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 3c43_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 62.128 62.100 0.047 0.000 1.349 39 T CB 0.000 68.893 68.868 0.042 0.000 0.612 40 R N 2.878 123.418 120.500 0.067 0.000 1.532 40 R HA -0.126 4.212 4.340 -0.004 0.000 0.381 40 R C -0.211 176.142 176.300 0.089 0.000 1.305 40 R CA 0.592 56.739 56.100 0.078 0.000 1.279 40 R CB -0.345 30.005 30.300 0.082 0.000 3.596 40 R HN 0.702 nan 8.270 nan 0.000 0.477 41 K N 1.047 121.504 120.400 0.095 0.000 2.336 41 K HA 0.180 4.498 4.320 -0.004 0.000 0.262 41 K C 0.505 177.179 176.600 0.122 0.000 0.992 41 K CA 0.190 56.542 56.287 0.109 0.000 0.927 41 K CB 0.527 33.100 32.500 0.122 0.000 0.956 41 K HN 0.581 nan 8.250 nan 0.000 0.495 42 T N -1.807 112.827 114.554 0.134 0.000 2.910 42 T HA 0.149 4.496 4.350 -0.004 0.000 0.279 42 T C -0.707 174.126 174.700 0.222 0.000 0.989 42 T CA -0.799 61.393 62.100 0.154 0.000 0.968 42 T CB 0.484 69.434 68.868 0.138 0.000 1.135 42 T HN 0.551 nan 8.240 nan 0.000 0.562 43 Y N 2.509 122.883 120.300 0.123 0.000 2.556 43 Y HA 0.372 4.920 4.550 -0.004 0.000 0.352 43 Y C 0.953 177.020 175.900 0.278 0.000 1.006 43 Y CA -0.520 57.696 58.100 0.194 0.000 1.277 43 Y CB -0.373 38.162 38.460 0.124 0.000 1.136 43 Y HN 0.993 nan 8.280 nan 0.000 0.523 44 T N 2.001 116.567 114.554 0.020 0.000 2.788 44 T HA 0.093 4.441 4.350 -0.004 0.000 0.280 44 T C 1.056 175.686 174.700 -0.116 0.000 0.984 44 T CA -0.673 61.492 62.100 0.108 0.000 0.972 44 T CB 1.132 70.016 68.868 0.026 0.000 1.039 44 T HN 0.678 nan 8.240 nan 0.000 0.530 45 L N 0.988 121.962 121.223 -0.414 0.000 2.046 45 L HA 0.013 4.351 4.340 -0.004 0.000 0.208 45 L C 2.635 179.344 176.870 -0.268 0.000 1.077 45 L CA 2.109 56.528 54.840 -0.701 0.000 0.747 45 L CB -1.446 40.049 42.059 -0.941 0.000 0.896 45 L HN 0.957 nan 8.230 nan 0.000 0.432 46 T N -0.666 113.761 114.554 -0.212 0.000 2.788 46 T HA -0.157 4.190 4.350 -0.004 0.000 0.268 46 T C 1.494 176.093 174.700 -0.169 0.000 1.044 46 T CA 1.400 63.406 62.100 -0.156 0.000 1.139 46 T CB -0.389 68.410 68.868 -0.115 0.000 0.867 46 T HN 0.385 nan 8.240 nan 0.000 0.454 47 D N 0.146 120.407 120.400 -0.232 0.000 2.123 47 D HA -0.095 4.543 4.640 -0.004 0.000 0.196 47 D C 1.725 177.916 176.300 -0.180 0.000 0.992 47 D CA 1.052 54.872 54.000 -0.300 0.000 0.833 47 D CB -0.330 40.180 40.800 -0.483 0.000 0.954 47 D HN 0.439 nan 8.370 nan 0.000 0.455 48 Y N 1.401 121.526 120.300 -0.292 0.000 2.153 48 Y HA -0.061 4.487 4.550 -0.003 0.000 0.289 48 Y C 2.175 178.081 175.900 0.010 0.000 1.127 48 Y CA 1.167 59.274 58.100 0.012 0.000 1.131 48 Y CB -0.611 37.926 38.460 0.128 0.000 0.995 48 Y HN -0.115 nan 8.280 nan 0.000 0.505 49 L N 0.103 121.157 121.223 -0.282 0.000 2.191 49 L HA -0.166 4.172 4.340 -0.004 0.000 0.212 49 L C 1.820 178.578 176.870 -0.187 0.000 1.103 49 L CA 1.271 55.908 54.840 -0.337 0.000 0.769 49 L CB -0.435 41.487 42.059 -0.228 0.000 0.908 49 L HN 0.112 nan 8.230 nan 0.000 0.438 50 K N -0.340 119.974 120.400 -0.143 0.000 2.374 50 K HA 0.066 4.384 4.320 -0.004 0.000 0.196 50 K C 0.196 176.742 176.600 -0.089 0.000 1.023 50 K CA -0.076 56.149 56.287 -0.104 0.000 1.103 50 K CB -0.239 32.200 32.500 -0.102 0.000 0.848 50 K HN 0.273 nan 8.250 nan 0.000 0.528 51 N N 1.885 120.539 118.700 -0.076 0.000 2.725 51 N HA -0.225 4.513 4.740 -0.004 0.000 0.251 51 N C 0.725 176.208 175.510 -0.044 0.000 1.031 51 N CA 0.477 53.520 53.050 -0.011 0.000 0.720 51 N CB -0.376 38.105 38.487 -0.010 0.000 0.930 51 N HN 0.383 nan 8.380 nan 0.000 0.543 52 T N -2.410 112.054 114.554 -0.150 0.000 2.821 52 T HA -0.157 4.191 4.350 -0.004 0.000 0.267 52 T C 0.668 175.172 174.700 -0.325 0.000 1.046 52 T CA 1.103 63.011 62.100 -0.319 0.000 1.139 52 T CB -0.178 68.344 68.868 -0.577 0.000 0.871 52 T HN 0.324 nan 8.240 nan 0.000 0.454 53 Y N 2.320 122.709 120.300 0.148 0.000 2.676 53 Y HA 0.554 5.102 4.550 -0.003 0.000 0.338 53 Y C 0.666 176.670 175.900 0.174 0.000 1.057 53 Y CA -1.520 56.690 58.100 0.184 0.000 1.314 53 Y CB 0.061 38.690 38.460 0.283 0.000 1.164 53 Y HN 0.093 nan 8.280 nan 0.000 0.509 54 R N 2.270 122.903 120.500 0.221 0.000 2.340 54 R HA 0.332 4.670 4.340 -0.004 0.000 0.300 54 R C -0.925 175.485 176.300 0.183 0.000 1.069 54 R CA -0.748 55.453 56.100 0.169 0.000 0.984 54 R CB 0.457 30.816 30.300 0.099 0.000 1.003 54 R HN 0.494 nan 8.270 nan 0.000 0.459 55 L N 4.554 125.886 121.223 0.182 0.000 2.319 55 L HA 0.229 4.567 4.340 -0.004 0.000 0.280 55 L C -0.224 176.735 176.870 0.148 0.000 1.099 55 L CA 0.498 55.451 54.840 0.188 0.000 0.828 55 L CB 0.845 43.029 42.059 0.209 0.000 1.150 55 L HN 0.504 nan 8.230 nan 0.000 0.442 56 K N 4.684 125.170 120.400 0.144 0.000 2.098 56 K HA 0.675 4.993 4.320 -0.004 0.000 0.261 56 K C -0.909 175.764 176.600 0.121 0.000 0.987 56 K CA -0.666 55.687 56.287 0.109 0.000 0.916 56 K CB 1.533 34.091 32.500 0.097 0.000 1.039 56 K HN 0.466 nan 8.250 nan 0.000 0.455 57 L N -0.985 120.228 121.223 -0.017 0.000 2.389 57 L HA 0.544 4.882 4.340 -0.004 0.000 0.249 57 L C -1.199 175.388 176.870 -0.471 0.000 1.083 57 L CA -1.002 53.657 54.840 -0.302 0.000 0.876 57 L CB 0.596 42.627 42.059 -0.047 0.000 1.489 57 L HN 0.509 nan 8.230 nan 0.000 0.412 58 Y N 0.021 119.703 120.300 -1.030 0.000 2.609 58 Y HA 0.627 5.175 4.550 -0.004 0.000 0.350 58 Y C -0.696 175.015 175.900 -0.315 0.000 1.050 58 Y CA -0.353 57.407 58.100 -0.566 0.000 1.290 58 Y CB 1.298 39.309 38.460 -0.747 0.000 1.094 58 Y HN 0.667 nan 8.280 nan 0.000 0.583 59 S N 6.077 121.691 115.700 -0.143 0.000 2.416 59 S HA 0.492 4.960 4.470 -0.004 0.000 0.287 59 S C -0.621 173.938 174.600 -0.069 0.000 1.139 59 S CA -0.470 57.690 58.200 -0.067 0.000 1.058 59 S CB -0.254 62.917 63.200 -0.048 0.000 0.967 59 S HN 0.582 nan 8.310 nan 0.000 0.495 60 L N 2.025 123.177 121.223 -0.118 0.000 2.301 60 L HA 0.808 5.146 4.340 -0.004 0.000 0.264 60 L C -0.413 176.360 176.870 -0.162 0.000 1.016 60 L CA -0.897 53.821 54.840 -0.204 0.000 0.821 60 L CB 1.112 42.743 42.059 -0.712 0.000 1.346 60 L HN 0.345 nan 8.230 nan 0.000 0.429 61 R N 0.900 121.345 120.500 -0.091 0.000 2.468 61 R HA 0.359 4.697 4.340 -0.004 0.000 0.302 61 R C -1.733 174.607 176.300 0.067 0.000 1.041 61 R CA -0.306 55.801 56.100 0.012 0.000 0.899 61 R CB 1.077 31.424 30.300 0.079 0.000 1.167 61 R HN 0.678 nan 8.270 nan 0.000 0.483 62 W N 4.113 125.522 121.300 0.182 0.000 2.223 62 W HA 0.082 4.740 4.660 -0.003 0.000 0.334 62 W C 1.589 178.207 176.519 0.165 0.000 1.334 62 W CA -0.261 57.211 57.345 0.211 0.000 1.246 62 W CB 0.449 30.023 29.460 0.191 0.000 1.184 62 W HN 0.654 nan 8.180 nan 0.000 0.563 63 I N -0.039 120.774 120.570 0.404 0.000 4.227 63 I HA 0.330 4.497 4.170 -0.004 0.000 0.334 63 I C 0.582 176.841 176.117 0.237 0.000 1.341 63 I CA -0.068 61.381 61.300 0.247 0.000 1.123 63 I CB -0.022 38.064 38.000 0.144 0.000 1.097 63 I HN 0.275 nan 8.210 nan 0.000 0.399 64 S N -0.597 115.287 115.700 0.307 0.000 2.815 64 S HA 0.274 4.742 4.470 -0.004 0.000 0.296 64 S C -0.110 174.587 174.600 0.161 0.000 1.224 64 S CA -0.134 58.182 58.200 0.193 0.000 0.938 64 S CB 1.145 64.448 63.200 0.173 0.000 1.285 64 S HN 0.038 nan 8.310 nan 0.000 0.549 65 D N 0.304 120.684 120.400 -0.033 0.000 2.363 65 D HA 0.119 4.757 4.640 -0.004 0.000 0.220 65 D C 0.975 177.332 176.300 0.095 0.000 0.994 65 D CA 1.277 55.221 54.000 -0.094 0.000 0.890 65 D CB -0.135 40.542 40.800 -0.205 0.000 0.906 65 D HN 0.727 nan 8.370 nan 0.000 0.530 66 H N -2.988 116.281 119.070 0.331 0.000 3.334 66 H HA 0.416 4.969 4.556 -0.004 0.000 0.256 66 H C -0.463 175.040 175.328 0.293 0.000 1.162 66 H CA -0.494 55.763 56.048 0.348 0.000 1.030 66 H CB 0.230 30.174 29.762 0.303 0.000 2.151 66 H HN -0.063 nan 8.280 nan 0.000 0.742 67 E N 1.502 122.066 120.200 0.607 0.000 2.340 67 E HA 0.334 4.681 4.350 -0.004 0.000 0.273 67 E C -1.685 175.142 176.600 0.379 0.000 0.891 67 E CA -1.150 55.454 56.400 0.339 0.000 0.757 67 E CB 3.137 32.989 29.700 0.253 0.000 1.231 67 E HN 0.336 nan 8.360 nan 0.000 0.439 68 Y N -0.446 119.897 120.300 0.071 0.000 2.615 68 Y HA 0.644 5.192 4.550 -0.004 0.000 0.341 68 Y C -1.654 174.243 175.900 -0.005 0.000 1.089 68 Y CA -1.301 56.735 58.100 -0.106 0.000 1.049 68 Y CB 0.835 38.915 38.460 -0.634 0.000 1.296 68 Y HN 0.330 nan 8.280 nan 0.000 0.470 69 L N 2.732 124.114 121.223 0.264 0.000 2.322 69 L HA 0.529 4.867 4.340 -0.004 0.000 0.279 69 L C -1.294 175.810 176.870 0.389 0.000 1.036 69 L CA -0.994 53.966 54.840 0.201 0.000 0.807 69 L CB 1.609 43.685 42.059 0.028 0.000 1.226 69 L HN 0.766 nan 8.230 nan 0.000 0.433 70 Y N 1.820 122.239 120.300 0.198 0.000 2.504 70 Y HA 0.386 4.934 4.550 -0.004 0.000 0.344 70 Y C -0.759 175.169 175.900 0.046 0.000 1.023 70 Y CA -1.516 56.635 58.100 0.085 0.000 1.020 70 Y CB 1.795 40.338 38.460 0.138 0.000 1.282 70 Y HN 0.396 nan 8.280 nan 0.000 0.454 71 K N 4.324 124.312 120.400 -0.688 0.000 2.268 71 K HA 0.280 4.598 4.320 -0.004 0.000 0.276 71 K C -1.069 175.120 176.600 -0.684 0.000 1.080 71 K CA -0.153 55.832 56.287 -0.503 0.000 0.910 71 K CB 0.455 32.756 32.500 -0.333 0.000 1.163 71 K HN 0.698 nan 8.250 nan 0.000 0.465 72 Q N 4.222 123.828 119.800 -0.323 0.000 2.464 72 Q HA 0.153 4.491 4.340 -0.004 0.000 0.256 72 Q C -1.022 174.928 176.000 -0.083 0.000 1.020 72 Q CA -0.246 55.459 55.803 -0.164 0.000 0.716 72 Q CB 0.710 29.488 28.738 0.067 0.000 1.230 72 Q HN 0.588 nan 8.270 nan 0.000 0.494 73 E N 2.735 122.882 120.200 -0.090 0.000 2.267 73 E HA -0.259 4.089 4.350 -0.004 0.000 0.229 73 E C -0.117 176.445 176.600 -0.064 0.000 1.193 73 E CA 1.122 57.487 56.400 -0.059 0.000 0.695 73 E CB -2.142 27.539 29.700 -0.031 0.000 1.219 73 E HN 1.130 nan 8.360 nan 0.000 0.391 74 N N -1.723 116.930 118.700 -0.079 0.000 2.927 74 N HA -0.328 4.409 4.740 -0.004 0.000 0.220 74 N C 0.012 175.475 175.510 -0.078 0.000 0.845 74 N CA 1.781 54.789 53.050 -0.070 0.000 1.089 74 N CB -0.795 37.661 38.487 -0.051 0.000 0.994 74 N HN 0.621 nan 8.380 nan 0.000 0.616 75 N N 1.125 119.777 118.700 -0.081 0.000 2.466 75 N HA 0.586 5.324 4.740 -0.004 0.000 0.294 75 N C -0.822 174.636 175.510 -0.086 0.000 1.129 75 N CA -0.515 52.486 53.050 -0.082 0.000 0.931 75 N CB 1.207 39.653 38.487 -0.069 0.000 1.193 75 N HN 0.135 nan 8.380 nan 0.000 0.500 76 I N 0.984 121.506 120.570 -0.080 0.000 2.315 76 I HA 0.222 4.390 4.170 -0.004 0.000 0.291 76 I C -0.749 175.392 176.117 0.038 0.000 1.006 76 I CA -0.812 60.448 61.300 -0.066 0.000 1.265 76 I CB 0.431 38.331 38.000 -0.166 0.000 1.387 76 I HN 0.294 nan 8.210 nan 0.000 0.475 77 L N 7.201 128.454 121.223 0.051 0.000 2.334 77 L HA 0.579 4.917 4.340 -0.004 0.000 0.272 77 L C -0.144 176.755 176.870 0.049 0.000 1.020 77 L CA -0.739 54.123 54.840 0.036 0.000 0.812 77 L CB 1.593 43.633 42.059 -0.032 0.000 1.264 77 L HN 0.294 nan 8.230 nan 0.000 0.439 78 V N 1.722 121.616 119.914 -0.033 0.000 2.513 78 V HA 0.582 4.700 4.120 -0.004 0.000 0.299 78 V C -1.150 174.788 176.094 -0.259 0.000 1.035 78 V CA -0.315 61.954 62.300 -0.051 0.000 0.889 78 V CB 1.405 33.277 31.823 0.082 0.000 0.988 78 V HN 0.511 nan 8.190 nan 0.000 0.440 79 F N 5.063 124.755 119.950 -0.430 0.000 2.508 79 F HA 0.487 5.012 4.527 -0.004 0.000 0.325 79 F C 0.413 175.915 175.800 -0.496 0.000 1.090 79 F CA -0.517 57.124 58.000 -0.598 0.000 0.945 79 F CB 1.762 40.013 39.000 -1.249 0.000 1.156 79 F HN 0.519 nan 8.300 nan 0.000 0.463 80 N N 2.338 120.972 118.700 -0.110 0.000 2.414 80 N HA 0.236 4.974 4.740 -0.004 0.000 0.256 80 N C 0.495 175.926 175.510 -0.132 0.000 1.029 80 N CA 0.168 53.160 53.050 -0.097 0.000 0.948 80 N CB 1.760 40.227 38.487 -0.033 0.000 1.102 80 N HN 0.829 nan 8.380 nan 0.000 0.496 81 A N 4.038 126.743 122.820 -0.192 0.000 1.877 81 A HA -0.200 4.118 4.320 -0.004 0.000 0.216 81 A C 1.914 179.215 177.584 -0.472 0.000 1.186 81 A CA 1.723 53.570 52.037 -0.316 0.000 0.620 81 A CB -0.590 18.066 19.000 -0.573 0.000 0.822 81 A HN 0.839 nan 8.150 nan 0.000 0.443 82 E N -1.062 118.785 120.200 -0.588 0.000 2.070 82 E HA -0.227 4.121 4.350 -0.004 0.000 0.197 82 E C 1.430 177.659 176.600 -0.617 0.000 1.004 82 E CA 2.242 58.271 56.400 -0.618 0.000 0.805 82 E CB -0.349 28.827 29.700 -0.872 0.000 0.744 82 E HN 0.793 nan 8.360 nan 0.000 0.451 83 Y N -2.788 117.483 120.300 -0.049 0.000 2.444 83 Y HA 0.359 4.906 4.550 -0.004 0.000 0.252 83 Y C 1.556 177.447 175.900 -0.015 0.000 1.091 83 Y CA -0.111 57.973 58.100 -0.027 0.000 1.276 83 Y CB 1.283 39.727 38.460 -0.027 0.000 1.170 83 Y HN 0.212 nan 8.280 nan 0.000 0.517 84 G N 1.237 110.096 108.800 0.097 0.000 2.176 84 G HA2 -0.302 3.656 3.960 -0.004 0.000 0.253 84 G HA3 -0.302 3.656 3.960 -0.004 0.000 0.253 84 G C -0.097 174.916 174.900 0.189 0.000 0.979 84 G CA 0.146 45.332 45.100 0.143 0.000 0.641 84 G HN 0.442 nan 8.290 nan 0.000 0.530 85 N N 0.597 119.357 118.700 0.101 0.000 2.483 85 N HA 0.617 5.355 4.740 -0.004 0.000 0.269 85 N C 0.194 175.602 175.510 -0.169 0.000 1.209 85 N CA 0.647 53.692 53.050 -0.008 0.000 0.969 85 N CB 1.646 40.129 38.487 -0.007 0.000 1.173 85 N HN 0.867 nan 8.380 nan 0.000 0.475 86 S N -0.164 115.333 115.700 -0.337 0.000 2.806 86 S HA 0.804 5.272 4.470 -0.004 0.000 0.306 86 S C -0.818 173.587 174.600 -0.325 0.000 1.167 86 S CA -0.760 57.102 58.200 -0.563 0.000 0.847 86 S CB 1.462 63.853 63.200 -1.347 0.000 1.216 86 S HN 0.676 nan 8.310 nan 0.000 0.532 87 S N -0.575 114.949 115.700 -0.294 0.000 2.588 87 S HA 0.517 4.985 4.470 -0.004 0.000 0.269 87 S C -1.358 173.171 174.600 -0.119 0.000 1.157 87 S CA -0.738 57.366 58.200 -0.161 0.000 0.824 87 S CB 1.516 64.656 63.200 -0.101 0.000 1.126 87 S HN 0.757 nan 8.310 nan 0.000 0.464 88 V N 2.966 122.832 119.914 -0.081 0.000 2.439 88 V HA 0.190 4.308 4.120 -0.004 0.000 0.271 88 V C 0.537 176.628 176.094 -0.006 0.000 1.040 88 V CA 0.234 62.507 62.300 -0.045 0.000 1.002 88 V CB 0.061 31.846 31.823 -0.065 0.000 1.000 88 V HN 0.914 nan 8.190 nan 0.000 0.477 89 F N 5.671 125.562 119.950 -0.097 0.000 2.179 89 F HA 0.287 4.811 4.527 -0.004 0.000 0.292 89 F C 0.630 176.383 175.800 -0.079 0.000 1.089 89 F CA 0.973 58.929 58.000 -0.074 0.000 1.295 89 F CB 0.501 39.467 39.000 -0.056 0.000 1.041 89 F HN 0.357 nan 8.300 nan 0.000 0.487 90 L N 1.248 122.529 121.223 0.096 0.000 2.568 90 L HA 0.256 4.594 4.340 -0.004 0.000 0.262 90 L C -0.602 176.217 176.870 -0.085 0.000 0.980 90 L CA -0.452 54.364 54.840 -0.039 0.000 0.882 90 L CB 1.045 43.146 42.059 0.070 0.000 1.198 90 L HN 0.001 nan 8.230 nan 0.000 0.425 91 E N 1.484 121.604 120.200 -0.134 0.000 2.452 91 E HA -0.076 4.272 4.350 -0.004 0.000 0.261 91 E C 0.855 177.359 176.600 -0.159 0.000 0.987 91 E CA 0.412 56.733 56.400 -0.132 0.000 0.926 91 E CB 0.825 30.444 29.700 -0.135 0.000 0.934 91 E HN 0.745 nan 8.360 nan 0.000 0.452 92 N N 1.714 120.344 118.700 -0.116 0.000 2.192 92 N HA -0.269 4.469 4.740 -0.004 0.000 0.188 92 N C 1.329 176.766 175.510 -0.123 0.000 1.013 92 N CA 1.780 54.769 53.050 -0.102 0.000 0.863 92 N CB -0.207 38.237 38.487 -0.072 0.000 0.990 92 N HN 0.310 nan 8.380 nan 0.000 0.430 93 S N -2.255 113.364 115.700 -0.134 0.000 2.660 93 S HA 0.015 4.483 4.470 -0.004 0.000 0.228 93 S C 1.329 175.796 174.600 -0.221 0.000 0.966 93 S CA 0.514 58.633 58.200 -0.135 0.000 0.940 93 S CB -0.860 62.275 63.200 -0.107 0.000 0.773 93 S HN 0.352 nan 8.310 nan 0.000 0.535 94 T N 1.523 115.853 114.554 -0.373 0.000 2.777 94 T HA 0.092 4.440 4.350 -0.004 0.000 0.266 94 T C 0.209 174.405 174.700 -0.839 0.000 1.040 94 T CA 1.035 62.715 62.100 -0.699 0.000 1.141 94 T CB -0.368 67.831 68.868 -1.115 0.000 0.868 94 T HN 0.581 nan 8.240 nan 0.000 0.444 95 F N 1.410 121.259 119.950 -0.168 0.000 2.983 95 F HA 0.378 4.903 4.527 -0.003 0.000 0.307 95 F C 0.962 176.745 175.800 -0.030 0.000 1.218 95 F CA -1.260 56.662 58.000 -0.130 0.000 1.323 95 F CB -0.199 38.608 39.000 -0.321 0.000 0.989 95 F HN -0.049 nan 8.300 nan 0.000 0.509 96 D N 0.453 120.879 120.400 0.044 0.000 2.084 96 D HA -0.155 4.483 4.640 -0.004 0.000 0.196 96 D C 1.647 177.994 176.300 0.078 0.000 0.985 96 D CA 1.376 55.402 54.000 0.044 0.000 0.826 96 D CB 0.079 40.874 40.800 -0.008 0.000 0.978 96 D HN 0.173 nan 8.370 nan 0.000 0.456 97 E N -0.526 119.717 120.200 0.073 0.000 2.311 97 E HA 0.067 4.415 4.350 -0.004 0.000 0.198 97 E C 0.756 177.416 176.600 0.101 0.000 1.115 97 E CA -0.291 56.143 56.400 0.056 0.000 1.140 97 E CB -0.737 28.976 29.700 0.021 0.000 1.204 97 E HN 0.087 nan 8.360 nan 0.000 0.446 98 F N 0.046 120.000 119.950 0.006 0.000 2.234 98 F HA 0.063 4.588 4.527 -0.004 0.000 0.299 98 F C 1.831 177.569 175.800 -0.103 0.000 1.087 98 F CA 1.842 59.841 58.000 -0.001 0.000 1.340 98 F CB 0.131 39.140 39.000 0.015 0.000 1.031 98 F HN 0.236 nan 8.300 nan 0.000 0.500 99 G N -1.034 107.702 108.800 -0.106 0.000 2.175 99 G HA2 -0.226 3.731 3.960 -0.004 0.000 0.244 99 G HA3 -0.226 3.731 3.960 -0.004 0.000 0.244 99 G C 0.045 174.642 174.900 -0.506 0.000 0.982 99 G CA 0.269 45.162 45.100 -0.345 0.000 0.641 99 G HN 0.547 nan 8.290 nan 0.000 0.527 100 H N -0.501 118.580 119.070 0.018 0.000 2.996 100 H HA 0.581 5.135 4.556 -0.003 0.000 0.368 100 H C -0.688 174.743 175.328 0.172 0.000 1.185 100 H CA -0.049 56.044 56.048 0.075 0.000 1.160 100 H CB 1.600 31.281 29.762 -0.135 0.000 1.820 100 H HN 0.155 nan 8.280 nan 0.000 0.547 101 S N 2.293 118.148 115.700 0.258 0.000 2.474 101 S HA 0.288 4.756 4.470 -0.004 0.000 0.276 101 S C 0.280 174.951 174.600 0.118 0.000 1.227 101 S CA -0.636 57.651 58.200 0.145 0.000 1.050 101 S CB -0.469 62.799 63.200 0.113 0.000 0.939 101 S HN 0.356 nan 8.310 nan 0.000 0.490 102 I N 5.574 126.151 120.570 0.011 0.000 2.337 102 I HA 0.156 4.324 4.170 -0.004 0.000 0.291 102 I C 1.395 177.496 176.117 -0.026 0.000 1.046 102 I CA -0.349 60.919 61.300 -0.053 0.000 1.324 102 I CB 0.903 38.763 38.000 -0.232 0.000 1.409 102 I HN 0.699 nan 8.210 nan 0.000 0.494 103 N N 4.132 122.818 118.700 -0.023 0.000 2.216 103 N HA -0.080 4.658 4.740 -0.004 0.000 0.183 103 N C 0.016 175.461 175.510 -0.109 0.000 1.017 103 N CA 1.294 54.286 53.050 -0.096 0.000 0.861 103 N CB 0.365 38.759 38.487 -0.155 0.000 0.986 103 N HN 0.651 nan 8.380 nan 0.000 0.428 104 D N -2.768 117.595 120.400 -0.061 0.000 2.671 104 D HA 0.170 4.808 4.640 -0.004 0.000 0.273 104 D C -1.625 174.703 176.300 0.046 0.000 1.264 104 D CA -0.507 53.469 54.000 -0.041 0.000 0.788 104 D CB 0.820 41.553 40.800 -0.112 0.000 1.324 104 D HN 0.077 nan 8.370 nan 0.000 0.424 105 Y N -1.161 119.146 120.300 0.011 0.000 2.638 105 Y HA 0.791 5.339 4.550 -0.003 0.000 0.339 105 Y C -1.093 174.886 175.900 0.132 0.000 1.084 105 Y CA -0.988 57.145 58.100 0.055 0.000 1.068 105 Y CB 1.746 40.225 38.460 0.033 0.000 1.294 105 Y HN 0.156 nan 8.280 nan 0.000 0.480 106 S N 1.577 117.455 115.700 0.295 0.000 2.626 106 S HA 0.581 5.048 4.470 -0.004 0.000 0.275 106 S C -1.878 173.031 174.600 0.515 0.000 1.175 106 S CA -0.444 57.941 58.200 0.308 0.000 0.982 106 S CB 0.343 63.739 63.200 0.327 0.000 1.093 106 S HN 0.603 nan 8.310 nan 0.000 0.472 107 I N 4.429 125.201 120.570 0.337 0.000 2.365 107 I HA 0.314 4.482 4.170 -0.004 0.000 0.291 107 I C 0.929 176.904 176.117 -0.237 0.000 1.004 107 I CA 0.166 61.565 61.300 0.165 0.000 1.311 107 I CB 1.632 39.732 38.000 0.167 0.000 1.401 107 I HN 0.717 nan 8.210 nan 0.000 0.491 108 S N 6.311 121.550 115.700 -0.770 0.000 2.573 108 S HA 0.184 4.652 4.470 -0.004 0.000 0.277 108 S C -1.788 172.533 174.600 -0.465 0.000 1.346 108 S CA -0.768 56.614 58.200 -1.363 0.000 1.034 108 S CB 0.379 62.623 63.200 -1.594 0.000 0.879 108 S HN 0.455 nan 8.310 nan 0.000 0.528 109 P HA -0.177 nan 4.420 nan 0.000 0.216 109 P C 0.752 178.016 177.300 -0.060 0.000 1.154 109 P CA 1.759 64.795 63.100 -0.106 0.000 0.865 109 P CB -0.160 31.492 31.700 -0.080 0.000 0.789 110 D N -2.292 118.065 120.400 -0.071 0.000 2.336 110 D HA 0.085 4.723 4.640 -0.004 0.000 0.229 110 D C 1.422 177.729 176.300 0.013 0.000 1.061 110 D CA 0.549 54.546 54.000 -0.005 0.000 0.875 110 D CB -1.183 39.634 40.800 0.028 0.000 0.904 110 D HN 0.220 nan 8.370 nan 0.000 0.525 111 G N 0.534 109.333 108.800 -0.000 0.000 2.196 111 G HA2 -0.450 3.508 3.960 -0.004 0.000 0.268 111 G HA3 -0.450 3.508 3.960 -0.004 0.000 0.268 111 G C 1.039 175.938 174.900 -0.001 0.000 0.975 111 G CA 0.694 45.832 45.100 0.064 0.000 0.648 111 G HN 0.478 nan 8.290 nan 0.000 0.538 112 Q N -1.513 118.244 119.800 -0.072 0.000 2.378 112 Q HA 0.326 4.664 4.340 -0.004 0.000 0.205 112 Q C 0.252 175.866 176.000 -0.644 0.000 0.954 112 Q CA 0.680 56.297 55.803 -0.311 0.000 0.901 112 Q CB 0.190 28.773 28.738 -0.259 0.000 0.981 112 Q HN 0.600 nan 8.270 nan 0.000 0.483 113 F N -1.021 118.878 119.950 -0.085 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 -1.179 56.830 58.000 0.015 0.000 0.953 113 F CB 1.698 40.720 39.000 0.037 0.000 1.345 113 F HN -0.237 nan 8.300 nan 0.000 0.468 114 I N 2.677 123.580 120.570 0.555 0.000 2.499 114 I HA 0.502 4.669 4.170 -0.004 0.000 0.288 114 I C -1.862 174.607 176.117 0.587 0.000 1.048 114 I CA -0.996 60.632 61.300 0.546 0.000 1.062 114 I CB 1.500 39.787 38.000 0.479 0.000 1.238 114 I HN 0.539 nan 8.210 nan 0.000 0.426 115 L N 8.234 129.842 121.223 0.641 0.000 2.290 115 L HA 0.486 4.824 4.340 -0.004 0.000 0.284 115 L C -1.195 175.847 176.870 0.287 0.000 1.078 115 L CA 0.084 55.176 54.840 0.421 0.000 0.815 115 L CB 0.924 43.160 42.059 0.294 0.000 1.162 115 L HN 0.514 nan 8.230 nan 0.000 0.435 116 L N 5.105 126.439 121.223 0.185 0.000 2.322 116 L HA 0.544 4.882 4.340 -0.004 0.000 0.281 116 L C -0.261 176.667 176.870 0.095 0.000 1.014 116 L CA -0.485 54.371 54.840 0.027 0.000 0.815 116 L CB 1.707 43.596 42.059 -0.282 0.000 1.247 116 L HN 0.605 nan 8.230 nan 0.000 0.421 117 E N 3.393 123.595 120.200 0.003 0.000 2.187 117 E HA 0.518 4.866 4.350 -0.004 0.000 0.268 117 E C -1.716 174.853 176.600 -0.051 0.000 0.896 117 E CA -0.505 55.754 56.400 -0.235 0.000 0.766 117 E CB 1.543 31.127 29.700 -0.194 0.000 1.142 117 E HN 0.450 nan 8.360 nan 0.000 0.408 118 Y N 1.212 121.328 120.300 -0.306 0.000 2.829 118 Y HA 0.456 5.004 4.550 -0.003 0.000 0.322 118 Y C -0.092 175.713 175.900 -0.158 0.000 1.357 118 Y CA -1.626 56.379 58.100 -0.159 0.000 1.081 118 Y CB 0.371 38.794 38.460 -0.062 0.000 1.339 118 Y HN 0.536 nan 8.280 nan 0.000 0.469 119 N N -0.295 118.407 118.700 0.002 0.000 2.740 119 N HA -0.293 4.445 4.740 -0.004 0.000 0.248 119 N C -1.008 174.470 175.510 -0.053 0.000 1.062 119 N CA 0.970 53.977 53.050 -0.072 0.000 0.704 119 N CB -1.333 37.007 38.487 -0.244 0.000 0.968 119 N HN 0.839 nan 8.380 nan 0.000 0.547 120 Y N 0.314 120.542 120.300 -0.121 0.000 2.650 120 Y HA 0.253 4.801 4.550 -0.004 0.000 0.331 120 Y C 0.019 175.880 175.900 -0.064 0.000 1.165 120 Y CA 0.059 58.084 58.100 -0.124 0.000 1.473 120 Y CB 0.657 39.002 38.460 -0.191 0.000 1.224 120 Y HN -0.005 nan 8.280 nan 0.000 0.533 121 V N 8.326 127.893 119.914 -0.577 0.000 2.357 121 V HA 0.181 4.298 4.120 -0.004 0.000 0.281 121 V C -0.149 175.545 176.094 -0.667 0.000 1.015 121 V CA -1.365 60.635 62.300 -0.501 0.000 0.827 121 V CB 1.015 32.699 31.823 -0.233 0.000 1.018 121 V HN 0.751 nan 8.190 nan 0.000 0.432 122 K N 3.608 123.521 120.400 -0.812 0.000 2.436 122 K HA 0.137 4.455 4.320 -0.004 0.000 0.275 122 K C 0.468 176.889 176.600 -0.299 0.000 0.999 122 K CA 0.378 56.383 56.287 -0.470 0.000 0.980 122 K CB 1.133 33.545 32.500 -0.147 0.000 0.919 122 K HN 0.808 nan 8.250 nan 0.000 0.484 123 Q N 3.045 122.671 119.800 -0.291 0.000 2.362 123 Q HA 0.180 4.517 4.340 -0.004 0.000 0.190 123 Q C -0.055 175.724 176.000 -0.368 0.000 0.763 123 Q CA -0.417 55.029 55.803 -0.596 0.000 0.681 123 Q CB 0.126 28.334 28.738 -0.882 0.000 2.020 123 Q HN 0.736 nan 8.270 nan 0.000 0.483 124 W N 0.178 121.474 121.300 -0.006 0.000 1.941 124 W HA 0.355 5.013 4.660 -0.003 0.000 0.629 124 W C 1.801 178.310 176.519 -0.016 0.000 1.517 124 W CA -0.470 56.898 57.345 0.038 0.000 1.502 124 W CB -0.162 29.286 29.460 -0.021 0.000 3.266 124 W HN 0.326 nan 8.180 nan 0.000 0.765 125 R N -0.607 119.999 120.500 0.178 0.000 2.096 125 R HA -0.139 4.199 4.340 -0.004 0.000 0.235 125 R C 1.617 177.736 176.300 -0.302 0.000 1.127 125 R CA 1.976 58.002 56.100 -0.123 0.000 0.968 125 R CB -0.448 29.675 30.300 -0.295 0.000 0.861 125 R HN 0.470 nan 8.270 nan 0.000 0.440 126 H N -1.109 118.045 119.070 0.140 0.000 3.091 126 H HA 0.214 4.768 4.556 -0.004 0.000 0.249 126 H C 0.360 175.788 175.328 0.168 0.000 0.985 126 H CA 0.516 56.669 56.048 0.174 0.000 1.177 126 H CB 0.298 30.137 29.762 0.128 0.000 1.456 126 H HN 0.224 nan 8.280 nan 0.000 0.467 127 S N 1.271 116.963 115.700 -0.013 0.000 2.592 127 S HA 0.389 4.857 4.470 -0.004 0.000 0.271 127 S C -0.280 174.201 174.600 -0.199 0.000 1.326 127 S CA -0.426 57.446 58.200 -0.547 0.000 1.024 127 S CB 0.838 63.206 63.200 -1.385 0.000 0.921 127 S HN 0.444 nan 8.310 nan 0.000 0.527 128 Y N -2.253 117.910 120.300 -0.228 0.000 2.774 128 Y HA 0.656 5.204 4.550 -0.004 0.000 0.346 128 Y C -0.882 174.999 175.900 -0.032 0.000 1.222 128 Y CA -0.860 57.119 58.100 -0.201 0.000 1.088 128 Y CB 0.470 38.828 38.460 -0.171 0.000 1.354 128 Y HN 0.905 nan 8.280 nan 0.000 0.455 129 T N -0.133 114.500 114.554 0.131 0.000 2.924 129 T HA 1.029 5.377 4.350 -0.004 0.000 0.291 129 T C -0.526 174.284 174.700 0.184 0.000 1.045 129 T CA -0.160 62.020 62.100 0.133 0.000 1.015 129 T CB 1.809 70.695 68.868 0.029 0.000 1.103 129 T HN 1.979 nan 8.240 nan 0.000 0.496 130 A N 0.846 123.741 122.820 0.126 0.000 2.511 130 A HA 0.780 5.098 4.320 -0.004 0.000 0.293 130 A C -0.708 176.686 177.584 -0.317 0.000 1.098 130 A CA -0.984 50.980 52.037 -0.122 0.000 0.643 130 A CB 0.879 19.791 19.000 -0.148 0.000 1.302 130 A HN 0.895 nan 8.150 nan 0.000 0.446 131 S N -0.909 114.336 115.700 -0.758 0.000 2.638 131 S HA 0.872 5.340 4.470 -0.004 0.000 0.298 131 S C -1.540 172.400 174.600 -1.100 0.000 1.111 131 S CA -0.139 57.555 58.200 -0.844 0.000 1.027 131 S CB 0.830 63.292 63.200 -1.231 0.000 1.064 131 S HN 0.496 nan 8.310 nan 0.000 0.525 132 Y N -0.165 119.917 120.300 -0.362 0.000 2.544 132 Y HA 0.516 5.064 4.550 -0.003 0.000 0.342 132 Y C -0.562 175.390 175.900 0.087 0.000 1.062 132 Y CA -0.974 57.070 58.100 -0.093 0.000 1.023 132 Y CB 1.766 40.115 38.460 -0.185 0.000 1.308 132 Y HN 0.487 nan 8.280 nan 0.000 0.457 133 D N 1.754 122.369 120.400 0.359 0.000 2.645 133 D HA 0.551 5.189 4.640 -0.004 0.000 0.228 133 D C -1.044 175.399 176.300 0.239 0.000 1.148 133 D CA -0.365 53.812 54.000 0.296 0.000 0.860 133 D CB 2.846 43.902 40.800 0.427 0.000 1.548 133 D HN 0.403 nan 8.370 nan 0.000 0.460 134 I N 1.751 122.452 120.570 0.217 0.000 2.378 134 I HA 0.233 4.401 4.170 -0.004 0.000 0.291 134 I C -0.890 175.454 176.117 0.379 0.000 0.992 134 I CA -0.933 60.534 61.300 0.279 0.000 1.154 134 I CB 1.351 39.455 38.000 0.174 0.000 1.315 134 I HN 0.227 nan 8.210 nan 0.000 0.448 135 Y N 5.833 126.319 120.300 0.310 0.000 2.331 135 Y HA 0.258 4.806 4.550 -0.004 0.000 0.338 135 Y C -0.033 176.076 175.900 0.349 0.000 0.992 135 Y CA -0.707 57.580 58.100 0.311 0.000 1.121 135 Y CB 1.034 39.689 38.460 0.326 0.000 1.184 135 Y HN 0.481 nan 8.280 nan 0.000 0.469 136 D N 6.669 126.960 120.400 -0.182 0.000 2.352 136 D HA 0.063 4.701 4.640 -0.004 0.000 0.245 136 D C 0.749 176.709 176.300 -0.567 0.000 1.224 136 D CA 0.271 54.103 54.000 -0.278 0.000 0.879 136 D CB 0.825 41.520 40.800 -0.175 0.000 1.057 136 D HN 0.885 nan 8.370 nan 0.000 0.491 137 L N 3.556 124.554 121.223 -0.375 0.000 2.362 137 L HA -0.133 4.205 4.340 -0.004 0.000 0.219 137 L C 1.827 178.535 176.870 -0.271 0.000 1.134 137 L CA 0.378 55.089 54.840 -0.215 0.000 0.807 137 L CB -0.222 41.772 42.059 -0.109 0.000 0.927 137 L HN 0.315 nan 8.230 nan 0.000 0.447 138 N N 0.593 119.083 118.700 -0.350 0.000 2.197 138 N HA -0.073 4.665 4.740 -0.004 0.000 0.184 138 N C 1.482 176.865 175.510 -0.212 0.000 1.030 138 N CA 1.115 54.009 53.050 -0.260 0.000 0.851 138 N CB 0.023 38.350 38.487 -0.267 0.000 1.003 138 N HN 0.252 nan 8.380 nan 0.000 0.430 139 K N 0.684 120.942 120.400 -0.237 0.000 2.444 139 K HA 0.244 4.562 4.320 -0.004 0.000 0.193 139 K C -0.186 176.292 176.600 -0.203 0.000 1.024 139 K CA -0.123 56.057 56.287 -0.178 0.000 1.077 139 K CB 0.411 32.826 32.500 -0.142 0.000 0.833 139 K HN 0.053 nan 8.250 nan 0.000 0.517 140 R N 1.489 121.807 120.500 -0.304 0.000 3.387 140 R HA -0.228 4.110 4.340 -0.004 0.000 0.254 140 R C -0.733 175.388 176.300 -0.298 0.000 1.006 140 R CA 0.762 56.680 56.100 -0.303 0.000 0.677 140 R CB -1.765 28.516 30.300 -0.033 0.000 1.063 140 R HN 0.449 nan 8.270 nan 0.000 0.453 141 Q N -0.174 119.339 119.800 -0.479 0.000 2.416 141 Q HA 0.525 4.863 4.340 -0.004 0.000 0.279 141 Q C -0.897 175.010 176.000 -0.155 0.000 1.101 141 Q CA -1.218 54.485 55.803 -0.167 0.000 0.830 141 Q CB 1.835 30.529 28.738 -0.074 0.000 1.402 141 Q HN 0.038 nan 8.270 nan 0.000 0.445 142 L N 1.849 123.179 121.223 0.179 0.000 2.265 142 L HA 0.401 4.738 4.340 -0.004 0.000 0.289 142 L C -0.829 176.152 176.870 0.184 0.000 1.033 142 L CA -0.112 54.924 54.840 0.326 0.000 0.814 142 L CB 0.923 43.244 42.059 0.437 0.000 1.203 142 L HN 0.537 nan 8.230 nan 0.000 0.423 143 I N 4.098 124.770 120.570 0.171 0.000 2.668 143 I HA -0.010 4.158 4.170 -0.004 0.000 0.285 143 I C 1.023 177.194 176.117 0.090 0.000 1.168 143 I CA 0.653 62.019 61.300 0.111 0.000 1.424 143 I CB 0.618 38.678 38.000 0.099 0.000 1.377 143 I HN 0.795 nan 8.210 nan 0.000 0.560 144 T N 1.110 115.696 114.554 0.053 0.000 3.040 144 T HA 0.199 4.547 4.350 -0.004 0.000 0.266 144 T C 0.235 174.937 174.700 0.002 0.000 1.005 144 T CA -0.518 61.601 62.100 0.032 0.000 0.906 144 T CB -0.085 68.800 68.868 0.029 0.000 1.082 144 T HN 0.669 nan 8.240 nan 0.000 0.531 145 E N 1.157 121.353 120.200 -0.006 0.000 2.221 145 E HA 0.457 4.805 4.350 -0.004 0.000 0.268 145 E C -0.819 175.751 176.600 -0.050 0.000 0.933 145 E CA -1.071 55.313 56.400 -0.027 0.000 0.809 145 E CB 0.904 30.592 29.700 -0.019 0.000 1.190 145 E HN -0.093 nan 8.360 nan 0.000 0.406 146 E N 0.915 121.073 120.200 -0.071 0.000 2.228 146 E HA -0.233 4.115 4.350 -0.004 0.000 0.213 146 E C -0.564 175.960 176.600 -0.127 0.000 1.282 146 E CA 0.866 57.205 56.400 -0.101 0.000 0.707 146 E CB -1.531 28.118 29.700 -0.085 0.000 1.150 146 E HN 0.654 nan 8.360 nan 0.000 0.362 147 R N -0.550 119.869 120.500 -0.135 0.000 2.560 147 R HA 0.565 4.902 4.340 -0.004 0.000 0.270 147 R C 0.872 177.005 176.300 -0.278 0.000 1.074 147 R CA -0.802 55.204 56.100 -0.157 0.000 1.140 147 R CB 0.688 30.934 30.300 -0.091 0.000 1.073 147 R HN 0.022 nan 8.270 nan 0.000 0.527 148 I N 2.748 123.113 120.570 -0.341 0.000 2.668 148 I HA 0.010 4.178 4.170 -0.004 0.000 0.285 148 I C -1.708 174.113 176.117 -0.493 0.000 1.168 148 I CA -1.537 59.409 61.300 -0.590 0.000 1.424 148 I CB 0.267 37.909 38.000 -0.597 0.000 1.377 148 I HN 0.428 nan 8.210 nan 0.000 0.560 149 P HA -0.010 nan 4.420 nan 0.000 0.269 149 P C -0.754 176.332 177.300 -0.357 0.000 1.211 149 P CA -0.079 62.623 63.100 -0.663 0.000 0.781 149 P CB 0.346 31.210 31.700 -1.393 0.000 0.877 150 N N 2.428 121.005 118.700 -0.205 0.000 2.483 150 N HA 0.079 4.817 4.740 -0.004 0.000 0.269 150 N C 0.270 175.848 175.510 0.113 0.000 1.209 150 N CA 0.069 53.078 53.050 -0.068 0.000 0.969 150 N CB -0.182 38.273 38.487 -0.053 0.000 1.173 150 N HN 0.406 nan 8.380 nan 0.000 0.475 151 N N -0.785 117.973 118.700 0.097 0.000 2.815 151 N HA -0.142 4.596 4.740 -0.004 0.000 0.248 151 N C -0.939 174.746 175.510 0.292 0.000 1.110 151 N CA 0.633 53.782 53.050 0.166 0.000 0.699 151 N CB -1.731 36.864 38.487 0.181 0.000 1.040 151 N HN 0.469 nan 8.380 nan 0.000 0.555 152 T N 0.894 115.610 114.554 0.270 0.000 2.814 152 T HA 0.144 4.492 4.350 -0.004 0.000 0.297 152 T C 1.724 176.569 174.700 0.241 0.000 0.956 152 T CA -0.069 62.204 62.100 0.288 0.000 1.123 152 T CB 1.289 70.209 68.868 0.086 0.000 0.902 152 T HN 0.150 nan 8.240 nan 0.000 0.528 153 Q N 2.037 121.971 119.800 0.224 0.000 2.245 153 Q HA 0.096 4.434 4.340 -0.004 0.000 0.201 153 Q C 0.211 176.379 176.000 0.279 0.000 0.955 153 Q CA 0.607 56.562 55.803 0.252 0.000 0.870 153 Q CB 0.599 29.459 28.738 0.205 0.000 0.945 153 Q HN 0.700 nan 8.270 nan 0.000 0.461 154 W N -0.314 120.942 121.300 -0.073 0.000 3.645 154 W HA 0.416 5.074 4.660 -0.003 0.000 0.285 154 W C -2.385 174.036 176.519 -0.165 0.000 1.266 154 W CA -0.582 56.669 57.345 -0.156 0.000 1.212 154 W CB 1.042 30.340 29.460 -0.271 0.000 1.306 154 W HN -0.364 nan 8.180 nan 0.000 0.552 155 V N 3.494 122.672 119.914 -1.227 0.000 2.841 155 V HA 0.751 4.869 4.120 -0.004 0.000 0.310 155 V C -0.441 175.031 176.094 -1.036 0.000 1.090 155 V CA -0.636 61.094 62.300 -0.949 0.000 0.930 155 V CB 1.874 33.043 31.823 -1.090 0.000 1.014 155 V HN 0.494 nan 8.190 nan 0.000 0.425 156 T N 2.503 116.770 114.554 -0.478 0.000 3.097 156 T HA 0.475 4.823 4.350 -0.004 0.000 0.332 156 T C -1.419 173.293 174.700 0.020 0.000 1.269 156 T CA -0.335 61.666 62.100 -0.166 0.000 1.076 156 T CB 0.736 69.742 68.868 0.230 0.000 1.209 156 T HN 0.520 nan 8.240 nan 0.000 0.474 157 W N 3.040 124.374 121.300 0.057 0.000 2.093 157 W HA 0.444 5.101 4.660 -0.004 0.000 0.352 157 W C 1.224 177.602 176.519 -0.236 0.000 1.294 157 W CA -0.519 56.812 57.345 -0.023 0.000 1.290 157 W CB 0.593 30.042 29.460 -0.017 0.000 1.149 157 W HN 0.781 nan 8.180 nan 0.000 0.606 158 S N 1.769 117.279 115.700 -0.317 0.000 2.603 158 S HA 0.144 4.612 4.470 -0.004 0.000 0.268 158 S C -1.419 172.906 174.600 -0.458 0.000 1.317 158 S CA -1.074 56.379 58.200 -1.245 0.000 1.012 158 S CB 1.078 63.464 63.200 -1.357 0.000 0.926 158 S HN 0.397 nan 8.310 nan 0.000 0.539 159 P HA 0.000 nan 4.420 nan 0.000 0.222 159 P C -0.014 177.232 177.300 -0.090 0.000 1.147 159 P CA 0.773 63.821 63.100 -0.087 0.000 0.790 159 P CB 0.014 31.712 31.700 -0.003 0.000 0.780 160 V N -1.503 118.310 119.914 -0.168 0.000 2.876 160 V HA 0.644 4.762 4.120 -0.004 0.000 0.312 160 V C 0.757 176.737 176.094 -0.189 0.000 1.085 160 V CA 0.095 62.315 62.300 -0.133 0.000 0.945 160 V CB 1.081 32.840 31.823 -0.106 0.000 1.017 160 V HN 0.467 nan 8.190 nan 0.000 0.428 161 G N 2.593 111.296 108.800 -0.161 0.000 2.509 161 G HA2 -0.197 3.760 3.960 -0.004 0.000 0.259 161 G HA3 -0.197 3.760 3.960 -0.004 0.000 0.259 161 G C 0.125 174.914 174.900 -0.185 0.000 1.169 161 G CA 0.558 45.517 45.100 -0.236 0.000 0.953 161 G HN 1.830 nan 8.290 nan 0.000 0.563 162 H N -0.537 118.523 119.070 -0.017 0.000 3.043 162 H HA 0.404 4.958 4.556 -0.003 0.000 0.244 162 H C 0.320 175.813 175.328 0.276 0.000 1.199 162 H CA -0.142 55.941 56.048 0.058 0.000 0.956 162 H CB -0.052 29.754 29.762 0.073 0.000 2.305 162 H HN 0.500 nan 8.280 nan 0.000 0.665 163 K N 1.672 122.159 120.400 0.144 0.000 2.258 163 K HA 0.452 4.769 4.320 -0.004 0.000 0.264 163 K C -0.455 176.285 176.600 0.234 0.000 1.007 163 K CA -0.249 56.123 56.287 0.142 0.000 0.941 163 K CB 1.596 34.036 32.500 -0.100 0.000 0.966 163 K HN 0.121 nan 8.250 nan 0.000 0.480 164 L N 0.839 122.206 121.223 0.241 0.000 2.388 164 L HA 0.628 4.966 4.340 -0.004 0.000 0.264 164 L C -1.041 176.030 176.870 0.334 0.000 0.998 164 L CA -0.816 54.113 54.840 0.149 0.000 0.817 164 L CB 2.199 44.177 42.059 -0.135 0.000 1.338 164 L HN 0.731 nan 8.230 nan 0.000 0.414 165 A N 2.154 125.155 122.820 0.302 0.000 2.422 165 A HA 0.833 5.151 4.320 -0.004 0.000 0.302 165 A C -1.734 175.889 177.584 0.065 0.000 1.041 165 A CA -0.381 51.742 52.037 0.144 0.000 0.708 165 A CB 1.314 20.343 19.000 0.047 0.000 1.257 165 A HN 0.652 nan 8.150 nan 0.000 0.414 166 Y N -0.757 119.494 120.300 -0.082 0.000 2.597 166 Y HA 0.744 5.292 4.550 -0.003 0.000 0.340 166 Y C -1.287 174.615 175.900 0.002 0.000 1.097 166 Y CA -1.548 56.480 58.100 -0.120 0.000 1.037 166 Y CB 1.083 39.401 38.460 -0.237 0.000 1.305 166 Y HN 0.413 nan 8.280 nan 0.000 0.463 167 V N 2.183 122.201 119.914 0.174 0.000 2.417 167 V HA 0.365 4.483 4.120 -0.004 0.000 0.291 167 V C -1.390 174.896 176.094 0.320 0.000 1.024 167 V CA -0.550 61.831 62.300 0.135 0.000 0.861 167 V CB 1.211 33.038 31.823 0.005 0.000 0.985 167 V HN 0.862 nan 8.190 nan 0.000 0.436 168 W N 5.105 126.493 121.300 0.146 0.000 3.042 168 W HA 0.465 5.123 4.660 -0.004 0.000 0.337 168 W C 0.267 176.840 176.519 0.089 0.000 1.086 168 W CA -0.820 56.588 57.345 0.105 0.000 1.236 168 W CB 1.183 30.672 29.460 0.048 0.000 1.381 168 W HN 0.790 nan 8.180 nan 0.000 0.472 169 N N 5.090 123.358 118.700 -0.721 0.000 2.735 169 N HA -0.329 4.409 4.740 -0.004 0.000 0.248 169 N C 0.005 175.313 175.510 -0.337 0.000 1.083 169 N CA 0.966 53.600 53.050 -0.693 0.000 0.703 169 N CB -0.922 36.892 38.487 -1.122 0.000 1.005 169 N HN 0.734 nan 8.380 nan 0.000 0.550 170 N N -1.380 117.195 118.700 -0.207 0.000 2.828 170 N HA -0.156 4.582 4.740 -0.004 0.000 0.248 170 N C -1.444 173.969 175.510 -0.161 0.000 1.044 170 N CA 1.715 54.670 53.050 -0.159 0.000 0.851 170 N CB -0.457 37.897 38.487 -0.222 0.000 1.136 170 N HN 0.532 nan 8.380 nan 0.000 0.572 171 D N -0.233 120.077 120.400 -0.151 0.000 2.433 171 D HA 0.499 5.136 4.640 -0.004 0.000 0.236 171 D C 0.422 176.527 176.300 -0.326 0.000 1.026 171 D CA -0.450 53.378 54.000 -0.287 0.000 0.884 171 D CB 1.380 41.948 40.800 -0.386 0.000 1.384 171 D HN -0.009 nan 8.370 nan 0.000 0.477 172 I N 1.518 121.735 120.570 -0.587 0.000 2.440 172 I HA 0.262 4.430 4.170 -0.004 0.000 0.294 172 I C -0.668 174.955 176.117 -0.824 0.000 0.995 172 I CA -0.450 60.493 61.300 -0.595 0.000 1.306 172 I CB 0.605 38.178 38.000 -0.711 0.000 1.407 172 I HN 0.171 nan 8.210 nan 0.000 0.501 173 Y N 3.825 123.723 120.300 -0.671 0.000 2.545 173 Y HA 0.692 5.240 4.550 -0.003 0.000 0.348 173 Y C -0.409 175.143 175.900 -0.580 0.000 1.002 173 Y CA -0.968 56.707 58.100 -0.708 0.000 1.039 173 Y CB 2.074 39.882 38.460 -1.087 0.000 1.271 173 Y HN 0.100 nan 8.280 nan 0.000 0.467 174 V N 2.096 121.948 119.914 -0.103 0.000 2.686 174 V HA 0.451 4.569 4.120 -0.004 0.000 0.306 174 V C -1.005 175.228 176.094 0.232 0.000 1.065 174 V CA -1.457 60.887 62.300 0.072 0.000 0.894 174 V CB 2.094 33.977 31.823 0.100 0.000 1.004 174 V HN 0.615 nan 8.190 nan 0.000 0.424 175 K N 4.255 124.802 120.400 0.246 0.000 2.358 175 K HA 0.527 4.845 4.320 -0.004 0.000 0.260 175 K C 0.389 177.138 176.600 0.248 0.000 0.956 175 K CA -0.740 55.681 56.287 0.224 0.000 0.834 175 K CB 1.926 34.512 32.500 0.144 0.000 1.102 175 K HN 0.441 nan 8.250 nan 0.000 0.431 176 I N 1.110 121.848 120.570 0.280 0.000 2.286 176 I HA -0.073 4.095 4.170 -0.004 0.000 0.245 176 I C 0.403 176.658 176.117 0.230 0.000 1.104 176 I CA 1.421 62.864 61.300 0.238 0.000 1.397 176 I CB -0.236 37.908 38.000 0.239 0.000 1.072 176 I HN 0.554 nan 8.210 nan 0.000 0.417 177 E N 0.128 120.433 120.200 0.174 0.000 2.248 177 E HA 0.279 4.627 4.350 -0.004 0.000 0.267 177 E C -1.893 174.686 176.600 -0.036 0.000 0.877 177 E CA -2.019 54.437 56.400 0.093 0.000 0.759 177 E CB 1.829 31.580 29.700 0.084 0.000 1.182 177 E HN -0.140 nan 8.360 nan 0.000 0.418 178 P HA -0.178 nan 4.420 nan 0.000 0.217 178 P C 0.787 177.999 177.300 -0.147 0.000 1.148 178 P CA 1.369 64.310 63.100 -0.264 0.000 0.828 178 P CB 0.286 31.604 31.700 -0.635 0.000 0.783 179 N N -1.397 117.241 118.700 -0.104 0.000 2.230 179 N HA 0.031 4.769 4.740 -0.004 0.000 0.202 179 N C 0.062 175.551 175.510 -0.035 0.000 1.119 179 N CA 0.148 53.169 53.050 -0.047 0.000 0.851 179 N CB -0.020 38.461 38.487 -0.010 0.000 0.990 179 N HN 0.179 nan 8.380 nan 0.000 0.497 180 L N 1.049 122.253 121.223 -0.033 0.000 2.332 180 L HA 0.545 4.883 4.340 -0.004 0.000 0.269 180 L C -2.119 174.710 176.870 -0.068 0.000 1.016 180 L CA -2.280 52.541 54.840 -0.031 0.000 0.809 180 L CB 1.483 43.545 42.059 0.005 0.000 1.280 180 L HN -0.133 nan 8.230 nan 0.000 0.447 181 P HA 0.051 nan 4.420 nan 0.000 0.269 181 P C -0.714 176.444 177.300 -0.237 0.000 1.215 181 P CA -0.206 62.798 63.100 -0.159 0.000 0.780 181 P CB 0.743 32.342 31.700 -0.168 0.000 0.898 182 S N 0.855 116.458 115.700 -0.163 0.000 2.617 182 S HA 0.321 4.789 4.470 -0.004 0.000 0.269 182 S C -0.421 174.038 174.600 -0.234 0.000 1.292 182 S CA -0.045 58.098 58.200 -0.095 0.000 1.010 182 S CB -0.090 63.157 63.200 0.077 0.000 0.944 182 S HN 0.283 nan 8.310 nan 0.000 0.536 183 Y N 0.886 121.215 120.300 0.048 0.000 2.331 183 Y HA 0.384 4.931 4.550 -0.004 0.000 0.338 183 Y C 0.833 176.656 175.900 -0.129 0.000 0.992 183 Y CA -0.645 57.458 58.100 0.004 0.000 1.121 183 Y CB 0.769 39.231 38.460 0.004 0.000 1.184 183 Y HN 0.384 nan 8.280 nan 0.000 0.469 184 R N 3.572 124.004 120.500 -0.114 0.000 2.389 184 R HA 0.203 4.541 4.340 -0.004 0.000 0.295 184 R C 0.153 176.061 176.300 -0.654 0.000 1.075 184 R CA 0.136 55.809 56.100 -0.710 0.000 1.005 184 R CB 0.684 30.386 30.300 -0.997 0.000 0.987 184 R HN 0.755 nan 8.270 nan 0.000 0.452 185 I N 1.168 121.277 120.570 -0.769 0.000 3.172 185 I HA -0.018 4.150 4.170 -0.004 0.000 0.278 185 I C 1.200 177.060 176.117 -0.429 0.000 1.174 185 I CA 0.946 61.971 61.300 -0.458 0.000 1.445 185 I CB -0.447 37.268 38.000 -0.475 0.000 1.175 185 I HN 0.522 nan 8.210 nan 0.000 0.447 186 T N -3.812 110.315 114.554 -0.711 0.000 2.907 186 T HA 0.392 4.740 4.350 -0.004 0.000 0.292 186 T C -0.155 174.239 174.700 -0.510 0.000 1.043 186 T CA -0.533 61.326 62.100 -0.401 0.000 1.003 186 T CB 2.156 70.787 68.868 -0.394 0.000 1.084 186 T HN 0.228 nan 8.240 nan 0.000 0.483 187 W N 0.704 121.888 121.300 -0.194 0.000 2.714 187 W HA 0.101 4.759 4.660 -0.003 0.000 0.353 187 W C 1.629 178.086 176.519 -0.105 0.000 0.999 187 W CA 0.092 57.358 57.345 -0.132 0.000 1.629 187 W CB 0.539 29.944 29.460 -0.092 0.000 1.106 187 W HN 0.952 nan 8.180 nan 0.000 0.545 188 T N -2.026 112.569 114.554 0.069 0.000 3.088 188 T HA 0.120 4.468 4.350 -0.004 0.000 0.259 188 T C 1.377 176.061 174.700 -0.028 0.000 1.122 188 T CA 0.420 62.536 62.100 0.028 0.000 1.095 188 T CB -0.191 68.691 68.868 0.023 0.000 0.930 188 T HN -0.028 nan 8.240 nan 0.000 0.508 189 G N 1.312 110.061 108.800 -0.086 0.000 2.163 189 G HA2 0.225 4.183 3.960 -0.004 0.000 0.239 189 G HA3 0.225 4.183 3.960 -0.004 0.000 0.239 189 G C -0.505 174.321 174.900 -0.124 0.000 1.148 189 G CA -0.218 44.805 45.100 -0.127 0.000 0.880 189 G HN 0.612 nan 8.290 nan 0.000 0.466 190 K N 1.868 122.172 120.400 -0.161 0.000 2.616 190 K HA 0.136 4.454 4.320 -0.004 0.000 0.255 190 K C -0.125 176.342 176.600 -0.222 0.000 0.995 190 K CA -0.624 55.572 56.287 -0.151 0.000 0.860 190 K CB 1.281 33.730 32.500 -0.085 0.000 1.264 190 K HN 0.665 nan 8.250 nan 0.000 0.451 191 E N 3.317 123.396 120.200 -0.202 0.000 2.966 191 E HA -0.188 4.159 4.350 -0.004 0.000 0.254 191 E C -0.528 175.970 176.600 -0.170 0.000 0.923 191 E CA 1.135 57.416 56.400 -0.198 0.000 0.960 191 E CB 0.201 29.824 29.700 -0.129 0.000 0.901 191 E HN 0.618 nan 8.360 nan 0.000 0.525 192 D N 2.645 122.919 120.400 -0.211 0.000 3.070 192 D HA -0.243 4.395 4.640 -0.004 0.000 0.220 192 D C 0.494 176.805 176.300 0.019 0.000 1.176 192 D CA 1.223 55.217 54.000 -0.010 0.000 0.924 192 D CB -0.426 40.422 40.800 0.080 0.000 1.124 192 D HN 0.404 nan 8.370 nan 0.000 0.411 193 I N -1.137 119.355 120.570 -0.131 0.000 3.669 193 I HA 0.100 4.268 4.170 -0.004 0.000 0.255 193 I C 0.736 176.887 176.117 0.057 0.000 1.144 193 I CA 0.404 61.716 61.300 0.020 0.000 1.447 193 I CB 0.094 38.096 38.000 0.004 0.000 1.622 193 I HN -0.142 nan 8.210 nan 0.000 0.435 194 I N 1.661 122.184 120.570 -0.078 0.000 2.406 194 I HA 0.283 4.451 4.170 -0.004 0.000 0.290 194 I C -1.218 174.854 176.117 -0.075 0.000 0.999 194 I CA -0.669 60.651 61.300 0.033 0.000 1.124 194 I CB 0.867 38.881 38.000 0.024 0.000 1.289 194 I HN 0.038 nan 8.210 nan 0.000 0.441 195 Y N 4.654 125.030 120.300 0.127 0.000 2.328 195 Y HA 0.410 4.958 4.550 -0.004 0.000 0.333 195 Y C 0.336 176.268 175.900 0.053 0.000 0.958 195 Y CA -0.750 57.421 58.100 0.119 0.000 1.167 195 Y CB 1.124 39.739 38.460 0.258 0.000 1.151 195 Y HN 0.411 nan 8.280 nan 0.000 0.470 196 N N 2.238 120.977 118.700 0.064 0.000 2.446 196 N HA 0.359 5.096 4.740 -0.004 0.000 0.265 196 N C 0.808 176.216 175.510 -0.169 0.000 0.975 196 N CA 0.398 53.406 53.050 -0.070 0.000 0.928 196 N CB 1.886 40.242 38.487 -0.218 0.000 1.160 196 N HN 0.982 nan 8.380 nan 0.000 0.495 197 G N 1.588 110.292 108.800 -0.159 0.000 2.179 197 G HA2 -0.251 3.707 3.960 -0.004 0.000 0.260 197 G HA3 -0.251 3.707 3.960 -0.004 0.000 0.260 197 G C 0.117 174.830 174.900 -0.310 0.000 0.977 197 G CA 0.710 45.644 45.100 -0.277 0.000 0.641 197 G HN 0.665 nan 8.290 nan 0.000 0.533 198 I N -1.923 118.544 120.570 -0.171 0.000 2.969 198 I HA 0.808 4.975 4.170 -0.004 0.000 0.307 198 I C 0.265 176.404 176.117 0.037 0.000 1.149 198 I CA -0.641 60.477 61.300 -0.304 0.000 1.008 198 I CB 1.981 39.644 38.000 -0.561 0.000 1.232 198 I HN 0.185 nan 8.210 nan 0.000 0.435 199 T N -0.344 114.173 114.554 -0.060 0.000 2.899 199 T HA 0.358 4.706 4.350 -0.004 0.000 0.284 199 T C -0.133 174.385 174.700 -0.304 0.000 1.004 199 T CA -0.615 61.372 62.100 -0.189 0.000 1.043 199 T CB 1.284 70.087 68.868 -0.108 0.000 1.013 199 T HN 0.772 nan 8.240 nan 0.000 0.518 200 D N 0.361 120.329 120.400 -0.721 0.000 2.478 200 D HA 0.028 4.666 4.640 -0.004 0.000 0.274 200 D C 0.976 177.191 176.300 -0.142 0.000 1.234 200 D CA -1.065 52.484 54.000 -0.751 0.000 1.069 200 D CB 0.108 40.447 40.800 -0.767 0.000 1.113 200 D HN 0.707 nan 8.370 nan 0.000 0.571 201 W N 0.043 121.288 121.300 -0.092 0.000 2.333 201 W HA -0.201 4.457 4.660 -0.004 0.000 0.316 201 W C 2.135 178.558 176.519 -0.161 0.000 1.215 201 W CA 2.181 59.471 57.345 -0.091 0.000 1.278 201 W CB -0.421 28.935 29.460 -0.174 0.000 1.154 201 W HN 0.181 nan 8.180 nan 0.000 0.486 202 V N -0.204 119.785 119.914 0.126 0.000 2.667 202 V HA -0.251 3.867 4.120 -0.004 0.000 0.252 202 V C 1.726 177.657 176.094 -0.271 0.000 1.065 202 V CA 1.774 64.034 62.300 -0.067 0.000 1.083 202 V CB -0.660 31.137 31.823 -0.044 0.000 0.692 202 V HN 0.293 nan 8.190 nan 0.000 0.468 203 Y N 0.487 120.608 120.300 -0.299 0.000 2.286 203 Y HA -0.105 4.443 4.550 -0.004 0.000 0.293 203 Y C 2.570 178.375 175.900 -0.158 0.000 1.124 203 Y CA 1.982 59.917 58.100 -0.275 0.000 1.178 203 Y CB 0.042 38.180 38.460 -0.536 0.000 1.010 203 Y HN 0.347 nan 8.280 nan 0.000 0.536 204 E N 0.328 120.491 120.200 -0.061 0.000 2.047 204 E HA -0.279 4.069 4.350 -0.004 0.000 0.191 204 E C 1.977 178.525 176.600 -0.087 0.000 0.987 204 E CA 1.529 57.920 56.400 -0.015 0.000 0.799 204 E CB 0.045 29.739 29.700 -0.010 0.000 0.752 204 E HN 0.393 nan 8.360 nan 0.000 0.449 205 E N 0.460 120.422 120.200 -0.397 0.000 2.028 205 E HA -0.145 4.203 4.350 -0.004 0.000 0.190 205 E C 1.570 178.053 176.600 -0.194 0.000 0.984 205 E CA 1.537 57.693 56.400 -0.408 0.000 0.800 205 E CB 0.128 29.230 29.700 -0.998 0.000 0.758 205 E HN 0.214 nan 8.360 nan 0.000 0.448 206 E N -0.698 119.367 120.200 -0.224 0.000 2.476 206 E HA 0.102 4.449 4.350 -0.004 0.000 0.199 206 E C 1.453 177.920 176.600 -0.221 0.000 1.021 206 E CA 0.255 56.572 56.400 -0.139 0.000 0.907 206 E CB 1.266 30.895 29.700 -0.118 0.000 0.974 206 E HN 0.204 nan 8.360 nan 0.000 0.489 207 V N -0.810 118.936 119.914 -0.281 0.000 2.950 207 V HA 0.082 4.200 4.120 -0.004 0.000 0.231 207 V C 1.211 177.072 176.094 -0.388 0.000 1.205 207 V CA 0.488 62.538 62.300 -0.417 0.000 1.239 207 V CB -0.130 31.311 31.823 -0.636 0.000 1.050 207 V HN 0.021 nan 8.190 nan 0.000 0.498 208 F N 0.643 120.599 119.950 0.010 0.000 2.721 208 F HA 0.325 4.850 4.527 -0.004 0.000 0.301 208 F C 1.566 177.337 175.800 -0.049 0.000 1.096 208 F CA 0.181 58.206 58.000 0.041 0.000 1.308 208 F CB -0.066 39.006 39.000 0.120 0.000 1.086 208 F HN 0.046 nan 8.300 nan 0.000 0.587 209 S N 0.613 116.342 115.700 0.047 0.000 3.521 209 S HA -0.052 4.416 4.470 -0.004 0.000 0.362 209 S C 0.161 174.420 174.600 -0.569 0.000 1.044 209 S CA 0.506 58.639 58.200 -0.111 0.000 1.091 209 S CB -1.584 61.585 63.200 -0.052 0.000 0.908 209 S HN 0.629 nan 8.310 nan 0.000 0.473 210 A N -0.759 121.908 122.820 -0.256 0.000 2.586 210 A HA 0.727 5.045 4.320 -0.004 0.000 0.290 210 A C -0.382 177.181 177.584 -0.034 0.000 1.086 210 A CA -0.405 51.466 52.037 -0.276 0.000 0.665 210 A CB 0.275 19.148 19.000 -0.212 0.000 1.279 210 A HN 0.365 nan 8.150 nan 0.000 0.423 211 Y N 1.241 121.366 120.300 -0.292 0.000 2.479 211 Y HA 0.223 4.771 4.550 -0.004 0.000 0.283 211 Y C 1.449 177.045 175.900 -0.508 0.000 1.109 211 Y CA 0.670 58.606 58.100 -0.274 0.000 1.239 211 Y CB -0.053 38.301 38.460 -0.176 0.000 1.108 211 Y HN 0.779 nan 8.280 nan 0.000 0.548 212 S N 0.813 115.922 115.700 -0.986 0.000 2.576 212 S HA 0.542 5.010 4.470 -0.004 0.000 0.276 212 S C 0.256 174.307 174.600 -0.915 0.000 1.339 212 S CA -0.108 57.320 58.200 -1.287 0.000 1.039 212 S CB 1.443 63.449 63.200 -1.989 0.000 0.902 212 S HN 0.504 nan 8.310 nan 0.000 0.516 213 A N 1.995 124.276 122.820 -0.899 0.000 2.992 213 A HA 0.538 4.856 4.320 -0.004 0.000 0.263 213 A C -0.578 176.230 177.584 -1.292 0.000 0.928 213 A CA -0.708 50.713 52.037 -1.026 0.000 1.061 213 A CB -0.594 18.232 19.000 -0.291 0.000 1.173 213 A HN 1.157 nan 8.150 nan 0.000 0.482 214 L N -4.779 115.522 121.223 -1.537 0.000 2.434 214 L HA 0.916 5.253 4.340 -0.004 0.000 0.260 214 L C -1.414 174.870 176.870 -0.977 0.000 0.983 214 L CA -1.292 52.982 54.840 -0.943 0.000 0.820 214 L CB 1.061 42.834 42.059 -0.476 0.000 1.361 214 L HN 0.221 nan 8.230 nan 0.000 0.410 215 W N 1.800 123.138 121.300 0.063 0.000 2.631 215 W HA 0.321 4.979 4.660 -0.003 0.000 0.321 215 W C -1.443 175.303 176.519 0.379 0.000 1.004 215 W CA -0.769 56.736 57.345 0.267 0.000 1.291 215 W CB 1.475 31.146 29.460 0.352 0.000 1.300 215 W HN 0.634 nan 8.180 nan 0.000 0.422 216 W N 2.561 124.069 121.300 0.346 0.000 2.181 216 W HA 0.194 4.852 4.660 -0.004 0.000 0.335 216 W C 1.329 177.721 176.519 -0.211 0.000 1.310 216 W CA 0.424 57.847 57.345 0.130 0.000 1.226 216 W CB 0.805 30.312 29.460 0.079 0.000 1.155 216 W HN 0.182 nan 8.180 nan 0.000 0.565 217 S N 2.803 118.290 115.700 -0.356 0.000 2.593 217 S HA 0.201 4.669 4.470 -0.004 0.000 0.269 217 S C -1.736 172.601 174.600 -0.439 0.000 1.334 217 S CA -1.074 56.314 58.200 -1.353 0.000 1.015 217 S CB 1.117 63.505 63.200 -1.352 0.000 0.912 217 S HN 0.295 nan 8.310 nan 0.000 0.541 218 P HA -0.215 nan 4.420 nan 0.000 0.219 218 P C 0.896 178.158 177.300 -0.063 0.000 1.161 218 P CA 1.928 64.983 63.100 -0.076 0.000 0.909 218 P CB -0.230 31.468 31.700 -0.003 0.000 0.793 219 N N -2.173 116.479 118.700 -0.079 0.000 2.270 219 N HA 0.132 4.870 4.740 -0.004 0.000 0.198 219 N C 1.118 176.562 175.510 -0.110 0.000 1.117 219 N CA 0.566 53.570 53.050 -0.076 0.000 0.845 219 N CB -0.656 37.800 38.487 -0.052 0.000 0.980 219 N HN 0.238 nan 8.380 nan 0.000 0.486 220 G N -1.053 107.690 108.800 -0.095 0.000 2.176 220 G HA2 -0.355 3.603 3.960 -0.004 0.000 0.253 220 G HA3 -0.355 3.603 3.960 -0.004 0.000 0.253 220 G C 1.048 176.005 174.900 0.095 0.000 0.979 220 G CA 0.744 45.806 45.100 -0.064 0.000 0.641 220 G HN 0.373 nan 8.290 nan 0.000 0.530 221 T N 0.263 114.791 114.554 -0.044 0.000 2.674 221 T HA 0.134 4.482 4.350 -0.004 0.000 0.265 221 T C 0.951 175.561 174.700 -0.150 0.000 1.039 221 T CA 1.425 63.415 62.100 -0.184 0.000 1.150 221 T CB -0.128 68.476 68.868 -0.441 0.000 0.864 221 T HN 0.281 nan 8.240 nan 0.000 0.427 222 F N 0.406 120.385 119.950 0.048 0.000 2.397 222 F HA 0.600 5.125 4.527 -0.004 0.000 0.331 222 F C -0.104 175.756 175.800 0.099 0.000 1.090 222 F CA -1.560 56.495 58.000 0.092 0.000 1.065 222 F CB 0.934 40.037 39.000 0.170 0.000 1.184 222 F HN -0.062 nan 8.300 nan 0.000 0.499 223 L N 2.758 124.139 121.223 0.264 0.000 2.372 223 L HA 0.805 5.142 4.340 -0.004 0.000 0.274 223 L C -0.693 176.271 176.870 0.156 0.000 0.988 223 L CA -0.452 54.368 54.840 -0.033 0.000 0.833 223 L CB 0.826 42.599 42.059 -0.477 0.000 1.236 223 L HN 0.664 nan 8.230 nan 0.000 0.410 224 A N 4.428 127.410 122.820 0.270 0.000 2.294 224 A HA 0.903 5.221 4.320 -0.004 0.000 0.330 224 A C -1.462 176.213 177.584 0.150 0.000 1.133 224 A CA -0.223 51.847 52.037 0.054 0.000 0.836 224 A CB 0.922 19.986 19.000 0.107 0.000 1.190 224 A HN 0.991 nan 8.150 nan 0.000 0.492 225 Y N -2.987 117.121 120.300 -0.319 0.000 2.702 225 Y HA 0.694 5.242 4.550 -0.003 0.000 0.336 225 Y C -0.493 175.309 175.900 -0.163 0.000 1.203 225 Y CA -0.811 57.205 58.100 -0.139 0.000 1.072 225 Y CB 0.594 38.904 38.460 -0.249 0.000 1.327 225 Y HN 1.050 nan 8.280 nan 0.000 0.456 226 A N 1.781 124.706 122.820 0.175 0.000 2.311 226 A HA 0.730 5.047 4.320 -0.004 0.000 0.334 226 A C -1.233 176.223 177.584 -0.213 0.000 1.139 226 A CA -0.842 51.142 52.037 -0.088 0.000 0.830 226 A CB 1.844 20.706 19.000 -0.230 0.000 1.234 226 A HN 0.793 nan 8.150 nan 0.000 0.483 227 Q N 1.070 120.677 119.800 -0.322 0.000 2.310 227 Q HA 0.575 4.913 4.340 -0.004 0.000 0.270 227 Q C -2.078 173.705 176.000 -0.362 0.000 1.025 227 Q CA -0.344 55.368 55.803 -0.152 0.000 0.772 227 Q CB 1.000 29.887 28.738 0.249 0.000 1.253 227 Q HN 0.588 nan 8.270 nan 0.000 0.450 228 F N 2.265 122.307 119.950 0.153 0.000 2.443 228 F HA 0.435 4.960 4.527 -0.004 0.000 0.335 228 F C 0.477 176.421 175.800 0.241 0.000 1.104 228 F CA -0.883 57.189 58.000 0.120 0.000 1.013 228 F CB 1.342 40.329 39.000 -0.021 0.000 1.136 228 F HN 0.428 nan 8.300 nan 0.000 0.470 229 N N 1.803 120.725 118.700 0.370 0.000 2.442 229 N HA 0.232 4.970 4.740 -0.004 0.000 0.274 229 N C -0.991 174.694 175.510 0.292 0.000 1.002 229 N CA -0.338 52.889 53.050 0.294 0.000 0.910 229 N CB 1.201 39.808 38.487 0.200 0.000 1.244 229 N HN 0.558 nan 8.380 nan 0.000 0.492 230 D N 1.356 121.945 120.400 0.315 0.000 2.424 230 D HA 0.132 4.770 4.640 -0.004 0.000 0.220 230 D C 1.209 177.624 176.300 0.192 0.000 1.150 230 D CA 0.094 54.258 54.000 0.273 0.000 0.831 230 D CB 0.580 41.598 40.800 0.364 0.000 0.981 230 D HN 0.474 nan 8.370 nan 0.000 0.500 231 T N 0.456 115.104 114.554 0.157 0.000 2.653 231 T HA -0.251 4.097 4.350 -0.004 0.000 0.267 231 T C 1.355 176.111 174.700 0.093 0.000 1.037 231 T CA 1.459 63.624 62.100 0.109 0.000 1.159 231 T CB -0.094 68.827 68.868 0.089 0.000 0.859 231 T HN 0.307 nan 8.240 nan 0.000 0.449 232 E N 0.147 120.404 120.200 0.095 0.000 2.465 232 E HA 0.183 4.531 4.350 -0.004 0.000 0.195 232 E C -0.470 176.180 176.600 0.084 0.000 1.028 232 E CA -0.264 56.182 56.400 0.077 0.000 0.899 232 E CB 0.589 30.328 29.700 0.065 0.000 1.032 232 E HN 0.196 nan 8.360 nan 0.000 0.468 233 V N 3.580 123.558 119.914 0.108 0.000 2.470 233 V HA 0.093 4.211 4.120 -0.004 0.000 0.276 233 V C -2.017 174.136 176.094 0.098 0.000 1.040 233 V CA -1.504 60.864 62.300 0.112 0.000 1.008 233 V CB 0.333 32.243 31.823 0.145 0.000 0.990 233 V HN 0.053 nan 8.190 nan 0.000 0.477 234 P HA 0.212 nan 4.420 nan 0.000 0.269 234 P C -0.711 176.629 177.300 0.066 0.000 1.215 234 P CA -0.157 62.981 63.100 0.064 0.000 0.780 234 P CB 0.488 32.223 31.700 0.058 0.000 0.898 235 L N 2.333 123.573 121.223 0.027 0.000 2.309 235 L HA 0.451 4.789 4.340 -0.004 0.000 0.282 235 L C 0.300 177.124 176.870 -0.077 0.000 1.036 235 L CA -0.961 53.877 54.840 -0.002 0.000 0.806 235 L CB 1.047 43.100 42.059 -0.011 0.000 1.220 235 L HN 0.289 nan 8.230 nan 0.000 0.429 236 I N 2.504 122.982 120.570 -0.154 0.000 2.428 236 I HA 0.275 4.443 4.170 -0.004 0.000 0.289 236 I C -0.354 175.616 176.117 -0.245 0.000 1.019 236 I CA 0.146 61.253 61.300 -0.322 0.000 1.351 236 I CB 0.859 38.416 38.000 -0.738 0.000 1.412 236 I HN 0.585 nan 8.210 nan 0.000 0.513 237 E N 7.267 127.340 120.200 -0.211 0.000 2.272 237 E HA 0.533 4.880 4.350 -0.004 0.000 0.269 237 E C -1.818 174.719 176.600 -0.106 0.000 0.877 237 E CA -0.597 55.680 56.400 -0.205 0.000 0.755 237 E CB 2.224 31.833 29.700 -0.152 0.000 1.192 237 E HN 0.570 nan 8.360 nan 0.000 0.422 238 Y N -1.873 118.335 120.300 -0.154 0.000 2.624 238 Y HA 0.528 5.075 4.550 -0.004 0.000 0.334 238 Y C -0.865 174.961 175.900 -0.122 0.000 1.155 238 Y CA -1.215 56.801 58.100 -0.140 0.000 1.046 238 Y CB 0.820 39.197 38.460 -0.138 0.000 1.316 238 Y HN 0.228 nan 8.280 nan 0.000 0.457 239 S N 1.875 117.569 115.700 -0.010 0.000 2.584 239 S HA 0.518 4.986 4.470 -0.004 0.000 0.273 239 S C -1.437 173.028 174.600 -0.225 0.000 1.311 239 S CA -0.367 57.680 58.200 -0.255 0.000 1.034 239 S CB 0.605 63.490 63.200 -0.524 0.000 0.939 239 S HN 0.536 nan 8.310 nan 0.000 0.513 240 F N 2.142 121.822 119.950 -0.450 0.000 2.539 240 F HA 0.429 4.954 4.527 -0.004 0.000 0.328 240 F C -0.375 175.196 175.800 -0.381 0.000 1.148 240 F CA -0.941 56.902 58.000 -0.262 0.000 0.940 240 F CB 0.793 39.761 39.000 -0.054 0.000 1.194 240 F HN 0.640 nan 8.300 nan 0.000 0.438 241 Y N 2.743 122.818 120.300 -0.375 0.000 2.448 241 Y HA 0.136 4.684 4.550 -0.004 0.000 0.289 241 Y C 1.719 177.531 175.900 -0.147 0.000 1.114 241 Y CA 1.015 58.993 58.100 -0.203 0.000 1.235 241 Y CB -0.610 37.728 38.460 -0.202 0.000 1.045 241 Y HN 0.731 nan 8.280 nan 0.000 0.554 242 S N -0.306 115.280 115.700 -0.190 0.000 3.443 242 S HA -0.218 4.249 4.470 -0.004 0.000 0.635 242 S C -0.532 174.104 174.600 0.059 0.000 2.555 242 S CA 0.322 58.566 58.200 0.072 0.000 2.778 242 S CB -1.209 62.136 63.200 0.241 0.000 0.331 242 S HN 0.454 nan 8.310 nan 0.000 1.765 243 D N 1.543 121.999 120.400 0.094 0.000 2.368 243 D HA 0.185 4.823 4.640 -0.004 0.000 0.240 243 D C 1.388 177.717 176.300 0.049 0.000 1.169 243 D CA 0.291 54.330 54.000 0.064 0.000 0.906 243 D CB 0.226 41.067 40.800 0.067 0.000 1.187 243 D HN 0.619 nan 8.370 nan 0.000 0.435 244 E N 0.469 120.686 120.200 0.029 0.000 2.187 244 E HA -0.247 4.101 4.350 -0.004 0.000 0.199 244 E C 1.556 178.169 176.600 0.021 0.000 1.004 244 E CA 1.450 57.860 56.400 0.016 0.000 0.813 244 E CB 0.129 29.833 29.700 0.006 0.000 0.736 244 E HN 0.456 nan 8.360 nan 0.000 0.468 245 S N 0.096 115.815 115.700 0.031 0.000 2.474 245 S HA -0.138 4.329 4.470 -0.004 0.000 0.235 245 S C 0.897 175.522 174.600 0.043 0.000 0.997 245 S CA 0.036 58.256 58.200 0.032 0.000 0.949 245 S CB -0.158 63.064 63.200 0.036 0.000 0.766 245 S HN 0.210 nan 8.310 nan 0.000 0.517 246 L N 2.470 123.727 121.223 0.056 0.000 2.369 246 L HA 0.300 4.638 4.340 -0.004 0.000 0.279 246 L C 1.387 178.292 176.870 0.058 0.000 1.108 246 L CA 0.073 54.958 54.840 0.074 0.000 0.852 246 L CB 0.668 42.784 42.059 0.095 0.000 1.169 246 L HN 0.278 nan 8.230 nan 0.000 0.452 247 Q N 4.038 123.877 119.800 0.065 0.000 2.046 247 Q HA -0.097 4.241 4.340 -0.004 0.000 0.200 247 Q C -0.468 175.465 176.000 -0.112 0.000 0.975 247 Q CA 1.383 57.176 55.803 -0.016 0.000 0.836 247 Q CB 0.080 28.834 28.738 0.026 0.000 0.896 247 Q HN 0.673 nan 8.270 nan 0.000 0.428 248 Y N 0.849 121.160 120.300 0.020 0.000 2.331 248 Y HA 0.376 4.923 4.550 -0.004 0.000 0.338 248 Y C -2.006 173.901 175.900 0.011 0.000 0.992 248 Y CA -2.892 55.215 58.100 0.013 0.000 1.121 248 Y CB 1.297 39.757 38.460 -0.000 0.000 1.184 248 Y HN 0.189 nan 8.280 nan 0.000 0.469 249 P HA 0.006 nan 4.420 nan 0.000 0.268 249 P C -0.775 176.529 177.300 0.006 0.000 1.208 249 P CA -0.441 62.668 63.100 0.015 0.000 0.777 249 P CB 0.681 32.332 31.700 -0.082 0.000 0.875 250 K N 1.094 121.481 120.400 -0.022 0.000 2.130 250 K HA 0.333 4.651 4.320 -0.004 0.000 0.268 250 K C -0.752 175.800 176.600 -0.079 0.000 0.983 250 K CA -0.324 55.957 56.287 -0.010 0.000 0.893 250 K CB 0.583 33.113 32.500 0.051 0.000 1.066 250 K HN 0.321 nan 8.250 nan 0.000 0.450 251 T N 3.142 117.637 114.554 -0.099 0.000 2.753 251 T HA 0.204 4.552 4.350 -0.004 0.000 0.297 251 T C -0.529 174.041 174.700 -0.216 0.000 0.981 251 T CA -0.570 61.434 62.100 -0.160 0.000 0.956 251 T CB 0.910 69.700 68.868 -0.131 0.000 0.936 251 T HN 0.289 nan 8.240 nan 0.000 0.463 252 V N 5.841 125.527 119.914 -0.379 0.000 2.488 252 V HA 0.378 4.496 4.120 -0.004 0.000 0.277 252 V C 0.459 176.273 176.094 -0.466 0.000 1.046 252 V CA -0.385 61.640 62.300 -0.458 0.000 0.986 252 V CB 0.643 32.040 31.823 -0.710 0.000 0.989 252 V HN 0.711 nan 8.190 nan 0.000 0.475 253 R N 3.632 123.995 120.500 -0.229 0.000 2.409 253 R HA 0.728 5.066 4.340 -0.004 0.000 0.313 253 R C -1.256 175.029 176.300 -0.026 0.000 0.953 253 R CA -0.527 55.486 56.100 -0.146 0.000 0.849 253 R CB 2.249 32.494 30.300 -0.093 0.000 1.171 253 R HN 0.535 nan 8.270 nan 0.000 0.458 254 V N 3.191 123.095 119.914 -0.018 0.000 2.760 254 V HA 0.525 4.643 4.120 -0.004 0.000 0.309 254 V C -2.718 173.438 176.094 0.103 0.000 1.077 254 V CA -2.767 59.597 62.300 0.107 0.000 0.910 254 V CB 2.557 34.490 31.823 0.183 0.000 1.008 254 V HN 0.522 nan 8.190 nan 0.000 0.424 255 P HA 0.205 nan 4.420 nan 0.000 0.261 255 P C -1.769 175.654 177.300 0.206 0.000 1.203 255 P CA 0.664 63.884 63.100 0.199 0.000 0.767 255 P CB -0.338 31.528 31.700 0.276 0.000 0.785 256 Y N 6.447 126.735 120.300 -0.021 0.000 2.307 256 Y HA 0.352 4.899 4.550 -0.004 0.000 0.323 256 Y C -2.724 173.150 175.900 -0.045 0.000 1.100 256 Y CA -2.753 55.284 58.100 -0.106 0.000 1.140 256 Y CB 1.812 40.082 38.460 -0.316 0.000 1.159 256 Y HN 0.284 nan 8.280 nan 0.000 0.436 257 P HA 0.239 nan 4.420 nan 0.000 0.284 257 P C -0.852 176.477 177.300 0.048 0.000 1.343 257 P CA -0.161 62.967 63.100 0.046 0.000 0.826 257 P CB 1.222 32.940 31.700 0.029 0.000 0.956 258 K N 2.081 122.594 120.400 0.188 0.000 2.120 258 K HA 0.468 4.786 4.320 -0.004 0.000 0.245 258 K C 0.637 177.322 176.600 0.142 0.000 1.024 258 K CA -0.663 55.750 56.287 0.210 0.000 0.906 258 K CB 0.474 33.115 32.500 0.236 0.000 1.051 258 K HN 0.441 nan 8.250 nan 0.000 0.491 259 A N 0.706 123.635 122.820 0.182 0.000 2.580 259 A HA 0.262 4.580 4.320 -0.004 0.000 0.244 259 A C 1.194 178.806 177.584 0.047 0.000 1.045 259 A CA 1.008 53.142 52.037 0.161 0.000 0.761 259 A CB -1.205 17.970 19.000 0.291 0.000 0.962 259 A HN 0.901 nan 8.150 nan 0.000 0.512 260 G N 0.904 109.725 108.800 0.035 0.000 2.184 260 G HA2 0.094 4.052 3.960 -0.004 0.000 0.264 260 G HA3 0.094 4.052 3.960 -0.004 0.000 0.264 260 G C 0.676 175.585 174.900 0.015 0.000 0.975 260 G CA 0.838 45.935 45.100 -0.006 0.000 0.642 260 G HN 2.180 nan 8.290 nan 0.000 0.536 261 A N -0.466 122.379 122.820 0.042 0.000 2.249 261 A HA 0.753 5.071 4.320 -0.004 0.000 0.281 261 A C 0.814 178.427 177.584 0.049 0.000 1.127 261 A CA 0.267 52.333 52.037 0.048 0.000 0.833 261 A CB 0.727 19.768 19.000 0.069 0.000 1.140 261 A HN 1.138 nan 8.150 nan 0.000 0.502 262 V N 2.566 122.511 119.914 0.052 0.000 2.485 262 V HA 0.023 4.141 4.120 -0.004 0.000 0.287 262 V C 0.247 176.385 176.094 0.073 0.000 1.022 262 V CA -0.086 62.247 62.300 0.054 0.000 1.067 262 V CB -0.412 31.443 31.823 0.055 0.000 0.967 262 V HN 0.770 nan 8.190 nan 0.000 0.479 263 N N 6.762 125.504 118.700 0.071 0.000 2.493 263 N HA 0.452 5.189 4.740 -0.004 0.000 0.275 263 N C -2.281 173.311 175.510 0.137 0.000 1.186 263 N CA -1.451 51.663 53.050 0.107 0.000 0.978 263 N CB 1.028 39.572 38.487 0.095 0.000 1.184 263 N HN 0.398 nan 8.380 nan 0.000 0.487 264 P HA 0.111 nan 4.420 nan 0.000 0.274 264 P C -0.474 176.978 177.300 0.253 0.000 1.237 264 P CA -0.183 63.070 63.100 0.254 0.000 0.793 264 P CB 0.501 32.399 31.700 0.329 0.000 0.977 265 T N -1.793 112.892 114.554 0.218 0.000 2.952 265 T HA 0.603 4.951 4.350 -0.004 0.000 0.286 265 T C -0.286 174.547 174.700 0.221 0.000 1.024 265 T CA -0.819 61.370 62.100 0.148 0.000 1.029 265 T CB 1.472 70.397 68.868 0.095 0.000 1.094 265 T HN 0.355 nan 8.240 nan 0.000 0.515 266 V N 0.239 120.259 119.914 0.178 0.000 3.007 266 V HA 0.786 4.904 4.120 -0.004 0.000 0.311 266 V C -1.652 174.524 176.094 0.136 0.000 1.120 266 V CA -0.898 61.484 62.300 0.136 0.000 0.980 266 V CB 2.165 34.114 31.823 0.210 0.000 1.033 266 V HN 1.076 nan 8.190 nan 0.000 0.429 267 K N 4.034 124.444 120.400 0.017 0.000 2.469 267 K HA 0.551 4.868 4.320 -0.004 0.000 0.254 267 K C -1.983 174.505 176.600 -0.186 0.000 0.939 267 K CA -0.447 55.799 56.287 -0.068 0.000 0.812 267 K CB 2.760 35.181 32.500 -0.131 0.000 1.301 267 K HN 0.553 nan 8.250 nan 0.000 0.433 268 F N 2.542 122.181 119.950 -0.518 0.000 2.495 268 F HA 0.592 5.117 4.527 -0.004 0.000 0.327 268 F C -1.383 173.897 175.800 -0.868 0.000 1.103 268 F CA -0.645 57.043 58.000 -0.520 0.000 0.949 268 F CB 0.805 39.622 39.000 -0.304 0.000 1.142 268 F HN 0.397 nan 8.300 nan 0.000 0.457 269 F N 3.474 122.676 119.950 -1.247 0.000 2.629 269 F HA 0.791 5.316 4.527 -0.004 0.000 0.316 269 F C -1.005 174.094 175.800 -1.168 0.000 1.081 269 F CA -1.262 56.114 58.000 -1.039 0.000 0.954 269 F CB 1.977 40.348 39.000 -1.049 0.000 1.337 269 F HN 0.122 nan 8.300 nan 0.000 0.474 270 V N 2.013 121.679 119.914 -0.413 0.000 2.668 270 V HA 0.574 4.692 4.120 -0.004 0.000 0.304 270 V C -1.268 174.881 176.094 0.092 0.000 1.071 270 V CA -0.771 61.370 62.300 -0.264 0.000 0.894 270 V CB 1.899 33.382 31.823 -0.566 0.000 1.008 270 V HN 0.639 nan 8.190 nan 0.000 0.425 271 V N 4.282 124.322 119.914 0.210 0.000 2.628 271 V HA 0.547 4.664 4.120 -0.004 0.000 0.306 271 V C -0.073 176.232 176.094 0.351 0.000 1.045 271 V CA -0.607 61.849 62.300 0.261 0.000 0.905 271 V CB 2.013 33.939 31.823 0.171 0.000 0.997 271 V HN 1.010 nan 8.190 nan 0.000 0.436 272 N N 3.199 122.084 118.700 0.308 0.000 2.469 272 N HA 0.133 4.871 4.740 -0.004 0.000 0.239 272 N C 1.279 176.787 175.510 -0.003 0.000 1.053 272 N CA 0.333 53.454 53.050 0.118 0.000 0.937 272 N CB 1.076 39.594 38.487 0.052 0.000 1.163 272 N HN 0.905 nan 8.380 nan 0.000 0.509 273 T N 0.248 114.799 114.554 -0.004 0.000 2.929 273 T HA -0.121 4.226 4.350 -0.004 0.000 0.271 273 T C 0.998 175.658 174.700 -0.067 0.000 1.085 273 T CA 0.936 63.033 62.100 -0.004 0.000 1.125 273 T CB -0.011 68.949 68.868 0.154 0.000 0.874 273 T HN 0.380 nan 8.240 nan 0.000 0.494 274 D N 1.761 122.098 120.400 -0.105 0.000 2.310 274 D HA -0.022 4.616 4.640 -0.004 0.000 0.212 274 D C 2.223 178.461 176.300 -0.103 0.000 0.965 274 D CA 1.256 55.191 54.000 -0.109 0.000 0.879 274 D CB -0.132 40.581 40.800 -0.143 0.000 0.921 274 D HN 0.709 nan 8.370 nan 0.000 0.510 275 S N -0.766 114.873 115.700 -0.101 0.000 2.535 275 S HA 0.093 4.561 4.470 -0.004 0.000 0.214 275 S C 2.047 176.568 174.600 -0.130 0.000 0.980 275 S CA -0.251 57.902 58.200 -0.078 0.000 0.907 275 S CB -0.168 63.016 63.200 -0.026 0.000 0.790 275 S HN 0.154 nan 8.310 nan 0.000 0.510 276 L N 2.452 123.528 121.223 -0.245 0.000 2.043 276 L HA -0.135 4.203 4.340 -0.004 0.000 0.212 276 L C 2.851 179.407 176.870 -0.523 0.000 1.075 276 L CA 1.718 56.255 54.840 -0.505 0.000 0.752 276 L CB -0.844 40.647 42.059 -0.947 0.000 0.891 276 L HN 0.598 nan 8.230 nan 0.000 0.432 277 S N -2.763 112.733 115.700 -0.341 0.000 2.603 277 S HA 0.025 4.493 4.470 -0.004 0.000 0.220 277 S C 1.607 176.216 174.600 0.014 0.000 0.967 277 S CA 0.545 58.713 58.200 -0.054 0.000 0.920 277 S CB 0.269 63.499 63.200 0.051 0.000 0.773 277 S HN 0.266 nan 8.310 nan 0.000 0.529 278 S N 0.623 116.309 115.700 -0.023 0.000 2.505 278 S HA 0.358 4.826 4.470 -0.004 0.000 0.216 278 S C 0.507 175.120 174.600 0.021 0.000 1.018 278 S CA 0.094 58.300 58.200 0.009 0.000 0.911 278 S CB 0.659 63.859 63.200 0.000 0.000 0.818 278 S HN 0.648 nan 8.310 nan 0.000 0.497 279 V N -0.298 119.626 119.914 0.016 0.000 3.074 279 V HA 0.613 4.731 4.120 -0.004 0.000 0.314 279 V C 1.145 177.277 176.094 0.063 0.000 1.117 279 V CA -0.356 61.965 62.300 0.035 0.000 1.014 279 V CB 1.122 32.962 31.823 0.030 0.000 1.057 279 V HN 0.214 nan 8.190 nan 0.000 0.438 280 T N -1.420 113.175 114.554 0.069 0.000 2.851 280 T HA 0.041 4.389 4.350 -0.004 0.000 0.262 280 T C 0.792 175.566 174.700 0.123 0.000 1.043 280 T CA 1.470 63.628 62.100 0.097 0.000 1.140 280 T CB -0.345 68.561 68.868 0.063 0.000 0.872 280 T HN 0.731 nan 8.240 nan 0.000 0.446 281 N N 1.487 120.236 118.700 0.082 0.000 2.664 281 N HA 0.548 5.286 4.740 -0.004 0.000 0.257 281 N C -0.953 174.607 175.510 0.083 0.000 1.108 281 N CA -0.381 52.728 53.050 0.099 0.000 0.822 281 N CB 1.209 39.693 38.487 -0.005 0.000 1.199 281 N HN 0.564 nan 8.380 nan 0.000 0.529 282 A N 1.918 124.792 122.820 0.090 0.000 2.540 282 A HA 0.253 4.571 4.320 -0.004 0.000 0.239 282 A C 0.375 178.016 177.584 0.096 0.000 1.061 282 A CA 0.345 52.424 52.037 0.071 0.000 0.758 282 A CB -0.137 18.885 19.000 0.035 0.000 0.991 282 A HN 0.529 nan 8.150 nan 0.000 0.502 283 T N 2.823 117.440 114.554 0.105 0.000 2.814 283 T HA 0.275 4.623 4.350 -0.004 0.000 0.297 283 T C 0.472 175.265 174.700 0.155 0.000 0.956 283 T CA 0.224 62.396 62.100 0.119 0.000 1.123 283 T CB 0.486 69.429 68.868 0.124 0.000 0.902 283 T HN 0.540 nan 8.240 nan 0.000 0.528 284 S N 4.241 120.022 115.700 0.136 0.000 2.400 284 S HA 0.256 4.724 4.470 -0.004 0.000 0.295 284 S C 0.433 175.175 174.600 0.237 0.000 1.113 284 S CA -0.732 57.559 58.200 0.153 0.000 1.064 284 S CB -0.188 63.023 63.200 0.019 0.000 0.990 284 S HN 0.435 nan 8.310 nan 0.000 0.502 285 I N 3.773 124.492 120.570 0.247 0.000 2.452 285 I HA 0.152 4.319 4.170 -0.004 0.000 0.287 285 I C 0.735 176.959 176.117 0.179 0.000 1.079 285 I CA 0.029 61.488 61.300 0.265 0.000 1.387 285 I CB 0.289 38.535 38.000 0.410 0.000 1.404 285 I HN 0.633 nan 8.210 nan 0.000 0.522 286 Q N 6.574 126.462 119.800 0.147 0.000 2.259 286 Q HA 0.516 4.853 4.340 -0.004 0.000 0.246 286 Q C -1.152 174.801 176.000 -0.078 0.000 0.920 286 Q CA -0.487 55.236 55.803 -0.133 0.000 0.895 286 Q CB 1.372 29.966 28.738 -0.240 0.000 1.220 286 Q HN 0.575 nan 8.270 nan 0.000 0.439 287 I N 3.898 124.404 120.570 -0.106 0.000 2.390 287 I HA 0.203 4.371 4.170 -0.004 0.000 0.283 287 I C 0.075 176.200 176.117 0.013 0.000 1.016 287 I CA -0.774 60.538 61.300 0.020 0.000 1.151 287 I CB 1.603 39.657 38.000 0.091 0.000 1.293 287 I HN 0.713 nan 8.210 nan 0.000 0.458 288 T N 2.901 117.422 114.554 -0.056 0.000 2.899 288 T HA 0.604 4.952 4.350 -0.004 0.000 0.295 288 T C 0.419 174.940 174.700 -0.298 0.000 1.033 288 T CA -0.775 61.236 62.100 -0.150 0.000 1.084 288 T CB 1.553 70.330 68.868 -0.152 0.000 0.979 288 T HN 0.575 nan 8.240 nan 0.000 0.532 289 A N 3.843 126.262 122.820 -0.668 0.000 2.366 289 A HA 0.563 4.881 4.320 -0.004 0.000 0.249 289 A C -1.805 175.312 177.584 -0.779 0.000 1.084 289 A CA -1.609 49.624 52.037 -1.339 0.000 0.794 289 A CB -0.608 17.164 19.000 -2.046 0.000 1.034 289 A HN 0.827 nan 8.150 nan 0.000 0.491 290 P HA 0.116 nan 4.420 nan 0.000 0.269 290 P C 0.736 177.829 177.300 -0.345 0.000 1.215 290 P CA 0.599 63.468 63.100 -0.385 0.000 0.780 290 P CB 0.819 32.356 31.700 -0.272 0.000 0.898 291 A N 3.036 125.721 122.820 -0.225 0.000 1.948 291 A HA -0.219 4.099 4.320 -0.004 0.000 0.220 291 A C 2.206 179.687 177.584 -0.171 0.000 1.177 291 A CA 2.447 54.374 52.037 -0.182 0.000 0.636 291 A CB -1.763 17.163 19.000 -0.123 0.000 0.815 291 A HN 0.685 nan 8.150 nan 0.000 0.449 292 S N -1.615 114.003 115.700 -0.137 0.000 2.500 292 S HA -0.060 4.407 4.470 -0.004 0.000 0.239 292 S C 1.651 176.179 174.600 -0.120 0.000 0.989 292 S CA 1.484 59.632 58.200 -0.088 0.000 0.951 292 S CB -0.236 62.985 63.200 0.036 0.000 0.759 292 S HN 0.418 nan 8.310 nan 0.000 0.523 293 M N 0.565 120.017 119.600 -0.246 0.000 2.657 293 M HA 0.384 4.862 4.480 -0.004 0.000 0.262 293 M C 1.872 177.886 176.300 -0.475 0.000 1.213 293 M CA 0.579 55.660 55.300 -0.365 0.000 1.182 293 M CB -0.991 31.243 32.600 -0.610 0.000 1.303 293 M HN 0.311 nan 8.290 nan 0.000 0.501 294 L N 1.110 122.058 121.223 -0.458 0.000 2.362 294 L HA -0.116 4.222 4.340 -0.004 0.000 0.219 294 L C 2.265 179.053 176.870 -0.137 0.000 1.134 294 L CA 0.621 55.276 54.840 -0.309 0.000 0.807 294 L CB -0.881 41.021 42.059 -0.262 0.000 0.927 294 L HN 0.313 nan 8.230 nan 0.000 0.447 295 I N -2.610 117.883 120.570 -0.128 0.000 2.756 295 I HA 0.106 4.273 4.170 -0.004 0.000 0.262 295 I C 1.050 177.140 176.117 -0.044 0.000 1.225 295 I CA 0.687 61.939 61.300 -0.079 0.000 1.472 295 I CB -0.453 37.494 38.000 -0.087 0.000 1.094 295 I HN 0.102 nan 8.210 nan 0.000 0.454 296 G N 0.069 108.859 108.800 -0.017 0.000 2.706 296 G HA2 0.281 4.239 3.960 -0.004 0.000 0.307 296 G HA3 0.281 4.239 3.960 -0.004 0.000 0.307 296 G C -1.816 173.144 174.900 0.100 0.000 1.307 296 G CA -0.562 44.548 45.100 0.017 0.000 0.790 296 G HN 0.023 nan 8.290 nan 0.000 0.503 297 D N 1.063 121.479 120.400 0.026 0.000 2.399 297 D HA 0.445 5.083 4.640 -0.004 0.000 0.241 297 D C 0.330 176.597 176.300 -0.055 0.000 1.133 297 D CA 0.579 54.547 54.000 -0.054 0.000 0.890 297 D CB 0.627 41.346 40.800 -0.135 0.000 1.201 297 D HN 0.536 nan 8.370 nan 0.000 0.432 298 H N -0.968 117.963 119.070 -0.232 0.000 2.928 298 H HA 0.465 5.019 4.556 -0.004 0.000 0.285 298 H C -1.376 173.796 175.328 -0.261 0.000 1.438 298 H CA -0.792 55.123 56.048 -0.222 0.000 1.176 298 H CB 0.395 30.159 29.762 0.004 0.000 1.864 298 H HN 0.302 nan 8.280 nan 0.000 0.567 299 Y N -0.013 120.503 120.300 0.360 0.000 2.524 299 Y HA 0.368 4.916 4.550 -0.004 0.000 0.347 299 Y C -0.474 175.703 175.900 0.463 0.000 1.005 299 Y CA -1.091 57.223 58.100 0.357 0.000 1.025 299 Y CB 2.092 40.611 38.460 0.100 0.000 1.275 299 Y HN 0.484 nan 8.280 nan 0.000 0.460 300 L N 3.611 125.205 121.223 0.617 0.000 2.260 300 L HA 0.388 4.726 4.340 -0.004 0.000 0.289 300 L C 0.477 177.401 176.870 0.091 0.000 1.057 300 L CA -0.255 54.602 54.840 0.028 0.000 0.811 300 L CB 0.259 42.248 42.059 -0.116 0.000 1.184 300 L HN 0.976 nan 8.230 nan 0.000 0.429 301 C N 1.494 120.694 119.300 -0.168 0.000 3.228 301 C HA 0.503 4.961 4.460 -0.004 0.000 0.290 301 C C 0.220 174.972 174.990 -0.395 0.000 1.301 301 C CA -0.333 58.492 59.018 -0.322 0.000 1.703 301 C CB -0.710 26.910 27.740 -0.199 0.000 2.141 301 C HN 0.857 nan 8.230 nan 0.000 0.656 302 D N 0.062 120.273 120.400 -0.315 0.000 2.769 302 D HA 0.448 5.086 4.640 -0.004 0.000 0.219 302 D C -1.889 174.137 176.300 -0.457 0.000 1.245 302 D CA 0.090 53.944 54.000 -0.244 0.000 0.801 302 D CB 2.705 43.365 40.800 -0.232 0.000 1.598 302 D HN 0.053 nan 8.370 nan 0.000 0.485 303 V N 2.319 121.919 119.914 -0.523 0.000 2.569 303 V HA 0.563 4.681 4.120 -0.004 0.000 0.301 303 V C -0.546 175.169 176.094 -0.631 0.000 1.044 303 V CA -0.388 61.374 62.300 -0.896 0.000 0.874 303 V CB 1.999 32.803 31.823 -1.700 0.000 1.002 303 V HN 0.663 nan 8.190 nan 0.000 0.424 304 T N 3.505 117.764 114.554 -0.493 0.000 3.109 304 T HA 0.366 4.714 4.350 -0.004 0.000 0.311 304 T C -0.985 173.573 174.700 -0.237 0.000 1.011 304 T CA -0.478 61.492 62.100 -0.217 0.000 1.026 304 T CB 0.934 69.755 68.868 -0.078 0.000 1.047 304 T HN 0.514 nan 8.240 nan 0.000 0.448 305 W N 1.927 123.167 121.300 -0.100 0.000 2.218 305 W HA 0.511 5.168 4.660 -0.004 0.000 0.326 305 W C 1.096 177.478 176.519 -0.228 0.000 1.276 305 W CA -0.361 56.913 57.345 -0.119 0.000 1.210 305 W CB 0.680 30.154 29.460 0.024 0.000 1.143 305 W HN 0.837 nan 8.180 nan 0.000 0.563 306 A N 1.689 124.395 122.820 -0.189 0.000 1.993 306 A HA 0.244 4.562 4.320 -0.004 0.000 0.207 306 A C 0.768 178.301 177.584 -0.086 0.000 1.224 306 A CA 1.421 53.106 52.037 -0.588 0.000 0.749 306 A CB -0.223 17.898 19.000 -1.465 0.000 0.884 306 A HN 0.534 nan 8.150 nan 0.000 0.467 307 T N -5.656 108.957 114.554 0.099 0.000 2.671 307 T HA 0.319 4.666 4.350 -0.004 0.000 0.300 307 T C 0.017 174.866 174.700 0.249 0.000 1.238 307 T CA -0.349 61.846 62.100 0.158 0.000 1.020 307 T CB 0.616 69.566 68.868 0.136 0.000 1.503 307 T HN -0.085 nan 8.240 nan 0.000 0.497 308 Q N 0.428 120.343 119.800 0.191 0.000 2.226 308 Q HA -0.005 4.333 4.340 -0.004 0.000 0.204 308 Q C 0.772 177.012 176.000 0.400 0.000 0.975 308 Q CA 1.557 57.478 55.803 0.197 0.000 0.866 308 Q CB -0.174 28.651 28.738 0.144 0.000 0.915 308 Q HN 0.847 nan 8.270 nan 0.000 0.440 309 E N -0.232 120.214 120.200 0.410 0.000 2.968 309 E HA 0.231 4.578 4.350 -0.004 0.000 0.202 309 E C -0.243 176.642 176.600 0.475 0.000 0.979 309 E CA -0.178 56.504 56.400 0.470 0.000 1.192 309 E CB 1.071 30.959 29.700 0.314 0.000 1.059 309 E HN -0.040 nan 8.360 nan 0.000 0.470 310 R N 1.664 122.466 120.500 0.505 0.000 2.533 310 R HA 0.520 4.858 4.340 -0.004 0.000 0.288 310 R C -1.768 174.592 176.300 0.100 0.000 1.039 310 R CA -0.470 55.803 56.100 0.288 0.000 0.909 310 R CB 1.464 31.814 30.300 0.083 0.000 1.195 310 R HN 0.116 nan 8.270 nan 0.000 0.438 311 I N 2.918 123.382 120.570 -0.176 0.000 2.608 311 I HA 0.423 4.591 4.170 -0.004 0.000 0.295 311 I C -0.851 174.979 176.117 -0.478 0.000 1.049 311 I CA -0.489 60.439 61.300 -0.620 0.000 1.063 311 I CB 2.261 39.467 38.000 -1.324 0.000 1.248 311 I HN 0.799 nan 8.210 nan 0.000 0.424 312 S N 7.533 122.938 115.700 -0.493 0.000 2.501 312 S HA 0.782 5.250 4.470 -0.004 0.000 0.301 312 S C -0.954 173.342 174.600 -0.507 0.000 1.096 312 S CA -0.746 57.237 58.200 -0.361 0.000 1.063 312 S CB 1.630 64.732 63.200 -0.164 0.000 1.042 312 S HN 0.548 nan 8.310 nan 0.000 0.494 313 L N 1.795 122.732 121.223 -0.477 0.000 2.401 313 L HA 0.569 4.907 4.340 -0.004 0.000 0.266 313 L C -0.449 176.121 176.870 -0.500 0.000 0.991 313 L CA -0.710 53.726 54.840 -0.674 0.000 0.818 313 L CB 2.204 43.756 42.059 -0.844 0.000 1.321 313 L HN 0.675 nan 8.230 nan 0.000 0.413 314 Q N 1.471 120.922 119.800 -0.581 0.000 2.340 314 Q HA 0.446 4.784 4.340 -0.004 0.000 0.268 314 Q C -1.761 174.007 176.000 -0.388 0.000 1.031 314 Q CA -0.578 55.022 55.803 -0.337 0.000 0.804 314 Q CB 2.602 31.191 28.738 -0.248 0.000 1.286 314 Q HN 0.418 nan 8.270 nan 0.000 0.448 315 W N 2.308 123.557 121.300 -0.085 0.000 2.647 315 W HA 0.669 5.327 4.660 -0.003 0.000 0.353 315 W C -0.892 175.654 176.519 0.045 0.000 1.080 315 W CA -0.694 56.654 57.345 0.004 0.000 1.208 315 W CB 1.142 30.592 29.460 -0.016 0.000 1.396 315 W HN 0.392 nan 8.180 nan 0.000 0.573 316 L N 2.209 123.666 121.223 0.390 0.000 2.436 316 L HA 0.545 4.882 4.340 -0.004 0.000 0.268 316 L C -0.237 176.831 176.870 0.330 0.000 0.974 316 L CA -1.065 53.959 54.840 0.307 0.000 0.826 316 L CB 1.373 43.589 42.059 0.261 0.000 1.291 316 L HN 0.405 nan 8.230 nan 0.000 0.406 317 R N 2.490 123.145 120.500 0.258 0.000 2.694 317 R HA 0.194 4.531 4.340 -0.004 0.000 0.268 317 R C 1.012 177.372 176.300 0.100 0.000 1.061 317 R CA -0.070 56.127 56.100 0.163 0.000 1.133 317 R CB 0.553 30.939 30.300 0.143 0.000 1.020 317 R HN 0.669 nan 8.270 nan 0.000 0.475 318 R N 1.435 121.899 120.500 -0.060 0.000 2.139 318 R HA -0.095 4.243 4.340 -0.004 0.000 0.243 318 R C 0.407 176.755 176.300 0.081 0.000 1.145 318 R CA 1.204 57.245 56.100 -0.098 0.000 0.976 318 R CB 0.159 30.368 30.300 -0.151 0.000 0.866 318 R HN 0.385 nan 8.270 nan 0.000 0.449 319 I N 2.861 123.468 120.570 0.061 0.000 2.278 319 I HA 0.010 4.178 4.170 -0.004 0.000 0.296 319 I C 0.209 176.388 176.117 0.104 0.000 1.121 319 I CA 0.319 61.658 61.300 0.065 0.000 1.267 319 I CB 0.908 38.931 38.000 0.038 0.000 1.447 319 I HN 0.291 nan 8.210 nan 0.000 0.509 320 Q N 4.524 124.386 119.800 0.103 0.000 2.294 320 Q HA -0.083 4.255 4.340 -0.004 0.000 0.207 320 Q C 0.581 176.662 176.000 0.134 0.000 0.887 320 Q CA 0.176 56.051 55.803 0.120 0.000 0.987 320 Q CB -0.378 28.387 28.738 0.045 0.000 1.101 320 Q HN 0.611 nan 8.270 nan 0.000 0.447 321 N N -0.767 118.016 118.700 0.138 0.000 2.235 321 N HA -0.017 4.720 4.740 -0.004 0.000 0.231 321 N C -1.155 174.473 175.510 0.198 0.000 1.177 321 N CA -0.263 52.861 53.050 0.123 0.000 0.874 321 N CB 0.328 38.862 38.487 0.079 0.000 1.097 321 N HN 0.202 nan 8.380 nan 0.000 0.518 322 Y N 1.017 121.343 120.300 0.044 0.000 2.358 322 Y HA 0.490 5.038 4.550 -0.004 0.000 0.324 322 Y C -1.392 174.545 175.900 0.060 0.000 1.123 322 Y CA -0.746 57.379 58.100 0.041 0.000 1.067 322 Y CB 1.466 39.942 38.460 0.027 0.000 1.230 322 Y HN 0.176 nan 8.280 nan 0.000 0.429 323 S N 4.310 119.878 115.700 -0.220 0.000 2.549 323 S HA 0.899 5.367 4.470 -0.004 0.000 0.280 323 S C -1.996 172.483 174.600 -0.201 0.000 1.109 323 S CA -0.758 57.390 58.200 -0.087 0.000 0.905 323 S CB 1.849 65.040 63.200 -0.016 0.000 1.081 323 S HN 0.458 nan 8.310 nan 0.000 0.477 324 V N 3.498 123.390 119.914 -0.037 0.000 2.604 324 V HA 0.573 4.691 4.120 -0.004 0.000 0.305 324 V C -0.405 175.724 176.094 0.058 0.000 1.043 324 V CA -0.667 61.619 62.300 -0.023 0.000 0.888 324 V CB 1.835 33.667 31.823 0.016 0.000 0.995 324 V HN 1.024 nan 8.190 nan 0.000 0.429 325 M N 3.853 123.458 119.600 0.008 0.000 2.167 325 M HA 0.514 4.992 4.480 -0.004 0.000 0.333 325 M C -1.448 174.868 176.300 0.027 0.000 1.030 325 M CA -0.370 54.916 55.300 -0.024 0.000 0.963 325 M CB 1.245 33.764 32.600 -0.135 0.000 1.589 325 M HN 0.606 nan 8.290 nan 0.000 0.431 326 D N 5.091 125.507 120.400 0.026 0.000 2.181 326 D HA 0.562 5.200 4.640 -0.004 0.000 0.248 326 D C -0.898 175.385 176.300 -0.027 0.000 1.020 326 D CA -0.041 53.974 54.000 0.025 0.000 0.891 326 D CB 1.988 42.823 40.800 0.058 0.000 1.187 326 D HN 0.610 nan 8.370 nan 0.000 0.443 327 I N 1.937 122.516 120.570 0.014 0.000 2.439 327 I HA 0.277 4.445 4.170 -0.004 0.000 0.285 327 I C -0.699 175.435 176.117 0.028 0.000 1.021 327 I CA -0.592 60.712 61.300 0.007 0.000 1.091 327 I CB 1.406 39.466 38.000 0.101 0.000 1.242 327 I HN 0.184 nan 8.210 nan 0.000 0.439 328 c N 3.643 122.254 118.600 0.019 0.000 2.417 328 c HA 0.580 5.147 4.570 -0.004 0.000 0.324 328 c C -0.382 173.876 174.090 0.279 0.000 1.240 328 c CA -0.804 55.608 56.329 0.137 0.000 1.632 328 c CB 1.144 43.747 42.510 0.155 0.000 2.241 328 c HN 0.574 nan 8.230 nan 0.000 0.499 329 D N 0.278 120.806 120.400 0.214 0.000 2.198 329 D HA 0.337 4.975 4.640 -0.004 0.000 0.247 329 D C -0.626 175.577 176.300 -0.161 0.000 1.010 329 D CA -0.220 53.847 54.000 0.112 0.000 0.880 329 D CB 0.840 41.660 40.800 0.034 0.000 1.209 329 D HN 0.578 nan 8.370 nan 0.000 0.451 330 Y N 1.193 121.073 120.300 -0.702 0.000 2.359 330 Y HA 0.237 4.785 4.550 -0.004 0.000 0.330 330 Y C -0.228 175.367 175.900 -0.508 0.000 1.143 330 Y CA -0.284 57.093 58.100 -1.204 0.000 1.318 330 Y CB 0.808 38.551 38.460 -1.196 0.000 1.234 330 Y HN 0.150 nan 8.280 nan 0.000 0.522 331 D N 4.823 124.564 120.400 -1.098 0.000 2.460 331 D HA 0.112 4.750 4.640 -0.004 0.000 0.232 331 D C 0.544 176.246 176.300 -0.997 0.000 1.079 331 D CA -0.189 53.372 54.000 -0.732 0.000 0.864 331 D CB 0.793 41.337 40.800 -0.428 0.000 1.048 331 D HN 0.821 nan 8.370 nan 0.000 0.523 332 E N 1.601 121.358 120.200 -0.739 0.000 2.396 332 E HA -0.163 4.185 4.350 -0.004 0.000 0.200 332 E C 1.363 177.822 176.600 -0.236 0.000 1.023 332 E CA 0.782 56.925 56.400 -0.428 0.000 0.857 332 E CB 0.371 30.011 29.700 -0.100 0.000 0.775 332 E HN 0.361 nan 8.360 nan 0.000 0.525 333 S N -0.951 114.608 115.700 -0.235 0.000 2.421 333 S HA -0.051 4.417 4.470 -0.004 0.000 0.224 333 S C 1.827 176.357 174.600 -0.117 0.000 1.035 333 S CA 1.024 59.145 58.200 -0.132 0.000 0.953 333 S CB 0.048 63.184 63.200 -0.106 0.000 0.810 333 S HN 0.297 nan 8.310 nan 0.000 0.497 334 S N -0.710 114.891 115.700 -0.165 0.000 2.523 334 S HA 0.427 4.895 4.470 -0.004 0.000 0.217 334 S C 1.495 176.040 174.600 -0.091 0.000 0.996 334 S CA 0.658 58.795 58.200 -0.105 0.000 0.921 334 S CB -0.076 63.066 63.200 -0.095 0.000 0.829 334 S HN 1.332 nan 8.310 nan 0.000 0.495 335 G N 2.070 110.756 108.800 -0.189 0.000 2.203 335 G HA2 -0.249 3.708 3.960 -0.004 0.000 0.263 335 G HA3 -0.249 3.708 3.960 -0.004 0.000 0.263 335 G C 0.116 175.039 174.900 0.038 0.000 1.012 335 G CA 0.308 45.392 45.100 -0.027 0.000 0.749 335 G HN 0.513 nan 8.290 nan 0.000 0.512 336 R N -1.744 118.667 120.500 -0.149 0.000 2.797 336 R HA 0.675 5.013 4.340 -0.004 0.000 0.251 336 R C -0.757 175.451 176.300 -0.153 0.000 1.107 336 R CA -0.973 55.119 56.100 -0.013 0.000 1.084 336 R CB 0.668 30.972 30.300 0.006 0.000 1.205 336 R HN 0.181 nan 8.270 nan 0.000 0.515 337 W N 0.462 121.787 121.300 0.042 0.000 2.532 337 W HA 0.420 5.078 4.660 -0.004 0.000 0.321 337 W C -0.270 176.244 176.519 -0.008 0.000 1.037 337 W CA -0.350 57.012 57.345 0.029 0.000 1.220 337 W CB 1.115 30.592 29.460 0.027 0.000 1.361 337 W HN 0.388 nan 8.180 nan 0.000 0.468 338 N N 2.201 120.991 118.700 0.150 0.000 2.284 338 N HA 0.572 5.310 4.740 -0.004 0.000 0.300 338 N C -1.558 174.003 175.510 0.084 0.000 1.047 338 N CA -0.740 52.358 53.050 0.080 0.000 0.821 338 N CB 1.401 39.892 38.487 0.008 0.000 1.337 338 N HN 0.181 nan 8.380 nan 0.000 0.482 339 c N 2.818 121.451 118.600 0.056 0.000 2.294 339 c HA 0.388 4.955 4.570 -0.004 0.000 0.319 339 c C 0.346 174.445 174.090 0.015 0.000 1.164 339 c CA -1.136 55.217 56.329 0.040 0.000 1.497 339 c CB -1.274 41.253 42.510 0.029 0.000 2.061 339 c HN 0.606 nan 8.230 nan 0.000 0.438 340 L N 2.600 123.833 121.223 0.017 0.000 2.455 340 L HA 0.063 4.401 4.340 -0.004 0.000 0.272 340 L C 1.674 178.538 176.870 -0.010 0.000 1.174 340 L CA 0.212 55.053 54.840 0.002 0.000 0.869 340 L CB 0.578 42.642 42.059 0.007 0.000 1.130 340 L HN 0.663 nan 8.230 nan 0.000 0.474 341 V N 4.275 124.174 119.914 -0.025 0.000 2.568 341 V HA -0.281 3.836 4.120 -0.004 0.000 0.253 341 V C 2.262 178.322 176.094 -0.056 0.000 1.072 341 V CA 2.180 64.456 62.300 -0.041 0.000 1.084 341 V CB -0.097 31.701 31.823 -0.041 0.000 0.676 341 V HN 0.997 nan 8.190 nan 0.000 0.469 342 A N -0.098 122.696 122.820 -0.042 0.000 2.178 342 A HA -0.090 4.228 4.320 -0.004 0.000 0.218 342 A C 2.125 179.669 177.584 -0.067 0.000 1.157 342 A CA 1.467 53.474 52.037 -0.051 0.000 0.689 342 A CB -0.423 18.562 19.000 -0.026 0.000 0.787 342 A HN 0.674 nan 8.150 nan 0.000 0.465 343 R N -1.041 119.433 120.500 -0.043 0.000 2.509 343 R HA 0.175 4.513 4.340 -0.004 0.000 0.300 343 R C 0.378 176.664 176.300 -0.023 0.000 0.985 343 R CA -0.175 55.933 56.100 0.014 0.000 1.092 343 R CB 0.298 30.661 30.300 0.104 0.000 1.237 343 R HN 0.597 nan 8.270 nan 0.000 0.546 344 Q N 0.871 120.585 119.800 -0.145 0.000 2.261 344 Q HA 0.140 4.478 4.340 -0.004 0.000 0.252 344 Q C -1.141 174.681 176.000 -0.296 0.000 0.915 344 Q CA -0.294 55.447 55.803 -0.104 0.000 0.915 344 Q CB 0.753 29.446 28.738 -0.075 0.000 1.204 344 Q HN 0.216 nan 8.270 nan 0.000 0.421 345 H N 2.684 121.730 119.070 -0.039 0.000 2.529 345 H HA 0.440 4.994 4.556 -0.004 0.000 0.348 345 H C -0.801 174.473 175.328 -0.089 0.000 1.079 345 H CA -0.488 55.532 56.048 -0.047 0.000 1.198 345 H CB 1.254 30.958 29.762 -0.097 0.000 1.521 345 H HN 0.523 nan 8.280 nan 0.000 0.514 346 I N 1.933 122.504 120.570 0.002 0.000 2.392 346 I HA 0.265 4.433 4.170 -0.004 0.000 0.295 346 I C -0.056 176.002 176.117 -0.098 0.000 0.985 346 I CA -0.304 60.916 61.300 -0.134 0.000 1.221 346 I CB 1.451 39.355 38.000 -0.159 0.000 1.366 346 I HN 0.558 nan 8.210 nan 0.000 0.467 347 E N 8.073 128.159 120.200 -0.190 0.000 2.244 347 E HA 0.552 4.900 4.350 -0.004 0.000 0.260 347 E C -1.164 175.347 176.600 -0.150 0.000 0.884 347 E CA -0.652 55.691 56.400 -0.095 0.000 0.777 347 E CB 1.434 31.106 29.700 -0.047 0.000 1.197 347 E HN 0.625 nan 8.360 nan 0.000 0.416 348 M N 1.146 120.705 119.600 -0.068 0.000 2.719 348 M HA 0.687 5.165 4.480 -0.004 0.000 0.291 348 M C -1.046 175.268 176.300 0.022 0.000 1.264 348 M CA -0.957 54.339 55.300 -0.007 0.000 0.811 348 M CB 2.279 34.928 32.600 0.083 0.000 1.756 348 M HN 0.251 nan 8.290 nan 0.000 0.464 349 S N -0.594 115.126 115.700 0.033 0.000 2.575 349 S HA 0.524 4.992 4.470 -0.004 0.000 0.278 349 S C 0.117 174.715 174.600 -0.003 0.000 1.139 349 S CA 0.010 58.208 58.200 -0.003 0.000 0.954 349 S CB 1.770 64.934 63.200 -0.060 0.000 1.054 349 S HN 0.917 nan 8.310 nan 0.000 0.483 350 T N 0.091 114.642 114.554 -0.005 0.000 3.037 350 T HA 0.056 4.403 4.350 -0.004 0.000 0.252 350 T C 1.595 176.280 174.700 -0.025 0.000 1.073 350 T CA 1.007 63.105 62.100 -0.004 0.000 1.091 350 T CB -0.442 68.430 68.868 0.006 0.000 0.935 350 T HN 0.694 nan 8.240 nan 0.000 0.488 351 T N -1.751 112.783 114.554 -0.034 0.000 3.037 351 T HA 0.582 4.930 4.350 -0.004 0.000 0.252 351 T C 1.160 175.721 174.700 -0.232 0.000 1.073 351 T CA 0.395 62.478 62.100 -0.028 0.000 1.091 351 T CB 0.285 69.205 68.868 0.086 0.000 0.935 351 T HN 0.598 nan 8.240 nan 0.000 0.488 352 G N 0.297 108.782 108.800 -0.525 0.000 2.791 352 G HA2 0.498 4.456 3.960 -0.004 0.000 0.158 352 G HA3 0.498 4.456 3.960 -0.004 0.000 0.158 352 G C -1.586 173.033 174.900 -0.469 0.000 1.193 352 G CA -0.623 43.901 45.100 -0.960 0.000 1.032 352 G HN 0.494 nan 8.290 nan 0.000 0.557 353 W N -0.305 120.719 121.300 -0.461 0.000 2.353 353 W HA 0.770 5.428 4.660 -0.004 0.000 0.377 353 W C -0.414 176.042 176.519 -0.105 0.000 1.375 353 W CA -1.297 55.912 57.345 -0.226 0.000 1.503 353 W CB 0.653 29.953 29.460 -0.266 0.000 1.345 353 W HN 0.260 nan 8.180 nan 0.000 0.683 354 V N 2.835 122.829 119.914 0.134 0.000 2.439 354 V HA 0.675 4.793 4.120 -0.004 0.000 0.282 354 V C 0.769 176.945 176.094 0.137 0.000 1.039 354 V CA 0.480 62.814 62.300 0.057 0.000 0.913 354 V CB 0.114 31.971 31.823 0.058 0.000 0.983 354 V HN 1.251 nan 8.190 nan 0.000 0.460 355 G N 5.246 114.079 108.800 0.054 0.000 2.814 355 G HA2 -0.190 3.767 3.960 -0.004 0.000 0.677 355 G HA3 -0.190 3.767 3.960 -0.004 0.000 0.677 355 G C 0.385 175.388 174.900 0.172 0.000 1.429 355 G CA 0.154 45.316 45.100 0.103 0.000 0.868 355 G HN 0.656 nan 8.290 nan 0.000 0.553 356 R N -0.618 119.974 120.500 0.154 0.000 2.066 356 R HA 0.065 4.403 4.340 -0.004 0.000 0.232 356 R C 1.799 178.112 176.300 0.022 0.000 1.131 356 R CA 2.187 58.344 56.100 0.096 0.000 0.955 356 R CB -0.089 30.276 30.300 0.108 0.000 0.851 356 R HN 0.489 nan 8.270 nan 0.000 0.432 357 F N -0.907 119.189 119.950 0.244 0.000 2.871 357 F HA 0.259 4.784 4.527 -0.003 0.000 0.344 357 F C -0.001 175.820 175.800 0.035 0.000 1.078 357 F CA -0.501 57.575 58.000 0.127 0.000 1.149 357 F CB 0.827 39.894 39.000 0.111 0.000 1.087 357 F HN -0.087 nan 8.300 nan 0.000 0.557 358 R N -1.959 118.674 120.500 0.222 0.000 3.176 358 R HA 0.305 4.643 4.340 -0.004 0.000 0.284 358 R C -3.394 172.957 176.300 0.085 0.000 0.985 358 R CA -1.715 54.443 56.100 0.095 0.000 0.853 358 R CB -0.412 29.887 30.300 -0.003 0.000 1.309 358 R HN -0.363 nan 8.270 nan 0.000 0.528 359 P HA -0.023 nan 4.420 nan 0.000 0.264 359 P C -0.280 177.028 177.300 0.013 0.000 1.183 359 P CA 0.185 63.294 63.100 0.015 0.000 0.763 359 P CB 0.674 32.357 31.700 -0.029 0.000 0.807 360 S N 1.956 117.678 115.700 0.036 0.000 2.600 360 S HA 0.163 4.631 4.470 -0.004 0.000 0.265 360 S C 0.206 174.811 174.600 0.009 0.000 1.325 360 S CA -0.717 57.519 58.200 0.059 0.000 1.002 360 S CB 0.377 63.638 63.200 0.102 0.000 0.921 360 S HN 0.508 nan 8.310 nan 0.000 0.554 361 E N 1.279 121.500 120.200 0.035 0.000 2.283 361 E HA 0.400 4.748 4.350 -0.004 0.000 0.278 361 E C -2.765 173.796 176.600 -0.065 0.000 1.027 361 E CA -2.374 53.998 56.400 -0.047 0.000 0.843 361 E CB 0.297 29.969 29.700 -0.046 0.000 1.062 361 E HN 0.453 nan 8.360 nan 0.000 0.401 362 P HA 0.263 nan 4.420 nan 0.000 0.282 362 P C -0.730 176.432 177.300 -0.230 0.000 1.259 362 P CA -0.409 62.534 63.100 -0.261 0.000 0.826 362 P CB 0.923 32.132 31.700 -0.818 0.000 1.064 363 H N 1.536 120.621 119.070 0.025 0.000 2.860 363 H HA 0.295 4.849 4.556 -0.004 0.000 0.312 363 H C -0.350 175.122 175.328 0.241 0.000 0.995 363 H CA -0.301 55.861 56.048 0.190 0.000 1.311 363 H CB 0.330 30.225 29.762 0.223 0.000 1.478 363 H HN 0.294 nan 8.280 nan 0.000 0.508 364 F N 1.759 121.901 119.950 0.320 0.000 2.382 364 F HA 0.089 4.614 4.527 -0.004 0.000 0.331 364 F C 1.593 177.596 175.800 0.338 0.000 1.121 364 F CA -0.421 57.781 58.000 0.335 0.000 1.183 364 F CB 0.966 40.096 39.000 0.216 0.000 1.207 364 F HN 0.340 nan 8.300 nan 0.000 0.555 365 T N 0.447 115.316 114.554 0.525 0.000 2.868 365 T HA 0.164 4.512 4.350 -0.004 0.000 0.292 365 T C 1.112 176.011 174.700 0.331 0.000 1.028 365 T CA -0.817 61.525 62.100 0.404 0.000 1.059 365 T CB 0.927 70.019 68.868 0.374 0.000 0.991 365 T HN 0.584 nan 8.240 nan 0.000 0.531 366 L N 1.584 122.955 121.223 0.246 0.000 2.034 366 L HA -0.183 4.155 4.340 -0.004 0.000 0.217 366 L C 2.129 179.108 176.870 0.182 0.000 1.077 366 L CA 2.636 57.592 54.840 0.194 0.000 0.769 366 L CB -1.069 41.078 42.059 0.148 0.000 0.890 366 L HN 0.979 nan 8.230 nan 0.000 0.435 367 D N -1.322 119.186 120.400 0.180 0.000 2.378 367 D HA 0.042 4.680 4.640 -0.004 0.000 0.227 367 D C 1.638 178.045 176.300 0.178 0.000 1.012 367 D CA 0.796 54.891 54.000 0.158 0.000 0.905 367 D CB -0.696 40.188 40.800 0.139 0.000 0.895 367 D HN 0.511 nan 8.370 nan 0.000 0.532 368 G N 0.619 109.563 108.800 0.240 0.000 2.166 368 G HA2 -0.367 3.591 3.960 -0.004 0.000 0.260 368 G HA3 -0.367 3.591 3.960 -0.004 0.000 0.260 368 G C 0.939 176.040 174.900 0.335 0.000 0.986 368 G CA 0.468 45.728 45.100 0.268 0.000 0.683 368 G HN 0.416 nan 8.290 nan 0.000 0.527 369 N N 0.078 118.948 118.700 0.282 0.000 2.353 369 N HA 0.155 4.893 4.740 -0.004 0.000 0.185 369 N C 0.973 176.601 175.510 0.198 0.000 1.098 369 N CA 1.143 54.327 53.050 0.224 0.000 0.872 369 N CB 0.443 39.016 38.487 0.143 0.000 0.970 369 N HN 0.867 nan 8.380 nan 0.000 0.467 370 S N -0.314 115.531 115.700 0.242 0.000 2.607 370 S HA 0.777 5.245 4.470 -0.004 0.000 0.273 370 S C -0.949 173.696 174.600 0.075 0.000 1.148 370 S CA -0.958 57.234 58.200 -0.013 0.000 0.833 370 S CB 1.886 64.983 63.200 -0.173 0.000 1.130 370 S HN 0.127 nan 8.310 nan 0.000 0.470 371 F N -1.995 117.763 119.950 -0.319 0.000 2.693 371 F HA 0.814 5.339 4.527 -0.004 0.000 0.309 371 F C -2.205 173.421 175.800 -0.291 0.000 1.129 371 F CA -1.539 56.241 58.000 -0.366 0.000 0.948 371 F CB 0.519 38.909 39.000 -1.018 0.000 1.315 371 F HN 0.597 nan 8.300 nan 0.000 0.447 372 Y N 1.166 121.637 120.300 0.285 0.000 2.446 372 Y HA 0.733 5.281 4.550 -0.004 0.000 0.338 372 Y C -0.174 175.912 175.900 0.309 0.000 1.055 372 Y CA -0.923 57.322 58.100 0.242 0.000 1.101 372 Y CB 2.126 40.669 38.460 0.138 0.000 1.221 372 Y HN 0.774 nan 8.280 nan 0.000 0.460 373 K N 2.148 122.785 120.400 0.395 0.000 2.546 373 K HA 0.558 4.876 4.320 -0.004 0.000 0.264 373 K C -1.904 174.841 176.600 0.242 0.000 0.937 373 K CA -0.547 55.932 56.287 0.320 0.000 0.833 373 K CB 1.659 34.340 32.500 0.302 0.000 1.378 373 K HN 0.717 nan 8.250 nan 0.000 0.432 374 I N 6.035 126.721 120.570 0.192 0.000 2.352 374 I HA 0.342 4.510 4.170 -0.004 0.000 0.290 374 I C 0.032 176.242 176.117 0.156 0.000 1.036 374 I CA -0.515 60.875 61.300 0.150 0.000 1.336 374 I CB 0.567 38.634 38.000 0.112 0.000 1.407 374 I HN 0.493 nan 8.210 nan 0.000 0.497 375 I N 2.417 123.107 120.570 0.199 0.000 2.994 375 I HA 0.527 4.695 4.170 -0.004 0.000 0.306 375 I C -0.173 176.062 176.117 0.197 0.000 1.195 375 I CA -0.814 60.600 61.300 0.190 0.000 1.001 375 I CB 2.254 40.389 38.000 0.225 0.000 1.244 375 I HN 0.485 nan 8.210 nan 0.000 0.437 376 S N 2.453 118.206 115.700 0.088 0.000 2.523 376 S HA 0.345 4.813 4.470 -0.004 0.000 0.275 376 S C -0.056 174.563 174.600 0.031 0.000 1.281 376 S CA -0.587 57.609 58.200 -0.008 0.000 1.050 376 S CB 0.434 63.563 63.200 -0.119 0.000 0.937 376 S HN 0.821 nan 8.310 nan 0.000 0.492 377 N N 2.806 121.415 118.700 -0.151 0.000 2.332 377 N HA 0.171 4.909 4.740 -0.004 0.000 0.282 377 N C 0.754 176.172 175.510 -0.153 0.000 1.288 377 N CA -0.506 52.341 53.050 -0.338 0.000 0.949 377 N CB -0.176 37.736 38.487 -0.959 0.000 1.108 377 N HN 0.639 nan 8.380 nan 0.000 0.542 378 E N -0.539 119.571 120.200 -0.150 0.000 2.265 378 E HA -0.142 4.206 4.350 -0.004 0.000 0.196 378 E C 0.722 177.273 176.600 -0.082 0.000 0.996 378 E CA 0.912 57.264 56.400 -0.080 0.000 0.832 378 E CB -0.138 29.523 29.700 -0.066 0.000 0.756 378 E HN 0.606 nan 8.360 nan 0.000 0.491 379 E N -0.397 119.748 120.200 -0.091 0.000 2.442 379 E HA 0.025 4.373 4.350 -0.004 0.000 0.195 379 E C 1.118 177.699 176.600 -0.031 0.000 1.030 379 E CA 0.627 57.020 56.400 -0.012 0.000 0.869 379 E CB 0.523 30.256 29.700 0.054 0.000 0.857 379 E HN 0.381 nan 8.360 nan 0.000 0.505 380 G N 0.871 109.597 108.800 -0.122 0.000 2.141 380 G HA2 -0.265 3.693 3.960 -0.004 0.000 0.231 380 G HA3 -0.265 3.693 3.960 -0.004 0.000 0.231 380 G C -0.238 174.407 174.900 -0.424 0.000 0.984 380 G CA 0.013 44.943 45.100 -0.284 0.000 0.660 380 G HN 0.186 nan 8.290 nan 0.000 0.525 381 Y N 0.342 120.506 120.300 -0.226 0.000 2.361 381 Y HA 0.658 5.206 4.550 -0.004 0.000 0.332 381 Y C 1.170 176.904 175.900 -0.277 0.000 1.101 381 Y CA -0.893 57.055 58.100 -0.252 0.000 1.137 381 Y CB 1.028 39.342 38.460 -0.243 0.000 1.207 381 Y HN 0.065 nan 8.280 nan 0.000 0.463 382 R N 3.465 123.839 120.500 -0.210 0.000 2.248 382 R HA 0.299 4.637 4.340 -0.004 0.000 0.328 382 R C -0.811 175.201 176.300 -0.478 0.000 1.067 382 R CA -0.199 55.775 56.100 -0.211 0.000 0.924 382 R CB 0.194 30.420 30.300 -0.123 0.000 1.013 382 R HN 0.660 nan 8.270 nan 0.000 0.454 383 H N 1.615 120.650 119.070 -0.058 0.000 2.949 383 H HA 0.357 4.910 4.556 -0.004 0.000 0.356 383 H C -0.138 175.246 175.328 0.094 0.000 1.212 383 H CA -0.956 55.039 56.048 -0.089 0.000 1.136 383 H CB 1.660 31.270 29.762 -0.253 0.000 1.869 383 H HN 0.317 nan 8.280 nan 0.000 0.556 384 I N 1.206 121.861 120.570 0.141 0.000 2.416 384 I HA 0.056 4.224 4.170 -0.004 0.000 0.288 384 I C 0.335 176.503 176.117 0.085 0.000 1.051 384 I CA 0.093 61.446 61.300 0.088 0.000 1.375 384 I CB 0.418 38.388 38.000 -0.050 0.000 1.407 384 I HN 0.134 nan 8.210 nan 0.000 0.516 385 c N 7.099 125.678 118.600 -0.035 0.000 2.382 385 c HA 0.410 4.977 4.570 -0.004 0.000 0.327 385 c C -0.409 173.521 174.090 -0.266 0.000 1.250 385 c CA -0.500 55.573 56.329 -0.427 0.000 1.707 385 c CB 0.819 42.809 42.510 -0.868 0.000 2.272 385 c HN 0.632 nan 8.230 nan 0.000 0.506 386 Y N 4.853 124.817 120.300 -0.559 0.000 2.367 386 Y HA 0.615 5.163 4.550 -0.004 0.000 0.342 386 Y C -0.919 174.538 175.900 -0.737 0.000 0.979 386 Y CA -0.860 56.866 58.100 -0.624 0.000 1.161 386 Y CB 0.136 38.319 38.460 -0.463 0.000 1.155 386 Y HN 0.623 nan 8.280 nan 0.000 0.503 387 F N 3.919 123.169 119.950 -1.165 0.000 2.450 387 F HA 0.413 4.938 4.527 -0.004 0.000 0.332 387 F C -0.009 175.036 175.800 -1.258 0.000 1.093 387 F CA -0.820 56.420 58.000 -1.266 0.000 1.003 387 F CB 1.534 39.386 39.000 -1.913 0.000 1.151 387 F HN 0.312 nan 8.300 nan 0.000 0.474 388 Q N 2.487 121.950 119.800 -0.562 0.000 2.257 388 Q HA 0.334 4.672 4.340 -0.004 0.000 0.255 388 Q C 0.890 176.836 176.000 -0.089 0.000 0.920 388 Q CA -0.228 55.363 55.803 -0.353 0.000 0.927 388 Q CB 1.368 29.966 28.738 -0.234 0.000 1.229 388 Q HN 0.689 nan 8.270 nan 0.000 0.433 389 I N -0.277 120.326 120.570 0.056 0.000 2.530 389 I HA -0.106 4.062 4.170 -0.004 0.000 0.257 389 I C 0.463 176.777 176.117 0.328 0.000 1.179 389 I CA 1.458 62.943 61.300 0.309 0.000 1.440 389 I CB -0.019 38.194 38.000 0.355 0.000 1.087 389 I HN 0.460 nan 8.210 nan 0.000 0.440 390 D N 0.879 121.374 120.400 0.158 0.000 2.593 390 D HA 0.224 4.862 4.640 -0.004 0.000 0.241 390 D C -0.177 176.141 176.300 0.030 0.000 1.257 390 D CA -0.334 53.714 54.000 0.079 0.000 0.828 390 D CB 0.152 40.981 40.800 0.049 0.000 1.049 390 D HN 0.400 nan 8.370 nan 0.000 0.490 391 K N 0.478 120.918 120.400 0.066 0.000 2.471 391 K HA 0.261 4.579 4.320 -0.004 0.000 0.252 391 K C 0.502 177.148 176.600 0.077 0.000 0.938 391 K CA -0.806 55.490 56.287 0.015 0.000 0.796 391 K CB 2.274 34.751 32.500 -0.038 0.000 1.161 391 K HN -0.324 nan 8.250 nan 0.000 0.425 392 K N 0.591 120.994 120.400 0.005 0.000 2.217 392 K HA 0.015 4.333 4.320 -0.004 0.000 0.202 392 K C -0.004 176.633 176.600 0.063 0.000 1.051 392 K CA 1.023 57.339 56.287 0.049 0.000 0.952 392 K CB 0.128 32.611 32.500 -0.028 0.000 0.736 392 K HN 0.576 nan 8.250 nan 0.000 0.453 393 D N 1.561 121.931 120.400 -0.051 0.000 2.316 393 D HA 0.052 4.689 4.640 -0.004 0.000 0.245 393 D C 0.307 176.406 176.300 -0.335 0.000 1.171 393 D CA -0.094 53.813 54.000 -0.154 0.000 0.856 393 D CB 1.103 41.831 40.800 -0.120 0.000 1.090 393 D HN 0.158 nan 8.370 nan 0.000 0.476 394 c N 1.351 119.584 118.600 -0.612 0.000 2.328 394 c HA 0.766 5.334 4.570 -0.004 0.000 0.378 394 c C 0.351 174.042 174.090 -0.666 0.000 1.249 394 c CA -0.504 55.243 56.329 -0.969 0.000 2.204 394 c CB 1.024 42.316 42.510 -2.030 0.000 2.218 394 c HN 0.469 nan 8.230 nan 0.000 0.564 395 T N 1.435 115.625 114.554 -0.606 0.000 2.840 395 T HA 0.486 4.834 4.350 -0.004 0.000 0.287 395 T C -0.823 173.642 174.700 -0.391 0.000 0.991 395 T CA 0.133 62.023 62.100 -0.349 0.000 0.964 395 T CB 0.505 69.312 68.868 -0.103 0.000 0.954 395 T HN 0.479 nan 8.240 nan 0.000 0.438 396 F N 3.198 123.034 119.950 -0.190 0.000 2.456 396 F HA 0.295 4.820 4.527 -0.004 0.000 0.358 396 F C 1.654 177.301 175.800 -0.256 0.000 1.095 396 F CA -0.927 56.949 58.000 -0.208 0.000 1.216 396 F CB 0.514 39.392 39.000 -0.204 0.000 1.125 396 F HN 0.582 nan 8.300 nan 0.000 0.549 397 I N -0.756 119.716 120.570 -0.163 0.000 4.057 397 I HA 0.241 4.409 4.170 -0.004 0.000 0.334 397 I C 0.150 176.118 176.117 -0.247 0.000 1.308 397 I CA 0.096 61.125 61.300 -0.451 0.000 1.125 397 I CB 0.012 37.442 38.000 -0.950 0.000 1.034 397 I HN 0.500 nan 8.210 nan 0.000 0.401 398 T N 0.087 114.544 114.554 -0.161 0.000 2.883 398 T HA 0.723 5.071 4.350 -0.004 0.000 0.296 398 T C -0.703 173.630 174.700 -0.612 0.000 1.117 398 T CA -0.677 61.313 62.100 -0.182 0.000 1.006 398 T CB 2.733 71.589 68.868 -0.020 0.000 1.191 398 T HN 0.503 nan 8.240 nan 0.000 0.508 399 K N -0.543 119.300 120.400 -0.928 0.000 2.642 399 K HA 0.725 5.043 4.320 -0.004 0.000 0.290 399 K C -0.574 175.361 176.600 -1.108 0.000 1.006 399 K CA -0.761 54.635 56.287 -1.484 0.000 0.869 399 K CB 1.168 33.220 32.500 -0.748 0.000 1.499 399 K HN 1.699 nan 8.250 nan 0.000 0.403 400 G N -0.040 108.146 108.800 -1.024 0.000 2.339 400 G HA2 0.107 4.064 3.960 -0.004 0.000 0.381 400 G HA3 0.107 4.064 3.960 -0.004 0.000 0.381 400 G C -0.704 173.624 174.900 -0.953 0.000 1.400 400 G CA -0.371 44.303 45.100 -0.710 0.000 1.002 400 G HN 1.088 nan 8.290 nan 0.000 0.633 401 T N -0.292 113.866 114.554 -0.659 0.000 4.309 401 T HA 0.541 4.889 4.350 -0.004 0.000 0.242 401 T C 0.260 174.723 174.700 -0.394 0.000 1.142 401 T CA 0.638 62.146 62.100 -0.986 0.000 1.042 401 T CB -0.995 67.591 68.868 -0.470 0.000 1.366 401 T HN 1.533 nan 8.240 nan 0.000 0.942 402 W N -0.302 120.795 121.300 -0.339 0.000 2.881 402 W HA 0.622 5.280 4.660 -0.004 0.000 0.380 402 W C -1.507 175.014 176.519 0.002 0.000 1.170 402 W CA -0.981 56.347 57.345 -0.027 0.000 1.171 402 W CB 0.583 30.017 29.460 -0.042 0.000 1.464 402 W HN 0.222 nan 8.180 nan 0.000 0.574 403 E N 0.676 121.055 120.200 0.299 0.000 2.367 403 E HA 0.469 4.816 4.350 -0.004 0.000 0.273 403 E C -1.203 175.495 176.600 0.164 0.000 0.903 403 E CA -1.172 55.201 56.400 -0.045 0.000 0.764 403 E CB 3.309 33.021 29.700 0.021 0.000 1.252 403 E HN 0.160 nan 8.360 nan 0.000 0.446 404 V N 3.313 123.191 119.914 -0.060 0.000 2.530 404 V HA 0.022 4.140 4.120 -0.004 0.000 0.282 404 V C 1.184 177.358 176.094 0.133 0.000 1.048 404 V CA -0.064 62.296 62.300 0.100 0.000 0.997 404 V CB 0.654 32.429 31.823 -0.079 0.000 0.987 404 V HN 0.690 nan 8.190 nan 0.000 0.477 405 I N 2.950 123.631 120.570 0.184 0.000 2.400 405 I HA 0.248 4.416 4.170 -0.004 0.000 0.248 405 I C 1.111 177.339 176.117 0.184 0.000 1.109 405 I CA 1.263 62.666 61.300 0.172 0.000 1.425 405 I CB -0.724 37.325 38.000 0.081 0.000 1.094 405 I HN 0.764 nan 8.210 nan 0.000 0.425 406 G N 0.514 109.425 108.800 0.185 0.000 2.601 406 G HA2 0.546 4.504 3.960 -0.004 0.000 0.291 406 G HA3 0.546 4.504 3.960 -0.004 0.000 0.291 406 G C -1.392 173.602 174.900 0.158 0.000 1.456 406 G CA -0.558 44.648 45.100 0.177 0.000 0.804 406 G HN -0.048 nan 8.290 nan 0.000 0.499 407 I N 1.295 121.905 120.570 0.067 0.000 2.331 407 I HA 0.290 4.458 4.170 -0.004 0.000 0.292 407 I C 0.569 176.645 176.117 -0.069 0.000 0.998 407 I CA -0.630 60.603 61.300 -0.112 0.000 1.267 407 I CB 1.926 39.577 38.000 -0.583 0.000 1.386 407 I HN 0.485 nan 8.210 nan 0.000 0.476 408 E N 4.859 125.062 120.200 0.004 0.000 2.389 408 E HA 0.350 4.698 4.350 -0.004 0.000 0.199 408 E C 0.090 176.606 176.600 -0.140 0.000 0.978 408 E CA 0.151 56.578 56.400 0.045 0.000 0.912 408 E CB 0.942 30.750 29.700 0.179 0.000 0.907 408 E HN 0.676 nan 8.360 nan 0.000 0.494 409 A N 0.504 123.164 122.820 -0.267 0.000 2.590 409 A HA 0.569 4.887 4.320 -0.004 0.000 0.294 409 A C -2.085 175.410 177.584 -0.150 0.000 1.046 409 A CA -0.688 51.127 52.037 -0.369 0.000 0.684 409 A CB 1.018 19.326 19.000 -1.153 0.000 1.279 409 A HN 0.034 nan 8.150 nan 0.000 0.415 410 L N 1.407 122.593 121.223 -0.062 0.000 2.476 410 L HA 0.818 5.155 4.340 -0.004 0.000 0.269 410 L C 0.104 177.006 176.870 0.052 0.000 0.965 410 L CA 0.566 55.406 54.840 0.001 0.000 0.845 410 L CB 2.095 44.178 42.059 0.040 0.000 1.259 410 L HN 1.294 nan 8.230 nan 0.000 0.403 411 T N -0.282 114.322 114.554 0.082 0.000 2.927 411 T HA 0.417 4.765 4.350 -0.004 0.000 0.286 411 T C 1.054 175.797 174.700 0.072 0.000 1.040 411 T CA 0.044 62.204 62.100 0.100 0.000 1.010 411 T CB 1.286 70.253 68.868 0.164 0.000 1.177 411 T HN 0.673 nan 8.240 nan 0.000 0.546 412 S N -0.505 115.237 115.700 0.070 0.000 2.469 412 S HA -0.091 4.377 4.470 -0.004 0.000 0.238 412 S C 0.873 175.461 174.600 -0.019 0.000 0.998 412 S CA 1.080 59.309 58.200 0.048 0.000 0.957 412 S CB -0.497 62.734 63.200 0.052 0.000 0.764 412 S HN 0.741 nan 8.310 nan 0.000 0.514 413 D N -1.122 119.249 120.400 -0.049 0.000 2.470 413 D HA 0.231 4.869 4.640 -0.004 0.000 0.238 413 D C -0.572 175.393 176.300 -0.557 0.000 1.054 413 D CA 0.475 54.319 54.000 -0.259 0.000 0.896 413 D CB 0.459 41.140 40.800 -0.198 0.000 1.118 413 D HN 0.408 nan 8.370 nan 0.000 0.497 414 Y N 0.159 120.396 120.300 -0.105 0.000 2.553 414 Y HA 0.477 5.025 4.550 -0.004 0.000 0.347 414 Y C -0.649 175.061 175.900 -0.317 0.000 1.019 414 Y CA -0.949 56.991 58.100 -0.267 0.000 1.032 414 Y CB 2.535 40.710 38.460 -0.474 0.000 1.284 414 Y HN -0.261 nan 8.280 nan 0.000 0.466 415 L N 2.870 123.954 121.223 -0.232 0.000 2.356 415 L HA 0.606 4.944 4.340 -0.004 0.000 0.277 415 L C -1.882 174.859 176.870 -0.215 0.000 0.996 415 L CA -0.599 54.101 54.840 -0.234 0.000 0.822 415 L CB 0.827 42.658 42.059 -0.380 0.000 1.256 415 L HN 0.598 nan 8.230 nan 0.000 0.413 416 Y N 4.847 125.074 120.300 -0.122 0.000 2.360 416 Y HA 0.571 5.119 4.550 -0.003 0.000 0.337 416 Y C -0.381 175.521 175.900 0.003 0.000 1.039 416 Y CA -0.470 57.563 58.100 -0.112 0.000 1.109 416 Y CB 1.305 39.620 38.460 -0.241 0.000 1.201 416 Y HN 0.537 nan 8.280 nan 0.000 0.458 417 Y N -0.220 120.146 120.300 0.110 0.000 2.655 417 Y HA 0.841 5.389 4.550 -0.004 0.000 0.336 417 Y C -1.849 174.141 175.900 0.149 0.000 1.154 417 Y CA -2.056 56.098 58.100 0.090 0.000 1.055 417 Y CB 1.188 39.676 38.460 0.047 0.000 1.295 417 Y HN 0.429 nan 8.280 nan 0.000 0.465 418 I N 2.662 123.416 120.570 0.307 0.000 2.474 418 I HA 0.674 4.842 4.170 -0.004 0.000 0.294 418 I C -0.434 175.876 176.117 0.321 0.000 1.005 418 I CA -0.438 60.985 61.300 0.205 0.000 1.113 418 I CB 2.104 40.170 38.000 0.110 0.000 1.289 418 I HN 0.890 nan 8.210 nan 0.000 0.436 419 S N 2.890 118.750 115.700 0.267 0.000 2.671 419 S HA 0.447 4.915 4.470 -0.004 0.000 0.277 419 S C -0.650 174.013 174.600 0.104 0.000 1.165 419 S CA -0.851 57.487 58.200 0.231 0.000 0.822 419 S CB 1.653 65.008 63.200 0.259 0.000 1.150 419 S HN 0.630 nan 8.310 nan 0.000 0.479 420 N N -0.517 118.236 118.700 0.089 0.000 2.389 420 N HA 0.171 4.909 4.740 -0.004 0.000 0.260 420 N C 0.491 175.985 175.510 -0.027 0.000 1.191 420 N CA -0.317 52.742 53.050 0.015 0.000 0.885 420 N CB 0.329 38.811 38.487 -0.008 0.000 1.162 420 N HN 0.805 nan 8.380 nan 0.000 0.512 421 E N -0.042 120.010 120.200 -0.247 0.000 2.072 421 E HA -0.189 4.159 4.350 -0.004 0.000 0.191 421 E C -0.331 176.119 176.600 -0.250 0.000 0.985 421 E CA 0.223 56.234 56.400 -0.648 0.000 0.801 421 E CB -0.088 28.589 29.700 -1.705 0.000 0.750 421 E HN 0.388 nan 8.360 nan 0.000 0.452 422 Y N 2.204 122.409 120.300 -0.159 0.000 2.944 422 Y HA -0.208 4.339 4.550 -0.004 0.000 0.340 422 Y C 0.443 176.304 175.900 -0.066 0.000 1.275 422 Y CA 1.121 59.178 58.100 -0.073 0.000 1.590 422 Y CB 0.050 38.494 38.460 -0.028 0.000 1.218 422 Y HN 0.117 nan 8.280 nan 0.000 0.576 423 K N 3.259 123.348 120.400 -0.519 0.000 3.104 423 K HA -0.271 4.047 4.320 -0.004 0.000 0.285 423 K C 0.895 177.414 176.600 -0.136 0.000 1.136 423 K CA 0.844 56.895 56.287 -0.394 0.000 0.842 423 K CB -1.885 30.323 32.500 -0.487 0.000 1.217 423 K HN 1.315 nan 8.250 nan 0.000 0.467 424 G N 0.654 109.392 108.800 -0.103 0.000 2.225 424 G HA2 -0.331 3.627 3.960 -0.004 0.000 0.267 424 G HA3 -0.331 3.627 3.960 -0.004 0.000 0.267 424 G C 0.021 174.896 174.900 -0.041 0.000 1.024 424 G CA 0.759 45.848 45.100 -0.019 0.000 0.784 424 G HN 0.334 nan 8.290 nan 0.000 0.507 425 M N 1.046 120.558 119.600 -0.146 0.000 2.111 425 M HA 0.234 4.712 4.480 -0.004 0.000 0.351 425 M C -0.832 175.243 176.300 -0.376 0.000 1.214 425 M CA -1.970 53.092 55.300 -0.397 0.000 1.120 425 M CB 1.478 33.913 32.600 -0.274 0.000 1.443 425 M HN -0.049 nan 8.290 nan 0.000 0.429 426 P HA -0.089 nan 4.420 nan 0.000 0.225 426 P C 0.987 178.146 177.300 -0.235 0.000 1.148 426 P CA 1.194 64.133 63.100 -0.268 0.000 0.779 426 P CB 0.149 31.703 31.700 -0.244 0.000 0.780 427 G N -0.646 107.948 108.800 -0.344 0.000 3.141 427 G HA2 0.300 4.258 3.960 -0.004 0.000 0.218 427 G HA3 0.300 4.258 3.960 -0.004 0.000 0.218 427 G C 0.682 175.571 174.900 -0.019 0.000 1.170 427 G CA 0.096 45.118 45.100 -0.130 0.000 0.769 427 G HN 0.427 nan 8.290 nan 0.000 0.546 428 G N -0.231 108.504 108.800 -0.109 0.000 2.471 428 G HA2 0.661 4.619 3.960 -0.004 0.000 0.332 428 G HA3 0.661 4.619 3.960 -0.004 0.000 0.332 428 G C -0.843 173.923 174.900 -0.224 0.000 1.176 428 G CA -0.785 44.279 45.100 -0.060 0.000 0.949 428 G HN 0.093 nan 8.290 nan 0.000 0.488 429 R N 0.908 121.247 120.500 -0.269 0.000 2.522 429 R HA 0.390 4.728 4.340 -0.004 0.000 0.283 429 R C -1.369 174.886 176.300 -0.075 0.000 1.074 429 R CA -0.769 55.157 56.100 -0.291 0.000 0.925 429 R CB 2.101 31.993 30.300 -0.680 0.000 1.205 429 R HN 0.602 nan 8.270 nan 0.000 0.436 430 N N 1.594 120.271 118.700 -0.038 0.000 2.357 430 N HA 0.353 5.091 4.740 -0.004 0.000 0.284 430 N C -1.246 174.112 175.510 -0.253 0.000 1.236 430 N CA -0.841 52.090 53.050 -0.199 0.000 0.774 430 N CB 2.731 40.974 38.487 -0.406 0.000 1.534 430 N HN 0.247 nan 8.380 nan 0.000 0.478 431 L N 2.046 122.980 121.223 -0.482 0.000 2.305 431 L HA 0.445 4.783 4.340 -0.004 0.000 0.281 431 L C -1.373 175.116 176.870 -0.634 0.000 1.085 431 L CA 0.086 54.686 54.840 -0.399 0.000 0.813 431 L CB -0.088 41.748 42.059 -0.371 0.000 1.157 431 L HN 0.412 nan 8.230 nan 0.000 0.436 432 Y N 3.485 123.437 120.300 -0.579 0.000 2.570 432 Y HA 0.575 5.123 4.550 -0.004 0.000 0.345 432 Y C -0.390 175.173 175.900 -0.562 0.000 1.014 432 Y CA -0.854 56.844 58.100 -0.669 0.000 1.063 432 Y CB 1.752 39.592 38.460 -1.034 0.000 1.272 432 Y HN 0.479 nan 8.280 nan 0.000 0.477 433 K N 2.816 123.079 120.400 -0.230 0.000 2.426 433 K HA 0.667 4.984 4.320 -0.004 0.000 0.254 433 K C -1.889 174.671 176.600 -0.068 0.000 0.936 433 K CA -0.555 55.549 56.287 -0.304 0.000 0.801 433 K CB 1.535 33.768 32.500 -0.445 0.000 1.139 433 K HN 0.777 nan 8.250 nan 0.000 0.424 434 I N 3.131 123.711 120.570 0.018 0.000 2.465 434 I HA 0.235 4.403 4.170 -0.004 0.000 0.291 434 I C -0.855 175.346 176.117 0.139 0.000 1.014 434 I CA -0.710 60.673 61.300 0.138 0.000 1.093 434 I CB 1.854 39.962 38.000 0.181 0.000 1.267 434 I HN 0.727 nan 8.210 nan 0.000 0.431 435 Q N 6.160 126.035 119.800 0.125 0.000 2.293 435 Q HA 0.229 4.567 4.340 -0.004 0.000 0.263 435 Q C 0.295 176.219 176.000 -0.127 0.000 1.002 435 Q CA -0.264 55.442 55.803 -0.161 0.000 0.910 435 Q CB 1.234 29.917 28.738 -0.091 0.000 1.185 435 Q HN 0.825 nan 8.270 nan 0.000 0.401 436 L N 2.345 123.420 121.223 -0.247 0.000 2.131 436 L HA -0.160 4.178 4.340 -0.004 0.000 0.210 436 L C 2.065 178.775 176.870 -0.266 0.000 1.092 436 L CA 1.311 56.081 54.840 -0.116 0.000 0.759 436 L CB -0.399 41.576 42.059 -0.140 0.000 0.903 436 L HN 0.675 nan 8.230 nan 0.000 0.435 437 S N -2.371 113.159 115.700 -0.284 0.000 2.603 437 S HA -0.027 4.441 4.470 -0.004 0.000 0.220 437 S C 0.414 174.835 174.600 -0.297 0.000 0.967 437 S CA 0.038 58.075 58.200 -0.272 0.000 0.920 437 S CB 0.006 63.087 63.200 -0.199 0.000 0.773 437 S HN 0.390 nan 8.310 nan 0.000 0.529 438 D N -0.233 119.988 120.400 -0.299 0.000 2.362 438 D HA 0.161 4.799 4.640 -0.004 0.000 0.232 438 D C -0.477 175.773 176.300 -0.082 0.000 1.329 438 D CA -0.529 53.340 54.000 -0.219 0.000 0.944 438 D CB -0.164 40.570 40.800 -0.110 0.000 1.471 438 D HN -0.045 nan 8.370 nan 0.000 0.533 439 Y N 0.850 121.127 120.300 -0.038 0.000 2.556 439 Y HA -0.099 4.449 4.550 -0.004 0.000 0.290 439 Y C 2.572 178.476 175.900 0.007 0.000 1.149 439 Y CA 1.526 59.615 58.100 -0.018 0.000 1.329 439 Y CB -0.862 37.587 38.460 -0.017 0.000 0.975 439 Y HN 0.447 nan 8.280 nan 0.000 0.561 440 T N -2.810 111.821 114.554 0.128 0.000 3.113 440 T HA 0.002 4.350 4.350 -0.004 0.000 0.256 440 T C 0.610 175.358 174.700 0.080 0.000 1.131 440 T CA 0.102 62.255 62.100 0.089 0.000 1.074 440 T CB -0.093 68.803 68.868 0.047 0.000 0.944 440 T HN -0.144 nan 8.240 nan 0.000 0.516 441 K N 2.417 122.869 120.400 0.086 0.000 2.296 441 K HA 0.527 4.844 4.320 -0.004 0.000 0.257 441 K C -1.191 175.477 176.600 0.113 0.000 1.088 441 K CA -0.373 55.965 56.287 0.084 0.000 0.980 441 K CB 1.369 33.912 32.500 0.072 0.000 1.430 441 K HN 0.165 nan 8.250 nan 0.000 0.441 442 V N 2.389 122.365 119.914 0.104 0.000 2.487 442 V HA 0.360 4.478 4.120 -0.004 0.000 0.298 442 V C -0.114 176.030 176.094 0.084 0.000 1.028 442 V CA -0.700 61.672 62.300 0.119 0.000 0.860 442 V CB 2.033 33.947 31.823 0.153 0.000 0.991 442 V HN 0.567 nan 8.190 nan 0.000 0.427 443 T N 3.204 117.779 114.554 0.036 0.000 2.829 443 T HA 0.290 4.638 4.350 -0.004 0.000 0.280 443 T C -0.485 174.143 174.700 -0.120 0.000 0.999 443 T CA -0.306 61.771 62.100 -0.039 0.000 0.983 443 T CB 1.467 70.278 68.868 -0.095 0.000 0.968 443 T HN 0.765 nan 8.240 nan 0.000 0.446 444 C N 5.216 124.379 119.300 -0.229 0.000 2.303 444 C HA 0.446 4.904 4.460 -0.004 0.000 0.341 444 C C 1.643 176.322 174.990 -0.519 0.000 1.244 444 C CA -0.658 57.982 59.018 -0.631 0.000 1.765 444 C CB -1.947 25.333 27.740 -0.767 0.000 2.379 444 C HN 0.987 nan 8.230 nan 0.000 0.530 445 L N 4.651 125.549 121.223 -0.541 0.000 2.492 445 L HA 0.058 4.396 4.340 -0.004 0.000 0.223 445 L C 2.156 178.711 176.870 -0.524 0.000 1.132 445 L CA 1.041 55.629 54.840 -0.420 0.000 0.850 445 L CB -0.285 41.571 42.059 -0.339 0.000 0.966 445 L HN 0.889 nan 8.230 nan 0.000 0.454 446 S N -3.156 112.111 115.700 -0.723 0.000 2.619 446 S HA -0.024 4.444 4.470 -0.004 0.000 0.238 446 S C 1.932 176.082 174.600 -0.749 0.000 1.068 446 S CA 0.058 57.702 58.200 -0.927 0.000 0.926 446 S CB -0.351 61.897 63.200 -1.586 0.000 0.864 446 S HN 0.302 nan 8.310 nan 0.000 0.493 447 C N 2.908 121.755 119.300 -0.755 0.000 2.336 447 C HA -0.117 4.340 4.460 -0.004 0.000 0.272 447 C C 2.340 177.010 174.990 -0.534 0.000 1.160 447 C CA 1.499 60.011 59.018 -0.843 0.000 1.783 447 C CB -0.966 26.149 27.740 -1.041 0.000 2.050 447 C HN 0.618 nan 8.230 nan 0.000 0.443 448 E N 0.336 120.327 120.200 -0.350 0.000 2.463 448 E HA 0.169 4.516 4.350 -0.004 0.000 0.193 448 E C 1.834 178.372 176.600 -0.102 0.000 1.041 448 E CA -0.013 56.288 56.400 -0.165 0.000 0.879 448 E CB -0.277 29.354 29.700 -0.115 0.000 0.997 448 E HN 0.672 nan 8.360 nan 0.000 0.478 449 L N 0.540 121.693 121.223 -0.116 0.000 2.042 449 L HA -0.099 4.239 4.340 -0.004 0.000 0.210 449 L C 1.064 177.938 176.870 0.007 0.000 1.076 449 L CA 1.005 55.821 54.840 -0.040 0.000 0.749 449 L CB -0.109 41.940 42.059 -0.016 0.000 0.893 449 L HN 0.066 nan 8.230 nan 0.000 0.432 450 N N -1.532 117.184 118.700 0.026 0.000 3.029 450 N HA 0.057 4.795 4.740 -0.004 0.000 0.198 450 N C -2.094 173.434 175.510 0.030 0.000 1.444 450 N CA -0.762 52.300 53.050 0.020 0.000 0.784 450 N CB 0.669 39.163 38.487 0.012 0.000 1.539 450 N HN -0.190 nan 8.380 nan 0.000 0.582 451 P HA -0.158 nan 4.420 nan 0.000 0.218 451 P C 0.547 177.890 177.300 0.072 0.000 1.146 451 P CA 1.365 64.511 63.100 0.076 0.000 0.813 451 P CB 0.618 32.383 31.700 0.109 0.000 0.778 452 E N -0.491 119.731 120.200 0.037 0.000 2.170 452 E HA -0.056 4.291 4.350 -0.004 0.000 0.191 452 E C 2.377 178.974 176.600 -0.005 0.000 0.981 452 E CA 0.352 56.766 56.400 0.022 0.000 0.830 452 E CB -0.142 29.563 29.700 0.010 0.000 0.775 452 E HN 0.231 nan 8.360 nan 0.000 0.470 453 R N 0.099 120.582 120.500 -0.027 0.000 2.206 453 R HA 0.107 4.445 4.340 -0.004 0.000 0.198 453 R C -0.126 176.111 176.300 -0.104 0.000 0.986 453 R CA 0.425 56.482 56.100 -0.072 0.000 1.029 453 R CB 0.517 30.765 30.300 -0.086 0.000 0.966 453 R HN 0.042 nan 8.270 nan 0.000 0.487 454 c N 1.247 119.796 118.600 -0.086 0.000 2.321 454 c HA 0.416 4.984 4.570 -0.004 0.000 0.323 454 c C 0.131 174.181 174.090 -0.068 0.000 1.191 454 c CA -0.679 55.533 56.329 -0.194 0.000 1.455 454 c CB 1.274 43.606 42.510 -0.297 0.000 2.083 454 c HN 0.521 nan 8.230 nan 0.000 0.442 455 Q N 0.449 120.213 119.800 -0.059 0.000 2.140 455 Q HA 0.168 4.506 4.340 -0.004 0.000 0.227 455 Q C -0.868 175.197 176.000 0.109 0.000 0.798 455 Q CA 0.127 55.980 55.803 0.084 0.000 0.987 455 Q CB 1.385 30.194 28.738 0.119 0.000 1.161 455 Q HN 0.789 nan 8.270 nan 0.000 0.480 456 Y N 0.510 120.711 120.300 -0.165 0.000 2.402 456 Y HA 0.350 4.898 4.550 -0.004 0.000 0.325 456 Y C -1.503 174.278 175.900 -0.198 0.000 1.009 456 Y CA -1.077 56.959 58.100 -0.106 0.000 1.278 456 Y CB 0.613 39.017 38.460 -0.094 0.000 1.105 456 Y HN -0.082 nan 8.280 nan 0.000 0.476 457 Y N 1.946 122.210 120.300 -0.061 0.000 2.457 457 Y HA 0.665 5.213 4.550 -0.004 0.000 0.333 457 Y C 0.351 176.230 175.900 -0.035 0.000 1.119 457 Y CA -0.401 57.667 58.100 -0.052 0.000 1.143 457 Y CB 2.259 40.644 38.460 -0.124 0.000 1.230 457 Y HN 0.419 nan 8.280 nan 0.000 0.469 458 S N 0.859 116.683 115.700 0.207 0.000 2.569 458 S HA 0.801 5.269 4.470 -0.004 0.000 0.280 458 S C -1.765 172.929 174.600 0.157 0.000 1.111 458 S CA -0.609 57.687 58.200 0.161 0.000 0.887 458 S CB 1.563 64.862 63.200 0.165 0.000 1.095 458 S HN 0.495 nan 8.310 nan 0.000 0.476 459 V N 1.784 121.787 119.914 0.148 0.000 3.130 459 V HA 0.919 5.037 4.120 -0.004 0.000 0.310 459 V C -1.179 175.022 176.094 0.180 0.000 1.158 459 V CA -0.292 62.078 62.300 0.117 0.000 1.029 459 V CB 2.425 34.255 31.823 0.012 0.000 1.057 459 V HN 0.822 nan 8.190 nan 0.000 0.436 460 S N 3.380 119.174 115.700 0.156 0.000 2.737 460 S HA 0.634 5.102 4.470 -0.004 0.000 0.269 460 S C -1.275 173.478 174.600 0.255 0.000 1.150 460 S CA -0.395 57.987 58.200 0.302 0.000 1.077 460 S CB 0.375 63.798 63.200 0.372 0.000 1.075 460 S HN 0.494 nan 8.310 nan 0.000 0.476 461 F N 2.867 122.867 119.950 0.084 0.000 2.370 461 F HA 0.488 5.012 4.527 -0.004 0.000 0.324 461 F C 1.494 176.895 175.800 -0.665 0.000 1.116 461 F CA -0.184 57.709 58.000 -0.179 0.000 1.123 461 F CB 1.214 40.085 39.000 -0.215 0.000 1.238 461 F HN 0.614 nan 8.300 nan 0.000 0.536 462 S N 1.293 116.437 115.700 -0.926 0.000 2.640 462 S HA 0.214 4.681 4.470 -0.004 0.000 0.262 462 S C 1.200 175.559 174.600 -0.402 0.000 1.232 462 S CA -0.772 56.597 58.200 -1.386 0.000 0.988 462 S CB 0.678 63.126 63.200 -1.253 0.000 1.034 462 S HN 0.486 nan 8.310 nan 0.000 0.569 463 K N 0.862 121.157 120.400 -0.175 0.000 2.059 463 K HA -0.076 4.242 4.320 -0.004 0.000 0.212 463 K C 1.076 177.657 176.600 -0.032 0.000 1.050 463 K CA 1.568 57.840 56.287 -0.025 0.000 0.927 463 K CB -0.513 32.007 32.500 0.034 0.000 0.714 463 K HN 0.647 nan 8.250 nan 0.000 0.447 464 E N -0.710 119.453 120.200 -0.062 0.000 2.496 464 E HA 0.238 4.586 4.350 -0.004 0.000 0.200 464 E C -0.007 176.559 176.600 -0.058 0.000 1.016 464 E CA 0.071 56.446 56.400 -0.040 0.000 0.962 464 E CB 0.446 30.126 29.700 -0.033 0.000 1.071 464 E HN 0.237 nan 8.360 nan 0.000 0.457 465 A N 1.212 123.986 122.820 -0.076 0.000 2.860 465 A HA -0.320 3.998 4.320 -0.004 0.000 0.267 465 A C 1.528 179.098 177.584 -0.022 0.000 1.421 465 A CA 1.664 53.692 52.037 -0.015 0.000 0.831 465 A CB -2.061 16.835 19.000 -0.173 0.000 1.041 465 A HN 0.288 nan 8.150 nan 0.000 0.623 466 K N -1.862 118.454 120.400 -0.141 0.000 2.217 466 K HA 0.095 4.413 4.320 -0.004 0.000 0.202 466 K C 0.017 176.267 176.600 -0.584 0.000 1.051 466 K CA 1.380 57.474 56.287 -0.322 0.000 0.952 466 K CB -0.001 32.295 32.500 -0.341 0.000 0.736 466 K HN 0.674 nan 8.250 nan 0.000 0.453 467 Y N -0.897 119.325 120.300 -0.130 0.000 2.581 467 Y HA 0.310 4.858 4.550 -0.003 0.000 0.345 467 Y C -1.083 174.710 175.900 -0.179 0.000 1.036 467 Y CA -1.358 56.660 58.100 -0.137 0.000 1.042 467 Y CB 1.719 40.141 38.460 -0.064 0.000 1.289 467 Y HN -0.046 nan 8.280 nan 0.000 0.471 468 Y N -0.763 119.487 120.300 -0.084 0.000 2.470 468 Y HA 0.511 5.058 4.550 -0.004 0.000 0.341 468 Y C -1.078 174.828 175.900 0.009 0.000 1.021 468 Y CA -1.445 56.458 58.100 -0.329 0.000 1.025 468 Y CB 1.398 39.142 38.460 -1.194 0.000 1.266 468 Y HN 0.602 nan 8.280 nan 0.000 0.448 469 Q N 4.394 124.344 119.800 0.250 0.000 2.256 469 Q HA 0.528 4.866 4.340 -0.004 0.000 0.254 469 Q C -1.668 174.446 176.000 0.191 0.000 0.916 469 Q CA -0.611 55.297 55.803 0.174 0.000 0.932 469 Q CB 1.218 30.023 28.738 0.111 0.000 1.207 469 Q HN 0.980 nan 8.270 nan 0.000 0.426 470 L N 4.384 125.741 121.223 0.224 0.000 2.325 470 L HA 0.534 4.872 4.340 -0.004 0.000 0.279 470 L C -0.230 176.735 176.870 0.158 0.000 1.054 470 L CA -0.629 54.339 54.840 0.213 0.000 0.804 470 L CB 1.359 43.551 42.059 0.223 0.000 1.200 470 L HN 0.654 nan 8.230 nan 0.000 0.436 471 R N 2.429 123.002 120.500 0.121 0.000 2.412 471 R HA 0.300 4.638 4.340 -0.004 0.000 0.304 471 R C -1.059 175.115 176.300 -0.211 0.000 1.066 471 R CA -0.518 55.509 56.100 -0.123 0.000 0.923 471 R CB 1.566 31.884 30.300 0.030 0.000 1.156 471 R HN 0.572 nan 8.270 nan 0.000 0.513 472 c N 2.746 121.076 118.600 -0.450 0.000 2.347 472 c HA 0.368 4.936 4.570 -0.004 0.000 0.353 472 c C 1.537 175.367 174.090 -0.434 0.000 1.273 472 c CA -0.224 55.726 56.329 -0.633 0.000 1.861 472 c CB 0.218 42.296 42.510 -0.720 0.000 2.420 472 c HN 0.977 nan 8.230 nan 0.000 0.542 473 S N 3.741 119.280 115.700 -0.268 0.000 2.629 473 S HA 0.601 5.069 4.470 -0.004 0.000 0.236 473 S C 0.423 174.957 174.600 -0.111 0.000 1.010 473 S CA 0.261 58.364 58.200 -0.162 0.000 0.981 473 S CB 0.068 63.209 63.200 -0.098 0.000 0.919 473 S HN 1.898 nan 8.310 nan 0.000 0.514 474 G N 1.740 110.461 108.800 -0.132 0.000 2.316 474 G HA2 0.387 4.345 3.960 -0.004 0.000 0.296 474 G HA3 0.387 4.345 3.960 -0.004 0.000 0.296 474 G C -3.037 171.828 174.900 -0.059 0.000 1.399 474 G CA -0.503 44.561 45.100 -0.060 0.000 0.833 474 G HN -0.135 nan 8.290 nan 0.000 0.565 475 P HA 0.133 nan 4.420 nan 0.000 0.237 475 P C 1.181 178.472 177.300 -0.015 0.000 1.178 475 P CA 1.221 64.335 63.100 0.022 0.000 0.766 475 P CB 0.435 32.154 31.700 0.031 0.000 0.876 476 G N 0.252 108.977 108.800 -0.126 0.000 2.531 476 G HA2 0.446 4.404 3.960 -0.004 0.000 0.281 476 G HA3 0.446 4.404 3.960 -0.004 0.000 0.281 476 G C -0.416 174.199 174.900 -0.474 0.000 1.382 476 G CA -0.800 44.142 45.100 -0.264 0.000 1.045 476 G HN 0.034 nan 8.290 nan 0.000 0.533 477 L N 1.281 122.169 121.223 -0.557 0.000 2.456 477 L HA 0.165 4.503 4.340 -0.004 0.000 0.272 477 L C -1.844 174.849 176.870 -0.295 0.000 1.189 477 L CA -1.248 53.247 54.840 -0.575 0.000 0.846 477 L CB 0.803 42.616 42.059 -0.410 0.000 1.111 477 L HN 0.238 nan 8.230 nan 0.000 0.475 478 P HA -0.018 nan 4.420 nan 0.000 0.264 478 P C -0.968 176.218 177.300 -0.190 0.000 1.179 478 P CA 0.124 63.111 63.100 -0.188 0.000 0.763 478 P CB 0.493 32.173 31.700 -0.033 0.000 0.806 479 L N 5.070 126.077 121.223 -0.360 0.000 2.438 479 L HA 0.487 4.825 4.340 -0.004 0.000 0.270 479 L C -1.749 174.910 176.870 -0.350 0.000 0.972 479 L CA -0.612 54.096 54.840 -0.221 0.000 0.831 479 L CB 1.038 43.001 42.059 -0.160 0.000 1.273 479 L HN 0.224 nan 8.230 nan 0.000 0.405 480 Y N 2.560 122.816 120.300 -0.074 0.000 2.341 480 Y HA 0.767 5.315 4.550 -0.003 0.000 0.338 480 Y C 0.429 176.224 175.900 -0.175 0.000 0.965 480 Y CA -0.606 57.434 58.100 -0.100 0.000 1.108 480 Y CB 2.160 40.542 38.460 -0.130 0.000 1.180 480 Y HN 0.663 nan 8.280 nan 0.000 0.458 481 T N 0.613 115.164 114.554 -0.004 0.000 2.906 481 T HA 0.731 5.079 4.350 -0.004 0.000 0.295 481 T C -1.527 173.040 174.700 -0.221 0.000 1.075 481 T CA -0.874 61.142 62.100 -0.139 0.000 1.005 481 T CB 2.015 70.859 68.868 -0.039 0.000 1.136 481 T HN 0.398 nan 8.240 nan 0.000 0.498 482 L N 1.639 122.595 121.223 -0.445 0.000 2.334 482 L HA 0.635 4.973 4.340 -0.004 0.000 0.276 482 L C -0.811 175.639 176.870 -0.700 0.000 1.014 482 L CA -0.352 54.265 54.840 -0.371 0.000 0.815 482 L CB 1.302 43.210 42.059 -0.253 0.000 1.268 482 L HN 0.821 nan 8.230 nan 0.000 0.428 483 H N 1.472 120.308 119.070 -0.391 0.000 2.895 483 H HA 0.355 4.909 4.556 -0.004 0.000 0.373 483 H C -1.121 173.928 175.328 -0.464 0.000 1.174 483 H CA -0.799 54.899 56.048 -0.584 0.000 1.144 483 H CB 2.253 31.319 29.762 -1.160 0.000 1.793 483 H HN 0.506 nan 8.280 nan 0.000 0.551 484 S N 0.613 116.228 115.700 -0.142 0.000 2.457 484 S HA 0.154 4.622 4.470 -0.004 0.000 0.289 484 S C 0.788 175.340 174.600 -0.081 0.000 1.163 484 S CA -0.536 57.619 58.200 -0.075 0.000 1.078 484 S CB 0.832 64.039 63.200 0.011 0.000 0.987 484 S HN 0.606 nan 8.310 nan 0.000 0.482 485 S N 3.829 119.490 115.700 -0.064 0.000 2.406 485 S HA -0.084 4.383 4.470 -0.004 0.000 0.228 485 S C 1.902 176.532 174.600 0.049 0.000 1.020 485 S CA 0.840 59.127 58.200 0.145 0.000 0.965 485 S CB -0.307 62.970 63.200 0.128 0.000 0.798 485 S HN 0.690 nan 8.310 nan 0.000 0.488 486 V N 3.777 123.665 119.914 -0.044 0.000 2.568 486 V HA -0.169 3.949 4.120 -0.004 0.000 0.253 486 V C 1.182 177.276 176.094 0.001 0.000 1.072 486 V CA 2.114 64.403 62.300 -0.019 0.000 1.084 486 V CB -0.546 31.252 31.823 -0.042 0.000 0.676 486 V HN 0.836 nan 8.190 nan 0.000 0.469 487 N N -3.352 115.350 118.700 0.004 0.000 2.081 487 N HA 0.043 4.780 4.740 -0.004 0.000 0.230 487 N C -0.359 175.160 175.510 0.015 0.000 1.351 487 N CA 0.278 53.332 53.050 0.007 0.000 0.840 487 N CB 0.557 39.049 38.487 0.008 0.000 1.189 487 N HN 0.275 nan 8.380 nan 0.000 0.503 488 D N 0.988 121.417 120.400 0.048 0.000 2.751 488 D HA -0.124 4.514 4.640 -0.004 0.000 0.233 488 D C -0.594 175.738 176.300 0.053 0.000 1.149 488 D CA 1.158 55.209 54.000 0.086 0.000 0.682 488 D CB -0.415 40.420 40.800 0.057 0.000 1.068 488 D HN 0.416 nan 8.370 nan 0.000 0.429 489 K N 0.232 120.652 120.400 0.034 0.000 2.143 489 K HA 0.491 4.809 4.320 -0.004 0.000 0.272 489 K C 0.871 177.492 176.600 0.034 0.000 1.001 489 K CA -0.489 55.818 56.287 0.032 0.000 0.915 489 K CB 1.352 33.858 32.500 0.010 0.000 1.047 489 K HN 0.101 nan 8.250 nan 0.000 0.458 490 G N 2.642 111.460 108.800 0.030 0.000 2.356 490 G HA2 0.190 4.148 3.960 -0.004 0.000 0.273 490 G HA3 0.190 4.148 3.960 -0.004 0.000 0.273 490 G C 0.989 175.774 174.900 -0.191 0.000 1.213 490 G CA -0.342 44.669 45.100 -0.148 0.000 0.955 490 G HN 0.524 nan 8.290 nan 0.000 0.454 491 L N 1.939 122.993 121.223 -0.282 0.000 2.131 491 L HA 0.239 4.576 4.340 -0.004 0.000 0.206 491 L C 1.663 178.432 176.870 -0.168 0.000 1.087 491 L CA 0.935 55.672 54.840 -0.172 0.000 0.767 491 L CB -0.277 41.691 42.059 -0.151 0.000 0.917 491 L HN 0.820 nan 8.230 nan 0.000 0.441 492 R N -2.598 117.756 120.500 -0.244 0.000 3.110 492 R HA 0.245 4.583 4.340 -0.004 0.000 0.287 492 R C -1.754 174.404 176.300 -0.236 0.000 0.969 492 R CA -0.939 55.045 56.100 -0.193 0.000 0.828 492 R CB 0.782 30.997 30.300 -0.142 0.000 1.354 492 R HN -0.285 nan 8.270 nan 0.000 0.524 493 V N 2.390 122.196 119.914 -0.179 0.000 2.465 493 V HA 0.240 4.358 4.120 -0.004 0.000 0.279 493 V C 1.238 177.189 176.094 -0.239 0.000 1.045 493 V CA -0.436 61.760 62.300 -0.174 0.000 0.938 493 V CB 1.268 33.029 31.823 -0.104 0.000 0.986 493 V HN 0.619 nan 8.190 nan 0.000 0.467 494 L N 2.433 123.455 121.223 -0.335 0.000 2.253 494 L HA 0.329 4.667 4.340 -0.004 0.000 0.205 494 L C 0.619 177.267 176.870 -0.370 0.000 1.078 494 L CA 0.613 55.080 54.840 -0.622 0.000 0.805 494 L CB 0.297 41.624 42.059 -1.220 0.000 0.963 494 L HN 0.692 nan 8.230 nan 0.000 0.459 495 E N -0.167 119.956 120.200 -0.129 0.000 2.406 495 E HA 0.079 4.427 4.350 -0.004 0.000 0.297 495 E C -1.070 175.598 176.600 0.112 0.000 0.917 495 E CA -0.305 56.118 56.400 0.039 0.000 0.795 495 E CB 1.061 30.808 29.700 0.079 0.000 1.285 495 E HN 0.148 nan 8.360 nan 0.000 0.400 496 D N 3.069 123.503 120.400 0.057 0.000 2.441 496 D HA 0.126 4.763 4.640 -0.004 0.000 0.210 496 D C -0.192 176.124 176.300 0.026 0.000 1.102 496 D CA -0.123 53.895 54.000 0.029 0.000 0.840 496 D CB 0.034 40.831 40.800 -0.006 0.000 0.990 496 D HN 0.439 nan 8.370 nan 0.000 0.505 497 N N 0.213 118.947 118.700 0.057 0.000 2.747 497 N HA -0.206 4.532 4.740 -0.004 0.000 0.249 497 N C 0.972 176.494 175.510 0.019 0.000 1.107 497 N CA 0.904 53.983 53.050 0.048 0.000 0.707 497 N CB -1.466 37.042 38.487 0.036 0.000 1.054 497 N HN 0.469 nan 8.380 nan 0.000 0.555 498 S N -0.910 114.801 115.700 0.018 0.000 2.368 498 S HA -0.063 4.405 4.470 -0.004 0.000 0.225 498 S C 2.149 176.765 174.600 0.026 0.000 1.030 498 S CA 1.117 59.323 58.200 0.010 0.000 0.999 498 S CB -0.283 62.923 63.200 0.011 0.000 0.844 498 S HN 0.509 nan 8.310 nan 0.000 0.459 499 A N 2.120 124.965 122.820 0.042 0.000 1.892 499 A HA -0.059 4.259 4.320 -0.004 0.000 0.218 499 A C 2.288 179.916 177.584 0.073 0.000 1.188 499 A CA 1.892 53.964 52.037 0.057 0.000 0.631 499 A CB -0.982 18.057 19.000 0.066 0.000 0.822 499 A HN 0.568 nan 8.150 nan 0.000 0.447 500 L N 0.085 121.355 121.223 0.078 0.000 2.072 500 L HA -0.090 4.248 4.340 -0.004 0.000 0.205 500 L C 1.964 178.863 176.870 0.048 0.000 1.079 500 L CA 2.763 57.662 54.840 0.100 0.000 0.752 500 L CB -0.663 41.464 42.059 0.113 0.000 0.906 500 L HN 0.502 nan 8.230 nan 0.000 0.436 501 D N -0.443 119.960 120.400 0.005 0.000 2.133 501 D HA -0.306 4.331 4.640 -0.004 0.000 0.195 501 D C 2.241 178.537 176.300 -0.007 0.000 0.997 501 D CA 1.819 55.801 54.000 -0.030 0.000 0.840 501 D CB -0.123 40.650 40.800 -0.045 0.000 0.947 501 D HN 0.405 nan 8.370 nan 0.000 0.452 502 K N -0.382 120.028 120.400 0.017 0.000 2.009 502 K HA -0.202 4.116 4.320 -0.004 0.000 0.210 502 K C 2.233 178.858 176.600 0.042 0.000 1.049 502 K CA 1.546 57.850 56.287 0.028 0.000 0.929 502 K CB -0.181 32.342 32.500 0.039 0.000 0.714 502 K HN 0.220 nan 8.250 nan 0.000 0.440 503 M N 0.910 120.555 119.600 0.075 0.000 2.108 503 M HA -0.183 4.295 4.480 -0.004 0.000 0.261 503 M C 2.125 178.436 176.300 0.018 0.000 1.066 503 M CA 1.537 56.909 55.300 0.120 0.000 1.107 503 M CB -0.318 32.441 32.600 0.264 0.000 1.356 503 M HN 0.179 nan 8.290 nan 0.000 0.406 504 L N 0.127 121.311 121.223 -0.065 0.000 2.450 504 L HA -0.190 4.148 4.340 -0.004 0.000 0.224 504 L C 2.521 179.345 176.870 -0.077 0.000 1.149 504 L CA 0.536 55.284 54.840 -0.154 0.000 0.816 504 L CB -0.709 41.278 42.059 -0.120 0.000 0.932 504 L HN 0.421 nan 8.230 nan 0.000 0.449 505 Q N -0.320 119.463 119.800 -0.029 0.000 2.167 505 Q HA -0.194 4.144 4.340 -0.004 0.000 0.202 505 Q C 1.383 177.388 176.000 0.008 0.000 0.970 505 Q CA 1.162 56.961 55.803 -0.008 0.000 0.855 505 Q CB -0.436 28.306 28.738 0.006 0.000 0.911 505 Q HN 0.619 nan 8.270 nan 0.000 0.438 506 N N 0.390 119.101 118.700 0.019 0.000 2.313 506 N HA 0.102 4.839 4.740 -0.004 0.000 0.207 506 N C -0.906 174.632 175.510 0.047 0.000 1.141 506 N CA -0.235 52.842 53.050 0.045 0.000 0.830 506 N CB 0.697 39.227 38.487 0.072 0.000 1.008 506 N HN -0.102 nan 8.380 nan 0.000 0.481 507 V N 0.733 120.652 119.914 0.008 0.000 2.760 507 V HA 0.219 4.337 4.120 -0.004 0.000 0.309 507 V C -1.015 175.081 176.094 0.004 0.000 1.077 507 V CA -0.727 61.582 62.300 0.015 0.000 0.910 507 V CB 2.062 33.858 31.823 -0.044 0.000 1.008 507 V HN 0.085 nan 8.190 nan 0.000 0.424 508 Q N 6.362 126.181 119.800 0.032 0.000 2.815 508 Q HA 0.264 4.602 4.340 -0.004 0.000 0.235 508 Q C -0.235 175.742 176.000 -0.039 0.000 1.354 508 Q CA -0.180 55.617 55.803 -0.010 0.000 0.953 508 Q CB 0.254 29.007 28.738 0.025 0.000 1.613 508 Q HN 0.589 nan 8.270 nan 0.000 0.572 509 M N 3.165 122.727 119.600 -0.062 0.000 2.240 509 M HA 0.230 4.708 4.480 -0.004 0.000 0.333 509 M C -1.840 174.393 176.300 -0.113 0.000 1.110 509 M CA -2.163 53.088 55.300 -0.081 0.000 1.173 509 M CB -0.376 32.179 32.600 -0.075 0.000 1.458 509 M HN 0.266 nan 8.290 nan 0.000 0.458 510 P HA 0.254 nan 4.420 nan 0.000 0.276 510 P C -0.857 176.360 177.300 -0.138 0.000 1.261 510 P CA -0.388 62.622 63.100 -0.150 0.000 0.800 510 P CB 0.719 32.317 31.700 -0.170 0.000 1.066 511 S N -0.766 114.839 115.700 -0.159 0.000 2.664 511 S HA 0.626 5.094 4.470 -0.004 0.000 0.304 511 S C -0.582 173.926 174.600 -0.153 0.000 1.099 511 S CA -0.776 57.345 58.200 -0.132 0.000 1.003 511 S CB 1.870 64.994 63.200 -0.128 0.000 1.092 511 S HN 0.528 nan 8.310 nan 0.000 0.525 512 K N 0.587 120.922 120.400 -0.107 0.000 2.397 512 K HA 0.437 4.755 4.320 -0.004 0.000 0.253 512 K C -1.393 175.159 176.600 -0.080 0.000 0.932 512 K CA -0.565 55.663 56.287 -0.098 0.000 0.795 512 K CB 1.470 33.936 32.500 -0.057 0.000 1.159 512 K HN 0.745 nan 8.250 nan 0.000 0.424 513 K N 5.055 125.400 120.400 -0.091 0.000 2.323 513 K HA 0.337 4.655 4.320 -0.004 0.000 0.259 513 K C -1.665 174.904 176.600 -0.052 0.000 0.947 513 K CA -0.849 55.397 56.287 -0.069 0.000 0.819 513 K CB 1.134 33.578 32.500 -0.093 0.000 1.109 513 K HN 0.473 nan 8.250 nan 0.000 0.429 514 L N 4.125 125.335 121.223 -0.022 0.000 2.319 514 L HA 0.511 4.849 4.340 -0.004 0.000 0.281 514 L C -1.153 175.727 176.870 0.017 0.000 1.005 514 L CA 0.183 55.040 54.840 0.028 0.000 0.828 514 L CB 1.300 43.442 42.059 0.138 0.000 1.227 514 L HN 0.835 nan 8.230 nan 0.000 0.415 515 D N 2.843 123.081 120.400 -0.270 0.000 2.921 515 D HA 0.553 5.191 4.640 -0.004 0.000 0.329 515 D C -1.549 174.400 176.300 -0.585 0.000 1.293 515 D CA 0.020 53.771 54.000 -0.416 0.000 0.964 515 D CB 1.576 42.106 40.800 -0.450 0.000 1.435 515 D HN 0.226 nan 8.370 nan 0.000 0.548 516 F N -0.328 119.302 119.950 -0.534 0.000 2.662 516 F HA 0.707 5.232 4.527 -0.004 0.000 0.312 516 F C -1.050 174.816 175.800 0.110 0.000 1.113 516 F CA -1.112 56.679 58.000 -0.348 0.000 0.951 516 F CB 1.010 39.335 39.000 -1.124 0.000 1.344 516 F HN 0.299 nan 8.300 nan 0.000 0.462 517 I N 0.093 120.964 120.570 0.501 0.000 2.785 517 I HA 0.700 4.868 4.170 -0.004 0.000 0.302 517 I C -1.518 174.840 176.117 0.402 0.000 1.069 517 I CA -1.237 60.284 61.300 0.368 0.000 1.045 517 I CB 2.512 40.686 38.000 0.289 0.000 1.236 517 I HN 0.666 nan 8.210 nan 0.000 0.429 518 I N 5.019 125.757 120.570 0.281 0.000 2.339 518 I HA 0.407 4.574 4.170 -0.004 0.000 0.290 518 I C -0.802 175.446 176.117 0.219 0.000 0.994 518 I CA -0.537 60.898 61.300 0.225 0.000 1.191 518 I CB 1.596 39.690 38.000 0.157 0.000 1.343 518 I HN 0.379 nan 8.210 nan 0.000 0.458 519 L N 6.819 128.224 121.223 0.303 0.000 2.377 519 L HA 0.433 4.771 4.340 -0.004 0.000 0.270 519 L C -0.589 176.421 176.870 0.234 0.000 0.991 519 L CA -0.675 54.333 54.840 0.280 0.000 0.851 519 L CB 1.102 43.386 42.059 0.374 0.000 1.218 519 L HN 0.629 nan 8.230 nan 0.000 0.420 520 N N 2.507 121.280 118.700 0.121 0.000 2.771 520 N HA -0.174 4.564 4.740 -0.004 0.000 0.249 520 N C -0.073 175.468 175.510 0.052 0.000 1.069 520 N CA 0.900 53.996 53.050 0.077 0.000 0.688 520 N CB -0.875 37.659 38.487 0.077 0.000 0.928 520 N HN 0.741 nan 8.380 nan 0.000 0.551 521 E N -3.615 116.609 120.200 0.040 0.000 3.170 521 E HA -0.260 4.088 4.350 -0.004 0.000 0.284 521 E C 0.052 176.634 176.600 -0.029 0.000 0.967 521 E CA 1.783 58.189 56.400 0.010 0.000 0.919 521 E CB -1.875 27.827 29.700 0.003 0.000 1.469 521 E HN 0.688 nan 8.360 nan 0.000 0.444 522 T N -0.372 114.151 114.554 -0.051 0.000 2.916 522 T HA 0.471 4.819 4.350 -0.004 0.000 0.298 522 T C -0.733 173.766 174.700 -0.334 0.000 1.031 522 T CA -0.788 61.187 62.100 -0.209 0.000 0.993 522 T CB 1.275 69.981 68.868 -0.269 0.000 1.045 522 T HN 0.195 nan 8.240 nan 0.000 0.454 523 K N 3.091 123.248 120.400 -0.404 0.000 2.174 523 K HA 0.647 4.965 4.320 -0.004 0.000 0.275 523 K C -1.263 175.014 176.600 -0.539 0.000 1.015 523 K CA -0.605 55.456 56.287 -0.377 0.000 0.933 523 K CB 0.827 32.969 32.500 -0.597 0.000 1.025 523 K HN 0.396 nan 8.250 nan 0.000 0.463 524 F N 1.753 121.762 119.950 0.098 0.000 2.507 524 F HA 0.331 4.855 4.527 -0.004 0.000 0.328 524 F C -0.803 175.108 175.800 0.186 0.000 1.136 524 F CA -0.824 57.256 58.000 0.133 0.000 0.930 524 F CB 1.111 40.230 39.000 0.198 0.000 1.166 524 F HN 0.502 nan 8.300 nan 0.000 0.436 525 W N 3.811 125.261 121.300 0.250 0.000 2.251 525 W HA 0.474 5.132 4.660 -0.004 0.000 0.329 525 W C -0.562 176.153 176.519 0.327 0.000 1.234 525 W CA -0.477 57.031 57.345 0.271 0.000 1.228 525 W CB 0.501 30.051 29.460 0.150 0.000 1.135 525 W HN 0.434 nan 8.180 nan 0.000 0.576 526 Y N -0.391 120.255 120.300 0.576 0.000 2.625 526 Y HA 0.625 5.173 4.550 -0.004 0.000 0.338 526 Y C -0.989 175.145 175.900 0.390 0.000 1.123 526 Y CA -1.893 56.539 58.100 0.553 0.000 1.046 526 Y CB 1.059 40.021 38.460 0.837 0.000 1.299 526 Y HN 0.571 nan 8.280 nan 0.000 0.464 527 Q N 2.391 122.421 119.800 0.384 0.000 2.451 527 Q HA 0.800 5.138 4.340 -0.004 0.000 0.281 527 Q C -1.782 174.338 176.000 0.200 0.000 1.099 527 Q CA -1.206 54.702 55.803 0.174 0.000 0.806 527 Q CB 3.406 32.220 28.738 0.128 0.000 1.419 527 Q HN 0.862 nan 8.270 nan 0.000 0.427 528 M N 2.171 121.809 119.600 0.063 0.000 2.326 528 M HA 0.436 4.914 4.480 -0.004 0.000 0.292 528 M C -1.283 174.940 176.300 -0.129 0.000 1.081 528 M CA -0.897 54.372 55.300 -0.052 0.000 0.919 528 M CB 2.342 34.867 32.600 -0.126 0.000 1.634 528 M HN 0.599 nan 8.290 nan 0.000 0.451 529 I N 5.082 125.568 120.570 -0.141 0.000 2.287 529 I HA 0.342 4.510 4.170 -0.004 0.000 0.290 529 I C -0.402 175.556 176.117 -0.265 0.000 1.069 529 I CA -0.254 60.941 61.300 -0.175 0.000 1.237 529 I CB 0.045 37.962 38.000 -0.139 0.000 1.418 529 I HN 0.634 nan 8.210 nan 0.000 0.481 530 L N 8.240 129.248 121.223 -0.357 0.000 2.334 530 L HA 0.433 4.770 4.340 -0.004 0.000 0.277 530 L C -2.123 174.534 176.870 -0.355 0.000 1.075 530 L CA -1.709 52.810 54.840 -0.535 0.000 0.804 530 L CB 0.742 42.291 42.059 -0.850 0.000 1.174 530 L HN 0.253 nan 8.230 nan 0.000 0.438 531 P HA 0.111 nan 4.420 nan 0.000 0.271 531 P C -2.496 174.743 177.300 -0.102 0.000 1.233 531 P CA -0.896 62.112 63.100 -0.153 0.000 0.789 531 P CB -0.060 31.596 31.700 -0.074 0.000 0.951 532 P HA 0.031 nan 4.420 nan 0.000 0.269 532 P C -0.584 176.636 177.300 -0.134 0.000 1.215 532 P CA 0.354 63.313 63.100 -0.236 0.000 0.780 532 P CB -0.266 31.252 31.700 -0.303 0.000 0.898 533 H N -1.821 117.285 119.070 0.060 0.000 2.713 533 H HA -0.229 4.325 4.556 -0.004 0.000 0.311 533 H C -0.006 175.387 175.328 0.109 0.000 1.175 533 H CA -0.293 55.796 56.048 0.068 0.000 1.143 533 H CB -2.258 27.535 29.762 0.053 0.000 1.434 533 H HN 0.303 nan 8.280 nan 0.000 0.418 534 F N 2.233 122.176 119.950 -0.011 0.000 2.608 534 F HA 0.132 4.657 4.527 -0.004 0.000 0.380 534 F C 0.528 176.348 175.800 0.033 0.000 1.083 534 F CA -0.127 57.827 58.000 -0.077 0.000 1.266 534 F CB 0.529 39.364 39.000 -0.275 0.000 1.076 534 F HN 0.287 nan 8.300 nan 0.000 0.574 535 D N 5.551 125.605 120.400 -0.577 0.000 2.469 535 D HA 0.155 4.793 4.640 -0.004 0.000 0.251 535 D C 0.319 176.217 176.300 -0.671 0.000 1.173 535 D CA -0.650 53.076 54.000 -0.456 0.000 0.882 535 D CB 1.114 41.820 40.800 -0.157 0.000 1.129 535 D HN 0.654 nan 8.370 nan 0.000 0.549 536 K N 1.109 121.122 120.400 -0.644 0.000 2.585 536 K HA -0.091 4.227 4.320 -0.004 0.000 0.194 536 K C 1.101 177.679 176.600 -0.036 0.000 1.037 536 K CA 0.907 57.013 56.287 -0.303 0.000 0.964 536 K CB -0.114 32.374 32.500 -0.020 0.000 0.787 536 K HN 0.196 nan 8.250 nan 0.000 0.488 537 S N -0.049 115.593 115.700 -0.095 0.000 2.593 537 S HA 0.091 4.558 4.470 -0.004 0.000 0.217 537 S C 0.166 174.725 174.600 -0.067 0.000 0.966 537 S CA -0.509 57.662 58.200 -0.049 0.000 0.914 537 S CB 0.003 63.168 63.200 -0.059 0.000 0.776 537 S HN 0.238 nan 8.310 nan 0.000 0.523 538 K N 0.834 121.173 120.400 -0.103 0.000 2.238 538 K HA 0.490 4.808 4.320 -0.004 0.000 0.239 538 K C -0.813 175.716 176.600 -0.118 0.000 0.987 538 K CA -0.998 55.170 56.287 -0.198 0.000 0.857 538 K CB 0.848 33.083 32.500 -0.441 0.000 1.154 538 K HN -0.084 nan 8.250 nan 0.000 0.439 539 K N 2.210 122.495 120.400 -0.191 0.000 2.281 539 K HA 0.280 4.598 4.320 -0.004 0.000 0.272 539 K C -1.018 175.483 176.600 -0.164 0.000 1.048 539 K CA -0.310 55.933 56.287 -0.072 0.000 0.898 539 K CB 0.603 33.056 32.500 -0.077 0.000 1.128 539 K HN 0.474 nan 8.250 nan 0.000 0.460 540 Y N 3.072 123.409 120.300 0.062 0.000 2.420 540 Y HA 0.288 4.836 4.550 -0.004 0.000 0.334 540 Y C -1.747 174.104 175.900 -0.081 0.000 1.094 540 Y CA -2.206 55.907 58.100 0.023 0.000 1.126 540 Y CB 1.193 39.739 38.460 0.144 0.000 1.217 540 Y HN 0.438 nan 8.280 nan 0.000 0.462 541 P HA 0.175 nan 4.420 nan 0.000 0.275 541 P C -1.149 176.024 177.300 -0.211 0.000 1.228 541 P CA -0.202 62.638 63.100 -0.433 0.000 0.786 541 P CB 1.653 32.720 31.700 -1.056 0.000 0.927 542 L N 3.121 124.270 121.223 -0.124 0.000 2.362 542 L HA 0.518 4.856 4.340 -0.004 0.000 0.275 542 L C -1.124 175.936 176.870 0.318 0.000 0.998 542 L CA -1.189 53.713 54.840 0.103 0.000 0.820 542 L CB 1.735 43.860 42.059 0.110 0.000 1.270 542 L HN 0.175 nan 8.230 nan 0.000 0.415 543 L N 5.548 126.967 121.223 0.327 0.000 2.305 543 L HA 0.495 4.833 4.340 -0.004 0.000 0.284 543 L C -1.282 175.816 176.870 0.381 0.000 1.013 543 L CA -0.348 54.738 54.840 0.410 0.000 0.819 543 L CB 1.580 43.834 42.059 0.325 0.000 1.227 543 L HN 0.598 nan 8.230 nan 0.000 0.417 544 L N 5.175 126.670 121.223 0.453 0.000 2.261 544 L HA 0.402 4.740 4.340 -0.004 0.000 0.289 544 L C -0.480 176.628 176.870 0.397 0.000 1.059 544 L CA 0.256 55.348 54.840 0.421 0.000 0.816 544 L CB 0.521 42.864 42.059 0.473 0.000 1.191 544 L HN 0.631 nan 8.230 nan 0.000 0.431 545 D N 4.455 125.070 120.400 0.358 0.000 2.347 545 D HA 0.260 4.898 4.640 -0.004 0.000 0.235 545 D C -0.987 175.404 176.300 0.152 0.000 1.149 545 D CA 0.105 54.257 54.000 0.253 0.000 0.850 545 D CB 1.312 42.327 40.800 0.360 0.000 1.061 545 D HN 0.355 nan 8.370 nan 0.000 0.487 546 V N 5.208 125.130 119.914 0.014 0.000 2.914 546 V HA 0.507 4.625 4.120 -0.004 0.000 0.314 546 V C -1.151 175.015 176.094 0.119 0.000 1.084 546 V CA -0.396 61.968 62.300 0.107 0.000 0.963 546 V CB 1.976 33.866 31.823 0.111 0.000 1.025 546 V HN 0.664 nan 8.190 nan 0.000 0.432 547 Y N 4.600 124.967 120.300 0.111 0.000 3.312 547 Y HA 0.561 5.109 4.550 -0.004 0.000 0.180 547 Y C 1.510 177.533 175.900 0.206 0.000 0.891 547 Y CA 1.238 59.430 58.100 0.153 0.000 1.762 547 Y CB 0.176 38.705 38.460 0.116 0.000 1.441 547 Y HN 1.256 nan 8.280 nan 0.000 0.362 548 A N 1.131 124.057 122.820 0.177 0.000 2.847 548 A HA -0.160 4.158 4.320 -0.004 0.000 0.263 548 A C 0.852 178.263 177.584 -0.288 0.000 1.391 548 A CA 1.039 53.110 52.037 0.056 0.000 0.866 548 A CB -2.424 16.657 19.000 0.135 0.000 1.057 548 A HN 0.988 nan 8.150 nan 0.000 0.673 549 G N -0.521 107.891 108.800 -0.646 0.000 2.616 549 G HA2 0.524 4.482 3.960 -0.004 0.000 0.268 549 G HA3 0.524 4.482 3.960 -0.004 0.000 0.268 549 G C -1.894 172.702 174.900 -0.507 0.000 1.213 549 G CA -0.735 43.550 45.100 -1.359 0.000 0.926 549 G HN 0.416 nan 8.290 nan 0.000 0.523 550 P HA 0.021 nan 4.420 nan 0.000 0.263 550 P C 0.510 177.658 177.300 -0.253 0.000 1.195 550 P CA 0.290 63.115 63.100 -0.458 0.000 0.762 550 P CB 0.665 31.715 31.700 -1.083 0.000 0.799 551 C N 2.390 121.605 119.300 -0.141 0.000 4.507 551 C HA -0.135 4.323 4.460 -0.004 0.000 0.285 551 C C 1.042 176.048 174.990 0.026 0.000 1.335 551 C CA 1.085 59.995 59.018 -0.180 0.000 1.953 551 C CB -2.611 24.866 27.740 -0.438 0.000 1.262 551 C HN 0.822 nan 8.230 nan 0.000 0.776 552 S N -0.022 115.751 115.700 0.122 0.000 2.652 552 S HA 0.636 5.104 4.470 -0.004 0.000 0.270 552 S C -0.611 174.140 174.600 0.252 0.000 1.243 552 S CA 0.029 58.381 58.200 0.254 0.000 0.999 552 S CB 1.738 65.161 63.200 0.371 0.000 0.973 552 S HN 0.808 nan 8.310 nan 0.000 0.544 553 Q N -0.001 119.970 119.800 0.286 0.000 2.526 553 Q HA 0.333 4.671 4.340 -0.004 0.000 0.238 553 Q C -0.726 175.399 176.000 0.207 0.000 0.866 553 Q CA -0.532 55.436 55.803 0.274 0.000 0.801 553 Q CB 0.909 29.868 28.738 0.369 0.000 1.380 553 Q HN 0.681 nan 8.270 nan 0.000 0.446 554 K N 0.938 121.461 120.400 0.204 0.000 2.358 554 K HA 0.325 4.643 4.320 -0.004 0.000 0.197 554 K C -0.346 176.363 176.600 0.181 0.000 1.025 554 K CA 0.268 56.667 56.287 0.187 0.000 1.104 554 K CB 1.398 34.034 32.500 0.226 0.000 0.855 554 K HN 0.475 nan 8.250 nan 0.000 0.531 555 A N 2.707 125.642 122.820 0.191 0.000 2.316 555 A HA 0.431 4.749 4.320 -0.004 0.000 0.324 555 A C -0.819 176.844 177.584 0.131 0.000 1.375 555 A CA -0.570 51.583 52.037 0.194 0.000 0.882 555 A CB 0.186 19.357 19.000 0.285 0.000 1.152 555 A HN 0.236 nan 8.150 nan 0.000 0.512 556 D N -0.116 120.339 120.400 0.091 0.000 2.752 556 D HA 0.409 5.047 4.640 -0.004 0.000 0.313 556 D C 0.393 176.722 176.300 0.047 0.000 1.225 556 D CA 0.282 54.328 54.000 0.075 0.000 0.976 556 D CB 0.313 41.172 40.800 0.099 0.000 1.443 556 D HN 0.174 nan 8.370 nan 0.000 0.515 557 T N -2.180 112.425 114.554 0.085 0.000 3.206 557 T HA 0.338 4.686 4.350 -0.004 0.000 0.253 557 T C 0.374 175.054 174.700 -0.033 0.000 1.042 557 T CA -0.366 61.772 62.100 0.064 0.000 0.931 557 T CB -0.741 68.206 68.868 0.133 0.000 1.029 557 T HN 0.261 nan 8.240 nan 0.000 0.564 558 V N 2.217 122.010 119.914 -0.202 0.000 2.732 558 V HA 0.401 4.519 4.120 -0.004 0.000 0.297 558 V C -0.041 176.008 176.094 -0.074 0.000 1.060 558 V CA -1.043 61.094 62.300 -0.272 0.000 1.038 558 V CB 0.614 32.139 31.823 -0.496 0.000 1.003 558 V HN 0.569 nan 8.190 nan 0.000 0.481 559 F N 5.691 125.542 119.950 -0.165 0.000 2.411 559 F HA 0.616 5.141 4.527 -0.004 0.000 0.355 559 F C 0.368 176.109 175.800 -0.099 0.000 1.117 559 F CA -0.319 57.610 58.000 -0.118 0.000 1.139 559 F CB 0.374 39.311 39.000 -0.105 0.000 1.120 559 F HN 0.420 nan 8.300 nan 0.000 0.493 560 R N 6.344 126.398 120.500 -0.744 0.000 2.744 560 R HA 0.585 4.923 4.340 -0.004 0.000 0.279 560 R C -1.580 174.263 176.300 -0.762 0.000 0.977 560 R CA -1.102 54.656 56.100 -0.571 0.000 0.906 560 R CB 2.207 32.345 30.300 -0.270 0.000 1.197 560 R HN 0.662 nan 8.270 nan 0.000 0.463 561 L N 3.941 124.899 121.223 -0.442 0.000 2.337 561 L HA 0.383 4.721 4.340 -0.004 0.000 0.269 561 L C -0.723 176.089 176.870 -0.098 0.000 1.018 561 L CA -0.652 53.988 54.840 -0.333 0.000 0.876 561 L CB 0.458 42.467 42.059 -0.084 0.000 1.236 561 L HN 0.774 nan 8.230 nan 0.000 0.436 562 N N 0.208 118.763 118.700 -0.241 0.000 3.439 562 N HA 0.168 4.906 4.740 -0.004 0.000 0.343 562 N C 0.258 175.377 175.510 -0.652 0.000 1.597 562 N CA -0.856 51.943 53.050 -0.419 0.000 0.733 562 N CB 0.194 38.581 38.487 -0.167 0.000 1.973 562 N HN 0.264 nan 8.380 nan 0.000 0.646 563 W N 0.606 121.293 121.300 -1.022 0.000 2.342 563 W HA 0.154 4.811 4.660 -0.004 0.000 0.297 563 W C 2.030 178.479 176.519 -0.117 0.000 1.213 563 W CA 2.789 59.783 57.345 -0.584 0.000 1.251 563 W CB -0.989 28.250 29.460 -0.369 0.000 1.136 563 W HN 0.697 nan 8.180 nan 0.000 0.526 564 A N -0.683 122.084 122.820 -0.088 0.000 2.019 564 A HA -0.171 4.147 4.320 -0.004 0.000 0.219 564 A C 1.930 179.392 177.584 -0.203 0.000 1.164 564 A CA 2.268 54.198 52.037 -0.178 0.000 0.644 564 A CB -1.170 17.813 19.000 -0.028 0.000 0.805 564 A HN 0.288 nan 8.150 nan 0.000 0.449 565 T N -1.195 113.246 114.554 -0.188 0.000 2.674 565 T HA -0.188 4.159 4.350 -0.004 0.000 0.265 565 T C 1.819 176.508 174.700 -0.018 0.000 1.039 565 T CA 1.708 63.671 62.100 -0.229 0.000 1.150 565 T CB -0.500 68.047 68.868 -0.535 0.000 0.864 565 T HN 0.677 nan 8.240 nan 0.000 0.427 566 Y N 2.211 122.574 120.300 0.105 0.000 2.128 566 Y HA -0.094 4.454 4.550 -0.003 0.000 0.284 566 Y C 1.957 177.840 175.900 -0.028 0.000 1.154 566 Y CA 1.048 59.261 58.100 0.189 0.000 1.149 566 Y CB -0.809 37.751 38.460 0.166 0.000 0.976 566 Y HN 0.130 nan 8.280 nan 0.000 0.505 567 L N 0.184 120.976 121.223 -0.718 0.000 2.042 567 L HA -0.222 4.116 4.340 -0.004 0.000 0.210 567 L C 2.859 179.469 176.870 -0.434 0.000 1.076 567 L CA 1.371 55.730 54.840 -0.801 0.000 0.749 567 L CB -1.102 40.536 42.059 -0.702 0.000 0.893 567 L HN 0.404 nan 8.230 nan 0.000 0.432 568 A N -0.945 121.701 122.820 -0.290 0.000 1.854 568 A HA -0.202 4.116 4.320 -0.004 0.000 0.214 568 A C 2.539 180.039 177.584 -0.139 0.000 1.192 568 A CA 1.861 53.782 52.037 -0.193 0.000 0.611 568 A CB -0.742 18.143 19.000 -0.191 0.000 0.832 568 A HN 0.351 nan 8.150 nan 0.000 0.442 569 S N -1.323 114.312 115.700 -0.109 0.000 2.368 569 S HA -0.117 4.351 4.470 -0.004 0.000 0.224 569 S C 1.909 176.510 174.600 0.003 0.000 1.029 569 S CA 2.310 60.494 58.200 -0.026 0.000 0.988 569 S CB -0.356 62.883 63.200 0.065 0.000 0.838 569 S HN 0.582 nan 8.310 nan 0.000 0.462 570 T N 0.828 115.351 114.554 -0.052 0.000 3.046 570 T HA 0.212 4.560 4.350 -0.004 0.000 0.242 570 T C 1.336 175.988 174.700 -0.079 0.000 1.018 570 T CA 0.356 62.446 62.100 -0.017 0.000 1.131 570 T CB -0.088 68.838 68.868 0.097 0.000 0.904 570 T HN 0.248 nan 8.240 nan 0.000 0.459 571 E N 1.493 121.549 120.200 -0.239 0.000 2.489 571 E HA 0.155 4.503 4.350 -0.004 0.000 0.193 571 E C -0.027 176.543 176.600 -0.050 0.000 1.057 571 E CA -0.091 56.218 56.400 -0.151 0.000 0.866 571 E CB -0.475 29.071 29.700 -0.257 0.000 0.916 571 E HN 0.539 nan 8.360 nan 0.000 0.500 572 N N 0.564 119.245 118.700 -0.032 0.000 2.727 572 N HA -0.201 4.537 4.740 -0.004 0.000 0.249 572 N C -0.736 174.829 175.510 0.092 0.000 1.048 572 N CA 0.257 53.350 53.050 0.072 0.000 0.714 572 N CB -1.183 37.400 38.487 0.160 0.000 0.959 572 N HN 0.221 nan 8.380 nan 0.000 0.544 573 I N 0.838 121.395 120.570 -0.021 0.000 2.392 573 I HA 0.340 4.508 4.170 -0.004 0.000 0.295 573 I C 0.629 176.708 176.117 -0.065 0.000 0.985 573 I CA -0.825 60.471 61.300 -0.006 0.000 1.221 573 I CB 1.324 39.327 38.000 0.004 0.000 1.366 573 I HN 0.027 nan 8.210 nan 0.000 0.467 574 I N 6.312 126.858 120.570 -0.040 0.000 2.371 574 I HA 0.178 4.346 4.170 -0.004 0.000 0.290 574 I C -0.418 175.677 176.117 -0.037 0.000 1.028 574 I CA -0.451 60.785 61.300 -0.107 0.000 1.345 574 I CB 1.143 39.089 38.000 -0.090 0.000 1.407 574 I HN 0.200 nan 8.210 nan 0.000 0.501 575 V N 6.730 126.606 119.914 -0.062 0.000 2.357 575 V HA 0.607 4.725 4.120 -0.004 0.000 0.284 575 V C 0.350 176.460 176.094 0.027 0.000 1.018 575 V CA -0.434 61.879 62.300 0.023 0.000 0.841 575 V CB 1.158 32.987 31.823 0.010 0.000 0.991 575 V HN 0.840 nan 8.190 nan 0.000 0.437 576 A N 4.001 126.868 122.820 0.078 0.000 2.330 576 A HA 0.955 5.273 4.320 -0.004 0.000 0.329 576 A C -0.192 177.538 177.584 0.245 0.000 1.135 576 A CA -0.528 51.547 52.037 0.062 0.000 0.817 576 A CB 1.755 20.623 19.000 -0.219 0.000 1.269 576 A HN 0.685 nan 8.150 nan 0.000 0.469 577 S N -0.286 115.611 115.700 0.327 0.000 2.540 577 S HA 0.727 5.195 4.470 -0.004 0.000 0.275 577 S C -1.559 173.404 174.600 0.605 0.000 1.123 577 S CA -0.295 58.150 58.200 0.408 0.000 0.907 577 S CB 1.295 64.675 63.200 0.299 0.000 1.081 577 S HN 0.769 nan 8.310 nan 0.000 0.476 578 F N 1.931 122.123 119.950 0.403 0.000 2.569 578 F HA 0.485 5.010 4.527 -0.004 0.000 0.312 578 F C -1.527 174.472 175.800 0.331 0.000 1.109 578 F CA -0.752 57.506 58.000 0.431 0.000 0.919 578 F CB 1.519 40.744 39.000 0.375 0.000 1.211 578 F HN 0.396 nan 8.300 nan 0.000 0.446 579 D N 4.625 124.813 120.400 -0.352 0.000 2.473 579 D HA 0.372 5.010 4.640 -0.004 0.000 0.226 579 D C 0.334 176.359 176.300 -0.459 0.000 1.089 579 D CA 0.106 53.988 54.000 -0.196 0.000 0.883 579 D CB 1.492 42.326 40.800 0.057 0.000 1.029 579 D HN 0.763 nan 8.370 nan 0.000 0.517 580 G N 1.241 109.848 108.800 -0.321 0.000 2.782 580 G HA2 0.289 4.247 3.960 -0.004 0.000 0.201 580 G HA3 0.289 4.247 3.960 -0.004 0.000 0.201 580 G C 0.178 175.069 174.900 -0.015 0.000 1.374 580 G CA -0.701 44.224 45.100 -0.292 0.000 1.039 580 G HN 0.283 nan 8.290 nan 0.000 0.576 581 R N -0.719 119.754 120.500 -0.045 0.000 2.638 581 R HA 0.338 4.676 4.340 -0.004 0.000 0.268 581 R C 1.342 177.716 176.300 0.123 0.000 1.006 581 R CA 1.575 57.742 56.100 0.111 0.000 1.088 581 R CB 0.327 30.669 30.300 0.071 0.000 0.950 581 R HN 1.077 nan 8.270 nan 0.000 0.419 582 G N 1.046 109.917 108.800 0.118 0.000 2.268 582 G HA2 -0.346 3.612 3.960 -0.004 0.000 0.240 582 G HA3 -0.346 3.612 3.960 -0.004 0.000 0.240 582 G C 0.185 175.105 174.900 0.033 0.000 1.010 582 G CA 0.217 45.367 45.100 0.084 0.000 0.618 582 G HN 0.751 nan 8.290 nan 0.000 0.516 583 S N 0.423 116.154 115.700 0.052 0.000 2.587 583 S HA 0.600 5.068 4.470 -0.004 0.000 0.260 583 S C 0.881 175.465 174.600 -0.027 0.000 1.353 583 S CA 0.566 58.792 58.200 0.043 0.000 0.995 583 S CB 1.606 64.862 63.200 0.094 0.000 0.912 583 S HN 1.733 nan 8.310 nan 0.000 0.568 584 G N -1.139 107.608 108.800 -0.088 0.000 2.601 584 G HA2 0.510 4.468 3.960 -0.004 0.000 0.317 584 G HA3 0.510 4.468 3.960 -0.004 0.000 0.317 584 G C -1.029 173.733 174.900 -0.231 0.000 1.246 584 G CA -1.057 43.829 45.100 -0.357 0.000 1.012 584 G HN 0.942 nan 8.290 nan 0.000 0.494 585 Y N -2.260 118.042 120.300 0.003 0.000 4.490 585 Y HA -0.212 4.335 4.550 -0.004 0.000 0.233 585 Y C 1.292 177.195 175.900 0.005 0.000 1.101 585 Y CA 1.038 59.143 58.100 0.009 0.000 2.010 585 Y CB -2.258 36.224 38.460 0.037 0.000 1.622 585 Y HN 0.550 nan 8.280 nan 0.000 0.675 586 Q N -0.166 119.644 119.800 0.016 0.000 2.055 586 Q HA 0.503 4.841 4.340 -0.004 0.000 0.226 586 Q C 0.865 176.722 176.000 -0.238 0.000 0.805 586 Q CA 0.159 55.973 55.803 0.018 0.000 1.072 586 Q CB 1.623 30.381 28.738 0.033 0.000 1.219 586 Q HN 0.599 nan 8.270 nan 0.000 0.451 587 G N 0.868 109.392 108.800 -0.460 0.000 2.692 587 G HA2 -0.181 3.777 3.960 -0.004 0.000 0.686 587 G HA3 -0.181 3.777 3.960 -0.004 0.000 0.686 587 G C -0.440 174.082 174.900 -0.629 0.000 1.243 587 G CA -0.590 43.962 45.100 -0.912 0.000 0.782 587 G HN 0.127 nan 8.290 nan 0.000 0.625 588 D N 0.187 120.179 120.400 -0.679 0.000 2.264 588 D HA -0.055 4.582 4.640 -0.004 0.000 0.208 588 D C 2.237 178.234 176.300 -0.504 0.000 0.966 588 D CA 1.415 54.959 54.000 -0.760 0.000 0.864 588 D CB 0.078 40.383 40.800 -0.825 0.000 0.933 588 D HN 0.536 nan 8.370 nan 0.000 0.499 589 K N 0.912 121.085 120.400 -0.379 0.000 2.032 589 K HA -0.071 4.247 4.320 -0.004 0.000 0.209 589 K C 1.878 178.394 176.600 -0.139 0.000 1.048 589 K CA 1.054 57.213 56.287 -0.213 0.000 0.927 589 K CB -0.358 32.030 32.500 -0.187 0.000 0.712 589 K HN 0.142 nan 8.250 nan 0.000 0.441 590 I N -0.255 120.220 120.570 -0.157 0.000 2.400 590 I HA -0.120 4.048 4.170 -0.004 0.000 0.248 590 I C 2.528 178.626 176.117 -0.033 0.000 1.109 590 I CA 0.926 62.204 61.300 -0.036 0.000 1.425 590 I CB -0.127 37.871 38.000 -0.004 0.000 1.094 590 I HN 0.284 nan 8.210 nan 0.000 0.425 591 M N 0.062 119.569 119.600 -0.155 0.000 2.132 591 M HA -0.201 4.277 4.480 -0.004 0.000 0.263 591 M C 1.756 178.082 176.300 0.044 0.000 1.065 591 M CA 1.920 57.157 55.300 -0.107 0.000 1.122 591 M CB -0.242 32.198 32.600 -0.267 0.000 1.365 591 M HN 0.260 nan 8.290 nan 0.000 0.411 592 H N -0.784 118.179 119.070 -0.178 0.000 2.533 592 H HA 0.198 4.752 4.556 -0.004 0.000 0.271 592 H C 1.773 177.113 175.328 0.020 0.000 1.000 592 H CA 0.065 56.021 56.048 -0.152 0.000 1.149 592 H CB 0.179 29.761 29.762 -0.299 0.000 1.375 592 H HN 0.498 nan 8.280 nan 0.000 0.582 593 A N 1.480 124.399 122.820 0.166 0.000 2.019 593 A HA -0.120 4.198 4.320 -0.004 0.000 0.219 593 A C 2.043 179.830 177.584 0.339 0.000 1.164 593 A CA 1.039 53.199 52.037 0.204 0.000 0.644 593 A CB -0.591 18.492 19.000 0.139 0.000 0.805 593 A HN 0.583 nan 8.150 nan 0.000 0.449 594 I N -3.153 117.582 120.570 0.275 0.000 3.928 594 I HA 0.153 4.321 4.170 -0.004 0.000 0.335 594 I C 0.428 176.623 176.117 0.130 0.000 1.325 594 I CA -0.486 60.929 61.300 0.191 0.000 1.107 594 I CB -0.567 37.515 38.000 0.136 0.000 1.014 594 I HN 0.213 nan 8.210 nan 0.000 0.400 595 N N 3.108 121.932 118.700 0.206 0.000 2.357 595 N HA -0.104 4.633 4.740 -0.004 0.000 0.257 595 N C 0.278 175.815 175.510 0.044 0.000 1.250 595 N CA 0.430 53.601 53.050 0.202 0.000 0.862 595 N CB 0.340 38.904 38.487 0.129 0.000 1.066 595 N HN 0.411 nan 8.380 nan 0.000 0.468 596 R N 0.509 121.015 120.500 0.010 0.000 4.016 596 R HA -0.205 4.133 4.340 -0.004 0.000 0.385 596 R C -0.263 175.912 176.300 -0.209 0.000 1.158 596 R CA 1.038 57.096 56.100 -0.070 0.000 1.117 596 R CB -0.851 29.423 30.300 -0.043 0.000 1.635 596 R HN 0.587 nan 8.270 nan 0.000 0.560 597 R N 0.729 121.082 120.500 -0.245 0.000 2.795 597 R HA 0.351 4.689 4.340 -0.004 0.000 0.320 597 R C -0.537 175.670 176.300 -0.155 0.000 1.223 597 R CA -0.178 55.606 56.100 -0.526 0.000 1.305 597 R CB 0.566 30.558 30.300 -0.513 0.000 1.318 597 R HN 0.062 nan 8.270 nan 0.000 0.636 598 L N -0.423 120.823 121.223 0.039 0.000 2.461 598 L HA 0.280 4.618 4.340 -0.004 0.000 0.272 598 L C 1.298 178.413 176.870 0.408 0.000 1.197 598 L CA 0.703 55.615 54.840 0.121 0.000 0.836 598 L CB 0.645 42.558 42.059 -0.243 0.000 1.105 598 L HN 0.685 nan 8.230 nan 0.000 0.477 599 G N 0.730 109.802 108.800 0.453 0.000 2.137 599 G HA2 -0.274 3.684 3.960 -0.004 0.000 0.237 599 G HA3 -0.274 3.684 3.960 -0.004 0.000 0.237 599 G C 0.382 175.374 174.900 0.153 0.000 1.002 599 G CA 0.505 45.822 45.100 0.361 0.000 0.702 599 G HN 0.851 nan 8.290 nan 0.000 0.515 600 T N -3.642 110.957 114.554 0.076 0.000 2.995 600 T HA 0.487 4.835 4.350 -0.004 0.000 0.170 600 T C 1.621 176.324 174.700 0.004 0.000 0.844 600 T CA 0.875 62.927 62.100 -0.080 0.000 1.137 600 T CB -0.028 68.595 68.868 -0.408 0.000 2.193 600 T HN 0.157 nan 8.240 nan 0.000 0.384 601 F N 3.512 123.496 119.950 0.056 0.000 2.120 601 F HA 0.024 4.549 4.527 -0.004 0.000 0.300 601 F C 2.804 178.631 175.800 0.043 0.000 1.095 601 F CA 1.404 59.426 58.000 0.037 0.000 1.249 601 F CB -0.778 38.241 39.000 0.031 0.000 0.995 601 F HN 0.550 nan 8.300 nan 0.000 0.480 602 E N 0.670 121.024 120.200 0.257 0.000 2.204 602 E HA -0.118 4.230 4.350 -0.004 0.000 0.194 602 E C 2.060 178.759 176.600 0.165 0.000 0.989 602 E CA 1.350 57.867 56.400 0.194 0.000 0.824 602 E CB -0.907 28.903 29.700 0.183 0.000 0.756 602 E HN 0.309 nan 8.360 nan 0.000 0.477 603 V N 1.505 121.498 119.914 0.132 0.000 2.379 603 V HA -0.169 3.949 4.120 -0.004 0.000 0.243 603 V C 2.277 178.407 176.094 0.060 0.000 1.035 603 V CA 1.906 64.239 62.300 0.056 0.000 1.035 603 V CB -0.475 31.337 31.823 -0.018 0.000 0.673 603 V HN 0.190 nan 8.190 nan 0.000 0.457 604 E N 0.325 120.578 120.200 0.088 0.000 2.051 604 E HA -0.245 4.103 4.350 -0.004 0.000 0.192 604 E C 1.929 178.559 176.600 0.050 0.000 0.991 604 E CA 1.596 58.044 56.400 0.079 0.000 0.799 604 E CB -0.243 29.534 29.700 0.128 0.000 0.748 604 E HN 0.540 nan 8.360 nan 0.000 0.449 605 D N 0.371 120.812 120.400 0.069 0.000 2.182 605 D HA -0.173 4.464 4.640 -0.004 0.000 0.201 605 D C 1.929 178.223 176.300 -0.009 0.000 0.986 605 D CA 0.973 54.983 54.000 0.017 0.000 0.847 605 D CB -0.167 40.675 40.800 0.070 0.000 0.942 605 D HN 0.028 nan 8.370 nan 0.000 0.467 606 Q N 0.051 119.908 119.800 0.095 0.000 2.119 606 Q HA 0.009 4.347 4.340 -0.004 0.000 0.201 606 Q C 2.100 178.141 176.000 0.069 0.000 0.972 606 Q CA 0.807 56.681 55.803 0.119 0.000 0.847 606 Q CB -0.132 28.691 28.738 0.142 0.000 0.903 606 Q HN 0.353 nan 8.270 nan 0.000 0.433 607 I N -0.121 120.496 120.570 0.079 0.000 2.233 607 I HA -0.199 3.969 4.170 -0.004 0.000 0.243 607 I C 2.133 178.222 176.117 -0.047 0.000 1.093 607 I CA 1.193 62.585 61.300 0.152 0.000 1.380 607 I CB -0.254 37.822 38.000 0.127 0.000 1.067 607 I HN 0.216 nan 8.210 nan 0.000 0.413 608 E N 1.707 121.823 120.200 -0.140 0.000 2.110 608 E HA -0.203 4.145 4.350 -0.004 0.000 0.193 608 E C 2.069 178.385 176.600 -0.473 0.000 0.988 608 E CA 1.679 57.930 56.400 -0.249 0.000 0.804 608 E CB -0.170 29.399 29.700 -0.218 0.000 0.745 608 E HN 0.409 nan 8.360 nan 0.000 0.458 609 A N 0.930 123.341 122.820 -0.681 0.000 1.883 609 A HA -0.089 4.229 4.320 -0.004 0.000 0.217 609 A C 2.494 179.436 177.584 -1.070 0.000 1.186 609 A CA 2.357 53.663 52.037 -1.219 0.000 0.624 609 A CB -1.189 16.996 19.000 -1.358 0.000 0.822 609 A HN 0.403 nan 8.150 nan 0.000 0.444 610 A N -0.146 122.418 122.820 -0.426 0.000 1.883 610 A HA -0.224 4.094 4.320 -0.004 0.000 0.217 610 A C 2.254 179.669 177.584 -0.282 0.000 1.186 610 A CA 1.730 53.656 52.037 -0.185 0.000 0.624 610 A CB -0.561 18.356 19.000 -0.138 0.000 0.822 610 A HN 0.576 nan 8.150 nan 0.000 0.444 611 R N -0.919 119.397 120.500 -0.306 0.000 2.097 611 R HA -0.174 4.164 4.340 -0.004 0.000 0.236 611 R C 2.464 178.596 176.300 -0.280 0.000 1.135 611 R CA 1.588 57.535 56.100 -0.255 0.000 0.934 611 R CB -0.501 29.670 30.300 -0.215 0.000 0.846 611 R HN 0.570 nan 8.270 nan 0.000 0.431 612 Q N -0.051 119.508 119.800 -0.403 0.000 2.133 612 Q HA -0.187 4.151 4.340 -0.004 0.000 0.208 612 Q C 2.100 177.915 176.000 -0.308 0.000 0.991 612 Q CA 1.631 57.194 55.803 -0.399 0.000 0.867 612 Q CB -0.312 28.081 28.738 -0.574 0.000 0.911 612 Q HN 0.302 nan 8.270 nan 0.000 0.417 613 F N 0.985 120.765 119.950 -0.283 0.000 2.146 613 F HA -0.141 4.384 4.527 -0.004 0.000 0.298 613 F C 2.767 178.365 175.800 -0.336 0.000 1.096 613 F CA 1.205 59.021 58.000 -0.306 0.000 1.275 613 F CB -1.361 37.505 39.000 -0.223 0.000 1.008 613 F HN 0.102 nan 8.300 nan 0.000 0.480 614 S N -0.020 115.629 115.700 -0.085 0.000 2.382 614 S HA -0.171 4.297 4.470 -0.004 0.000 0.228 614 S C 1.742 176.231 174.600 -0.184 0.000 1.027 614 S CA 0.894 59.006 58.200 -0.146 0.000 0.991 614 S CB -0.465 62.654 63.200 -0.135 0.000 0.823 614 S HN 0.164 nan 8.310 nan 0.000 0.469 615 K N 1.176 121.475 120.400 -0.169 0.000 2.574 615 K HA 0.234 4.552 4.320 -0.004 0.000 0.193 615 K C 1.413 177.913 176.600 -0.167 0.000 1.035 615 K CA 0.401 56.600 56.287 -0.147 0.000 0.982 615 K CB -0.639 31.787 32.500 -0.123 0.000 0.795 615 K HN 0.566 nan 8.250 nan 0.000 0.491 616 M N -0.783 118.654 119.600 -0.273 0.000 2.618 616 M HA 0.043 4.521 4.480 -0.004 0.000 0.240 616 M C 0.998 177.076 176.300 -0.370 0.000 1.123 616 M CA 0.716 55.812 55.300 -0.340 0.000 1.060 616 M CB 0.058 32.333 32.600 -0.541 0.000 1.535 616 M HN 0.374 nan 8.290 nan 0.000 0.507 617 G N 1.293 109.908 108.800 -0.310 0.000 2.205 617 G HA2 -0.309 3.649 3.960 -0.004 0.000 0.261 617 G HA3 -0.309 3.649 3.960 -0.004 0.000 0.261 617 G C 0.389 175.262 174.900 -0.044 0.000 0.980 617 G CA 0.523 45.539 45.100 -0.140 0.000 0.632 617 G HN 0.626 nan 8.290 nan 0.000 0.533 618 F N -0.091 119.924 119.950 0.108 0.000 2.708 618 F HA 0.770 5.294 4.527 -0.004 0.000 0.300 618 F C 0.004 175.931 175.800 0.212 0.000 1.118 618 F CA -1.548 56.557 58.000 0.174 0.000 1.307 618 F CB 0.125 39.305 39.000 0.301 0.000 0.986 618 F HN 0.075 nan 8.300 nan 0.000 0.522 619 V N 1.299 121.231 119.914 0.029 0.000 2.487 619 V HA 0.222 4.340 4.120 -0.004 0.000 0.298 619 V C -0.724 175.362 176.094 -0.013 0.000 1.028 619 V CA -0.779 61.550 62.300 0.048 0.000 0.860 619 V CB 1.678 33.466 31.823 -0.057 0.000 0.991 619 V HN 0.097 nan 8.190 nan 0.000 0.427 620 D N 3.990 124.380 120.400 -0.017 0.000 2.359 620 D HA 0.062 4.700 4.640 -0.004 0.000 0.250 620 D C 1.231 177.486 176.300 -0.074 0.000 1.264 620 D CA 0.314 54.276 54.000 -0.065 0.000 0.911 620 D CB 0.364 41.101 40.800 -0.104 0.000 1.056 620 D HN 0.491 nan 8.370 nan 0.000 0.499 621 N N 2.922 121.579 118.700 -0.071 0.000 2.417 621 N HA -0.159 4.579 4.740 -0.004 0.000 0.187 621 N C 0.879 176.351 175.510 -0.063 0.000 1.027 621 N CA 0.822 53.824 53.050 -0.079 0.000 0.891 621 N CB 0.287 38.726 38.487 -0.081 0.000 0.956 621 N HN 0.507 nan 8.380 nan 0.000 0.442 622 K N 0.397 120.767 120.400 -0.050 0.000 2.400 622 K HA 0.085 4.403 4.320 -0.004 0.000 0.194 622 K C 0.354 176.960 176.600 0.010 0.000 1.033 622 K CA 0.382 56.657 56.287 -0.020 0.000 1.021 622 K CB 0.381 32.870 32.500 -0.019 0.000 0.808 622 K HN 0.001 nan 8.250 nan 0.000 0.505 623 R N 1.212 121.690 120.500 -0.036 0.000 2.835 623 R HA 0.338 4.676 4.340 -0.004 0.000 0.290 623 R C -0.988 175.313 176.300 0.000 0.000 1.410 623 R CA -0.085 55.994 56.100 -0.036 0.000 1.590 623 R CB 0.565 30.647 30.300 -0.363 0.000 1.288 623 R HN -0.012 nan 8.270 nan 0.000 0.637 624 I N 1.134 121.812 120.570 0.179 0.000 2.355 624 I HA 0.539 4.707 4.170 -0.004 0.000 0.288 624 I C 0.096 176.504 176.117 0.485 0.000 0.999 624 I CA -0.730 60.712 61.300 0.237 0.000 1.163 624 I CB 1.755 39.735 38.000 -0.033 0.000 1.316 624 I HN 0.291 nan 8.210 nan 0.000 0.454 625 A N 7.343 130.551 122.820 0.647 0.000 2.350 625 A HA 0.906 5.224 4.320 -0.004 0.000 0.318 625 A C -0.976 176.958 177.584 0.584 0.000 1.132 625 A CA -0.641 51.732 52.037 0.560 0.000 0.811 625 A CB 1.940 21.113 19.000 0.287 0.000 1.313 625 A HN 0.739 nan 8.150 nan 0.000 0.454 626 I N 0.645 121.466 120.570 0.419 0.000 2.769 626 I HA 0.737 4.905 4.170 -0.004 0.000 0.298 626 I C -1.874 174.484 176.117 0.402 0.000 1.128 626 I CA -0.619 60.850 61.300 0.280 0.000 1.031 626 I CB 1.740 39.585 38.000 -0.258 0.000 1.235 626 I HN 0.935 nan 8.210 nan 0.000 0.423 627 W N 6.856 128.276 121.300 0.200 0.000 3.146 627 W HA 0.806 5.464 4.660 -0.004 0.000 0.319 627 W C -1.607 175.067 176.519 0.258 0.000 1.258 627 W CA -0.895 56.591 57.345 0.236 0.000 1.189 627 W CB 0.944 30.601 29.460 0.328 0.000 1.412 627 W HN 0.844 nan 8.180 nan 0.000 0.567 628 G N 0.911 109.567 108.800 -0.240 0.000 2.547 628 G HA2 0.459 4.417 3.960 -0.004 0.000 0.291 628 G HA3 0.459 4.417 3.960 -0.004 0.000 0.291 628 G C -2.770 172.047 174.900 -0.139 0.000 1.471 628 G CA -0.742 44.066 45.100 -0.486 0.000 0.798 628 G HN 0.628 nan 8.290 nan 0.000 0.504 629 W N 0.927 122.070 121.300 -0.262 0.000 2.689 629 W HA 0.624 5.281 4.660 -0.004 0.000 0.340 629 W C 0.837 177.390 176.519 0.058 0.000 1.060 629 W CA 0.445 57.749 57.345 -0.069 0.000 1.218 629 W CB 1.914 31.344 29.460 -0.049 0.000 1.410 629 W HN 1.234 nan 8.180 nan 0.000 0.528 630 S N 2.201 118.183 115.700 0.471 0.000 4.116 630 S HA -0.427 4.041 4.470 -0.004 0.000 0.623 630 S C 1.108 175.834 174.600 0.209 0.000 1.933 630 S CA 1.747 60.224 58.200 0.461 0.000 4.224 630 S CB -1.837 61.777 63.200 0.689 0.000 0.208 630 S HN 0.726 nan 8.310 nan 0.000 0.527 631 Y N 2.423 122.734 120.300 0.018 0.000 2.256 631 Y HA 0.020 4.568 4.550 -0.004 0.000 0.288 631 Y C 2.374 178.165 175.900 -0.182 0.000 1.155 631 Y CA 2.550 60.527 58.100 -0.204 0.000 1.203 631 Y CB -1.035 37.052 38.460 -0.622 0.000 0.980 631 Y HN 0.532 nan 8.280 nan 0.000 0.530 632 G N -1.053 107.730 108.800 -0.029 0.000 2.432 632 G HA2 -0.223 3.735 3.960 -0.004 0.000 0.219 632 G HA3 -0.223 3.735 3.960 -0.004 0.000 0.219 632 G C 1.907 176.829 174.900 0.036 0.000 1.135 632 G CA 0.746 45.864 45.100 0.029 0.000 0.767 632 G HN 0.574 nan 8.290 nan 0.000 0.550 633 G N -0.209 108.629 108.800 0.063 0.000 2.408 633 G HA2 -0.199 3.758 3.960 -0.004 0.000 0.217 633 G HA3 -0.199 3.758 3.960 -0.004 0.000 0.217 633 G C 1.572 176.506 174.900 0.056 0.000 1.150 633 G CA 1.049 46.179 45.100 0.051 0.000 0.776 633 G HN 0.416 nan 8.290 nan 0.000 0.542 634 Y N 1.444 121.651 120.300 -0.155 0.000 2.089 634 Y HA -0.123 4.425 4.550 -0.004 0.000 0.282 634 Y C 2.776 178.594 175.900 -0.138 0.000 1.139 634 Y CA 1.636 59.596 58.100 -0.233 0.000 1.123 634 Y CB -0.606 37.557 38.460 -0.494 0.000 0.980 634 Y HN 0.017 nan 8.280 nan 0.000 0.493 635 V N -0.000 119.796 119.914 -0.196 0.000 2.332 635 V HA -0.364 3.753 4.120 -0.004 0.000 0.248 635 V C 2.343 178.324 176.094 -0.188 0.000 1.055 635 V CA 2.511 64.678 62.300 -0.221 0.000 1.038 635 V CB -1.241 30.599 31.823 0.028 0.000 0.651 635 V HN 0.531 nan 8.190 nan 0.000 0.450 636 T N -0.182 114.316 114.554 -0.093 0.000 2.684 636 T HA -0.204 4.143 4.350 -0.004 0.000 0.267 636 T C 2.134 176.783 174.700 -0.084 0.000 1.036 636 T CA 2.014 64.072 62.100 -0.071 0.000 1.148 636 T CB -0.287 68.616 68.868 0.059 0.000 0.863 636 T HN 0.544 nan 8.240 nan 0.000 0.436 637 S N 1.238 116.929 115.700 -0.016 0.000 2.348 637 S HA -0.048 4.420 4.470 -0.004 0.000 0.221 637 S C 2.176 176.698 174.600 -0.130 0.000 1.033 637 S CA 1.031 59.249 58.200 0.029 0.000 1.010 637 S CB -0.342 62.927 63.200 0.115 0.000 0.891 637 S HN 0.307 nan 8.310 nan 0.000 0.442 638 M N 1.013 120.456 119.600 -0.262 0.000 2.149 638 M HA -0.067 4.411 4.480 -0.004 0.000 0.261 638 M C 2.228 178.372 176.300 -0.260 0.000 1.064 638 M CA 1.134 56.256 55.300 -0.297 0.000 1.102 638 M CB -1.453 30.858 32.600 -0.482 0.000 1.369 638 M HN 0.182 nan 8.290 nan 0.000 0.408 639 V N 0.471 120.224 119.914 -0.269 0.000 2.307 639 V HA -0.236 3.882 4.120 -0.004 0.000 0.245 639 V C 2.504 178.413 176.094 -0.308 0.000 1.045 639 V CA 1.363 63.507 62.300 -0.260 0.000 1.024 639 V CB -0.580 31.030 31.823 -0.354 0.000 0.651 639 V HN 0.402 nan 8.190 nan 0.000 0.449 640 L N 0.387 121.361 121.223 -0.414 0.000 2.187 640 L HA -0.084 4.253 4.340 -0.004 0.000 0.213 640 L C 2.087 178.436 176.870 -0.868 0.000 1.100 640 L CA 1.479 55.982 54.840 -0.561 0.000 0.765 640 L CB -0.628 41.059 42.059 -0.620 0.000 0.904 640 L HN 0.492 nan 8.230 nan 0.000 0.437 641 G N -1.688 106.609 108.800 -0.839 0.000 3.434 641 G HA2 0.011 3.969 3.960 -0.004 0.000 0.258 641 G HA3 0.011 3.969 3.960 -0.004 0.000 0.258 641 G C 1.348 176.090 174.900 -0.264 0.000 1.128 641 G CA 0.515 45.221 45.100 -0.655 0.000 0.792 641 G HN 0.405 nan 8.290 nan 0.000 0.539 642 S N -0.895 114.678 115.700 -0.211 0.000 2.501 642 S HA 0.315 4.783 4.470 -0.004 0.000 0.220 642 S C 1.904 176.463 174.600 -0.069 0.000 0.997 642 S CA 0.961 59.098 58.200 -0.105 0.000 0.919 642 S CB 0.018 63.175 63.200 -0.071 0.000 0.778 642 S HN 1.345 nan 8.310 nan 0.000 0.523 643 G N 1.457 110.208 108.800 -0.082 0.000 2.136 643 G HA2 -0.338 3.620 3.960 -0.004 0.000 0.242 643 G HA3 -0.338 3.620 3.960 -0.004 0.000 0.242 643 G C 0.978 175.868 174.900 -0.018 0.000 0.989 643 G CA 0.919 45.992 45.100 -0.045 0.000 0.682 643 G HN 1.205 nan 8.290 nan 0.000 0.522 644 S N -0.477 115.223 115.700 -0.000 0.000 2.402 644 S HA 0.274 4.741 4.470 -0.004 0.000 0.229 644 S C 2.649 177.250 174.600 0.002 0.000 1.021 644 S CA 1.913 60.122 58.200 0.015 0.000 0.974 644 S CB -0.308 62.929 63.200 0.061 0.000 0.800 644 S HN 2.456 nan 8.310 nan 0.000 0.484 645 G N -0.116 108.693 108.800 0.014 0.000 2.205 645 G HA2 -0.311 3.647 3.960 -0.004 0.000 0.261 645 G HA3 -0.311 3.647 3.960 -0.004 0.000 0.261 645 G C 0.860 175.738 174.900 -0.035 0.000 0.980 645 G CA 0.456 45.555 45.100 -0.002 0.000 0.632 645 G HN 0.758 nan 8.290 nan 0.000 0.533 646 V N -0.185 119.682 119.914 -0.078 0.000 2.427 646 V HA 0.187 4.304 4.120 -0.004 0.000 0.248 646 V C 1.400 177.234 176.094 -0.434 0.000 1.051 646 V CA 1.685 63.801 62.300 -0.306 0.000 1.048 646 V CB -0.457 31.059 31.823 -0.510 0.000 0.666 646 V HN 0.318 nan 8.190 nan 0.000 0.456 647 F N -0.139 119.828 119.950 0.027 0.000 2.399 647 F HA 0.384 4.909 4.527 -0.004 0.000 0.334 647 F C 1.154 176.999 175.800 0.075 0.000 1.097 647 F CA -0.417 57.625 58.000 0.070 0.000 1.076 647 F CB 1.290 40.332 39.000 0.071 0.000 1.162 647 F HN -0.252 nan 8.300 nan 0.000 0.495 648 K N 1.340 121.904 120.400 0.273 0.000 2.128 648 K HA 0.127 4.445 4.320 -0.004 0.000 0.202 648 K C -0.107 176.617 176.600 0.208 0.000 1.050 648 K CA 0.861 57.268 56.287 0.201 0.000 0.966 648 K CB 0.281 32.898 32.500 0.195 0.000 0.759 648 K HN 0.806 nan 8.250 nan 0.000 0.454 649 c N -2.644 116.110 118.600 0.257 0.000 3.332 649 c HA 0.912 5.480 4.570 -0.004 0.000 0.329 649 c C -0.185 174.119 174.090 0.357 0.000 1.434 649 c CA -0.615 55.883 56.329 0.282 0.000 1.314 649 c CB 1.080 43.670 42.510 0.134 0.000 1.664 649 c HN 0.364 nan 8.230 nan 0.000 0.457 650 G N -0.193 108.896 108.800 0.482 0.000 2.632 650 G HA2 0.688 4.646 3.960 -0.004 0.000 0.292 650 G HA3 0.688 4.646 3.960 -0.004 0.000 0.292 650 G C -2.030 173.142 174.900 0.453 0.000 1.465 650 G CA -0.666 44.698 45.100 0.441 0.000 0.824 650 G HN 0.977 nan 8.290 nan 0.000 0.509 651 I N 0.825 121.630 120.570 0.392 0.000 2.466 651 I HA 0.613 4.781 4.170 -0.004 0.000 0.289 651 I C 0.184 176.454 176.117 0.256 0.000 1.026 651 I CA -0.948 60.482 61.300 0.217 0.000 1.078 651 I CB 2.208 40.342 38.000 0.223 0.000 1.249 651 I HN 0.656 nan 8.210 nan 0.000 0.429 652 A N 6.565 129.424 122.820 0.065 0.000 2.287 652 A HA 0.785 5.103 4.320 -0.004 0.000 0.317 652 A C -0.758 176.762 177.584 -0.106 0.000 1.220 652 A CA -0.506 51.569 52.037 0.063 0.000 0.835 652 A CB 1.138 20.235 19.000 0.162 0.000 1.180 652 A HN 0.443 nan 8.150 nan 0.000 0.500 653 V N 2.081 121.887 119.914 -0.180 0.000 2.417 653 V HA 0.582 4.700 4.120 -0.004 0.000 0.291 653 V C 0.910 176.638 176.094 -0.611 0.000 1.024 653 V CA 0.302 62.286 62.300 -0.528 0.000 0.861 653 V CB 0.933 32.153 31.823 -1.006 0.000 0.985 653 V HN 2.099 nan 8.190 nan 0.000 0.436 654 A N 5.583 128.002 122.820 -0.669 0.000 2.415 654 A HA -0.103 4.215 4.320 -0.004 0.000 0.292 654 A C -1.849 175.590 177.584 -0.240 0.000 1.452 654 A CA 0.479 52.029 52.037 -0.811 0.000 0.750 654 A CB -1.539 17.173 19.000 -0.479 0.000 1.099 654 A HN 0.603 nan 8.150 nan 0.000 0.391 655 P HA 0.484 nan 4.420 nan 0.000 0.279 655 P C 0.064 177.329 177.300 -0.057 0.000 1.252 655 P CA -0.365 62.715 63.100 -0.035 0.000 0.811 655 P CB 1.410 33.114 31.700 0.008 0.000 1.035 656 V N 1.733 121.513 119.914 -0.224 0.000 2.607 656 V HA 0.141 4.258 4.120 -0.004 0.000 0.289 656 V C 1.629 177.503 176.094 -0.366 0.000 1.053 656 V CA 0.717 62.730 62.300 -0.478 0.000 0.996 656 V CB 0.909 32.046 31.823 -1.143 0.000 0.995 656 V HN 0.837 nan 8.190 nan 0.000 0.476 657 S N 3.342 118.856 115.700 -0.310 0.000 2.619 657 S HA 0.248 4.716 4.470 -0.004 0.000 0.238 657 S C 0.442 174.846 174.600 -0.327 0.000 1.068 657 S CA -0.355 57.736 58.200 -0.182 0.000 0.926 657 S CB 0.317 63.487 63.200 -0.049 0.000 0.864 657 S HN 0.840 nan 8.310 nan 0.000 0.493 658 R N -1.056 119.118 120.500 -0.544 0.000 2.515 658 R HA 0.454 4.792 4.340 -0.004 0.000 0.278 658 R C -0.950 174.998 176.300 -0.586 0.000 1.107 658 R CA -0.828 54.904 56.100 -0.613 0.000 0.945 658 R CB -0.211 29.658 30.300 -0.720 0.000 1.219 658 R HN 0.126 nan 8.270 nan 0.000 0.434 659 W N 1.643 122.849 121.300 -0.156 0.000 2.387 659 W HA -0.051 4.607 4.660 -0.004 0.000 0.272 659 W C 1.095 177.743 176.519 0.213 0.000 1.224 659 W CA 0.873 58.229 57.345 0.018 0.000 1.210 659 W CB 0.238 29.654 29.460 -0.074 0.000 1.125 659 W HN 0.724 nan 8.180 nan 0.000 0.572 660 E N -1.092 119.251 120.200 0.238 0.000 2.418 660 E HA -0.173 4.175 4.350 -0.004 0.000 0.197 660 E C 1.239 177.978 176.600 0.231 0.000 1.026 660 E CA 0.674 57.171 56.400 0.162 0.000 0.862 660 E CB -0.166 29.529 29.700 -0.008 0.000 0.799 660 E HN 0.366 nan 8.360 nan 0.000 0.518 661 Y N -1.464 118.909 120.300 0.122 0.000 2.517 661 Y HA 0.053 4.601 4.550 -0.004 0.000 0.281 661 Y C 0.715 176.686 175.900 0.119 0.000 1.125 661 Y CA -0.295 57.847 58.100 0.070 0.000 1.283 661 Y CB -0.405 38.042 38.460 -0.021 0.000 1.042 661 Y HN 0.011 nan 8.280 nan 0.000 0.547 662 Y N 2.085 122.518 120.300 0.222 0.000 2.334 662 Y HA 0.268 4.816 4.550 -0.004 0.000 0.325 662 Y C 0.416 176.509 175.900 0.321 0.000 1.308 662 Y CA -1.998 56.237 58.100 0.225 0.000 1.389 662 Y CB 0.324 38.954 38.460 0.283 0.000 1.328 662 Y HN 0.202 nan 8.280 nan 0.000 0.532 663 D N -0.506 119.551 120.400 -0.572 0.000 2.368 663 D HA 0.077 4.715 4.640 -0.004 0.000 0.240 663 D C 0.977 177.259 176.300 -0.030 0.000 1.169 663 D CA 0.400 54.186 54.000 -0.358 0.000 0.906 663 D CB 0.803 41.165 40.800 -0.730 0.000 1.187 663 D HN 0.477 nan 8.370 nan 0.000 0.435 664 S N 0.989 116.682 115.700 -0.011 0.000 2.348 664 S HA -0.222 4.246 4.470 -0.004 0.000 0.221 664 S C 1.940 176.578 174.600 0.062 0.000 1.033 664 S CA 1.194 59.440 58.200 0.078 0.000 1.010 664 S CB -1.041 62.209 63.200 0.085 0.000 0.891 664 S HN 0.432 nan 8.310 nan 0.000 0.442 665 V N 1.044 120.935 119.914 -0.038 0.000 2.252 665 V HA -0.202 3.916 4.120 -0.004 0.000 0.249 665 V C 2.321 178.341 176.094 -0.123 0.000 1.056 665 V CA 2.364 64.548 62.300 -0.193 0.000 1.022 665 V CB -1.144 30.419 31.823 -0.434 0.000 0.641 665 V HN 0.606 nan 8.190 nan 0.000 0.445 666 Y N 1.363 121.620 120.300 -0.071 0.000 2.109 666 Y HA -0.246 4.302 4.550 -0.004 0.000 0.285 666 Y C 2.759 178.678 175.900 0.033 0.000 1.131 666 Y CA 2.408 60.545 58.100 0.062 0.000 1.121 666 Y CB -0.748 37.960 38.460 0.412 0.000 0.987 666 Y HN 0.237 nan 8.280 nan 0.000 0.495 667 T N 0.489 115.325 114.554 0.470 0.000 2.652 667 T HA -0.230 4.118 4.350 -0.004 0.000 0.267 667 T C 1.557 176.256 174.700 -0.003 0.000 1.039 667 T CA 2.021 64.304 62.100 0.306 0.000 1.153 667 T CB -0.391 68.784 68.868 0.511 0.000 0.863 667 T HN 0.462 nan 8.240 nan 0.000 0.428 668 E N 0.482 120.702 120.200 0.034 0.000 2.265 668 E HA -0.096 4.252 4.350 -0.004 0.000 0.196 668 E C 2.325 178.809 176.600 -0.192 0.000 0.996 668 E CA 0.436 56.839 56.400 0.005 0.000 0.832 668 E CB -0.126 29.622 29.700 0.080 0.000 0.756 668 E HN 0.345 nan 8.360 nan 0.000 0.491 669 R N 0.066 120.288 120.500 -0.463 0.000 2.105 669 R HA -0.185 4.153 4.340 -0.004 0.000 0.239 669 R C 1.252 177.005 176.300 -0.912 0.000 1.135 669 R CA 1.583 57.207 56.100 -0.794 0.000 0.967 669 R CB 0.014 29.498 30.300 -1.361 0.000 0.861 669 R HN 0.227 nan 8.270 nan 0.000 0.442 670 Y N -2.202 117.782 120.300 -0.525 0.000 2.524 670 Y HA 0.216 4.764 4.550 -0.004 0.000 0.270 670 Y C 1.672 177.396 175.900 -0.293 0.000 1.094 670 Y CA 0.079 57.881 58.100 -0.498 0.000 1.276 670 Y CB 0.398 38.437 38.460 -0.701 0.000 1.130 670 Y HN -0.043 nan 8.280 nan 0.000 0.536 671 M N -0.278 119.214 119.600 -0.181 0.000 2.333 671 M HA 0.354 4.832 4.480 -0.004 0.000 0.257 671 M C 1.107 177.407 176.300 0.001 0.000 1.078 671 M CA 0.716 55.906 55.300 -0.184 0.000 1.005 671 M CB -0.450 31.849 32.600 -0.501 0.000 1.444 671 M HN 0.351 nan 8.290 nan 0.000 0.496 672 G N 2.014 110.833 108.800 0.031 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 -0.394 174.639 174.900 0.223 0.000 1.289 672 G CA -0.640 44.520 45.100 0.100 0.000 0.920 672 G HN 0.378 nan 8.290 nan 0.000 0.571 673 L N 2.114 123.446 121.223 0.182 0.000 2.334 673 L HA 0.420 4.758 4.340 -0.004 0.000 0.277 673 L C -1.394 175.532 176.870 0.093 0.000 1.075 673 L CA -1.736 53.183 54.840 0.132 0.000 0.804 673 L CB 1.872 43.960 42.059 0.049 0.000 1.174 673 L HN 0.452 nan 8.230 nan 0.000 0.438 674 P HA 0.059 nan 4.420 nan 0.000 0.218 674 P C -0.497 176.670 177.300 -0.222 0.000 1.793 674 P CA -0.093 62.629 63.100 -0.630 0.000 0.941 674 P CB -0.409 30.502 31.700 -1.315 0.000 1.919 675 T N -2.964 111.552 114.554 -0.063 0.000 2.924 675 T HA 0.453 4.801 4.350 -0.004 0.000 0.291 675 T C -1.953 172.754 174.700 0.011 0.000 1.045 675 T CA -2.420 59.663 62.100 -0.028 0.000 1.015 675 T CB 2.004 70.863 68.868 -0.015 0.000 1.103 675 T HN -0.209 nan 8.240 nan 0.000 0.496 676 P HA -0.090 nan 4.420 nan 0.000 0.218 676 P C 0.677 177.994 177.300 0.028 0.000 1.148 676 P CA 1.212 64.326 63.100 0.023 0.000 0.822 676 P CB 0.129 31.838 31.700 0.015 0.000 0.784 677 E N -0.997 119.215 120.200 0.022 0.000 2.482 677 E HA -0.044 4.303 4.350 -0.004 0.000 0.196 677 E C 1.342 177.961 176.600 0.030 0.000 1.047 677 E CA 0.542 56.955 56.400 0.021 0.000 0.869 677 E CB -0.246 29.461 29.700 0.012 0.000 0.836 677 E HN 0.331 nan 8.360 nan 0.000 0.520 678 D N -0.618 119.809 120.400 0.044 0.000 3.221 678 D HA 0.069 4.707 4.640 -0.004 0.000 0.207 678 D C 0.047 176.403 176.300 0.094 0.000 1.292 678 D CA -0.016 54.022 54.000 0.062 0.000 1.410 678 D CB 0.006 40.847 40.800 0.068 0.000 0.956 678 D HN -0.049 nan 8.370 nan 0.000 0.177 679 N N 0.180 118.972 118.700 0.153 0.000 2.365 679 N HA 0.103 4.841 4.740 -0.004 0.000 0.257 679 N C 1.002 176.710 175.510 0.330 0.000 1.287 679 N CA -0.084 53.095 53.050 0.215 0.000 0.882 679 N CB 0.157 38.773 38.487 0.215 0.000 1.250 679 N HN 0.112 nan 8.380 nan 0.000 0.507 680 L N 0.345 121.698 121.223 0.217 0.000 2.043 680 L HA -0.109 4.228 4.340 -0.004 0.000 0.212 680 L C 1.231 178.220 176.870 0.199 0.000 1.075 680 L CA 1.988 56.937 54.840 0.180 0.000 0.752 680 L CB -0.452 41.636 42.059 0.049 0.000 0.891 680 L HN 0.152 nan 8.230 nan 0.000 0.432 681 D N -1.375 119.116 120.400 0.151 0.000 2.133 681 D HA -0.261 4.377 4.640 -0.004 0.000 0.195 681 D C 2.086 178.472 176.300 0.144 0.000 0.997 681 D CA 1.768 55.841 54.000 0.123 0.000 0.840 681 D CB -0.197 40.663 40.800 0.100 0.000 0.947 681 D HN 0.592 nan 8.370 nan 0.000 0.452 682 H N -0.978 118.152 119.070 0.101 0.000 2.462 682 H HA -0.061 4.493 4.556 -0.004 0.000 0.292 682 H C 1.680 177.066 175.328 0.097 0.000 1.049 682 H CA 1.145 57.230 56.048 0.061 0.000 1.334 682 H CB -0.248 29.512 29.762 -0.003 0.000 1.404 682 H HN 0.153 nan 8.280 nan 0.000 0.544 683 Y N 0.296 120.576 120.300 -0.034 0.000 2.145 683 Y HA -0.161 4.387 4.550 -0.004 0.000 0.286 683 Y C 2.306 178.168 175.900 -0.064 0.000 1.145 683 Y CA 1.477 59.566 58.100 -0.017 0.000 1.148 683 Y CB 0.137 38.621 38.460 0.041 0.000 0.981 683 Y HN 0.113 nan 8.280 nan 0.000 0.507 684 R N -0.186 120.387 120.500 0.122 0.000 2.236 684 R HA -0.068 4.270 4.340 -0.004 0.000 0.208 684 R C 1.407 177.700 176.300 -0.013 0.000 1.036 684 R CA 0.636 56.758 56.100 0.037 0.000 1.001 684 R CB -0.780 29.542 30.300 0.037 0.000 0.896 684 R HN 0.499 nan 8.270 nan 0.000 0.464 685 N N 0.586 119.253 118.700 -0.056 0.000 2.373 685 N HA -0.045 4.693 4.740 -0.004 0.000 0.181 685 N C 0.018 175.461 175.510 -0.112 0.000 1.082 685 N CA 0.377 53.387 53.050 -0.068 0.000 0.885 685 N CB 0.421 38.896 38.487 -0.020 0.000 0.977 685 N HN 0.081 nan 8.380 nan 0.000 0.462 686 S N -0.078 115.512 115.700 -0.183 0.000 2.537 686 S HA 0.078 4.546 4.470 -0.004 0.000 0.246 686 S C 0.445 175.088 174.600 0.073 0.000 1.036 686 S CA -0.784 57.381 58.200 -0.057 0.000 1.041 686 S CB -0.021 63.122 63.200 -0.094 0.000 0.799 686 S HN 0.156 nan 8.310 nan 0.000 0.456 687 T N -1.776 112.776 114.554 -0.004 0.000 2.922 687 T HA 0.528 4.876 4.350 -0.004 0.000 0.285 687 T C 1.298 175.993 174.700 -0.008 0.000 1.005 687 T CA -0.663 61.419 62.100 -0.030 0.000 1.061 687 T CB 1.354 70.167 68.868 -0.091 0.000 1.007 687 T HN -0.050 nan 8.240 nan 0.000 0.502 688 V N 1.912 121.819 119.914 -0.012 0.000 2.323 688 V HA -0.124 3.994 4.120 -0.004 0.000 0.244 688 V C 2.694 178.767 176.094 -0.034 0.000 1.041 688 V CA 1.709 64.000 62.300 -0.015 0.000 1.025 688 V CB -0.942 30.868 31.823 -0.022 0.000 0.656 688 V HN 0.846 nan 8.190 nan 0.000 0.451 689 M N 1.243 120.801 119.600 -0.069 0.000 2.143 689 M HA -0.195 4.283 4.480 -0.004 0.000 0.258 689 M C 2.272 178.545 176.300 -0.044 0.000 1.071 689 M CA 2.235 57.488 55.300 -0.079 0.000 1.088 689 M CB -0.979 31.582 32.600 -0.064 0.000 1.360 689 M HN 0.545 nan 8.290 nan 0.000 0.404 690 S N -0.701 114.984 115.700 -0.025 0.000 2.547 690 S HA -0.053 4.415 4.470 -0.004 0.000 0.235 690 S C 1.665 176.271 174.600 0.010 0.000 0.980 690 S CA 0.631 58.825 58.200 -0.009 0.000 0.941 690 S CB -0.292 62.901 63.200 -0.010 0.000 0.763 690 S HN 0.532 nan 8.310 nan 0.000 0.532 691 R N 0.081 120.601 120.500 0.034 0.000 2.509 691 R HA 0.512 4.850 4.340 -0.004 0.000 0.300 691 R C 2.055 178.462 176.300 0.178 0.000 0.985 691 R CA 0.453 56.599 56.100 0.076 0.000 1.092 691 R CB -0.110 30.226 30.300 0.060 0.000 1.237 691 R HN 0.406 nan 8.270 nan 0.000 0.546 692 A N 1.475 124.349 122.820 0.089 0.000 1.903 692 A HA -0.321 3.996 4.320 -0.004 0.000 0.219 692 A C 2.042 179.709 177.584 0.138 0.000 1.191 692 A CA 2.156 54.211 52.037 0.031 0.000 0.638 692 A CB -0.317 18.632 19.000 -0.086 0.000 0.823 692 A HN 0.330 nan 8.150 nan 0.000 0.451 693 E N 0.631 120.887 120.200 0.092 0.000 2.097 693 E HA -0.199 4.149 4.350 -0.004 0.000 0.196 693 E C 1.650 178.310 176.600 0.101 0.000 1.000 693 E CA 1.770 58.219 56.400 0.082 0.000 0.804 693 E CB -0.322 29.407 29.700 0.049 0.000 0.740 693 E HN 0.603 nan 8.360 nan 0.000 0.454 694 N N -0.423 118.330 118.700 0.089 0.000 2.520 694 N HA -0.121 4.617 4.740 -0.004 0.000 0.185 694 N C 0.880 176.382 175.510 -0.013 0.000 1.068 694 N CA 0.562 53.620 53.050 0.014 0.000 0.911 694 N CB -0.257 38.193 38.487 -0.062 0.000 0.961 694 N HN 0.252 nan 8.380 nan 0.000 0.446 695 F N 1.171 121.081 119.950 -0.067 0.000 2.771 695 F HA 0.032 4.557 4.527 -0.004 0.000 0.299 695 F C 1.927 177.732 175.800 0.009 0.000 1.177 695 F CA 0.545 58.500 58.000 -0.074 0.000 1.450 695 F CB 0.169 39.075 39.000 -0.157 0.000 1.114 695 F HN -0.072 nan 8.300 nan 0.000 0.587 696 K N -0.168 120.332 120.400 0.165 0.000 2.365 696 K HA -0.104 4.213 4.320 -0.004 0.000 0.199 696 K C 1.544 178.205 176.600 0.101 0.000 1.045 696 K CA 0.717 57.084 56.287 0.134 0.000 0.962 696 K CB -0.047 32.512 32.500 0.099 0.000 0.759 696 K HN 0.395 nan 8.250 nan 0.000 0.469 697 Q N 0.186 120.025 119.800 0.065 0.000 2.425 697 Q HA 0.022 4.360 4.340 -0.004 0.000 0.204 697 Q C 0.336 176.374 176.000 0.063 0.000 0.933 697 Q CA 0.148 55.978 55.803 0.046 0.000 0.939 697 Q CB 0.647 29.392 28.738 0.011 0.000 1.044 697 Q HN 0.119 nan 8.270 nan 0.000 0.513 698 V N -3.430 116.537 119.914 0.088 0.000 3.160 698 V HA 0.471 4.589 4.120 -0.004 0.000 0.310 698 V C -1.284 174.951 176.094 0.234 0.000 1.181 698 V CA -1.312 61.067 62.300 0.132 0.000 1.047 698 V CB 2.291 34.162 31.823 0.080 0.000 1.068 698 V HN -0.063 nan 8.190 nan 0.000 0.441 699 E N 1.174 121.542 120.200 0.280 0.000 2.146 699 E HA 0.475 4.823 4.350 -0.004 0.000 0.282 699 E C -1.898 175.077 176.600 0.625 0.000 0.989 699 E CA -0.362 56.281 56.400 0.404 0.000 0.799 699 E CB 1.792 31.658 29.700 0.276 0.000 1.088 699 E HN 0.675 nan 8.360 nan 0.000 0.397 700 Y N 3.350 123.927 120.300 0.462 0.000 2.409 700 Y HA 0.469 5.017 4.550 -0.003 0.000 0.343 700 Y C -1.649 174.348 175.900 0.161 0.000 0.973 700 Y CA -1.494 56.821 58.100 0.358 0.000 1.064 700 Y CB 1.145 39.843 38.460 0.396 0.000 1.207 700 Y HN 0.405 nan 8.280 nan 0.000 0.452 701 L N 7.684 128.638 121.223 -0.448 0.000 2.372 701 L HA 0.579 4.916 4.340 -0.004 0.000 0.274 701 L C -2.270 174.167 176.870 -0.722 0.000 0.988 701 L CA -0.828 53.603 54.840 -0.682 0.000 0.833 701 L CB 1.258 42.614 42.059 -1.172 0.000 1.236 701 L HN 0.636 nan 8.230 nan 0.000 0.410 702 L N 6.552 127.432 121.223 -0.572 0.000 2.296 702 L HA 0.708 5.046 4.340 -0.004 0.000 0.286 702 L C -1.047 175.707 176.870 -0.194 0.000 1.023 702 L CA 0.008 54.572 54.840 -0.460 0.000 0.812 702 L CB 1.136 42.974 42.059 -0.368 0.000 1.223 702 L HN 0.602 nan 8.230 nan 0.000 0.421 703 I N 4.446 124.916 120.570 -0.166 0.000 2.647 703 I HA 0.470 4.638 4.170 -0.004 0.000 0.295 703 I C -1.149 174.959 176.117 -0.015 0.000 1.078 703 I CA -0.729 60.523 61.300 -0.079 0.000 1.048 703 I CB 2.109 40.026 38.000 -0.138 0.000 1.239 703 I HN 0.680 nan 8.210 nan 0.000 0.421 704 H N 1.994 121.117 119.070 0.089 0.000 3.079 704 H HA 0.516 5.070 4.556 -0.004 0.000 0.356 704 H C -0.500 175.049 175.328 0.369 0.000 1.221 704 H CA -0.631 55.522 56.048 0.174 0.000 1.185 704 H CB 2.132 31.954 29.762 0.099 0.000 1.882 704 H HN 0.751 nan 8.280 nan 0.000 0.543 705 G N 0.657 109.835 108.800 0.631 0.000 2.372 705 G HA2 0.240 4.198 3.960 -0.004 0.000 0.283 705 G HA3 0.240 4.198 3.960 -0.004 0.000 0.283 705 G C 1.113 176.287 174.900 0.457 0.000 1.177 705 G CA 0.109 45.511 45.100 0.503 0.000 0.842 705 G HN 0.745 nan 8.290 nan 0.000 0.503 706 T N -0.647 114.027 114.554 0.199 0.000 2.915 706 T HA 0.047 4.395 4.350 -0.004 0.000 0.269 706 T C 1.759 176.438 174.700 -0.035 0.000 1.071 706 T CA 1.372 63.411 62.100 -0.101 0.000 1.132 706 T CB 0.120 68.867 68.868 -0.202 0.000 0.878 706 T HN 0.681 nan 8.240 nan 0.000 0.479 707 A N 1.019 123.900 122.820 0.103 0.000 2.577 707 A HA 0.298 4.615 4.320 -0.004 0.000 0.280 707 A C 0.474 178.048 177.584 -0.016 0.000 1.331 707 A CA -0.477 51.611 52.037 0.086 0.000 0.935 707 A CB -0.322 19.006 19.000 0.546 0.000 1.082 707 A HN 0.405 nan 8.150 nan 0.000 0.525 708 D N 1.555 121.965 120.400 0.016 0.000 2.346 708 D HA -0.016 4.622 4.640 -0.004 0.000 0.260 708 D C 0.292 176.566 176.300 -0.043 0.000 1.252 708 D CA 0.192 54.294 54.000 0.169 0.000 0.895 708 D CB 0.673 41.724 40.800 0.418 0.000 1.097 708 D HN 0.561 nan 8.370 nan 0.000 0.489 709 D N 2.439 122.869 120.400 0.050 0.000 2.348 709 D HA -0.134 4.504 4.640 -0.004 0.000 0.211 709 D C 0.996 177.282 176.300 -0.024 0.000 0.998 709 D CA -0.113 53.858 54.000 -0.047 0.000 0.873 709 D CB 0.373 41.126 40.800 -0.077 0.000 0.925 709 D HN 0.223 nan 8.370 nan 0.000 0.524 710 N N 1.019 119.801 118.700 0.136 0.000 2.272 710 N HA -0.063 4.675 4.740 -0.004 0.000 0.195 710 N C -0.016 175.439 175.510 -0.091 0.000 1.048 710 N CA 0.563 53.721 53.050 0.180 0.000 0.912 710 N CB 0.145 38.742 38.487 0.182 0.000 1.096 710 N HN -0.105 nan 8.380 nan 0.000 0.471 711 V N 3.745 123.587 119.914 -0.120 0.000 2.320 711 V HA 0.163 4.281 4.120 -0.004 0.000 0.265 711 V C -0.600 175.526 176.094 0.053 0.000 1.048 711 V CA -0.616 61.650 62.300 -0.057 0.000 0.865 711 V CB -0.058 31.749 31.823 -0.027 0.000 1.043 711 V HN 0.333 nan 8.190 nan 0.000 0.474 712 H N 3.796 122.827 119.070 -0.065 0.000 2.972 712 H HA -0.013 4.541 4.556 -0.004 0.000 0.343 712 H C 0.879 176.026 175.328 -0.302 0.000 1.054 712 H CA -0.251 55.675 56.048 -0.204 0.000 1.412 712 H CB 0.444 30.012 29.762 -0.325 0.000 1.385 712 H HN 0.629 nan 8.280 nan 0.000 0.600 713 F N 2.134 121.833 119.950 -0.419 0.000 2.225 713 F HA -0.292 4.233 4.527 -0.004 0.000 0.302 713 F C 2.526 178.049 175.800 -0.463 0.000 1.068 713 F CA 1.880 59.433 58.000 -0.745 0.000 1.327 713 F CB -0.078 38.681 39.000 -0.403 0.000 1.043 713 F HN 0.659 nan 8.300 nan 0.000 0.506 714 Q N 0.155 119.810 119.800 -0.241 0.000 2.173 714 Q HA -0.304 4.034 4.340 -0.004 0.000 0.208 714 Q C 2.048 177.818 176.000 -0.383 0.000 0.989 714 Q CA 2.203 57.823 55.803 -0.306 0.000 0.872 714 Q CB -0.320 28.210 28.738 -0.347 0.000 0.909 714 Q HN 0.605 nan 8.270 nan 0.000 0.420 715 Q N -0.384 119.238 119.800 -0.296 0.000 2.084 715 Q HA -0.111 4.227 4.340 -0.004 0.000 0.202 715 Q C 2.211 178.120 176.000 -0.151 0.000 0.978 715 Q CA 1.687 57.435 55.803 -0.091 0.000 0.844 715 Q CB -0.012 28.743 28.738 0.028 0.000 0.898 715 Q HN 0.335 nan 8.270 nan 0.000 0.426 716 S N 0.705 116.204 115.700 -0.336 0.000 2.414 716 S HA 0.015 4.483 4.470 -0.004 0.000 0.227 716 S C 2.066 176.420 174.600 -0.410 0.000 1.022 716 S CA 0.647 58.647 58.200 -0.334 0.000 0.958 716 S CB -0.066 62.910 63.200 -0.373 0.000 0.797 716 S HN 0.456 nan 8.310 nan 0.000 0.493 717 A N 1.560 124.030 122.820 -0.582 0.000 1.940 717 A HA -0.161 4.157 4.320 -0.004 0.000 0.219 717 A C 2.119 179.603 177.584 -0.167 0.000 1.176 717 A CA 1.252 53.090 52.037 -0.332 0.000 0.631 717 A CB -0.431 18.438 19.000 -0.219 0.000 0.814 717 A HN 0.360 nan 8.150 nan 0.000 0.446 718 Q N -0.658 119.053 119.800 -0.148 0.000 2.187 718 Q HA 0.038 4.376 4.340 -0.004 0.000 0.199 718 Q C 2.097 178.047 176.000 -0.082 0.000 0.957 718 Q CA 0.868 56.638 55.803 -0.055 0.000 0.857 718 Q CB -0.260 28.523 28.738 0.076 0.000 0.929 718 Q HN 0.787 nan 8.270 nan 0.000 0.453 719 I N 1.069 121.561 120.570 -0.129 0.000 2.163 719 I HA -0.276 3.891 4.170 -0.004 0.000 0.240 719 I C 2.555 178.512 176.117 -0.267 0.000 1.081 719 I CA 1.404 62.584 61.300 -0.200 0.000 1.353 719 I CB -0.421 37.462 38.000 -0.195 0.000 1.054 719 I HN 0.179 nan 8.210 nan 0.000 0.407 720 S N 1.056 116.627 115.700 -0.215 0.000 2.370 720 S HA -0.316 4.152 4.470 -0.004 0.000 0.226 720 S C 2.043 176.625 174.600 -0.031 0.000 1.033 720 S CA 1.745 59.867 58.200 -0.129 0.000 1.011 720 S CB -0.519 62.744 63.200 0.106 0.000 0.852 720 S HN 0.378 nan 8.310 nan 0.000 0.457 721 K N 1.737 122.118 120.400 -0.032 0.000 2.057 721 K HA 0.039 4.357 4.320 -0.004 0.000 0.207 721 K C 2.287 178.870 176.600 -0.029 0.000 1.049 721 K CA 1.176 57.459 56.287 -0.006 0.000 0.931 721 K CB -0.728 31.766 32.500 -0.011 0.000 0.714 721 K HN 0.455 nan 8.250 nan 0.000 0.440 722 A N 0.977 123.750 122.820 -0.077 0.000 1.933 722 A HA -0.098 4.220 4.320 -0.004 0.000 0.218 722 A C 2.083 179.604 177.584 -0.105 0.000 1.175 722 A CA 1.278 53.262 52.037 -0.087 0.000 0.628 722 A CB -0.559 18.371 19.000 -0.118 0.000 0.814 722 A HN 0.329 nan 8.150 nan 0.000 0.444 723 L N -0.694 120.420 121.223 -0.182 0.000 2.093 723 L HA -0.121 4.217 4.340 -0.004 0.000 0.208 723 L C 2.471 179.363 176.870 0.037 0.000 1.085 723 L CA 0.820 55.558 54.840 -0.169 0.000 0.755 723 L CB -0.495 41.283 42.059 -0.468 0.000 0.904 723 L HN 0.236 nan 8.230 nan 0.000 0.435 724 V N -0.253 119.717 119.914 0.093 0.000 2.427 724 V HA -0.265 3.853 4.120 -0.004 0.000 0.248 724 V C 1.915 178.049 176.094 0.066 0.000 1.051 724 V CA 1.773 64.149 62.300 0.126 0.000 1.048 724 V CB -0.481 31.416 31.823 0.122 0.000 0.666 724 V HN 0.399 nan 8.190 nan 0.000 0.456 725 D N 0.269 120.689 120.400 0.033 0.000 2.263 725 D HA -0.098 4.540 4.640 -0.004 0.000 0.208 725 D C 1.664 177.979 176.300 0.024 0.000 0.971 725 D CA 1.503 55.516 54.000 0.022 0.000 0.867 725 D CB -0.036 40.769 40.800 0.008 0.000 0.929 725 D HN 0.551 nan 8.370 nan 0.000 0.492 726 V N -3.937 115.993 119.914 0.026 0.000 3.376 726 V HA 0.521 4.639 4.120 -0.004 0.000 0.313 726 V C 1.148 177.272 176.094 0.051 0.000 1.393 726 V CA 0.127 62.447 62.300 0.032 0.000 1.125 726 V CB -0.082 31.756 31.823 0.026 0.000 1.037 726 V HN 0.118 nan 8.190 nan 0.000 0.440 727 G N 0.607 109.445 108.800 0.063 0.000 2.272 727 G HA2 -0.175 3.783 3.960 -0.004 0.000 0.280 727 G HA3 -0.175 3.783 3.960 -0.004 0.000 0.280 727 G C -0.145 174.817 174.900 0.104 0.000 1.067 727 G CA 0.264 45.410 45.100 0.076 0.000 0.902 727 G HN 0.897 nan 8.290 nan 0.000 0.500 728 V N 0.226 120.223 119.914 0.139 0.000 2.398 728 V HA 0.522 4.640 4.120 -0.004 0.000 0.286 728 V C 0.281 176.562 176.094 0.311 0.000 1.026 728 V CA -0.635 61.780 62.300 0.193 0.000 0.868 728 V CB 1.865 33.788 31.823 0.166 0.000 0.982 728 V HN 0.438 nan 8.190 nan 0.000 0.443 729 D N 3.684 124.244 120.400 0.266 0.000 2.264 729 D HA 0.672 5.310 4.640 -0.004 0.000 0.249 729 D C -0.663 175.878 176.300 0.401 0.000 1.070 729 D CA 0.098 54.242 54.000 0.240 0.000 0.912 729 D CB 1.013 41.885 40.800 0.120 0.000 1.193 729 D HN 0.365 nan 8.370 nan 0.000 0.427 730 F N -0.384 119.643 119.950 0.127 0.000 2.817 730 F HA 0.451 4.976 4.527 -0.004 0.000 0.317 730 F C -1.602 174.249 175.800 0.085 0.000 1.168 730 F CA -1.150 56.945 58.000 0.159 0.000 0.911 730 F CB 0.678 39.806 39.000 0.214 0.000 1.337 730 F HN 0.064 nan 8.300 nan 0.000 0.464 731 Q N 1.436 121.302 119.800 0.110 0.000 2.245 731 Q HA 0.822 5.160 4.340 -0.004 0.000 0.256 731 Q C -0.723 175.258 176.000 -0.032 0.000 0.942 731 Q CA -0.632 55.139 55.803 -0.054 0.000 0.896 731 Q CB 1.954 30.665 28.738 -0.045 0.000 1.272 731 Q HN 1.052 nan 8.270 nan 0.000 0.442 732 A N 1.843 124.615 122.820 -0.080 0.000 2.566 732 A HA 0.880 5.198 4.320 -0.004 0.000 0.292 732 A C -1.297 176.228 177.584 -0.098 0.000 1.112 732 A CA -0.600 51.429 52.037 -0.014 0.000 0.707 732 A CB 1.980 21.040 19.000 0.100 0.000 1.302 732 A HN 0.631 nan 8.150 nan 0.000 0.409 733 M N 1.060 120.588 119.600 -0.119 0.000 2.307 733 M HA 0.561 5.039 4.480 -0.004 0.000 0.279 733 M C -2.104 174.057 176.300 -0.233 0.000 1.080 733 M CA -0.390 54.691 55.300 -0.365 0.000 0.964 733 M CB 1.121 33.400 32.600 -0.535 0.000 1.825 733 M HN 0.991 nan 8.290 nan 0.000 0.489 734 W N 4.174 125.301 121.300 -0.288 0.000 2.516 734 W HA 0.788 5.446 4.660 -0.004 0.000 0.343 734 W C -2.036 174.180 176.519 -0.505 0.000 1.094 734 W CA -0.847 56.400 57.345 -0.164 0.000 1.250 734 W CB 0.433 29.837 29.460 -0.094 0.000 1.308 734 W HN 0.605 nan 8.180 nan 0.000 0.588 735 Y N 2.286 122.698 120.300 0.188 0.000 2.376 735 Y HA 0.305 4.852 4.550 -0.004 0.000 0.326 735 Y C 0.490 176.491 175.900 0.169 0.000 0.970 735 Y CA -1.193 56.938 58.100 0.053 0.000 1.248 735 Y CB 1.329 39.801 38.460 0.020 0.000 1.117 735 Y HN 0.437 nan 8.280 nan 0.000 0.476 736 T N 4.670 119.375 114.554 0.253 0.000 2.866 736 T HA -0.028 4.320 4.350 -0.004 0.000 0.293 736 T C 0.153 174.920 174.700 0.113 0.000 1.005 736 T CA 0.675 62.872 62.100 0.162 0.000 1.162 736 T CB -0.138 68.763 68.868 0.057 0.000 0.968 736 T HN 0.687 nan 8.240 nan 0.000 0.530 737 D N 0.983 121.428 120.400 0.074 0.000 3.059 737 D HA -0.125 4.513 4.640 -0.004 0.000 0.220 737 D C 0.260 176.703 176.300 0.238 0.000 1.169 737 D CA 1.130 55.126 54.000 -0.006 0.000 0.902 737 D CB -0.395 40.192 40.800 -0.355 0.000 1.116 737 D HN 0.546 nan 8.370 nan 0.000 0.417 738 E N 0.662 121.019 120.200 0.263 0.000 2.242 738 E HA 0.370 4.718 4.350 -0.004 0.000 0.275 738 E C 0.681 177.480 176.600 0.331 0.000 1.002 738 E CA -0.396 56.179 56.400 0.292 0.000 0.841 738 E CB 1.341 31.203 29.700 0.271 0.000 1.109 738 E HN 0.310 nan 8.360 nan 0.000 0.394 739 D N -0.595 120.012 120.400 0.345 0.000 2.560 739 D HA 0.012 4.650 4.640 -0.004 0.000 0.277 739 D C 1.085 177.640 176.300 0.425 0.000 1.194 739 D CA -0.199 54.029 54.000 0.379 0.000 1.092 739 D CB -0.143 40.900 40.800 0.405 0.000 1.169 739 D HN 0.383 nan 8.370 nan 0.000 0.607 740 H N -1.507 117.765 119.070 0.336 0.000 2.457 740 H HA 0.053 4.607 4.556 -0.004 0.000 0.297 740 H C 1.888 177.516 175.328 0.500 0.000 1.092 740 H CA 2.180 58.455 56.048 0.378 0.000 1.309 740 H CB -0.402 29.566 29.762 0.343 0.000 1.382 740 H HN 0.503 nan 8.280 nan 0.000 0.535 741 G N -0.432 108.590 108.800 0.371 0.000 2.683 741 G HA2 0.020 3.978 3.960 -0.004 0.000 0.213 741 G HA3 0.020 3.978 3.960 -0.004 0.000 0.213 741 G C 0.709 175.853 174.900 0.407 0.000 1.142 741 G CA 0.298 45.548 45.100 0.251 0.000 0.793 741 G HN 0.514 nan 8.290 nan 0.000 0.534 742 I N 0.116 120.917 120.570 0.384 0.000 6.224 742 I HA -0.334 3.834 4.170 -0.004 0.000 0.126 742 I C 1.681 177.948 176.117 0.249 0.000 1.640 742 I CA 0.119 61.586 61.300 0.277 0.000 2.446 742 I CB -1.346 36.784 38.000 0.216 0.000 3.098 742 I HN 0.255 nan 8.210 nan 0.000 0.277 743 A N 0.742 123.676 122.820 0.190 0.000 2.275 743 A HA 0.167 4.484 4.320 -0.004 0.000 0.212 743 A C 1.248 178.883 177.584 0.085 0.000 1.201 743 A CA 0.738 52.838 52.037 0.106 0.000 0.843 743 A CB 0.075 19.107 19.000 0.054 0.000 0.873 743 A HN 0.590 nan 8.150 nan 0.000 0.492 744 S N -0.028 115.741 115.700 0.115 0.000 2.552 744 S HA 0.095 4.562 4.470 -0.004 0.000 0.289 744 S C 1.507 176.167 174.600 0.099 0.000 1.304 744 S CA 0.486 58.746 58.200 0.101 0.000 1.063 744 S CB 0.650 63.915 63.200 0.108 0.000 0.848 744 S HN 0.591 nan 8.310 nan 0.000 0.499 745 S N 3.418 119.163 115.700 0.075 0.000 2.372 745 S HA -0.188 4.280 4.470 -0.004 0.000 0.227 745 S C 2.046 176.708 174.600 0.103 0.000 1.044 745 S CA 2.604 60.851 58.200 0.079 0.000 1.050 745 S CB -1.308 61.920 63.200 0.047 0.000 0.901 745 S HN 1.035 nan 8.310 nan 0.000 0.447 746 T N -0.270 114.332 114.554 0.080 0.000 2.770 746 T HA 0.214 4.562 4.350 -0.004 0.000 0.263 746 T C 2.039 176.785 174.700 0.078 0.000 1.039 746 T CA 1.265 63.410 62.100 0.075 0.000 1.142 746 T CB -1.015 67.889 68.868 0.061 0.000 0.868 746 T HN 0.485 nan 8.240 nan 0.000 0.435 747 A N 1.583 124.427 122.820 0.041 0.000 1.933 747 A HA -0.105 4.213 4.320 -0.004 0.000 0.218 747 A C 2.206 179.718 177.584 -0.121 0.000 1.175 747 A CA 2.073 54.051 52.037 -0.098 0.000 0.628 747 A CB -1.254 17.650 19.000 -0.160 0.000 0.814 747 A HN 0.775 nan 8.150 nan 0.000 0.444 748 H N -0.067 118.972 119.070 -0.051 0.000 2.319 748 H HA -0.149 4.404 4.556 -0.004 0.000 0.299 748 H C 2.073 177.452 175.328 0.084 0.000 1.092 748 H CA 2.375 58.451 56.048 0.046 0.000 1.302 748 H CB -0.243 29.562 29.762 0.071 0.000 1.373 748 H HN 0.583 nan 8.280 nan 0.000 0.497 749 Q N -1.023 118.742 119.800 -0.058 0.000 2.119 749 Q HA -0.173 4.165 4.340 -0.004 0.000 0.201 749 Q C 2.202 178.159 176.000 -0.071 0.000 0.972 749 Q CA 1.231 56.959 55.803 -0.125 0.000 0.847 749 Q CB -0.170 28.549 28.738 -0.032 0.000 0.903 749 Q HN 0.639 nan 8.270 nan 0.000 0.433 750 H N 0.764 119.782 119.070 -0.086 0.000 2.357 750 H HA -0.063 4.491 4.556 -0.004 0.000 0.301 750 H C 1.998 177.298 175.328 -0.048 0.000 1.082 750 H CA 1.264 57.295 56.048 -0.028 0.000 1.342 750 H CB 0.048 29.844 29.762 0.056 0.000 1.389 750 H HN 0.277 nan 8.280 nan 0.000 0.511 751 I N 0.012 120.519 120.570 -0.105 0.000 2.353 751 I HA -0.296 3.872 4.170 -0.004 0.000 0.248 751 I C 1.713 177.598 176.117 -0.387 0.000 1.119 751 I CA 1.075 62.242 61.300 -0.222 0.000 1.417 751 I CB -0.236 37.456 38.000 -0.514 0.000 1.078 751 I HN 0.118 nan 8.210 nan 0.000 0.421 752 Y N 0.966 121.047 120.300 -0.365 0.000 2.314 752 Y HA -0.179 4.369 4.550 -0.004 0.000 0.293 752 Y C 2.701 178.376 175.900 -0.374 0.000 1.129 752 Y CA 1.744 59.504 58.100 -0.565 0.000 1.201 752 Y CB -0.790 37.328 38.460 -0.569 0.000 0.999 752 Y HN 0.141 nan 8.280 nan 0.000 0.541 753 T N -1.645 112.825 114.554 -0.139 0.000 2.737 753 T HA -0.229 4.119 4.350 -0.004 0.000 0.265 753 T C 1.577 176.183 174.700 -0.156 0.000 1.038 753 T CA 1.879 63.873 62.100 -0.177 0.000 1.144 753 T CB -0.454 68.303 68.868 -0.184 0.000 0.866 753 T HN 0.403 nan 8.240 nan 0.000 0.434 754 H N 0.773 119.734 119.070 -0.182 0.000 2.353 754 H HA 0.100 4.653 4.556 -0.004 0.000 0.300 754 H C 2.155 177.476 175.328 -0.012 0.000 1.090 754 H CA 1.564 57.576 56.048 -0.060 0.000 1.327 754 H CB -0.245 29.474 29.762 -0.072 0.000 1.383 754 H HN 0.262 nan 8.280 nan 0.000 0.508 755 M N -0.925 118.627 119.600 -0.080 0.000 2.175 755 M HA -0.150 4.328 4.480 -0.004 0.000 0.264 755 M C 2.417 178.837 176.300 0.201 0.000 1.063 755 M CA 1.378 56.634 55.300 -0.073 0.000 1.119 755 M CB 0.084 32.404 32.600 -0.467 0.000 1.377 755 M HN 0.189 nan 8.290 nan 0.000 0.415 756 S N -0.588 115.247 115.700 0.226 0.000 2.356 756 S HA -0.163 4.304 4.470 -0.004 0.000 0.223 756 S C 1.722 176.419 174.600 0.162 0.000 1.032 756 S CA 1.071 59.484 58.200 0.356 0.000 1.005 756 S CB -0.589 62.773 63.200 0.271 0.000 0.867 756 S HN 0.467 nan 8.310 nan 0.000 0.449 757 H N -0.220 118.916 119.070 0.110 0.000 2.352 757 H HA -0.055 4.499 4.556 -0.004 0.000 0.299 757 H C 1.975 177.325 175.328 0.037 0.000 1.097 757 H CA 1.334 57.405 56.048 0.039 0.000 1.311 757 H CB -0.695 29.040 29.762 -0.045 0.000 1.377 757 H HN 0.443 nan 8.280 nan 0.000 0.504 758 F N 1.153 121.104 119.950 0.003 0.000 2.113 758 F HA -0.164 4.360 4.527 -0.004 0.000 0.297 758 F C 2.279 178.050 175.800 -0.047 0.000 1.103 758 F CA 0.795 58.768 58.000 -0.045 0.000 1.248 758 F CB -0.247 38.704 39.000 -0.082 0.000 0.999 758 F HN -0.043 nan 8.300 nan 0.000 0.475 759 I N 0.758 121.356 120.570 0.047 0.000 2.226 759 I HA -0.259 3.909 4.170 -0.004 0.000 0.245 759 I C 2.217 178.164 176.117 -0.283 0.000 1.100 759 I CA 1.428 62.594 61.300 -0.224 0.000 1.374 759 I CB -1.268 36.682 38.000 -0.083 0.000 1.057 759 I HN 0.212 nan 8.210 nan 0.000 0.413 760 K N 0.202 120.577 120.400 -0.041 0.000 2.097 760 K HA -0.206 4.112 4.320 -0.004 0.000 0.206 760 K C 2.034 178.641 176.600 0.012 0.000 1.049 760 K CA 0.936 57.250 56.287 0.045 0.000 0.933 760 K CB -0.230 32.340 32.500 0.116 0.000 0.717 760 K HN 0.362 nan 8.250 nan 0.000 0.442 761 Q N 1.383 121.149 119.800 -0.057 0.000 2.046 761 Q HA -0.180 4.158 4.340 -0.004 0.000 0.200 761 Q C 2.290 178.204 176.000 -0.144 0.000 0.975 761 Q CA 1.631 57.383 55.803 -0.085 0.000 0.836 761 Q CB -0.591 28.082 28.738 -0.109 0.000 0.896 761 Q HN 0.372 nan 8.270 nan 0.000 0.428 762 c N 0.314 118.715 118.600 -0.332 0.000 2.413 762 c HA -0.093 4.475 4.570 -0.004 0.000 0.277 762 c C 2.227 176.321 174.090 0.008 0.000 1.265 762 c CA 0.502 56.648 56.329 -0.305 0.000 1.752 762 c CB -1.363 40.802 42.510 -0.575 0.000 1.998 762 c HN 0.528 nan 8.230 nan 0.000 0.489 763 F N 2.325 122.238 119.950 -0.062 0.000 2.765 763 F HA 0.199 4.724 4.527 -0.004 0.000 0.302 763 F C 1.813 177.602 175.800 -0.018 0.000 1.111 763 F CA 0.622 58.608 58.000 -0.023 0.000 1.359 763 F CB -1.204 37.792 39.000 -0.006 0.000 1.097 763 F HN 0.461 nan 8.300 nan 0.000 0.577 764 S N -0.088 115.697 115.700 0.142 0.000 3.378 764 S HA -0.228 4.240 4.470 -0.004 0.000 0.365 764 S C 1.091 175.742 174.600 0.085 0.000 0.951 764 S CA 0.092 58.340 58.200 0.080 0.000 1.274 764 S CB -1.837 61.396 63.200 0.056 0.000 0.915 764 S HN 0.201 nan 8.310 nan 0.000 0.513 765 L N 0.941 122.226 121.223 0.104 0.000 1.989 765 L HA 0.060 4.398 4.340 -0.004 0.000 0.211 765 L C 0.469 177.373 176.870 0.057 0.000 1.071 765 L CA 2.255 57.146 54.840 0.086 0.000 0.749 765 L CB -3.058 39.061 42.059 0.100 0.000 0.890 765 L HN 0.697 nan 8.230 nan 0.000 0.431 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.139 63.100 0.066 0.000 0.800 766 P CB 0.000 31.730 31.700 0.049 0.000 0.726