 54.840 -0.009 0.000 0.833 223 L CB 0.874 42.648 42.059 -0.475 0.000 1.236 223 L HN 0.659 nan 8.230 nan 0.000 0.410 224 A N 4.513 127.486 122.820 0.255 0.000 2.320 224 A HA 0.876 5.194 4.320 -0.004 0.000 0.334 224 A C -1.479 176.165 177.584 0.100 0.000 1.147 224 A CA -0.272 51.767 52.037 0.003 0.000 0.820 224 A CB 0.881 19.905 19.000 0.041 0.000 1.218 224 A HN 0.925 nan 8.150 nan 0.000 0.482 225 Y N -2.421 117.661 120.300 -0.363 0.000 2.677 225 Y HA 0.747 5.295 4.550 -0.003 0.000 0.334 225 Y C -0.429 175.351 175.900 -0.200 0.000 1.196 225 Y CA -0.907 57.105 58.100 -0.146 0.000 1.059 225 Y CB 0.772 39.097 38.460 -0.225 0.000 1.315 225 Y HN 1.001 nan 8.280 nan 0.000 0.455 226 A N 1.592 124.503 122.820 0.150 0.000 2.337 226 A HA 0.710 5.028 4.320 -0.004 0.000 0.331 226 A C -1.282 176.168 177.584 -0.223 0.000 1.137 226 A CA -0.850 51.128 52.037 -0.099 0.000 0.807 226 A CB 1.839 20.683 19.000 -0.260 0.000 1.250 226 A HN 0.790 nan 8.150 nan 0.000 0.468 227 Q N 1.178 120.792 119.800 -0.310 0.000 2.310 227 Q HA 0.590 4.928 4.340 -0.004 0.000 0.270 227 Q C -2.071 173.730 176.000 -0.332 0.000 1.025 227 Q CA -0.354 55.364 55.803 -0.142 0.000 0.772 227 Q CB 1.014 29.880 28.738 0.215 0.000 1.253 227 Q HN 0.592 nan 8.270 nan 0.000 0.450 228 F N 2.352 122.394 119.950 0.153 0.000 2.443 228 F HA 0.429 4.954 4.527 -0.004 0.000 0.335 228 F C 0.439 176.389 175.800 0.249 0.000 1.104 228 F CA -0.891 57.184 58.000 0.126 0.000 1.013 228 F CB 1.389 40.378 39.000 -0.018 0.000 1.136 228 F HN 0.428 nan 8.300 nan 0.000 0.470 229 N N 1.904 120.836 118.700 0.386 0.000 2.443 229 N HA 0.231 4.969 4.740 -0.004 0.000 0.269 229 N C -1.022 174.668 175.510 0.300 0.000 0.985 229 N CA -0.333 52.901 53.050 0.306 0.000 0.921 229 N CB 1.228 39.841 38.487 0.210 0.000 1.195 229 N HN 0.574 nan 8.380 nan 0.000 0.492 230 D N 1.433 122.027 120.400 0.324 0.000 2.462 230 D HA 0.140 4.778 4.640 -0.004 0.000 0.221 230 D C 1.183 177.601 176.300 0.197 0.000 1.173 230 D CA 0.067 54.234 54.000 0.279 0.000 0.831 230 D CB 0.614 41.638 40.800 0.374 0.000 1.001 230 D HN 0.472 nan 8.370 nan 0.000 0.499 231 T N 0.339 114.990 114.554 0.161 0.000 2.649 231 T HA -0.241 4.107 4.350 -0.004 0.000 0.268 231 T C 1.405 176.162 174.700 0.094 0.000 1.036 231 T CA 1.409 63.576 62.100 0.112 0.000 1.157 231 T CB -0.075 68.848 68.868 0.092 0.000 0.861 231 T HN 0.299 nan 8.240 nan 0.000 0.445 232 E N 0.189 120.446 120.200 0.095 0.000 2.476 232 E HA 0.173 4.521 4.350 -0.004 0.000 0.196 232 E C -0.415 176.233 176.600 0.080 0.000 1.029 232 E CA -0.260 56.185 56.400 0.075 0.000 0.896 232 E CB 0.547 30.285 29.700 0.063 0.000 1.012 232 E HN 0.195 nan 8.360 nan 0.000 0.475 233 V N 3.760 123.736 119.914 0.103 0.000 2.479 233 V HA 0.073 4.190 4.120 -0.004 0.000 0.281 233 V C -2.004 174.145 176.094 0.091 0.000 1.031 233 V CA -1.396 60.967 62.300 0.106 0.000 1.038 233 V CB 0.270 32.175 31.823 0.137 0.000 0.981 233 V HN 0.063 nan 8.190 nan 0.000 0.478 234 P HA 0.228 nan 4.420 nan 0.000 0.269 234 P C -0.741 176.592 177.300 0.055 0.000 1.215 234 P CA -0.186 62.947 63.100 0.055 0.000 0.780 234 P CB 0.505 32.235 31.700 0.050 0.000 0.898 235 L N 2.082 123.315 121.223 0.017 0.000 2.325 235 L HA 0.468 4.806 4.340 -0.004 0.000 0.278 235 L C 0.239 177.055 176.870 -0.091 0.000 1.023 235 L CA -0.960 53.873 54.840 -0.012 0.000 0.811 235 L CB 1.168 43.218 42.059 -0.014 0.000 1.249 235 L HN 0.285 nan 8.230 nan 0.000 0.431 236 I N 2.227 122.693 120.570 -0.174 0.000 2.396 236 I HA 0.294 4.462 4.170 -0.004 0.000 0.292 236 I C -0.437 175.539 176.117 -0.235 0.000 0.999 236 I CA 0.084 61.175 61.300 -0.348 0.000 1.310 236 I CB 0.867 38.383 38.000 -0.805 0.000 1.404 236 I HN 0.582 nan 8.210 nan 0.000 0.496 237 E N 7.363 127.445 120.200 -0.196 0.000 2.256 237 E HA 0.520 4.868 4.350 -0.004 0.000 0.268 237 E C -1.805 174.742 176.600 -0.087 0.000 0.877 237 E CA -0.583 55.708 56.400 -0.182 0.000 0.757 237 E CB 2.135 31.749 29.700 -0.144 0.000 1.183 237 E HN 0.569 nan 8.360 nan 0.000 0.418 238 Y N -1.766 118.446 120.300 -0.146 0.000 2.609 238 Y HA 0.554 5.102 4.550 -0.004 0.000 0.336 238 Y C -0.780 175.048 175.900 -0.120 0.000 1.129 238 Y CA -1.238 56.782 58.100 -0.133 0.000 1.040 238 Y CB 0.834 39.224 38.460 -0.118 0.000 1.310 238 Y HN 0.219 nan 8.280 nan 0.000 0.460 239 S N 1.740 117.409 115.700 -0.053 0.000 2.584 239 S HA 0.524 4.992 4.470 -0.004 0.000 0.273 239 S C -1.467 172.976 174.600 -0.261 0.000 1.311 239 S CA -0.400 57.626 58.200 -0.290 0.000 1.034 239 S CB 0.603 63.477 63.200 -0.544 0.000 0.939 239 S HN 0.539 nan 8.310 nan 0.000 0.513 240 F N 2.161 121.841 119.950 -0.449 0.000 2.499 240 F HA 0.427 4.951 4.527 -0.004 0.000 0.333 240 F C -0.301 175.283 175.800 -0.360 0.000 1.138 240 F CA -0.934 56.915 58.000 -0.252 0.000 0.945 240 F CB 0.741 39.699 39.000 -0.069 0.000 1.181 240 F HN 0.648 nan 8.300 nan 0.000 0.435 241 Y N 2.721 122.795 120.300 -0.377 0.000 2.420 241 Y HA 0.100 4.648 4.550 -0.004 0.000 0.292 241 Y C 1.750 177.570 175.900 -0.133 0.000 1.119 241 Y CA 1.116 59.094 58.100 -0.204 0.000 1.229 241 Y CB -0.621 37.715 38.460 -0.207 0.000 1.026 241 Y HN 0.724 nan 8.280 nan 0.000 0.554 242 S N -0.221 115.386 115.700 -0.155 0.000 3.381 242 S HA -0.228 4.240 4.470 -0.004 0.000 0.636 242 S C -0.536 174.116 174.600 0.087 0.000 2.614 242 S CA 0.268 58.541 58.200 0.122 0.000 2.810 242 S CB -1.133 62.239 63.200 0.287 0.000 0.331 242 S HN 0.458 nan 8.310 nan 0.000 1.788 243 D N 1.587 122.054 120.400 0.112 0.000 2.419 243 D HA 0.160 4.798 4.640 -0.004 0.000 0.236 243 D C 1.393 177.727 176.300 0.057 0.000 1.165 243 D CA 0.445 54.489 54.000 0.075 0.000 0.882 243 D CB 0.145 40.989 40.800 0.074 0.000 1.201 243 D HN 0.592 nan 8.370 nan 0.000 0.443 244 E N 0.484 120.705 120.200 0.035 0.000 2.187 244 E HA -0.247 4.101 4.350 -0.004 0.000 0.199 244 E C 1.542 178.155 176.600 0.022 0.000 1.004 244 E CA 1.404 57.816 56.400 0.019 0.000 0.813 244 E CB 0.136 29.841 29.700 0.009 0.000 0.736 244 E HN 0.474 nan 8.360 nan 0.000 0.468 245 S N 0.149 115.868 115.700 0.032 0.000 2.474 245 S HA -0.135 4.333 4.470 -0.004 0.000 0.235 245 S C 0.931 175.555 174.600 0.040 0.000 0.997 245 S CA 0.005 58.223 58.200 0.031 0.000 0.949 245 S CB -0.169 63.052 63.200 0.035 0.000 0.766 245 S HN 0.207 nan 8.310 nan 0.000 0.517 246 L N 2.590 123.845 121.223 0.054 0.000 2.456 246 L HA 0.276 4.614 4.340 -0.004 0.000 0.277 246 L C 1.411 178.310 176.870 0.048 0.000 1.124 246 L CA 0.103 54.985 54.840 0.070 0.000 0.880 246 L CB 0.537 42.653 42.059 0.095 0.000 1.192 246 L HN 0.297 nan 8.230 nan 0.000 0.463 247 Q N 4.102 123.930 119.800 0.047 0.000 2.016 247 Q HA -0.114 4.224 4.340 -0.004 0.000 0.200 247 Q C -0.428 175.482 176.000 -0.150 0.000 0.978 247 Q CA 1.456 57.232 55.803 -0.044 0.000 0.833 247 Q CB 0.040 28.770 28.738 -0.014 0.000 0.895 247 Q HN 0.672 nan 8.270 nan 0.000 0.427 248 Y N 0.740 121.051 120.300 0.019 0.000 2.330 248 Y HA 0.371 4.919 4.550 -0.004 0.000 0.336 248 Y C -1.992 173.913 175.900 0.008 0.000 1.036 248 Y CA -2.830 55.276 58.100 0.011 0.000 1.125 248 Y CB 1.239 39.698 38.460 -0.002 0.000 1.194 248 Y HN 0.197 nan 8.280 nan 0.000 0.469 249 P HA 0.059 nan 4.420 nan 0.000 0.269 249 P C -0.929 176.371 177.300 0.000 0.000 1.215 249 P CA -0.552 62.555 63.100 0.012 0.000 0.780 249 P CB 0.659 32.309 31.700 -0.083 0.000 0.898 250 K N 1.020 121.402 120.400 -0.029 0.000 2.130 250 K HA 0.350 4.668 4.320 -0.004 0.000 0.268 250 K C -0.741 175.805 176.600 -0.091 0.000 0.983 250 K CA -0.318 55.957 56.287 -0.018 0.000 0.893 250 K CB 0.535 33.062 32.500 0.044 0.000 1.066 250 K HN 0.304 nan 8.250 nan 0.000 0.450 251 T N 3.366 117.855 114.554 -0.108 0.000 2.753 251 T HA 0.201 4.549 4.350 -0.004 0.000 0.297 251 T C -0.579 173.990 174.700 -0.217 0.000 0.981 251 T CA -0.566 61.433 62.100 -0.168 0.000 0.956 251 T CB 0.807 69.595 68.868 -0.133 0.000 0.936 251 T HN 0.297 nan 8.240 nan 0.000 0.463 252 V N 5.842 125.531 119.914 -0.376 0.000 2.530 252 V HA 0.369 4.487 4.120 -0.004 0.000 0.282 252 V C 0.499 176.347 176.094 -0.411 0.000 1.048 252 V CA -0.300 61.742 62.300 -0.430 0.000 0.997 252 V CB 0.681 32.097 31.823 -0.679 0.000 0.987 252 V HN 0.702 nan 8.190 nan 0.000 0.477 253 R N 3.545 123.930 120.500 -0.193 0.000 2.451 253 R HA 0.711 5.049 4.340 -0.004 0.000 0.307 253 R C -1.338 174.962 176.300 0.000 0.000 0.965 253 R CA -0.531 55.499 56.100 -0.116 0.000 0.865 253 R CB 2.234 32.489 30.300 -0.076 0.000 1.174 253 R HN 0.521 nan 8.270 nan 0.000 0.455 254 V N 3.530 123.445 119.914 0.002 0.000 2.686 254 V HA 0.490 4.608 4.120 -0.004 0.000 0.306 254 V C -2.698 173.449 176.094 0.088 0.000 1.065 254 V CA -2.701 59.664 62.300 0.108 0.000 0.894 254 V CB 2.491 34.403 31.823 0.148 0.000 1.004 254 V HN 0.524 nan 8.190 nan 0.000 0.424 255 P HA 0.180 nan 4.420 nan 0.000 0.261 255 P C -1.731 175.670 177.300 0.169 0.000 1.203 255 P CA 0.671 63.878 63.100 0.178 0.000 0.767 255 P CB -0.338 31.518 31.700 0.260 0.000 0.785 256 Y N 6.491 126.759 120.300 -0.053 0.000 2.301 256 Y HA 0.353 4.901 4.550 -0.004 0.000 0.325 256 Y C -2.704 173.156 175.900 -0.067 0.000 1.103 256 Y CA -2.837 55.177 58.100 -0.144 0.000 1.182 256 Y CB 1.751 39.992 38.460 -0.364 0.000 1.139 256 Y HN 0.281 nan 8.280 nan 0.000 0.443 257 P HA 0.216 nan 4.420 nan 0.000 0.284 257 P C -0.811 176.526 177.300 0.061 0.000 1.343 257 P CA -0.097 63.029 63.100 0.044 0.000 0.826 257 P CB 1.142 32.856 31.700 0.024 0.000 0.956 258 K N 2.107 122.626 120.400 0.199 0.000 2.118 258 K HA 0.463 4.781 4.320 -0.004 0.000 0.240 258 K C 0.656 177.346 176.600 0.150 0.000 1.035 258 K CA -0.671 55.751 56.287 0.225 0.000 0.899 258 K CB 0.497 33.143 32.500 0.243 0.000 1.085 258 K HN 0.439 nan 8.250 nan 0.000 0.498 259 A N 0.579 123.511 122.820 0.186 0.000 2.566 259 A HA 0.289 4.607 4.320 -0.004 0.000 0.245 259 A C 1.189 178.801 177.584 0.047 0.000 1.056 259 A CA 0.957 53.089 52.037 0.159 0.000 0.757 259 A CB -1.101 18.067 19.000 0.281 0.000 0.979 259 A HN 0.894 nan 8.150 nan 0.000 0.508 260 G N 0.917 109.737 108.800 0.035 0.000 2.205 260 G HA2 0.091 4.048 3.960 -0.004 0.000 0.261 260 G HA3 0.091 4.048 3.960 -0.004 0.000 0.261 260 G C 0.693 175.602 174.900 0.015 0.000 0.980 260 G CA 0.782 45.878 45.100 -0.006 0.000 0.632 260 G HN 2.180 nan 8.290 nan 0.000 0.533 261 A N -0.333 122.511 122.820 0.041 0.000 2.259 261 A HA 0.725 5.042 4.320 -0.004 0.000 0.278 261 A C 0.835 178.448 177.584 0.048 0.000 1.107 261 A CA 0.310 52.376 52.037 0.048 0.000 0.828 261 A CB 0.714 19.756 19.000 0.070 0.000 1.111 261 A HN 1.151 nan 8.150 nan 0.000 0.498 262 V N 2.716 122.659 119.914 0.049 0.000 2.485 262 V HA 0.017 4.134 4.120 -0.004 0.000 0.287 262 V C 0.313 176.448 176.094 0.070 0.000 1.022 262 V CA -0.092 62.238 62.300 0.051 0.000 1.067 262 V CB -0.413 31.441 31.823 0.052 0.000 0.967 262 V HN 0.791 nan 8.190 nan 0.000 0.479 263 N N 6.770 125.510 118.700 0.067 0.000 2.463 263 N HA 0.454 5.192 4.740 -0.004 0.000 0.270 263 N C -2.298 173.292 175.510 0.133 0.000 1.205 263 N CA -1.433 51.679 53.050 0.104 0.000 0.974 263 N CB 0.971 39.514 38.487 0.093 0.000 1.197 263 N HN 0.395 nan 8.380 nan 0.000 0.504 264 P HA 0.132 nan 4.420 nan 0.000 0.276 264 P C -0.472 176.983 177.300 0.258 0.000 1.244 264 P CA -0.198 63.053 63.100 0.253 0.000 0.801 264 P CB 0.576 32.471 31.700 0.325 0.000 1.006 265 T N -1.754 112.936 114.554 0.225 0.000 2.948 265 T HA 0.628 4.976 4.350 -0.004 0.000 0.285 265 T C -0.245 174.599 174.700 0.240 0.000 1.019 265 T CA -0.818 61.377 62.100 0.159 0.000 1.013 265 T CB 1.458 70.384 68.868 0.096 0.000 1.117 265 T HN 0.375 nan 8.240 nan 0.000 0.533 266 V N -0.119 119.912 119.914 0.195 0.000 3.114 266 V HA 0.800 4.918 4.120 -0.004 0.000 0.308 266 V C -1.796 174.391 176.094 0.156 0.000 1.168 266 V CA -0.903 61.485 62.300 0.147 0.000 1.015 266 V CB 2.223 34.154 31.823 0.180 0.000 1.050 266 V HN 1.098 nan 8.190 nan 0.000 0.433 267 K N 3.551 123.982 120.400 0.052 0.000 2.508 267 K HA 0.579 4.897 4.320 -0.004 0.000 0.260 267 K C -2.029 174.525 176.600 -0.076 0.000 0.949 267 K CA -0.443 55.847 56.287 0.005 0.000 0.834 267 K CB 2.769 35.246 32.500 -0.037 0.000 1.365 267 K HN 0.549 nan 8.250 nan 0.000 0.437 268 F N 2.078 121.759 119.950 -0.448 0.000 2.532 268 F HA 0.632 5.157 4.527 -0.004 0.000 0.321 268 F C -1.485 173.823 175.800 -0.819 0.000 1.089 268 F CA -0.648 57.072 58.000 -0.467 0.000 0.926 268 F CB 0.936 39.747 39.000 -0.315 0.000 1.168 268 F HN 0.409 nan 8.300 nan 0.000 0.459 269 F N 3.211 122.376 119.950 -1.308 0.000 2.643 269 F HA 0.763 5.288 4.527 -0.004 0.000 0.314 269 F C -1.078 173.990 175.800 -1.221 0.000 1.096 269 F CA -1.232 56.120 58.000 -1.081 0.000 0.953 269 F CB 2.002 40.355 39.000 -1.077 0.000 1.345 269 F HN 0.163 nan 8.300 nan 0.000 0.468 270 V N 2.088 121.729 119.914 -0.454 0.000 2.623 270 V HA 0.632 4.750 4.120 -0.004 0.000 0.304 270 V C -1.243 174.900 176.094 0.083 0.000 1.054 270 V CA -0.810 61.315 62.300 -0.293 0.000 0.882 270 V CB 1.882 33.358 31.823 -0.578 0.000 1.002 270 V HN 0.637 nan 8.190 nan 0.000 0.424 271 V N 4.221 124.262 119.914 0.211 0.000 2.628 271 V HA 0.540 4.658 4.120 -0.004 0.000 0.306 271 V C -0.122 176.191 176.094 0.366 0.000 1.045 271 V CA -0.606 61.858 62.300 0.273 0.000 0.905 271 V CB 1.987 33.922 31.823 0.186 0.000 0.997 271 V HN 1.018 nan 8.190 nan 0.000 0.436 272 N N 3.207 122.103 118.700 0.327 0.000 2.439 272 N HA 0.145 4.883 4.740 -0.004 0.000 0.243 272 N C 1.241 176.752 175.510 0.001 0.000 1.088 272 N CA 0.332 53.457 53.050 0.126 0.000 0.940 272 N CB 1.171 39.688 38.487 0.051 0.000 1.180 272 N HN 0.895 nan 8.380 nan 0.000 0.505 273 T N 0.251 114.801 114.554 -0.007 0.000 2.995 273 T HA -0.086 4.262 4.350 -0.004 0.000 0.269 273 T C 1.005 175.660 174.700 -0.075 0.000 1.091 273 T CA 0.835 62.929 62.100 -0.010 0.000 1.128 273 T CB 0.007 68.963 68.868 0.146 0.000 0.891 273 T HN 0.370 nan 8.240 nan 0.000 0.492 274 D N 1.910 122.243 120.400 -0.111 0.000 2.310 274 D HA -0.034 4.604 4.640 -0.004 0.000 0.212 274 D C 2.233 178.468 176.300 -0.108 0.000 0.965 274 D CA 1.318 55.249 54.000 -0.115 0.000 0.879 274 D CB -0.182 40.528 40.800 -0.150 0.000 0.921 274 D HN 0.693 nan 8.370 nan 0.000 0.510 275 S N -0.781 114.856 115.700 -0.105 0.000 2.575 275 S HA 0.097 4.565 4.470 -0.004 0.000 0.215 275 S C 2.006 176.531 174.600 -0.125 0.000 0.966 275 S CA -0.243 57.911 58.200 -0.077 0.000 0.911 275 S CB -0.181 63.004 63.200 -0.024 0.000 0.780 275 S HN 0.167 nan 8.310 nan 0.000 0.514 276 L N 2.326 123.404 121.223 -0.242 0.000 2.043 276 L HA -0.111 4.226 4.340 -0.004 0.000 0.212 276 L C 2.749 179.304 176.870 -0.525 0.000 1.075 276 L CA 1.674 56.217 54.840 -0.495 0.000 0.752 276 L CB -0.749 40.757 42.059 -0.923 0.000 0.891 276 L HN 0.602 nan 8.230 nan 0.000 0.432 277 S N -2.994 112.503 115.700 -0.338 0.000 2.593 277 S HA 0.050 4.518 4.470 -0.004 0.000 0.217 277 S C 1.562 176.177 174.600 0.026 0.000 0.966 277 S CA 0.357 58.532 58.200 -0.043 0.000 0.914 277 S CB 0.439 63.677 63.200 0.064 0.000 0.776 277 S HN 0.219 nan 8.310 nan 0.000 0.523 278 S N 0.594 116.286 115.700 -0.013 0.000 2.505 278 S HA 0.348 4.816 4.470 -0.004 0.000 0.216 278 S C 0.457 175.075 174.600 0.030 0.000 1.018 278 S CA 0.131 58.341 58.200 0.016 0.000 0.911 278 S CB 0.711 63.914 63.200 0.004 0.000 0.818 278 S HN 0.645 nan 8.310 nan 0.000 0.497 279 V N 0.017 119.948 119.914 0.028 0.000 2.914 279 V HA 0.590 4.708 4.120 -0.004 0.000 0.314 279 V C 1.211 177.350 176.094 0.074 0.000 1.084 279 V CA -0.332 61.995 62.300 0.045 0.000 0.963 279 V CB 1.083 32.929 31.823 0.039 0.000 1.025 279 V HN 0.238 nan 8.190 nan 0.000 0.432 280 T N -0.984 113.616 114.554 0.076 0.000 2.777 280 T HA -0.042 4.305 4.350 -0.004 0.000 0.266 280 T C 0.799 175.574 174.700 0.125 0.000 1.040 280 T CA 1.696 63.856 62.100 0.099 0.000 1.141 280 T CB -0.362 68.544 68.868 0.063 0.000 0.868 280 T HN 0.747 nan 8.240 nan 0.000 0.444 281 N N 1.348 120.103 118.700 0.091 0.000 2.609 281 N HA 0.558 5.296 4.740 -0.004 0.000 0.268 281 N C -1.016 174.553 175.510 0.097 0.000 1.106 281 N CA -0.317 52.800 53.050 0.111 0.000 0.823 281 N CB 1.391 39.891 38.487 0.021 0.000 1.263 281 N HN 0.571 nan 8.380 nan 0.000 0.533 282 A N 1.951 124.833 122.820 0.103 0.000 2.511 282 A HA 0.282 4.600 4.320 -0.004 0.000 0.242 282 A C 0.297 177.947 177.584 0.109 0.000 1.069 282 A CA 0.279 52.367 52.037 0.084 0.000 0.763 282 A CB -0.118 18.911 19.000 0.048 0.000 1.001 282 A HN 0.530 nan 8.150 nan 0.000 0.498 283 T N 2.921 117.546 114.554 0.118 0.000 2.737 283 T HA 0.255 4.603 4.350 -0.004 0.000 0.296 283 T C 0.454 175.257 174.700 0.171 0.000 0.922 283 T CA 0.201 62.381 62.100 0.134 0.000 1.079 283 T CB 0.361 69.311 68.868 0.137 0.000 0.892 283 T HN 0.535 nan 8.240 nan 0.000 0.514 284 S N 4.443 120.235 115.700 0.154 0.000 2.405 284 S HA 0.223 4.691 4.470 -0.004 0.000 0.291 284 S C 0.538 175.295 174.600 0.262 0.000 1.137 284 S CA -0.700 57.603 58.200 0.172 0.000 1.061 284 S CB -0.193 63.036 63.200 0.048 0.000 1.001 284 S HN 0.443 nan 8.310 nan 0.000 0.507 285 I N 3.818 124.545 120.570 0.262 0.000 2.416 285 I HA 0.175 4.343 4.170 -0.004 0.000 0.288 285 I C 0.692 176.908 176.117 0.165 0.000 1.051 285 I CA -0.051 61.409 61.300 0.267 0.000 1.375 285 I CB 0.525 38.767 38.000 0.403 0.000 1.407 285 I HN 0.631 nan 8.210 nan 0.000 0.516 286 Q N 6.513 126.373 119.800 0.099 0.000 2.259 286 Q HA 0.518 4.856 4.340 -0.004 0.000 0.249 286 Q C -1.174 174.749 176.000 -0.128 0.000 0.914 286 Q CA -0.470 55.193 55.803 -0.234 0.000 0.904 286 Q CB 1.388 29.902 28.738 -0.374 0.000 1.213 286 Q HN 0.579 nan 8.270 nan 0.000 0.428 287 I N 4.048 124.529 120.570 -0.148 0.000 2.390 287 I HA 0.207 4.375 4.170 -0.004 0.000 0.283 287 I C 0.066 176.179 176.117 -0.006 0.000 1.016 287 I CA -0.781 60.514 61.300 -0.008 0.000 1.151 287 I CB 1.527 39.562 38.000 0.058 0.000 1.293 287 I HN 0.712 nan 8.210 nan 0.000 0.458 288 T N 2.857 117.369 114.554 -0.071 0.000 2.899 288 T HA 0.607 4.955 4.350 -0.004 0.000 0.295 288 T C 0.452 174.976 174.700 -0.293 0.000 1.033 288 T CA -0.772 61.235 62.100 -0.155 0.000 1.084 288 T CB 1.562 70.334 68.868 -0.159 0.000 0.979 288 T HN 0.571 nan 8.240 nan 0.000 0.532 289 A N 3.990 126.407 122.820 -0.673 0.000 2.425 289 A HA 0.534 4.852 4.320 -0.004 0.000 0.242 289 A C -1.713 175.401 177.584 -0.784 0.000 1.077 289 A CA -1.481 49.735 52.037 -1.368 0.000 0.781 289 A CB -0.649 17.101 19.000 -2.083 0.000 1.020 289 A HN 0.838 nan 8.150 nan 0.000 0.494 290 P HA 0.134 nan 4.420 nan 0.000 0.269 290 P C 0.745 177.839 177.300 -0.344 0.000 1.215 290 P CA 0.565 63.437 63.100 -0.381 0.000 0.780 290 P CB 0.857 32.397 31.700 -0.266 0.000 0.898 291 A N 2.907 125.595 122.820 -0.219 0.000 1.948 291 A HA -0.224 4.094 4.320 -0.004 0.000 0.220 291 A C 2.245 179.732 177.584 -0.161 0.000 1.177 291 A CA 2.537 54.470 52.037 -0.175 0.000 0.636 291 A CB -1.833 17.098 19.000 -0.115 0.000 0.815 291 A HN 0.693 nan 8.150 nan 0.000 0.449 292 S N -1.400 114.225 115.700 -0.124 0.000 2.469 292 S HA -0.103 4.365 4.470 -0.004 0.000 0.238 292 S C 1.702 176.242 174.600 -0.100 0.000 0.998 292 S CA 1.601 59.761 58.200 -0.067 0.000 0.957 292 S CB -0.286 62.953 63.200 0.064 0.000 0.764 292 S HN 0.429 nan 8.310 nan 0.000 0.514 293 M N 0.593 120.053 119.600 -0.234 0.000 2.552 293 M HA 0.370 4.848 4.480 -0.004 0.000 0.264 293 M C 1.943 177.982 176.300 -0.435 0.000 1.159 293 M CA 0.568 55.661 55.300 -0.346 0.000 1.176 293 M CB -1.040 31.190 32.600 -0.617 0.000 1.327 293 M HN 0.311 nan 8.290 nan 0.000 0.481 294 L N 1.114 122.080 121.223 -0.428 0.000 2.353 294 L HA -0.146 4.192 4.340 -0.004 0.000 0.220 294 L C 2.342 179.148 176.870 -0.107 0.000 1.133 294 L CA 0.653 55.330 54.840 -0.271 0.000 0.798 294 L CB -0.883 41.033 42.059 -0.240 0.000 0.922 294 L HN 0.317 nan 8.230 nan 0.000 0.445 295 I N -2.534 117.975 120.570 -0.102 0.000 2.567 295 I HA 0.040 4.208 4.170 -0.004 0.000 0.257 295 I C 1.122 177.224 176.117 -0.025 0.000 1.184 295 I CA 0.937 62.201 61.300 -0.060 0.000 1.451 295 I CB -0.538 37.420 38.000 -0.070 0.000 1.089 295 I HN 0.117 nan 8.210 nan 0.000 0.441 296 G N 0.107 108.911 108.800 0.006 0.000 2.870 296 G HA2 0.298 4.256 3.960 -0.004 0.000 0.299 296 G HA3 0.298 4.256 3.960 -0.004 0.000 0.299 296 G C -1.743 173.219 174.900 0.103 0.000 1.324 296 G CA -0.533 44.586 45.100 0.031 0.000 0.808 296 G HN 0.033 nan 8.290 nan 0.000 0.535 297 D N 1.143 121.551 120.400 0.012 0.000 2.414 297 D HA 0.401 5.039 4.640 -0.004 0.000 0.242 297 D C 0.349 176.591 176.300 -0.098 0.000 1.129 297 D CA 0.664 54.609 54.000 -0.092 0.000 0.885 297 D CB 0.525 41.234 40.800 -0.151 0.000 1.198 297 D HN 0.536 nan 8.370 nan 0.000 0.437 298 H N -0.831 118.103 119.070 -0.225 0.000 2.933 298 H HA 0.470 5.024 4.556 -0.004 0.000 0.310 298 H C -1.354 173.847 175.328 -0.213 0.000 1.351 298 H CA -0.796 55.131 56.048 -0.201 0.000 1.137 298 H CB 0.462 30.233 29.762 0.013 0.000 1.853 298 H HN 0.304 nan 8.280 nan 0.000 0.539 299 Y N -0.117 120.427 120.300 0.407 0.000 2.553 299 Y HA 0.390 4.938 4.550 -0.004 0.000 0.347 299 Y C -0.561 175.642 175.900 0.505 0.000 1.019 299 Y CA -1.097 57.252 58.100 0.415 0.000 1.032 299 Y CB 2.093 40.653 38.460 0.167 0.000 1.284 299 Y HN 0.493 nan 8.280 nan 0.000 0.466 300 L N 3.166 124.777 121.223 0.646 0.000 2.257 300 L HA 0.438 4.776 4.340 -0.004 0.000 0.290 300 L C 0.348 177.323 176.870 0.176 0.000 1.044 300 L CA -0.294 54.589 54.840 0.072 0.000 0.810 300 L CB 0.379 42.360 42.059 -0.131 0.000 1.193 300 L HN 0.969 nan 8.230 nan 0.000 0.425 301 C N 1.290 120.535 119.300 -0.090 0.000 3.183 301 C HA 0.526 4.983 4.460 -0.004 0.000 0.285 301 C C 0.159 174.972 174.990 -0.294 0.000 1.313 301 C CA -0.437 58.434 59.018 -0.244 0.000 1.711 301 C CB -0.827 26.815 27.740 -0.164 0.000 2.135 301 C HN 0.850 nan 8.230 nan 0.000 0.651 302 D N 0.121 120.394 120.400 -0.212 0.000 2.769 302 D HA 0.439 5.077 4.640 -0.004 0.000 0.219 302 D C -1.896 174.153 176.300 -0.417 0.000 1.245 302 D CA 0.115 54.015 54.000 -0.167 0.000 0.801 302 D CB 2.705 43.389 40.800 -0.195 0.000 1.598 302 D HN 0.047 nan 8.370 nan 0.000 0.485 303 V N 2.207 121.824 119.914 -0.495 0.000 2.623 303 V HA 0.619 4.736 4.120 -0.004 0.000 0.304 303 V C -0.544 175.165 176.094 -0.641 0.000 1.054 303 V CA -0.395 61.353 62.300 -0.919 0.000 0.882 303 V CB 2.047 32.772 31.823 -1.831 0.000 1.002 303 V HN 0.676 nan 8.190 nan 0.000 0.424 304 T N 3.215 117.462 114.554 -0.513 0.000 3.237 304 T HA 0.348 4.696 4.350 -0.004 0.000 0.319 304 T C -1.050 173.503 174.700 -0.245 0.000 1.037 304 T CA -0.522 61.445 62.100 -0.221 0.000 1.048 304 T CB 0.917 69.746 68.868 -0.065 0.000 1.081 304 T HN 0.514 nan 8.240 nan 0.000 0.455 305 W N 1.868 123.093 121.300 -0.126 0.000 2.218 305 W HA 0.518 5.176 4.660 -0.004 0.000 0.326 305 W C 1.132 177.486 176.519 -0.276 0.000 1.276 305 W CA -0.344 56.911 57.345 -0.149 0.000 1.210 305 W CB 0.660 30.123 29.460 0.005 0.000 1.143 305 W HN 0.847 nan 8.180 nan 0.000 0.563 306 A N 1.583 124.273 122.820 -0.217 0.000 1.963 306 A HA 0.241 4.558 4.320 -0.004 0.000 0.207 306 A C 0.789 178.328 177.584 -0.075 0.000 1.243 306 A CA 1.474 53.144 52.037 -0.612 0.000 0.728 306 A CB -0.278 17.962 19.000 -1.267 0.000 0.895 306 A HN 0.542 nan 8.150 nan 0.000 0.467 307 T N -5.592 109.020 114.554 0.096 0.000 2.671 307 T HA 0.316 4.664 4.350 -0.004 0.000 0.300 307 T C 0.019 174.863 174.700 0.239 0.000 1.238 307 T CA -0.327 61.866 62.100 0.155 0.000 1.020 307 T CB 0.613 69.564 68.868 0.139 0.000 1.503 307 T HN -0.053 nan 8.240 nan 0.000 0.497 308 Q N 0.340 120.246 119.800 0.178 0.000 2.297 308 Q HA -0.008 4.330 4.340 -0.004 0.000 0.208 308 Q C 0.721 176.948 176.000 0.380 0.000 0.981 308 Q CA 1.527 57.436 55.803 0.178 0.000 0.876 308 Q CB -0.157 28.662 28.738 0.134 0.000 0.921 308 Q HN 0.828 nan 8.270 nan 0.000 0.446 309 E N -0.140 120.295 120.200 0.391 0.000 2.968 309 E HA 0.213 4.561 4.350 -0.004 0.000 0.202 309 E C -0.378 176.490 176.600 0.447 0.000 0.979 309 E CA -0.168 56.494 56.400 0.437 0.000 1.192 309 E CB 0.895 30.768 29.700 0.289 0.000 1.059 309 E HN -0.025 nan 8.360 nan 0.000 0.470 310 R N 1.559 122.359 120.500 0.500 0.000 2.512 310 R HA 0.453 4.791 4.340 -0.004 0.000 0.291 310 R C -1.847 174.518 176.300 0.108 0.000 1.097 310 R CA -0.397 55.877 56.100 0.291 0.000 0.940 310 R CB 1.123 31.484 30.300 0.102 0.000 1.198 310 R HN 0.095 nan 8.270 nan 0.000 0.429 311 I N 3.277 123.752 120.570 -0.159 0.000 2.530 311 I HA 0.484 4.651 4.170 -0.004 0.000 0.297 311 I C -0.789 175.038 176.117 -0.483 0.000 1.011 311 I CA -0.541 60.381 61.300 -0.629 0.000 1.107 311 I CB 2.195 39.384 38.000 -1.352 0.000 1.285 311 I HN 0.858 nan 8.210 nan 0.000 0.436 312 S N 7.503 122.894 115.700 -0.514 0.000 2.503 312 S HA 0.792 5.260 4.470 -0.004 0.000 0.301 312 S C -1.034 173.253 174.600 -0.521 0.000 1.087 312 S CA -0.727 57.246 58.200 -0.379 0.000 1.042 312 S CB 1.685 64.771 63.200 -0.189 0.000 1.043 312 S HN 0.547 nan 8.310 nan 0.000 0.489 313 L N 1.737 122.669 121.223 -0.484 0.000 2.431 313 L HA 0.548 4.886 4.340 -0.004 0.000 0.266 313 L C -0.579 175.990 176.870 -0.501 0.000 0.978 313 L CA -0.705 53.732 54.840 -0.672 0.000 0.822 313 L CB 2.287 43.814 42.059 -0.887 0.000 1.310 313 L HN 0.688 nan 8.230 nan 0.000 0.409 314 Q N 1.548 121.015 119.800 -0.554 0.000 2.333 314 Q HA 0.465 4.802 4.340 -0.004 0.000 0.267 314 Q C -1.724 174.057 176.000 -0.365 0.000 1.012 314 Q CA -0.594 55.017 55.803 -0.320 0.000 0.824 314 Q CB 2.517 31.118 28.738 -0.228 0.000 1.290 314 Q HN 0.412 nan 8.270 nan 0.000 0.449 315 W N 2.235 123.490 121.300 -0.076 0.000 2.639 315 W HA 0.655 5.313 4.660 -0.003 0.000 0.347 315 W C -0.898 175.652 176.519 0.053 0.000 1.067 315 W CA -0.701 56.651 57.345 0.012 0.000 1.218 315 W CB 1.102 30.552 29.460 -0.017 0.000 1.393 315 W HN 0.394 nan 8.180 nan 0.000 0.557 316 L N 2.188 123.651 121.223 0.401 0.000 2.436 316 L HA 0.559 4.897 4.340 -0.004 0.000 0.268 316 L C -0.254 176.823 176.870 0.344 0.000 0.974 316 L CA -1.122 53.908 54.840 0.317 0.000 0.826 316 L CB 1.407 43.629 42.059 0.272 0.000 1.291 316 L HN 0.413 nan 8.230 nan 0.000 0.406 317 R N 2.470 123.132 120.500 0.270 0.000 2.694 317 R HA 0.208 4.546 4.340 -0.004 0.000 0.268 317 R C 1.020 177.394 176.300 0.123 0.000 1.061 317 R CA -0.067 56.141 56.100 0.180 0.000 1.133 317 R CB 0.594 30.989 30.300 0.159 0.000 1.020 317 R HN 0.676 nan 8.270 nan 0.000 0.475 318 R N 1.577 122.055 120.500 -0.038 0.000 2.139 318 R HA -0.094 4.244 4.340 -0.004 0.000 0.243 318 R C 0.414 176.769 176.300 0.091 0.000 1.145 318 R CA 1.195 57.250 56.100 -0.075 0.000 0.976 318 R CB 0.165 30.375 30.300 -0.150 0.000 0.866 318 R HN 0.394 nan 8.270 nan 0.000 0.449 319 I N 2.998 123.611 120.570 0.071 0.000 2.260 319 I HA 0.008 4.175 4.170 -0.004 0.000 0.297 319 I C 0.183 176.366 176.117 0.110 0.000 1.143 319 I CA 0.303 61.647 61.300 0.074 0.000 1.271 319 I CB 0.696 38.724 38.000 0.045 0.000 1.461 319 I HN 0.291 nan 8.210 nan 0.000 0.530 320 Q N 4.292 124.160 119.800 0.114 0.000 2.263 320 Q HA -0.117 4.221 4.340 -0.004 0.000 0.175 320 Q C 0.678 176.757 176.000 0.132 0.000 0.826 320 Q CA 0.240 56.118 55.803 0.124 0.000 1.045 320 Q CB -0.449 28.321 28.738 0.052 0.000 1.140 320 Q HN 0.619 nan 8.270 nan 0.000 0.461 321 N N -0.857 117.929 118.700 0.142 0.000 2.238 321 N HA -0.029 4.709 4.740 -0.004 0.000 0.235 321 N C -1.120 174.515 175.510 0.208 0.000 1.209 321 N CA -0.255 52.874 53.050 0.132 0.000 0.879 321 N CB 0.369 38.909 38.487 0.088 0.000 1.136 321 N HN 0.227 nan 8.380 nan 0.000 0.517 322 Y N 1.279 121.611 120.300 0.053 0.000 2.330 322 Y HA 0.472 5.020 4.550 -0.004 0.000 0.324 322 Y C -1.225 174.717 175.900 0.070 0.000 1.093 322 Y CA -0.728 57.402 58.100 0.050 0.000 1.103 322 Y CB 1.424 39.905 38.460 0.035 0.000 1.183 322 Y HN 0.164 nan 8.280 nan 0.000 0.433 323 S N 4.175 119.757 115.700 -0.197 0.000 2.548 323 S HA 0.911 5.378 4.470 -0.004 0.000 0.286 323 S C -1.825 172.648 174.600 -0.212 0.000 1.098 323 S CA -0.775 57.371 58.200 -0.090 0.000 0.930 323 S CB 2.019 65.210 63.200 -0.014 0.000 1.070 323 S HN 0.417 nan 8.310 nan 0.000 0.480 324 V N 3.215 123.101 119.914 -0.047 0.000 2.588 324 V HA 0.535 4.653 4.120 -0.004 0.000 0.304 324 V C -0.481 175.648 176.094 0.058 0.000 1.042 324 V CA -0.639 61.644 62.300 -0.029 0.000 0.877 324 V CB 1.780 33.605 31.823 0.004 0.000 0.996 324 V HN 1.032 nan 8.190 nan 0.000 0.425 325 M N 3.992 123.599 119.600 0.012 0.000 2.149 325 M HA 0.523 5.001 4.480 -0.004 0.000 0.342 325 M C -1.337 174.983 176.300 0.032 0.000 1.068 325 M CA -0.332 54.954 55.300 -0.023 0.000 0.991 325 M CB 1.123 33.645 32.600 -0.131 0.000 1.596 325 M HN 0.580 nan 8.290 nan 0.000 0.439 326 D N 5.230 125.643 120.400 0.023 0.000 2.181 326 D HA 0.527 5.164 4.640 -0.004 0.000 0.248 326 D C -0.879 175.404 176.300 -0.028 0.000 1.020 326 D CA -0.020 53.995 54.000 0.026 0.000 0.891 326 D CB 1.901 42.734 40.800 0.055 0.000 1.187 326 D HN 0.618 nan 8.370 nan 0.000 0.443 327 I N 2.239 122.821 120.570 0.021 0.000 2.411 327 I HA 0.256 4.424 4.170 -0.004 0.000 0.284 327 I C -0.626 175.510 176.117 0.031 0.000 1.012 327 I CA -0.582 60.727 61.300 0.016 0.000 1.119 327 I CB 1.211 39.282 38.000 0.119 0.000 1.261 327 I HN 0.160 nan 8.210 nan 0.000 0.448 328 c N 3.767 122.374 118.600 0.012 0.000 2.382 328 c HA 0.546 5.114 4.570 -0.004 0.000 0.327 328 c C -0.238 174.012 174.090 0.267 0.000 1.250 328 c CA -0.746 55.657 56.329 0.125 0.000 1.707 328 c CB 0.972 43.556 42.510 0.122 0.000 2.272 328 c HN 0.569 nan 8.230 nan 0.000 0.506 329 D N 0.396 120.930 120.400 0.222 0.000 2.185 329 D HA 0.311 4.948 4.640 -0.004 0.000 0.247 329 D C -0.606 175.631 176.300 -0.104 0.000 1.027 329 D CA -0.214 53.867 54.000 0.135 0.000 0.861 329 D CB 0.841 41.672 40.800 0.051 0.000 1.202 329 D HN 0.572 nan 8.370 nan 0.000 0.453 330 Y N 1.365 121.294 120.300 -0.618 0.000 2.442 330 Y HA 0.191 4.739 4.550 -0.003 0.000 0.330 330 Y C -0.149 175.459 175.900 -0.486 0.000 1.129 330 Y CA -0.365 57.054 58.100 -1.135 0.000 1.365 330 Y CB 0.713 38.456 38.460 -1.194 0.000 1.233 330 Y HN 0.219 nan 8.280 nan 0.000 0.529 331 D N 4.983 124.753 120.400 -1.049 0.000 2.473 331 D HA 0.104 4.742 4.640 -0.004 0.000 0.226 331 D C 0.823 176.553 176.300 -0.951 0.000 1.089 331 D CA -0.118 53.461 54.000 -0.702 0.000 0.883 331 D CB 0.569 41.118 40.800 -0.418 0.000 1.029 331 D HN 0.792 nan 8.370 nan 0.000 0.517 332 E N 1.824 121.606 120.200 -0.697 0.000 2.219 332 E HA -0.227 4.121 4.350 -0.004 0.000 0.198 332 E C 1.377 177.843 176.600 -0.225 0.000 0.998 332 E CA 1.350 57.510 56.400 -0.399 0.000 0.818 332 E CB 0.309 29.965 29.700 -0.074 0.000 0.741 332 E HN 0.561 nan 8.360 nan 0.000 0.477 333 S N -0.585 114.991 115.700 -0.207 0.000 2.406 333 S HA -0.083 4.385 4.470 -0.004 0.000 0.224 333 S C 2.033 176.566 174.600 -0.112 0.000 1.030 333 S CA 0.958 59.089 58.200 -0.117 0.000 0.958 333 S CB 0.073 63.219 63.200 -0.090 0.000 0.811 333 S HN 0.239 nan 8.310 nan 0.000 0.489 334 S N 0.077 115.677 115.700 -0.166 0.000 2.535 334 S HA 0.444 4.912 4.470 -0.004 0.000 0.214 334 S C 1.633 176.169 174.600 -0.105 0.000 0.980 334 S CA 0.532 58.664 58.200 -0.114 0.000 0.907 334 S CB -0.478 62.658 63.200 -0.107 0.000 0.790 334 S HN 1.516 nan 8.310 nan 0.000 0.510 335 G N 1.861 110.532 108.800 -0.214 0.000 2.168 335 G HA2 -0.244 3.714 3.960 -0.004 0.000 0.257 335 G HA3 -0.244 3.714 3.960 -0.004 0.000 0.257 335 G C 0.170 175.069 174.900 -0.002 0.000 0.997 335 G CA 0.342 45.408 45.100 -0.057 0.000 0.708 335 G HN 0.525 nan 8.290 nan 0.000 0.520 336 R N -1.681 118.697 120.500 -0.203 0.000 2.810 336 R HA 0.690 5.028 4.340 -0.004 0.000 0.245 336 R C -0.689 175.476 176.300 -0.226 0.000 1.168 336 R CA -0.892 55.173 56.100 -0.058 0.000 1.096 336 R CB 0.557 30.846 30.300 -0.019 0.000 1.259 336 R HN 0.186 nan 8.270 nan 0.000 0.518 337 W N 0.286 121.597 121.300 0.019 0.000 2.532 337 W HA 0.414 5.072 4.660 -0.004 0.000 0.321 337 W C -0.369 176.137 176.519 -0.022 0.000 1.037 337 W CA -0.366 56.986 57.345 0.011 0.000 1.220 337 W CB 1.167 30.634 29.460 0.011 0.000 1.361 337 W HN 0.395 nan 8.180 nan 0.000 0.468 338 N N 2.017 120.803 118.700 0.143 0.000 2.284 338 N HA 0.579 5.317 4.740 -0.004 0.000 0.300 338 N C -1.582 173.977 175.510 0.083 0.000 1.047 338 N CA -0.689 52.407 53.050 0.077 0.000 0.821 338 N CB 1.394 39.885 38.487 0.006 0.000 1.337 338 N HN 0.189 nan 8.380 nan 0.000 0.482 339 c N 2.714 121.347 118.600 0.056 0.000 2.294 339 c HA 0.390 4.958 4.570 -0.004 0.000 0.319 339 c C 0.350 174.452 174.090 0.020 0.000 1.164 339 c CA -1.117 55.237 56.329 0.042 0.000 1.497 339 c CB -1.208 41.319 42.510 0.030 0.000 2.061 339 c HN 0.606 nan 8.230 nan 0.000 0.438 340 L N 2.660 123.897 121.223 0.024 0.000 2.462 340 L HA 0.051 4.389 4.340 -0.004 0.000 0.272 340 L C 1.639 178.510 176.870 0.001 0.000 1.166 340 L CA 0.238 55.084 54.840 0.010 0.000 0.880 340 L CB 0.701 42.770 42.059 0.016 0.000 1.142 340 L HN 0.679 nan 8.230 nan 0.000 0.473 341 V N 4.428 124.333 119.914 -0.014 0.000 2.568 341 V HA -0.275 3.843 4.120 -0.004 0.000 0.253 341 V C 2.223 178.292 176.094 -0.041 0.000 1.072 341 V CA 2.167 64.450 62.300 -0.028 0.000 1.084 341 V CB -0.047 31.757 31.823 -0.032 0.000 0.676 341 V HN 0.992 nan 8.190 nan 0.000 0.469 342 A N -0.255 122.546 122.820 -0.031 0.000 2.216 342 A HA -0.063 4.255 4.320 -0.004 0.000 0.214 342 A C 2.123 179.677 177.584 -0.051 0.000 1.160 342 A CA 1.258 53.270 52.037 -0.042 0.000 0.725 342 A CB -0.402 18.585 19.000 -0.021 0.000 0.784 342 A HN 0.647 nan 8.150 nan 0.000 0.472 343 R N -0.956 119.534 120.500 -0.017 0.000 2.472 343 R HA 0.165 4.503 4.340 -0.004 0.000 0.279 343 R C 0.416 176.742 176.300 0.044 0.000 0.953 343 R CA -0.169 55.963 56.100 0.054 0.000 1.088 343 R CB 0.276 30.650 30.300 0.125 0.000 1.197 343 R HN 0.582 nan 8.270 nan 0.000 0.536 344 Q N 0.891 120.643 119.800 -0.079 0.000 2.267 344 Q HA 0.112 4.450 4.340 -0.004 0.000 0.255 344 Q C -1.140 174.736 176.000 -0.206 0.000 0.923 344 Q CA -0.191 55.583 55.803 -0.048 0.000 0.925 344 Q CB 0.695 29.405 28.738 -0.046 0.000 1.195 344 Q HN 0.212 nan 8.270 nan 0.000 0.417 345 H N 2.972 122.039 119.070 -0.005 0.000 2.505 345 H HA 0.422 4.976 4.556 -0.004 0.000 0.338 345 H C -0.709 174.584 175.328 -0.058 0.000 1.057 345 H CA -0.449 55.599 56.048 -0.000 0.000 1.202 345 H CB 1.138 30.898 29.762 -0.002 0.000 1.466 345 H HN 0.529 nan 8.280 nan 0.000 0.499 346 I N 2.073 122.654 120.570 0.018 0.000 2.428 346 I HA 0.264 4.432 4.170 -0.004 0.000 0.296 346 I C -0.010 176.057 176.117 -0.083 0.000 0.985 346 I CA -0.273 60.954 61.300 -0.122 0.000 1.260 346 I CB 1.425 39.334 38.000 -0.152 0.000 1.389 346 I HN 0.576 nan 8.210 nan 0.000 0.484 347 E N 7.850 127.941 120.200 -0.183 0.000 2.281 347 E HA 0.501 4.849 4.350 -0.004 0.000 0.266 347 E C -1.251 175.276 176.600 -0.120 0.000 0.893 347 E CA -0.616 55.736 56.400 -0.081 0.000 0.798 347 E CB 1.424 31.105 29.700 -0.031 0.000 1.245 347 E HN 0.608 nan 8.360 nan 0.000 0.410 348 M N 1.029 120.608 119.600 -0.036 0.000 2.745 348 M HA 0.705 5.183 4.480 -0.004 0.000 0.290 348 M C -0.848 175.478 176.300 0.043 0.000 1.262 348 M CA -1.019 54.301 55.300 0.033 0.000 0.795 348 M CB 2.217 34.902 32.600 0.142 0.000 1.758 348 M HN 0.241 nan 8.290 nan 0.000 0.461 349 S N -0.737 114.992 115.700 0.048 0.000 2.548 349 S HA 0.516 4.983 4.470 -0.004 0.000 0.276 349 S C 0.141 174.742 174.600 0.002 0.000 1.129 349 S CA -0.013 58.192 58.200 0.008 0.000 0.931 349 S CB 1.826 64.999 63.200 -0.045 0.000 1.068 349 S HN 0.915 nan 8.310 nan 0.000 0.480 350 T N 0.161 114.714 114.554 -0.002 0.000 3.039 350 T HA 0.030 4.377 4.350 -0.004 0.000 0.250 350 T C 1.741 176.425 174.700 -0.026 0.000 1.052 350 T CA 1.139 63.236 62.100 -0.004 0.000 1.125 350 T CB -0.689 68.182 68.868 0.005 0.000 0.908 350 T HN 0.687 nan 8.240 nan 0.000 0.473 351 T N -1.124 113.413 114.554 -0.029 0.000 3.009 351 T HA 0.519 4.867 4.350 -0.004 0.000 0.258 351 T C 1.340 175.906 174.700 -0.224 0.000 1.063 351 T CA 0.552 62.641 62.100 -0.019 0.000 1.139 351 T CB -0.098 68.833 68.868 0.105 0.000 0.890 351 T HN 0.613 nan 8.240 nan 0.000 0.471 352 G N 0.217 108.676 108.800 -0.568 0.000 3.111 352 G HA2 0.509 4.467 3.960 -0.004 0.000 0.158 352 G HA3 0.509 4.467 3.960 -0.004 0.000 0.158 352 G C -1.484 173.081 174.900 -0.558 0.000 1.161 352 G CA -0.557 43.877 45.100 -1.111 0.000 1.025 352 G HN 0.519 nan 8.290 nan 0.000 0.619 353 W N -0.313 120.686 121.300 -0.502 0.000 2.492 353 W HA 0.776 5.434 4.660 -0.004 0.000 0.373 353 W C -0.540 175.923 176.519 -0.093 0.000 1.323 353 W CA -1.330 55.879 57.345 -0.226 0.000 1.406 353 W CB 0.640 29.946 29.460 -0.257 0.000 1.398 353 W HN 0.255 nan 8.180 nan 0.000 0.671 354 V N 2.728 122.742 119.914 0.168 0.000 2.407 354 V HA 0.723 4.840 4.120 -0.004 0.000 0.278 354 V C 0.713 176.914 176.094 0.178 0.000 1.037 354 V CA 0.342 62.700 62.300 0.096 0.000 0.900 354 V CB 0.037 31.906 31.823 0.076 0.000 0.983 354 V HN 1.285 nan 8.190 nan 0.000 0.459 355 G N 5.188 114.053 108.800 0.109 0.000 2.795 355 G HA2 -0.177 3.780 3.960 -0.004 0.000 0.664 355 G HA3 -0.177 3.780 3.960 -0.004 0.000 0.664 355 G C 0.310 175.338 174.900 0.213 0.000 1.381 355 G CA 0.129 45.313 45.100 0.141 0.000 0.853 355 G HN 0.631 nan 8.290 nan 0.000 0.545 356 R N -0.811 119.787 120.500 0.164 0.000 2.057 356 R HA 0.142 4.480 4.340 -0.004 0.000 0.229 356 R C 1.808 178.064 176.300 -0.074 0.000 1.136 356 R CA 2.056 58.199 56.100 0.073 0.000 0.952 356 R CB -0.069 30.267 30.300 0.060 0.000 0.848 356 R HN 0.457 nan 8.270 nan 0.000 0.430 357 F N -0.688 119.389 119.950 0.212 0.000 2.798 357 F HA 0.270 4.795 4.527 -0.003 0.000 0.328 357 F C 0.053 175.858 175.800 0.009 0.000 1.098 357 F CA -0.482 57.572 58.000 0.091 0.000 1.172 357 F CB 0.815 39.873 39.000 0.096 0.000 1.072 357 F HN -0.079 nan 8.300 nan 0.000 0.555 358 R N -1.741 118.875 120.500 0.194 0.000 3.231 358 R HA 0.297 4.635 4.340 -0.004 0.000 0.279 358 R C -3.426 172.926 176.300 0.086 0.000 0.990 358 R CA -1.590 54.560 56.100 0.083 0.000 0.879 358 R CB -0.281 30.018 30.300 -0.002 0.000 1.289 358 R HN -0.345 nan 8.270 nan 0.000 0.529 359 P HA -0.015 nan 4.420 nan 0.000 0.264 359 P C -0.288 177.026 177.300 0.023 0.000 1.183 359 P CA 0.161 63.277 63.100 0.027 0.000 0.763 359 P CB 0.701 32.393 31.700 -0.013 0.000 0.807 360 S N 2.023 117.750 115.700 0.045 0.000 2.584 360 S HA 0.122 4.590 4.470 -0.004 0.000 0.270 360 S C 0.258 174.868 174.600 0.016 0.000 1.346 360 S CA -0.703 57.536 58.200 0.066 0.000 1.018 360 S CB 0.375 63.637 63.200 0.104 0.000 0.899 360 S HN 0.534 nan 8.310 nan 0.000 0.542 361 E N 1.529 121.756 120.200 0.045 0.000 2.313 361 E HA 0.394 4.742 4.350 -0.004 0.000 0.272 361 E C -2.802 173.767 176.600 -0.051 0.000 1.038 361 E CA -2.265 54.114 56.400 -0.035 0.000 0.863 361 E CB 0.414 30.096 29.700 -0.029 0.000 1.060 361 E HN 0.461 nan 8.360 nan 0.000 0.402 362 P HA 0.272 nan 4.420 nan 0.000 0.286 362 P C -0.815 176.352 177.300 -0.222 0.000 1.261 362 P CA -0.399 62.537 63.100 -0.273 0.000 0.821 362 P CB 0.884 32.100 31.700 -0.808 0.000 1.013 363 H N 2.188 121.269 119.070 0.018 0.000 2.762 363 H HA 0.296 4.850 4.556 -0.004 0.000 0.310 363 H C -0.320 175.141 175.328 0.221 0.000 1.004 363 H CA -0.325 55.832 56.048 0.182 0.000 1.267 363 H CB 0.407 30.295 29.762 0.210 0.000 1.437 363 H HN 0.304 nan 8.280 nan 0.000 0.498 364 F N 1.770 121.907 119.950 0.312 0.000 2.389 364 F HA 0.081 4.605 4.527 -0.004 0.000 0.337 364 F C 1.565 177.564 175.800 0.331 0.000 1.112 364 F CA -0.484 57.714 58.000 0.330 0.000 1.192 364 F CB 1.011 40.142 39.000 0.219 0.000 1.185 364 F HN 0.358 nan 8.300 nan 0.000 0.552 365 T N 0.582 115.445 114.554 0.514 0.000 2.868 365 T HA 0.156 4.504 4.350 -0.004 0.000 0.292 365 T C 1.138 176.037 174.700 0.331 0.000 1.028 365 T CA -0.808 61.529 62.100 0.396 0.000 1.059 365 T CB 0.908 69.999 68.868 0.371 0.000 0.991 365 T HN 0.580 nan 8.240 nan 0.000 0.531 366 L N 1.578 122.949 121.223 0.246 0.000 2.034 366 L HA -0.175 4.163 4.340 -0.004 0.000 0.217 366 L C 2.173 179.155 176.870 0.186 0.000 1.077 366 L CA 2.606 57.564 54.840 0.197 0.000 0.769 366 L CB -1.022 41.127 42.059 0.150 0.000 0.890 366 L HN 0.985 nan 8.230 nan 0.000 0.435 367 D N -1.284 119.226 120.400 0.183 0.000 2.378 367 D HA 0.034 4.671 4.640 -0.004 0.000 0.227 367 D C 1.598 178.010 176.300 0.186 0.000 1.012 367 D CA 0.771 54.868 54.000 0.162 0.000 0.905 367 D CB -0.737 40.148 40.800 0.140 0.000 0.895 367 D HN 0.495 nan 8.370 nan 0.000 0.532 368 G N 0.765 109.715 108.800 0.251 0.000 2.180 368 G HA2 -0.370 3.588 3.960 -0.004 0.000 0.263 368 G HA3 -0.370 3.588 3.960 -0.004 0.000 0.263 368 G C 0.905 176.010 174.900 0.340 0.000 0.989 368 G CA 0.496 45.772 45.100 0.292 0.000 0.692 368 G HN 0.405 nan 8.290 nan 0.000 0.526 369 N N 0.006 118.874 118.700 0.280 0.000 2.353 369 N HA 0.196 4.934 4.740 -0.004 0.000 0.185 369 N C 0.886 176.501 175.510 0.175 0.000 1.098 369 N CA 1.068 54.247 53.050 0.214 0.000 0.872 369 N CB 0.500 39.069 38.487 0.138 0.000 0.970 369 N HN 0.880 nan 8.380 nan 0.000 0.467 370 S N -0.477 115.353 115.700 0.216 0.000 2.596 370 S HA 0.762 5.230 4.470 -0.004 0.000 0.270 370 S C -0.967 173.659 174.600 0.043 0.000 1.155 370 S CA -0.986 57.187 58.200 -0.046 0.000 0.827 370 S CB 1.751 64.825 63.200 -0.210 0.000 1.130 370 S HN 0.107 nan 8.310 nan 0.000 0.467 371 F N -1.816 117.945 119.950 -0.315 0.000 2.686 371 F HA 0.842 5.367 4.527 -0.004 0.000 0.311 371 F C -2.208 173.424 175.800 -0.280 0.000 1.128 371 F CA -1.565 56.208 58.000 -0.377 0.000 0.946 371 F CB 0.575 38.921 39.000 -1.089 0.000 1.336 371 F HN 0.594 nan 8.300 nan 0.000 0.457 372 Y N 1.021 121.492 120.300 0.284 0.000 2.429 372 Y HA 0.712 5.259 4.550 -0.004 0.000 0.342 372 Y C -0.235 175.842 175.900 0.295 0.000 1.004 372 Y CA -0.961 57.293 58.100 0.257 0.000 1.075 372 Y CB 2.174 40.725 38.460 0.151 0.000 1.214 372 Y HN 0.722 nan 8.280 nan 0.000 0.455 373 K N 2.692 123.330 120.400 0.396 0.000 2.523 373 K HA 0.549 4.867 4.320 -0.004 0.000 0.257 373 K C -1.695 175.046 176.600 0.235 0.000 0.932 373 K CA -0.581 55.880 56.287 0.290 0.000 0.812 373 K CB 1.718 34.341 32.500 0.205 0.000 1.326 373 K HN 0.710 nan 8.250 nan 0.000 0.433 374 I N 6.249 126.930 120.570 0.185 0.000 2.396 374 I HA 0.289 4.457 4.170 -0.004 0.000 0.289 374 I C 0.095 176.309 176.117 0.161 0.000 1.056 374 I CA -0.352 61.040 61.300 0.154 0.000 1.365 374 I CB 0.437 38.510 38.000 0.121 0.000 1.407 374 I HN 0.477 nan 8.210 nan 0.000 0.509 375 I N 2.571 123.266 120.570 0.209 0.000 2.994 375 I HA 0.525 4.693 4.170 -0.004 0.000 0.306 375 I C -0.167 176.093 176.117 0.237 0.000 1.195 375 I CA -0.802 60.621 61.300 0.204 0.000 1.001 375 I CB 2.280 40.415 38.000 0.225 0.000 1.244 375 I HN 0.487 nan 8.210 nan 0.000 0.437 376 S N 2.388 118.159 115.700 0.118 0.000 2.545 376 S HA 0.348 4.816 4.470 -0.004 0.000 0.275 376 S C -0.059 174.576 174.600 0.059 0.000 1.299 376 S CA -0.635 57.580 58.200 0.024 0.000 1.048 376 S CB 0.594 63.732 63.200 -0.103 0.000 0.938 376 S HN 0.822 nan 8.310 nan 0.000 0.496 377 N N 2.231 120.849 118.700 -0.137 0.000 2.374 377 N HA 0.158 4.896 4.740 -0.004 0.000 0.284 377 N C 0.623 176.034 175.510 -0.165 0.000 1.280 377 N CA -0.484 52.349 53.050 -0.362 0.000 0.963 377 N CB -0.324 37.604 38.487 -0.932 0.000 1.141 377 N HN 0.750 nan 8.380 nan 0.000 0.565 378 E N -0.694 119.403 120.200 -0.172 0.000 2.204 378 E HA -0.171 4.177 4.350 -0.004 0.000 0.195 378 E C 0.816 177.364 176.600 -0.087 0.000 0.990 378 E CA 1.139 57.484 56.400 -0.091 0.000 0.821 378 E CB -0.142 29.511 29.700 -0.079 0.000 0.750 378 E HN 0.639 nan 8.360 nan 0.000 0.477 379 E N -0.698 119.446 120.200 -0.092 0.000 2.481 379 E HA 0.040 4.387 4.350 -0.004 0.000 0.195 379 E C 0.961 177.544 176.600 -0.029 0.000 1.047 379 E CA 0.317 56.709 56.400 -0.013 0.000 0.867 379 E CB 0.527 30.261 29.700 0.056 0.000 0.858 379 E HN 0.346 nan 8.360 nan 0.000 0.513 380 G N 0.847 109.574 108.800 -0.120 0.000 2.141 380 G HA2 -0.269 3.688 3.960 -0.004 0.000 0.231 380 G HA3 -0.269 3.688 3.960 -0.004 0.000 0.231 380 G C -0.444 174.192 174.900 -0.441 0.000 0.984 380 G CA -0.220 44.708 45.100 -0.287 0.000 0.660 380 G HN 0.204 nan 8.290 nan 0.000 0.525 381 Y N 0.214 120.391 120.300 -0.204 0.000 2.360 381 Y HA 0.650 5.197 4.550 -0.004 0.000 0.337 381 Y C 1.103 176.860 175.900 -0.238 0.000 1.039 381 Y CA -0.982 56.986 58.100 -0.220 0.000 1.109 381 Y CB 1.106 39.445 38.460 -0.202 0.000 1.201 381 Y HN 0.088 nan 8.280 nan 0.000 0.458 382 R N 3.675 124.063 120.500 -0.186 0.000 2.296 382 R HA 0.270 4.608 4.340 -0.004 0.000 0.323 382 R C -0.795 175.235 176.300 -0.450 0.000 1.067 382 R CA -0.023 55.966 56.100 -0.184 0.000 0.946 382 R CB 0.096 30.335 30.300 -0.102 0.000 0.991 382 R HN 0.650 nan 8.270 nan 0.000 0.448 383 H N 1.713 120.776 119.070 -0.013 0.000 2.946 383 H HA 0.321 4.875 4.556 -0.004 0.000 0.365 383 H C -0.133 175.274 175.328 0.131 0.000 1.197 383 H CA -0.952 55.071 56.048 -0.041 0.000 1.131 383 H CB 1.647 31.295 29.762 -0.191 0.000 1.849 383 H HN 0.328 nan 8.280 nan 0.000 0.555 384 I N 1.343 122.003 120.570 0.149 0.000 2.471 384 I HA 0.021 4.189 4.170 -0.004 0.000 0.286 384 I C 0.381 176.536 176.117 0.063 0.000 1.079 384 I CA 0.195 61.546 61.300 0.085 0.000 1.398 384 I CB 0.262 38.229 38.000 -0.055 0.000 1.403 384 I HN 0.138 nan 8.210 nan 0.000 0.530 385 c N 7.392 125.971 118.600 -0.034 0.000 2.351 385 c HA 0.397 4.965 4.570 -0.004 0.000 0.326 385 c C -0.305 173.681 174.090 -0.174 0.000 1.272 385 c CA -0.490 55.605 56.329 -0.389 0.000 1.650 385 c CB 0.648 42.694 42.510 -0.774 0.000 2.257 385 c HN 0.627 nan 8.230 nan 0.000 0.505 386 Y N 4.831 124.835 120.300 -0.493 0.000 2.326 386 Y HA 0.636 5.184 4.550 -0.004 0.000 0.337 386 Y C -0.965 174.517 175.900 -0.697 0.000 1.023 386 Y CA -0.827 56.916 58.100 -0.596 0.000 1.143 386 Y CB 0.281 38.454 38.460 -0.479 0.000 1.183 386 Y HN 0.638 nan 8.280 nan 0.000 0.485 387 F N 4.000 123.234 119.950 -1.193 0.000 2.508 387 F HA 0.401 4.926 4.527 -0.004 0.000 0.325 387 F C -0.147 174.898 175.800 -1.258 0.000 1.090 387 F CA -1.000 56.231 58.000 -1.282 0.000 0.945 387 F CB 1.703 39.536 39.000 -1.944 0.000 1.156 387 F HN 0.316 nan 8.300 nan 0.000 0.463 388 Q N 2.346 121.797 119.800 -0.581 0.000 2.243 388 Q HA 0.334 4.672 4.340 -0.004 0.000 0.252 388 Q C 0.915 176.847 176.000 -0.113 0.000 0.909 388 Q CA -0.180 55.405 55.803 -0.362 0.000 0.922 388 Q CB 1.393 29.992 28.738 -0.232 0.000 1.215 388 Q HN 0.699 nan 8.270 nan 0.000 0.427 389 I N -0.650 119.941 120.570 0.034 0.000 2.700 389 I HA -0.068 4.100 4.170 -0.004 0.000 0.261 389 I C 0.448 176.772 176.117 0.346 0.000 1.219 389 I CA 1.250 62.729 61.300 0.299 0.000 1.463 389 I CB -0.019 38.193 38.000 0.354 0.000 1.092 389 I HN 0.437 nan 8.210 nan 0.000 0.452 390 D N 0.924 121.421 120.400 0.161 0.000 2.670 390 D HA 0.234 4.872 4.640 -0.004 0.000 0.255 390 D C -0.211 176.100 176.300 0.018 0.000 1.286 390 D CA -0.357 53.691 54.000 0.080 0.000 0.830 390 D CB 0.141 40.971 40.800 0.051 0.000 1.065 390 D HN 0.386 nan 8.370 nan 0.000 0.486 391 K N 0.399 120.826 120.400 0.045 0.000 2.507 391 K HA 0.269 4.587 4.320 -0.004 0.000 0.251 391 K C 0.485 177.105 176.600 0.032 0.000 0.943 391 K CA -0.817 55.464 56.287 -0.010 0.000 0.794 391 K CB 2.303 34.771 32.500 -0.053 0.000 1.188 391 K HN -0.322 nan 8.250 nan 0.000 0.428 392 K N 0.487 120.862 120.400 -0.041 0.000 2.228 392 K HA 0.019 4.337 4.320 -0.004 0.000 0.202 392 K C -0.122 176.489 176.600 0.018 0.000 1.051 392 K CA 1.002 57.286 56.287 -0.005 0.000 0.960 392 K CB 0.030 32.494 32.500 -0.060 0.000 0.743 392 K HN 0.541 nan 8.250 nan 0.000 0.458 393 D N 1.213 121.562 120.400 -0.085 0.000 2.295 393 D HA 0.067 4.704 4.640 -0.004 0.000 0.248 393 D C 0.383 176.458 176.300 -0.376 0.000 1.154 393 D CA -0.334 53.556 54.000 -0.184 0.000 0.857 393 D CB 0.850 41.568 40.800 -0.137 0.000 1.117 393 D HN 0.178 nan 8.370 nan 0.000 0.468 394 c N 0.759 118.964 118.600 -0.658 0.000 2.328 394 c HA 0.830 5.398 4.570 -0.004 0.000 0.378 394 c C 0.289 173.984 174.090 -0.657 0.000 1.249 394 c CA -0.586 55.143 56.329 -1.000 0.000 2.204 394 c CB 1.024 42.291 42.510 -2.072 0.000 2.218 394 c HN 0.468 nan 8.230 nan 0.000 0.564 395 T N 1.532 115.743 114.554 -0.573 0.000 2.809 395 T HA 0.472 4.820 4.350 -0.004 0.000 0.284 395 T C -0.771 173.725 174.700 -0.341 0.000 0.992 395 T CA 0.147 62.062 62.100 -0.308 0.000 0.957 395 T CB 0.370 69.188 68.868 -0.084 0.000 0.942 395 T HN 0.475 nan 8.240 nan 0.000 0.439 396 F N 3.376 123.218 119.950 -0.180 0.000 2.495 396 F HA 0.254 4.778 4.527 -0.004 0.000 0.365 396 F C 1.651 177.292 175.800 -0.265 0.000 1.090 396 F CA -0.804 57.076 58.000 -0.199 0.000 1.235 396 F CB 0.446 39.326 39.000 -0.199 0.000 1.119 396 F HN 0.580 nan 8.300 nan 0.000 0.562 397 I N -0.449 120.009 120.570 -0.185 0.000 3.956 397 I HA 0.252 4.420 4.170 -0.004 0.000 0.333 397 I C 0.092 176.036 176.117 -0.288 0.000 1.302 397 I CA 0.074 61.065 61.300 -0.516 0.000 1.122 397 I CB -0.087 37.312 38.000 -1.001 0.000 1.013 397 I HN 0.494 nan 8.210 nan 0.000 0.405 398 T N -0.138 114.313 114.554 -0.172 0.000 2.883 398 T HA 0.706 5.054 4.350 -0.004 0.000 0.301 398 T C -0.756 173.564 174.700 -0.633 0.000 1.158 398 T CA -0.694 61.287 62.100 -0.199 0.000 1.007 398 T CB 2.778 71.617 68.868 -0.049 0.000 1.186 398 T HN 0.497 nan 8.240 nan 0.000 0.499 399 K N -0.298 119.535 120.400 -0.945 0.000 2.658 399 K HA 0.756 5.074 4.320 -0.004 0.000 0.293 399 K C -0.472 175.463 176.600 -1.109 0.000 1.026 399 K CA -0.762 54.620 56.287 -1.508 0.000 0.871 399 K CB 1.181 33.219 32.500 -0.770 0.000 1.524 399 K HN 1.762 nan 8.250 nan 0.000 0.400 400 G N -0.124 108.092 108.800 -0.974 0.000 2.347 400 G HA2 0.074 4.032 3.960 -0.004 0.000 0.477 400 G HA3 0.074 4.032 3.960 -0.004 0.000 0.477 400 G C -0.693 173.675 174.900 -0.886 0.000 1.349 400 G CA -0.375 44.320 45.100 -0.675 0.000 1.000 400 G HN 1.067 nan 8.290 nan 0.000 0.605 401 T N -0.374 113.796 114.554 -0.640 0.000 4.058 401 T HA 0.555 4.902 4.350 -0.004 0.000 0.252 401 T C 0.257 174.753 174.700 -0.339 0.000 1.264 401 T CA 0.612 62.124 62.100 -0.979 0.000 1.094 401 T CB -0.968 67.591 68.868 -0.514 0.000 1.316 401 T HN 1.525 nan 8.240 nan 0.000 0.872 402 W N -0.304 120.831 121.300 -0.275 0.000 2.895 402 W HA 0.628 5.286 4.660 -0.004 0.000 0.377 402 W C -1.485 175.051 176.519 0.028 0.000 1.191 402 W CA -0.979 56.366 57.345 0.001 0.000 1.179 402 W CB 0.618 30.061 29.460 -0.029 0.000 1.469 402 W HN 0.198 nan 8.180 nan 0.000 0.577 403 E N 0.626 121.053 120.200 0.378 0.000 2.369 403 E HA 0.466 4.814 4.350 -0.004 0.000 0.270 403 E C -1.281 175.453 176.600 0.223 0.000 0.909 403 E CA -1.183 55.236 56.400 0.031 0.000 0.775 403 E CB 3.329 33.062 29.700 0.056 0.000 1.270 403 E HN 0.153 nan 8.360 nan 0.000 0.445 404 V N 3.397 123.305 119.914 -0.010 0.000 2.461 404 V HA 0.022 4.140 4.120 -0.004 0.000 0.275 404 V C 1.211 177.401 176.094 0.159 0.000 1.047 404 V CA -0.066 62.320 62.300 0.142 0.000 0.955 404 V CB 0.629 32.427 31.823 -0.041 0.000 0.988 404 V HN 0.684 nan 8.190 nan 0.000 0.471 405 I N 3.265 123.957 120.570 0.203 0.000 2.333 405 I HA 0.213 4.381 4.170 -0.004 0.000 0.246 405 I C 1.127 177.361 176.117 0.195 0.000 1.106 405 I CA 1.282 62.693 61.300 0.185 0.000 1.411 405 I CB -0.752 37.298 38.000 0.084 0.000 1.082 405 I HN 0.751 nan 8.210 nan 0.000 0.420 406 G N 0.503 109.420 108.800 0.195 0.000 2.632 406 G HA2 0.532 4.490 3.960 -0.004 0.000 0.292 406 G HA3 0.532 4.490 3.960 -0.004 0.000 0.292 406 G C -1.304 173.698 174.900 0.170 0.000 1.465 406 G CA -0.570 44.641 45.100 0.184 0.000 0.824 406 G HN -0.041 nan 8.290 nan 0.000 0.509 407 I N 1.431 122.044 120.570 0.071 0.000 2.342 407 I HA 0.271 4.438 4.170 -0.004 0.000 0.291 407 I C 0.628 176.718 176.117 -0.045 0.000 1.010 407 I CA -0.616 60.631 61.300 -0.088 0.000 1.308 407 I CB 1.846 39.526 38.000 -0.533 0.000 1.400 407 I HN 0.497 nan 8.210 nan 0.000 0.488 408 E N 4.793 125.019 120.200 0.043 0.000 2.290 408 E HA 0.334 4.682 4.350 -0.004 0.000 0.197 408 E C 0.128 176.698 176.600 -0.050 0.000 0.948 408 E CA 0.221 56.688 56.400 0.111 0.000 0.895 408 E CB 0.803 30.668 29.700 0.275 0.000 0.865 408 E HN 0.677 nan 8.360 nan 0.000 0.486 409 A N 0.486 123.176 122.820 -0.217 0.000 2.597 409 A HA 0.606 4.924 4.320 -0.004 0.000 0.292 409 A C -2.030 175.474 177.584 -0.134 0.000 1.057 409 A CA -0.664 51.167 52.037 -0.343 0.000 0.674 409 A CB 1.179 19.470 19.000 -1.182 0.000 1.278 409 A HN 0.040 nan 8.150 nan 0.000 0.416 410 L N 1.227 122.416 121.223 -0.055 0.000 2.470 410 L HA 0.821 5.159 4.340 -0.004 0.000 0.268 410 L C 0.003 176.901 176.870 0.047 0.000 0.964 410 L CA 0.524 55.361 54.840 -0.005 0.000 0.839 410 L CB 2.161 44.233 42.059 0.022 0.000 1.276 410 L HN 1.281 nan 8.230 nan 0.000 0.403 411 T N -0.268 114.326 114.554 0.067 0.000 2.910 411 T HA 0.415 4.763 4.350 -0.004 0.000 0.287 411 T C 1.035 175.769 174.700 0.056 0.000 1.050 411 T CA 0.028 62.180 62.100 0.088 0.000 1.011 411 T CB 1.306 70.264 68.868 0.149 0.000 1.195 411 T HN 0.721 nan 8.240 nan 0.000 0.540 412 S N -0.396 115.339 115.700 0.057 0.000 2.469 412 S HA -0.105 4.363 4.470 -0.004 0.000 0.238 412 S C 0.838 175.412 174.600 -0.043 0.000 0.998 412 S CA 1.158 59.378 58.200 0.033 0.000 0.957 412 S CB -0.507 62.718 63.200 0.041 0.000 0.764 412 S HN 0.740 nan 8.310 nan 0.000 0.514 413 D N -1.064 119.284 120.400 -0.087 0.000 2.470 413 D HA 0.238 4.875 4.640 -0.004 0.000 0.238 413 D C -0.527 175.385 176.300 -0.646 0.000 1.054 413 D CA 0.486 54.288 54.000 -0.330 0.000 0.896 413 D CB 0.419 41.035 40.800 -0.307 0.000 1.118 413 D HN 0.421 nan 8.370 nan 0.000 0.497 414 Y N 0.141 120.364 120.300 -0.129 0.000 2.545 414 Y HA 0.492 5.040 4.550 -0.004 0.000 0.348 414 Y C -0.572 175.123 175.900 -0.340 0.000 1.002 414 Y CA -0.966 56.960 58.100 -0.290 0.000 1.039 414 Y CB 2.546 40.692 38.460 -0.523 0.000 1.271 414 Y HN -0.268 nan 8.280 nan 0.000 0.467 415 L N 2.894 123.977 121.223 -0.233 0.000 2.349 415 L HA 0.600 4.937 4.340 -0.004 0.000 0.278 415 L C -1.880 174.873 176.870 -0.195 0.000 0.996 415 L CA -0.621 54.077 54.840 -0.236 0.000 0.825 415 L CB 0.821 42.652 42.059 -0.380 0.000 1.243 415 L HN 0.611 nan 8.230 nan 0.000 0.412 416 Y N 4.882 125.120 120.300 -0.103 0.000 2.330 416 Y HA 0.548 5.096 4.550 -0.003 0.000 0.336 416 Y C -0.359 175.563 175.900 0.038 0.000 1.036 416 Y CA -0.425 57.626 58.100 -0.081 0.000 1.125 416 Y CB 1.238 39.574 38.460 -0.206 0.000 1.194 416 Y HN 0.534 nan 8.280 nan 0.000 0.469 417 Y N 0.626 121.006 120.300 0.133 0.000 2.655 417 Y HA 0.805 5.353 4.550 -0.004 0.000 0.336 417 Y C -1.774 174.223 175.900 0.162 0.000 1.154 417 Y CA -1.812 56.353 58.100 0.108 0.000 1.055 417 Y CB 1.157 39.653 38.460 0.060 0.000 1.295 417 Y HN 0.276 nan 8.280 nan 0.000 0.465 418 I N 2.953 123.684 120.570 0.267 0.000 2.412 418 I HA 0.627 4.795 4.170 -0.004 0.000 0.296 418 I C -0.123 176.173 176.117 0.298 0.000 0.987 418 I CA -0.351 61.052 61.300 0.171 0.000 1.180 418 I CB 1.507 39.564 38.000 0.095 0.000 1.340 418 I HN 0.910 nan 8.210 nan 0.000 0.455 419 S N 3.639 119.478 115.700 0.231 0.000 2.671 419 S HA 0.487 4.955 4.470 -0.004 0.000 0.277 419 S C -0.477 174.169 174.600 0.077 0.000 1.165 419 S CA -0.781 57.543 58.200 0.207 0.000 0.822 419 S CB 1.976 65.294 63.200 0.198 0.000 1.150 419 S HN 0.588 nan 8.310 nan 0.000 0.479 420 N N -0.522 118.214 118.700 0.061 0.000 2.389 420 N HA 0.163 4.901 4.740 -0.004 0.000 0.260 420 N C 0.459 175.929 175.510 -0.066 0.000 1.191 420 N CA -0.286 52.760 53.050 -0.008 0.000 0.885 420 N CB 0.353 38.829 38.487 -0.019 0.000 1.162 420 N HN 0.824 nan 8.380 nan 0.000 0.512 421 E N -0.102 119.904 120.200 -0.322 0.000 2.107 421 E HA -0.184 4.164 4.350 -0.004 0.000 0.191 421 E C -0.320 176.113 176.600 -0.279 0.000 0.982 421 E CA 0.163 56.126 56.400 -0.729 0.000 0.809 421 E CB -0.078 28.512 29.700 -1.851 0.000 0.756 421 E HN 0.378 nan 8.360 nan 0.000 0.459 422 Y N 2.273 122.463 120.300 -0.182 0.000 2.881 422 Y HA -0.162 4.386 4.550 -0.004 0.000 0.335 422 Y C 0.431 176.286 175.900 -0.074 0.000 1.263 422 Y CA 0.942 58.992 58.100 -0.082 0.000 1.572 422 Y CB 0.109 38.552 38.460 -0.029 0.000 1.237 422 Y HN 0.099 nan 8.280 nan 0.000 0.568 423 K N 3.350 123.457 120.400 -0.487 0.000 3.104 423 K HA -0.266 4.051 4.320 -0.004 0.000 0.285 423 K C 0.854 177.371 176.600 -0.138 0.000 1.136 423 K CA 0.857 56.914 56.287 -0.384 0.000 0.842 423 K CB -1.862 30.343 32.500 -0.491 0.000 1.217 423 K HN 1.297 nan 8.250 nan 0.000 0.467 424 G N 0.716 109.454 108.800 -0.103 0.000 2.249 424 G HA2 -0.324 3.634 3.960 -0.004 0.000 0.273 424 G HA3 -0.324 3.634 3.960 -0.004 0.000 0.273 424 G C -0.008 174.863 174.900 -0.047 0.000 1.036 424 G CA 0.754 45.840 45.100 -0.023 0.000 0.824 424 G HN 0.335 nan 8.290 nan 0.000 0.504 425 M N 0.965 120.468 119.600 -0.161 0.000 2.080 425 M HA 0.235 4.713 4.480 -0.004 0.000 0.350 425 M C -0.827 175.236 176.300 -0.395 0.000 1.143 425 M CA -2.046 53.003 55.300 -0.417 0.000 1.064 425 M CB 1.621 34.046 32.600 -0.291 0.000 1.429 425 M HN -0.034 nan 8.290 nan 0.000 0.418 426 P HA -0.100 nan 4.420 nan 0.000 0.225 426 P C 0.980 178.136 177.300 -0.240 0.000 1.148 426 P CA 1.212 64.149 63.100 -0.272 0.000 0.779 426 P CB 0.148 31.702 31.700 -0.242 0.000 0.780 427 G N -0.687 107.901 108.800 -0.354 0.000 3.141 427 G HA2 0.289 4.247 3.960 -0.004 0.000 0.218 427 G HA3 0.289 4.247 3.960 -0.004 0.000 0.218 427 G C 0.701 175.588 174.900 -0.022 0.000 1.170 427 G CA 0.129 45.145 45.100 -0.140 0.000 0.769 427 G HN 0.438 nan 8.290 nan 0.000 0.546 428 G N -0.267 108.466 108.800 -0.112 0.000 2.509 428 G HA2 0.660 4.618 3.960 -0.004 0.000 0.328 428 G HA3 0.660 4.618 3.960 -0.004 0.000 0.328 428 G C -0.858 173.900 174.900 -0.236 0.000 1.194 428 G CA -0.780 44.280 45.100 -0.068 0.000 0.967 428 G HN 0.087 nan 8.290 nan 0.000 0.488 429 R N 0.855 121.180 120.500 -0.292 0.000 2.522 429 R HA 0.397 4.735 4.340 -0.004 0.000 0.283 429 R C -1.387 174.859 176.300 -0.089 0.000 1.074 429 R CA -0.778 55.132 56.100 -0.316 0.000 0.925 429 R CB 2.069 31.937 30.300 -0.720 0.000 1.205 429 R HN 0.597 nan 8.270 nan 0.000 0.436 430 N N 1.596 120.274 118.700 -0.036 0.000 2.284 430 N HA 0.346 5.084 4.740 -0.004 0.000 0.289 430 N C -1.238 174.118 175.510 -0.257 0.000 1.179 430 N CA -0.833 52.110 53.050 -0.178 0.000 0.774 430 N CB 2.750 41.021 38.487 -0.361 0.000 1.548 430 N HN 0.258 nan 8.380 nan 0.000 0.473 431 L N 2.193 123.119 121.223 -0.495 0.000 2.305 431 L HA 0.436 4.774 4.340 -0.004 0.000 0.281 431 L C -1.340 175.136 176.870 -0.657 0.000 1.085 431 L CA 0.102 54.687 54.840 -0.425 0.000 0.813 431 L CB -0.135 41.676 42.059 -0.414 0.000 1.157 431 L HN 0.407 nan 8.230 nan 0.000 0.436 432 Y N 3.671 123.633 120.300 -0.563 0.000 2.562 432 Y HA 0.571 5.119 4.550 -0.004 0.000 0.343 432 Y C -0.291 175.319 175.900 -0.483 0.000 1.025 432 Y CA -0.849 56.873 58.100 -0.630 0.000 1.082 432 Y CB 1.672 39.530 38.460 -1.004 0.000 1.264 432 Y HN 0.451 nan 8.280 nan 0.000 0.478 433 K N 3.045 123.339 120.400 -0.177 0.000 2.463 433 K HA 0.588 4.905 4.320 -0.004 0.000 0.255 433 K C -1.896 174.678 176.600 -0.044 0.000 0.942 433 K CA -0.532 55.595 56.287 -0.266 0.000 0.814 433 K CB 1.555 33.816 32.500 -0.397 0.000 1.122 433 K HN 0.809 nan 8.250 nan 0.000 0.425 434 I N 3.195 123.789 120.570 0.041 0.000 2.433 434 I HA 0.226 4.394 4.170 -0.004 0.000 0.292 434 I C -0.660 175.547 176.117 0.151 0.000 1.001 434 I CA -0.680 60.711 61.300 0.153 0.000 1.119 434 I CB 1.829 39.947 38.000 0.197 0.000 1.289 434 I HN 0.710 nan 8.210 nan 0.000 0.438 435 Q N 6.199 126.087 119.800 0.146 0.000 2.293 435 Q HA 0.210 4.547 4.340 -0.004 0.000 0.263 435 Q C 0.260 176.194 176.000 -0.111 0.000 1.002 435 Q CA -0.226 55.511 55.803 -0.110 0.000 0.910 435 Q CB 1.188 29.899 28.738 -0.045 0.000 1.185 435 Q HN 0.838 nan 8.270 nan 0.000 0.401 436 L N 2.442 123.519 121.223 -0.244 0.000 2.275 436 L HA -0.137 4.200 4.340 -0.004 0.000 0.215 436 L C 1.940 178.671 176.870 -0.231 0.000 1.119 436 L CA 1.174 55.939 54.840 -0.125 0.000 0.790 436 L CB -0.304 41.665 42.059 -0.150 0.000 0.919 436 L HN 0.670 nan 8.230 nan 0.000 0.443 437 S N -2.697 112.847 115.700 -0.260 0.000 2.575 437 S HA 0.025 4.493 4.470 -0.004 0.000 0.215 437 S C 0.286 174.715 174.600 -0.286 0.000 0.966 437 S CA -0.189 57.858 58.200 -0.256 0.000 0.911 437 S CB 0.116 63.205 63.200 -0.185 0.000 0.780 437 S HN 0.348 nan 8.310 nan 0.000 0.514 438 D N -0.111 120.121 120.400 -0.280 0.000 2.362 438 D HA 0.211 4.849 4.640 -0.004 0.000 0.232 438 D C -0.425 175.834 176.300 -0.068 0.000 1.329 438 D CA -0.530 53.342 54.000 -0.212 0.000 0.944 438 D CB -0.088 40.649 40.800 -0.105 0.000 1.471 438 D HN -0.057 nan 8.370 nan 0.000 0.533 439 Y N 0.913 121.196 120.300 -0.027 0.000 2.569 439 Y HA -0.078 4.469 4.550 -0.004 0.000 0.293 439 Y C 2.536 178.446 175.900 0.016 0.000 1.144 439 Y CA 1.483 59.579 58.100 -0.007 0.000 1.321 439 Y CB -0.895 37.560 38.460 -0.008 0.000 0.982 439 Y HN 0.461 nan 8.280 nan 0.000 0.558 440 T N -3.011 111.626 114.554 0.138 0.000 3.113 440 T HA 0.011 4.359 4.350 -0.004 0.000 0.256 440 T C 0.620 175.374 174.700 0.090 0.000 1.131 440 T CA 0.106 62.264 62.100 0.098 0.000 1.074 440 T CB -0.067 68.833 68.868 0.054 0.000 0.944 440 T HN -0.153 nan 8.240 nan 0.000 0.516 441 K N 2.355 122.813 120.400 0.096 0.000 2.300 441 K HA 0.543 4.861 4.320 -0.004 0.000 0.264 441 K C -1.214 175.460 176.600 0.122 0.000 1.083 441 K CA -0.387 55.955 56.287 0.092 0.000 0.958 441 K CB 1.370 33.916 32.500 0.077 0.000 1.318 441 K HN 0.153 nan 8.250 nan 0.000 0.448 442 V N 2.524 122.507 119.914 0.116 0.000 2.483 442 V HA 0.347 4.465 4.120 -0.004 0.000 0.297 442 V C -0.214 175.939 176.094 0.099 0.000 1.027 442 V CA -0.689 61.692 62.300 0.136 0.000 0.855 442 V CB 2.091 34.019 31.823 0.176 0.000 0.995 442 V HN 0.583 nan 8.190 nan 0.000 0.424 443 T N 3.276 117.860 114.554 0.050 0.000 2.807 443 T HA 0.265 4.613 4.350 -0.004 0.000 0.279 443 T C -0.424 174.208 174.700 -0.113 0.000 0.993 443 T CA -0.294 61.788 62.100 -0.029 0.000 0.970 443 T CB 1.396 70.213 68.868 -0.086 0.000 0.950 443 T HN 0.759 nan 8.240 nan 0.000 0.441 444 C N 5.428 124.592 119.300 -0.226 0.000 2.373 444 C HA 0.411 4.869 4.460 -0.004 0.000 0.354 444 C C 1.698 176.367 174.990 -0.536 0.000 1.249 444 C CA -0.619 58.006 59.018 -0.655 0.000 1.784 444 C CB -1.992 25.285 27.740 -0.772 0.000 2.408 444 C HN 0.985 nan 8.230 nan 0.000 0.542 445 L N 4.684 125.572 121.223 -0.558 0.000 2.492 445 L HA 0.049 4.387 4.340 -0.004 0.000 0.223 445 L C 2.178 178.730 176.870 -0.530 0.000 1.132 445 L CA 1.107 55.689 54.840 -0.430 0.000 0.850 445 L CB -0.268 41.583 42.059 -0.347 0.000 0.966 445 L HN 0.904 nan 8.230 nan 0.000 0.454 446 S N -3.237 112.031 115.700 -0.719 0.000 2.593 446 S HA -0.018 4.449 4.470 -0.004 0.000 0.235 446 S C 1.899 176.083 174.600 -0.694 0.000 1.059 446 S CA -0.047 57.625 58.200 -0.881 0.000 0.953 446 S CB -0.309 61.986 63.200 -1.509 0.000 0.897 446 S HN 0.299 nan 8.310 nan 0.000 0.507 447 C N 2.259 121.127 119.300 -0.720 0.000 2.363 447 C HA -0.071 4.387 4.460 -0.004 0.000 0.274 447 C C 2.475 177.164 174.990 -0.501 0.000 1.183 447 C CA 1.644 60.167 59.018 -0.826 0.000 1.771 447 C CB -1.185 25.843 27.740 -1.186 0.000 2.059 447 C HN 0.606 nan 8.230 nan 0.000 0.455 448 E N 0.057 120.050 120.200 -0.345 0.000 2.479 448 E HA 0.171 4.519 4.350 -0.004 0.000 0.193 448 E C 1.861 178.403 176.600 -0.096 0.000 1.049 448 E CA -0.053 56.252 56.400 -0.159 0.000 0.870 448 E CB -0.279 29.350 29.700 -0.119 0.000 0.944 448 E HN 0.573 nan 8.360 nan 0.000 0.492 449 L N 0.175 121.332 121.223 -0.110 0.000 2.042 449 L HA -0.106 4.232 4.340 -0.004 0.000 0.210 449 L C 0.951 177.828 176.870 0.011 0.000 1.076 449 L CA 0.960 55.777 54.840 -0.039 0.000 0.749 449 L CB -0.042 42.005 42.059 -0.021 0.000 0.893 449 L HN 0.131 nan 8.230 nan 0.000 0.432 450 N N -1.510 117.211 118.700 0.035 0.000 3.029 450 N HA 0.066 4.803 4.740 -0.004 0.000 0.198 450 N C -2.106 173.426 175.510 0.036 0.000 1.444 450 N CA -0.771 52.295 53.050 0.027 0.000 0.784 450 N CB 0.709 39.207 38.487 0.018 0.000 1.539 450 N HN -0.173 nan 8.380 nan 0.000 0.582 451 P HA -0.142 nan 4.420 nan 0.000 0.218 451 P C 0.534 177.878 177.300 0.072 0.000 1.146 451 P CA 1.312 64.464 63.100 0.087 0.000 0.813 451 P CB 0.631 32.404 31.700 0.121 0.000 0.778 452 E N -0.376 119.845 120.200 0.035 0.000 2.140 452 E HA -0.048 4.299 4.350 -0.004 0.000 0.191 452 E C 2.354 178.948 176.600 -0.010 0.000 0.973 452 E CA 0.339 56.749 56.400 0.018 0.000 0.829 452 E CB -0.136 29.569 29.700 0.008 0.000 0.781 452 E HN 0.235 nan 8.360 nan 0.000 0.466 453 R N 0.172 120.654 120.500 -0.030 0.000 2.189 453 R HA 0.100 4.438 4.340 -0.004 0.000 0.203 453 R C -0.139 176.096 176.300 -0.108 0.000 1.012 453 R CA 0.426 56.482 56.100 -0.074 0.000 1.015 453 R CB 0.515 30.764 30.300 -0.085 0.000 0.938 453 R HN 0.043 nan 8.270 nan 0.000 0.472 454 c N 1.039 119.581 118.600 -0.097 0.000 2.344 454 c HA 0.425 4.993 4.570 -0.004 0.000 0.326 454 c C 0.084 174.103 174.090 -0.118 0.000 1.201 454 c CA -0.691 55.507 56.329 -0.218 0.000 1.410 454 c CB 1.419 43.734 42.510 -0.325 0.000 2.070 454 c HN 0.513 nan 8.230 nan 0.000 0.445 455 Q N 0.436 120.170 119.800 -0.109 0.000 2.113 455 Q HA 0.165 4.503 4.340 -0.004 0.000 0.225 455 Q C -0.967 175.067 176.000 0.057 0.000 0.786 455 Q CA 0.093 55.922 55.803 0.043 0.000 0.989 455 Q CB 1.423 30.218 28.738 0.096 0.000 1.174 455 Q HN 0.795 nan 8.270 nan 0.000 0.470 456 Y N 0.496 120.660 120.300 -0.226 0.000 2.402 456 Y HA 0.363 4.911 4.550 -0.004 0.000 0.325 456 Y C -1.476 174.276 175.900 -0.247 0.000 1.009 456 Y CA -1.021 56.989 58.100 -0.149 0.000 1.278 456 Y CB 0.658 39.046 38.460 -0.120 0.000 1.105 456 Y HN -0.082 nan 8.280 nan 0.000 0.476 457 Y N 1.823 122.069 120.300 -0.091 0.000 2.496 457 Y HA 0.699 5.247 4.550 -0.004 0.000 0.331 457 Y C 0.311 176.176 175.900 -0.059 0.000 1.140 457 Y CA -0.498 57.559 58.100 -0.073 0.000 1.166 457 Y CB 2.312 40.687 38.460 -0.142 0.000 1.249 457 Y HN 0.410 nan 8.280 nan 0.000 0.479 458 S N 0.573 116.387 115.700 0.189 0.000 2.564 458 S HA 0.770 5.238 4.470 -0.004 0.000 0.274 458 S C -1.819 172.849 174.600 0.112 0.000 1.124 458 S CA -0.639 57.641 58.200 0.133 0.000 0.869 458 S CB 1.653 64.940 63.200 0.145 0.000 1.105 458 S HN 0.481 nan 8.310 nan 0.000 0.472 459 V N 1.855 121.823 119.914 0.089 0.000 3.078 459 V HA 0.904 5.022 4.120 -0.004 0.000 0.311 459 V C -1.136 175.007 176.094 0.082 0.000 1.138 459 V CA -0.295 62.016 62.300 0.018 0.000 1.007 459 V CB 2.386 34.119 31.823 -0.150 0.000 1.045 459 V HN 0.799 nan 8.190 nan 0.000 0.432 460 S N 4.420 120.153 115.700 0.054 0.000 2.721 460 S HA 0.613 5.080 4.470 -0.004 0.000 0.264 460 S C -1.104 173.621 174.600 0.209 0.000 1.161 460 S CA -0.420 57.923 58.200 0.238 0.000 1.113 460 S CB 0.188 63.595 63.200 0.345 0.000 1.079 460 S HN 0.504 nan 8.310 nan 0.000 0.479 461 F N 3.021 123.026 119.950 0.092 0.000 2.410 461 F HA 0.406 4.931 4.527 -0.004 0.000 0.334 461 F C 1.555 176.932 175.800 -0.705 0.000 1.134 461 F CA -0.108 57.780 58.000 -0.187 0.000 1.227 461 F CB 1.019 39.894 39.000 -0.208 0.000 1.194 461 F HN 0.607 nan 8.300 nan 0.000 0.571 462 S N 1.697 116.775 115.700 -1.036 0.000 2.641 462 S HA 0.193 4.661 4.470 -0.004 0.000 0.261 462 S C 1.248 175.614 174.600 -0.391 0.000 1.257 462 S CA -0.811 56.505 58.200 -1.474 0.000 0.983 462 S CB 0.710 63.149 63.200 -1.268 0.000 0.990 462 S HN 0.504 nan 8.310 nan 0.000 0.572 463 K N 0.861 121.184 120.400 -0.128 0.000 2.034 463 K HA -0.091 4.227 4.320 -0.004 0.000 0.214 463 K C 1.008 177.620 176.600 0.021 0.000 1.051 463 K CA 1.625 57.927 56.287 0.024 0.000 0.931 463 K CB -0.553 32.002 32.500 0.091 0.000 0.715 463 K HN 0.657 nan 8.250 nan 0.000 0.446 464 E N -0.694 119.513 120.200 0.010 0.000 2.496 464 E HA 0.255 4.603 4.350 -0.004 0.000 0.202 464 E C -0.058 176.532 176.600 -0.016 0.000 1.021 464 E CA 0.037 56.448 56.400 0.019 0.000 1.015 464 E CB 0.376 30.104 29.700 0.046 0.000 1.102 464 E HN 0.243 nan 8.360 nan 0.000 0.452 465 A N 1.178 123.969 122.820 -0.049 0.000 2.826 465 A HA -0.326 3.992 4.320 -0.004 0.000 0.274 465 A C 1.567 179.145 177.584 -0.010 0.000 1.443 465 A CA 1.671 53.695 52.037 -0.022 0.000 0.833 465 A CB -1.978 16.895 19.000 -0.213 0.000 1.023 465 A HN 0.297 nan 8.150 nan 0.000 0.600 466 K N -1.913 118.430 120.400 -0.096 0.000 2.217 466 K HA 0.070 4.388 4.320 -0.004 0.000 0.202 466 K C 0.029 176.304 176.600 -0.543 0.000 1.051 466 K CA 1.387 57.515 56.287 -0.264 0.000 0.952 466 K CB -0.013 32.343 32.500 -0.241 0.000 0.736 466 K HN 0.678 nan 8.250 nan 0.000 0.453 467 Y N -1.031 119.211 120.300 -0.098 0.000 2.581 467 Y HA 0.314 4.862 4.550 -0.003 0.000 0.345 467 Y C -1.048 174.769 175.900 -0.138 0.000 1.036 467 Y CA -1.331 56.696 58.100 -0.122 0.000 1.042 467 Y CB 1.735 40.148 38.460 -0.078 0.000 1.289 467 Y HN -0.040 nan 8.280 nan 0.000 0.471 468 Y N -0.927 119.358 120.300 -0.025 0.000 2.479 468 Y HA 0.505 5.053 4.550 -0.004 0.000 0.338 468 Y C -1.181 174.733 175.900 0.023 0.000 1.055 468 Y CA -1.425 56.523 58.100 -0.253 0.000 1.023 468 Y CB 1.409 39.258 38.460 -1.019 0.000 1.287 468 Y HN 0.596 nan 8.280 nan 0.000 0.447 469 Q N 4.171 124.111 119.800 0.233 0.000 2.278 469 Q HA 0.554 4.892 4.340 -0.004 0.000 0.257 469 Q C -1.722 174.373 176.000 0.158 0.000 0.928 469 Q CA -0.647 55.247 55.803 0.152 0.000 0.932 469 Q CB 1.243 30.033 28.738 0.086 0.000 1.221 469 Q HN 0.971 nan 8.270 nan 0.000 0.434 470 L N 4.060 125.399 121.223 0.193 0.000 2.309 470 L HA 0.546 4.883 4.340 -0.004 0.000 0.282 470 L C -0.088 176.861 176.870 0.132 0.000 1.036 470 L CA -0.574 54.369 54.840 0.173 0.000 0.806 470 L CB 1.572 43.733 42.059 0.170 0.000 1.220 470 L HN 0.611 nan 8.230 nan 0.000 0.429 471 R N 3.047 123.610 120.500 0.105 0.000 2.371 471 R HA 0.327 4.665 4.340 -0.004 0.000 0.312 471 R C -1.085 175.100 176.300 -0.192 0.000 0.980 471 R CA -0.482 55.537 56.100 -0.136 0.000 0.867 471 R CB 1.272 31.555 30.300 -0.028 0.000 1.163 471 R HN 0.729 nan 8.270 nan 0.000 0.492 472 c N 4.156 122.511 118.600 -0.408 0.000 2.325 472 c HA 0.390 4.958 4.570 -0.004 0.000 0.347 472 c C 1.411 175.258 174.090 -0.405 0.000 1.263 472 c CA -0.201 55.784 56.329 -0.574 0.000 1.806 472 c CB 0.375 42.521 42.510 -0.606 0.000 2.405 472 c HN 0.952 nan 8.230 nan 0.000 0.537 473 S N 3.856 119.404 115.700 -0.255 0.000 2.559 473 S HA 0.580 5.048 4.470 -0.004 0.000 0.226 473 S C 0.481 175.022 174.600 -0.098 0.000 1.000 473 S CA 0.275 58.387 58.200 -0.147 0.000 0.948 473 S CB 0.117 63.263 63.200 -0.090 0.000 0.870 473 S HN 1.795 nan 8.310 nan 0.000 0.497 474 G N 1.553 110.278 108.800 -0.125 0.000 2.328 474 G HA2 0.426 4.384 3.960 -0.004 0.000 0.295 474 G HA3 0.426 4.384 3.960 -0.004 0.000 0.295 474 G C -3.007 171.850 174.900 -0.071 0.000 1.413 474 G CA -0.550 44.516 45.100 -0.057 0.000 0.817 474 G HN -0.131 nan 8.290 nan 0.000 0.546 475 P HA 0.125 nan 4.420 nan 0.000 0.231 475 P C 1.248 178.533 177.300 -0.026 0.000 1.168 475 P CA 1.210 64.318 63.100 0.014 0.000 0.779 475 P CB 0.457 32.170 31.700 0.022 0.000 0.844 476 G N 0.428 109.144 108.800 -0.140 0.000 2.510 476 G HA2 0.401 4.359 3.960 -0.004 0.000 0.280 476 G HA3 0.401 4.359 3.960 -0.004 0.000 0.280 476 G C -0.296 174.310 174.900 -0.491 0.000 1.386 476 G CA -0.755 44.172 45.100 -0.287 0.000 1.047 476 G HN 0.040 nan 8.290 nan 0.000 0.527 477 L N 1.260 122.139 121.223 -0.572 0.000 2.456 477 L HA 0.154 4.492 4.340 -0.004 0.000 0.272 477 L C -1.839 174.871 176.870 -0.267 0.000 1.189 477 L CA -1.243 53.267 54.840 -0.551 0.000 0.846 477 L CB 0.718 42.547 42.059 -0.383 0.000 1.111 477 L HN 0.240 nan 8.230 nan 0.000 0.475 478 P HA 0.014 nan 4.420 nan 0.000 0.265 478 P C -0.964 176.246 177.300 -0.150 0.000 1.187 478 P CA 0.062 63.067 63.100 -0.157 0.000 0.766 478 P CB 0.545 32.236 31.700 -0.015 0.000 0.820 479 L N 4.627 125.665 121.223 -0.309 0.000 2.438 479 L HA 0.486 4.824 4.340 -0.004 0.000 0.270 479 L C -1.765 174.917 176.870 -0.313 0.000 0.972 479 L CA -0.588 54.149 54.840 -0.171 0.000 0.831 479 L CB 1.094 43.077 42.059 -0.126 0.000 1.273 479 L HN 0.220 nan 8.230 nan 0.000 0.405 480 Y N 2.568 122.836 120.300 -0.053 0.000 2.335 480 Y HA 0.756 5.304 4.550 -0.003 0.000 0.338 480 Y C 0.436 176.238 175.900 -0.163 0.000 0.977 480 Y CA -0.586 57.464 58.100 -0.084 0.000 1.114 480 Y CB 2.104 40.497 38.460 -0.112 0.000 1.182 480 Y HN 0.660 nan 8.280 nan 0.000 0.463 481 T N 0.697 115.248 114.554 -0.006 0.000 2.906 481 T HA 0.711 5.058 4.350 -0.004 0.000 0.295 481 T C -1.488 173.069 174.700 -0.239 0.000 1.075 481 T CA -0.884 61.128 62.100 -0.146 0.000 1.005 481 T CB 1.978 70.810 68.868 -0.059 0.000 1.136 481 T HN 0.388 nan 8.240 nan 0.000 0.498 482 L N 1.892 122.839 121.223 -0.460 0.000 2.329 482 L HA 0.612 4.950 4.340 -0.004 0.000 0.279 482 L C -0.760 175.692 176.870 -0.695 0.000 1.014 482 L CA -0.321 54.286 54.840 -0.389 0.000 0.814 482 L CB 1.087 42.985 42.059 -0.269 0.000 1.257 482 L HN 0.808 nan 8.230 nan 0.000 0.424 483 H N 1.684 120.529 119.070 -0.375 0.000 2.821 483 H HA 0.339 4.893 4.556 -0.003 0.000 0.373 483 H C -1.071 173.988 175.328 -0.448 0.000 1.165 483 H CA -0.806 54.907 56.048 -0.560 0.000 1.154 483 H CB 2.251 31.349 29.762 -1.105 0.000 1.765 483 H HN 0.499 nan 8.280 nan 0.000 0.549 484 S N 0.632 116.245 115.700 -0.145 0.000 2.457 484 S HA 0.136 4.604 4.470 -0.004 0.000 0.289 484 S C 0.859 175.392 174.600 -0.112 0.000 1.163 484 S CA -0.513 57.628 58.200 -0.099 0.000 1.078 484 S CB 0.741 63.933 63.200 -0.013 0.000 0.987 484 S HN 0.608 nan 8.310 nan 0.000 0.482 485 S N 3.751 119.390 115.700 -0.102 0.000 2.406 485 S HA -0.091 4.377 4.470 -0.004 0.000 0.228 485 S C 1.929 176.551 174.600 0.035 0.000 1.020 485 S CA 0.924 59.194 58.200 0.116 0.000 0.965 485 S CB -0.263 63.010 63.200 0.122 0.000 0.798 485 S HN 0.704 nan 8.310 nan 0.000 0.488 486 V N 3.706 123.586 119.914 -0.056 0.000 2.469 486 V HA -0.175 3.943 4.120 -0.004 0.000 0.251 486 V C 1.182 177.270 176.094 -0.011 0.000 1.064 486 V CA 2.223 64.505 62.300 -0.031 0.000 1.066 486 V CB -0.522 31.266 31.823 -0.057 0.000 0.667 486 V HN 0.823 nan 8.190 nan 0.000 0.461 487 N N -3.516 115.178 118.700 -0.011 0.000 2.082 487 N HA 0.061 4.799 4.740 -0.004 0.000 0.228 487 N C -0.109 175.403 175.510 0.003 0.000 1.341 487 N CA 0.348 53.395 53.050 -0.005 0.000 0.873 487 N CB 0.672 39.157 38.487 -0.004 0.000 1.137 487 N HN 0.273 nan 8.380 nan 0.000 0.505 488 D N 0.620 121.038 120.400 0.030 0.000 3.012 488 D HA -0.112 4.526 4.640 -0.004 0.000 0.222 488 D C -0.578 175.747 176.300 0.041 0.000 1.167 488 D CA 1.111 55.151 54.000 0.067 0.000 0.854 488 D CB -0.507 40.316 40.800 0.040 0.000 1.107 488 D HN 0.379 nan 8.370 nan 0.000 0.421 489 K N 0.449 120.863 120.400 0.022 0.000 2.185 489 K HA 0.480 4.798 4.320 -0.004 0.000 0.271 489 K C 0.960 177.583 176.600 0.038 0.000 1.013 489 K CA -0.289 56.013 56.287 0.025 0.000 0.943 489 K CB 0.959 33.461 32.500 0.003 0.000 0.998 489 K HN 0.107 nan 8.250 nan 0.000 0.468 490 G N 2.197 111.021 108.800 0.041 0.000 2.364 490 G HA2 0.247 4.205 3.960 -0.004 0.000 0.267 490 G HA3 0.247 4.205 3.960 -0.004 0.000 0.267 490 G C 0.900 175.695 174.900 -0.175 0.000 1.233 490 G CA -0.397 44.634 45.100 -0.115 0.000 0.885 490 G HN 0.508 nan 8.290 nan 0.000 0.490 491 L N 1.666 122.723 121.223 -0.277 0.000 2.168 491 L HA 0.324 4.662 4.340 -0.004 0.000 0.203 491 L C 1.561 178.330 176.870 -0.167 0.000 1.078 491 L CA 0.686 55.423 54.840 -0.172 0.000 0.780 491 L CB -0.133 41.835 42.059 -0.152 0.000 0.939 491 L HN 0.781 nan 8.230 nan 0.000 0.451 492 R N -2.018 118.336 120.500 -0.242 0.000 2.828 492 R HA 0.368 4.706 4.340 -0.004 0.000 0.280 492 R C -1.756 174.403 176.300 -0.236 0.000 1.020 492 R CA -0.878 55.107 56.100 -0.191 0.000 0.855 492 R CB 1.174 31.385 30.300 -0.149 0.000 1.278 492 R HN -0.275 nan 8.270 nan 0.000 0.495 493 V N 2.578 122.387 119.914 -0.174 0.000 2.546 493 V HA 0.239 4.357 4.120 -0.004 0.000 0.284 493 V C 1.093 177.053 176.094 -0.224 0.000 1.050 493 V CA -0.432 61.770 62.300 -0.164 0.000 0.981 493 V CB 1.343 33.111 31.823 -0.093 0.000 0.990 493 V HN 0.661 nan 8.190 nan 0.000 0.474 494 L N 2.072 123.110 121.223 -0.309 0.000 2.388 494 L HA 0.385 4.723 4.340 -0.004 0.000 0.209 494 L C 0.510 177.214 176.870 -0.275 0.000 1.061 494 L CA 0.481 54.983 54.840 -0.562 0.000 0.834 494 L CB 0.366 41.679 42.059 -1.243 0.000 1.029 494 L HN 0.699 nan 8.230 nan 0.000 0.473 495 E N -0.063 120.091 120.200 -0.077 0.000 2.406 495 E HA 0.099 4.447 4.350 -0.004 0.000 0.297 495 E C -1.228 175.454 176.600 0.138 0.000 0.917 495 E CA -0.294 56.153 56.400 0.079 0.000 0.795 495 E CB 1.085 30.855 29.700 0.117 0.000 1.285 495 E HN 0.167 nan 8.360 nan 0.000 0.400 496 D N 2.806 123.253 120.400 0.080 0.000 2.469 496 D HA 0.172 4.810 4.640 -0.004 0.000 0.213 496 D C -0.163 176.163 176.300 0.043 0.000 1.135 496 D CA -0.207 53.823 54.000 0.049 0.000 0.834 496 D CB 0.088 40.894 40.800 0.009 0.000 1.009 496 D HN 0.424 nan 8.370 nan 0.000 0.507 497 N N 0.246 118.989 118.700 0.071 0.000 2.747 497 N HA -0.218 4.520 4.740 -0.004 0.000 0.249 497 N C 1.025 176.553 175.510 0.030 0.000 1.107 497 N CA 0.911 53.997 53.050 0.060 0.000 0.707 497 N CB -1.394 37.125 38.487 0.054 0.000 1.054 497 N HN 0.474 nan 8.380 nan 0.000 0.555 498 S N -0.898 114.819 115.700 0.027 0.000 2.368 498 S HA -0.088 4.380 4.470 -0.004 0.000 0.225 498 S C 2.139 176.758 174.600 0.032 0.000 1.030 498 S CA 1.182 59.393 58.200 0.018 0.000 0.999 498 S CB -0.285 62.925 63.200 0.018 0.000 0.844 498 S HN 0.506 nan 8.310 nan 0.000 0.459 499 A N 2.104 124.952 122.820 0.047 0.000 1.892 499 A HA -0.038 4.279 4.320 -0.004 0.000 0.218 499 A C 2.288 179.919 177.584 0.077 0.000 1.188 499 A CA 1.854 53.927 52.037 0.060 0.000 0.631 499 A CB -1.002 18.037 19.000 0.066 0.000 0.822 499 A HN 0.580 nan 8.150 nan 0.000 0.447 500 L N 0.128 121.401 121.223 0.084 0.000 2.093 500 L HA -0.105 4.233 4.340 -0.004 0.000 0.208 500 L C 1.889 178.796 176.870 0.062 0.000 1.085 500 L CA 2.743 57.649 54.840 0.109 0.000 0.755 500 L CB -0.668 41.464 42.059 0.120 0.000 0.904 500 L HN 0.493 nan 8.230 nan 0.000 0.435 501 D N -0.573 119.839 120.400 0.020 0.000 2.144 501 D HA -0.267 4.370 4.640 -0.004 0.000 0.199 501 D C 2.237 178.540 176.300 0.005 0.000 0.984 501 D CA 1.470 55.462 54.000 -0.015 0.000 0.834 501 D CB -0.068 40.714 40.800 -0.031 0.000 0.955 501 D HN 0.345 nan 8.370 nan 0.000 0.465 502 K N -0.475 119.942 120.400 0.028 0.000 2.057 502 K HA -0.119 4.198 4.320 -0.004 0.000 0.206 502 K C 2.203 178.836 176.600 0.055 0.000 1.050 502 K CA 0.991 57.301 56.287 0.037 0.000 0.935 502 K CB -0.097 32.430 32.500 0.044 0.000 0.715 502 K HN 0.232 nan 8.250 nan 0.000 0.439 503 M N 0.779 120.434 119.600 0.091 0.000 2.117 503 M HA -0.160 4.317 4.480 -0.004 0.000 0.262 503 M C 2.061 178.394 176.300 0.054 0.000 1.065 503 M CA 1.403 56.792 55.300 0.148 0.000 1.114 503 M CB -0.240 32.538 32.600 0.297 0.000 1.361 503 M HN 0.160 nan 8.290 nan 0.000 0.408 504 L N 0.043 121.247 121.223 -0.032 0.000 2.450 504 L HA -0.193 4.145 4.340 -0.004 0.000 0.224 504 L C 2.537 179.365 176.870 -0.070 0.000 1.149 504 L CA 0.503 55.261 54.840 -0.136 0.000 0.816 504 L CB -0.635 41.361 42.059 -0.105 0.000 0.932 504 L HN 0.398 nan 8.230 nan 0.000 0.449 505 Q N 0.357 120.145 119.800 -0.019 0.000 2.124 505 Q HA -0.117 4.221 4.340 -0.004 0.000 0.202 505 Q C 1.248 177.254 176.000 0.010 0.000 0.977 505 Q CA 1.102 56.904 55.803 -0.002 0.000 0.850 505 Q CB -0.281 28.465 28.738 0.013 0.000 0.901 505 Q HN 0.653 nan 8.270 nan 0.000 0.429 506 N N 0.397 119.112 118.700 0.025 0.000 2.362 506 N HA 0.066 4.804 4.740 -0.004 0.000 0.204 506 N C -0.297 175.239 175.510 0.043 0.000 1.166 506 N CA 0.120 53.197 53.050 0.046 0.000 0.831 506 N CB 0.973 39.504 38.487 0.073 0.000 1.008 506 N HN -0.044 nan 8.380 nan 0.000 0.472 507 V N 0.750 120.664 119.914 -0.001 0.000 2.735 507 V HA 0.197 4.315 4.120 -0.004 0.000 0.310 507 V C 0.125 176.211 176.094 -0.013 0.000 1.061 507 V CA -0.896 61.399 62.300 -0.007 0.000 0.913 507 V CB 2.644 34.399 31.823 -0.112 0.000 1.005 507 V HN 0.019 nan 8.190 nan 0.000 0.428 508 Q N 3.871 123.674 119.800 0.006 0.000 2.837 508 Q HA 0.315 4.653 4.340 -0.004 0.000 0.235 508 Q C -0.423 175.538 176.000 -0.065 0.000 1.348 508 Q CA -0.270 55.506 55.803 -0.045 0.000 0.990 508 Q CB 0.321 29.032 28.738 -0.045 0.000 1.570 508 Q HN 0.540 nan 8.270 nan 0.000 0.575 509 M N 3.182 122.737 119.600 -0.074 0.000 2.243 509 M HA 0.244 4.722 4.480 -0.004 0.000 0.341 509 M C -1.826 174.406 176.300 -0.112 0.000 1.130 509 M CA -2.054 53.194 55.300 -0.086 0.000 1.162 509 M CB -0.277 32.277 32.600 -0.077 0.000 1.497 509 M HN 0.254 nan 8.290 nan 0.000 0.456 510 P HA 0.245 nan 4.420 nan 0.000 0.277 510 P C -0.803 176.422 177.300 -0.126 0.000 1.271 510 P CA -0.359 62.654 63.100 -0.144 0.000 0.795 510 P CB 0.675 32.278 31.700 -0.163 0.000 1.101 511 S N -1.242 114.370 115.700 -0.146 0.000 2.648 511 S HA 0.626 5.094 4.470 -0.004 0.000 0.305 511 S C -0.598 173.916 174.600 -0.143 0.000 1.094 511 S CA -0.793 57.336 58.200 -0.119 0.000 0.983 511 S CB 1.927 65.058 63.200 -0.114 0.000 1.101 511 S HN 0.527 nan 8.310 nan 0.000 0.514 512 K N 0.462 120.803 120.400 -0.098 0.000 2.324 512 K HA 0.463 4.781 4.320 -0.004 0.000 0.253 512 K C -1.396 175.155 176.600 -0.082 0.000 0.932 512 K CA -0.678 55.553 56.287 -0.092 0.000 0.799 512 K CB 1.167 33.637 32.500 -0.049 0.000 1.154 512 K HN 0.501 nan 8.250 nan 0.000 0.425 513 K N 4.663 125.009 120.400 -0.091 0.000 2.358 513 K HA 0.330 4.648 4.320 -0.004 0.000 0.260 513 K C -1.705 174.860 176.600 -0.058 0.000 0.956 513 K CA -0.815 55.427 56.287 -0.075 0.000 0.834 513 K CB 1.148 33.586 32.500 -0.104 0.000 1.102 513 K HN 0.562 nan 8.250 nan 0.000 0.431 514 L N 3.992 125.198 121.223 -0.028 0.000 2.325 514 L HA 0.527 4.865 4.340 -0.004 0.000 0.281 514 L C -0.796 176.081 176.870 0.011 0.000 1.004 514 L CA 0.157 55.009 54.840 0.019 0.000 0.823 514 L CB 1.193 43.326 42.059 0.123 0.000 1.236 514 L HN 0.670 nan 8.230 nan 0.000 0.415 515 D N 2.881 123.130 120.400 -0.252 0.000 2.946 515 D HA 0.541 5.179 4.640 -0.004 0.000 0.337 515 D C -1.566 174.372 176.300 -0.604 0.000 1.332 515 D CA 0.025 53.785 54.000 -0.400 0.000 0.935 515 D CB 1.394 41.925 40.800 -0.448 0.000 1.440 515 D HN 0.237 nan 8.370 nan 0.000 0.540 516 F N -0.369 119.251 119.950 -0.551 0.000 2.685 516 F HA 0.729 5.253 4.527 -0.004 0.000 0.315 516 F C -1.061 174.802 175.800 0.106 0.000 1.126 516 F CA -1.120 56.668 58.000 -0.353 0.000 0.950 516 F CB 0.948 39.297 39.000 -1.086 0.000 1.360 516 F HN 0.320 nan 8.300 nan 0.000 0.469 517 I N -0.013 120.839 120.570 0.471 0.000 2.892 517 I HA 0.715 4.883 4.170 -0.004 0.000 0.306 517 I C -1.492 174.865 176.117 0.400 0.000 1.078 517 I CA -1.237 60.267 61.300 0.340 0.000 1.032 517 I CB 2.494 40.646 38.000 0.254 0.000 1.229 517 I HN 0.655 nan 8.210 nan 0.000 0.435 518 I N 4.783 125.522 120.570 0.283 0.000 2.359 518 I HA 0.475 4.643 4.170 -0.004 0.000 0.294 518 I C -0.819 175.430 176.117 0.220 0.000 0.987 518 I CA -0.625 60.816 61.300 0.235 0.000 1.225 518 I CB 1.680 39.781 38.000 0.169 0.000 1.366 518 I HN 0.392 nan 8.210 nan 0.000 0.466 519 L N 6.241 127.636 121.223 0.287 0.000 2.441 519 L HA 0.404 4.742 4.340 -0.004 0.000 0.270 519 L C -0.442 176.566 176.870 0.230 0.000 0.973 519 L CA -0.697 54.299 54.840 0.261 0.000 0.842 519 L CB 1.556 43.815 42.059 0.333 0.000 1.239 519 L HN 0.604 nan 8.230 nan 0.000 0.406 520 N N 2.510 121.283 118.700 0.122 0.000 2.740 520 N HA -0.192 4.546 4.740 -0.004 0.000 0.248 520 N C 0.113 175.657 175.510 0.057 0.000 1.062 520 N CA 1.174 54.272 53.050 0.081 0.000 0.704 520 N CB -0.725 37.814 38.487 0.087 0.000 0.968 520 N HN 0.788 nan 8.380 nan 0.000 0.547 521 E N -4.427 115.801 120.200 0.047 0.000 3.673 521 E HA -0.229 4.119 4.350 -0.004 0.000 0.309 521 E C -0.372 176.211 176.600 -0.028 0.000 0.819 521 E CA 1.590 57.999 56.400 0.014 0.000 1.111 521 E CB -1.938 27.765 29.700 0.005 0.000 1.561 521 E HN 0.554 nan 8.360 nan 0.000 0.450 522 T N 1.013 115.541 114.554 -0.043 0.000 2.829 522 T HA 0.425 4.773 4.350 -0.004 0.000 0.280 522 T C 0.168 174.664 174.700 -0.340 0.000 0.999 522 T CA -0.669 61.296 62.100 -0.226 0.000 0.983 522 T CB 1.626 70.291 68.868 -0.339 0.000 0.968 522 T HN -0.030 nan 8.240 nan 0.000 0.446 523 K N 2.193 122.339 120.400 -0.424 0.000 2.249 523 K HA 0.498 4.815 4.320 -0.004 0.000 0.280 523 K C -1.032 175.238 176.600 -0.551 0.000 1.033 523 K CA -0.156 55.887 56.287 -0.406 0.000 0.946 523 K CB 0.691 32.828 32.500 -0.605 0.000 1.005 523 K HN 0.450 nan 8.250 nan 0.000 0.469 524 F N 1.784 121.759 119.950 0.041 0.000 2.536 524 F HA 0.282 4.807 4.527 -0.004 0.000 0.322 524 F C -0.662 175.195 175.800 0.095 0.000 1.144 524 F CA -0.933 57.112 58.000 0.076 0.000 0.924 524 F CB 1.037 40.121 39.000 0.140 0.000 1.181 524 F HN 0.439 nan 8.300 nan 0.000 0.438 525 W N 3.649 125.079 121.300 0.218 0.000 2.237 525 W HA 0.495 5.153 4.660 -0.004 0.000 0.335 525 W C -0.541 176.152 176.519 0.290 0.000 1.230 525 W CA -0.446 57.045 57.345 0.243 0.000 1.253 525 W CB 0.496 30.037 29.460 0.135 0.000 1.129 525 W HN 0.443 nan 8.180 nan 0.000 0.590 526 Y N -0.753 119.858 120.300 0.519 0.000 2.638 526 Y HA 0.600 5.148 4.550 -0.004 0.000 0.335 526 Y C -1.066 175.058 175.900 0.374 0.000 1.155 526 Y CA -1.871 56.528 58.100 0.498 0.000 1.046 526 Y CB 0.976 39.890 38.460 0.757 0.000 1.303 526 Y HN 0.573 nan 8.280 nan 0.000 0.460 527 Q N 2.099 122.135 119.800 0.393 0.000 2.456 527 Q HA 0.801 5.138 4.340 -0.004 0.000 0.283 527 Q C -1.833 174.291 176.000 0.207 0.000 1.084 527 Q CA -1.239 54.674 55.803 0.184 0.000 0.801 527 Q CB 3.463 32.276 28.738 0.125 0.000 1.434 527 Q HN 0.869 nan 8.270 nan 0.000 0.419 528 M N 2.140 121.775 119.600 0.059 0.000 2.271 528 M HA 0.411 4.888 4.480 -0.004 0.000 0.285 528 M C -1.430 174.787 176.300 -0.139 0.000 1.059 528 M CA -0.823 54.440 55.300 -0.061 0.000 0.940 528 M CB 2.296 34.812 32.600 -0.139 0.000 1.636 528 M HN 0.609 nan 8.290 nan 0.000 0.460 529 I N 5.295 125.779 120.570 -0.143 0.000 2.291 529 I HA 0.331 4.499 4.170 -0.004 0.000 0.292 529 I C -0.432 175.528 176.117 -0.262 0.000 1.064 529 I CA -0.223 60.973 61.300 -0.173 0.000 1.269 529 I CB 0.023 37.942 38.000 -0.135 0.000 1.418 529 I HN 0.630 nan 8.210 nan 0.000 0.485 530 L N 8.380 129.395 121.223 -0.347 0.000 2.325 530 L HA 0.457 4.795 4.340 -0.004 0.000 0.279 530 L C -2.164 174.512 176.870 -0.323 0.000 1.054 530 L CA -1.759 52.780 54.840 -0.502 0.000 0.804 530 L CB 0.966 42.524 42.059 -0.835 0.000 1.200 530 L HN 0.270 nan 8.230 nan 0.000 0.436 531 P HA 0.108 nan 4.420 nan 0.000 0.270 531 P C -2.480 174.759 177.300 -0.102 0.000 1.223 531 P CA -0.874 62.143 63.100 -0.139 0.000 0.785 531 P CB -0.058 31.610 31.700 -0.054 0.000 0.923 532 P HA -0.011 nan 4.420 nan 0.000 0.269 532 P C -0.467 176.725 177.300 -0.179 0.000 1.217 532 P CA 0.387 63.318 63.100 -0.282 0.000 0.783 532 P CB -0.294 31.128 31.700 -0.464 0.000 0.898 533 H N -2.234 116.870 119.070 0.056 0.000 2.690 533 H HA -0.234 4.320 4.556 -0.004 0.000 0.309 533 H C 0.068 175.454 175.328 0.097 0.000 1.138 533 H CA -0.462 55.624 56.048 0.063 0.000 1.142 533 H CB -2.168 27.623 29.762 0.047 0.000 1.410 533 H HN 0.303 nan 8.280 nan 0.000 0.409 534 F N 2.269 122.218 119.950 -0.002 0.000 2.629 534 F HA 0.097 4.622 4.527 -0.004 0.000 0.377 534 F C 0.544 176.362 175.800 0.030 0.000 1.101 534 F CA 0.038 57.986 58.000 -0.087 0.000 1.301 534 F CB 0.560 39.391 39.000 -0.282 0.000 1.062 534 F HN 0.259 nan 8.300 nan 0.000 0.583 535 D N 5.690 125.674 120.400 -0.693 0.000 2.473 535 D HA 0.142 4.780 4.640 -0.004 0.000 0.253 535 D C 0.419 176.333 176.300 -0.643 0.000 1.233 535 D CA -0.588 53.128 54.000 -0.475 0.000 0.908 535 D CB 1.145 41.852 40.800 -0.156 0.000 1.170 535 D HN 0.672 nan 8.370 nan 0.000 0.558 536 K N 1.036 121.121 120.400 -0.524 0.000 2.442 536 K HA -0.134 4.184 4.320 -0.004 0.000 0.199 536 K C 1.208 177.825 176.600 0.027 0.000 1.044 536 K CA 1.127 57.326 56.287 -0.146 0.000 0.941 536 K CB -0.154 32.422 32.500 0.126 0.000 0.759 536 K HN 0.224 nan 8.250 nan 0.000 0.472 537 S N 0.160 115.828 115.700 -0.052 0.000 2.558 537 S HA 0.055 4.523 4.470 -0.004 0.000 0.217 537 S C 0.342 174.912 174.600 -0.050 0.000 0.975 537 S CA -0.417 57.767 58.200 -0.027 0.000 0.912 537 S CB -0.005 63.170 63.200 -0.042 0.000 0.776 537 S HN 0.229 nan 8.310 nan 0.000 0.526 538 K N 0.936 121.282 120.400 -0.089 0.000 2.139 538 K HA 0.469 4.787 4.320 -0.004 0.000 0.243 538 K C -0.677 175.862 176.600 -0.102 0.000 0.983 538 K CA -0.930 55.243 56.287 -0.190 0.000 0.890 538 K CB 0.657 32.890 32.500 -0.446 0.000 1.090 538 K HN -0.068 nan 8.250 nan 0.000 0.445 539 K N 2.179 122.470 120.400 -0.181 0.000 2.293 539 K HA 0.280 4.597 4.320 -0.004 0.000 0.267 539 K C -1.000 175.514 176.600 -0.144 0.000 1.010 539 K CA -0.331 55.926 56.287 -0.051 0.000 0.875 539 K CB 0.685 33.148 32.500 -0.062 0.000 1.106 539 K HN 0.482 nan 8.250 nan 0.000 0.450 540 Y N 3.035 123.365 120.300 0.049 0.000 2.420 540 Y HA 0.291 4.839 4.550 -0.004 0.000 0.334 540 Y C -1.736 174.109 175.900 -0.093 0.000 1.094 540 Y CA -2.183 55.916 58.100 -0.002 0.000 1.126 540 Y CB 1.215 39.731 38.460 0.093 0.000 1.217 540 Y HN 0.434 nan 8.280 nan 0.000 0.462 541 P HA 0.171 nan 4.420 nan 0.000 0.275 541 P C -1.157 176.011 177.300 -0.220 0.000 1.228 541 P CA -0.207 62.626 63.100 -0.444 0.000 0.786 541 P CB 1.677 32.704 31.700 -1.121 0.000 0.927 542 L N 3.187 124.346 121.223 -0.106 0.000 2.362 542 L HA 0.505 4.843 4.340 -0.004 0.000 0.275 542 L C -1.052 176.023 176.870 0.341 0.000 0.998 542 L CA -1.205 53.706 54.840 0.118 0.000 0.820 542 L CB 1.683 43.818 42.059 0.127 0.000 1.270 542 L HN 0.182 nan 8.230 nan 0.000 0.415 543 L N 5.676 127.097 121.223 0.331 0.000 2.298 543 L HA 0.468 4.806 4.340 -0.004 0.000 0.284 543 L C -1.182 175.914 176.870 0.377 0.000 1.013 543 L CA -0.343 54.742 54.840 0.409 0.000 0.824 543 L CB 1.517 43.771 42.059 0.325 0.000 1.221 543 L HN 0.588 nan 8.230 nan 0.000 0.418 544 L N 5.199 126.691 121.223 0.447 0.000 2.283 544 L HA 0.391 4.729 4.340 -0.004 0.000 0.287 544 L C -0.509 176.586 176.870 0.375 0.000 1.073 544 L CA 0.269 55.357 54.840 0.414 0.000 0.822 544 L CB 0.491 42.843 42.059 0.488 0.000 1.186 544 L HN 0.636 nan 8.230 nan 0.000 0.436 545 D N 4.554 125.152 120.400 0.331 0.000 2.347 545 D HA 0.267 4.905 4.640 -0.004 0.000 0.235 545 D C -0.975 175.407 176.300 0.137 0.000 1.149 545 D CA 0.043 54.169 54.000 0.210 0.000 0.850 545 D CB 1.313 42.298 40.800 0.309 0.000 1.061 545 D HN 0.352 nan 8.370 nan 0.000 0.487 546 V N 5.242 125.169 119.914 0.021 0.000 2.864 546 V HA 0.515 4.633 4.120 -0.004 0.000 0.314 546 V C -1.061 175.115 176.094 0.137 0.000 1.073 546 V CA -0.395 61.975 62.300 0.117 0.000 0.956 546 V CB 1.916 33.812 31.823 0.122 0.000 1.023 546 V HN 0.676 nan 8.190 nan 0.000 0.435 547 Y N 4.571 124.938 120.300 0.111 0.000 3.284 547 Y HA 0.571 5.119 4.550 -0.004 0.000 0.165 547 Y C 1.441 177.466 175.900 0.209 0.000 0.881 547 Y CA 1.107 59.296 58.100 0.150 0.000 1.837 547 Y CB 0.226 38.753 38.460 0.112 0.000 1.398 547 Y HN 1.185 nan 8.280 nan 0.000 0.336 548 A N 1.083 124.003 122.820 0.168 0.000 2.887 548 A HA -0.137 4.181 4.320 -0.004 0.000 0.257 548 A C 0.773 178.157 177.584 -0.334 0.000 1.372 548 A CA 0.923 52.986 52.037 0.043 0.000 0.879 548 A CB -2.444 16.643 19.000 0.146 0.000 1.082 548 A HN 1.009 nan 8.150 nan 0.000 0.703 549 G N -0.433 107.952 108.800 -0.692 0.000 2.616 549 G HA2 0.532 4.490 3.960 -0.004 0.000 0.268 549 G HA3 0.532 4.490 3.960 -0.004 0.000 0.268 549 G C -1.853 172.741 174.900 -0.509 0.000 1.213 549 G CA -0.695 43.620 45.100 -1.308 0.000 0.926 549 G HN 0.439 nan 8.290 nan 0.000 0.523 550 P HA 0.031 nan 4.420 nan 0.000 0.263 550 P C 0.548 177.701 177.300 -0.245 0.000 1.195 550 P CA 0.257 63.091 63.100 -0.443 0.000 0.762 550 P CB 0.806 31.880 31.700 -1.044 0.000 0.799 551 C N 2.288 121.509 119.300 -0.132 0.000 4.456 551 C HA -0.142 4.316 4.460 -0.004 0.000 0.288 551 C C 1.069 176.073 174.990 0.022 0.000 1.374 551 C CA 1.130 60.038 59.018 -0.182 0.000 1.956 551 C CB -2.637 24.839 27.740 -0.440 0.000 1.255 551 C HN 0.830 nan 8.230 nan 0.000 0.788 552 S N -0.070 115.709 115.700 0.132 0.000 2.669 552 S HA 0.627 5.095 4.470 -0.004 0.000 0.270 552 S C -0.612 174.149 174.600 0.268 0.000 1.225 552 S CA 0.159 58.526 58.200 0.278 0.000 0.991 552 S CB 1.685 65.118 63.200 0.389 0.000 0.987 552 S HN 0.858 nan 8.310 nan 0.000 0.552 553 Q N -0.169 119.811 119.800 0.300 0.000 2.406 553 Q HA 0.337 4.674 4.340 -0.004 0.000 0.244 553 Q C -0.835 175.288 176.000 0.206 0.000 0.884 553 Q CA -0.527 55.443 55.803 0.279 0.000 0.813 553 Q CB 0.978 29.938 28.738 0.370 0.000 1.368 553 Q HN 0.667 nan 8.270 nan 0.000 0.439 554 K N 1.097 121.618 120.400 0.201 0.000 2.358 554 K HA 0.344 4.662 4.320 -0.004 0.000 0.200 554 K C -0.448 176.254 176.600 0.171 0.000 1.030 554 K CA 0.309 56.703 56.287 0.178 0.000 1.097 554 K CB 1.470 34.101 32.500 0.219 0.000 0.862 554 K HN 0.484 nan 8.250 nan 0.000 0.534 555 A N 2.613 125.542 122.820 0.181 0.000 2.328 555 A HA 0.419 4.737 4.320 -0.004 0.000 0.318 555 A C -0.819 176.835 177.584 0.117 0.000 1.347 555 A CA -0.615 51.532 52.037 0.182 0.000 0.842 555 A CB 0.161 19.326 19.000 0.276 0.000 1.148 555 A HN 0.218 nan 8.150 nan 0.000 0.499 556 D N -0.099 120.346 120.400 0.075 0.000 2.798 556 D HA 0.486 5.124 4.640 -0.004 0.000 0.308 556 D C 0.428 176.746 176.300 0.030 0.000 1.187 556 D CA 0.268 54.302 54.000 0.057 0.000 1.033 556 D CB 0.411 41.244 40.800 0.055 0.000 1.445 556 D HN 0.149 nan 8.370 nan 0.000 0.550 557 T N -2.293 112.297 114.554 0.061 0.000 3.223 557 T HA 0.357 4.704 4.350 -0.004 0.000 0.259 557 T C 0.226 174.896 174.700 -0.050 0.000 1.015 557 T CA -0.438 61.687 62.100 0.043 0.000 0.908 557 T CB -0.748 68.185 68.868 0.109 0.000 1.054 557 T HN 0.246 nan 8.240 nan 0.000 0.567 558 V N 2.396 122.183 119.914 -0.213 0.000 2.649 558 V HA 0.392 4.510 4.120 -0.004 0.000 0.292 558 V C -0.015 176.030 176.094 -0.082 0.000 1.055 558 V CA -0.990 61.143 62.300 -0.279 0.000 1.023 558 V CB 0.487 32.018 31.823 -0.488 0.000 0.992 558 V HN 0.585 nan 8.190 nan 0.000 0.480 559 F N 6.097 125.947 119.950 -0.167 0.000 2.411 559 F HA 0.592 5.117 4.527 -0.004 0.000 0.355 559 F C 0.399 176.138 175.800 -0.102 0.000 1.117 559 F CA -0.306 57.622 58.000 -0.120 0.000 1.139 559 F CB 0.330 39.267 39.000 -0.105 0.000 1.120 559 F HN 0.418 nan 8.300 nan 0.000 0.493 560 R N 6.503 126.535 120.500 -0.780 0.000 2.686 560 R HA 0.570 4.908 4.340 -0.004 0.000 0.283 560 R C -1.586 174.260 176.300 -0.757 0.000 0.978 560 R CA -1.074 54.666 56.100 -0.600 0.000 0.897 560 R CB 2.197 32.325 30.300 -0.286 0.000 1.192 560 R HN 0.662 nan 8.270 nan 0.000 0.457 561 L N 4.132 125.078 121.223 -0.461 0.000 2.324 561 L HA 0.397 4.735 4.340 -0.004 0.000 0.274 561 L C -0.662 176.144 176.870 -0.106 0.000 1.012 561 L CA -0.652 53.974 54.840 -0.357 0.000 0.859 561 L CB 0.507 42.482 42.059 -0.140 0.000 1.224 561 L HN 0.773 nan 8.230 nan 0.000 0.429 562 N N 0.306 118.872 118.700 -0.224 0.000 3.479 562 N HA 0.164 4.901 4.740 -0.004 0.000 0.336 562 N C 0.229 175.360 175.510 -0.633 0.000 1.623 562 N CA -0.870 51.950 53.050 -0.383 0.000 0.759 562 N CB 0.175 38.570 38.487 -0.153 0.000 2.016 562 N HN 0.280 nan 8.380 nan 0.000 0.637 563 W N 0.679 121.352 121.300 -1.045 0.000 2.338 563 W HA 0.127 4.785 4.660 -0.004 0.000 0.304 563 W C 2.067 178.526 176.519 -0.101 0.000 1.212 563 W CA 2.952 59.934 57.345 -0.605 0.000 1.264 563 W CB -1.008 28.237 29.460 -0.358 0.000 1.142 563 W HN 0.699 nan 8.180 nan 0.000 0.512 564 A N -0.660 122.142 122.820 -0.031 0.000 2.019 564 A HA -0.185 4.133 4.320 -0.004 0.000 0.219 564 A C 1.927 179.412 177.584 -0.165 0.000 1.164 564 A CA 2.324 54.283 52.037 -0.130 0.000 0.644 564 A CB -1.207 17.797 19.000 0.006 0.000 0.805 564 A HN 0.301 nan 8.150 nan 0.000 0.449 565 T N -1.219 113.242 114.554 -0.154 0.000 2.674 565 T HA -0.194 4.154 4.350 -0.004 0.000 0.265 565 T C 1.807 176.512 174.700 0.009 0.000 1.039 565 T CA 1.727 63.711 62.100 -0.194 0.000 1.150 565 T CB -0.499 68.082 68.868 -0.477 0.000 0.864 565 T HN 0.686 nan 8.240 nan 0.000 0.427 566 Y N 2.198 122.567 120.300 0.114 0.000 2.128 566 Y HA -0.100 4.448 4.550 -0.003 0.000 0.284 566 Y C 1.978 177.862 175.900 -0.026 0.000 1.154 566 Y CA 1.102 59.312 58.100 0.183 0.000 1.149 566 Y CB -0.807 37.748 38.460 0.158 0.000 0.976 566 Y HN 0.123 nan 8.280 nan 0.000 0.505 567 L N 0.189 121.028 121.223 -0.641 0.000 2.079 567 L HA -0.231 4.106 4.340 -0.004 0.000 0.210 567 L C 2.809 179.437 176.870 -0.403 0.000 1.081 567 L CA 1.296 55.699 54.840 -0.729 0.000 0.752 567 L CB -1.008 40.668 42.059 -0.638 0.000 0.896 567 L HN 0.439 nan 8.230 nan 0.000 0.433 568 A N -1.130 121.527 122.820 -0.270 0.000 1.855 568 A HA -0.169 4.149 4.320 -0.004 0.000 0.213 568 A C 2.522 180.020 177.584 -0.143 0.000 1.195 568 A CA 1.653 53.579 52.037 -0.186 0.000 0.610 568 A CB -0.644 18.248 19.000 -0.180 0.000 0.837 568 A HN 0.313 nan 8.150 nan 0.000 0.444 569 S N -1.108 114.526 115.700 -0.111 0.000 2.355 569 S HA -0.119 4.349 4.470 -0.004 0.000 0.222 569 S C 1.985 176.568 174.600 -0.027 0.000 1.031 569 S CA 2.325 60.500 58.200 -0.041 0.000 0.993 569 S CB -0.393 62.843 63.200 0.060 0.000 0.859 569 S HN 0.590 nan 8.310 nan 0.000 0.453 570 T N 1.144 115.652 114.554 -0.077 0.000 2.953 570 T HA 0.175 4.523 4.350 -0.004 0.000 0.247 570 T C 1.372 176.006 174.700 -0.110 0.000 1.029 570 T CA 0.527 62.594 62.100 -0.054 0.000 1.144 570 T CB -0.165 68.720 68.868 0.028 0.000 0.870 570 T HN 0.270 nan 8.240 nan 0.000 0.446 571 E N 1.450 121.491 120.200 -0.264 0.000 2.489 571 E HA 0.135 4.483 4.350 -0.004 0.000 0.193 571 E C -0.070 176.488 176.600 -0.069 0.000 1.057 571 E CA -0.098 56.202 56.400 -0.168 0.000 0.866 571 E CB -0.562 28.982 29.700 -0.260 0.000 0.916 571 E HN 0.527 nan 8.360 nan 0.000 0.500 572 N N 0.632 119.301 118.700 -0.052 0.000 2.716 572 N HA -0.205 4.533 4.740 -0.004 0.000 0.250 572 N C -0.746 174.809 175.510 0.075 0.000 1.033 572 N CA 0.341 53.419 53.050 0.048 0.000 0.727 572 N CB -1.201 37.366 38.487 0.134 0.000 0.950 572 N HN 0.244 nan 8.380 nan 0.000 0.541 573 I N 0.603 121.155 120.570 -0.029 0.000 2.437 573 I HA 0.355 4.523 4.170 -0.004 0.000 0.298 573 I C 0.594 176.672 176.117 -0.064 0.000 0.984 573 I CA -0.882 60.411 61.300 -0.013 0.000 1.214 573 I CB 1.379 39.383 38.000 0.006 0.000 1.365 573 I HN 0.029 nan 8.210 nan 0.000 0.469 574 I N 6.102 126.645 120.570 -0.045 0.000 2.325 574 I HA 0.189 4.357 4.170 -0.004 0.000 0.291 574 I C -0.467 175.625 176.117 -0.042 0.000 1.019 574 I CA -0.502 60.729 61.300 -0.114 0.000 1.302 574 I CB 1.161 39.088 38.000 -0.122 0.000 1.401 574 I HN 0.182 nan 8.210 nan 0.000 0.485 575 V N 6.811 126.688 119.914 -0.062 0.000 2.328 575 V HA 0.589 4.707 4.120 -0.004 0.000 0.278 575 V C 0.426 176.534 176.094 0.024 0.000 1.021 575 V CA -0.393 61.922 62.300 0.025 0.000 0.838 575 V CB 1.085 32.922 31.823 0.023 0.000 0.999 575 V HN 0.836 nan 8.190 nan 0.000 0.447 576 A N 4.115 126.977 122.820 0.069 0.000 2.330 576 A HA 0.956 5.274 4.320 -0.004 0.000 0.329 576 A C -0.172 177.554 177.584 0.236 0.000 1.135 576 A CA -0.532 51.539 52.037 0.057 0.000 0.817 576 A CB 1.719 20.580 19.000 -0.232 0.000 1.269 576 A HN 0.684 nan 8.150 nan 0.000 0.469 577 S N -0.344 115.553 115.700 0.328 0.000 2.540 577 S HA 0.684 5.152 4.470 -0.004 0.000 0.275 577 S C -1.544 173.417 174.600 0.601 0.000 1.123 577 S CA -0.301 58.145 58.200 0.409 0.000 0.907 577 S CB 1.250 64.628 63.200 0.296 0.000 1.081 577 S HN 0.732 nan 8.310 nan 0.000 0.476 578 F N 1.986 122.177 119.950 0.402 0.000 2.540 578 F HA 0.512 5.037 4.527 -0.004 0.000 0.317 578 F C -1.330 174.665 175.800 0.326 0.000 1.104 578 F CA -0.755 57.494 58.000 0.414 0.000 0.913 578 F CB 1.483 40.680 39.000 0.328 0.000 1.170 578 F HN 0.395 nan 8.300 nan 0.000 0.450 579 D N 4.528 124.722 120.400 -0.343 0.000 2.473 579 D HA 0.355 4.993 4.640 -0.004 0.000 0.226 579 D C 0.314 176.361 176.300 -0.422 0.000 1.089 579 D CA 0.100 53.999 54.000 -0.169 0.000 0.883 579 D CB 1.431 42.270 40.800 0.065 0.000 1.029 579 D HN 0.760 nan 8.370 nan 0.000 0.517 580 G N 1.109 109.764 108.800 -0.241 0.000 2.736 580 G HA2 0.289 4.247 3.960 -0.004 0.000 0.229 580 G HA3 0.289 4.247 3.960 -0.004 0.000 0.229 580 G C 0.123 175.057 174.900 0.058 0.000 1.380 580 G CA -0.743 44.251 45.100 -0.178 0.000 1.040 580 G HN 0.284 nan 8.290 nan 0.000 0.568 581 R N -0.558 119.951 120.500 0.014 0.000 2.583 581 R HA 0.319 4.657 4.340 -0.004 0.000 0.274 581 R C 1.290 177.675 176.300 0.141 0.000 0.998 581 R CA 1.577 57.757 56.100 0.133 0.000 1.081 581 R CB 0.248 30.584 30.300 0.060 0.000 0.940 581 R HN 1.093 nan 8.270 nan 0.000 0.413 582 G N 1.265 110.142 108.800 0.129 0.000 2.254 582 G HA2 -0.330 3.627 3.960 -0.004 0.000 0.225 582 G HA3 -0.330 3.627 3.960 -0.004 0.000 0.225 582 G C 0.161 175.089 174.900 0.046 0.000 1.003 582 G CA 0.123 45.282 45.100 0.098 0.000 0.622 582 G HN 0.731 nan 8.290 nan 0.000 0.507 583 S N 0.408 116.148 115.700 0.066 0.000 2.589 583 S HA 0.636 5.104 4.470 -0.004 0.000 0.265 583 S C 0.869 175.457 174.600 -0.019 0.000 1.342 583 S CA 0.529 58.762 58.200 0.055 0.000 1.005 583 S CB 1.726 64.991 63.200 0.109 0.000 0.909 583 S HN 1.692 nan 8.310 nan 0.000 0.555 584 G N -1.068 107.675 108.800 -0.095 0.000 2.705 584 G HA2 0.511 4.469 3.960 -0.004 0.000 0.299 584 G HA3 0.511 4.469 3.960 -0.004 0.000 0.299 584 G C -0.996 173.745 174.900 -0.265 0.000 1.315 584 G CA -1.042 43.840 45.100 -0.364 0.000 1.045 584 G HN 0.935 nan 8.290 nan 0.000 0.517 585 Y N -2.313 117.990 120.300 0.006 0.000 4.668 585 Y HA -0.218 4.330 4.550 -0.004 0.000 0.234 585 Y C 1.372 177.279 175.900 0.012 0.000 1.056 585 Y CA 1.079 59.188 58.100 0.014 0.000 2.025 585 Y CB -2.207 36.277 38.460 0.040 0.000 1.613 585 Y HN 0.532 nan 8.280 nan 0.000 0.653 586 Q N -0.082 119.733 119.800 0.025 0.000 2.086 586 Q HA 0.516 4.854 4.340 -0.004 0.000 0.220 586 Q C 0.888 176.759 176.000 -0.215 0.000 0.792 586 Q CA 0.201 56.022 55.803 0.030 0.000 1.062 586 Q CB 1.728 30.490 28.738 0.040 0.000 1.198 586 Q HN 0.588 nan 8.270 nan 0.000 0.466 587 G N 0.770 109.310 108.800 -0.433 0.000 2.629 587 G HA2 -0.169 3.789 3.960 -0.004 0.000 0.686 587 G HA3 -0.169 3.789 3.960 -0.004 0.000 0.686 587 G C -0.554 173.978 174.900 -0.615 0.000 1.232 587 G CA -0.648 43.931 45.100 -0.868 0.000 0.803 587 G HN 0.086 nan 8.290 nan 0.000 0.638 588 D N -0.121 119.878 120.400 -0.668 0.000 2.264 588 D HA -0.048 4.590 4.640 -0.004 0.000 0.208 588 D C 2.179 178.184 176.300 -0.492 0.000 0.966 588 D CA 1.228 54.791 54.000 -0.729 0.000 0.864 588 D CB 0.108 40.445 40.800 -0.772 0.000 0.933 588 D HN 0.578 nan 8.370 nan 0.000 0.499 589 K N 0.307 120.483 120.400 -0.373 0.000 2.097 589 K HA -0.053 4.265 4.320 -0.004 0.000 0.205 589 K C 1.982 178.498 176.600 -0.141 0.000 1.050 589 K CA 0.729 56.888 56.287 -0.212 0.000 0.938 589 K CB 0.075 32.473 32.500 -0.171 0.000 0.718 589 K HN 0.107 nan 8.250 nan 0.000 0.442 590 I N 0.190 120.666 120.570 -0.157 0.000 2.400 590 I HA -0.181 3.987 4.170 -0.004 0.000 0.248 590 I C 2.529 178.628 176.117 -0.029 0.000 1.109 590 I CA 0.592 61.869 61.300 -0.038 0.000 1.425 590 I CB -0.051 37.946 38.000 -0.005 0.000 1.094 590 I HN 0.269 nan 8.210 nan 0.000 0.425 591 M N 0.221 119.736 119.600 -0.141 0.000 2.099 591 M HA -0.223 4.255 4.480 -0.004 0.000 0.262 591 M C 1.799 178.131 176.300 0.053 0.000 1.067 591 M CA 1.978 57.225 55.300 -0.088 0.000 1.124 591 M CB -0.295 32.159 32.600 -0.243 0.000 1.353 591 M HN 0.245 nan 8.290 nan 0.000 0.410 592 H N -0.652 118.292 119.070 -0.209 0.000 2.547 592 H HA 0.173 4.727 4.556 -0.004 0.000 0.274 592 H C 1.704 177.026 175.328 -0.010 0.000 1.024 592 H CA 0.023 55.943 56.048 -0.214 0.000 1.155 592 H CB 0.099 29.638 29.762 -0.372 0.000 1.344 592 H HN 0.509 nan 8.280 nan 0.000 0.598 593 A N 1.418 124.327 122.820 0.150 0.000 2.015 593 A HA -0.098 4.220 4.320 -0.004 0.000 0.219 593 A C 2.048 179.821 177.584 0.316 0.000 1.163 593 A CA 0.861 53.006 52.037 0.180 0.000 0.646 593 A CB -0.530 18.532 19.000 0.103 0.000 0.806 593 A HN 0.578 nan 8.150 nan 0.000 0.448 594 I N -3.066 117.674 120.570 0.283 0.000 3.861 594 I HA 0.143 4.311 4.170 -0.004 0.000 0.329 594 I C 0.397 176.619 176.117 0.176 0.000 1.321 594 I CA -0.424 61.015 61.300 0.231 0.000 1.126 594 I CB -0.679 37.426 38.000 0.176 0.000 1.018 594 I HN 0.216 nan 8.210 nan 0.000 0.407 595 N N 3.137 121.979 118.700 0.237 0.000 2.301 595 N HA -0.106 4.632 4.740 -0.004 0.000 0.267 595 N C 0.190 175.750 175.510 0.084 0.000 1.304 595 N CA 0.346 53.538 53.050 0.237 0.000 0.851 595 N CB 0.284 38.847 38.487 0.127 0.000 1.070 595 N HN 0.420 nan 8.380 nan 0.000 0.483 596 R N 0.565 121.097 120.500 0.053 0.000 3.994 596 R HA -0.187 4.151 4.340 -0.004 0.000 0.403 596 R C -0.308 175.908 176.300 -0.141 0.000 1.126 596 R CA 0.842 56.927 56.100 -0.025 0.000 1.143 596 R CB -0.872 29.421 30.300 -0.011 0.000 1.695 596 R HN 0.558 nan 8.270 nan 0.000 0.555 597 R N 0.766 121.167 120.500 -0.165 0.000 2.772 597 R HA 0.354 4.692 4.340 -0.004 0.000 0.358 597 R C -0.527 175.765 176.300 -0.014 0.000 1.143 597 R CA -0.206 55.654 56.100 -0.401 0.000 1.153 597 R CB 0.506 30.552 30.300 -0.422 0.000 1.329 597 R HN 0.085 nan 8.270 nan 0.000 0.615 598 L N -0.528 120.773 121.223 0.131 0.000 2.461 598 L HA 0.253 4.591 4.340 -0.004 0.000 0.272 598 L C 1.330 178.450 176.870 0.416 0.000 1.197 598 L CA 0.852 55.785 54.840 0.154 0.000 0.836 598 L CB 0.579 42.488 42.059 -0.250 0.000 1.105 598 L HN 0.684 nan 8.230 nan 0.000 0.477 599 G N 0.747 109.836 108.800 0.481 0.000 2.141 599 G HA2 -0.287 3.671 3.960 -0.004 0.000 0.242 599 G HA3 -0.287 3.671 3.960 -0.004 0.000 0.242 599 G C 0.425 175.435 174.900 0.184 0.000 0.982 599 G CA 0.543 45.885 45.100 0.403 0.000 0.662 599 G HN 0.823 nan 8.290 nan 0.000 0.527 600 T N -3.314 111.309 114.554 0.114 0.000 2.995 600 T HA 0.489 4.837 4.350 -0.004 0.000 0.170 600 T C 1.623 176.339 174.700 0.026 0.000 0.844 600 T CA 0.863 62.932 62.100 -0.052 0.000 1.137 600 T CB -0.103 68.542 68.868 -0.372 0.000 2.193 600 T HN 0.153 nan 8.240 nan 0.000 0.384 601 F N 3.557 123.550 119.950 0.071 0.000 2.154 601 F HA -0.007 4.517 4.527 -0.004 0.000 0.301 601 F C 2.763 178.601 175.800 0.063 0.000 1.087 601 F CA 1.462 59.493 58.000 0.052 0.000 1.274 601 F CB -0.722 38.305 39.000 0.045 0.000 1.009 601 F HN 0.551 nan 8.300 nan 0.000 0.485 602 E N 0.513 120.883 120.200 0.283 0.000 2.274 602 E HA -0.094 4.254 4.350 -0.004 0.000 0.194 602 E C 2.038 178.754 176.600 0.193 0.000 0.996 602 E CA 1.178 57.712 56.400 0.222 0.000 0.840 602 E CB -0.899 28.925 29.700 0.207 0.000 0.772 602 E HN 0.308 nan 8.360 nan 0.000 0.491 603 V N 1.489 121.499 119.914 0.161 0.000 2.379 603 V HA -0.158 3.960 4.120 -0.004 0.000 0.243 603 V C 2.232 178.373 176.094 0.078 0.000 1.035 603 V CA 1.865 64.216 62.300 0.085 0.000 1.035 603 V CB -0.458 31.375 31.823 0.017 0.000 0.673 603 V HN 0.183 nan 8.190 nan 0.000 0.457 604 E N 0.310 120.571 120.200 0.101 0.000 2.077 604 E HA -0.226 4.122 4.350 -0.004 0.000 0.193 604 E C 1.895 178.523 176.600 0.046 0.000 0.989 604 E CA 1.498 57.949 56.400 0.084 0.000 0.800 604 E CB -0.208 29.572 29.700 0.132 0.000 0.746 604 E HN 0.545 nan 8.360 nan 0.000 0.452 605 D N 0.421 120.859 120.400 0.064 0.000 2.218 605 D HA -0.159 4.479 4.640 -0.004 0.000 0.204 605 D C 1.912 178.160 176.300 -0.087 0.000 0.976 605 D CA 0.901 54.892 54.000 -0.014 0.000 0.853 605 D CB -0.130 40.717 40.800 0.078 0.000 0.939 605 D HN 0.030 nan 8.370 nan 0.000 0.481 606 Q N 0.176 120.013 119.800 0.061 0.000 2.119 606 Q HA 0.006 4.344 4.340 -0.004 0.000 0.201 606 Q C 2.143 178.180 176.000 0.062 0.000 0.972 606 Q CA 0.784 56.643 55.803 0.093 0.000 0.847 606 Q CB -0.151 28.674 28.738 0.145 0.000 0.903 606 Q HN 0.342 nan 8.270 nan 0.000 0.433 607 I N -0.091 120.525 120.570 0.077 0.000 2.202 607 I HA -0.216 3.952 4.170 -0.004 0.000 0.242 607 I C 2.165 178.246 176.117 -0.060 0.000 1.091 607 I CA 1.265 62.650 61.300 0.142 0.000 1.368 607 I CB -0.275 37.792 38.000 0.111 0.000 1.058 607 I HN 0.214 nan 8.210 nan 0.000 0.410 608 E N 1.654 121.761 120.200 -0.155 0.000 2.118 608 E HA -0.218 4.130 4.350 -0.004 0.000 0.195 608 E C 2.062 178.376 176.600 -0.476 0.000 0.992 608 E CA 1.717 57.959 56.400 -0.264 0.000 0.804 608 E CB -0.191 29.361 29.700 -0.247 0.000 0.741 608 E HN 0.420 nan 8.360 nan 0.000 0.458 609 A N 0.688 123.094 122.820 -0.690 0.000 1.933 609 A HA -0.060 4.257 4.320 -0.004 0.000 0.218 609 A C 2.447 179.453 177.584 -0.964 0.000 1.175 609 A CA 2.152 53.496 52.037 -1.155 0.000 0.628 609 A CB -0.995 17.210 19.000 -1.325 0.000 0.814 609 A HN 0.395 nan 8.150 nan 0.000 0.444 610 A N -0.254 122.350 122.820 -0.360 0.000 1.898 610 A HA -0.143 4.175 4.320 -0.004 0.000 0.216 610 A C 2.240 179.688 177.584 -0.227 0.000 1.181 610 A CA 1.449 53.410 52.037 -0.127 0.000 0.620 610 A CB -0.463 18.448 19.000 -0.148 0.000 0.819 610 A HN 0.551 nan 8.150 nan 0.000 0.442 611 R N -0.740 119.594 120.500 -0.277 0.000 2.080 611 R HA -0.159 4.179 4.340 -0.004 0.000 0.236 611 R C 2.462 178.613 176.300 -0.248 0.000 1.137 611 R CA 1.581 57.542 56.100 -0.232 0.000 0.943 611 R CB -0.413 29.764 30.300 -0.204 0.000 0.846 611 R HN 0.535 nan 8.270 nan 0.000 0.431 612 Q N -0.096 119.482 119.800 -0.370 0.000 2.112 612 Q HA -0.183 4.155 4.340 -0.004 0.000 0.206 612 Q C 2.098 177.932 176.000 -0.277 0.000 0.987 612 Q CA 1.596 57.178 55.803 -0.370 0.000 0.858 612 Q CB -0.299 28.114 28.738 -0.542 0.000 0.905 612 Q HN 0.283 nan 8.270 nan 0.000 0.420 613 F N 1.168 120.971 119.950 -0.246 0.000 2.102 613 F HA -0.169 4.356 4.527 -0.003 0.000 0.298 613 F C 2.784 178.423 175.800 -0.268 0.000 1.105 613 F CA 1.327 59.179 58.000 -0.247 0.000 1.239 613 F CB -1.410 37.495 39.000 -0.158 0.000 0.991 613 F HN 0.104 nan 8.300 nan 0.000 0.474 614 S N -0.095 115.591 115.700 -0.023 0.000 2.400 614 S HA -0.264 4.204 4.470 -0.004 0.000 0.232 614 S C 1.928 176.437 174.600 -0.151 0.000 1.025 614 S CA 1.314 59.457 58.200 -0.095 0.000 0.993 614 S CB -0.805 62.338 63.200 -0.095 0.000 0.808 614 S HN 0.436 nan 8.310 nan 0.000 0.478 615 K N 0.526 120.837 120.400 -0.149 0.000 2.574 615 K HA 0.181 4.498 4.320 -0.004 0.000 0.193 615 K C 1.518 178.007 176.600 -0.184 0.000 1.035 615 K CA 0.489 56.689 56.287 -0.145 0.000 0.982 615 K CB -0.249 32.173 32.500 -0.128 0.000 0.795 615 K HN 0.484 nan 8.250 nan 0.000 0.491 616 M N -1.112 118.310 119.600 -0.297 0.000 2.556 616 M HA 0.082 4.559 4.480 -0.004 0.000 0.245 616 M C 1.138 177.126 176.300 -0.520 0.000 1.128 616 M CA 0.777 55.809 55.300 -0.447 0.000 1.069 616 M CB 0.632 32.796 32.600 -0.726 0.000 1.469 616 M HN 0.407 nan 8.290 nan 0.000 0.494 617 G N 1.422 110.000 108.800 -0.369 0.000 2.212 617 G HA2 -0.303 3.655 3.960 -0.004 0.000 0.266 617 G HA3 -0.303 3.655 3.960 -0.004 0.000 0.266 617 G C 0.346 175.198 174.900 -0.081 0.000 0.978 617 G CA 0.534 45.519 45.100 -0.190 0.000 0.632 617 G HN 0.611 nan 8.290 nan 0.000 0.537 618 F N -0.233 119.785 119.950 0.112 0.000 2.708 618 F HA 0.765 5.290 4.527 -0.003 0.000 0.300 618 F C 0.019 175.944 175.800 0.208 0.000 1.118 618 F CA -1.828 56.278 58.000 0.177 0.000 1.307 618 F CB -0.018 39.163 39.000 0.302 0.000 0.986 618 F HN 0.069 nan 8.300 nan 0.000 0.522 619 V N 1.375 121.386 119.914 0.161 0.000 2.448 619 V HA 0.222 4.340 4.120 -0.004 0.000 0.295 619 V C -0.649 175.467 176.094 0.037 0.000 1.025 619 V CA -0.769 61.616 62.300 0.142 0.000 0.859 619 V CB 1.688 33.547 31.823 0.061 0.000 0.988 619 V HN 0.105 nan 8.190 nan 0.000 0.431 620 D N 4.434 124.843 120.400 0.016 0.000 2.367 620 D HA 0.016 4.654 4.640 -0.004 0.000 0.255 620 D C 1.428 177.700 176.300 -0.048 0.000 1.300 620 D CA -0.100 53.874 54.000 -0.043 0.000 0.959 620 D CB 0.475 41.220 40.800 -0.093 0.000 1.064 620 D HN 0.635 nan 8.370 nan 0.000 0.509 621 N N 3.573 122.246 118.700 -0.045 0.000 2.417 621 N HA -0.224 4.514 4.740 -0.004 0.000 0.187 621 N C 0.787 176.272 175.510 -0.043 0.000 1.027 621 N CA 0.816 53.834 53.050 -0.054 0.000 0.891 621 N CB -0.030 38.420 38.487 -0.061 0.000 0.956 621 N HN 0.463 nan 8.380 nan 0.000 0.442 622 K N 0.038 120.419 120.400 -0.031 0.000 2.400 622 K HA 0.140 4.458 4.320 -0.004 0.000 0.194 622 K C 0.340 176.959 176.600 0.032 0.000 1.033 622 K CA 0.192 56.476 56.287 -0.005 0.000 1.021 622 K CB 0.377 32.872 32.500 -0.008 0.000 0.808 622 K HN 0.085 nan 8.250 nan 0.000 0.505 623 R N 1.309 121.807 120.500 -0.004 0.000 2.748 623 R HA 0.343 4.680 4.340 -0.004 0.000 0.283 623 R C -0.994 175.361 176.300 0.091 0.000 1.507 623 R CA -0.068 56.047 56.100 0.025 0.000 1.666 623 R CB 0.569 30.677 30.300 -0.321 0.000 1.237 623 R HN -0.011 nan 8.270 nan 0.000 0.633 624 I N 1.284 122.002 120.570 0.247 0.000 2.382 624 I HA 0.512 4.680 4.170 -0.004 0.000 0.285 624 I C 0.100 176.530 176.117 0.521 0.000 1.007 624 I CA -0.724 60.750 61.300 0.290 0.000 1.142 624 I CB 1.701 39.703 38.000 0.004 0.000 1.289 624 I HN 0.335 nan 8.210 nan 0.000 0.453 625 A N 7.383 130.593 122.820 0.649 0.000 2.309 625 A HA 0.926 5.244 4.320 -0.004 0.000 0.317 625 A C -0.865 177.061 177.584 0.570 0.000 1.134 625 A CA -0.657 51.707 52.037 0.545 0.000 0.866 625 A CB 2.019 21.178 19.000 0.266 0.000 1.329 625 A HN 0.737 nan 8.150 nan 0.000 0.477 626 I N 0.009 120.806 120.570 0.379 0.000 2.827 626 I HA 0.674 4.842 4.170 -0.004 0.000 0.298 626 I C -2.058 174.290 176.117 0.386 0.000 1.235 626 I CA -0.599 60.849 61.300 0.246 0.000 1.021 626 I CB 1.788 39.596 38.000 -0.320 0.000 1.259 626 I HN 0.968 nan 8.210 nan 0.000 0.427 627 W N 6.750 128.162 121.300 0.186 0.000 3.146 627 W HA 0.810 5.467 4.660 -0.004 0.000 0.319 627 W C -1.591 175.078 176.519 0.250 0.000 1.258 627 W CA -0.819 56.660 57.345 0.223 0.000 1.189 627 W CB 0.941 30.589 29.460 0.313 0.000 1.412 627 W HN 0.863 nan 8.180 nan 0.000 0.567 628 G N 0.741 109.420 108.800 -0.202 0.000 2.547 628 G HA2 0.452 4.410 3.960 -0.004 0.000 0.291 628 G HA3 0.452 4.410 3.960 -0.004 0.000 0.291 628 G C -2.776 172.070 174.900 -0.090 0.000 1.471 628 G CA -0.748 44.093 45.100 -0.431 0.000 0.798 628 G HN 0.632 nan 8.290 nan 0.000 0.504 629 W N 0.941 122.111 121.300 -0.216 0.000 2.689 629 W HA 0.628 5.285 4.660 -0.004 0.000 0.340 629 W C 0.847 177.408 176.519 0.071 0.000 1.060 629 W CA 0.447 57.765 57.345 -0.045 0.000 1.218 629 W CB 1.904 31.341 29.460 -0.037 0.000 1.410 629 W HN 1.221 nan 8.180 nan 0.000 0.528 630 S N 2.159 118.145 115.700 0.477 0.000 4.116 630 S HA -0.425 4.043 4.470 -0.004 0.000 0.623 630 S C 1.097 175.818 174.600 0.201 0.000 1.933 630 S CA 1.751 60.220 58.200 0.449 0.000 4.224 630 S CB -1.833 61.761 63.200 0.657 0.000 0.208 630 S HN 0.722 nan 8.310 nan 0.000 0.527 631 Y N 2.524 122.833 120.300 0.015 0.000 2.256 631 Y HA 0.036 4.584 4.550 -0.004 0.000 0.288 631 Y C 2.319 178.138 175.900 -0.134 0.000 1.155 631 Y CA 2.441 60.439 58.100 -0.170 0.000 1.203 631 Y CB -1.000 37.127 38.460 -0.556 0.000 0.980 631 Y HN 0.515 nan 8.280 nan 0.000 0.530 632 G N -1.021 107.808 108.800 0.048 0.000 2.422 632 G HA2 -0.225 3.733 3.960 -0.004 0.000 0.218 632 G HA3 -0.225 3.733 3.960 -0.004 0.000 0.218 632 G C 1.922 176.864 174.900 0.069 0.000 1.146 632 G CA 0.735 45.885 45.100 0.083 0.000 0.769 632 G HN 0.557 nan 8.290 nan 0.000 0.547 633 G N -0.296 108.555 108.800 0.086 0.000 2.403 633 G HA2 -0.182 3.776 3.960 -0.004 0.000 0.216 633 G HA3 -0.182 3.776 3.960 -0.004 0.000 0.216 633 G C 1.583 176.522 174.900 0.066 0.000 1.154 633 G CA 1.046 46.185 45.100 0.065 0.000 0.784 633 G HN 0.436 nan 8.290 nan 0.000 0.538 634 Y N 1.323 121.543 120.300 -0.133 0.000 2.133 634 Y HA -0.098 4.450 4.550 -0.004 0.000 0.287 634 Y C 2.725 178.553 175.900 -0.120 0.000 1.134 634 Y CA 1.627 59.599 58.100 -0.213 0.000 1.133 634 Y CB -0.517 37.661 38.460 -0.470 0.000 0.987 634 Y HN 0.014 nan 8.280 nan 0.000 0.502 635 V N 0.002 119.824 119.914 -0.153 0.000 2.343 635 V HA -0.337 3.781 4.120 -0.004 0.000 0.247 635 V C 2.336 178.335 176.094 -0.159 0.000 1.051 635 V CA 2.480 64.674 62.300 -0.177 0.000 1.036 635 V CB -1.150 30.724 31.823 0.084 0.000 0.654 635 V HN 0.531 nan 8.190 nan 0.000 0.451 636 T N -0.121 114.392 114.554 -0.069 0.000 2.684 636 T HA -0.210 4.138 4.350 -0.004 0.000 0.267 636 T C 2.130 176.786 174.700 -0.075 0.000 1.036 636 T CA 2.036 64.102 62.100 -0.056 0.000 1.148 636 T CB -0.301 68.608 68.868 0.069 0.000 0.863 636 T HN 0.541 nan 8.240 nan 0.000 0.436 637 S N 1.287 116.982 115.700 -0.008 0.000 2.359 637 S HA -0.073 4.395 4.470 -0.004 0.000 0.224 637 S C 2.171 176.687 174.600 -0.139 0.000 1.035 637 S CA 1.077 59.294 58.200 0.028 0.000 1.018 637 S CB -0.357 62.910 63.200 0.111 0.000 0.876 637 S HN 0.314 nan 8.310 nan 0.000 0.448 638 M N 0.959 120.392 119.600 -0.279 0.000 2.108 638 M HA -0.065 4.412 4.480 -0.004 0.000 0.261 638 M C 2.235 178.383 176.300 -0.253 0.000 1.066 638 M CA 1.157 56.274 55.300 -0.305 0.000 1.107 638 M CB -1.464 30.850 32.600 -0.476 0.000 1.356 638 M HN 0.188 nan 8.290 nan 0.000 0.406 639 V N 0.451 120.214 119.914 -0.252 0.000 2.307 639 V HA -0.226 3.892 4.120 -0.004 0.000 0.245 639 V C 2.495 178.416 176.094 -0.288 0.000 1.045 639 V CA 1.304 63.464 62.300 -0.233 0.000 1.024 639 V CB -0.570 31.072 31.823 -0.302 0.000 0.651 639 V HN 0.404 nan 8.190 nan 0.000 0.449 640 L N 0.399 121.379 121.223 -0.404 0.000 2.191 640 L HA -0.055 4.283 4.340 -0.004 0.000 0.212 640 L C 2.156 178.507 176.870 -0.866 0.000 1.103 640 L CA 1.466 55.974 54.840 -0.553 0.000 0.769 640 L CB -0.657 41.030 42.059 -0.620 0.000 0.908 640 L HN 0.483 nan 8.230 nan 0.000 0.438 641 G N -1.499 106.784 108.800 -0.861 0.000 3.284 641 G HA2 -0.020 3.938 3.960 -0.004 0.000 0.236 641 G HA3 -0.020 3.938 3.960 -0.004 0.000 0.236 641 G C 1.431 176.169 174.900 -0.271 0.000 1.158 641 G CA 0.546 45.238 45.100 -0.681 0.000 0.774 641 G HN 0.413 nan 8.290 nan 0.000 0.545 642 S N -0.772 114.800 115.700 -0.213 0.000 2.470 642 S HA 0.310 4.778 4.470 -0.004 0.000 0.225 642 S C 1.906 176.464 174.600 -0.070 0.000 1.006 642 S CA 1.019 59.156 58.200 -0.105 0.000 0.934 642 S CB -0.047 63.112 63.200 -0.069 0.000 0.778 642 S HN 1.355 nan 8.310 nan 0.000 0.517 643 G N 1.429 110.178 108.800 -0.085 0.000 2.136 643 G HA2 -0.328 3.630 3.960 -0.004 0.000 0.242 643 G HA3 -0.328 3.630 3.960 -0.004 0.000 0.242 643 G C 0.927 175.816 174.900 -0.019 0.000 0.989 643 G CA 0.880 45.951 45.100 -0.048 0.000 0.682 643 G HN 1.277 nan 8.290 nan 0.000 0.522 644 S N -0.510 115.189 115.700 -0.001 0.000 2.447 644 S HA 0.280 4.748 4.470 -0.004 0.000 0.233 644 S C 2.637 177.238 174.600 0.003 0.000 1.006 644 S CA 1.739 59.947 58.200 0.014 0.000 0.957 644 S CB -0.291 62.942 63.200 0.056 0.000 0.773 644 S HN 2.432 nan 8.310 nan 0.000 0.507 645 G N 0.074 108.882 108.800 0.013 0.000 2.220 645 G HA2 -0.331 3.627 3.960 -0.004 0.000 0.269 645 G HA3 -0.331 3.627 3.960 -0.004 0.000 0.269 645 G C 0.874 175.760 174.900 -0.024 0.000 0.977 645 G CA 0.524 45.625 45.100 0.002 0.000 0.634 645 G HN 0.747 nan 8.290 nan 0.000 0.539 646 V N -0.265 119.614 119.914 -0.059 0.000 2.427 646 V HA 0.183 4.301 4.120 -0.004 0.000 0.248 646 V C 1.435 177.311 176.094 -0.363 0.000 1.051 646 V CA 1.684 63.827 62.300 -0.260 0.000 1.048 646 V CB -0.450 31.102 31.823 -0.451 0.000 0.666 646 V HN 0.313 nan 8.190 nan 0.000 0.456 647 F N -0.121 119.849 119.950 0.033 0.000 2.399 647 F HA 0.375 4.900 4.527 -0.004 0.000 0.334 647 F C 1.173 177.019 175.800 0.077 0.000 1.097 647 F CA -0.383 57.661 58.000 0.074 0.000 1.076 647 F CB 1.269 40.315 39.000 0.076 0.000 1.162 647 F HN -0.246 nan 8.300 nan 0.000 0.495 648 K N 1.244 121.815 120.400 0.285 0.000 2.166 648 K HA 0.136 4.454 4.320 -0.004 0.000 0.201 648 K C -0.152 176.572 176.600 0.206 0.000 1.052 648 K CA 0.835 57.245 56.287 0.205 0.000 0.969 648 K CB 0.288 32.904 32.500 0.195 0.000 0.761 648 K HN 0.795 nan 8.250 nan 0.000 0.459 649 c N -2.602 116.150 118.600 0.254 0.000 3.332 649 c HA 0.906 5.474 4.570 -0.004 0.000 0.329 649 c C -0.248 174.051 174.090 0.348 0.000 1.434 649 c CA -0.582 55.914 56.329 0.278 0.000 1.314 649 c CB 1.087 43.680 42.510 0.138 0.000 1.664 649 c HN 0.361 nan 8.230 nan 0.000 0.457 650 G N -0.074 109.010 108.800 0.472 0.000 2.632 650 G HA2 0.680 4.638 3.960 -0.004 0.000 0.292 650 G HA3 0.680 4.638 3.960 -0.004 0.000 0.292 650 G C -1.990 173.164 174.900 0.423 0.000 1.465 650 G CA -0.676 44.678 45.100 0.424 0.000 0.824 650 G HN 0.992 nan 8.290 nan 0.000 0.509 651 I N 0.880 121.668 120.570 0.362 0.000 2.436 651 I HA 0.615 4.783 4.170 -0.004 0.000 0.289 651 I C 0.228 176.488 176.117 0.238 0.000 1.010 651 I CA -0.953 60.453 61.300 0.177 0.000 1.098 651 I CB 2.185 40.287 38.000 0.169 0.000 1.266 651 I HN 0.644 nan 8.210 nan 0.000 0.434 652 A N 6.633 129.477 122.820 0.040 0.000 2.287 652 A HA 0.770 5.088 4.320 -0.004 0.000 0.317 652 A C -0.697 176.818 177.584 -0.116 0.000 1.220 652 A CA -0.504 51.565 52.037 0.053 0.000 0.835 652 A CB 1.062 20.155 19.000 0.155 0.000 1.180 652 A HN 0.449 nan 8.150 nan 0.000 0.500 653 V N 2.048 121.854 119.914 -0.180 0.000 2.417 653 V HA 0.580 4.698 4.120 -0.004 0.000 0.291 653 V C 0.960 176.688 176.094 -0.609 0.000 1.024 653 V CA 0.267 62.245 62.300 -0.536 0.000 0.861 653 V CB 0.820 32.033 31.823 -1.016 0.000 0.985 653 V HN 2.089 nan 8.190 nan 0.000 0.436 654 A N 5.432 127.859 122.820 -0.655 0.000 2.415 654 A HA -0.106 4.212 4.320 -0.004 0.000 0.292 654 A C -1.729 175.698 177.584 -0.262 0.000 1.452 654 A CA 0.506 52.053 52.037 -0.817 0.000 0.750 654 A CB -1.566 17.123 19.000 -0.518 0.000 1.099 654 A HN 0.627 nan 8.150 nan 0.000 0.391 655 P HA 0.466 nan 4.420 nan 0.000 0.279 655 P C 0.104 177.372 177.300 -0.052 0.000 1.252 655 P CA -0.331 62.750 63.100 -0.032 0.000 0.811 655 P CB 1.414 33.122 31.700 0.014 0.000 1.035 656 V N 1.771 121.561 119.914 -0.207 0.000 2.686 656 V HA 0.133 4.251 4.120 -0.004 0.000 0.295 656 V C 1.636 177.541 176.094 -0.314 0.000 1.057 656 V CA 0.797 62.826 62.300 -0.452 0.000 1.012 656 V CB 0.974 32.138 31.823 -1.098 0.000 1.006 656 V HN 0.851 nan 8.190 nan 0.000 0.477 657 S N 3.528 119.063 115.700 -0.275 0.000 2.619 657 S HA 0.250 4.718 4.470 -0.004 0.000 0.238 657 S C 0.421 174.857 174.600 -0.273 0.000 1.068 657 S CA -0.363 57.754 58.200 -0.139 0.000 0.926 657 S CB 0.336 63.519 63.200 -0.028 0.000 0.864 657 S HN 0.833 nan 8.310 nan 0.000 0.493 658 R N -1.066 119.140 120.500 -0.491 0.000 2.535 658 R HA 0.475 4.813 4.340 -0.004 0.000 0.274 658 R C -0.883 175.066 176.300 -0.586 0.000 1.090 658 R CA -0.854 54.904 56.100 -0.570 0.000 0.930 658 R CB -0.149 29.759 30.300 -0.653 0.000 1.223 658 R HN 0.132 nan 8.270 nan 0.000 0.441 659 W N 1.563 122.765 121.300 -0.163 0.000 2.387 659 W HA -0.056 4.602 4.660 -0.004 0.000 0.272 659 W C 1.187 177.824 176.519 0.197 0.000 1.224 659 W CA 0.938 58.280 57.345 -0.005 0.000 1.210 659 W CB 0.215 29.607 29.460 -0.113 0.000 1.125 659 W HN 0.736 nan 8.180 nan 0.000 0.572 660 E N -1.052 119.297 120.200 0.249 0.000 2.338 660 E HA -0.188 4.160 4.350 -0.004 0.000 0.197 660 E C 1.270 177.991 176.600 0.201 0.000 1.007 660 E CA 0.782 57.276 56.400 0.157 0.000 0.849 660 E CB -0.196 29.491 29.700 -0.023 0.000 0.774 660 E HN 0.372 nan 8.360 nan 0.000 0.506 661 Y N -1.532 118.851 120.300 0.137 0.000 2.523 661 Y HA 0.051 4.599 4.550 -0.004 0.000 0.279 661 Y C 0.678 176.664 175.900 0.144 0.000 1.139 661 Y CA -0.270 57.883 58.100 0.088 0.000 1.296 661 Y CB -0.441 38.018 38.460 -0.003 0.000 1.045 661 Y HN 0.014 nan 8.280 nan 0.000 0.538 662 Y N 1.977 122.417 120.300 0.233 0.000 2.334 662 Y HA 0.266 4.814 4.550 -0.004 0.000 0.325 662 Y C 0.401 176.510 175.900 0.349 0.000 1.308 662 Y CA -2.023 56.223 58.100 0.244 0.000 1.389 662 Y CB 0.338 38.958 38.460 0.268 0.000 1.328 662 Y HN 0.201 nan 8.280 nan 0.000 0.532 663 D N -0.593 119.461 120.400 -0.578 0.000 2.382 663 D HA 0.095 4.733 4.640 -0.004 0.000 0.240 663 D C 0.988 177.277 176.300 -0.020 0.000 1.146 663 D CA 0.368 54.165 54.000 -0.338 0.000 0.897 663 D CB 0.855 41.230 40.800 -0.707 0.000 1.197 663 D HN 0.481 nan 8.370 nan 0.000 0.432 664 S N 1.148 116.845 115.700 -0.005 0.000 2.353 664 S HA -0.240 4.228 4.470 -0.004 0.000 0.222 664 S C 1.919 176.565 174.600 0.076 0.000 1.035 664 S CA 1.275 59.526 58.200 0.085 0.000 1.025 664 S CB -1.073 62.181 63.200 0.090 0.000 0.902 664 S HN 0.442 nan 8.310 nan 0.000 0.440 665 V N 0.967 120.865 119.914 -0.027 0.000 2.252 665 V HA -0.196 3.922 4.120 -0.004 0.000 0.249 665 V C 2.347 178.378 176.094 -0.104 0.000 1.056 665 V CA 2.356 64.551 62.300 -0.175 0.000 1.022 665 V CB -1.176 30.384 31.823 -0.437 0.000 0.641 665 V HN 0.622 nan 8.190 nan 0.000 0.445 666 Y N 1.383 121.640 120.300 -0.071 0.000 2.153 666 Y HA -0.206 4.342 4.550 -0.004 0.000 0.289 666 Y C 2.729 178.650 175.900 0.035 0.000 1.127 666 Y CA 2.252 60.381 58.100 0.048 0.000 1.131 666 Y CB -0.730 37.952 38.460 0.370 0.000 0.995 666 Y HN 0.227 nan 8.280 nan 0.000 0.505 667 T N 0.450 115.304 114.554 0.500 0.000 2.684 667 T HA -0.209 4.139 4.350 -0.004 0.000 0.267 667 T C 1.584 176.306 174.700 0.037 0.000 1.036 667 T CA 1.974 64.281 62.100 0.344 0.000 1.148 667 T CB -0.328 68.861 68.868 0.535 0.000 0.863 667 T HN 0.445 nan 8.240 nan 0.000 0.436 668 E N 0.513 120.750 120.200 0.062 0.000 2.204 668 E HA -0.087 4.260 4.350 -0.004 0.000 0.194 668 E C 2.369 178.874 176.600 -0.158 0.000 0.989 668 E CA 0.415 56.833 56.400 0.030 0.000 0.824 668 E CB -0.115 29.642 29.700 0.095 0.000 0.756 668 E HN 0.337 nan 8.360 nan 0.000 0.477 669 R N 0.187 120.440 120.500 -0.411 0.000 2.105 669 R HA -0.184 4.154 4.340 -0.004 0.000 0.239 669 R C 1.183 177.004 176.300 -0.798 0.000 1.135 669 R CA 1.532 57.215 56.100 -0.695 0.000 0.967 669 R CB 0.016 29.604 30.300 -1.186 0.000 0.861 669 R HN 0.257 nan 8.270 nan 0.000 0.442 670 Y N -1.976 118.044 120.300 -0.466 0.000 2.507 670 Y HA 0.223 4.771 4.550 -0.004 0.000 0.263 670 Y C 1.681 177.419 175.900 -0.270 0.000 1.093 670 Y CA 0.036 57.862 58.100 -0.455 0.000 1.285 670 Y CB 0.471 38.525 38.460 -0.676 0.000 1.115 670 Y HN -0.058 nan 8.280 nan 0.000 0.533 671 M N -0.362 119.143 119.600 -0.157 0.000 2.313 671 M HA 0.369 4.847 4.480 -0.004 0.000 0.273 671 M C 1.056 177.371 176.300 0.026 0.000 1.049 671 M CA 0.672 55.868 55.300 -0.173 0.000 1.004 671 M CB -0.204 32.070 32.600 -0.543 0.000 1.461 671 M HN 0.330 nan 8.290 nan 0.000 0.514 672 G N 2.104 110.939 108.800 0.059 0.000 2.601 672 G HA2 -0.261 3.697 3.960 -0.004 0.000 0.261 672 G HA3 -0.261 3.697 3.960 -0.004 0.000 0.261 672 G C -0.446 174.604 174.900 0.249 0.000 1.289 672 G CA -0.661 44.514 45.100 0.125 0.000 0.920 672 G HN 0.372 nan 8.290 nan 0.000 0.571 673 L N 2.203 123.539 121.223 0.188 0.000 2.334 673 L HA 0.415 4.753 4.340 -0.004 0.000 0.277 673 L C -1.364 175.537 176.870 0.052 0.000 1.075 673 L CA -1.717 53.194 54.840 0.119 0.000 0.804 673 L CB 1.851 43.937 42.059 0.045 0.000 1.174 673 L HN 0.448 nan 8.230 nan 0.000 0.438 674 P HA 0.062 nan 4.420 nan 0.000 0.218 674 P C -0.576 176.590 177.300 -0.224 0.000 1.793 674 P CA -0.110 62.619 63.100 -0.619 0.000 0.941 674 P CB -0.402 30.525 31.700 -1.288 0.000 1.919 675 T N -2.776 111.735 114.554 -0.072 0.000 2.907 675 T HA 0.448 4.796 4.350 -0.004 0.000 0.292 675 T C -1.981 172.724 174.700 0.008 0.000 1.043 675 T CA -2.432 59.648 62.100 -0.032 0.000 1.003 675 T CB 2.072 70.929 68.868 -0.019 0.000 1.084 675 T HN -0.208 nan 8.240 nan 0.000 0.483 676 P HA -0.115 nan 4.420 nan 0.000 0.218 676 P C 0.703 178.020 177.300 0.028 0.000 1.148 676 P CA 1.265 64.379 63.100 0.023 0.000 0.822 676 P CB 0.156 31.865 31.700 0.015 0.000 0.784 677 E N -0.925 119.288 120.200 0.021 0.000 2.427 677 E HA -0.064 4.284 4.350 -0.004 0.000 0.196 677 E C 1.487 178.106 176.600 0.031 0.000 1.028 677 E CA 0.704 57.117 56.400 0.021 0.000 0.864 677 E CB -0.370 29.337 29.700 0.013 0.000 0.813 677 E HN 0.345 nan 8.360 nan 0.000 0.514 678 D N -0.731 119.696 120.400 0.044 0.000 3.012 678 D HA 0.070 4.708 4.640 -0.004 0.000 0.230 678 D C 0.230 176.589 176.300 0.097 0.000 1.477 678 D CA 0.133 54.171 54.000 0.064 0.000 1.329 678 D CB 0.033 40.875 40.800 0.069 0.000 0.951 678 D HN -0.026 nan 8.370 nan 0.000 0.224 679 N N 0.049 118.842 118.700 0.155 0.000 2.299 679 N HA 0.086 4.823 4.740 -0.004 0.000 0.246 679 N C 1.061 176.764 175.510 0.321 0.000 1.254 679 N CA -0.088 53.096 53.050 0.224 0.000 0.879 679 N CB 0.211 38.845 38.487 0.244 0.000 1.214 679 N HN 0.093 nan 8.380 nan 0.000 0.510 680 L N 0.522 121.867 121.223 0.204 0.000 2.043 680 L HA -0.148 4.190 4.340 -0.004 0.000 0.212 680 L C 1.197 178.181 176.870 0.190 0.000 1.075 680 L CA 2.025 56.962 54.840 0.163 0.000 0.752 680 L CB -0.485 41.601 42.059 0.045 0.000 0.891 680 L HN 0.137 nan 8.230 nan 0.000 0.432 681 D N -1.350 119.140 120.400 0.150 0.000 2.116 681 D HA -0.266 4.372 4.640 -0.004 0.000 0.193 681 D C 2.115 178.511 176.300 0.161 0.000 0.998 681 D CA 1.844 55.922 54.000 0.130 0.000 0.836 681 D CB -0.267 40.597 40.800 0.107 0.000 0.951 681 D HN 0.600 nan 8.370 nan 0.000 0.449 682 H N -0.934 118.199 119.070 0.104 0.000 2.462 682 H HA -0.071 4.483 4.556 -0.004 0.000 0.292 682 H C 1.714 177.106 175.328 0.106 0.000 1.049 682 H CA 1.188 57.277 56.048 0.068 0.000 1.334 682 H CB -0.326 29.440 29.762 0.007 0.000 1.404 682 H HN 0.164 nan 8.280 nan 0.000 0.544 683 Y N 0.217 120.491 120.300 -0.042 0.000 2.181 683 Y HA -0.143 4.405 4.550 -0.004 0.000 0.288 683 Y C 2.247 178.112 175.900 -0.059 0.000 1.146 683 Y CA 1.417 59.497 58.100 -0.033 0.000 1.164 683 Y CB 0.180 38.660 38.460 0.033 0.000 0.982 683 Y HN 0.113 nan 8.280 nan 0.000 0.515 684 R N -0.367 120.210 120.500 0.128 0.000 2.240 684 R HA -0.029 4.309 4.340 -0.004 0.000 0.203 684 R C 1.321 177.626 176.300 0.009 0.000 1.011 684 R CA 0.563 56.694 56.100 0.051 0.000 1.007 684 R CB -0.703 29.626 30.300 0.048 0.000 0.911 684 R HN 0.487 nan 8.270 nan 0.000 0.468 685 N N 0.537 119.227 118.700 -0.017 0.000 2.373 685 N HA -0.043 4.694 4.740 -0.004 0.000 0.181 685 N C 0.148 175.626 175.510 -0.053 0.000 1.082 685 N CA 0.358 53.399 53.050 -0.016 0.000 0.885 685 N CB 0.430 38.945 38.487 0.047 0.000 0.977 685 N HN 0.079 nan 8.380 nan 0.000 0.462 686 S N -0.174 115.449 115.700 -0.129 0.000 2.561 686 S HA 0.067 4.535 4.470 -0.004 0.000 0.245 686 S C 0.449 175.102 174.600 0.088 0.000 1.001 686 S CA -0.769 57.411 58.200 -0.033 0.000 1.002 686 S CB -0.057 63.057 63.200 -0.143 0.000 0.805 686 S HN 0.140 nan 8.310 nan 0.000 0.458 687 T N -1.529 113.034 114.554 0.015 0.000 2.913 687 T HA 0.516 4.863 4.350 -0.004 0.000 0.287 687 T C 1.299 175.998 174.700 -0.002 0.000 1.008 687 T CA -0.621 61.473 62.100 -0.010 0.000 1.067 687 T CB 1.357 70.186 68.868 -0.065 0.000 0.996 687 T HN -0.037 nan 8.240 nan 0.000 0.513 688 V N 2.000 121.908 119.914 -0.010 0.000 2.379 688 V HA -0.115 4.003 4.120 -0.004 0.000 0.245 688 V C 2.648 178.721 176.094 -0.034 0.000 1.044 688 V CA 1.597 63.884 62.300 -0.022 0.000 1.036 688 V CB -0.941 30.865 31.823 -0.029 0.000 0.664 688 V HN 0.828 nan 8.190 nan 0.000 0.453 689 M N 1.270 120.832 119.600 -0.063 0.000 2.106 689 M HA -0.185 4.293 4.480 -0.004 0.000 0.259 689 M C 2.310 178.584 176.300 -0.042 0.000 1.068 689 M CA 2.267 57.522 55.300 -0.076 0.000 1.100 689 M CB -1.016 31.550 32.600 -0.057 0.000 1.351 689 M HN 0.530 nan 8.290 nan 0.000 0.404 690 S N -0.662 115.026 115.700 -0.020 0.000 2.547 690 S HA -0.059 4.409 4.470 -0.004 0.000 0.235 690 S C 1.726 176.335 174.600 0.014 0.000 0.980 690 S CA 0.672 58.870 58.200 -0.004 0.000 0.941 690 S CB -0.379 62.820 63.200 -0.002 0.000 0.763 690 S HN 0.518 nan 8.310 nan 0.000 0.532 691 R N 0.137 120.659 120.500 0.037 0.000 2.397 691 R HA 0.487 4.825 4.340 -0.004 0.000 0.241 691 R C 2.209 178.618 176.300 0.182 0.000 0.914 691 R CA 0.458 56.608 56.100 0.082 0.000 1.071 691 R CB -0.229 30.114 30.300 0.072 0.000 1.116 691 R HN 0.429 nan 8.270 nan 0.000 0.524 692 A N 1.576 124.450 122.820 0.090 0.000 1.929 692 A HA -0.343 3.975 4.320 -0.004 0.000 0.221 692 A C 2.028 179.698 177.584 0.143 0.000 1.211 692 A CA 2.221 54.275 52.037 0.028 0.000 0.657 692 A CB -0.382 18.565 19.000 -0.088 0.000 0.827 692 A HN 0.318 nan 8.150 nan 0.000 0.462 693 E N 0.567 120.824 120.200 0.094 0.000 2.097 693 E HA -0.189 4.159 4.350 -0.004 0.000 0.196 693 E C 1.719 178.378 176.600 0.099 0.000 1.000 693 E CA 1.761 58.211 56.400 0.082 0.000 0.804 693 E CB -0.330 29.399 29.700 0.049 0.000 0.740 693 E HN 0.653 nan 8.360 nan 0.000 0.454 694 N N -0.466 118.286 118.700 0.087 0.000 2.453 694 N HA -0.124 4.614 4.740 -0.004 0.000 0.183 694 N C 1.082 176.584 175.510 -0.012 0.000 1.041 694 N CA 0.605 53.661 53.050 0.010 0.000 0.900 694 N CB -0.239 38.208 38.487 -0.068 0.000 0.961 694 N HN 0.257 nan 8.380 nan 0.000 0.443 695 F N 1.436 121.343 119.950 -0.072 0.000 2.641 695 F HA -0.002 4.523 4.527 -0.004 0.000 0.298 695 F C 2.034 177.836 175.800 0.004 0.000 1.146 695 F CA 0.642 58.593 58.000 -0.080 0.000 1.464 695 F CB 0.116 39.017 39.000 -0.165 0.000 1.101 695 F HN -0.076 nan 8.300 nan 0.000 0.585 696 K N -0.112 120.387 120.400 0.165 0.000 2.365 696 K HA -0.135 4.183 4.320 -0.004 0.000 0.199 696 K C 1.621 178.281 176.600 0.100 0.000 1.045 696 K CA 0.782 57.148 56.287 0.132 0.000 0.962 696 K CB -0.099 32.459 32.500 0.097 0.000 0.759 696 K HN 0.394 nan 8.250 nan 0.000 0.469 697 Q N 0.195 120.033 119.800 0.063 0.000 2.451 697 Q HA 0.005 4.343 4.340 -0.004 0.000 0.206 697 Q C 0.401 176.437 176.000 0.060 0.000 0.947 697 Q CA 0.242 56.071 55.803 0.044 0.000 0.937 697 Q CB 0.542 29.285 28.738 0.008 0.000 1.025 697 Q HN 0.142 nan 8.270 nan 0.000 0.511 698 V N -3.629 116.336 119.914 0.086 0.000 3.167 698 V HA 0.472 4.589 4.120 -0.004 0.000 0.310 698 V C -1.280 174.952 176.094 0.231 0.000 1.207 698 V CA -1.280 61.098 62.300 0.131 0.000 1.059 698 V CB 2.286 34.157 31.823 0.081 0.000 1.079 698 V HN -0.085 nan 8.190 nan 0.000 0.446 699 E N 0.957 121.324 120.200 0.277 0.000 2.156 699 E HA 0.486 4.834 4.350 -0.004 0.000 0.279 699 E C -1.968 175.011 176.600 0.630 0.000 0.965 699 E CA -0.380 56.260 56.400 0.399 0.000 0.789 699 E CB 1.865 31.720 29.700 0.259 0.000 1.098 699 E HN 0.677 nan 8.360 nan 0.000 0.397 700 Y N 3.423 124.004 120.300 0.468 0.000 2.425 700 Y HA 0.453 5.001 4.550 -0.003 0.000 0.344 700 Y C -1.705 174.293 175.900 0.163 0.000 0.969 700 Y CA -1.392 56.923 58.100 0.358 0.000 1.052 700 Y CB 1.115 39.813 38.460 0.397 0.000 1.215 700 Y HN 0.406 nan 8.280 nan 0.000 0.451 701 L N 7.616 128.554 121.223 -0.475 0.000 2.349 701 L HA 0.621 4.959 4.340 -0.004 0.000 0.278 701 L C -2.251 174.171 176.870 -0.747 0.000 0.996 701 L CA -0.858 53.557 54.840 -0.709 0.000 0.825 701 L CB 1.319 42.644 42.059 -1.223 0.000 1.243 701 L HN 0.642 nan 8.230 nan 0.000 0.412 702 L N 6.580 127.472 121.223 -0.551 0.000 2.322 702 L HA 0.722 5.060 4.340 -0.004 0.000 0.281 702 L C -1.118 175.635 176.870 -0.195 0.000 1.014 702 L CA -0.097 54.474 54.840 -0.449 0.000 0.815 702 L CB 1.322 43.172 42.059 -0.349 0.000 1.247 702 L HN 0.606 nan 8.230 nan 0.000 0.421 703 I N 4.266 124.733 120.570 -0.172 0.000 2.686 703 I HA 0.470 4.637 4.170 -0.004 0.000 0.295 703 I C -1.262 174.843 176.117 -0.020 0.000 1.114 703 I CA -0.726 60.522 61.300 -0.087 0.000 1.038 703 I CB 2.210 40.120 38.000 -0.151 0.000 1.238 703 I HN 0.684 nan 8.210 nan 0.000 0.420 704 H N 1.954 121.062 119.070 0.063 0.000 3.112 704 H HA 0.463 5.017 4.556 -0.004 0.000 0.347 704 H C -0.425 175.121 175.328 0.364 0.000 1.188 704 H CA -0.616 55.518 56.048 0.144 0.000 1.240 704 H CB 2.008 31.788 29.762 0.029 0.000 1.920 704 H HN 0.765 nan 8.280 nan 0.000 0.535 705 G N 0.909 110.065 108.800 0.593 0.000 2.390 705 G HA2 0.213 4.171 3.960 -0.004 0.000 0.270 705 G HA3 0.213 4.171 3.960 -0.004 0.000 0.270 705 G C 1.151 176.354 174.900 0.505 0.000 1.211 705 G CA 0.150 45.554 45.100 0.507 0.000 0.842 705 G HN 0.742 nan 8.290 nan 0.000 0.519 706 T N -0.715 113.999 114.554 0.266 0.000 2.995 706 T HA 0.086 4.434 4.350 -0.004 0.000 0.269 706 T C 1.693 176.409 174.700 0.027 0.000 1.091 706 T CA 1.279 63.359 62.100 -0.034 0.000 1.128 706 T CB 0.163 68.926 68.868 -0.174 0.000 0.891 706 T HN 0.688 nan 8.240 nan 0.000 0.492 707 A N 1.017 123.925 122.820 0.146 0.000 2.610 707 A HA 0.310 4.628 4.320 -0.004 0.000 0.286 707 A C 0.413 178.001 177.584 0.007 0.000 1.306 707 A CA -0.501 51.621 52.037 0.143 0.000 0.942 707 A CB -0.282 19.053 19.000 0.559 0.000 1.112 707 A HN 0.379 nan 8.150 nan 0.000 0.527 708 D N 1.597 122.008 120.400 0.017 0.000 2.342 708 D HA -0.021 4.617 4.640 -0.004 0.000 0.260 708 D C 0.434 176.684 176.300 -0.083 0.000 1.278 708 D CA 0.191 54.279 54.000 0.147 0.000 0.910 708 D CB 0.645 41.677 40.800 0.388 0.000 1.079 708 D HN 0.576 nan 8.370 nan 0.000 0.496 709 D N 2.479 122.887 120.400 0.013 0.000 2.323 709 D HA -0.148 4.490 4.640 -0.004 0.000 0.209 709 D C 0.980 177.239 176.300 -0.068 0.000 0.973 709 D CA -0.038 53.917 54.000 -0.075 0.000 0.874 709 D CB 0.389 41.143 40.800 -0.078 0.000 0.930 709 D HN 0.224 nan 8.370 nan 0.000 0.521 710 N N 0.945 119.700 118.700 0.092 0.000 2.272 710 N HA -0.059 4.679 4.740 -0.004 0.000 0.195 710 N C -0.010 175.395 175.510 -0.175 0.000 1.048 710 N CA 0.557 53.696 53.050 0.148 0.000 0.912 710 N CB 0.213 38.796 38.487 0.160 0.000 1.096 710 N HN -0.095 nan 8.380 nan 0.000 0.471 711 V N 3.863 123.665 119.914 -0.188 0.000 2.320 711 V HA 0.165 4.283 4.120 -0.004 0.000 0.265 711 V C -0.598 175.485 176.094 -0.019 0.000 1.048 711 V CA -0.630 61.597 62.300 -0.122 0.000 0.865 711 V CB -0.093 31.683 31.823 -0.078 0.000 1.043 711 V HN 0.325 nan 8.190 nan 0.000 0.474 712 H N 3.702 122.721 119.070 -0.084 0.000 2.972 712 H HA -0.044 4.510 4.556 -0.004 0.000 0.343 712 H C 0.919 176.072 175.328 -0.291 0.000 1.054 712 H CA -0.072 55.848 56.048 -0.213 0.000 1.412 712 H CB 0.451 30.013 29.762 -0.334 0.000 1.385 712 H HN 0.641 nan 8.280 nan 0.000 0.600 713 F N 2.281 122.001 119.950 -0.384 0.000 2.225 713 F HA -0.295 4.230 4.527 -0.003 0.000 0.302 713 F C 2.538 178.042 175.800 -0.493 0.000 1.068 713 F CA 1.899 59.461 58.000 -0.730 0.000 1.327 713 F CB -0.069 38.705 39.000 -0.376 0.000 1.043 713 F HN 0.668 nan 8.300 nan 0.000 0.506 714 Q N 0.245 119.897 119.800 -0.246 0.000 2.173 714 Q HA -0.311 4.027 4.340 -0.004 0.000 0.208 714 Q C 2.018 177.777 176.000 -0.402 0.000 0.989 714 Q CA 2.250 57.866 55.803 -0.312 0.000 0.872 714 Q CB -0.386 28.145 28.738 -0.346 0.000 0.909 714 Q HN 0.621 nan 8.270 nan 0.000 0.420 715 Q N -0.351 119.257 119.800 -0.320 0.000 2.124 715 Q HA -0.103 4.234 4.340 -0.004 0.000 0.202 715 Q C 2.189 178.088 176.000 -0.168 0.000 0.977 715 Q CA 1.627 57.363 55.803 -0.112 0.000 0.850 715 Q CB 0.015 28.768 28.738 0.024 0.000 0.901 715 Q HN 0.331 nan 8.270 nan 0.000 0.429 716 S N 0.519 116.000 115.700 -0.365 0.000 2.446 716 S HA 0.031 4.499 4.470 -0.004 0.000 0.225 716 S C 1.998 176.346 174.600 -0.420 0.000 1.016 716 S CA 0.617 58.605 58.200 -0.353 0.000 0.943 716 S CB 0.011 62.977 63.200 -0.390 0.000 0.786 716 S HN 0.447 nan 8.310 nan 0.000 0.508 717 A N 1.386 123.872 122.820 -0.558 0.000 1.933 717 A HA -0.117 4.201 4.320 -0.004 0.000 0.218 717 A C 2.111 179.597 177.584 -0.164 0.000 1.175 717 A CA 1.092 52.945 52.037 -0.307 0.000 0.628 717 A CB -0.354 18.538 19.000 -0.179 0.000 0.814 717 A HN 0.356 nan 8.150 nan 0.000 0.444 718 Q N -0.618 119.089 119.800 -0.154 0.000 2.187 718 Q HA 0.036 4.374 4.340 -0.004 0.000 0.199 718 Q C 2.079 178.025 176.000 -0.089 0.000 0.957 718 Q CA 0.854 56.618 55.803 -0.066 0.000 0.857 718 Q CB -0.246 28.521 28.738 0.050 0.000 0.929 718 Q HN 0.769 nan 8.270 nan 0.000 0.453 719 I N 1.169 121.658 120.570 -0.134 0.000 2.163 719 I HA -0.283 3.885 4.170 -0.004 0.000 0.240 719 I C 2.575 178.526 176.117 -0.276 0.000 1.081 719 I CA 1.471 62.648 61.300 -0.204 0.000 1.353 719 I CB -0.348 37.535 38.000 -0.196 0.000 1.054 719 I HN 0.183 nan 8.210 nan 0.000 0.407 720 S N 0.848 116.413 115.700 -0.224 0.000 2.370 720 S HA -0.294 4.174 4.470 -0.004 0.000 0.226 720 S C 2.045 176.615 174.600 -0.050 0.000 1.033 720 S CA 1.579 59.684 58.200 -0.158 0.000 1.011 720 S CB -0.468 62.789 63.200 0.096 0.000 0.852 720 S HN 0.371 nan 8.310 nan 0.000 0.457 721 K N 1.747 122.122 120.400 -0.042 0.000 2.057 721 K HA 0.014 4.331 4.320 -0.004 0.000 0.207 721 K C 2.313 178.891 176.600 -0.037 0.000 1.049 721 K CA 1.209 57.488 56.287 -0.014 0.000 0.931 721 K CB -0.758 31.731 32.500 -0.017 0.000 0.714 721 K HN 0.444 nan 8.250 nan 0.000 0.440 722 A N 1.118 123.887 122.820 -0.085 0.000 1.908 722 A HA -0.136 4.182 4.320 -0.004 0.000 0.218 722 A C 2.115 179.632 177.584 -0.112 0.000 1.181 722 A CA 1.491 53.471 52.037 -0.094 0.000 0.627 722 A CB -0.653 18.272 19.000 -0.125 0.000 0.818 722 A HN 0.339 nan 8.150 nan 0.000 0.445 723 L N -0.695 120.412 121.223 -0.193 0.000 2.056 723 L HA -0.134 4.204 4.340 -0.004 0.000 0.207 723 L C 2.490 179.370 176.870 0.017 0.000 1.078 723 L CA 0.935 55.669 54.840 -0.178 0.000 0.749 723 L CB -0.584 41.204 42.059 -0.452 0.000 0.901 723 L HN 0.236 nan 8.230 nan 0.000 0.433 724 V N -0.204 119.754 119.914 0.075 0.000 2.407 724 V HA -0.274 3.844 4.120 -0.004 0.000 0.248 724 V C 1.982 178.111 176.094 0.058 0.000 1.055 724 V CA 1.793 64.161 62.300 0.113 0.000 1.049 724 V CB -0.520 31.371 31.823 0.114 0.000 0.662 724 V HN 0.408 nan 8.190 nan 0.000 0.455 725 D N 0.283 120.698 120.400 0.026 0.000 2.218 725 D HA -0.105 4.533 4.640 -0.004 0.000 0.204 725 D C 1.692 178.004 176.300 0.020 0.000 0.976 725 D CA 1.614 55.625 54.000 0.018 0.000 0.853 725 D CB -0.067 40.736 40.800 0.003 0.000 0.939 725 D HN 0.554 nan 8.370 nan 0.000 0.481 726 V N -3.806 116.121 119.914 0.021 0.000 3.271 726 V HA 0.537 4.654 4.120 -0.004 0.000 0.327 726 V C 1.126 177.248 176.094 0.047 0.000 1.389 726 V CA 0.185 62.502 62.300 0.028 0.000 1.156 726 V CB -0.051 31.786 31.823 0.023 0.000 1.103 726 V HN 0.139 nan 8.190 nan 0.000 0.453 727 G N 0.521 109.356 108.800 0.058 0.000 2.246 727 G HA2 -0.183 3.775 3.960 -0.004 0.000 0.273 727 G HA3 -0.183 3.775 3.960 -0.004 0.000 0.273 727 G C -0.100 174.860 174.900 0.100 0.000 1.055 727 G CA 0.239 45.383 45.100 0.073 0.000 0.851 727 G HN 0.913 nan 8.290 nan 0.000 0.500 728 V N 0.323 120.314 119.914 0.129 0.000 2.394 728 V HA 0.489 4.607 4.120 -0.004 0.000 0.282 728 V C 0.347 176.622 176.094 0.302 0.000 1.031 728 V CA -0.529 61.880 62.300 0.182 0.000 0.881 728 V CB 1.786 33.700 31.823 0.151 0.000 0.982 728 V HN 0.434 nan 8.190 nan 0.000 0.451 729 D N 3.954 124.512 120.400 0.264 0.000 2.255 729 D HA 0.637 5.275 4.640 -0.004 0.000 0.249 729 D C -0.618 175.921 176.300 0.399 0.000 1.078 729 D CA 0.051 54.200 54.000 0.247 0.000 0.896 729 D CB 0.896 41.772 40.800 0.127 0.000 1.194 729 D HN 0.349 nan 8.370 nan 0.000 0.429 730 F N -0.042 119.987 119.950 0.131 0.000 2.779 730 F HA 0.497 5.022 4.527 -0.004 0.000 0.316 730 F C -1.459 174.399 175.800 0.097 0.000 1.164 730 F CA -1.135 56.967 58.000 0.170 0.000 0.924 730 F CB 0.665 39.802 39.000 0.228 0.000 1.348 730 F HN 0.072 nan 8.300 nan 0.000 0.467 731 Q N 1.243 121.100 119.800 0.096 0.000 2.235 731 Q HA 0.830 5.168 4.340 -0.004 0.000 0.256 731 Q C -0.837 175.126 176.000 -0.062 0.000 0.951 731 Q CA -0.720 55.036 55.803 -0.077 0.000 0.890 731 Q CB 2.020 30.735 28.738 -0.038 0.000 1.279 731 Q HN 1.062 nan 8.270 nan 0.000 0.444 732 A N 1.586 124.341 122.820 -0.109 0.000 2.556 732 A HA 0.852 5.170 4.320 -0.004 0.000 0.294 732 A C -1.399 176.123 177.584 -0.103 0.000 1.091 732 A CA -0.563 51.456 52.037 -0.029 0.000 0.704 732 A CB 1.969 21.017 19.000 0.080 0.000 1.300 732 A HN 0.621 nan 8.150 nan 0.000 0.406 733 M N 1.245 120.771 119.600 -0.122 0.000 2.294 733 M HA 0.614 5.092 4.480 -0.004 0.000 0.280 733 M C -2.054 174.114 176.300 -0.219 0.000 1.085 733 M CA -0.425 54.660 55.300 -0.357 0.000 0.969 733 M CB 1.248 33.523 32.600 -0.541 0.000 1.770 733 M HN 1.000 nan 8.290 nan 0.000 0.485 734 W N 4.048 125.168 121.300 -0.300 0.000 2.578 734 W HA 0.790 5.448 4.660 -0.004 0.000 0.346 734 W C -2.101 174.133 176.519 -0.475 0.000 1.075 734 W CA -0.882 56.370 57.345 -0.154 0.000 1.233 734 W CB 0.476 29.902 29.460 -0.056 0.000 1.358 734 W HN 0.600 nan 8.180 nan 0.000 0.574 735 Y N 2.212 122.646 120.300 0.224 0.000 2.376 735 Y HA 0.311 4.859 4.550 -0.004 0.000 0.326 735 Y C 0.503 176.518 175.900 0.193 0.000 0.970 735 Y CA -1.176 56.970 58.100 0.077 0.000 1.248 735 Y CB 1.369 39.847 38.460 0.030 0.000 1.117 735 Y HN 0.436 nan 8.280 nan 0.000 0.476 736 T N 4.574 119.302 114.554 0.290 0.000 2.866 736 T HA -0.039 4.309 4.350 -0.004 0.000 0.293 736 T C 0.206 174.977 174.700 0.118 0.000 1.005 736 T CA 0.695 62.902 62.100 0.178 0.000 1.162 736 T CB -0.114 68.800 68.868 0.075 0.000 0.968 736 T HN 0.690 nan 8.240 nan 0.000 0.530 737 D N 0.959 121.396 120.400 0.061 0.000 3.039 737 D HA -0.127 4.510 4.640 -0.004 0.000 0.222 737 D C 0.285 176.713 176.300 0.214 0.000 1.179 737 D CA 1.165 55.137 54.000 -0.048 0.000 0.880 737 D CB -0.364 40.196 40.800 -0.400 0.000 1.115 737 D HN 0.538 nan 8.370 nan 0.000 0.416 738 E N 0.666 121.019 120.200 0.255 0.000 2.277 738 E HA 0.364 4.712 4.350 -0.004 0.000 0.274 738 E C 0.703 177.501 176.600 0.330 0.000 1.022 738 E CA -0.387 56.185 56.400 0.287 0.000 0.853 738 E CB 1.304 31.162 29.700 0.262 0.000 1.086 738 E HN 0.315 nan 8.360 nan 0.000 0.397 739 D N -0.583 120.022 120.400 0.342 0.000 2.541 739 D HA 0.014 4.652 4.640 -0.004 0.000 0.276 739 D C 1.076 177.623 176.300 0.412 0.000 1.190 739 D CA -0.197 54.027 54.000 0.374 0.000 1.095 739 D CB -0.165 40.875 40.800 0.400 0.000 1.173 739 D HN 0.376 nan 8.370 nan 0.000 0.604 740 H N -1.496 117.762 119.070 0.315 0.000 2.457 740 H HA 0.060 4.614 4.556 -0.004 0.000 0.297 740 H C 1.888 177.489 175.328 0.455 0.000 1.092 740 H CA 2.145 58.402 56.048 0.348 0.000 1.309 740 H CB -0.409 29.538 29.762 0.309 0.000 1.382 740 H HN 0.504 nan 8.280 nan 0.000 0.535 741 G N -0.372 108.631 108.800 0.338 0.000 2.603 741 G HA2 0.005 3.963 3.960 -0.004 0.000 0.214 741 G HA3 0.005 3.963 3.960 -0.004 0.000 0.214 741 G C 0.712 175.819 174.900 0.345 0.000 1.140 741 G CA 0.293 45.518 45.100 0.208 0.000 0.800 741 G HN 0.511 nan 8.290 nan 0.000 0.533 742 I N 0.191 120.974 120.570 0.356 0.000 5.158 742 I HA -0.330 3.837 4.170 -0.004 0.000 0.126 742 I C 1.594 177.852 176.117 0.235 0.000 1.344 742 I CA 0.156 61.613 61.300 0.261 0.000 2.637 742 I CB -1.213 36.918 38.000 0.218 0.000 2.338 742 I HN 0.266 nan 8.210 nan 0.000 0.320 743 A N 1.053 123.981 122.820 0.180 0.000 2.348 743 A HA 0.240 4.558 4.320 -0.004 0.000 0.224 743 A C 1.228 178.862 177.584 0.084 0.000 1.227 743 A CA 0.587 52.691 52.037 0.113 0.000 0.885 743 A CB 0.094 19.124 19.000 0.050 0.000 0.933 743 A HN 0.665 nan 8.150 nan 0.000 0.506 744 S N -0.251 115.514 115.700 0.107 0.000 2.563 744 S HA 0.115 4.583 4.470 -0.004 0.000 0.284 744 S C 1.259 175.910 174.600 0.085 0.000 1.331 744 S CA 0.410 58.665 58.200 0.091 0.000 1.047 744 S CB 0.966 64.229 63.200 0.104 0.000 0.859 744 S HN 0.540 nan 8.310 nan 0.000 0.514 745 S N 2.541 118.277 115.700 0.060 0.000 2.368 745 S HA -0.210 4.258 4.470 -0.004 0.000 0.226 745 S C 2.103 176.757 174.600 0.091 0.000 1.044 745 S CA 2.533 60.768 58.200 0.058 0.000 1.062 745 S CB -1.640 61.580 63.200 0.032 0.000 0.931 745 S HN 1.085 nan 8.310 nan 0.000 0.440 746 T N -0.230 114.369 114.554 0.075 0.000 2.777 746 T HA 0.166 4.513 4.350 -0.004 0.000 0.266 746 T C 1.996 176.745 174.700 0.082 0.000 1.040 746 T CA 1.374 63.520 62.100 0.076 0.000 1.141 746 T CB -0.982 67.923 68.868 0.062 0.000 0.868 746 T HN 0.488 nan 8.240 nan 0.000 0.444 747 A N 1.536 124.383 122.820 0.045 0.000 1.898 747 A HA -0.088 4.230 4.320 -0.004 0.000 0.216 747 A C 2.198 179.715 177.584 -0.111 0.000 1.181 747 A CA 2.052 54.035 52.037 -0.089 0.000 0.620 747 A CB -1.302 17.607 19.000 -0.151 0.000 0.819 747 A HN 0.769 nan 8.150 nan 0.000 0.442 748 H N -0.054 118.986 119.070 -0.051 0.000 2.289 748 H HA -0.184 4.370 4.556 -0.004 0.000 0.296 748 H C 2.113 177.489 175.328 0.079 0.000 1.091 748 H CA 2.475 58.549 56.048 0.042 0.000 1.274 748 H CB -0.245 29.553 29.762 0.060 0.000 1.364 748 H HN 0.587 nan 8.280 nan 0.000 0.490 749 Q N -1.048 118.747 119.800 -0.008 0.000 2.084 749 Q HA -0.185 4.153 4.340 -0.004 0.000 0.202 749 Q C 2.265 178.231 176.000 -0.057 0.000 0.978 749 Q CA 1.303 57.059 55.803 -0.078 0.000 0.844 749 Q CB -0.200 28.538 28.738 0.000 0.000 0.898 749 Q HN 0.640 nan 8.270 nan 0.000 0.426 750 H N 0.798 119.824 119.070 -0.074 0.000 2.321 750 H HA -0.079 4.475 4.556 -0.004 0.000 0.300 750 H C 2.048 177.349 175.328 -0.044 0.000 1.087 750 H CA 1.390 57.425 56.048 -0.021 0.000 1.319 750 H CB -0.029 29.772 29.762 0.065 0.000 1.379 750 H HN 0.278 nan 8.280 nan 0.000 0.501 751 I N 0.108 120.624 120.570 -0.090 0.000 2.252 751 I HA -0.319 3.849 4.170 -0.004 0.000 0.245 751 I C 1.785 177.670 176.117 -0.387 0.000 1.102 751 I CA 1.227 62.401 61.300 -0.211 0.000 1.385 751 I CB -0.263 37.421 38.000 -0.527 0.000 1.064 751 I HN 0.135 nan 8.210 nan 0.000 0.414 752 Y N 1.019 121.091 120.300 -0.379 0.000 2.293 752 Y HA -0.188 4.360 4.550 -0.004 0.000 0.291 752 Y C 2.715 178.392 175.900 -0.372 0.000 1.137 752 Y CA 1.782 59.540 58.100 -0.571 0.000 1.202 752 Y CB -0.853 37.264 38.460 -0.572 0.000 0.990 752 Y HN 0.157 nan 8.280 nan 0.000 0.537 753 T N -1.660 112.805 114.554 -0.149 0.000 2.737 753 T HA -0.232 4.116 4.350 -0.004 0.000 0.265 753 T C 1.587 176.168 174.700 -0.199 0.000 1.038 753 T CA 1.878 63.860 62.100 -0.197 0.000 1.144 753 T CB -0.478 68.266 68.868 -0.207 0.000 0.866 753 T HN 0.408 nan 8.240 nan 0.000 0.434 754 H N 0.834 119.779 119.070 -0.210 0.000 2.353 754 H HA 0.085 4.639 4.556 -0.004 0.000 0.300 754 H C 2.149 177.459 175.328 -0.030 0.000 1.090 754 H CA 1.572 57.573 56.048 -0.078 0.000 1.327 754 H CB -0.234 29.485 29.762 -0.072 0.000 1.383 754 H HN 0.259 nan 8.280 nan 0.000 0.508 755 M N -0.943 118.606 119.600 -0.086 0.000 2.229 755 M HA -0.138 4.340 4.480 -0.004 0.000 0.264 755 M C 2.382 178.807 176.300 0.208 0.000 1.063 755 M CA 1.238 56.490 55.300 -0.081 0.000 1.114 755 M CB 0.077 32.381 32.600 -0.493 0.000 1.387 755 M HN 0.200 nan 8.290 nan 0.000 0.420 756 S N -0.543 115.293 115.700 0.225 0.000 2.356 756 S HA -0.150 4.317 4.470 -0.004 0.000 0.223 756 S C 1.696 176.394 174.600 0.163 0.000 1.032 756 S CA 1.020 59.432 58.200 0.354 0.000 1.005 756 S CB -0.531 62.830 63.200 0.268 0.000 0.867 756 S HN 0.464 nan 8.310 nan 0.000 0.449 757 H N -0.094 119.040 119.070 0.108 0.000 2.319 757 H HA -0.061 4.493 4.556 -0.004 0.000 0.299 757 H C 1.969 177.316 175.328 0.030 0.000 1.092 757 H CA 1.359 57.428 56.048 0.034 0.000 1.302 757 H CB -0.797 28.934 29.762 -0.052 0.000 1.373 757 H HN 0.443 nan 8.280 nan 0.000 0.497 758 F N 1.092 121.041 119.950 -0.001 0.000 2.171 758 F HA -0.167 4.357 4.527 -0.004 0.000 0.300 758 F C 2.250 178.016 175.800 -0.055 0.000 1.090 758 F CA 0.812 58.782 58.000 -0.051 0.000 1.293 758 F CB -0.162 38.786 39.000 -0.087 0.000 1.013 758 F HN -0.020 nan 8.300 nan 0.000 0.486 759 I N 0.297 120.900 120.570 0.054 0.000 2.286 759 I HA -0.212 3.955 4.170 -0.004 0.000 0.245 759 I C 2.192 178.148 176.117 -0.268 0.000 1.104 759 I CA 1.280 62.454 61.300 -0.210 0.000 1.397 759 I CB -1.213 36.736 38.000 -0.084 0.000 1.072 759 I HN 0.163 nan 8.210 nan 0.000 0.417 760 K N 0.277 120.656 120.400 -0.035 0.000 2.057 760 K HA -0.211 4.107 4.320 -0.004 0.000 0.207 760 K C 2.155 178.760 176.600 0.008 0.000 1.049 760 K CA 1.125 57.441 56.287 0.048 0.000 0.931 760 K CB -0.200 32.372 32.500 0.120 0.000 0.714 760 K HN 0.238 nan 8.250 nan 0.000 0.440 761 Q N 1.153 120.918 119.800 -0.058 0.000 2.020 761 Q HA -0.217 4.121 4.340 -0.004 0.000 0.202 761 Q C 2.297 178.208 176.000 -0.148 0.000 0.982 761 Q CA 1.928 57.675 55.803 -0.093 0.000 0.838 761 Q CB -0.726 27.938 28.738 -0.124 0.000 0.899 761 Q HN 0.438 nan 8.270 nan 0.000 0.423 762 c N 0.273 118.675 118.600 -0.330 0.000 2.411 762 c HA -0.089 4.478 4.570 -0.004 0.000 0.279 762 c C 2.148 176.239 174.090 0.001 0.000 1.288 762 c CA 0.442 56.592 56.329 -0.298 0.000 1.764 762 c CB -1.384 40.793 42.510 -0.554 0.000 1.974 762 c HN 0.509 nan 8.230 nan 0.000 0.498 763 F N 1.610 121.524 119.950 -0.060 0.000 2.765 763 F HA 0.259 4.784 4.527 -0.004 0.000 0.302 763 F C 1.590 177.378 175.800 -0.020 0.000 1.111 763 F CA 0.300 58.286 58.000 -0.023 0.000 1.359 763 F CB -1.150 37.845 39.000 -0.008 0.000 1.097 763 F HN 0.195 nan 8.300 nan 0.000 0.577 764 S N 1.132 116.918 115.700 0.142 0.000 3.628 764 S HA -0.203 4.265 4.470 -0.004 0.000 0.373 764 S C -0.110 174.539 174.600 0.081 0.000 0.968 764 S CA 0.137 58.385 58.200 0.079 0.000 1.215 764 S CB -2.024 61.211 63.200 0.059 0.000 0.912 764 S HN 0.229 nan 8.310 nan 0.000 0.495 765 L N 0.717 122.000 121.223 0.099 0.000 2.307 765 L HA 0.511 4.849 4.340 -0.004 0.000 0.284 765 L C -1.467 175.448 176.870 0.074 0.000 1.023 765 L CA -2.223 52.669 54.840 0.088 0.000 0.810 765 L CB 0.797 42.928 42.059 0.119 0.000 1.231 765 L HN 0.048 nan 8.230 nan 0.000 0.423 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.135 63.100 0.058 0.000 0.800 766 P CB 0.000 31.727 31.700 0.045 0.000 0.726