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 2qky_1_A 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 0.000 174.734 174.700 0.057 0.000 1.109 39 T CA 0.000 62.123 62.100 0.038 0.000 1.349 39 T CB 0.000 68.887 68.868 0.031 0.000 0.612 40 R N 2.785 123.329 120.500 0.074 0.000 2.641 40 R HA 0.495 4.340 4.340 -0.825 0.000 0.269 40 R C 0.259 176.617 176.300 0.098 0.000 1.074 40 R CA -0.430 55.721 56.100 0.085 0.000 1.133 40 R CB 0.668 31.024 30.300 0.093 0.000 1.029 40 R HN 0.601 nan 8.270 nan 0.000 0.488 41 K N 0.055 120.517 120.400 0.104 0.000 2.230 41 K HA 0.128 3.953 4.320 -0.825 0.000 0.253 41 K C 0.117 176.802 176.600 0.142 0.000 1.008 41 K CA -0.496 55.861 56.287 0.118 0.000 0.910 41 K CB 0.531 33.105 32.500 0.124 0.000 0.994 41 K HN 0.643 nan 8.250 nan 0.000 0.495 42 T N -2.222 112.427 114.554 0.158 0.000 2.889 42 T HA 0.180 4.035 4.350 -0.825 0.000 0.278 42 T C -0.835 174.018 174.700 0.255 0.000 0.995 42 T CA -0.823 61.394 62.100 0.194 0.000 0.966 42 T CB 0.479 69.458 68.868 0.186 0.000 1.237 42 T HN 0.537 nan 8.240 nan 0.000 0.591 43 Y N 2.465 122.870 120.300 0.176 0.000 2.486 43 Y HA 0.399 4.454 4.550 -0.826 0.000 0.348 43 Y C 0.748 176.815 175.900 0.278 0.000 1.000 43 Y CA -0.353 57.889 58.100 0.237 0.000 1.253 43 Y CB -0.120 38.452 38.460 0.187 0.000 1.140 43 Y HN 0.964 nan 8.280 nan 0.000 0.526 44 T N 3.065 117.585 114.554 -0.056 0.000 2.934 44 T HA 0.161 4.016 4.350 -0.825 0.000 0.283 44 T C 0.941 175.478 174.700 -0.273 0.000 1.005 44 T CA -0.877 61.205 62.100 -0.031 0.000 1.041 44 T CB 1.438 70.276 68.868 -0.051 0.000 1.042 44 T HN 0.689 nan 8.240 nan 0.000 0.505 45 L N 1.647 122.518 121.223 -0.587 0.000 2.127 45 L HA -0.032 3.813 4.340 -0.825 0.000 0.211 45 L C 2.383 179.132 176.870 -0.201 0.000 1.089 45 L CA 2.109 56.606 54.840 -0.572 0.000 0.757 45 L CB -1.566 39.965 42.059 -0.880 0.000 0.899 45 L HN 0.955 nan 8.230 nan 0.000 0.434 46 T N -0.900 113.528 114.554 -0.209 0.000 2.777 46 T HA -0.136 3.718 4.350 -0.825 0.000 0.266 46 T C 1.398 175.995 174.700 -0.172 0.000 1.040 46 T CA 1.437 63.448 62.100 -0.148 0.000 1.141 46 T CB -0.405 68.392 68.868 -0.118 0.000 0.868 46 T HN 0.328 nan 8.240 nan 0.000 0.444 47 D N -0.143 120.106 120.400 -0.251 0.000 2.350 47 D HA -0.012 4.133 4.640 -0.825 0.000 0.216 47 D C 1.329 177.479 176.300 -0.250 0.000 0.968 47 D CA 0.494 54.286 54.000 -0.348 0.000 0.894 47 D CB -0.106 40.390 40.800 -0.507 0.000 0.909 47 D HN 0.474 nan 8.370 nan 0.000 0.520 48 Y N 0.769 120.904 120.300 -0.274 0.000 2.217 48 Y HA 0.099 4.153 4.550 -0.827 0.000 0.286 48 Y C 1.848 177.745 175.900 -0.005 0.000 1.117 48 Y CA 0.789 58.883 58.100 -0.010 0.000 1.113 48 Y CB -0.611 37.925 38.460 0.128 0.000 1.053 48 Y HN -0.185 nan 8.280 nan 0.000 0.501 49 L N 0.606 121.592 121.223 -0.395 0.000 2.263 49 L HA -0.220 3.625 4.340 -0.825 0.000 0.216 49 L C 2.025 178.756 176.870 -0.232 0.000 1.111 49 L CA 1.329 55.915 54.840 -0.424 0.000 0.773 49 L CB -0.589 41.340 42.059 -0.217 0.000 0.906 49 L HN 0.201 nan 8.230 nan 0.000 0.439 50 K N -0.718 119.577 120.400 -0.175 0.000 2.276 50 K HA 0.092 3.917 4.320 -0.825 0.000 0.198 50 K C 0.597 177.130 176.600 -0.113 0.000 1.052 50 K CA 0.193 56.403 56.287 -0.128 0.000 0.984 50 K CB 0.086 32.514 32.500 -0.119 0.000 0.836 50 K HN 0.225 nan 8.250 nan 0.000 0.490 51 N N 0.741 119.379 118.700 -0.103 0.000 2.990 51 N HA -0.135 4.110 4.740 -0.825 0.000 0.247 51 N C 0.810 176.268 175.510 -0.086 0.000 1.096 51 N CA 0.947 53.973 53.050 -0.040 0.000 0.797 51 N CB -1.533 36.936 38.487 -0.029 0.000 1.114 51 N HN 0.390 nan 8.380 nan 0.000 0.549 52 T N -2.872 111.546 114.554 -0.228 0.000 2.680 52 T HA -0.237 3.618 4.350 -0.825 0.000 0.268 52 T C 0.757 175.221 174.700 -0.393 0.000 1.033 52 T CA 1.396 63.244 62.100 -0.421 0.000 1.152 52 T CB -0.374 68.050 68.868 -0.741 0.000 0.859 52 T HN 0.343 nan 8.240 nan 0.000 0.452 53 Y N 2.542 122.910 120.300 0.113 0.000 2.717 53 Y HA 0.591 4.645 4.550 -0.826 0.000 0.329 53 Y C 0.269 176.262 175.900 0.155 0.000 1.017 53 Y CA -1.647 56.547 58.100 0.156 0.000 1.275 53 Y CB 0.293 38.897 38.460 0.240 0.000 1.109 53 Y HN 0.057 nan 8.280 nan 0.000 0.511 54 R N 2.150 122.787 120.500 0.229 0.000 2.265 54 R HA 0.397 4.242 4.340 -0.825 0.000 0.314 54 R C -0.932 175.477 176.300 0.181 0.000 1.053 54 R CA -0.704 55.497 56.100 0.169 0.000 0.931 54 R CB 0.664 31.026 30.300 0.103 0.000 1.024 54 R HN 0.418 nan 8.270 nan 0.000 0.457 55 L N 3.314 124.646 121.223 0.181 0.000 2.361 55 L HA 0.152 3.997 4.340 -0.825 0.000 0.278 55 L C 0.047 177.015 176.870 0.164 0.000 1.113 55 L CA 0.378 55.332 54.840 0.190 0.000 0.849 55 L CB 0.523 42.705 42.059 0.205 0.000 1.155 55 L HN 0.441 nan 8.230 nan 0.000 0.452 56 K N 4.063 124.564 120.400 0.167 0.000 2.298 56 K HA 0.417 4.242 4.320 -0.825 0.000 0.280 56 K C -0.672 176.047 176.600 0.199 0.000 1.032 56 K CA -0.494 55.885 56.287 0.154 0.000 0.958 56 K CB 0.821 33.404 32.500 0.139 0.000 0.978 56 K HN 0.298 nan 8.250 nan 0.000 0.472 57 L N 1.854 123.129 121.223 0.087 0.000 2.464 57 L HA 0.479 4.323 4.340 -0.825 0.000 0.264 57 L C -0.832 175.832 176.870 -0.343 0.000 1.062 57 L CA -0.710 54.069 54.840 -0.101 0.000 0.935 57 L CB 0.063 42.103 42.059 -0.032 0.000 1.603 57 L HN 0.476 nan 8.230 nan 0.000 0.528 58 Y N -0.245 119.564 120.300 -0.817 0.000 2.472 58 Y HA 0.405 4.459 4.550 -0.825 0.000 0.324 58 Y C -0.937 174.755 175.900 -0.346 0.000 1.160 58 Y CA -0.407 57.373 58.100 -0.533 0.000 1.381 58 Y CB 0.979 38.949 38.460 -0.817 0.000 1.125 58 Y HN 0.437 nan 8.280 nan 0.000 0.541 59 S N 5.375 120.923 115.700 -0.253 0.000 2.452 59 S HA 0.679 4.654 4.470 -0.825 0.000 0.284 59 S C -0.814 173.641 174.600 -0.241 0.000 1.171 59 S CA -0.472 57.601 58.200 -0.212 0.000 1.064 59 S CB 0.160 63.267 63.200 -0.155 0.000 0.967 59 S HN 0.523 nan 8.310 nan 0.000 0.484 60 L N 1.588 122.634 121.223 -0.296 0.000 2.354 60 L HA 0.759 4.604 4.340 -0.825 0.000 0.264 60 L C -0.429 176.268 176.870 -0.289 0.000 1.008 60 L CA -0.856 53.760 54.840 -0.373 0.000 0.819 60 L CB 1.356 42.848 42.059 -0.946 0.000 1.339 60 L HN 0.448 nan 8.230 nan 0.000 0.420 61 R N 1.442 121.846 120.500 -0.160 0.000 2.451 61 R HA 0.397 4.242 4.340 -0.825 0.000 0.307 61 R C -1.752 174.577 176.300 0.049 0.000 0.965 61 R CA -0.470 55.600 56.100 -0.051 0.000 0.865 61 R CB 1.015 31.314 30.300 -0.001 0.000 1.174 61 R HN 0.842 nan 8.270 nan 0.000 0.455 62 W N 5.915 127.315 121.300 0.167 0.000 2.303 62 W HA 0.124 4.289 4.660 -0.826 0.000 0.318 62 W C 1.605 178.186 176.519 0.103 0.000 1.362 62 W CA -0.484 56.971 57.345 0.183 0.000 1.234 62 W CB 0.536 30.109 29.460 0.189 0.000 1.248 62 W HN 0.609 nan 8.180 nan 0.000 0.546 63 I N 0.052 120.807 120.570 0.308 0.000 3.339 63 I HA 0.134 3.809 4.170 -0.825 0.000 0.285 63 I C 1.059 177.246 176.117 0.117 0.000 1.201 63 I CA 0.132 61.518 61.300 0.144 0.000 1.434 63 I CB -0.192 37.834 38.000 0.043 0.000 1.152 63 I HN 0.284 nan 8.210 nan 0.000 0.443 64 S N 0.175 115.945 115.700 0.118 0.000 2.921 64 S HA 0.340 4.315 4.470 -0.825 0.000 0.315 64 S C 0.081 174.728 174.600 0.077 0.000 1.087 64 S CA -0.210 58.012 58.200 0.037 0.000 0.877 64 S CB 1.525 64.629 63.200 -0.159 0.000 1.340 64 S HN 0.153 nan 8.310 nan 0.000 0.622 65 D N -0.233 120.217 120.400 0.083 0.000 2.328 65 D HA 0.167 4.312 4.640 -0.825 0.000 0.221 65 D C 0.752 177.166 176.300 0.189 0.000 1.072 65 D CA 0.318 54.360 54.000 0.069 0.000 0.850 65 D CB -0.035 40.805 40.800 0.067 0.000 0.922 65 D HN 0.681 nan 8.370 nan 0.000 0.516 66 H N -2.164 117.075 119.070 0.282 0.000 3.427 66 H HA 0.362 4.423 4.556 -0.825 0.000 0.262 66 H C -0.630 174.945 175.328 0.413 0.000 1.148 66 H CA -0.367 55.977 56.048 0.495 0.000 1.048 66 H CB -0.361 29.678 29.762 0.461 0.000 2.325 66 H HN 0.035 nan 8.280 nan 0.000 0.768 67 E N 1.249 121.495 120.200 0.078 0.000 2.308 67 E HA 0.356 4.211 4.350 -0.825 0.000 0.275 67 E C -1.633 175.091 176.600 0.207 0.000 0.890 67 E CA -1.068 55.340 56.400 0.014 0.000 0.754 67 E CB 2.960 32.557 29.700 -0.171 0.000 1.207 67 E HN 0.277 nan 8.360 nan 0.000 0.426 68 Y N 0.105 120.476 120.300 0.119 0.000 2.576 68 Y HA 0.655 4.710 4.550 -0.825 0.000 0.346 68 Y C -1.425 174.486 175.900 0.018 0.000 1.018 68 Y CA -1.445 56.621 58.100 -0.057 0.000 1.050 68 Y CB 0.732 38.842 38.460 -0.583 0.000 1.280 68 Y HN 0.334 nan 8.280 nan 0.000 0.474 69 L N 3.005 124.380 121.223 0.254 0.000 2.343 69 L HA 0.531 4.375 4.340 -0.825 0.000 0.275 69 L C -1.300 175.764 176.870 0.323 0.000 1.056 69 L CA -1.029 53.923 54.840 0.186 0.000 0.804 69 L CB 1.563 43.611 42.059 -0.019 0.000 1.203 69 L HN 0.801 nan 8.230 nan 0.000 0.440 70 Y N 1.866 122.271 120.300 0.176 0.000 2.401 70 Y HA 0.334 4.389 4.550 -0.825 0.000 0.330 70 Y C -0.717 175.209 175.900 0.044 0.000 1.071 70 Y CA -1.076 57.061 58.100 0.061 0.000 1.049 70 Y CB 1.498 40.050 38.460 0.154 0.000 1.239 70 Y HN 0.433 nan 8.280 nan 0.000 0.437 71 K N 4.182 124.203 120.400 -0.632 0.000 2.249 71 K HA 0.316 4.141 4.320 -0.825 0.000 0.280 71 K C -0.958 175.290 176.600 -0.586 0.000 1.033 71 K CA -0.323 55.702 56.287 -0.435 0.000 0.946 71 K CB 0.802 33.130 32.500 -0.286 0.000 1.005 71 K HN 0.750 nan 8.250 nan 0.000 0.469 72 Q N 3.477 123.156 119.800 -0.203 0.000 2.374 72 Q HA 0.069 3.914 4.340 -0.825 0.000 0.250 72 Q C -1.449 174.539 176.000 -0.019 0.000 0.918 72 Q CA -0.134 55.641 55.803 -0.047 0.000 0.778 72 Q CB 0.963 29.822 28.738 0.203 0.000 1.328 72 Q HN 0.748 nan 8.270 nan 0.000 0.445 73 E N 3.331 123.513 120.200 -0.030 0.000 2.264 73 E HA -0.267 3.588 4.350 -0.825 0.000 0.223 73 E C -0.347 176.227 176.600 -0.044 0.000 1.220 73 E CA 0.491 56.877 56.400 -0.023 0.000 0.692 73 E CB -1.139 28.561 29.700 -0.001 0.000 1.203 73 E HN 0.948 nan 8.360 nan 0.000 0.384 74 N N -1.903 116.760 118.700 -0.063 0.000 2.853 74 N HA -0.228 4.017 4.740 -0.825 0.000 0.239 74 N C -0.149 175.309 175.510 -0.087 0.000 0.967 74 N CA 1.668 54.678 53.050 -0.066 0.000 0.973 74 N CB -0.955 37.503 38.487 -0.048 0.000 1.104 74 N HN 0.489 nan 8.380 nan 0.000 0.602 75 N N 1.144 119.795 118.700 -0.083 0.000 2.439 75 N HA 0.362 4.606 4.740 -0.825 0.000 0.249 75 N C -0.482 174.977 175.510 -0.086 0.000 1.003 75 N CA -0.297 52.700 53.050 -0.089 0.000 0.942 75 N CB 0.368 38.817 38.487 -0.065 0.000 1.115 75 N HN 0.179 nan 8.380 nan 0.000 0.505 76 I N 4.672 125.176 120.570 -0.110 0.000 2.452 76 I HA 0.086 3.760 4.170 -0.825 0.000 0.287 76 I C 0.340 176.450 176.117 -0.012 0.000 1.079 76 I CA -0.218 61.022 61.300 -0.101 0.000 1.387 76 I CB 0.359 38.232 38.000 -0.211 0.000 1.404 76 I HN 0.243 nan 8.210 nan 0.000 0.522 77 L N 6.757 127.983 121.223 0.005 0.000 2.334 77 L HA 0.658 4.503 4.340 -0.825 0.000 0.270 77 L C -0.240 176.590 176.870 -0.067 0.000 1.018 77 L CA -0.999 53.809 54.840 -0.052 0.000 0.811 77 L CB 1.674 43.624 42.059 -0.182 0.000 1.271 77 L HN 0.262 nan 8.230 nan 0.000 0.443 78 V N 1.215 121.031 119.914 -0.163 0.000 2.483 78 V HA 0.544 4.169 4.120 -0.825 0.000 0.295 78 V C -1.059 174.815 176.094 -0.367 0.000 1.035 78 V CA -0.206 62.016 62.300 -0.130 0.000 0.896 78 V CB 1.669 33.514 31.823 0.035 0.000 0.986 78 V HN 0.470 nan 8.190 nan 0.000 0.447 79 F N 4.615 124.403 119.950 -0.270 0.000 2.532 79 F HA 0.507 4.539 4.527 -0.826 0.000 0.321 79 F C 0.251 175.775 175.800 -0.461 0.000 1.089 79 F CA -0.708 57.016 58.000 -0.460 0.000 0.926 79 F CB 1.856 40.287 39.000 -0.947 0.000 1.168 79 F HN 0.488 nan 8.300 nan 0.000 0.459 80 N N 2.056 120.746 118.700 -0.016 0.000 2.462 80 N HA 0.262 4.507 4.740 -0.825 0.000 0.242 80 N C 0.487 175.952 175.510 -0.074 0.000 1.010 80 N CA 0.041 53.115 53.050 0.039 0.000 0.939 80 N CB 1.651 40.243 38.487 0.175 0.000 1.127 80 N HN 0.764 nan 8.380 nan 0.000 0.509 81 A N 3.240 125.969 122.820 -0.152 0.000 2.131 81 A HA -0.167 3.658 4.320 -0.825 0.000 0.220 81 A C 1.849 179.081 177.584 -0.588 0.000 1.158 81 A CA 1.390 53.225 52.037 -0.337 0.000 0.665 81 A CB -0.224 18.539 19.000 -0.394 0.000 0.795 81 A HN 0.743 nan 8.150 nan 0.000 0.460 82 E N -0.929 118.948 120.200 -0.539 0.000 2.014 82 E HA -0.065 3.790 4.350 -0.825 0.000 0.190 82 E C 1.537 177.752 176.600 -0.642 0.000 0.980 82 E CA 1.587 57.588 56.400 -0.665 0.000 0.807 82 E CB -0.335 28.819 29.700 -0.910 0.000 0.770 82 E HN 0.715 nan 8.360 nan 0.000 0.451 83 Y N -1.747 118.542 120.300 -0.017 0.000 2.436 83 Y HA 0.315 4.369 4.550 -0.825 0.000 0.288 83 Y C 1.655 177.556 175.900 0.003 0.000 1.112 83 Y CA 0.388 58.487 58.100 -0.002 0.000 1.220 83 Y CB 0.464 38.934 38.460 0.016 0.000 1.073 83 Y HN 0.242 nan 8.280 nan 0.000 0.552 84 G N 0.610 109.475 108.800 0.108 0.000 2.159 84 G HA2 -0.282 3.183 3.960 -0.825 0.000 0.227 84 G HA3 -0.282 3.183 3.960 -0.825 0.000 0.227 84 G C -0.152 174.911 174.900 0.273 0.000 0.986 84 G CA -0.018 45.165 45.100 0.138 0.000 0.651 84 G HN 0.433 nan 8.290 nan 0.000 0.523 85 N N 0.765 119.599 118.700 0.223 0.000 2.371 85 N HA 0.570 4.815 4.740 -0.825 0.000 0.243 85 N C 0.140 175.680 175.510 0.050 0.000 1.287 85 N CA 0.786 53.922 53.050 0.143 0.000 0.911 85 N CB 1.184 39.727 38.487 0.094 0.000 1.142 85 N HN 0.972 nan 8.380 nan 0.000 0.451 86 S N -1.572 114.054 115.700 -0.124 0.000 2.638 86 S HA 0.750 4.725 4.470 -0.825 0.000 0.274 86 S C -1.150 173.292 174.600 -0.264 0.000 1.157 86 S CA -0.931 57.010 58.200 -0.430 0.000 0.826 86 S CB 1.412 63.905 63.200 -1.178 0.000 1.139 86 S HN 0.666 nan 8.310 nan 0.000 0.474 87 S N 0.009 115.549 115.700 -0.266 0.000 2.564 87 S HA 0.524 4.498 4.470 -0.825 0.000 0.274 87 S C -0.877 173.656 174.600 -0.112 0.000 1.124 87 S CA -0.833 57.283 58.200 -0.141 0.000 0.869 87 S CB 1.651 64.801 63.200 -0.083 0.000 1.105 87 S HN 0.724 nan 8.310 nan 0.000 0.472 88 V N 3.540 123.405 119.914 -0.081 0.000 2.302 88 V HA 0.070 3.695 4.120 -0.825 0.000 0.244 88 V C 0.925 177.000 176.094 -0.032 0.000 1.160 88 V CA 0.188 62.453 62.300 -0.058 0.000 1.127 88 V CB -1.417 30.363 31.823 -0.072 0.000 1.253 88 V HN 0.896 nan 8.190 nan 0.000 0.496 89 F N 4.897 124.772 119.950 -0.126 0.000 2.046 89 F HA -0.055 3.977 4.527 -0.825 0.000 0.297 89 F C 0.940 176.668 175.800 -0.120 0.000 1.123 89 F CA 1.655 59.590 58.000 -0.108 0.000 1.199 89 F CB 0.361 39.304 39.000 -0.096 0.000 0.972 89 F HN 0.347 nan 8.300 nan 0.000 0.474 90 L N 1.629 122.930 121.223 0.130 0.000 2.427 90 L HA 0.284 4.128 4.340 -0.825 0.000 0.264 90 L C -0.727 176.058 176.870 -0.142 0.000 0.989 90 L CA -0.527 54.281 54.840 -0.053 0.000 0.865 90 L CB 0.746 42.824 42.059 0.032 0.000 1.209 90 L HN -0.052 nan 8.230 nan 0.000 0.430 91 E N 2.616 122.711 120.200 -0.175 0.000 2.708 91 E HA -0.123 3.731 4.350 -0.825 0.000 0.260 91 E C 0.780 177.249 176.600 -0.219 0.000 0.937 91 E CA 0.276 56.574 56.400 -0.171 0.000 0.953 91 E CB 0.578 30.177 29.700 -0.168 0.000 0.915 91 E HN 0.629 nan 8.360 nan 0.000 0.487 92 N N 1.601 120.206 118.700 -0.159 0.000 2.513 92 N HA -0.159 4.086 4.740 -0.825 0.000 0.187 92 N C 1.212 176.621 175.510 -0.168 0.000 1.056 92 N CA 0.788 53.749 53.050 -0.148 0.000 0.907 92 N CB -0.046 38.386 38.487 -0.092 0.000 0.954 92 N HN 0.158 nan 8.380 nan 0.000 0.445 93 S N -0.787 114.800 115.700 -0.187 0.000 2.524 93 S HA 0.057 4.032 4.470 -0.825 0.000 0.216 93 S C 1.246 175.686 174.600 -0.267 0.000 0.987 93 S CA 0.216 58.313 58.200 -0.172 0.000 0.909 93 S CB -0.446 62.681 63.200 -0.121 0.000 0.781 93 S HN 0.393 nan 8.310 nan 0.000 0.521 94 T N 2.005 116.277 114.554 -0.470 0.000 2.565 94 T HA -0.184 3.671 4.350 -0.825 0.000 0.265 94 T C 0.546 174.870 174.700 -0.626 0.000 1.082 94 T CA 1.775 63.460 62.100 -0.692 0.000 1.173 94 T CB -0.582 67.600 68.868 -1.143 0.000 0.864 94 T HN 0.568 nan 8.240 nan 0.000 0.425 95 F N 1.423 121.318 119.950 -0.092 0.000 2.980 95 F HA 0.390 4.422 4.527 -0.825 0.000 0.299 95 F C 1.093 176.915 175.800 0.037 0.000 1.211 95 F CA -1.278 56.731 58.000 0.016 0.000 1.328 95 F CB -0.702 38.286 39.000 -0.020 0.000 1.154 95 F HN -0.044 nan 8.300 nan 0.000 0.528 96 D N 1.795 122.223 120.400 0.047 0.000 2.389 96 D HA -0.136 4.009 4.640 -0.825 0.000 0.221 96 D C 0.763 177.104 176.300 0.068 0.000 0.974 96 D CA 1.036 55.057 54.000 0.036 0.000 0.923 96 D CB 0.125 40.914 40.800 -0.017 0.000 0.892 96 D HN 0.633 nan 8.370 nan 0.000 0.518 97 E N -1.453 118.814 120.200 0.112 0.000 4.176 97 E HA 0.011 3.866 4.350 -0.825 0.000 0.222 97 E C 0.437 177.099 176.600 0.103 0.000 1.142 97 E CA -0.340 56.107 56.400 0.077 0.000 1.400 97 E CB -0.861 28.856 29.700 0.028 0.000 1.206 97 E HN 0.025 nan 8.360 nan 0.000 0.413 98 F N 1.986 121.956 119.950 0.033 0.000 2.113 98 F HA 0.119 4.150 4.527 -0.826 0.000 0.297 98 F C 1.740 177.482 175.800 -0.097 0.000 1.103 98 F CA 2.840 60.847 58.000 0.013 0.000 1.248 98 F CB 0.264 39.273 39.000 0.016 0.000 0.999 98 F HN 0.450 nan 8.300 nan 0.000 0.475 99 G N -1.862 106.912 108.800 -0.043 0.000 2.352 99 G HA2 -0.153 3.311 3.960 -0.825 0.000 0.204 99 G HA3 -0.153 3.311 3.960 -0.825 0.000 0.204 99 G C 0.185 174.871 174.900 -0.357 0.000 1.004 99 G CA 0.066 44.992 45.100 -0.291 0.000 0.648 99 G HN 0.493 nan 8.290 nan 0.000 0.491 100 H N 0.175 119.321 119.070 0.127 0.000 2.771 100 H HA 0.677 4.738 4.556 -0.825 0.000 0.367 100 H C -0.339 175.059 175.328 0.117 0.000 1.172 100 H CA 0.128 56.236 56.048 0.100 0.000 1.186 100 H CB 1.656 31.401 29.762 -0.028 0.000 1.790 100 H HN 0.209 nan 8.280 nan 0.000 0.556 101 S N 1.615 117.447 115.700 0.219 0.000 2.474 101 S HA 0.203 4.177 4.470 -0.825 0.000 0.276 101 S C 0.243 174.888 174.600 0.076 0.000 1.227 101 S CA -0.730 57.538 58.200 0.112 0.000 1.050 101 S CB -0.715 62.539 63.200 0.090 0.000 0.939 101 S HN 0.387 nan 8.310 nan 0.000 0.490 102 I N 5.995 126.546 120.570 -0.031 0.000 2.311 102 I HA 0.103 3.777 4.170 -0.825 0.000 0.297 102 I C 1.511 177.600 176.117 -0.047 0.000 1.131 102 I CA -0.396 60.839 61.300 -0.108 0.000 1.289 102 I CB 0.066 37.877 38.000 -0.314 0.000 1.446 102 I HN 0.731 nan 8.210 nan 0.000 0.524 103 N N 3.812 122.498 118.700 -0.023 0.000 2.061 103 N HA -0.187 4.057 4.740 -0.825 0.000 0.193 103 N C 0.080 175.545 175.510 -0.075 0.000 1.030 103 N CA 1.690 54.692 53.050 -0.079 0.000 0.856 103 N CB 0.226 38.646 38.487 -0.112 0.000 1.023 103 N HN 0.674 nan 8.380 nan 0.000 0.424 104 D N -3.331 117.058 120.400 -0.018 0.000 2.683 104 D HA 0.186 4.331 4.640 -0.825 0.000 0.246 104 D C -1.806 174.552 176.300 0.097 0.000 1.238 104 D CA -0.623 53.386 54.000 0.015 0.000 0.759 104 D CB 0.549 41.321 40.800 -0.047 0.000 1.349 104 D HN 0.130 nan 8.370 nan 0.000 0.426 105 Y N -0.212 120.102 120.300 0.023 0.000 2.462 105 Y HA 0.752 4.807 4.550 -0.825 0.000 0.346 105 Y C -1.110 174.852 175.900 0.104 0.000 0.976 105 Y CA -1.027 57.110 58.100 0.061 0.000 1.044 105 Y CB 1.946 40.429 38.460 0.038 0.000 1.230 105 Y HN 0.165 nan 8.280 nan 0.000 0.455 106 S N 5.372 121.168 115.700 0.160 0.000 2.659 106 S HA 0.617 4.592 4.470 -0.825 0.000 0.312 106 S C -1.197 173.618 174.600 0.358 0.000 1.114 106 S CA -0.607 57.687 58.200 0.156 0.000 1.063 106 S CB 0.142 63.495 63.200 0.255 0.000 0.996 106 S HN 0.732 nan 8.310 nan 0.000 0.478 107 I N 4.668 125.357 120.570 0.198 0.000 2.342 107 I HA 0.239 3.914 4.170 -0.825 0.000 0.291 107 I C 0.912 176.820 176.117 -0.349 0.000 1.010 107 I CA -0.418 60.922 61.300 0.067 0.000 1.308 107 I CB 1.662 39.707 38.000 0.075 0.000 1.400 107 I HN 0.858 nan 8.210 nan 0.000 0.488 108 S N 6.490 121.677 115.700 -0.855 0.000 2.558 108 S HA 0.044 4.019 4.470 -0.825 0.000 0.291 108 S C -1.736 172.500 174.600 -0.607 0.000 1.306 108 S CA -0.840 56.448 58.200 -1.520 0.000 1.056 108 S CB 0.518 62.753 63.200 -1.609 0.000 0.836 108 S HN 0.429 nan 8.310 nan 0.000 0.504 109 P HA -0.260 nan 4.420 nan 0.000 0.221 109 P C 1.128 178.361 177.300 -0.113 0.000 1.160 109 P CA 2.111 65.100 63.100 -0.185 0.000 0.933 109 P CB -0.145 31.475 31.700 -0.133 0.000 0.793 110 D N -2.396 117.950 120.400 -0.089 0.000 2.312 110 D HA -0.009 4.136 4.640 -0.825 0.000 0.211 110 D C 1.502 177.776 176.300 -0.044 0.000 0.964 110 D CA 1.314 55.297 54.000 -0.029 0.000 0.877 110 D CB -1.078 39.740 40.800 0.029 0.000 0.924 110 D HN 0.346 nan 8.370 nan 0.000 0.515 111 G N 0.188 108.929 108.800 -0.097 0.000 2.176 111 G HA2 -0.377 3.088 3.960 -0.825 0.000 0.253 111 G HA3 -0.377 3.088 3.960 -0.825 0.000 0.253 111 G C 0.945 175.805 174.900 -0.067 0.000 0.979 111 G CA 0.354 45.434 45.100 -0.033 0.000 0.641 111 G HN 0.451 nan 8.290 nan 0.000 0.530 112 Q N -1.090 118.600 119.800 -0.182 0.000 2.541 112 Q HA 0.322 4.166 4.340 -0.825 0.000 0.215 112 Q C 0.058 175.528 176.000 -0.882 0.000 0.977 112 Q CA 0.681 56.199 55.803 -0.476 0.000 0.934 112 Q CB 0.030 28.432 28.738 -0.561 0.000 0.988 112 Q HN 0.611 nan 8.270 nan 0.000 0.521 113 F N -1.056 118.860 119.950 -0.057 0.000 2.713 113 F HA 0.469 4.500 4.527 -0.825 0.000 0.311 113 F C -0.874 175.018 175.800 0.154 0.000 1.141 113 F CA -1.197 56.867 58.000 0.106 0.000 0.939 113 F CB 1.553 40.715 39.000 0.271 0.000 1.325 113 F HN -0.241 nan 8.300 nan 0.000 0.453 114 I N 3.027 123.952 120.570 0.592 0.000 2.529 114 I HA 0.422 4.097 4.170 -0.825 0.000 0.284 114 I C -1.762 174.691 176.117 0.561 0.000 1.088 114 I CA -0.904 60.709 61.300 0.523 0.000 1.062 114 I CB 1.042 39.312 38.000 0.450 0.000 1.218 114 I HN 0.532 nan 8.210 nan 0.000 0.442 115 L N 8.128 129.724 121.223 0.622 0.000 2.456 115 L HA 0.361 4.205 4.340 -0.825 0.000 0.272 115 L C -1.144 175.898 176.870 0.287 0.000 1.189 115 L CA 0.584 55.656 54.840 0.387 0.000 0.846 115 L CB 0.717 42.920 42.059 0.241 0.000 1.111 115 L HN 0.538 nan 8.230 nan 0.000 0.475 116 L N 4.953 126.325 121.223 0.249 0.000 2.343 116 L HA 0.473 4.318 4.340 -0.825 0.000 0.278 116 L C -0.364 176.680 176.870 0.291 0.000 0.996 116 L CA -0.449 54.475 54.840 0.140 0.000 0.831 116 L CB 1.627 43.610 42.059 -0.126 0.000 1.232 116 L HN 0.615 nan 8.230 nan 0.000 0.413 117 E N 3.535 123.854 120.200 0.197 0.000 2.156 117 E HA 0.485 4.340 4.350 -0.825 0.000 0.279 117 E C -1.546 175.095 176.600 0.069 0.000 0.965 117 E CA -0.468 55.963 56.400 0.051 0.000 0.789 117 E CB 1.055 30.816 29.700 0.101 0.000 1.098 117 E HN 0.425 nan 8.360 nan 0.000 0.397 118 Y N 1.344 121.522 120.300 -0.204 0.000 2.728 118 Y HA 0.443 4.498 4.550 -0.825 0.000 0.330 118 Y C -0.327 175.488 175.900 -0.141 0.000 1.234 118 Y CA -1.774 56.250 58.100 -0.128 0.000 1.070 118 Y CB 0.413 38.828 38.460 -0.075 0.000 1.300 118 Y HN 0.442 nan 8.280 nan 0.000 0.467 119 N N -0.008 118.694 118.700 0.004 0.000 2.714 119 N HA -0.297 3.948 4.740 -0.825 0.000 0.253 119 N C -1.206 174.251 175.510 -0.087 0.000 1.024 119 N CA 0.981 53.987 53.050 -0.074 0.000 0.726 119 N CB -1.417 36.936 38.487 -0.223 0.000 0.908 119 N HN 0.852 nan 8.380 nan 0.000 0.542 120 Y N -0.296 119.915 120.300 -0.147 0.000 2.359 120 Y HA 0.385 4.440 4.550 -0.826 0.000 0.330 120 Y C 0.098 175.932 175.900 -0.109 0.000 1.143 120 Y CA -0.233 57.765 58.100 -0.170 0.000 1.318 120 Y CB 0.899 39.216 38.460 -0.239 0.000 1.234 120 Y HN 0.003 nan 8.280 nan 0.000 0.522 121 V N 7.792 127.274 119.914 -0.720 0.000 2.498 121 V HA 0.152 3.777 4.120 -0.825 0.000 0.283 121 V C -0.358 175.329 176.094 -0.679 0.000 1.015 121 V CA -1.406 60.578 62.300 -0.528 0.000 0.867 121 V CB 1.114 32.782 31.823 -0.257 0.000 1.025 121 V HN 0.793 nan 8.190 nan 0.000 0.441 122 K N 3.407 123.397 120.400 -0.683 0.000 2.527 122 K HA 0.056 3.881 4.320 -0.825 0.000 0.278 122 K C 0.420 176.865 176.600 -0.258 0.000 0.981 122 K CA 0.668 56.760 56.287 -0.325 0.000 1.009 122 K CB 1.126 33.657 32.500 0.052 0.000 0.895 122 K HN 0.804 nan 8.250 nan 0.000 0.493 123 Q N 2.925 122.556 119.800 -0.282 0.000 2.653 123 Q HA 0.174 4.019 4.340 -0.825 0.000 0.212 123 Q C 0.281 176.045 176.000 -0.392 0.000 0.951 123 Q CA -0.350 55.094 55.803 -0.598 0.000 0.535 123 Q CB 0.075 28.280 28.738 -0.889 0.000 3.737 123 Q HN 0.756 nan 8.270 nan 0.000 0.401 124 W N 0.201 121.481 121.300 -0.033 0.000 1.763 124 W HA 0.343 4.505 4.660 -0.830 0.000 0.645 124 W C 2.087 178.585 176.519 -0.035 0.000 1.367 124 W CA -0.560 56.792 57.345 0.012 0.000 1.064 124 W CB -0.213 29.210 29.460 -0.062 0.000 3.517 124 W HN 0.239 nan 8.180 nan 0.000 0.762 125 R N -0.837 119.749 120.500 0.144 0.000 2.127 125 R HA -0.058 3.786 4.340 -0.825 0.000 0.217 125 R C 1.536 177.666 176.300 -0.284 0.000 1.074 125 R CA 1.328 57.325 56.100 -0.171 0.000 0.991 125 R CB -0.174 29.841 30.300 -0.474 0.000 0.895 125 R HN 0.436 nan 8.270 nan 0.000 0.450 126 H N -1.480 117.671 119.070 0.135 0.000 3.440 126 H HA 0.220 4.282 4.556 -0.823 0.000 0.259 126 H C 0.303 175.701 175.328 0.117 0.000 1.120 126 H CA 0.255 56.397 56.048 0.155 0.000 1.191 126 H CB 0.698 30.535 29.762 0.126 0.000 1.537 126 H HN 0.114 nan 8.280 nan 0.000 0.547 127 S N 0.905 116.587 115.700 -0.031 0.000 2.693 127 S HA 0.580 4.554 4.470 -0.825 0.000 0.276 127 S C -0.478 173.984 174.600 -0.231 0.000 1.192 127 S CA -0.554 57.358 58.200 -0.479 0.000 0.994 127 S CB 1.684 63.962 63.200 -1.536 0.000 1.012 127 S HN 0.403 nan 8.310 nan 0.000 0.550 128 Y N -2.999 117.113 120.300 -0.313 0.000 2.841 128 Y HA 0.549 4.603 4.550 -0.827 0.000 0.373 128 Y C -1.123 174.684 175.900 -0.155 0.000 1.170 128 Y CA -0.909 56.988 58.100 -0.338 0.000 1.196 128 Y CB 0.263 38.429 38.460 -0.490 0.000 1.433 128 Y HN 0.941 nan 8.280 nan 0.000 0.479 129 T N 0.210 114.758 114.554 -0.010 0.000 2.856 129 T HA 1.019 4.874 4.350 -0.825 0.000 0.283 129 T C -0.489 174.206 174.700 -0.008 0.000 1.008 129 T CA 0.008 62.116 62.100 0.014 0.000 0.997 129 T CB 1.686 70.522 68.868 -0.053 0.000 0.992 129 T HN 1.862 nan 8.240 nan 0.000 0.454 130 A N 1.684 124.466 122.820 -0.063 0.000 2.588 130 A HA 0.834 4.659 4.320 -0.825 0.000 0.290 130 A C -0.582 176.664 177.584 -0.563 0.000 1.136 130 A CA -1.011 50.842 52.037 -0.307 0.000 0.681 130 A CB 1.357 20.175 19.000 -0.304 0.000 1.282 130 A HN 0.854 nan 8.150 nan 0.000 0.421 131 S N -0.447 114.738 115.700 -0.858 0.000 2.501 131 S HA 0.773 4.748 4.470 -0.825 0.000 0.301 131 S C -1.277 172.590 174.600 -1.221 0.000 1.096 131 S CA -0.114 57.503 58.200 -0.971 0.000 1.063 131 S CB 0.656 63.160 63.200 -1.159 0.000 1.042 131 S HN 0.472 nan 8.310 nan 0.000 0.494 132 Y N 0.242 120.319 120.300 -0.372 0.000 2.659 132 Y HA 0.668 4.723 4.550 -0.825 0.000 0.333 132 Y C -0.065 175.944 175.900 0.181 0.000 1.064 132 Y CA -0.925 57.134 58.100 -0.069 0.000 1.141 132 Y CB 1.534 39.900 38.460 -0.156 0.000 1.316 132 Y HN 0.457 nan 8.280 nan 0.000 0.509 133 D N 0.644 121.290 120.400 0.410 0.000 2.836 133 D HA 0.383 4.528 4.640 -0.825 0.000 0.215 133 D C -1.485 174.977 176.300 0.270 0.000 1.255 133 D CA -0.302 53.895 54.000 0.329 0.000 0.822 133 D CB 2.348 43.429 40.800 0.470 0.000 1.656 133 D HN 0.390 nan 8.370 nan 0.000 0.511 134 I N 2.448 123.149 120.570 0.218 0.000 2.362 134 I HA 0.245 3.920 4.170 -0.825 0.000 0.289 134 I C -0.832 175.530 176.117 0.408 0.000 0.994 134 I CA -0.875 60.591 61.300 0.277 0.000 1.158 134 I CB 1.402 39.474 38.000 0.120 0.000 1.315 134 I HN 0.255 nan 8.210 nan 0.000 0.451 135 Y N 6.109 126.624 120.300 0.358 0.000 2.342 135 Y HA 0.223 4.278 4.550 -0.825 0.000 0.338 135 Y C 0.170 176.307 175.900 0.394 0.000 0.965 135 Y CA -0.629 57.678 58.100 0.345 0.000 1.159 135 Y CB 0.865 39.524 38.460 0.332 0.000 1.157 135 Y HN 0.480 nan 8.280 nan 0.000 0.486 136 D N 6.689 127.133 120.400 0.073 0.000 2.342 136 D HA -0.003 4.142 4.640 -0.825 0.000 0.260 136 D C 0.820 176.883 176.300 -0.396 0.000 1.278 136 D CA 0.439 54.341 54.000 -0.163 0.000 0.910 136 D CB 0.740 41.487 40.800 -0.088 0.000 1.079 136 D HN 0.885 nan 8.370 nan 0.000 0.496 137 L N 3.793 124.870 121.223 -0.243 0.000 2.642 137 L HA -0.101 3.744 4.340 -0.825 0.000 0.236 137 L C 1.797 178.544 176.870 -0.205 0.000 1.169 137 L CA 0.287 55.076 54.840 -0.085 0.000 0.851 137 L CB -0.170 41.891 42.059 0.005 0.000 0.968 137 L HN 0.388 nan 8.230 nan 0.000 0.453 138 N N 0.478 118.997 118.700 -0.301 0.000 2.400 138 N HA -0.038 4.206 4.740 -0.825 0.000 0.228 138 N C 1.053 176.441 175.510 -0.203 0.000 1.023 138 N CA 0.332 53.239 53.050 -0.238 0.000 1.150 138 N CB -0.041 38.293 38.487 -0.255 0.000 1.452 138 N HN 0.242 nan 8.380 nan 0.000 0.605 139 K N 1.905 122.184 120.400 -0.202 0.000 2.664 139 K HA 0.077 3.901 4.320 -0.825 0.000 0.193 139 K C -0.323 176.159 176.600 -0.195 0.000 1.028 139 K CA 0.288 56.481 56.287 -0.156 0.000 1.005 139 K CB -0.107 32.324 32.500 -0.116 0.000 0.815 139 K HN 0.068 nan 8.250 nan 0.000 0.496 140 R N 1.111 121.438 120.500 -0.287 0.000 3.184 140 R HA -0.205 3.640 4.340 -0.825 0.000 0.242 140 R C -0.862 175.164 176.300 -0.456 0.000 0.907 140 R CA 1.359 57.222 56.100 -0.395 0.000 0.618 140 R CB -2.444 27.813 30.300 -0.072 0.000 1.016 140 R HN 0.838 nan 8.270 nan 0.000 0.469 141 Q N -1.406 118.052 119.800 -0.571 0.000 2.337 141 Q HA 0.578 4.423 4.340 -0.825 0.000 0.270 141 Q C -0.501 175.392 176.000 -0.179 0.000 1.043 141 Q CA -1.172 54.475 55.803 -0.259 0.000 0.794 141 Q CB 1.742 30.419 28.738 -0.100 0.000 1.281 141 Q HN 0.125 nan 8.270 nan 0.000 0.446 142 L N 4.487 125.771 121.223 0.101 0.000 2.404 142 L HA 0.291 4.135 4.340 -0.825 0.000 0.277 142 L C -0.549 176.414 176.870 0.155 0.000 1.184 142 L CA -0.034 54.975 54.840 0.281 0.000 1.013 142 L CB -0.253 42.008 42.059 0.337 0.000 1.318 142 L HN 0.720 nan 8.230 nan 0.000 0.435 143 I N 2.896 123.552 120.570 0.144 0.000 3.221 143 I HA -0.246 3.429 4.170 -0.825 0.000 0.337 143 I C 1.319 177.477 176.117 0.070 0.000 1.175 143 I CA 1.446 62.806 61.300 0.099 0.000 1.488 143 I CB 0.022 38.083 38.000 0.102 0.000 1.280 143 I HN 0.773 nan 8.210 nan 0.000 0.533 144 T N -0.017 114.560 114.554 0.038 0.000 3.051 144 T HA 0.107 3.961 4.350 -0.825 0.000 0.254 144 T C 0.344 175.044 174.700 0.001 0.000 0.916 144 T CA -0.486 61.625 62.100 0.020 0.000 0.894 144 T CB 0.302 69.179 68.868 0.016 0.000 1.251 144 T HN 0.461 nan 8.240 nan 0.000 0.517 145 E N 3.525 123.725 120.200 0.001 0.000 2.129 145 E HA 0.302 4.157 4.350 -0.825 0.000 0.283 145 E C -0.393 176.191 176.600 -0.027 0.000 1.080 145 E CA 0.165 56.558 56.400 -0.011 0.000 0.867 145 E CB 0.044 29.742 29.700 -0.004 0.000 1.056 145 E HN 0.458 nan 8.360 nan 0.000 0.404 146 E N 1.465 121.639 120.200 -0.043 0.000 6.165 146 E HA -0.200 3.654 4.350 -0.825 0.000 0.190 146 E C -0.381 176.169 176.600 -0.084 0.000 1.399 146 E CA 0.440 56.800 56.400 -0.066 0.000 1.382 146 E CB -0.951 28.712 29.700 -0.062 0.000 0.979 146 E HN 0.653 nan 8.360 nan 0.000 0.311 147 R N 0.627 121.064 120.500 -0.106 0.000 2.939 147 R HA 0.754 4.599 4.340 -0.825 0.000 0.254 147 R C 0.044 176.206 176.300 -0.231 0.000 1.123 147 R CA -1.212 54.809 56.100 -0.132 0.000 1.020 147 R CB 0.579 30.841 30.300 -0.064 0.000 1.206 147 R HN 0.068 nan 8.270 nan 0.000 0.491 148 I N 3.099 123.487 120.570 -0.303 0.000 2.494 148 I HA 0.106 3.781 4.170 -0.825 0.000 0.289 148 I C -1.781 174.126 176.117 -0.351 0.000 1.106 148 I CA -1.788 59.207 61.300 -0.508 0.000 1.369 148 I CB -0.181 37.463 38.000 -0.594 0.000 1.410 148 I HN 0.468 nan 8.210 nan 0.000 0.523 149 P HA -0.110 nan 4.420 nan 0.000 0.271 149 P C -0.444 176.760 177.300 -0.160 0.000 1.197 149 P CA 0.166 63.010 63.100 -0.427 0.000 0.777 149 P CB 0.429 31.447 31.700 -1.138 0.000 0.827 150 N N 2.287 120.982 118.700 -0.007 0.000 2.525 150 N HA 0.036 4.281 4.740 -0.825 0.000 0.271 150 N C 0.575 176.199 175.510 0.190 0.000 1.194 150 N CA 0.086 53.151 53.050 0.025 0.000 0.964 150 N CB -0.232 38.260 38.487 0.008 0.000 1.126 150 N HN 0.426 nan 8.380 nan 0.000 0.452 151 N N -0.287 118.449 118.700 0.061 0.000 2.861 151 N HA -0.140 4.105 4.740 -0.825 0.000 0.247 151 N C -1.001 174.631 175.510 0.204 0.000 1.117 151 N CA 0.510 53.603 53.050 0.072 0.000 0.703 151 N CB -1.448 37.060 38.487 0.036 0.000 1.052 151 N HN 0.463 nan 8.380 nan 0.000 0.555 152 T N 1.019 115.713 114.554 0.233 0.000 2.779 152 T HA 0.108 3.963 4.350 -0.825 0.000 0.296 152 T C 1.709 176.574 174.700 0.275 0.000 0.938 152 T CA 0.005 62.317 62.100 0.354 0.000 1.119 152 T CB 1.179 70.267 68.868 0.366 0.000 0.891 152 T HN 0.152 nan 8.240 nan 0.000 0.526 153 Q N 1.960 121.908 119.800 0.246 0.000 2.224 153 Q HA 0.040 3.885 4.340 -0.825 0.000 0.203 153 Q C -0.100 176.082 176.000 0.304 0.000 0.970 153 Q CA 0.935 56.888 55.803 0.249 0.000 0.865 153 Q CB 0.305 29.132 28.738 0.148 0.000 0.922 153 Q HN 0.732 nan 8.270 nan 0.000 0.445 154 W N -1.326 119.984 121.300 0.016 0.000 3.736 154 W HA 0.393 4.558 4.660 -0.826 0.000 0.276 154 W C -2.149 174.335 176.519 -0.057 0.000 1.268 154 W CA -0.905 56.408 57.345 -0.052 0.000 1.216 154 W CB 0.840 30.183 29.460 -0.195 0.000 1.284 154 W HN -0.300 nan 8.180 nan 0.000 0.562 155 V N 4.991 124.463 119.914 -0.737 0.000 2.925 155 V HA 0.908 4.533 4.120 -0.825 0.000 0.311 155 V C -1.469 173.935 176.094 -1.151 0.000 1.104 155 V CA -0.148 61.698 62.300 -0.756 0.000 0.954 155 V CB 2.256 33.520 31.823 -0.931 0.000 1.022 155 V HN 0.633 nan 8.190 nan 0.000 0.427 156 T N 5.309 119.443 114.554 -0.700 0.000 2.993 156 T HA 0.537 4.392 4.350 -0.825 0.000 0.312 156 T C -1.198 173.519 174.700 0.027 0.000 1.115 156 T CA -0.323 61.522 62.100 -0.425 0.000 1.027 156 T CB 0.812 69.556 68.868 -0.207 0.000 1.116 156 T HN 0.693 nan 8.240 nan 0.000 0.464 157 W N 2.814 124.131 121.300 0.028 0.000 2.086 157 W HA 0.501 4.666 4.660 -0.825 0.000 0.355 157 W C 1.398 177.754 176.519 -0.273 0.000 1.313 157 W CA -0.396 56.932 57.345 -0.028 0.000 1.358 157 W CB 0.503 29.916 29.460 -0.079 0.000 1.166 157 W HN 0.814 nan 8.180 nan 0.000 0.630 158 S N 1.018 116.371 115.700 -0.579 0.000 2.641 158 S HA 0.229 4.203 4.470 -0.825 0.000 0.261 158 S C -1.476 172.728 174.600 -0.661 0.000 1.257 158 S CA -0.864 56.264 58.200 -1.787 0.000 0.983 158 S CB 0.908 63.225 63.200 -1.471 0.000 0.990 158 S HN 0.410 nan 8.310 nan 0.000 0.572 159 P HA 0.192 nan 4.420 nan 0.000 0.236 159 P C -0.369 176.853 177.300 -0.130 0.000 1.177 159 P CA 0.379 63.388 63.100 -0.152 0.000 0.773 159 P CB 0.005 31.671 31.700 -0.057 0.000 0.878 160 V N -1.273 118.519 119.914 -0.203 0.000 2.851 160 V HA 0.620 4.245 4.120 -0.825 0.000 0.307 160 V C 0.529 176.538 176.094 -0.142 0.000 1.129 160 V CA 0.004 62.225 62.300 -0.131 0.000 0.932 160 V CB 1.157 32.923 31.823 -0.094 0.000 1.024 160 V HN 0.434 nan 8.190 nan 0.000 0.426 161 G N 3.418 112.180 108.800 -0.062 0.000 2.578 161 G HA2 -0.130 3.335 3.960 -0.825 0.000 0.232 161 G HA3 -0.130 3.335 3.960 -0.825 0.000 0.232 161 G C 0.060 175.025 174.900 0.108 0.000 1.176 161 G CA 0.463 45.578 45.100 0.024 0.000 0.968 161 G HN 1.871 nan 8.290 nan 0.000 0.583 162 H N -0.035 119.067 119.070 0.052 0.000 3.109 162 H HA 0.381 4.441 4.556 -0.826 0.000 0.248 162 H C 0.250 175.811 175.328 0.388 0.000 1.177 162 H CA 0.017 56.210 56.048 0.242 0.000 0.977 162 H CB -0.336 29.631 29.762 0.342 0.000 2.165 162 H HN 0.525 nan 8.280 nan 0.000 0.693 163 K N 1.730 122.133 120.400 0.005 0.000 2.382 163 K HA 0.323 4.148 4.320 -0.825 0.000 0.275 163 K C -0.074 176.630 176.600 0.174 0.000 1.009 163 K CA -0.179 56.118 56.287 0.017 0.000 0.970 163 K CB 1.617 34.032 32.500 -0.141 0.000 0.934 163 K HN 0.136 nan 8.250 nan 0.000 0.479 164 L N 1.413 122.727 121.223 0.151 0.000 2.332 164 L HA 0.655 4.500 4.340 -0.825 0.000 0.269 164 L C -0.532 176.523 176.870 0.309 0.000 1.016 164 L CA -0.785 54.066 54.840 0.018 0.000 0.809 164 L CB 1.839 43.723 42.059 -0.291 0.000 1.280 164 L HN 0.740 nan 8.230 nan 0.000 0.447 165 A N 2.199 125.144 122.820 0.207 0.000 2.437 165 A HA 0.682 4.507 4.320 -0.825 0.000 0.293 165 A C -1.790 175.858 177.584 0.108 0.000 1.038 165 A CA -0.358 51.750 52.037 0.117 0.000 0.708 165 A CB 1.353 20.289 19.000 -0.106 0.000 1.251 165 A HN 0.617 nan 8.150 nan 0.000 0.409 166 Y N -0.289 119.950 120.300 -0.103 0.000 2.552 166 Y HA 0.712 4.766 4.550 -0.826 0.000 0.337 166 Y C -1.390 174.490 175.900 -0.033 0.000 1.094 166 Y CA -1.554 56.486 58.100 -0.100 0.000 1.028 166 Y CB 0.814 39.150 38.460 -0.207 0.000 1.321 166 Y HN 0.482 nan 8.280 nan 0.000 0.456 167 V N 2.792 122.739 119.914 0.056 0.000 2.472 167 V HA 0.433 4.057 4.120 -0.825 0.000 0.290 167 V C -1.238 174.932 176.094 0.126 0.000 1.037 167 V CA -0.576 61.713 62.300 -0.017 0.000 0.908 167 V CB 1.239 33.031 31.823 -0.053 0.000 0.985 167 V HN 0.908 nan 8.190 nan 0.000 0.454 168 W N 5.318 126.485 121.300 -0.222 0.000 3.423 168 W HA 0.446 4.612 4.660 -0.823 0.000 0.330 168 W C 0.027 176.428 176.519 -0.197 0.000 1.102 168 W CA -0.469 56.760 57.345 -0.194 0.000 1.261 168 W CB 1.004 30.296 29.460 -0.280 0.000 1.283 168 W HN 0.780 nan 8.180 nan 0.000 0.447 169 N N 5.387 123.771 118.700 -0.528 0.000 2.815 169 N HA -0.305 3.940 4.740 -0.825 0.000 0.249 169 N C 0.294 175.653 175.510 -0.253 0.000 1.114 169 N CA 0.991 53.717 53.050 -0.540 0.000 0.717 169 N CB -1.227 36.805 38.487 -0.758 0.000 1.074 169 N HN 0.877 nan 8.380 nan 0.000 0.555 170 N N -1.520 117.075 118.700 -0.175 0.000 2.909 170 N HA -0.167 4.078 4.740 -0.825 0.000 0.242 170 N C -1.396 174.044 175.510 -0.116 0.000 0.975 170 N CA 1.130 54.099 53.050 -0.135 0.000 0.921 170 N CB -0.384 37.989 38.487 -0.191 0.000 1.112 170 N HN 0.386 nan 8.380 nan 0.000 0.581 171 D N 0.831 121.192 120.400 -0.066 0.000 2.256 171 D HA 0.412 4.557 4.640 -0.825 0.000 0.246 171 D C 0.281 176.566 176.300 -0.025 0.000 1.042 171 D CA -0.378 53.584 54.000 -0.062 0.000 0.841 171 D CB 1.440 42.247 40.800 0.012 0.000 1.223 171 D HN 0.081 nan 8.370 nan 0.000 0.470 172 I N 2.213 122.646 120.570 -0.228 0.000 2.496 172 I HA 0.060 3.735 4.170 -0.825 0.000 0.285 172 I C -0.490 175.478 176.117 -0.247 0.000 1.080 172 I CA 0.048 61.175 61.300 -0.288 0.000 1.404 172 I CB 0.204 37.887 38.000 -0.529 0.000 1.403 172 I HN 0.135 nan 8.210 nan 0.000 0.539 173 Y N 4.657 124.581 120.300 -0.627 0.000 2.462 173 Y HA 0.606 4.661 4.550 -0.825 0.000 0.346 173 Y C -0.156 175.500 175.900 -0.407 0.000 0.976 173 Y CA -1.004 56.706 58.100 -0.649 0.000 1.044 173 Y CB 1.995 39.736 38.460 -1.197 0.000 1.230 173 Y HN 0.140 nan 8.280 nan 0.000 0.455 174 V N 2.972 122.858 119.914 -0.047 0.000 2.769 174 V HA 0.558 4.183 4.120 -0.825 0.000 0.312 174 V C -0.758 175.481 176.094 0.242 0.000 1.061 174 V CA -1.419 60.945 62.300 0.108 0.000 0.931 174 V CB 2.166 34.049 31.823 0.099 0.000 1.010 174 V HN 0.595 nan 8.190 nan 0.000 0.433 175 K N 3.200 123.749 120.400 0.247 0.000 2.579 175 K HA 0.485 4.310 4.320 -0.825 0.000 0.250 175 K C 0.311 177.026 176.600 0.192 0.000 0.952 175 K CA -0.645 55.760 56.287 0.195 0.000 0.857 175 K CB 1.622 34.178 32.500 0.094 0.000 1.123 175 K HN 0.466 nan 8.250 nan 0.000 0.433 176 I N 0.893 121.608 120.570 0.243 0.000 2.439 176 I HA -0.064 3.611 4.170 -0.825 0.000 0.251 176 I C 0.371 176.537 176.117 0.081 0.000 1.139 176 I CA 1.328 62.715 61.300 0.144 0.000 1.438 176 I CB -0.272 37.815 38.000 0.144 0.000 1.085 176 I HN 0.511 nan 8.210 nan 0.000 0.427 177 E N 0.241 120.500 120.200 0.099 0.000 2.222 177 E HA 0.282 4.137 4.350 -0.825 0.000 0.267 177 E C -1.835 174.758 176.600 -0.012 0.000 0.884 177 E CA -2.167 54.284 56.400 0.085 0.000 0.764 177 E CB 1.949 31.714 29.700 0.109 0.000 1.169 177 E HN -0.152 nan 8.360 nan 0.000 0.413 178 P HA -0.204 nan 4.420 nan 0.000 0.218 178 P C 0.870 178.096 177.300 -0.123 0.000 1.146 178 P CA 1.448 64.394 63.100 -0.258 0.000 0.820 178 P CB 0.388 31.692 31.700 -0.660 0.000 0.778 179 N N -1.149 117.521 118.700 -0.049 0.000 2.414 179 N HA -0.010 4.234 4.740 -0.825 0.000 0.177 179 N C 0.509 176.008 175.510 -0.019 0.000 1.062 179 N CA 0.231 53.272 53.050 -0.016 0.000 0.890 179 N CB -0.641 37.860 38.487 0.023 0.000 1.070 179 N HN 0.133 nan 8.380 nan 0.000 0.454 180 L N 2.590 123.809 121.223 -0.007 0.000 2.439 180 L HA 0.265 4.110 4.340 -0.825 0.000 0.269 180 L C -1.591 175.240 176.870 -0.065 0.000 1.179 180 L CA -1.646 53.184 54.840 -0.016 0.000 0.828 180 L CB 0.142 42.215 42.059 0.024 0.000 1.106 180 L HN 0.030 nan 8.230 nan 0.000 0.467 181 P HA -0.038 nan 4.420 nan 0.000 0.276 181 P C -0.803 176.342 177.300 -0.258 0.000 1.264 181 P CA -0.233 62.770 63.100 -0.162 0.000 0.815 181 P CB 0.382 31.974 31.700 -0.180 0.000 1.121 182 S N -1.974 113.562 115.700 -0.273 0.000 2.557 182 S HA 0.447 4.422 4.470 -0.825 0.000 0.291 182 S C -0.904 173.428 174.600 -0.446 0.000 1.116 182 S CA -0.799 57.221 58.200 -0.299 0.000 0.992 182 S CB 0.305 63.540 63.200 0.057 0.000 1.028 182 S HN 0.237 nan 8.310 nan 0.000 0.484 183 Y N 1.947 122.183 120.300 -0.106 0.000 2.697 183 Y HA 0.245 4.299 4.550 -0.826 0.000 0.349 183 Y C 1.310 176.970 175.900 -0.400 0.000 1.120 183 Y CA -0.443 57.554 58.100 -0.172 0.000 1.468 183 Y CB 0.298 38.705 38.460 -0.088 0.000 1.182 183 Y HN 0.593 nan 8.280 nan 0.000 0.525 184 R N 4.779 124.953 120.500 -0.544 0.000 2.343 184 R HA 0.056 3.901 4.340 -0.825 0.000 0.326 184 R C 0.503 176.464 176.300 -0.564 0.000 1.055 184 R CA -0.059 55.401 56.100 -1.067 0.000 0.961 184 R CB 0.166 29.595 30.300 -1.453 0.000 0.978 184 R HN 0.794 nan 8.270 nan 0.000 0.443 185 I N 2.567 122.845 120.570 -0.487 0.000 2.500 185 I HA -0.087 3.587 4.170 -0.825 0.000 0.252 185 I C 0.813 176.799 176.117 -0.218 0.000 1.142 185 I CA 1.119 62.263 61.300 -0.259 0.000 1.451 185 I CB -0.735 37.078 38.000 -0.312 0.000 1.093 185 I HN 0.513 nan 8.210 nan 0.000 0.430 186 T N -2.971 111.341 114.554 -0.404 0.000 2.906 186 T HA 0.408 4.262 4.350 -0.825 0.000 0.295 186 T C -0.604 173.881 174.700 -0.359 0.000 1.061 186 T CA -0.488 61.470 62.100 -0.237 0.000 1.000 186 T CB 1.920 70.589 68.868 -0.333 0.000 1.103 186 T HN 0.141 nan 8.240 nan 0.000 0.486 187 W N 0.096 121.319 121.300 -0.128 0.000 2.499 187 W HA 0.238 4.403 4.660 -0.825 0.000 0.362 187 W C 1.756 178.239 176.519 -0.060 0.000 0.945 187 W CA -0.421 56.877 57.345 -0.078 0.000 1.721 187 W CB -0.110 29.313 29.460 -0.061 0.000 1.156 187 W HN 0.886 nan 8.180 nan 0.000 0.547 188 T N -2.684 111.923 114.554 0.089 0.000 3.081 188 T HA 0.245 4.099 4.350 -0.825 0.000 0.250 188 T C 1.338 176.026 174.700 -0.020 0.000 1.100 188 T CA 0.288 62.411 62.100 0.038 0.000 1.038 188 T CB -0.205 68.672 68.868 0.015 0.000 0.962 188 T HN 0.032 nan 8.240 nan 0.000 0.516 189 G N 1.409 110.176 108.800 -0.055 0.000 2.224 189 G HA2 0.271 3.736 3.960 -0.825 0.000 0.239 189 G HA3 0.271 3.736 3.960 -0.825 0.000 0.239 189 G C -0.398 174.438 174.900 -0.106 0.000 1.240 189 G CA -0.289 44.749 45.100 -0.103 0.000 0.896 189 G HN 0.566 nan 8.290 nan 0.000 0.496 190 K N 2.514 122.819 120.400 -0.159 0.000 2.690 190 K HA 0.052 3.877 4.320 -0.825 0.000 0.305 190 K C -0.018 176.457 176.600 -0.209 0.000 1.200 190 K CA -0.583 55.616 56.287 -0.146 0.000 1.071 190 K CB 0.619 33.066 32.500 -0.089 0.000 1.366 190 K HN 0.696 nan 8.250 nan 0.000 0.513 191 E N 3.163 123.240 120.200 -0.206 0.000 3.417 191 E HA -0.214 3.641 4.350 -0.825 0.000 0.279 191 E C -0.615 175.885 176.600 -0.167 0.000 0.851 191 E CA 1.596 57.878 56.400 -0.196 0.000 0.980 191 E CB 0.195 29.813 29.700 -0.137 0.000 0.934 191 E HN 0.697 nan 8.360 nan 0.000 0.541 192 D N 2.471 122.762 120.400 -0.182 0.000 3.079 192 D HA -0.227 3.918 4.640 -0.825 0.000 0.214 192 D C 0.499 176.815 176.300 0.028 0.000 1.145 192 D CA 1.373 55.392 54.000 0.031 0.000 0.958 192 D CB -0.582 40.267 40.800 0.082 0.000 1.117 192 D HN 0.427 nan 8.370 nan 0.000 0.416 193 I N -1.540 118.924 120.570 -0.177 0.000 3.859 193 I HA 0.114 3.788 4.170 -0.825 0.000 0.266 193 I C 0.703 176.806 176.117 -0.023 0.000 1.132 193 I CA 0.415 61.708 61.300 -0.012 0.000 1.361 193 I CB -0.011 37.980 38.000 -0.015 0.000 1.690 193 I HN -0.144 nan 8.210 nan 0.000 0.424 194 I N 1.303 121.747 120.570 -0.211 0.000 2.441 194 I HA 0.334 4.008 4.170 -0.825 0.000 0.295 194 I C -1.252 174.695 176.117 -0.284 0.000 0.994 194 I CA -0.678 60.569 61.300 -0.088 0.000 1.144 194 I CB 1.079 39.053 38.000 -0.044 0.000 1.314 194 I HN 0.055 nan 8.210 nan 0.000 0.445 195 Y N 4.050 124.423 120.300 0.122 0.000 2.327 195 Y HA 0.388 4.442 4.550 -0.827 0.000 0.325 195 Y C 0.010 175.951 175.900 0.068 0.000 0.999 195 Y CA -0.777 57.396 58.100 0.121 0.000 1.195 195 Y CB 1.249 39.860 38.460 0.252 0.000 1.132 195 Y HN 0.411 nan 8.280 nan 0.000 0.455 196 N N 2.213 120.949 118.700 0.061 0.000 2.444 196 N HA 0.384 4.629 4.740 -0.825 0.000 0.262 196 N C 0.823 176.256 175.510 -0.127 0.000 0.974 196 N CA 0.411 53.427 53.050 -0.057 0.000 0.933 196 N CB 1.905 40.260 38.487 -0.221 0.000 1.137 196 N HN 0.991 nan 8.380 nan 0.000 0.498 197 G N 1.636 110.380 108.800 -0.094 0.000 2.179 197 G HA2 -0.249 3.216 3.960 -0.825 0.000 0.260 197 G HA3 -0.249 3.216 3.960 -0.825 0.000 0.260 197 G C 0.043 174.741 174.900 -0.337 0.000 0.977 197 G CA 0.634 45.594 45.100 -0.234 0.000 0.641 197 G HN 0.669 nan 8.290 nan 0.000 0.533 198 I N -1.992 118.455 120.570 -0.204 0.000 2.722 198 I HA 0.741 4.415 4.170 -0.825 0.000 0.295 198 I C 0.393 176.497 176.117 -0.022 0.000 1.161 198 I CA -0.698 60.377 61.300 -0.376 0.000 1.032 198 I CB 1.730 39.331 38.000 -0.665 0.000 1.244 198 I HN 0.143 nan 8.210 nan 0.000 0.421 199 T N 0.079 114.585 114.554 -0.080 0.000 2.771 199 T HA 0.420 4.275 4.350 -0.825 0.000 0.290 199 T C -0.188 174.338 174.700 -0.290 0.000 1.005 199 T CA -0.363 61.616 62.100 -0.202 0.000 0.944 199 T CB 0.805 69.624 68.868 -0.081 0.000 1.147 199 T HN 0.792 nan 8.240 nan 0.000 0.534 200 D N -1.592 118.491 120.400 -0.528 0.000 2.595 200 D HA 0.136 4.280 4.640 -0.825 0.000 0.268 200 D C 0.864 177.109 176.300 -0.091 0.000 1.181 200 D CA -1.116 52.555 54.000 -0.548 0.000 1.085 200 D CB -0.234 40.169 40.800 -0.661 0.000 1.186 200 D HN 0.635 nan 8.370 nan 0.000 0.621 201 W N -0.102 121.147 121.300 -0.084 0.000 2.335 201 W HA -0.178 3.992 4.660 -0.817 0.000 0.311 201 W C 2.084 178.492 176.519 -0.186 0.000 1.213 201 W CA 2.203 59.502 57.345 -0.076 0.000 1.274 201 W CB -0.404 28.961 29.460 -0.158 0.000 1.148 201 W HN 0.147 nan 8.180 nan 0.000 0.498 202 V N -0.057 119.892 119.914 0.058 0.000 2.307 202 V HA -0.312 3.313 4.120 -0.825 0.000 0.245 202 V C 1.988 177.863 176.094 -0.365 0.000 1.045 202 V CA 2.140 64.346 62.300 -0.157 0.000 1.024 202 V CB -0.815 30.939 31.823 -0.114 0.000 0.651 202 V HN 0.270 nan 8.190 nan 0.000 0.449 203 Y N 0.649 120.721 120.300 -0.380 0.000 2.293 203 Y HA -0.189 3.866 4.550 -0.826 0.000 0.291 203 Y C 2.568 178.306 175.900 -0.271 0.000 1.137 203 Y CA 2.013 59.867 58.100 -0.411 0.000 1.202 203 Y CB -0.170 37.941 38.460 -0.581 0.000 0.990 203 Y HN 0.451 nan 8.280 nan 0.000 0.537 204 E N 0.235 120.386 120.200 -0.082 0.000 2.150 204 E HA -0.249 3.606 4.350 -0.825 0.000 0.193 204 E C 1.860 178.433 176.600 -0.046 0.000 0.985 204 E CA 1.438 57.841 56.400 0.005 0.000 0.814 204 E CB 0.087 29.809 29.700 0.035 0.000 0.752 204 E HN 0.466 nan 8.360 nan 0.000 0.466 205 E N 0.676 120.662 120.200 -0.356 0.000 2.035 205 E HA -0.083 3.772 4.350 -0.825 0.000 0.191 205 E C 1.582 178.044 176.600 -0.230 0.000 0.966 205 E CA 1.206 57.376 56.400 -0.384 0.000 0.823 205 E CB 0.030 29.194 29.700 -0.892 0.000 0.791 205 E HN 0.157 nan 8.360 nan 0.000 0.459 206 E N -0.114 119.898 120.200 -0.312 0.000 2.502 206 E HA 0.041 3.896 4.350 -0.825 0.000 0.194 206 E C 1.144 177.566 176.600 -0.296 0.000 1.062 206 E CA 0.236 56.508 56.400 -0.215 0.000 0.867 206 E CB 1.109 30.687 29.700 -0.204 0.000 0.888 206 E HN 0.188 nan 8.360 nan 0.000 0.510 207 V N -1.202 118.494 119.914 -0.363 0.000 3.141 207 V HA 0.058 3.682 4.120 -0.825 0.000 0.225 207 V C 0.658 176.476 176.094 -0.459 0.000 1.352 207 V CA 0.322 62.305 62.300 -0.528 0.000 1.316 207 V CB 0.155 31.455 31.823 -0.872 0.000 1.126 207 V HN 0.034 nan 8.190 nan 0.000 0.493 208 F N 0.581 120.539 119.950 0.013 0.000 2.661 208 F HA 0.391 4.423 4.527 -0.826 0.000 0.306 208 F C 1.459 177.230 175.800 -0.048 0.000 1.094 208 F CA -0.480 57.543 58.000 0.038 0.000 1.254 208 F CB -0.205 38.850 39.000 0.091 0.000 1.040 208 F HN -0.015 nan 8.300 nan 0.000 0.562 209 S N 1.383 117.120 115.700 0.061 0.000 3.313 209 S HA 0.002 3.977 4.470 -0.825 0.000 0.384 209 S C 0.262 174.453 174.600 -0.682 0.000 0.956 209 S CA 0.668 58.776 58.200 -0.153 0.000 1.212 209 S CB -1.405 61.740 63.200 -0.092 0.000 0.892 209 S HN 0.650 nan 8.310 nan 0.000 0.469 210 A N -0.554 122.148 122.820 -0.197 0.000 2.590 210 A HA 0.588 4.413 4.320 -0.825 0.000 0.296 210 A C -0.192 177.430 177.584 0.064 0.000 1.050 210 A CA -0.532 51.435 52.037 -0.117 0.000 0.697 210 A CB 0.127 19.052 19.000 -0.124 0.000 1.277 210 A HN 0.218 nan 8.150 nan 0.000 0.411 211 Y N 1.959 122.185 120.300 -0.123 0.000 2.263 211 Y HA 0.080 4.136 4.550 -0.823 0.000 0.292 211 Y C 1.751 177.381 175.900 -0.450 0.000 1.130 211 Y CA 1.545 59.524 58.100 -0.201 0.000 1.179 211 Y CB -0.183 38.173 38.460 -0.173 0.000 0.998 211 Y HN 0.868 nan 8.280 nan 0.000 0.532 212 S N 0.461 115.651 115.700 -0.850 0.000 2.569 212 S HA 0.373 4.348 4.470 -0.825 0.000 0.274 212 S C 0.088 174.106 174.600 -0.970 0.000 1.353 212 S CA 0.190 57.524 58.200 -1.443 0.000 1.023 212 S CB 0.384 62.224 63.200 -2.266 0.000 0.876 212 S HN 0.601 nan 8.310 nan 0.000 0.540 213 A N 3.721 125.913 122.820 -1.045 0.000 3.426 213 A HA 0.478 4.303 4.320 -0.825 0.000 0.222 213 A C -0.608 176.255 177.584 -1.201 0.000 1.090 213 A CA -0.587 50.817 52.037 -1.054 0.000 1.026 213 A CB -0.523 18.271 19.000 -0.342 0.000 1.342 213 A HN 1.462 nan 8.150 nan 0.000 0.695 214 L N -3.489 116.798 121.223 -1.559 0.000 2.641 214 L HA 0.743 4.588 4.340 -0.825 0.000 0.261 214 L C -1.948 174.507 176.870 -0.692 0.000 0.926 214 L CA -0.777 53.571 54.840 -0.819 0.000 0.917 214 L CB 1.210 43.033 42.059 -0.393 0.000 1.361 214 L HN 0.359 nan 8.230 nan 0.000 0.417 215 W N 2.797 124.165 121.300 0.113 0.000 2.362 215 W HA 0.342 4.507 4.660 -0.826 0.000 0.316 215 W C -0.638 176.148 176.519 0.445 0.000 1.024 215 W CA -0.748 56.781 57.345 0.306 0.000 1.270 215 W CB 1.232 30.914 29.460 0.370 0.000 1.273 215 W HN 0.654 nan 8.180 nan 0.000 0.424 216 W N 1.972 123.498 121.300 0.375 0.000 2.005 216 W HA 0.091 4.256 4.660 -0.825 0.000 0.358 216 W C 1.222 177.645 176.519 -0.160 0.000 1.343 216 W CA 0.599 58.041 57.345 0.161 0.000 1.355 216 W CB 0.411 29.923 29.460 0.086 0.000 1.263 216 W HN 0.162 nan 8.180 nan 0.000 0.643 217 S N 0.003 115.571 115.700 -0.220 0.000 2.690 217 S HA 0.370 4.345 4.470 -0.825 0.000 0.291 217 S C -2.014 172.333 174.600 -0.422 0.000 1.138 217 S CA -1.311 56.185 58.200 -1.174 0.000 1.013 217 S CB 1.389 63.851 63.200 -1.230 0.000 1.053 217 S HN 0.204 nan 8.310 nan 0.000 0.539 218 P HA -0.223 nan 4.420 nan 0.000 0.219 218 P C 0.901 178.147 177.300 -0.091 0.000 1.158 218 P CA 1.895 64.936 63.100 -0.098 0.000 0.895 218 P CB -0.185 31.502 31.700 -0.021 0.000 0.792 219 N N -2.324 116.307 118.700 -0.116 0.000 2.254 219 N HA 0.133 4.378 4.740 -0.825 0.000 0.190 219 N C 0.869 176.281 175.510 -0.165 0.000 1.107 219 N CA 0.695 53.677 53.050 -0.113 0.000 0.869 219 N CB -0.576 37.862 38.487 -0.082 0.000 0.983 219 N HN 0.194 nan 8.380 nan 0.000 0.487 220 G N -0.911 107.791 108.800 -0.164 0.000 2.255 220 G HA2 -0.226 3.239 3.960 -0.825 0.000 0.239 220 G HA3 -0.226 3.239 3.960 -0.825 0.000 0.239 220 G C 0.395 175.279 174.900 -0.026 0.000 1.083 220 G CA 0.456 45.472 45.100 -0.140 0.000 0.826 220 G HN 0.350 nan 8.290 nan 0.000 0.493 221 T N -0.526 113.959 114.554 -0.115 0.000 3.042 221 T HA 0.362 4.216 4.350 -0.825 0.000 0.245 221 T C 0.436 174.945 174.700 -0.319 0.000 1.029 221 T CA 0.691 62.611 62.100 -0.300 0.000 1.120 221 T CB 0.136 68.659 68.868 -0.576 0.000 0.917 221 T HN 0.255 nan 8.240 nan 0.000 0.467 222 F N 1.665 121.657 119.950 0.071 0.000 2.427 222 F HA 0.594 4.625 4.527 -0.826 0.000 0.346 222 F C -0.385 175.526 175.800 0.184 0.000 1.120 222 F CA -1.893 56.200 58.000 0.155 0.000 1.033 222 F CB 1.150 40.338 39.000 0.313 0.000 1.126 222 F HN -0.083 nan 8.300 nan 0.000 0.462 223 L N 4.238 125.639 121.223 0.296 0.000 2.277 223 L HA 0.791 4.636 4.340 -0.825 0.000 0.284 223 L C -0.262 176.706 176.870 0.163 0.000 1.028 223 L CA -0.450 54.423 54.840 0.056 0.000 0.835 223 L CB 0.173 42.059 42.059 -0.287 0.000 1.215 223 L HN 0.646 nan 8.230 nan 0.000 0.425 224 A N 5.082 128.043 122.820 0.236 0.000 2.293 224 A HA 0.761 4.586 4.320 -0.825 0.000 0.302 224 A C -1.319 176.303 177.584 0.064 0.000 1.119 224 A CA -0.211 51.796 52.037 -0.051 0.000 0.823 224 A CB 0.554 19.498 19.000 -0.092 0.000 1.097 224 A HN 0.920 nan 8.150 nan 0.000 0.491 225 Y N -2.167 117.964 120.300 -0.281 0.000 2.565 225 Y HA 0.681 4.735 4.550 -0.826 0.000 0.330 225 Y C -0.361 175.517 175.900 -0.037 0.000 1.150 225 Y CA -0.751 57.266 58.100 -0.138 0.000 1.055 225 Y CB 0.584 38.904 38.460 -0.233 0.000 1.337 225 Y HN 0.948 nan 8.280 nan 0.000 0.457 226 A N 2.809 125.774 122.820 0.243 0.000 2.269 226 A HA 0.728 4.553 4.320 -0.825 0.000 0.319 226 A C -0.961 176.571 177.584 -0.087 0.000 1.110 226 A CA -0.755 51.359 52.037 0.129 0.000 0.847 226 A CB 1.614 20.711 19.000 0.162 0.000 1.161 226 A HN 0.851 nan 8.150 nan 0.000 0.497 227 Q N 0.385 119.986 119.800 -0.330 0.000 2.285 227 Q HA 0.601 4.445 4.340 -0.825 0.000 0.269 227 Q C -2.204 173.473 176.000 -0.540 0.000 1.030 227 Q CA -0.353 55.293 55.803 -0.262 0.000 0.788 227 Q CB 1.162 29.905 28.738 0.008 0.000 1.266 227 Q HN 0.578 nan 8.270 nan 0.000 0.438 228 F N 2.476 122.534 119.950 0.180 0.000 2.482 228 F HA 0.405 4.438 4.527 -0.823 0.000 0.331 228 F C 0.293 176.269 175.800 0.293 0.000 1.115 228 F CA -0.956 57.156 58.000 0.186 0.000 0.955 228 F CB 1.548 40.598 39.000 0.083 0.000 1.136 228 F HN 0.461 nan 8.300 nan 0.000 0.452 229 N N 2.582 121.511 118.700 0.381 0.000 2.800 229 N HA 0.144 4.388 4.740 -0.825 0.000 0.240 229 N C 0.014 175.705 175.510 0.302 0.000 1.096 229 N CA -0.207 53.022 53.050 0.297 0.000 0.877 229 N CB 0.326 38.932 38.487 0.199 0.000 1.138 229 N HN 0.496 nan 8.380 nan 0.000 0.509 230 D N 1.118 121.740 120.400 0.370 0.000 2.371 230 D HA -0.060 4.084 4.640 -0.825 0.000 0.221 230 D C 1.203 177.629 176.300 0.210 0.000 0.986 230 D CA 0.518 54.704 54.000 0.310 0.000 0.899 230 D CB 0.219 41.259 40.800 0.400 0.000 0.902 230 D HN 0.497 nan 8.370 nan 0.000 0.530 231 T N 1.238 115.894 114.554 0.171 0.000 2.578 231 T HA -0.290 3.565 4.350 -0.825 0.000 0.252 231 T C 1.249 176.010 174.700 0.101 0.000 1.192 231 T CA 1.714 63.885 62.100 0.118 0.000 1.143 231 T CB -0.309 68.617 68.868 0.097 0.000 0.848 231 T HN 0.386 nan 8.240 nan 0.000 0.450 232 E N 0.517 120.777 120.200 0.099 0.000 2.368 232 E HA 0.236 4.090 4.350 -0.825 0.000 0.188 232 E C -0.607 176.045 176.600 0.086 0.000 1.061 232 E CA -0.310 56.138 56.400 0.080 0.000 0.933 232 E CB 0.372 30.112 29.700 0.066 0.000 1.091 232 E HN 0.207 nan 8.360 nan 0.000 0.458 233 V N 3.093 123.073 119.914 0.109 0.000 2.432 233 V HA 0.139 3.763 4.120 -0.825 0.000 0.271 233 V C -2.018 174.136 176.094 0.099 0.000 1.046 233 V CA -1.804 60.565 62.300 0.115 0.000 0.945 233 V CB 0.865 32.778 31.823 0.150 0.000 0.992 233 V HN 0.083 nan 8.190 nan 0.000 0.471 234 P HA 0.209 nan 4.420 nan 0.000 0.269 234 P C -0.696 176.643 177.300 0.066 0.000 1.209 234 P CA -0.048 63.090 63.100 0.065 0.000 0.776 234 P CB 0.493 32.229 31.700 0.059 0.000 0.876 235 L N 2.750 123.991 121.223 0.030 0.000 2.322 235 L HA 0.481 4.326 4.340 -0.825 0.000 0.279 235 L C 0.295 177.123 176.870 -0.069 0.000 1.036 235 L CA -0.996 53.845 54.840 0.002 0.000 0.807 235 L CB 1.090 43.146 42.059 -0.005 0.000 1.226 235 L HN 0.292 nan 8.230 nan 0.000 0.433 236 I N 1.860 122.342 120.570 -0.146 0.000 2.428 236 I HA 0.307 3.982 4.170 -0.825 0.000 0.296 236 I C -0.543 175.444 176.117 -0.216 0.000 0.985 236 I CA -0.070 61.055 61.300 -0.292 0.000 1.260 236 I CB 1.230 38.823 38.000 -0.677 0.000 1.389 236 I HN 0.569 nan 8.210 nan 0.000 0.484 237 E N 7.281 127.369 120.200 -0.186 0.000 2.246 237 E HA 0.460 4.315 4.350 -0.825 0.000 0.266 237 E C -1.884 174.654 176.600 -0.104 0.000 0.880 237 E CA -0.579 55.716 56.400 -0.176 0.000 0.762 237 E CB 2.006 31.622 29.700 -0.139 0.000 1.180 237 E HN 0.535 nan 8.360 nan 0.000 0.416 238 Y N -1.510 118.690 120.300 -0.168 0.000 2.513 238 Y HA 0.517 4.557 4.550 -0.850 0.000 0.340 238 Y C -0.543 175.266 175.900 -0.153 0.000 1.055 238 Y CA -1.304 56.698 58.100 -0.163 0.000 1.020 238 Y CB 0.859 39.218 38.460 -0.168 0.000 1.301 238 Y HN 0.229 nan 8.280 nan 0.000 0.453 239 S N 2.947 118.577 115.700 -0.117 0.000 2.562 239 S HA 0.322 4.297 4.470 -0.825 0.000 0.281 239 S C -1.092 173.255 174.600 -0.422 0.000 1.333 239 S CA -0.200 57.782 58.200 -0.362 0.000 1.052 239 S CB 0.287 63.149 63.200 -0.564 0.000 0.884 239 S HN 0.571 nan 8.310 nan 0.000 0.506 240 F N 2.071 121.674 119.950 -0.579 0.000 2.518 240 F HA 0.461 4.499 4.527 -0.816 0.000 0.323 240 F C -0.523 174.967 175.800 -0.516 0.000 1.129 240 F CA -1.103 56.670 58.000 -0.377 0.000 0.920 240 F CB 1.001 39.914 39.000 -0.144 0.000 1.160 240 F HN 0.599 nan 8.300 nan 0.000 0.440 241 Y N 3.114 123.091 120.300 -0.538 0.000 2.457 241 Y HA 0.215 4.199 4.550 -0.943 0.000 0.263 241 Y C 1.577 177.337 175.900 -0.235 0.000 1.164 241 Y CA 0.617 58.543 58.100 -0.290 0.000 1.274 241 Y CB -0.668 37.638 38.460 -0.257 0.000 1.097 241 Y HN 0.774 nan 8.280 nan 0.000 0.523 242 S N 0.233 115.746 115.700 -0.311 0.000 2.865 242 S HA -0.373 3.601 4.470 -0.825 0.000 0.630 242 S C 0.634 175.277 174.600 0.071 0.000 3.160 242 S CA 1.107 59.387 58.200 0.133 0.000 3.629 242 S CB -1.158 62.226 63.200 0.307 0.000 0.312 242 S HN 0.626 nan 8.310 nan 0.000 1.632 243 D N 0.418 120.890 120.400 0.120 0.000 1.981 243 D HA 0.141 4.285 4.640 -0.825 0.000 0.243 243 D C 1.503 177.832 176.300 0.048 0.000 1.233 243 D CA 0.867 54.914 54.000 0.078 0.000 0.945 243 D CB 0.054 40.901 40.800 0.078 0.000 1.370 243 D HN 0.560 nan 8.370 nan 0.000 0.533 244 E N -1.403 118.819 120.200 0.037 0.000 2.460 244 E HA -0.008 3.847 4.350 -0.825 0.000 0.200 244 E C 1.259 177.873 176.600 0.024 0.000 1.011 244 E CA 0.153 56.565 56.400 0.020 0.000 0.912 244 E CB 0.228 29.934 29.700 0.010 0.000 0.953 244 E HN 0.392 nan 8.360 nan 0.000 0.494 245 S N 0.327 116.049 115.700 0.037 0.000 2.478 245 S HA -0.002 3.972 4.470 -0.825 0.000 0.222 245 S C 0.939 175.570 174.600 0.052 0.000 1.008 245 S CA -0.338 57.885 58.200 0.038 0.000 0.928 245 S CB -0.139 63.085 63.200 0.040 0.000 0.781 245 S HN 0.184 nan 8.310 nan 0.000 0.518 246 L N 3.385 124.647 121.223 0.066 0.000 2.704 246 L HA 0.154 3.999 4.340 -0.825 0.000 0.279 246 L C 1.572 178.495 176.870 0.088 0.000 1.147 246 L CA 0.230 55.123 54.840 0.087 0.000 0.994 246 L CB -0.092 42.028 42.059 0.102 0.000 1.332 246 L HN 0.298 nan 8.230 nan 0.000 0.471 247 Q N 3.767 123.632 119.800 0.108 0.000 2.181 247 Q HA -0.161 3.684 4.340 -0.825 0.000 0.205 247 Q C -0.548 175.457 176.000 0.009 0.000 0.980 247 Q CA 1.508 57.355 55.803 0.073 0.000 0.862 247 Q CB 0.121 28.951 28.738 0.154 0.000 0.905 247 Q HN 0.688 nan 8.270 nan 0.000 0.429 248 Y N 0.899 121.205 120.300 0.010 0.000 2.326 248 Y HA 0.364 4.418 4.550 -0.828 0.000 0.329 248 Y C -2.056 173.840 175.900 -0.007 0.000 0.973 248 Y CA -2.878 55.223 58.100 0.001 0.000 1.162 248 Y CB 1.476 39.930 38.460 -0.010 0.000 1.147 248 Y HN 0.149 nan 8.280 nan 0.000 0.456 249 P HA -0.035 nan 4.420 nan 0.000 0.264 249 P C -1.055 176.223 177.300 -0.036 0.000 1.183 249 P CA -0.078 63.011 63.100 -0.019 0.000 0.763 249 P CB 0.949 32.584 31.700 -0.109 0.000 0.807 250 K N 0.869 121.240 120.400 -0.048 0.000 2.098 250 K HA 0.495 4.320 4.320 -0.825 0.000 0.261 250 K C -0.357 176.176 176.600 -0.111 0.000 0.987 250 K CA -0.727 55.536 56.287 -0.041 0.000 0.916 250 K CB 0.419 32.923 32.500 0.006 0.000 1.039 250 K HN 0.162 nan 8.250 nan 0.000 0.455 251 T N 2.195 116.673 114.554 -0.126 0.000 2.853 251 T HA 0.182 4.037 4.350 -0.825 0.000 0.317 251 T C -0.382 174.176 174.700 -0.236 0.000 1.059 251 T CA -0.724 61.265 62.100 -0.185 0.000 0.954 251 T CB 0.543 69.324 68.868 -0.145 0.000 0.994 251 T HN 0.388 nan 8.240 nan 0.000 0.479 252 V N 5.700 125.382 119.914 -0.386 0.000 2.521 252 V HA 0.273 3.898 4.120 -0.825 0.000 0.286 252 V C 0.662 176.490 176.094 -0.442 0.000 1.034 252 V CA -0.123 61.893 62.300 -0.473 0.000 1.045 252 V CB -0.051 31.265 31.823 -0.844 0.000 0.974 252 V HN 0.692 nan 8.190 nan 0.000 0.480 253 R N 3.680 124.046 120.500 -0.223 0.000 2.412 253 R HA 0.583 4.428 4.340 -0.825 0.000 0.304 253 R C -0.943 175.338 176.300 -0.032 0.000 1.066 253 R CA -0.432 55.585 56.100 -0.139 0.000 0.923 253 R CB 2.000 32.246 30.300 -0.091 0.000 1.156 253 R HN 0.595 nan 8.270 nan 0.000 0.513 254 V N 3.037 122.942 119.914 -0.015 0.000 2.547 254 V HA 0.555 4.180 4.120 -0.825 0.000 0.299 254 V C -2.524 173.631 176.094 0.102 0.000 1.040 254 V CA -2.890 59.472 62.300 0.104 0.000 0.913 254 V CB 2.137 34.065 31.823 0.175 0.000 0.992 254 V HN 0.484 nan 8.190 nan 0.000 0.449 255 P HA 0.240 nan 4.420 nan 0.000 0.275 255 P C -1.816 175.607 177.300 0.205 0.000 1.276 255 P CA 0.521 63.737 63.100 0.193 0.000 0.782 255 P CB -0.276 31.582 31.700 0.263 0.000 0.851 256 Y N 6.715 126.996 120.300 -0.031 0.000 2.361 256 Y HA 0.475 4.537 4.550 -0.813 0.000 0.328 256 Y C -2.893 172.970 175.900 -0.062 0.000 1.044 256 Y CA -2.958 55.068 58.100 -0.124 0.000 1.085 256 Y CB 1.971 40.200 38.460 -0.384 0.000 1.194 256 Y HN 0.267 nan 8.280 nan 0.000 0.438 257 P HA 0.356 nan 4.420 nan 0.000 0.297 257 P C -1.291 176.060 177.300 0.084 0.000 1.319 257 P CA -0.445 62.706 63.100 0.085 0.000 0.810 257 P CB 2.148 33.871 31.700 0.039 0.000 0.947 258 K N 1.661 122.170 120.400 0.182 0.000 2.132 258 K HA 0.613 4.438 4.320 -0.825 0.000 0.241 258 K C 0.321 176.980 176.600 0.098 0.000 1.000 258 K CA -0.885 55.510 56.287 0.181 0.000 0.911 258 K CB 0.917 33.527 32.500 0.184 0.000 1.093 258 K HN 0.470 nan 8.250 nan 0.000 0.460 259 A N 0.558 123.440 122.820 0.103 0.000 2.584 259 A HA 0.259 4.084 4.320 -0.825 0.000 0.239 259 A C 1.219 178.790 177.584 -0.021 0.000 1.043 259 A CA 1.169 53.241 52.037 0.059 0.000 0.756 259 A CB -1.224 17.796 19.000 0.034 0.000 0.963 259 A HN 0.917 nan 8.150 nan 0.000 0.511 260 G N 0.990 109.791 108.800 0.003 0.000 2.212 260 G HA2 0.023 3.488 3.960 -0.825 0.000 0.266 260 G HA3 0.023 3.488 3.960 -0.825 0.000 0.266 260 G C 0.931 175.838 174.900 0.010 0.000 0.978 260 G CA 1.210 46.304 45.100 -0.011 0.000 0.632 260 G HN 2.187 nan 8.290 nan 0.000 0.537 261 A N -0.739 122.099 122.820 0.030 0.000 2.238 261 A HA 0.601 4.426 4.320 -0.825 0.000 0.276 261 A C 0.801 178.412 177.584 0.046 0.000 1.464 261 A CA 0.956 53.019 52.037 0.043 0.000 0.835 261 A CB 0.044 19.084 19.000 0.067 0.000 1.277 261 A HN 1.134 nan 8.150 nan 0.000 0.534 262 V N 1.978 121.927 119.914 0.057 0.000 2.311 262 V HA 0.187 3.812 4.120 -0.825 0.000 0.275 262 V C -0.152 175.990 176.094 0.080 0.000 1.022 262 V CA -0.701 61.635 62.300 0.059 0.000 0.830 262 V CB 0.523 32.382 31.823 0.061 0.000 1.012 262 V HN 0.702 nan 8.190 nan 0.000 0.452 263 N N 6.351 125.098 118.700 0.078 0.000 2.503 263 N HA 0.328 4.572 4.740 -0.825 0.000 0.267 263 N C -2.259 173.345 175.510 0.156 0.000 1.214 263 N CA -0.928 52.194 53.050 0.121 0.000 0.959 263 N CB 1.359 39.916 38.487 0.117 0.000 1.142 263 N HN 0.385 nan 8.380 nan 0.000 0.455 264 P HA 0.068 nan 4.420 nan 0.000 0.271 264 P C -0.416 177.080 177.300 0.327 0.000 1.218 264 P CA -0.135 63.146 63.100 0.303 0.000 0.780 264 P CB 0.415 32.341 31.700 0.376 0.000 0.901 265 T N -0.796 113.926 114.554 0.280 0.000 2.918 265 T HA 0.536 4.391 4.350 -0.825 0.000 0.283 265 T C -0.008 174.861 174.700 0.282 0.000 1.001 265 T CA -0.769 61.464 62.100 0.220 0.000 1.041 265 T CB 1.486 70.446 68.868 0.154 0.000 1.028 265 T HN 0.362 nan 8.240 nan 0.000 0.511 266 V N 0.364 120.419 119.914 0.235 0.000 3.078 266 V HA 0.799 4.424 4.120 -0.825 0.000 0.311 266 V C -1.599 174.603 176.094 0.179 0.000 1.138 266 V CA -0.914 61.440 62.300 0.089 0.000 1.007 266 V CB 2.160 34.080 31.823 0.162 0.000 1.045 266 V HN 1.032 nan 8.190 nan 0.000 0.432 267 K N 3.771 124.234 120.400 0.105 0.000 2.527 267 K HA 0.517 4.342 4.320 -0.825 0.000 0.260 267 K C -2.089 174.709 176.600 0.330 0.000 0.937 267 K CA -0.445 56.001 56.287 0.266 0.000 0.826 267 K CB 2.662 35.404 32.500 0.402 0.000 1.359 267 K HN 0.524 nan 8.250 nan 0.000 0.434 268 F N 2.514 122.490 119.950 0.043 0.000 2.482 268 F HA 0.589 4.620 4.527 -0.826 0.000 0.331 268 F C -1.390 174.276 175.800 -0.222 0.000 1.115 268 F CA -0.798 57.173 58.000 -0.048 0.000 0.955 268 F CB 0.748 39.706 39.000 -0.069 0.000 1.136 268 F HN 0.353 nan 8.300 nan 0.000 0.452 269 F N 3.704 123.068 119.950 -0.976 0.000 2.603 269 F HA 0.798 4.830 4.527 -0.826 0.000 0.317 269 F C -0.873 174.275 175.800 -1.087 0.000 1.066 269 F CA -1.297 56.160 58.000 -0.905 0.000 0.941 269 F CB 1.921 40.354 39.000 -0.944 0.000 1.291 269 F HN 0.140 nan 8.300 nan 0.000 0.472 270 V N 1.735 121.391 119.914 -0.429 0.000 2.925 270 V HA 0.788 4.413 4.120 -0.825 0.000 0.311 270 V C -1.322 174.812 176.094 0.066 0.000 1.104 270 V CA -0.900 61.211 62.300 -0.314 0.000 0.954 270 V CB 2.261 33.673 31.823 -0.685 0.000 1.022 270 V HN 0.646 nan 8.190 nan 0.000 0.427 271 V N 2.784 122.837 119.914 0.232 0.000 2.888 271 V HA 0.585 4.210 4.120 -0.825 0.000 0.309 271 V C -0.940 175.381 176.094 0.378 0.000 1.114 271 V CA -0.609 61.869 62.300 0.297 0.000 0.940 271 V CB 2.320 34.276 31.823 0.222 0.000 1.021 271 V HN 0.967 nan 8.190 nan 0.000 0.426 272 N N 3.201 122.102 118.700 0.335 0.000 2.411 272 N HA 0.127 4.372 4.740 -0.825 0.000 0.259 272 N C 1.127 176.663 175.510 0.043 0.000 1.103 272 N CA 0.722 53.882 53.050 0.184 0.000 0.954 272 N CB 1.871 40.440 38.487 0.136 0.000 1.085 272 N HN 0.961 nan 8.380 nan 0.000 0.485 273 T N 0.259 114.814 114.554 0.002 0.000 2.904 273 T HA -0.061 3.794 4.350 -0.825 0.000 0.267 273 T C 0.957 175.609 174.700 -0.081 0.000 1.059 273 T CA 0.894 62.990 62.100 -0.007 0.000 1.137 273 T CB 0.006 68.958 68.868 0.139 0.000 0.879 273 T HN 0.403 nan 8.240 nan 0.000 0.467 274 D N 2.453 122.794 120.400 -0.098 0.000 2.178 274 D HA -0.053 4.091 4.640 -0.825 0.000 0.201 274 D C 1.130 177.368 176.300 -0.103 0.000 0.980 274 D CA 1.440 55.378 54.000 -0.104 0.000 0.842 274 D CB -0.208 40.522 40.800 -0.115 0.000 0.948 274 D HN 0.637 nan 8.370 nan 0.000 0.472 275 S N 0.735 116.385 115.700 -0.083 0.000 3.315 275 S HA 0.467 4.442 4.470 -0.825 0.000 0.195 275 S C -0.035 174.512 174.600 -0.087 0.000 1.394 275 S CA -0.651 57.513 58.200 -0.060 0.000 0.983 275 S CB -0.206 62.993 63.200 -0.001 0.000 1.370 275 S HN 0.045 nan 8.310 nan 0.000 0.491 276 L N 1.982 123.085 121.223 -0.201 0.000 2.342 276 L HA 0.491 4.335 4.340 -0.825 0.000 0.276 276 L C 0.304 177.053 176.870 -0.202 0.000 0.997 276 L CA -0.559 54.121 54.840 -0.267 0.000 0.838 276 L CB 1.890 43.583 42.059 -0.611 0.000 1.224 276 L HN 0.515 nan 8.230 nan 0.000 0.416 277 S N 0.776 116.468 115.700 -0.013 0.000 2.531 277 S HA 0.070 4.045 4.470 -0.825 0.000 0.279 277 S C 1.315 176.039 174.600 0.207 0.000 1.305 277 S CA -0.053 58.194 58.200 0.078 0.000 1.058 277 S CB 1.113 64.353 63.200 0.068 0.000 0.899 277 S HN 0.747 nan 8.310 nan 0.000 0.493 278 S N 4.089 119.934 115.700 0.241 0.000 2.489 278 S HA -0.026 3.949 4.470 -0.825 0.000 0.228 278 S C 1.472 176.154 174.600 0.136 0.000 0.995 278 S CA 0.697 59.042 58.200 0.241 0.000 0.934 278 S CB -0.170 63.136 63.200 0.177 0.000 0.771 278 S HN 0.552 nan 8.310 nan 0.000 0.522 279 V N 1.419 121.398 119.914 0.109 0.000 2.725 279 V HA 0.136 3.761 4.120 -0.825 0.000 0.247 279 V C 0.998 177.132 176.094 0.067 0.000 1.058 279 V CA 1.450 63.794 62.300 0.073 0.000 1.080 279 V CB -0.081 31.774 31.823 0.054 0.000 0.713 279 V HN 0.640 nan 8.190 nan 0.000 0.465 280 T N -0.441 114.161 114.554 0.080 0.000 2.926 280 T HA 0.417 4.272 4.350 -0.825 0.000 0.289 280 T C -0.631 174.127 174.700 0.096 0.000 1.054 280 T CA -0.684 61.454 62.100 0.064 0.000 1.015 280 T CB 1.339 70.233 68.868 0.043 0.000 1.167 280 T HN 0.032 nan 8.240 nan 0.000 0.526 281 N N 1.357 120.098 118.700 0.068 0.000 2.458 281 N HA 0.505 4.750 4.740 -0.825 0.000 0.270 281 N C 0.219 175.793 175.510 0.106 0.000 1.102 281 N CA -0.297 52.821 53.050 0.112 0.000 0.967 281 N CB 0.902 39.402 38.487 0.021 0.000 1.078 281 N HN 0.893 nan 8.380 nan 0.000 0.471 282 A N 1.960 124.860 122.820 0.135 0.000 2.577 282 A HA 0.173 3.998 4.320 -0.825 0.000 0.233 282 A C 0.117 177.775 177.584 0.122 0.000 1.076 282 A CA 0.365 52.468 52.037 0.110 0.000 0.767 282 A CB -0.039 19.019 19.000 0.096 0.000 1.017 282 A HN 0.570 nan 8.150 nan 0.000 0.511 283 T N 2.031 116.665 114.554 0.133 0.000 2.833 283 T HA 0.476 4.331 4.350 -0.825 0.000 0.297 283 T C -0.409 174.413 174.700 0.202 0.000 1.015 283 T CA -0.273 61.921 62.100 0.156 0.000 0.963 283 T CB 0.983 69.934 68.868 0.137 0.000 0.955 283 T HN 0.557 nan 8.240 nan 0.000 0.449 284 S N 3.824 119.674 115.700 0.249 0.000 2.457 284 S HA 0.462 4.437 4.470 -0.825 0.000 0.289 284 S C 0.213 174.986 174.600 0.287 0.000 1.163 284 S CA -0.890 57.492 58.200 0.303 0.000 1.078 284 S CB 0.465 63.919 63.200 0.424 0.000 0.987 284 S HN 0.505 nan 8.310 nan 0.000 0.482 285 I N 3.262 123.951 120.570 0.199 0.000 2.325 285 I HA 0.234 3.908 4.170 -0.825 0.000 0.291 285 I C 0.705 176.776 176.117 -0.076 0.000 1.019 285 I CA -0.273 61.104 61.300 0.129 0.000 1.302 285 I CB 0.630 38.792 38.000 0.271 0.000 1.401 285 I HN 0.722 nan 8.210 nan 0.000 0.485 286 Q N 6.317 125.974 119.800 -0.239 0.000 2.394 286 Q HA 0.374 4.218 4.340 -0.825 0.000 0.248 286 Q C -1.011 174.831 176.000 -0.262 0.000 0.992 286 Q CA -0.059 55.407 55.803 -0.562 0.000 0.888 286 Q CB 1.066 29.368 28.738 -0.728 0.000 1.257 286 Q HN 0.591 nan 8.270 nan 0.000 0.462 287 I N 4.144 124.592 120.570 -0.203 0.000 2.537 287 I HA 0.165 3.839 4.170 -0.825 0.000 0.276 287 I C -0.177 175.934 176.117 -0.010 0.000 1.063 287 I CA -0.751 60.531 61.300 -0.030 0.000 1.144 287 I CB 1.264 39.318 38.000 0.090 0.000 1.252 287 I HN 0.706 nan 8.210 nan 0.000 0.480 288 T N 2.274 116.762 114.554 -0.111 0.000 2.906 288 T HA 0.388 4.243 4.350 -0.825 0.000 0.320 288 T C 0.604 175.087 174.700 -0.362 0.000 1.088 288 T CA -0.690 61.290 62.100 -0.200 0.000 1.120 288 T CB 1.159 69.912 68.868 -0.193 0.000 1.000 288 T HN 0.547 nan 8.240 nan 0.000 0.550 289 A N 3.440 125.825 122.820 -0.726 0.000 2.313 289 A HA 0.617 4.441 4.320 -0.825 0.000 0.261 289 A C -1.704 175.396 177.584 -0.805 0.000 1.090 289 A CA -1.665 49.526 52.037 -1.410 0.000 0.807 289 A CB -0.514 17.179 19.000 -2.178 0.000 1.055 289 A HN 0.751 nan 8.150 nan 0.000 0.492 290 P HA 0.137 nan 4.420 nan 0.000 0.274 290 P C 0.700 177.804 177.300 -0.326 0.000 1.264 290 P CA 0.560 63.426 63.100 -0.390 0.000 0.795 290 P CB 0.514 32.055 31.700 -0.265 0.000 1.064 291 A N 0.502 123.203 122.820 -0.199 0.000 1.968 291 A HA -0.112 3.713 4.320 -0.825 0.000 0.217 291 A C 2.115 179.617 177.584 -0.137 0.000 1.169 291 A CA 1.905 53.849 52.037 -0.154 0.000 0.638 291 A CB -1.470 17.468 19.000 -0.103 0.000 0.812 291 A HN 0.625 nan 8.150 nan 0.000 0.446 292 S N -2.187 113.446 115.700 -0.112 0.000 2.528 292 S HA 0.081 4.056 4.470 -0.825 0.000 0.219 292 S C 1.578 176.114 174.600 -0.108 0.000 0.985 292 S CA 1.088 59.233 58.200 -0.091 0.000 0.914 292 S CB -0.096 63.094 63.200 -0.017 0.000 0.776 292 S HN 0.270 nan 8.310 nan 0.000 0.526 293 M N 1.243 120.738 119.600 -0.175 0.000 2.466 293 M HA 0.480 4.464 4.480 -0.825 0.000 0.265 293 M C 1.461 177.536 176.300 -0.377 0.000 1.122 293 M CA 0.899 56.052 55.300 -0.245 0.000 1.157 293 M CB -0.534 31.832 32.600 -0.389 0.000 1.352 293 M HN 0.277 nan 8.290 nan 0.000 0.464 294 L N -0.160 120.846 121.223 -0.362 0.000 2.554 294 L HA 0.032 3.876 4.340 -0.825 0.000 0.226 294 L C 1.776 178.602 176.870 -0.074 0.000 1.137 294 L CA 0.186 54.869 54.840 -0.262 0.000 0.863 294 L CB -0.670 41.242 42.059 -0.245 0.000 0.985 294 L HN 0.297 nan 8.230 nan 0.000 0.451 295 I N -2.013 118.512 120.570 -0.075 0.000 2.614 295 I HA 0.099 3.773 4.170 -0.825 0.000 0.258 295 I C 1.097 177.211 176.117 -0.005 0.000 1.189 295 I CA 0.482 61.757 61.300 -0.042 0.000 1.462 295 I CB -0.564 37.398 38.000 -0.063 0.000 1.092 295 I HN 0.101 nan 8.210 nan 0.000 0.442 296 G N 0.087 108.909 108.800 0.037 0.000 2.645 296 G HA2 0.252 3.717 3.960 -0.825 0.000 0.292 296 G HA3 0.252 3.717 3.960 -0.825 0.000 0.292 296 G C -1.591 173.372 174.900 0.105 0.000 1.415 296 G CA -0.689 44.438 45.100 0.044 0.000 0.785 296 G HN 0.024 nan 8.290 nan 0.000 0.483 297 D N 1.242 121.634 120.400 -0.013 0.000 2.571 297 D HA 0.174 4.318 4.640 -0.825 0.000 0.231 297 D C 0.276 176.463 176.300 -0.188 0.000 1.133 297 D CA 1.100 55.007 54.000 -0.156 0.000 0.862 297 D CB 0.352 41.056 40.800 -0.160 0.000 1.179 297 D HN 0.586 nan 8.370 nan 0.000 0.474 298 H N -0.783 118.156 119.070 -0.217 0.000 2.984 298 H HA 0.497 4.558 4.556 -0.825 0.000 0.277 298 H C -1.241 173.929 175.328 -0.264 0.000 1.502 298 H CA -0.807 55.097 56.048 -0.239 0.000 1.195 298 H CB 0.741 30.523 29.762 0.033 0.000 1.866 298 H HN 0.336 nan 8.280 nan 0.000 0.594 299 Y N -0.586 119.988 120.300 0.457 0.000 2.625 299 Y HA 0.415 4.470 4.550 -0.826 0.000 0.338 299 Y C -0.854 175.316 175.900 0.450 0.000 1.123 299 Y CA -1.119 57.247 58.100 0.444 0.000 1.046 299 Y CB 1.784 40.327 38.460 0.138 0.000 1.299 299 Y HN 0.465 nan 8.280 nan 0.000 0.464 300 L N 2.479 124.061 121.223 0.599 0.000 2.283 300 L HA 0.411 4.256 4.340 -0.825 0.000 0.281 300 L C 0.483 177.439 176.870 0.144 0.000 1.033 300 L CA -0.456 54.412 54.840 0.047 0.000 0.848 300 L CB 0.305 42.349 42.059 -0.026 0.000 1.226 300 L HN 0.979 nan 8.230 nan 0.000 0.429 301 C N 1.205 120.479 119.300 -0.044 0.000 2.594 301 C HA 0.420 4.385 4.460 -0.825 0.000 0.265 301 C C 0.396 175.365 174.990 -0.035 0.000 1.351 301 C CA -0.206 58.752 59.018 -0.100 0.000 1.744 301 C CB -0.764 26.939 27.740 -0.062 0.000 1.890 301 C HN 0.853 nan 8.230 nan 0.000 0.551 302 D N -0.335 120.022 120.400 -0.071 0.000 2.746 302 D HA 0.287 4.432 4.640 -0.825 0.000 0.211 302 D C -1.790 174.273 176.300 -0.395 0.000 1.242 302 D CA 0.004 53.959 54.000 -0.074 0.000 0.790 302 D CB 2.138 42.878 40.800 -0.100 0.000 1.744 302 D HN 0.021 nan 8.370 nan 0.000 0.520 303 V N 2.607 122.187 119.914 -0.558 0.000 2.555 303 V HA 0.744 4.368 4.120 -0.825 0.000 0.302 303 V C -0.130 175.572 176.094 -0.653 0.000 1.038 303 V CA -0.172 61.562 62.300 -0.942 0.000 0.887 303 V CB 2.024 32.704 31.823 -1.905 0.000 0.991 303 V HN 0.689 nan 8.190 nan 0.000 0.434 304 T N 3.427 117.690 114.554 -0.484 0.000 3.172 304 T HA 0.331 4.186 4.350 -0.825 0.000 0.320 304 T C -1.263 173.360 174.700 -0.128 0.000 1.085 304 T CA -0.489 61.501 62.100 -0.184 0.000 1.052 304 T CB 0.928 69.747 68.868 -0.082 0.000 1.107 304 T HN 0.535 nan 8.240 nan 0.000 0.458 305 W N 2.188 123.491 121.300 0.005 0.000 2.272 305 W HA 0.551 4.715 4.660 -0.826 0.000 0.318 305 W C 1.049 177.536 176.519 -0.054 0.000 1.255 305 W CA -0.323 57.025 57.345 0.006 0.000 1.200 305 W CB 0.820 30.341 29.460 0.102 0.000 1.170 305 W HN 0.872 nan 8.180 nan 0.000 0.549 306 A N 1.844 124.622 122.820 -0.069 0.000 1.919 306 A HA 0.209 4.033 4.320 -0.825 0.000 0.211 306 A C 0.827 178.362 177.584 -0.083 0.000 1.310 306 A CA 1.475 53.135 52.037 -0.629 0.000 0.651 306 A CB -0.567 17.592 19.000 -1.402 0.000 0.996 306 A HN 0.504 nan 8.150 nan 0.000 0.479 307 T N -4.826 109.779 114.554 0.085 0.000 2.864 307 T HA 0.387 4.241 4.350 -0.825 0.000 0.289 307 T C 0.119 174.994 174.700 0.292 0.000 1.082 307 T CA -0.537 61.666 62.100 0.171 0.000 1.009 307 T CB 1.161 70.105 68.868 0.127 0.000 1.234 307 T HN 0.089 nan 8.240 nan 0.000 0.526 308 Q N 0.086 120.008 119.800 0.203 0.000 2.449 308 Q HA -0.064 3.780 4.340 -0.825 0.000 0.214 308 Q C 0.888 177.115 176.000 0.379 0.000 0.986 308 Q CA 1.455 57.370 55.803 0.187 0.000 0.893 308 Q CB -0.037 28.766 28.738 0.109 0.000 0.940 308 Q HN 0.813 nan 8.270 nan 0.000 0.477 309 E N -0.635 119.823 120.200 0.430 0.000 2.676 309 E HA 0.147 4.002 4.350 -0.825 0.000 0.225 309 E C -0.074 176.826 176.600 0.500 0.000 0.944 309 E CA -0.166 56.526 56.400 0.487 0.000 1.156 309 E CB 1.062 30.957 29.700 0.327 0.000 1.117 309 E HN -0.014 nan 8.360 nan 0.000 0.523 310 R N 1.310 122.107 120.500 0.495 0.000 2.670 310 R HA 0.606 4.451 4.340 -0.825 0.000 0.289 310 R C -1.486 174.907 176.300 0.155 0.000 0.965 310 R CA -0.423 55.861 56.100 0.306 0.000 0.899 310 R CB 1.456 31.808 30.300 0.088 0.000 1.173 310 R HN -0.005 nan 8.270 nan 0.000 0.456 311 I N 1.946 122.449 120.570 -0.113 0.000 2.828 311 I HA 0.423 4.098 4.170 -0.825 0.000 0.302 311 I C -1.155 174.764 176.117 -0.331 0.000 1.101 311 I CA -0.563 60.435 61.300 -0.505 0.000 1.031 311 I CB 2.452 39.788 38.000 -1.106 0.000 1.231 311 I HN 0.848 nan 8.210 nan 0.000 0.427 312 S N 6.520 122.018 115.700 -0.337 0.000 2.521 312 S HA 0.795 4.769 4.470 -0.825 0.000 0.295 312 S C -1.272 173.102 174.600 -0.377 0.000 1.098 312 S CA -0.706 57.362 58.200 -0.219 0.000 0.999 312 S CB 1.824 65.009 63.200 -0.024 0.000 1.034 312 S HN 0.371 nan 8.310 nan 0.000 0.483 313 L N 2.297 123.308 121.223 -0.354 0.000 2.365 313 L HA 0.542 4.386 4.340 -0.825 0.000 0.273 313 L C -0.244 176.377 176.870 -0.415 0.000 1.000 313 L CA -0.246 54.262 54.840 -0.553 0.000 0.819 313 L CB 2.045 43.722 42.059 -0.635 0.000 1.284 313 L HN 0.780 nan 8.230 nan 0.000 0.418 314 Q N 2.021 121.508 119.800 -0.522 0.000 2.322 314 Q HA 0.465 4.310 4.340 -0.825 0.000 0.265 314 Q C -1.659 174.084 176.000 -0.428 0.000 0.985 314 Q CA -0.506 55.109 55.803 -0.314 0.000 0.849 314 Q CB 1.933 30.529 28.738 -0.236 0.000 1.274 314 Q HN 0.459 nan 8.270 nan 0.000 0.449 315 W N 2.566 123.832 121.300 -0.057 0.000 2.606 315 W HA 0.560 4.725 4.660 -0.826 0.000 0.332 315 W C -0.797 175.764 176.519 0.071 0.000 1.052 315 W CA -0.636 56.718 57.345 0.015 0.000 1.223 315 W CB 1.010 30.457 29.460 -0.021 0.000 1.383 315 W HN 0.394 nan 8.180 nan 0.000 0.524 316 L N 3.147 124.575 121.223 0.342 0.000 2.365 316 L HA 0.592 4.436 4.340 -0.825 0.000 0.273 316 L C -0.055 177.008 176.870 0.321 0.000 1.000 316 L CA -1.207 53.813 54.840 0.299 0.000 0.819 316 L CB 1.301 43.517 42.059 0.260 0.000 1.284 316 L HN 0.400 nan 8.230 nan 0.000 0.418 317 R N 2.222 122.879 120.500 0.261 0.000 2.582 317 R HA 0.257 4.102 4.340 -0.825 0.000 0.271 317 R C 1.037 177.383 176.300 0.075 0.000 1.078 317 R CA -0.200 55.997 56.100 0.162 0.000 1.127 317 R CB 0.817 31.212 30.300 0.159 0.000 1.038 317 R HN 0.671 nan 8.270 nan 0.000 0.500 318 R N 1.732 122.178 120.500 -0.090 0.000 2.139 318 R HA -0.087 3.758 4.340 -0.825 0.000 0.243 318 R C 0.386 176.721 176.300 0.057 0.000 1.145 318 R CA 1.207 57.223 56.100 -0.140 0.000 0.976 318 R CB 0.161 30.350 30.300 -0.184 0.000 0.866 318 R HN 0.381 nan 8.270 nan 0.000 0.449 319 I N 2.803 123.406 120.570 0.055 0.000 2.224 319 I HA 0.020 3.694 4.170 -0.825 0.000 0.293 319 I C 0.209 176.393 176.117 0.113 0.000 1.155 319 I CA 0.232 61.575 61.300 0.071 0.000 1.297 319 I CB 0.543 38.571 38.000 0.047 0.000 1.487 319 I HN 0.261 nan 8.210 nan 0.000 0.564 320 Q N 3.245 123.117 119.800 0.121 0.000 2.442 320 Q HA -0.164 3.681 4.340 -0.825 0.000 0.185 320 Q C 0.681 176.776 176.000 0.158 0.000 0.869 320 Q CA 0.357 56.245 55.803 0.141 0.000 1.064 320 Q CB -0.427 28.358 28.738 0.078 0.000 1.087 320 Q HN 0.638 nan 8.270 nan 0.000 0.532 321 N N -1.168 117.628 118.700 0.161 0.000 2.204 321 N HA -0.021 4.223 4.740 -0.825 0.000 0.219 321 N C -1.011 174.621 175.510 0.204 0.000 1.151 321 N CA -0.144 52.995 53.050 0.148 0.000 0.867 321 N CB 0.355 38.908 38.487 0.109 0.000 1.043 321 N HN 0.179 nan 8.380 nan 0.000 0.516 322 Y N 1.054 121.395 120.300 0.067 0.000 2.396 322 Y HA 0.561 4.616 4.550 -0.826 0.000 0.332 322 Y C -1.278 174.672 175.900 0.084 0.000 1.034 322 Y CA -0.968 57.171 58.100 0.065 0.000 1.057 322 Y CB 1.673 40.163 38.460 0.050 0.000 1.220 322 Y HN 0.159 nan 8.280 nan 0.000 0.440 323 S N 4.085 119.720 115.700 -0.108 0.000 2.536 323 S HA 0.858 4.833 4.470 -0.825 0.000 0.271 323 S C -2.132 172.426 174.600 -0.070 0.000 1.134 323 S CA -0.791 57.420 58.200 0.019 0.000 0.897 323 S CB 1.695 64.914 63.200 0.031 0.000 1.094 323 S HN 0.449 nan 8.310 nan 0.000 0.473 324 V N 3.853 123.816 119.914 0.082 0.000 2.483 324 V HA 0.500 4.125 4.120 -0.825 0.000 0.297 324 V C -0.297 175.883 176.094 0.143 0.000 1.027 324 V CA -0.617 61.734 62.300 0.084 0.000 0.855 324 V CB 1.717 33.611 31.823 0.118 0.000 0.995 324 V HN 1.036 nan 8.190 nan 0.000 0.424 325 M N 4.494 124.139 119.600 0.076 0.000 2.108 325 M HA 0.469 4.454 4.480 -0.825 0.000 0.354 325 M C -1.031 175.331 176.300 0.104 0.000 1.229 325 M CA -0.069 55.248 55.300 0.028 0.000 1.081 325 M CB 0.737 33.271 32.600 -0.109 0.000 1.606 325 M HN 0.552 nan 8.290 nan 0.000 0.467 326 D N 5.538 125.992 120.400 0.090 0.000 2.217 326 D HA 0.527 4.671 4.640 -0.825 0.000 0.248 326 D C -0.773 175.556 176.300 0.048 0.000 1.008 326 D CA -0.078 53.981 54.000 0.099 0.000 0.914 326 D CB 1.918 42.789 40.800 0.118 0.000 1.182 326 D HN 0.639 nan 8.370 nan 0.000 0.451 327 I N 1.924 122.547 120.570 0.090 0.000 2.466 327 I HA 0.221 3.896 4.170 -0.825 0.000 0.279 327 I C -0.529 175.635 176.117 0.079 0.000 1.033 327 I CA -0.622 60.724 61.300 0.077 0.000 1.123 327 I CB 1.240 39.343 38.000 0.172 0.000 1.237 327 I HN 0.089 nan 8.210 nan 0.000 0.460 328 c N 4.047 122.681 118.600 0.056 0.000 2.330 328 c HA 0.447 4.522 4.570 -0.825 0.000 0.344 328 c C 0.368 174.613 174.090 0.258 0.000 1.273 328 c CA -0.394 56.027 56.329 0.153 0.000 1.879 328 c CB 0.446 43.057 42.510 0.168 0.000 2.376 328 c HN 0.600 nan 8.230 nan 0.000 0.534 329 D N -0.144 120.392 120.400 0.227 0.000 2.326 329 D HA 0.356 4.500 4.640 -0.825 0.000 0.251 329 D C -0.822 175.508 176.300 0.051 0.000 1.023 329 D CA -0.165 53.934 54.000 0.166 0.000 0.966 329 D CB 0.659 41.503 40.800 0.074 0.000 1.156 329 D HN 0.581 nan 8.370 nan 0.000 0.494 330 Y N 0.925 120.986 120.300 -0.398 0.000 2.353 330 Y HA 0.280 4.334 4.550 -0.825 0.000 0.340 330 Y C -0.709 174.929 175.900 -0.438 0.000 0.972 330 Y CA -1.221 56.340 58.100 -0.898 0.000 1.157 330 Y CB 0.974 38.700 38.460 -1.224 0.000 1.157 330 Y HN 0.191 nan 8.280 nan 0.000 0.495 331 D N 4.887 124.810 120.400 -0.795 0.000 2.494 331 D HA 0.073 4.218 4.640 -0.825 0.000 0.217 331 D C 1.157 176.922 176.300 -0.892 0.000 1.153 331 D CA 0.179 53.803 54.000 -0.626 0.000 0.954 331 D CB 0.463 41.064 40.800 -0.332 0.000 1.034 331 D HN 0.823 nan 8.370 nan 0.000 0.518 332 E N 1.885 121.549 120.200 -0.895 0.000 2.172 332 E HA -0.365 3.490 4.350 -0.825 0.000 0.213 332 E C 1.517 177.905 176.600 -0.352 0.000 1.051 332 E CA 2.272 58.303 56.400 -0.614 0.000 0.860 332 E CB 0.114 29.677 29.700 -0.229 0.000 0.755 332 E HN 0.584 nan 8.360 nan 0.000 0.462 333 S N -0.074 115.469 115.700 -0.263 0.000 2.406 333 S HA -0.230 3.744 4.470 -0.825 0.000 0.211 333 S C 2.183 176.699 174.600 -0.140 0.000 1.045 333 S CA 1.820 59.929 58.200 -0.150 0.000 1.058 333 S CB -1.110 62.022 63.200 -0.114 0.000 1.044 333 S HN 0.424 nan 8.310 nan 0.000 0.413 334 S N 1.245 116.856 115.700 -0.148 0.000 2.484 334 S HA 0.073 4.048 4.470 -0.825 0.000 0.250 334 S C 1.932 176.494 174.600 -0.064 0.000 0.995 334 S CA 1.641 59.784 58.200 -0.096 0.000 0.967 334 S CB -1.664 61.483 63.200 -0.089 0.000 0.752 334 S HN 1.912 nan 8.310 nan 0.000 0.517 335 G N 1.196 109.926 108.800 -0.116 0.000 2.353 335 G HA2 -0.317 3.148 3.960 -0.825 0.000 0.258 335 G HA3 -0.317 3.148 3.960 -0.825 0.000 0.258 335 G C 0.404 175.391 174.900 0.144 0.000 1.013 335 G CA 0.517 45.657 45.100 0.066 0.000 0.622 335 G HN 0.631 nan 8.290 nan 0.000 0.535 336 R N -0.659 119.858 120.500 0.028 0.000 2.580 336 R HA 0.544 4.388 4.340 -0.825 0.000 0.267 336 R C -0.436 175.879 176.300 0.025 0.000 1.125 336 R CA -0.688 55.480 56.100 0.112 0.000 1.188 336 R CB 0.054 30.396 30.300 0.070 0.000 1.155 336 R HN 0.274 nan 8.270 nan 0.000 0.586 337 W N 0.197 121.533 121.300 0.061 0.000 2.529 337 W HA 0.354 4.519 4.660 -0.824 0.000 0.321 337 W C -0.364 176.158 176.519 0.004 0.000 1.047 337 W CA -0.396 56.979 57.345 0.051 0.000 1.216 337 W CB 1.104 30.570 29.460 0.010 0.000 1.357 337 W HN 0.393 nan 8.180 nan 0.000 0.489 338 N N 1.704 120.510 118.700 0.177 0.000 2.314 338 N HA 0.625 4.870 4.740 -0.825 0.000 0.304 338 N C -1.606 173.969 175.510 0.109 0.000 1.073 338 N CA -0.550 52.560 53.050 0.100 0.000 0.822 338 N CB 1.373 39.877 38.487 0.028 0.000 1.280 338 N HN 0.209 nan 8.380 nan 0.000 0.489 339 c N 2.062 120.707 118.600 0.075 0.000 2.437 339 c HA 0.381 4.456 4.570 -0.825 0.000 0.307 339 c C 0.046 174.161 174.090 0.043 0.000 1.093 339 c CA -1.164 55.207 56.329 0.069 0.000 1.463 339 c CB -1.072 41.475 42.510 0.062 0.000 1.926 339 c HN 0.591 nan 8.230 nan 0.000 0.420 340 L N 2.526 123.775 121.223 0.044 0.000 2.638 340 L HA 0.018 3.863 4.340 -0.825 0.000 0.273 340 L C 1.749 178.633 176.870 0.023 0.000 1.147 340 L CA 0.230 55.087 54.840 0.028 0.000 0.941 340 L CB 0.243 42.320 42.059 0.031 0.000 1.251 340 L HN 0.678 nan 8.230 nan 0.000 0.479 341 V N 4.342 124.259 119.914 0.005 0.000 2.511 341 V HA -0.361 3.264 4.120 -0.825 0.000 0.257 341 V C 2.251 178.333 176.094 -0.021 0.000 1.088 341 V CA 2.317 64.612 62.300 -0.007 0.000 1.098 341 V CB -0.117 31.695 31.823 -0.018 0.000 0.674 341 V HN 0.973 nan 8.190 nan 0.000 0.470 342 A N -0.819 121.991 122.820 -0.016 0.000 2.255 342 A HA 0.053 3.877 4.320 -0.825 0.000 0.206 342 A C 1.922 179.487 177.584 -0.032 0.000 1.193 342 A CA 0.755 52.773 52.037 -0.032 0.000 0.794 342 A CB -0.394 18.596 19.000 -0.018 0.000 0.794 342 A HN 0.638 nan 8.150 nan 0.000 0.481 343 R N -1.118 119.382 120.500 -0.000 0.000 2.590 343 R HA 0.177 4.021 4.340 -0.825 0.000 0.410 343 R C 0.104 176.472 176.300 0.113 0.000 1.010 343 R CA -0.141 56.009 56.100 0.083 0.000 1.155 343 R CB 0.411 30.801 30.300 0.151 0.000 1.455 343 R HN 0.543 nan 8.270 nan 0.000 0.567 344 Q N 0.530 120.313 119.800 -0.028 0.000 2.259 344 Q HA 0.188 4.033 4.340 -0.825 0.000 0.249 344 Q C -1.078 174.844 176.000 -0.130 0.000 0.914 344 Q CA -0.134 55.687 55.803 0.029 0.000 0.904 344 Q CB 0.843 29.582 28.738 0.002 0.000 1.213 344 Q HN 0.200 nan 8.270 nan 0.000 0.428 345 H N 1.629 120.752 119.070 0.088 0.000 2.768 345 H HA 0.508 4.568 4.556 -0.826 0.000 0.371 345 H C -0.924 174.425 175.328 0.036 0.000 1.151 345 H CA -0.506 55.606 56.048 0.106 0.000 1.165 345 H CB 1.349 31.238 29.762 0.211 0.000 1.722 345 H HN 0.485 nan 8.280 nan 0.000 0.543 346 I N 1.229 121.871 120.570 0.120 0.000 2.493 346 I HA 0.318 3.993 4.170 -0.825 0.000 0.298 346 I C -0.376 175.715 176.117 -0.043 0.000 0.998 346 I CA -0.505 60.768 61.300 -0.046 0.000 1.137 346 I CB 1.971 39.896 38.000 -0.126 0.000 1.310 346 I HN 0.555 nan 8.210 nan 0.000 0.445 347 E N 7.556 127.668 120.200 -0.146 0.000 2.244 347 E HA 0.585 4.439 4.350 -0.825 0.000 0.260 347 E C -1.209 175.293 176.600 -0.164 0.000 0.884 347 E CA -0.642 55.706 56.400 -0.087 0.000 0.777 347 E CB 1.440 31.115 29.700 -0.042 0.000 1.197 347 E HN 0.626 nan 8.360 nan 0.000 0.416 348 M N 1.502 121.038 119.600 -0.107 0.000 2.704 348 M HA 0.701 4.686 4.480 -0.825 0.000 0.284 348 M C -1.256 175.046 176.300 0.004 0.000 1.275 348 M CA -0.853 54.407 55.300 -0.066 0.000 0.811 348 M CB 2.349 34.917 32.600 -0.053 0.000 1.741 348 M HN 0.253 nan 8.290 nan 0.000 0.458 349 S N -0.689 115.032 115.700 0.035 0.000 2.546 349 S HA 0.553 4.528 4.470 -0.825 0.000 0.272 349 S C -0.026 174.593 174.600 0.032 0.000 1.140 349 S CA 0.065 58.279 58.200 0.024 0.000 0.920 349 S CB 1.819 65.022 63.200 0.005 0.000 1.083 349 S HN 0.963 nan 8.310 nan 0.000 0.476 350 T N -0.346 114.222 114.554 0.024 0.000 3.023 350 T HA 0.116 3.971 4.350 -0.825 0.000 0.253 350 T C 1.290 175.995 174.700 0.009 0.000 1.038 350 T CA 0.785 62.898 62.100 0.022 0.000 0.962 350 T CB -0.251 68.630 68.868 0.022 0.000 1.018 350 T HN 0.659 nan 8.240 nan 0.000 0.521 351 T N -2.112 112.453 114.554 0.018 0.000 3.001 351 T HA 0.634 4.489 4.350 -0.825 0.000 0.251 351 T C 1.079 175.707 174.700 -0.120 0.000 1.040 351 T CA 0.283 62.412 62.100 0.049 0.000 0.985 351 T CB 0.565 69.517 68.868 0.141 0.000 1.011 351 T HN 0.692 nan 8.240 nan 0.000 0.509 352 G N 0.555 109.172 108.800 -0.304 0.000 2.435 352 G HA2 0.421 3.885 3.960 -0.825 0.000 0.228 352 G HA3 0.421 3.885 3.960 -0.825 0.000 0.228 352 G C -1.572 173.136 174.900 -0.319 0.000 1.198 352 G CA -0.561 44.127 45.100 -0.687 0.000 0.948 352 G HN 0.461 nan 8.290 nan 0.000 0.487 353 W N 0.057 121.159 121.300 -0.330 0.000 1.966 353 W HA 0.663 4.830 4.660 -0.822 0.000 0.367 353 W C -0.093 176.401 176.519 -0.042 0.000 1.451 353 W CA -1.059 56.191 57.345 -0.158 0.000 1.538 353 W CB 0.249 29.571 29.460 -0.231 0.000 1.251 353 W HN 0.271 nan 8.180 nan 0.000 0.671 354 V N 3.275 123.311 119.914 0.203 0.000 2.383 354 V HA 0.640 4.265 4.120 -0.825 0.000 0.275 354 V C 0.879 177.066 176.094 0.154 0.000 1.036 354 V CA 0.414 62.775 62.300 0.103 0.000 0.889 354 V CB -0.149 31.724 31.823 0.083 0.000 0.985 354 V HN 1.301 nan 8.190 nan 0.000 0.459 355 G N 5.614 114.452 108.800 0.064 0.000 2.681 355 G HA2 -0.194 3.270 3.960 -0.825 0.000 0.220 355 G HA3 -0.194 3.270 3.960 -0.825 0.000 0.220 355 G C 0.407 175.390 174.900 0.138 0.000 1.353 355 G CA 0.307 45.461 45.100 0.090 0.000 0.872 355 G HN 0.583 nan 8.290 nan 0.000 0.557 356 R N -1.491 119.100 120.500 0.151 0.000 2.052 356 R HA 0.302 4.146 4.340 -0.825 0.000 0.224 356 R C 2.054 178.355 176.300 0.002 0.000 1.149 356 R CA 1.868 58.029 56.100 0.101 0.000 0.962 356 R CB -0.053 30.321 30.300 0.125 0.000 0.856 356 R HN 0.425 nan 8.270 nan 0.000 0.433 357 F N -0.635 119.443 119.950 0.214 0.000 2.834 357 F HA 0.255 4.286 4.527 -0.826 0.000 0.332 357 F C -0.071 175.740 175.800 0.020 0.000 1.056 357 F CA -0.422 57.637 58.000 0.099 0.000 1.178 357 F CB 0.858 39.922 39.000 0.107 0.000 1.037 357 F HN -0.110 nan 8.300 nan 0.000 0.580 358 R N -1.293 119.335 120.500 0.214 0.000 2.728 358 R HA 0.379 4.223 4.340 -0.825 0.000 0.259 358 R C -3.360 172.999 176.300 0.099 0.000 1.057 358 R CA -1.823 54.339 56.100 0.104 0.000 0.908 358 R CB 0.012 30.337 30.300 0.040 0.000 1.259 358 R HN -0.343 nan 8.270 nan 0.000 0.472 359 P HA -0.035 nan 4.420 nan 0.000 0.260 359 P C -0.186 177.124 177.300 0.017 0.000 1.185 359 P CA 0.258 63.375 63.100 0.029 0.000 0.763 359 P CB 0.689 32.386 31.700 -0.005 0.000 0.776 360 S N 2.742 118.463 115.700 0.035 0.000 2.566 360 S HA 0.031 4.006 4.470 -0.825 0.000 0.280 360 S C 0.409 174.999 174.600 -0.016 0.000 1.343 360 S CA -0.669 57.560 58.200 0.048 0.000 1.036 360 S CB 0.407 63.658 63.200 0.085 0.000 0.866 360 S HN 0.548 nan 8.310 nan 0.000 0.526 361 E N 2.098 122.302 120.200 0.006 0.000 2.349 361 E HA 0.391 4.245 4.350 -0.825 0.000 0.262 361 E C -2.660 173.866 176.600 -0.124 0.000 1.088 361 E CA -1.917 54.432 56.400 -0.086 0.000 0.899 361 E CB 0.214 29.877 29.700 -0.062 0.000 1.044 361 E HN 0.488 nan 8.360 nan 0.000 0.420 362 P HA 0.299 nan 4.420 nan 0.000 0.281 362 P C -0.781 176.302 177.300 -0.362 0.000 1.281 362 P CA -0.490 62.367 63.100 -0.404 0.000 0.811 362 P CB 1.042 32.136 31.700 -1.011 0.000 1.154 363 H N 0.027 119.003 119.070 -0.157 0.000 3.092 363 H HA 0.289 4.350 4.556 -0.826 0.000 0.308 363 H C -0.440 174.954 175.328 0.111 0.000 1.047 363 H CA -0.238 55.844 56.048 0.057 0.000 1.466 363 H CB 0.177 30.032 29.762 0.155 0.000 1.597 363 H HN 0.268 nan 8.280 nan 0.000 0.512 364 F N 1.640 121.775 119.950 0.308 0.000 2.406 364 F HA 0.094 4.126 4.527 -0.826 0.000 0.327 364 F C 1.739 177.739 175.800 0.333 0.000 1.153 364 F CA -0.267 57.936 58.000 0.339 0.000 1.218 364 F CB 0.816 39.962 39.000 0.244 0.000 1.215 364 F HN 0.330 nan 8.300 nan 0.000 0.570 365 T N -0.184 114.701 114.554 0.551 0.000 2.732 365 T HA 0.130 3.984 4.350 -0.825 0.000 0.287 365 T C 1.001 175.899 174.700 0.329 0.000 0.993 365 T CA -0.749 61.596 62.100 0.409 0.000 0.966 365 T CB 0.591 69.688 68.868 0.381 0.000 1.047 365 T HN 0.524 nan 8.240 nan 0.000 0.527 366 L N 1.266 122.633 121.223 0.241 0.000 2.017 366 L HA -0.032 3.813 4.340 -0.825 0.000 0.208 366 L C 2.189 179.165 176.870 0.176 0.000 1.073 366 L CA 2.518 57.471 54.840 0.188 0.000 0.745 366 L CB -1.203 40.941 42.059 0.142 0.000 0.894 366 L HN 0.940 nan 8.230 nan 0.000 0.432 367 D N -1.289 119.214 120.400 0.172 0.000 2.264 367 D HA 0.037 4.182 4.640 -0.825 0.000 0.208 367 D C 1.545 177.940 176.300 0.159 0.000 0.966 367 D CA 0.917 55.006 54.000 0.147 0.000 0.864 367 D CB -0.408 40.473 40.800 0.134 0.000 0.933 367 D HN 0.443 nan 8.370 nan 0.000 0.499 368 G N 0.068 109.001 108.800 0.222 0.000 2.149 368 G HA2 -0.276 3.189 3.960 -0.825 0.000 0.235 368 G HA3 -0.276 3.189 3.960 -0.825 0.000 0.235 368 G C 0.483 175.548 174.900 0.275 0.000 1.018 368 G CA 0.223 45.464 45.100 0.234 0.000 0.728 368 G HN 0.359 nan 8.290 nan 0.000 0.508 369 N N 0.210 119.064 118.700 0.257 0.000 2.230 369 N HA 0.271 4.516 4.740 -0.825 0.000 0.202 369 N C 0.428 176.025 175.510 0.146 0.000 1.119 369 N CA 0.911 54.077 53.050 0.193 0.000 0.851 369 N CB 0.810 39.374 38.487 0.127 0.000 0.990 369 N HN 1.097 nan 8.380 nan 0.000 0.497 370 S N -0.202 115.629 115.700 0.219 0.000 2.578 370 S HA 0.588 4.563 4.470 -0.825 0.000 0.285 370 S C -1.064 173.580 174.600 0.073 0.000 1.126 370 S CA -1.082 57.064 58.200 -0.089 0.000 0.878 370 S CB 0.571 63.627 63.200 -0.241 0.000 1.091 370 S HN 0.119 nan 8.310 nan 0.000 0.450 371 F N -0.732 119.078 119.950 -0.234 0.000 2.620 371 F HA 0.909 4.941 4.527 -0.825 0.000 0.320 371 F C -1.730 173.952 175.800 -0.197 0.000 1.069 371 F CA -1.555 56.281 58.000 -0.274 0.000 0.953 371 F CB 0.639 39.078 39.000 -0.934 0.000 1.322 371 F HN 0.576 nan 8.300 nan 0.000 0.479 372 Y N 1.088 121.543 120.300 0.259 0.000 2.352 372 Y HA 0.617 4.672 4.550 -0.826 0.000 0.339 372 Y C -0.255 175.775 175.900 0.216 0.000 0.992 372 Y CA -0.981 57.269 58.100 0.250 0.000 1.100 372 Y CB 2.011 40.593 38.460 0.204 0.000 1.192 372 Y HN 0.716 nan 8.280 nan 0.000 0.458 373 K N 3.735 124.302 120.400 0.278 0.000 2.535 373 K HA 0.510 4.335 4.320 -0.825 0.000 0.251 373 K C -1.589 175.101 176.600 0.149 0.000 0.942 373 K CA -0.537 55.831 56.287 0.135 0.000 0.798 373 K CB 1.439 33.868 32.500 -0.119 0.000 1.267 373 K HN 0.739 nan 8.250 nan 0.000 0.434 374 I N 6.557 127.214 120.570 0.146 0.000 2.517 374 I HA 0.171 3.846 4.170 -0.825 0.000 0.285 374 I C 0.205 176.404 176.117 0.137 0.000 1.106 374 I CA -0.062 61.331 61.300 0.154 0.000 1.402 374 I CB 0.085 38.168 38.000 0.139 0.000 1.399 374 I HN 0.537 nan 8.210 nan 0.000 0.535 375 I N 2.682 123.375 120.570 0.203 0.000 3.102 375 I HA 0.502 4.177 4.170 -0.825 0.000 0.310 375 I C -0.289 175.945 176.117 0.195 0.000 1.246 375 I CA -0.788 60.624 61.300 0.188 0.000 0.979 375 I CB 2.307 40.446 38.000 0.232 0.000 1.267 375 I HN 0.436 nan 8.210 nan 0.000 0.451 376 S N 2.285 118.034 115.700 0.082 0.000 2.489 376 S HA 0.394 4.369 4.470 -0.825 0.000 0.277 376 S C -0.016 174.604 174.600 0.033 0.000 1.230 376 S CA -0.745 57.440 58.200 -0.024 0.000 1.053 376 S CB 0.268 63.385 63.200 -0.138 0.000 0.955 376 S HN 0.827 nan 8.310 nan 0.000 0.488 377 N N 2.497 121.102 118.700 -0.159 0.000 2.294 377 N HA 0.045 4.290 4.740 -0.825 0.000 0.275 377 N C 0.515 175.968 175.510 -0.095 0.000 1.291 377 N CA -0.412 52.467 53.050 -0.284 0.000 0.933 377 N CB -0.141 37.929 38.487 -0.694 0.000 1.096 377 N HN 0.632 nan 8.380 nan 0.000 0.525 378 E N -0.854 119.295 120.200 -0.085 0.000 2.502 378 E HA -0.029 3.826 4.350 -0.825 0.000 0.194 378 E C -0.005 176.567 176.600 -0.047 0.000 1.062 378 E CA 0.452 56.828 56.400 -0.040 0.000 0.867 378 E CB -0.207 29.482 29.700 -0.018 0.000 0.888 378 E HN 0.699 nan 8.360 nan 0.000 0.510 379 E N -0.224 119.949 120.200 -0.046 0.000 2.501 379 E HA 0.219 4.074 4.350 -0.825 0.000 0.200 379 E C 0.678 177.330 176.600 0.086 0.000 1.016 379 E CA 0.167 56.579 56.400 0.019 0.000 0.921 379 E CB 0.752 30.450 29.700 -0.003 0.000 1.034 379 E HN 0.240 nan 8.360 nan 0.000 0.468 380 G N 1.005 109.784 108.800 -0.037 0.000 2.143 380 G HA2 -0.286 3.179 3.960 -0.825 0.000 0.249 380 G HA3 -0.286 3.179 3.960 -0.825 0.000 0.249 380 G C -0.338 174.373 174.900 -0.315 0.000 0.981 380 G CA 0.032 45.011 45.100 -0.202 0.000 0.665 380 G HN 0.204 nan 8.290 nan 0.000 0.528 381 Y N -0.352 119.764 120.300 -0.307 0.000 2.496 381 Y HA 0.721 4.776 4.550 -0.825 0.000 0.331 381 Y C 1.100 176.722 175.900 -0.463 0.000 1.140 381 Y CA -1.158 56.696 58.100 -0.410 0.000 1.166 381 Y CB 1.086 39.244 38.460 -0.504 0.000 1.249 381 Y HN 0.055 nan 8.280 nan 0.000 0.479 382 R N 2.219 122.502 120.500 -0.360 0.000 2.215 382 R HA 0.332 4.176 4.340 -0.825 0.000 0.337 382 R C -0.827 175.221 176.300 -0.419 0.000 1.010 382 R CA -0.408 55.525 56.100 -0.277 0.000 0.871 382 R CB 0.289 30.499 30.300 -0.150 0.000 1.134 382 R HN 0.645 nan 8.270 nan 0.000 0.477 383 H N 1.682 120.688 119.070 -0.107 0.000 2.858 383 H HA 0.422 4.483 4.556 -0.825 0.000 0.318 383 H C 0.197 175.585 175.328 0.100 0.000 1.419 383 H CA -0.996 54.973 56.048 -0.131 0.000 1.373 383 H CB 1.387 30.940 29.762 -0.349 0.000 1.915 383 H HN 0.294 nan 8.280 nan 0.000 0.704 384 I N 1.115 121.823 120.570 0.230 0.000 2.325 384 I HA 0.098 3.773 4.170 -0.825 0.000 0.291 384 I C 0.209 176.488 176.117 0.270 0.000 1.019 384 I CA -0.077 61.344 61.300 0.200 0.000 1.302 384 I CB 0.566 38.585 38.000 0.033 0.000 1.401 384 I HN 0.099 nan 8.210 nan 0.000 0.485 385 c N 6.810 125.542 118.600 0.218 0.000 2.411 385 c HA 0.432 4.507 4.570 -0.825 0.000 0.330 385 c C -0.292 173.853 174.090 0.091 0.000 1.224 385 c CA -0.444 55.870 56.329 -0.026 0.000 1.770 385 c CB 1.022 43.354 42.510 -0.296 0.000 2.297 385 c HN 0.629 nan 8.230 nan 0.000 0.507 386 Y N 3.732 123.837 120.300 -0.325 0.000 2.313 386 Y HA 0.622 4.676 4.550 -0.826 0.000 0.332 386 Y C -0.881 174.708 175.900 -0.518 0.000 1.071 386 Y CA -0.734 57.058 58.100 -0.514 0.000 1.169 386 Y CB 0.407 38.547 38.460 -0.534 0.000 1.192 386 Y HN 0.633 nan 8.280 nan 0.000 0.487 387 F N 4.163 123.295 119.950 -1.362 0.000 2.493 387 F HA 0.336 4.368 4.527 -0.825 0.000 0.329 387 F C -0.379 174.634 175.800 -1.311 0.000 1.126 387 F CA -1.047 56.137 58.000 -1.359 0.000 0.937 387 F CB 1.734 39.514 39.000 -2.034 0.000 1.146 387 F HN 0.289 nan 8.300 nan 0.000 0.442 388 Q N 3.302 122.697 119.800 -0.676 0.000 2.349 388 Q HA 0.258 4.103 4.340 -0.825 0.000 0.254 388 Q C 1.082 176.999 176.000 -0.139 0.000 0.980 388 Q CA -0.193 55.380 55.803 -0.384 0.000 0.924 388 Q CB 0.987 29.573 28.738 -0.253 0.000 1.209 388 Q HN 0.744 nan 8.270 nan 0.000 0.445 389 I N 0.138 120.686 120.570 -0.037 0.000 2.576 389 I HA -0.254 3.421 4.170 -0.825 0.000 0.263 389 I C 0.512 176.840 176.117 0.352 0.000 1.183 389 I CA 1.961 63.413 61.300 0.253 0.000 1.432 389 I CB 0.026 38.214 38.000 0.314 0.000 1.100 389 I HN 0.486 nan 8.210 nan 0.000 0.452 390 D N -0.512 119.987 120.400 0.164 0.000 2.620 390 D HA 0.214 4.359 4.640 -0.825 0.000 0.260 390 D C -0.103 176.197 176.300 -0.000 0.000 1.367 390 D CA -0.367 53.680 54.000 0.078 0.000 0.805 390 D CB 0.014 40.848 40.800 0.055 0.000 1.096 390 D HN 0.249 nan 8.370 nan 0.000 0.488 391 K N 0.794 121.196 120.400 0.003 0.000 2.244 391 K HA 0.310 4.134 4.320 -0.825 0.000 0.260 391 K C 1.018 177.569 176.600 -0.082 0.000 0.951 391 K CA -0.612 55.637 56.287 -0.064 0.000 0.826 391 K CB 1.788 34.224 32.500 -0.106 0.000 1.108 391 K HN -0.378 nan 8.250 nan 0.000 0.433 392 K N 0.926 121.259 120.400 -0.112 0.000 2.147 392 K HA -0.046 3.778 4.320 -0.825 0.000 0.205 392 K C -0.274 176.241 176.600 -0.142 0.000 1.049 392 K CA 1.292 57.509 56.287 -0.116 0.000 0.936 392 K CB -0.127 32.313 32.500 -0.099 0.000 0.722 392 K HN 0.624 nan 8.250 nan 0.000 0.446 393 D N 0.422 120.698 120.400 -0.207 0.000 2.163 393 D HA 0.130 4.274 4.640 -0.825 0.000 0.248 393 D C 0.151 176.128 176.300 -0.539 0.000 1.035 393 D CA -0.495 53.320 54.000 -0.307 0.000 0.872 393 D CB 1.561 42.235 40.800 -0.210 0.000 1.183 393 D HN 0.146 nan 8.370 nan 0.000 0.445 394 c N 0.034 118.176 118.600 -0.764 0.000 2.355 394 c HA 0.695 4.769 4.570 -0.825 0.000 0.332 394 c C 0.233 173.911 174.090 -0.687 0.000 1.255 394 c CA -0.563 55.125 56.329 -1.069 0.000 1.792 394 c CB 0.669 42.011 42.510 -1.946 0.000 2.300 394 c HN 0.473 nan 8.230 nan 0.000 0.515 395 T N 4.634 118.899 114.554 -0.482 0.000 2.832 395 T HA 0.386 4.241 4.350 -0.825 0.000 0.313 395 T C -0.247 174.310 174.700 -0.238 0.000 1.035 395 T CA 0.151 62.099 62.100 -0.254 0.000 0.950 395 T CB -0.348 68.487 68.868 -0.055 0.000 0.984 395 T HN 0.542 nan 8.240 nan 0.000 0.486 396 F N 3.163 123.029 119.950 -0.141 0.000 2.607 396 F HA 0.097 4.128 4.527 -0.826 0.000 0.374 396 F C 1.693 177.321 175.800 -0.287 0.000 1.104 396 F CA -0.485 57.416 58.000 -0.164 0.000 1.296 396 F CB 0.237 39.150 39.000 -0.144 0.000 1.085 396 F HN 0.567 nan 8.300 nan 0.000 0.584 397 I N -0.945 119.504 120.570 -0.202 0.000 4.018 397 I HA 0.237 3.911 4.170 -0.825 0.000 0.337 397 I C 0.141 176.080 176.117 -0.296 0.000 1.327 397 I CA 0.083 61.034 61.300 -0.582 0.000 1.100 397 I CB -0.089 37.347 38.000 -0.941 0.000 1.025 397 I HN 0.495 nan 8.210 nan 0.000 0.396 398 T N -0.044 114.372 114.554 -0.230 0.000 2.883 398 T HA 0.699 4.554 4.350 -0.825 0.000 0.296 398 T C -0.734 173.504 174.700 -0.771 0.000 1.117 398 T CA -0.743 61.153 62.100 -0.339 0.000 1.006 398 T CB 2.671 71.381 68.868 -0.263 0.000 1.191 398 T HN 0.447 nan 8.240 nan 0.000 0.508 399 K N -0.466 119.260 120.400 -1.125 0.000 2.642 399 K HA 0.709 4.534 4.320 -0.825 0.000 0.290 399 K C -0.516 175.434 176.600 -1.083 0.000 1.006 399 K CA -0.761 54.632 56.287 -1.491 0.000 0.869 399 K CB 1.259 33.357 32.500 -0.670 0.000 1.499 399 K HN 1.659 nan 8.250 nan 0.000 0.403 400 G N -0.099 108.224 108.800 -0.794 0.000 2.346 400 G HA2 0.085 3.549 3.960 -0.825 0.000 0.294 400 G HA3 0.085 3.549 3.960 -0.825 0.000 0.294 400 G C -0.787 173.653 174.900 -0.766 0.000 1.294 400 G CA -0.223 44.567 45.100 -0.516 0.000 0.962 400 G HN 1.047 nan 8.290 nan 0.000 0.508 401 T N -0.938 113.324 114.554 -0.488 0.000 3.389 401 T HA 0.576 4.431 4.350 -0.825 0.000 0.238 401 T C 0.089 174.874 174.700 0.143 0.000 1.178 401 T CA 0.412 62.122 62.100 -0.651 0.000 1.117 401 T CB -0.859 67.906 68.868 -0.172 0.000 1.177 401 T HN 1.427 nan 8.240 nan 0.000 0.653 402 W N -0.535 120.800 121.300 0.058 0.000 2.959 402 W HA 0.731 4.896 4.660 -0.826 0.000 0.358 402 W C -1.167 175.428 176.519 0.126 0.000 1.228 402 W CA -1.036 56.407 57.345 0.165 0.000 1.183 402 W CB 0.592 30.095 29.460 0.072 0.000 1.467 402 W HN 0.160 nan 8.180 nan 0.000 0.578 403 E N 0.039 120.425 120.200 0.310 0.000 2.428 403 E HA 0.595 4.450 4.350 -0.825 0.000 0.259 403 E C -1.375 175.385 176.600 0.267 0.000 0.930 403 E CA -1.124 55.266 56.400 -0.017 0.000 0.823 403 E CB 2.775 32.470 29.700 -0.008 0.000 1.403 403 E HN 0.163 nan 8.360 nan 0.000 0.415 404 V N 2.525 122.525 119.914 0.143 0.000 2.384 404 V HA 0.124 3.749 4.120 -0.825 0.000 0.287 404 V C 0.896 177.141 176.094 0.252 0.000 1.020 404 V CA -0.458 62.026 62.300 0.307 0.000 0.850 404 V CB 1.171 33.155 31.823 0.268 0.000 0.987 404 V HN 0.643 nan 8.190 nan 0.000 0.436 405 I N 2.808 123.529 120.570 0.252 0.000 2.233 405 I HA 0.186 3.861 4.170 -0.825 0.000 0.243 405 I C 1.144 177.394 176.117 0.222 0.000 1.093 405 I CA 1.417 62.851 61.300 0.223 0.000 1.380 405 I CB -0.784 37.281 38.000 0.108 0.000 1.067 405 I HN 0.780 nan 8.210 nan 0.000 0.413 406 G N 0.412 109.345 108.800 0.222 0.000 2.616 406 G HA2 0.479 3.944 3.960 -0.825 0.000 0.294 406 G HA3 0.479 3.944 3.960 -0.825 0.000 0.294 406 G C -1.162 173.865 174.900 0.212 0.000 1.489 406 G CA -0.652 44.575 45.100 0.212 0.000 0.836 406 G HN -0.021 nan 8.290 nan 0.000 0.527 407 I N 1.637 122.280 120.570 0.121 0.000 2.396 407 I HA 0.202 3.877 4.170 -0.825 0.000 0.289 407 I C 0.728 176.858 176.117 0.021 0.000 1.056 407 I CA -0.357 60.930 61.300 -0.021 0.000 1.365 407 I CB 1.459 39.189 38.000 -0.449 0.000 1.407 407 I HN 0.517 nan 8.210 nan 0.000 0.509 408 E N 5.235 125.534 120.200 0.165 0.000 2.447 408 E HA 0.346 4.201 4.350 -0.825 0.000 0.204 408 E C 0.046 176.820 176.600 0.291 0.000 0.977 408 E CA 0.093 56.658 56.400 0.275 0.000 0.950 408 E CB 1.069 30.975 29.700 0.343 0.000 0.975 408 E HN 0.658 nan 8.360 nan 0.000 0.496 409 A N 0.951 123.862 122.820 0.152 0.000 2.577 409 A HA 0.544 4.369 4.320 -0.825 0.000 0.297 409 A C -1.966 175.646 177.584 0.047 0.000 1.060 409 A CA -0.649 51.371 52.037 -0.029 0.000 0.697 409 A CB 1.233 19.810 19.000 -0.704 0.000 1.281 409 A HN 0.034 nan 8.150 nan 0.000 0.402 410 L N 2.595 123.837 121.223 0.033 0.000 2.485 410 L HA 0.633 4.478 4.340 -0.825 0.000 0.260 410 L C 0.478 177.381 176.870 0.056 0.000 0.998 410 L CA 0.409 55.268 54.840 0.030 0.000 0.883 410 L CB 1.201 43.281 42.059 0.035 0.000 1.196 410 L HN 1.081 nan 8.230 nan 0.000 0.443 411 T N -0.321 114.281 114.554 0.079 0.000 2.867 411 T HA 0.378 4.233 4.350 -0.825 0.000 0.286 411 T C 1.158 175.892 174.700 0.057 0.000 1.022 411 T CA 0.141 62.289 62.100 0.081 0.000 0.933 411 T CB 0.915 69.865 68.868 0.136 0.000 1.280 411 T HN 0.560 nan 8.240 nan 0.000 0.566 412 S N -0.675 115.052 115.700 0.044 0.000 2.562 412 S HA 0.052 4.027 4.470 -0.825 0.000 0.221 412 S C 0.588 175.158 174.600 -0.050 0.000 0.975 412 S CA 0.256 58.471 58.200 0.024 0.000 0.918 412 S CB -0.277 62.941 63.200 0.029 0.000 0.772 412 S HN 0.778 nan 8.310 nan 0.000 0.531 413 D N -0.961 119.370 120.400 -0.114 0.000 2.498 413 D HA 0.220 4.365 4.640 -0.825 0.000 0.223 413 D C -0.502 175.449 176.300 -0.581 0.000 1.125 413 D CA 0.122 53.904 54.000 -0.364 0.000 0.835 413 D CB 0.427 40.956 40.800 -0.452 0.000 1.086 413 D HN 0.426 nan 8.370 nan 0.000 0.510 414 Y N 0.253 120.493 120.300 -0.099 0.000 2.562 414 Y HA 0.489 4.544 4.550 -0.825 0.000 0.345 414 Y C -0.936 174.829 175.900 -0.225 0.000 1.045 414 Y CA -1.148 56.821 58.100 -0.218 0.000 1.028 414 Y CB 2.941 41.161 38.460 -0.399 0.000 1.297 414 Y HN -0.239 nan 8.280 nan 0.000 0.463 415 L N 2.941 124.111 121.223 -0.089 0.000 2.404 415 L HA 0.561 4.406 4.340 -0.825 0.000 0.272 415 L C -1.898 174.958 176.870 -0.024 0.000 0.980 415 L CA -0.574 54.192 54.840 -0.123 0.000 0.836 415 L CB 0.811 42.675 42.059 -0.324 0.000 1.238 415 L HN 0.619 nan 8.230 nan 0.000 0.408 416 Y N 4.684 125.003 120.300 0.032 0.000 2.323 416 Y HA 0.535 4.590 4.550 -0.826 0.000 0.331 416 Y C -0.220 175.844 175.900 0.273 0.000 1.092 416 Y CA -0.305 57.881 58.100 0.143 0.000 1.150 416 Y CB 1.188 39.689 38.460 0.068 0.000 1.200 416 Y HN 0.525 nan 8.280 nan 0.000 0.472 417 Y N -0.359 120.057 120.300 0.194 0.000 2.625 417 Y HA 0.813 4.868 4.550 -0.826 0.000 0.338 417 Y C -1.685 174.309 175.900 0.157 0.000 1.123 417 Y CA -1.784 56.406 58.100 0.149 0.000 1.046 417 Y CB 1.335 39.860 38.460 0.110 0.000 1.299 417 Y HN 0.355 nan 8.280 nan 0.000 0.464 418 I N 3.178 123.756 120.570 0.014 0.000 2.378 418 I HA 0.586 4.260 4.170 -0.825 0.000 0.291 418 I C -0.401 175.715 176.117 -0.001 0.000 0.992 418 I CA -0.482 60.775 61.300 -0.071 0.000 1.154 418 I CB 1.898 39.893 38.000 -0.007 0.000 1.315 418 I HN 0.852 nan 8.210 nan 0.000 0.448 419 S N 3.454 119.103 115.700 -0.085 0.000 2.671 419 S HA 0.443 4.418 4.470 -0.825 0.000 0.277 419 S C -0.548 174.021 174.600 -0.052 0.000 1.165 419 S CA -0.850 57.367 58.200 0.027 0.000 0.822 419 S CB 1.815 65.082 63.200 0.112 0.000 1.150 419 S HN 0.649 nan 8.310 nan 0.000 0.479 420 N N -0.479 118.227 118.700 0.011 0.000 2.389 420 N HA 0.191 4.436 4.740 -0.825 0.000 0.260 420 N C 0.521 175.975 175.510 -0.093 0.000 1.191 420 N CA -0.380 52.647 53.050 -0.038 0.000 0.885 420 N CB 0.320 38.791 38.487 -0.027 0.000 1.162 420 N HN 0.775 nan 8.380 nan 0.000 0.512 421 E N 0.044 120.018 120.200 -0.376 0.000 2.031 421 E HA -0.208 3.646 4.350 -0.825 0.000 0.193 421 E C -0.309 176.105 176.600 -0.311 0.000 0.994 421 E CA 0.452 56.370 56.400 -0.803 0.000 0.800 421 E CB -0.099 28.560 29.700 -1.736 0.000 0.752 421 E HN 0.385 nan 8.360 nan 0.000 0.447 422 Y N 1.959 122.117 120.300 -0.236 0.000 2.969 422 Y HA -0.227 3.827 4.550 -0.826 0.000 0.339 422 Y C 0.536 176.393 175.900 -0.072 0.000 1.272 422 Y CA 1.016 59.068 58.100 -0.079 0.000 1.577 422 Y CB 0.072 38.537 38.460 0.009 0.000 1.234 422 Y HN 0.146 nan 8.280 nan 0.000 0.590 423 K N 3.199 123.302 120.400 -0.495 0.000 3.104 423 K HA -0.278 3.546 4.320 -0.825 0.000 0.285 423 K C 0.993 177.498 176.600 -0.158 0.000 1.136 423 K CA 0.835 56.869 56.287 -0.422 0.000 0.842 423 K CB -1.850 30.286 32.500 -0.606 0.000 1.217 423 K HN 1.304 nan 8.250 nan 0.000 0.467 424 G N 0.444 109.183 108.800 -0.102 0.000 2.180 424 G HA2 -0.350 3.114 3.960 -0.825 0.000 0.263 424 G HA3 -0.350 3.114 3.960 -0.825 0.000 0.263 424 G C 0.086 174.989 174.900 0.006 0.000 0.989 424 G CA 1.032 46.127 45.100 -0.008 0.000 0.692 424 G HN 0.354 nan 8.290 nan 0.000 0.526 425 M N 1.197 120.718 119.600 -0.131 0.000 2.084 425 M HA 0.275 4.260 4.480 -0.825 0.000 0.351 425 M C -0.757 175.277 176.300 -0.444 0.000 1.240 425 M CA -1.910 53.120 55.300 -0.450 0.000 1.083 425 M CB 1.559 33.914 32.600 -0.408 0.000 1.593 425 M HN -0.073 nan 8.290 nan 0.000 0.463 426 P HA -0.065 nan 4.420 nan 0.000 0.226 426 P C 0.912 178.036 177.300 -0.293 0.000 1.153 426 P CA 1.059 63.975 63.100 -0.306 0.000 0.777 426 P CB 0.138 31.686 31.700 -0.253 0.000 0.794 427 G N -0.492 108.055 108.800 -0.422 0.000 3.233 427 G HA2 0.332 3.796 3.960 -0.825 0.000 0.227 427 G HA3 0.332 3.796 3.960 -0.825 0.000 0.227 427 G C 0.546 175.422 174.900 -0.039 0.000 1.175 427 G CA 0.008 44.986 45.100 -0.202 0.000 0.781 427 G HN 0.430 nan 8.290 nan 0.000 0.542 428 G N -0.003 108.727 108.800 -0.116 0.000 2.495 428 G HA2 0.642 4.107 3.960 -0.825 0.000 0.318 428 G HA3 0.642 4.107 3.960 -0.825 0.000 0.318 428 G C -0.724 174.067 174.900 -0.181 0.000 1.257 428 G CA -0.885 44.180 45.100 -0.058 0.000 0.962 428 G HN 0.191 nan 8.290 nan 0.000 0.483 429 R N 1.517 121.824 120.500 -0.322 0.000 2.670 429 R HA 0.508 4.353 4.340 -0.825 0.000 0.289 429 R C -1.082 175.178 176.300 -0.067 0.000 0.965 429 R CA -0.953 54.973 56.100 -0.290 0.000 0.899 429 R CB 2.312 32.272 30.300 -0.566 0.000 1.173 429 R HN 0.506 nan 8.270 nan 0.000 0.456 430 N N 1.521 120.224 118.700 0.004 0.000 2.277 430 N HA 0.241 4.485 4.740 -0.825 0.000 0.286 430 N C -1.457 174.032 175.510 -0.036 0.000 1.140 430 N CA -0.805 52.267 53.050 0.037 0.000 0.799 430 N CB 2.679 41.196 38.487 0.050 0.000 1.596 430 N HN 0.234 nan 8.380 nan 0.000 0.473 431 L N 2.128 123.209 121.223 -0.236 0.000 2.349 431 L HA 0.426 4.271 4.340 -0.825 0.000 0.275 431 L C -1.341 175.321 176.870 -0.348 0.000 1.115 431 L CA 0.385 55.062 54.840 -0.271 0.000 0.820 431 L CB -0.128 41.701 42.059 -0.384 0.000 1.135 431 L HN 0.433 nan 8.230 nan 0.000 0.445 432 Y N 3.139 123.133 120.300 -0.510 0.000 2.638 432 Y HA 0.614 4.668 4.550 -0.826 0.000 0.339 432 Y C -0.692 175.081 175.900 -0.211 0.000 1.084 432 Y CA -0.978 56.855 58.100 -0.446 0.000 1.068 432 Y CB 1.698 39.740 38.460 -0.695 0.000 1.294 432 Y HN 0.573 nan 8.280 nan 0.000 0.480 433 K N 1.798 122.235 120.400 0.061 0.000 2.513 433 K HA 0.669 4.494 4.320 -0.825 0.000 0.251 433 K C -2.101 174.532 176.600 0.056 0.000 0.939 433 K CA -0.646 55.546 56.287 -0.158 0.000 0.793 433 K CB 2.577 34.574 32.500 -0.839 0.000 1.241 433 K HN 0.737 nan 8.250 nan 0.000 0.431 434 I N 2.496 123.145 120.570 0.132 0.000 2.378 434 I HA 0.158 3.833 4.170 -0.825 0.000 0.291 434 I C -0.548 175.728 176.117 0.266 0.000 0.992 434 I CA -0.770 60.645 61.300 0.191 0.000 1.154 434 I CB 1.856 39.919 38.000 0.104 0.000 1.315 434 I HN 0.852 nan 8.210 nan 0.000 0.448 435 Q N 6.646 126.616 119.800 0.284 0.000 2.276 435 Q HA 0.138 3.983 4.340 -0.825 0.000 0.267 435 Q C 0.557 176.552 176.000 -0.009 0.000 1.135 435 Q CA -0.115 55.718 55.803 0.049 0.000 0.910 435 Q CB 0.802 29.552 28.738 0.020 0.000 1.271 435 Q HN 0.821 nan 8.270 nan 0.000 0.417 436 L N 2.392 123.573 121.223 -0.071 0.000 2.189 436 L HA -0.236 3.609 4.340 -0.825 0.000 0.214 436 L C 2.188 178.965 176.870 -0.155 0.000 1.097 436 L CA 1.477 56.338 54.840 0.034 0.000 0.764 436 L CB -0.604 41.444 42.059 -0.020 0.000 0.900 436 L HN 0.662 nan 8.230 nan 0.000 0.436 437 S N -2.474 113.084 115.700 -0.237 0.000 2.528 437 S HA -0.055 3.920 4.470 -0.825 0.000 0.219 437 S C 0.689 175.080 174.600 -0.348 0.000 0.985 437 S CA 0.241 58.273 58.200 -0.280 0.000 0.914 437 S CB 0.113 63.188 63.200 -0.208 0.000 0.776 437 S HN 0.402 nan 8.310 nan 0.000 0.526 438 D N 0.100 120.303 120.400 -0.328 0.000 2.668 438 D HA 0.172 4.317 4.640 -0.825 0.000 0.247 438 D C -0.574 175.649 176.300 -0.127 0.000 1.268 438 D CA -0.631 53.208 54.000 -0.268 0.000 0.842 438 D CB -0.325 40.395 40.800 -0.133 0.000 1.399 438 D HN 0.036 nan 8.370 nan 0.000 0.530 439 Y N 0.656 120.938 120.300 -0.030 0.000 2.798 439 Y HA -0.127 3.928 4.550 -0.825 0.000 0.282 439 Y C 2.284 178.191 175.900 0.010 0.000 1.163 439 Y CA 1.454 59.547 58.100 -0.012 0.000 1.522 439 Y CB -1.307 37.140 38.460 -0.021 0.000 0.955 439 Y HN 0.358 nan 8.280 nan 0.000 0.600 440 T N -4.820 109.808 114.554 0.123 0.000 3.040 440 T HA 0.135 3.989 4.350 -0.825 0.000 0.266 440 T C 0.761 175.513 174.700 0.087 0.000 1.005 440 T CA -0.349 61.808 62.100 0.095 0.000 0.906 440 T CB 0.180 69.081 68.868 0.054 0.000 1.082 440 T HN -0.113 nan 8.240 nan 0.000 0.531 441 K N 2.848 123.304 120.400 0.093 0.000 3.000 441 K HA 0.397 4.222 4.320 -0.825 0.000 0.239 441 K C -0.372 176.305 176.600 0.128 0.000 1.269 441 K CA -0.175 56.168 56.287 0.093 0.000 1.220 441 K CB 0.579 33.126 32.500 0.077 0.000 1.645 441 K HN 0.310 nan 8.250 nan 0.000 0.423 442 V N 1.112 121.110 119.914 0.140 0.000 2.649 442 V HA 0.227 3.852 4.120 -0.825 0.000 0.292 442 V C 0.519 176.688 176.094 0.125 0.000 1.055 442 V CA -0.207 62.203 62.300 0.182 0.000 1.023 442 V CB 1.279 33.252 31.823 0.250 0.000 0.992 442 V HN 0.334 nan 8.190 nan 0.000 0.480 443 T N 2.894 117.493 114.554 0.076 0.000 2.949 443 T HA 0.180 4.034 4.350 -0.825 0.000 0.300 443 T C -0.500 174.034 174.700 -0.277 0.000 0.988 443 T CA -0.308 61.744 62.100 -0.080 0.000 0.993 443 T CB 1.075 69.871 68.868 -0.120 0.000 0.984 443 T HN 0.834 nan 8.240 nan 0.000 0.442 444 C N 6.075 125.041 119.300 -0.557 0.000 2.383 444 C HA 0.327 4.291 4.460 -0.825 0.000 0.350 444 C C 1.739 176.298 174.990 -0.718 0.000 1.173 444 C CA -0.629 57.653 59.018 -1.226 0.000 1.645 444 C CB -2.244 24.604 27.740 -1.488 0.000 2.221 444 C HN 0.958 nan 8.230 nan 0.000 0.528 445 L N 4.917 125.786 121.223 -0.590 0.000 2.610 445 L HA 0.053 3.898 4.340 -0.825 0.000 0.232 445 L C 2.051 178.623 176.870 -0.496 0.000 1.149 445 L CA 0.944 55.532 54.840 -0.420 0.000 0.872 445 L CB -0.535 41.340 42.059 -0.308 0.000 0.992 445 L HN 0.875 nan 8.230 nan 0.000 0.447 446 S N -3.239 112.088 115.700 -0.622 0.000 2.670 446 S HA -0.005 3.970 4.470 -0.825 0.000 0.241 446 S C 1.902 176.246 174.600 -0.426 0.000 1.077 446 S CA 0.141 57.944 58.200 -0.662 0.000 0.899 446 S CB -0.305 62.232 63.200 -1.104 0.000 0.835 446 S HN 0.331 nan 8.310 nan 0.000 0.481 447 C N 2.477 121.437 119.300 -0.567 0.000 2.271 447 C HA -0.153 3.812 4.460 -0.825 0.000 0.269 447 C C 2.529 177.283 174.990 -0.393 0.000 1.131 447 C CA 1.982 60.556 59.018 -0.740 0.000 1.794 447 C CB -1.364 25.567 27.740 -1.348 0.000 1.930 447 C HN 0.676 nan 8.230 nan 0.000 0.417 448 E N 0.207 120.212 120.200 -0.325 0.000 2.511 448 E HA 0.076 3.930 4.350 -0.825 0.000 0.196 448 E C 1.849 178.411 176.600 -0.062 0.000 1.066 448 E CA 0.016 56.341 56.400 -0.126 0.000 0.871 448 E CB -0.377 29.260 29.700 -0.105 0.000 0.863 448 E HN 0.568 nan 8.360 nan 0.000 0.520 449 L N 0.208 121.391 121.223 -0.068 0.000 2.043 449 L HA -0.162 3.683 4.340 -0.825 0.000 0.212 449 L C 0.922 177.812 176.870 0.033 0.000 1.075 449 L CA 1.043 55.877 54.840 -0.011 0.000 0.752 449 L CB -0.051 42.010 42.059 0.003 0.000 0.891 449 L HN 0.182 nan 8.230 nan 0.000 0.432 450 N N -1.848 116.886 118.700 0.057 0.000 3.354 450 N HA 0.037 4.281 4.740 -0.825 0.000 0.196 450 N C -2.179 173.362 175.510 0.052 0.000 1.486 450 N CA -0.626 52.450 53.050 0.043 0.000 0.768 450 N CB 0.797 39.304 38.487 0.032 0.000 1.625 450 N HN -0.202 nan 8.380 nan 0.000 0.636 451 P HA -0.147 nan 4.420 nan 0.000 0.216 451 P C 0.997 178.330 177.300 0.055 0.000 1.150 451 P CA 1.147 64.308 63.100 0.102 0.000 0.837 451 P CB 0.852 32.628 31.700 0.127 0.000 0.786 452 E N -0.157 120.059 120.200 0.026 0.000 2.012 452 E HA -0.199 3.656 4.350 -0.825 0.000 0.197 452 E C 2.506 179.092 176.600 -0.023 0.000 1.007 452 E CA 1.108 57.509 56.400 0.001 0.000 0.816 452 E CB -0.284 29.412 29.700 -0.008 0.000 0.762 452 E HN 0.124 nan 8.360 nan 0.000 0.451 453 R N -0.066 120.411 120.500 -0.038 0.000 2.093 453 R HA -0.008 3.837 4.340 -0.825 0.000 0.224 453 R C 0.038 176.277 176.300 -0.102 0.000 1.101 453 R CA 0.768 56.822 56.100 -0.076 0.000 0.979 453 R CB 0.134 30.384 30.300 -0.083 0.000 0.877 453 R HN 0.145 nan 8.270 nan 0.000 0.441 454 c N 0.507 119.051 118.600 -0.092 0.000 2.382 454 c HA 0.441 4.516 4.570 -0.825 0.000 0.327 454 c C 0.257 174.269 174.090 -0.131 0.000 1.250 454 c CA -0.650 55.560 56.329 -0.199 0.000 1.707 454 c CB 1.783 44.116 42.510 -0.296 0.000 2.272 454 c HN 0.568 nan 8.230 nan 0.000 0.506 455 Q N -0.078 119.621 119.800 -0.168 0.000 1.982 455 Q HA 0.146 3.991 4.340 -0.825 0.000 0.208 455 Q C -1.119 174.868 176.000 -0.022 0.000 0.751 455 Q CA 0.113 55.901 55.803 -0.024 0.000 0.914 455 Q CB 1.136 29.890 28.738 0.028 0.000 1.207 455 Q HN 0.805 nan 8.270 nan 0.000 0.433 456 Y N 0.551 120.676 120.300 -0.293 0.000 2.363 456 Y HA 0.423 4.477 4.550 -0.825 0.000 0.325 456 Y C -1.441 174.252 175.900 -0.344 0.000 0.984 456 Y CA -0.892 57.076 58.100 -0.220 0.000 1.248 456 Y CB 0.833 39.197 38.460 -0.161 0.000 1.116 456 Y HN -0.102 nan 8.280 nan 0.000 0.470 457 Y N 2.199 122.411 120.300 -0.146 0.000 2.528 457 Y HA 0.658 4.713 4.550 -0.825 0.000 0.335 457 Y C 0.052 175.878 175.900 -0.125 0.000 1.093 457 Y CA -0.643 57.392 58.100 -0.108 0.000 1.134 457 Y CB 2.335 40.715 38.460 -0.134 0.000 1.253 457 Y HN 0.464 nan 8.280 nan 0.000 0.478 458 S N 1.059 116.855 115.700 0.160 0.000 2.564 458 S HA 0.851 4.826 4.470 -0.825 0.000 0.274 458 S C -2.057 172.585 174.600 0.070 0.000 1.124 458 S CA -0.519 57.734 58.200 0.089 0.000 0.869 458 S CB 1.554 64.825 63.200 0.119 0.000 1.105 458 S HN 0.621 nan 8.310 nan 0.000 0.472 459 V N 1.421 121.344 119.914 0.016 0.000 3.160 459 V HA 0.941 4.566 4.120 -0.825 0.000 0.310 459 V C -1.046 175.030 176.094 -0.029 0.000 1.181 459 V CA -0.261 61.995 62.300 -0.074 0.000 1.047 459 V CB 2.368 33.989 31.823 -0.337 0.000 1.068 459 V HN 1.068 nan 8.190 nan 0.000 0.441 460 S N 2.119 117.783 115.700 -0.059 0.000 2.668 460 S HA 0.690 4.665 4.470 -0.825 0.000 0.277 460 S C -1.564 173.136 174.600 0.166 0.000 1.170 460 S CA -0.361 57.931 58.200 0.155 0.000 0.994 460 S CB 0.831 64.217 63.200 0.310 0.000 1.051 460 S HN 0.499 nan 8.310 nan 0.000 0.484 461 F N 3.176 123.282 119.950 0.259 0.000 2.469 461 F HA 0.460 4.492 4.527 -0.825 0.000 0.332 461 F C 1.250 176.799 175.800 -0.418 0.000 1.103 461 F CA -0.637 57.353 58.000 -0.018 0.000 0.979 461 F CB 2.050 40.993 39.000 -0.095 0.000 1.137 461 F HN 0.681 nan 8.300 nan 0.000 0.463 462 S N 2.621 117.747 115.700 -0.957 0.000 2.634 462 S HA 0.147 4.122 4.470 -0.825 0.000 0.254 462 S C 1.377 175.760 174.600 -0.361 0.000 1.299 462 S CA -0.759 56.621 58.200 -1.366 0.000 0.974 462 S CB 0.617 62.911 63.200 -1.509 0.000 1.001 462 S HN 0.541 nan 8.310 nan 0.000 0.584 463 K N 1.100 121.404 120.400 -0.161 0.000 2.049 463 K HA -0.131 3.694 4.320 -0.825 0.000 0.219 463 K C 0.943 177.522 176.600 -0.035 0.000 1.056 463 K CA 1.777 58.050 56.287 -0.023 0.000 0.946 463 K CB -0.703 31.811 32.500 0.024 0.000 0.723 463 K HN 0.698 nan 8.250 nan 0.000 0.453 464 E N -0.327 119.827 120.200 -0.076 0.000 2.723 464 E HA 0.277 4.132 4.350 -0.825 0.000 0.219 464 E C -0.190 176.318 176.600 -0.153 0.000 1.060 464 E CA -0.055 56.299 56.400 -0.076 0.000 1.291 464 E CB 0.317 29.990 29.700 -0.046 0.000 1.265 464 E HN 0.267 nan 8.360 nan 0.000 0.438 465 A N 1.416 124.109 122.820 -0.211 0.000 2.744 465 A HA -0.351 3.474 4.320 -0.825 0.000 0.300 465 A C 1.678 179.113 177.584 -0.248 0.000 1.512 465 A CA 1.839 53.665 52.037 -0.351 0.000 0.851 465 A CB -1.648 16.940 19.000 -0.687 0.000 0.987 465 A HN 0.389 nan 8.150 nan 0.000 0.507 466 K N -1.550 118.701 120.400 -0.248 0.000 2.001 466 K HA -0.026 3.799 4.320 -0.825 0.000 0.208 466 K C 0.424 176.806 176.600 -0.362 0.000 1.048 466 K CA 1.597 57.671 56.287 -0.354 0.000 0.932 466 K CB -0.068 32.118 32.500 -0.524 0.000 0.715 466 K HN 0.611 nan 8.250 nan 0.000 0.437 467 Y N -1.237 119.006 120.300 -0.096 0.000 2.602 467 Y HA 0.361 4.416 4.550 -0.826 0.000 0.330 467 Y C -0.733 175.245 175.900 0.131 0.000 1.114 467 Y CA -1.122 56.958 58.100 -0.034 0.000 1.182 467 Y CB 1.473 39.912 38.460 -0.035 0.000 1.305 467 Y HN 0.100 nan 8.280 nan 0.000 0.502 468 Y N -1.376 119.143 120.300 0.365 0.000 2.558 468 Y HA 0.477 4.531 4.550 -0.826 0.000 0.333 468 Y C -1.404 174.665 175.900 0.283 0.000 1.125 468 Y CA -1.347 56.880 58.100 0.211 0.000 1.039 468 Y CB 1.408 39.724 38.460 -0.240 0.000 1.331 468 Y HN 0.595 nan 8.280 nan 0.000 0.456 469 Q N 3.826 123.895 119.800 0.449 0.000 2.293 469 Q HA 0.591 4.435 4.340 -0.825 0.000 0.261 469 Q C -1.945 174.231 176.000 0.292 0.000 0.960 469 Q CA -0.859 55.126 55.803 0.305 0.000 0.882 469 Q CB 1.638 30.485 28.738 0.182 0.000 1.275 469 Q HN 0.965 nan 8.270 nan 0.000 0.445 470 L N 4.221 125.642 121.223 0.329 0.000 2.272 470 L HA 0.496 4.340 4.340 -0.825 0.000 0.289 470 L C -0.025 176.976 176.870 0.218 0.000 1.032 470 L CA -0.466 54.514 54.840 0.233 0.000 0.810 470 L CB 1.402 43.563 42.059 0.171 0.000 1.205 470 L HN 0.566 nan 8.230 nan 0.000 0.422 471 R N 3.906 124.516 120.500 0.183 0.000 2.233 471 R HA 0.253 4.097 4.340 -0.825 0.000 0.334 471 R C -0.916 175.351 176.300 -0.055 0.000 1.037 471 R CA -0.430 55.660 56.100 -0.017 0.000 0.920 471 R CB 0.821 31.172 30.300 0.087 0.000 1.137 471 R HN 0.687 nan 8.270 nan 0.000 0.492 472 c N 4.679 123.142 118.600 -0.228 0.000 2.246 472 c HA 0.337 4.412 4.570 -0.825 0.000 0.329 472 c C 1.157 175.047 174.090 -0.333 0.000 1.221 472 c CA -0.451 55.646 56.329 -0.386 0.000 1.697 472 c CB -0.090 42.190 42.510 -0.383 0.000 2.312 472 c HN 0.885 nan 8.230 nan 0.000 0.509 473 S N 3.828 119.403 115.700 -0.209 0.000 2.574 473 S HA 0.613 4.588 4.470 -0.825 0.000 0.242 473 S C 0.466 175.019 174.600 -0.078 0.000 0.982 473 S CA 0.169 58.298 58.200 -0.117 0.000 0.977 473 S CB 0.004 63.181 63.200 -0.038 0.000 0.814 473 S HN 1.772 nan 8.310 nan 0.000 0.464 474 G N 1.888 110.619 108.800 -0.115 0.000 2.336 474 G HA2 0.330 3.795 3.960 -0.825 0.000 0.300 474 G HA3 0.330 3.795 3.960 -0.825 0.000 0.300 474 G C -2.995 171.848 174.900 -0.094 0.000 1.375 474 G CA -0.559 44.499 45.100 -0.069 0.000 0.885 474 G HN -0.109 nan 8.290 nan 0.000 0.599 475 P HA 0.121 nan 4.420 nan 0.000 0.229 475 P C 1.233 178.479 177.300 -0.091 0.000 1.160 475 P CA 1.381 64.466 63.100 -0.025 0.000 0.777 475 P CB 0.363 32.053 31.700 -0.016 0.000 0.814 476 G N 0.436 109.133 108.800 -0.172 0.000 2.547 476 G HA2 0.415 3.880 3.960 -0.825 0.000 0.291 476 G HA3 0.415 3.880 3.960 -0.825 0.000 0.291 476 G C -0.183 174.468 174.900 -0.416 0.000 1.211 476 G CA -0.761 44.159 45.100 -0.299 0.000 0.950 476 G HN 0.034 nan 8.290 nan 0.000 0.504 477 L N 1.046 121.952 121.223 -0.527 0.000 2.514 477 L HA 0.075 3.920 4.340 -0.825 0.000 0.280 477 L C -1.757 174.985 176.870 -0.213 0.000 1.223 477 L CA -1.061 53.514 54.840 -0.442 0.000 0.864 477 L CB 0.211 42.075 42.059 -0.325 0.000 1.118 477 L HN 0.267 nan 8.230 nan 0.000 0.494 478 P HA -0.051 nan 4.420 nan 0.000 0.266 478 P C -0.878 176.325 177.300 -0.160 0.000 1.180 478 P CA 0.145 63.157 63.100 -0.146 0.000 0.765 478 P CB 0.422 32.095 31.700 -0.044 0.000 0.806 479 L N 4.781 125.834 121.223 -0.283 0.000 2.441 479 L HA 0.440 4.285 4.340 -0.825 0.000 0.270 479 L C -1.843 174.881 176.870 -0.243 0.000 0.973 479 L CA -0.778 53.961 54.840 -0.169 0.000 0.842 479 L CB 0.728 42.726 42.059 -0.102 0.000 1.239 479 L HN 0.232 nan 8.230 nan 0.000 0.406 480 Y N 2.839 123.103 120.300 -0.060 0.000 2.331 480 Y HA 0.732 4.786 4.550 -0.826 0.000 0.338 480 Y C 0.601 176.389 175.900 -0.187 0.000 0.992 480 Y CA -0.385 57.659 58.100 -0.094 0.000 1.121 480 Y CB 2.073 40.450 38.460 -0.139 0.000 1.184 480 Y HN 0.657 nan 8.280 nan 0.000 0.469 481 T N 1.345 115.894 114.554 -0.008 0.000 2.909 481 T HA 0.627 4.482 4.350 -0.825 0.000 0.299 481 T C -1.570 172.962 174.700 -0.281 0.000 1.073 481 T CA -0.860 61.127 62.100 -0.188 0.000 0.999 481 T CB 1.646 70.409 68.868 -0.175 0.000 1.098 481 T HN 0.392 nan 8.240 nan 0.000 0.477 482 L N 3.016 123.980 121.223 -0.433 0.000 2.309 482 L HA 0.631 4.476 4.340 -0.825 0.000 0.282 482 L C -0.478 176.014 176.870 -0.630 0.000 1.036 482 L CA -0.153 54.487 54.840 -0.332 0.000 0.806 482 L CB 0.732 42.680 42.059 -0.184 0.000 1.220 482 L HN 0.843 nan 8.230 nan 0.000 0.429 483 H N 1.385 120.247 119.070 -0.347 0.000 2.907 483 H HA 0.646 4.707 4.556 -0.826 0.000 0.361 483 H C -0.960 174.088 175.328 -0.468 0.000 1.194 483 H CA -0.796 54.897 56.048 -0.592 0.000 1.152 483 H CB 2.004 31.038 29.762 -1.213 0.000 1.867 483 H HN 0.566 nan 8.280 nan 0.000 0.561 484 S N -0.267 115.353 115.700 -0.133 0.000 2.500 484 S HA 0.255 4.230 4.470 -0.825 0.000 0.301 484 S C 0.533 175.180 174.600 0.079 0.000 1.092 484 S CA -0.715 57.548 58.200 0.106 0.000 1.030 484 S CB 2.006 65.342 63.200 0.226 0.000 1.031 484 S HN 0.555 nan 8.310 nan 0.000 0.483 485 S N 1.897 117.675 115.700 0.131 0.000 2.368 485 S HA -0.128 3.846 4.470 -0.825 0.000 0.225 485 S C 1.984 176.667 174.600 0.137 0.000 1.030 485 S CA 1.110 59.436 58.200 0.209 0.000 0.999 485 S CB -0.598 62.670 63.200 0.112 0.000 0.844 485 S HN 0.732 nan 8.310 nan 0.000 0.459 486 V N 2.394 122.343 119.914 0.058 0.000 2.311 486 V HA -0.248 3.376 4.120 -0.825 0.000 0.256 486 V C 0.920 177.056 176.094 0.071 0.000 1.077 486 V CA 2.122 64.455 62.300 0.054 0.000 1.067 486 V CB -0.274 31.561 31.823 0.020 0.000 0.659 486 V HN 0.522 nan 8.190 nan 0.000 0.451 487 N N -1.525 117.218 118.700 0.071 0.000 2.039 487 N HA 0.106 4.351 4.740 -0.825 0.000 0.228 487 N C -0.635 174.911 175.510 0.061 0.000 1.369 487 N CA 0.609 53.695 53.050 0.059 0.000 0.806 487 N CB 0.640 39.154 38.487 0.044 0.000 1.190 487 N HN 0.484 nan 8.380 nan 0.000 0.506 488 D N 1.275 121.733 120.400 0.098 0.000 2.718 488 D HA -0.149 3.995 4.640 -0.825 0.000 0.242 488 D C -0.552 175.790 176.300 0.070 0.000 1.123 488 D CA 1.037 55.105 54.000 0.112 0.000 0.690 488 D CB -1.460 39.391 40.800 0.085 0.000 1.059 488 D HN 0.424 nan 8.370 nan 0.000 0.429 489 K N -0.024 120.411 120.400 0.057 0.000 2.185 489 K HA 0.592 4.416 4.320 -0.825 0.000 0.269 489 K C 1.077 177.700 176.600 0.039 0.000 0.987 489 K CA -0.679 55.634 56.287 0.042 0.000 0.865 489 K CB 1.629 34.143 32.500 0.024 0.000 1.090 489 K HN 0.114 nan 8.250 nan 0.000 0.450 490 G N 3.846 112.669 108.800 0.038 0.000 3.101 490 G HA2 0.082 3.547 3.960 -0.825 0.000 0.272 490 G HA3 0.082 3.547 3.960 -0.825 0.000 0.272 490 G C 0.971 175.766 174.900 -0.175 0.000 0.801 490 G CA -0.309 44.745 45.100 -0.077 0.000 1.978 490 G HN 0.641 nan 8.290 nan 0.000 0.591 491 L N 0.097 121.205 121.223 -0.191 0.000 2.054 491 L HA -0.219 3.626 4.340 -0.825 0.000 0.240 491 L C 1.967 178.734 176.870 -0.172 0.000 1.107 491 L CA 2.115 56.852 54.840 -0.172 0.000 0.833 491 L CB -0.419 41.515 42.059 -0.209 0.000 0.929 491 L HN 0.725 nan 8.230 nan 0.000 0.447 492 R N -2.699 117.663 120.500 -0.230 0.000 2.747 492 R HA 0.559 4.403 4.340 -0.825 0.000 0.272 492 R C -1.624 174.529 176.300 -0.246 0.000 1.032 492 R CA -1.002 54.979 56.100 -0.199 0.000 0.896 492 R CB 1.637 31.838 30.300 -0.165 0.000 1.253 492 R HN -0.205 nan 8.270 nan 0.000 0.461 493 V N 2.634 122.425 119.914 -0.207 0.000 2.370 493 V HA 0.230 3.855 4.120 -0.825 0.000 0.279 493 V C 1.163 177.080 176.094 -0.296 0.000 1.029 493 V CA -0.552 61.620 62.300 -0.213 0.000 0.870 493 V CB 1.360 33.100 31.823 -0.140 0.000 0.984 493 V HN 0.632 nan 8.190 nan 0.000 0.451 494 L N 2.790 123.756 121.223 -0.428 0.000 2.249 494 L HA 0.338 4.182 4.340 -0.825 0.000 0.207 494 L C 0.687 177.187 176.870 -0.616 0.000 1.090 494 L CA 0.599 54.965 54.840 -0.789 0.000 0.802 494 L CB 0.102 41.266 42.059 -1.491 0.000 0.947 494 L HN 0.626 nan 8.230 nan 0.000 0.453 495 E N 0.211 120.239 120.200 -0.286 0.000 2.363 495 E HA 0.133 3.988 4.350 -0.825 0.000 0.281 495 E C -1.366 175.256 176.600 0.037 0.000 0.953 495 E CA -0.380 55.981 56.400 -0.065 0.000 0.778 495 E CB 1.405 31.134 29.700 0.049 0.000 1.220 495 E HN 0.172 nan 8.360 nan 0.000 0.431 496 D N 3.070 123.484 120.400 0.024 0.000 2.562 496 D HA 0.085 4.230 4.640 -0.825 0.000 0.246 496 D C -0.515 175.792 176.300 0.012 0.000 1.347 496 D CA -0.292 53.712 54.000 0.007 0.000 0.800 496 D CB -0.183 40.603 40.800 -0.024 0.000 1.111 496 D HN 0.507 nan 8.370 nan 0.000 0.508 497 N N 1.485 120.215 118.700 0.050 0.000 2.686 497 N HA -0.249 3.996 4.740 -0.825 0.000 0.249 497 N C 1.328 176.851 175.510 0.021 0.000 1.082 497 N CA 1.070 54.151 53.050 0.051 0.000 0.725 497 N CB -1.334 37.183 38.487 0.050 0.000 1.009 497 N HN 0.535 nan 8.380 nan 0.000 0.545 498 S N -0.551 115.157 115.700 0.013 0.000 2.374 498 S HA -0.173 3.802 4.470 -0.825 0.000 0.227 498 S C 2.119 176.730 174.600 0.018 0.000 1.037 498 S CA 1.248 59.450 58.200 0.003 0.000 1.024 498 S CB -0.383 62.818 63.200 0.002 0.000 0.861 498 S HN 0.571 nan 8.310 nan 0.000 0.456 499 A N 3.001 125.843 122.820 0.037 0.000 1.848 499 A HA -0.083 3.742 4.320 -0.825 0.000 0.217 499 A C 2.240 179.862 177.584 0.062 0.000 1.220 499 A CA 1.942 54.012 52.037 0.054 0.000 0.645 499 A CB -1.422 17.619 19.000 0.069 0.000 0.842 499 A HN 0.586 nan 8.150 nan 0.000 0.451 500 L N 0.223 121.493 121.223 0.079 0.000 1.987 500 L HA -0.334 3.510 4.340 -0.825 0.000 0.230 500 L C 2.045 178.936 176.870 0.034 0.000 1.089 500 L CA 3.240 58.136 54.840 0.092 0.000 0.802 500 L CB -1.066 41.054 42.059 0.101 0.000 0.905 500 L HN 0.642 nan 8.230 nan 0.000 0.441 501 D N -0.671 119.728 120.400 -0.002 0.000 2.472 501 D HA -0.366 3.778 4.640 -0.825 0.000 0.194 501 D C 2.251 178.537 176.300 -0.023 0.000 1.023 501 D CA 2.639 56.616 54.000 -0.038 0.000 0.869 501 D CB -0.324 40.450 40.800 -0.044 0.000 0.997 501 D HN 0.425 nan 8.370 nan 0.000 0.463 502 K N -0.775 119.625 120.400 -0.000 0.000 2.127 502 K HA -0.239 3.586 4.320 -0.825 0.000 0.208 502 K C 2.232 178.844 176.600 0.020 0.000 1.047 502 K CA 1.551 57.845 56.287 0.011 0.000 0.927 502 K CB -0.142 32.373 32.500 0.024 0.000 0.716 502 K HN 0.323 nan 8.250 nan 0.000 0.450 503 M N 0.388 120.008 119.600 0.032 0.000 2.081 503 M HA -0.128 3.857 4.480 -0.825 0.000 0.261 503 M C 2.069 178.342 176.300 -0.044 0.000 1.075 503 M CA 1.349 56.678 55.300 0.048 0.000 1.133 503 M CB -0.304 32.380 32.600 0.140 0.000 1.330 503 M HN 0.083 nan 8.290 nan 0.000 0.414 504 L N 0.791 121.940 121.223 -0.124 0.000 2.450 504 L HA -0.236 3.609 4.340 -0.825 0.000 0.225 504 L C 2.419 179.241 176.870 -0.080 0.000 1.145 504 L CA 1.050 55.790 54.840 -0.168 0.000 0.801 504 L CB -1.005 40.978 42.059 -0.127 0.000 0.924 504 L HN 0.523 nan 8.230 nan 0.000 0.447 505 Q N -1.513 118.261 119.800 -0.043 0.000 2.451 505 Q HA -0.036 3.809 4.340 -0.825 0.000 0.206 505 Q C 1.178 177.179 176.000 0.002 0.000 0.947 505 Q CA 0.557 56.348 55.803 -0.020 0.000 0.937 505 Q CB -0.045 28.685 28.738 -0.013 0.000 1.025 505 Q HN 0.412 nan 8.270 nan 0.000 0.511 506 N N 0.775 119.481 118.700 0.009 0.000 2.236 506 N HA 0.079 4.324 4.740 -0.825 0.000 0.196 506 N C -0.489 175.053 175.510 0.053 0.000 1.114 506 N CA 0.240 53.313 53.050 0.040 0.000 0.859 506 N CB 1.700 40.223 38.487 0.060 0.000 0.982 506 N HN 0.194 nan 8.380 nan 0.000 0.493 507 V N 1.029 120.958 119.914 0.024 0.000 2.604 507 V HA 0.285 3.910 4.120 -0.825 0.000 0.305 507 V C -0.623 175.497 176.094 0.044 0.000 1.043 507 V CA -0.769 61.563 62.300 0.053 0.000 0.888 507 V CB 1.845 33.691 31.823 0.037 0.000 0.995 507 V HN 0.028 nan 8.190 nan 0.000 0.429 508 Q N 6.848 126.694 119.800 0.078 0.000 2.780 508 Q HA 0.253 4.097 4.340 -0.825 0.000 0.234 508 Q C -0.093 175.926 176.000 0.032 0.000 1.355 508 Q CA -0.061 55.771 55.803 0.049 0.000 0.919 508 Q CB 0.110 28.905 28.738 0.096 0.000 1.645 508 Q HN 0.655 nan 8.270 nan 0.000 0.568 509 M N 3.154 122.755 119.600 0.002 0.000 2.245 509 M HA 0.209 4.194 4.480 -0.825 0.000 0.330 509 M C -1.793 174.480 176.300 -0.046 0.000 1.098 509 M CA -1.825 53.469 55.300 -0.010 0.000 1.172 509 M CB -0.449 32.146 32.600 -0.008 0.000 1.467 509 M HN 0.295 nan 8.290 nan 0.000 0.454 510 P HA 0.207 nan 4.420 nan 0.000 0.279 510 P C -0.842 176.398 177.300 -0.100 0.000 1.282 510 P CA -0.378 62.663 63.100 -0.097 0.000 0.788 510 P CB 0.549 32.177 31.700 -0.120 0.000 1.139 511 S N -1.413 114.203 115.700 -0.141 0.000 2.607 511 S HA 0.612 4.586 4.470 -0.825 0.000 0.303 511 S C -0.580 173.930 174.600 -0.151 0.000 1.086 511 S CA -0.791 57.329 58.200 -0.133 0.000 0.995 511 S CB 1.965 65.069 63.200 -0.160 0.000 1.084 511 S HN 0.451 nan 8.310 nan 0.000 0.507 512 K N 0.537 120.877 120.400 -0.101 0.000 2.259 512 K HA 0.493 4.318 4.320 -0.825 0.000 0.249 512 K C -1.315 175.242 176.600 -0.071 0.000 0.942 512 K CA -0.660 55.578 56.287 -0.081 0.000 0.816 512 K CB 1.395 33.880 32.500 -0.026 0.000 1.155 512 K HN 0.742 nan 8.250 nan 0.000 0.428 513 K N 4.604 124.975 120.400 -0.048 0.000 2.507 513 K HA 0.279 4.104 4.320 -0.825 0.000 0.252 513 K C -1.867 174.778 176.600 0.076 0.000 0.943 513 K CA -0.783 55.498 56.287 -0.010 0.000 0.808 513 K CB 1.142 33.611 32.500 -0.052 0.000 1.142 513 K HN 0.396 nan 8.250 nan 0.000 0.426 514 L N 4.589 125.862 121.223 0.085 0.000 2.295 514 L HA 0.491 4.336 4.340 -0.825 0.000 0.281 514 L C -1.083 175.874 176.870 0.144 0.000 1.018 514 L CA 0.166 55.097 54.840 0.151 0.000 0.841 514 L CB 0.913 43.069 42.059 0.162 0.000 1.218 514 L HN 0.780 nan 8.230 nan 0.000 0.424 515 D N 3.164 123.517 120.400 -0.077 0.000 2.781 515 D HA 0.550 4.695 4.640 -0.825 0.000 0.295 515 D C -1.166 174.788 176.300 -0.577 0.000 1.143 515 D CA -0.083 53.746 54.000 -0.285 0.000 1.076 515 D CB 1.937 42.511 40.800 -0.377 0.000 1.444 515 D HN 0.207 nan 8.370 nan 0.000 0.567 516 F N -0.696 118.836 119.950 -0.696 0.000 2.869 516 F HA 0.683 4.714 4.527 -0.826 0.000 0.325 516 F C -1.246 174.453 175.800 -0.168 0.000 1.184 516 F CA -1.164 56.481 58.000 -0.592 0.000 0.951 516 F CB 0.871 39.245 39.000 -1.044 0.000 1.421 516 F HN 0.258 nan 8.300 nan 0.000 0.501 517 I N 0.179 120.919 120.570 0.282 0.000 2.569 517 I HA 0.576 4.251 4.170 -0.825 0.000 0.290 517 I C -1.618 174.720 176.117 0.368 0.000 1.088 517 I CA -0.927 60.537 61.300 0.273 0.000 1.047 517 I CB 2.203 40.384 38.000 0.301 0.000 1.237 517 I HN 0.653 nan 8.210 nan 0.000 0.421 518 I N 6.722 127.452 120.570 0.267 0.000 2.379 518 I HA 0.296 3.971 4.170 -0.825 0.000 0.290 518 I C -0.612 175.640 176.117 0.225 0.000 1.063 518 I CA -0.150 61.300 61.300 0.250 0.000 1.351 518 I CB 0.824 38.931 38.000 0.177 0.000 1.410 518 I HN 0.447 nan 8.210 nan 0.000 0.505 519 L N 7.345 128.762 121.223 0.323 0.000 2.349 519 L HA 0.418 4.263 4.340 -0.825 0.000 0.278 519 L C 0.148 177.160 176.870 0.237 0.000 0.996 519 L CA -0.636 54.343 54.840 0.233 0.000 0.825 519 L CB 1.282 43.428 42.059 0.147 0.000 1.243 519 L HN 0.589 nan 8.230 nan 0.000 0.412 520 N N 2.837 121.614 118.700 0.129 0.000 2.725 520 N HA -0.228 4.017 4.740 -0.825 0.000 0.249 520 N C 0.268 175.832 175.510 0.090 0.000 1.103 520 N CA 1.399 54.507 53.050 0.097 0.000 0.707 520 N CB -0.860 37.683 38.487 0.093 0.000 1.043 520 N HN 0.886 nan 8.380 nan 0.000 0.553 521 E N -3.783 116.470 120.200 0.089 0.000 3.801 521 E HA -0.212 3.642 4.350 -0.825 0.000 0.319 521 E C -0.705 175.924 176.600 0.048 0.000 0.784 521 E CA 1.455 57.891 56.400 0.061 0.000 1.183 521 E CB -1.245 28.477 29.700 0.037 0.000 1.601 521 E HN 0.451 nan 8.360 nan 0.000 0.441 522 T N 0.957 115.563 114.554 0.088 0.000 2.797 522 T HA 0.390 4.244 4.350 -0.825 0.000 0.279 522 T C -0.232 174.458 174.700 -0.017 0.000 0.991 522 T CA -0.849 61.239 62.100 -0.020 0.000 0.979 522 T CB 1.316 70.152 68.868 -0.053 0.000 0.943 522 T HN 0.176 nan 8.240 nan 0.000 0.444 523 K N 1.970 122.237 120.400 -0.220 0.000 2.143 523 K HA 0.649 4.474 4.320 -0.825 0.000 0.272 523 K C -1.286 175.057 176.600 -0.428 0.000 1.001 523 K CA -0.562 55.595 56.287 -0.217 0.000 0.915 523 K CB 0.725 32.842 32.500 -0.638 0.000 1.047 523 K HN 0.308 nan 8.250 nan 0.000 0.458 524 F N 1.500 121.450 119.950 -0.000 0.000 2.529 524 F HA 0.379 4.411 4.527 -0.826 0.000 0.320 524 F C -0.804 175.063 175.800 0.112 0.000 1.118 524 F CA -0.645 57.388 58.000 0.055 0.000 0.915 524 F CB 1.075 40.103 39.000 0.047 0.000 1.161 524 F HN 0.534 nan 8.300 nan 0.000 0.445 525 W N 3.147 124.548 121.300 0.169 0.000 2.332 525 W HA 0.565 4.730 4.660 -0.826 0.000 0.351 525 W C -0.616 176.113 176.519 0.350 0.000 1.195 525 W CA -0.602 56.880 57.345 0.228 0.000 1.334 525 W CB 0.490 30.019 29.460 0.115 0.000 1.206 525 W HN 0.434 nan 8.180 nan 0.000 0.637 526 Y N -0.971 119.705 120.300 0.625 0.000 2.670 526 Y HA 0.667 4.722 4.550 -0.825 0.000 0.334 526 Y C -1.316 174.829 175.900 0.408 0.000 1.185 526 Y CA -2.268 56.166 58.100 0.557 0.000 1.053 526 Y CB 0.947 39.849 38.460 0.737 0.000 1.298 526 Y HN 0.576 nan 8.280 nan 0.000 0.459 527 Q N 1.704 121.915 119.800 0.685 0.000 2.379 527 Q HA 0.768 4.613 4.340 -0.825 0.000 0.278 527 Q C -1.833 174.336 176.000 0.282 0.000 1.068 527 Q CA -1.108 54.945 55.803 0.416 0.000 0.816 527 Q CB 3.376 32.255 28.738 0.235 0.000 1.387 527 Q HN 0.802 nan 8.270 nan 0.000 0.413 528 M N 2.496 122.176 119.600 0.133 0.000 2.326 528 M HA 0.465 4.450 4.480 -0.825 0.000 0.306 528 M C -1.172 175.052 176.300 -0.126 0.000 1.054 528 M CA -0.989 54.274 55.300 -0.061 0.000 0.922 528 M CB 2.064 34.552 32.600 -0.185 0.000 1.632 528 M HN 0.608 nan 8.290 nan 0.000 0.436 529 I N 4.949 125.435 120.570 -0.141 0.000 2.301 529 I HA 0.341 4.016 4.170 -0.825 0.000 0.292 529 I C -0.162 175.797 176.117 -0.263 0.000 1.046 529 I CA -0.151 61.050 61.300 -0.166 0.000 1.282 529 I CB 0.048 37.972 38.000 -0.126 0.000 1.409 529 I HN 0.621 nan 8.210 nan 0.000 0.484 530 L N 8.064 129.078 121.223 -0.347 0.000 2.375 530 L HA 0.497 4.341 4.340 -0.825 0.000 0.268 530 L C -2.189 174.502 176.870 -0.298 0.000 1.058 530 L CA -1.708 52.825 54.840 -0.512 0.000 0.803 530 L CB 1.375 42.908 42.059 -0.877 0.000 1.212 530 L HN 0.234 nan 8.230 nan 0.000 0.451 531 P HA 0.282 nan 4.420 nan 0.000 0.277 531 P C -2.578 174.699 177.300 -0.039 0.000 1.271 531 P CA -1.322 61.740 63.100 -0.063 0.000 0.795 531 P CB 0.037 31.763 31.700 0.043 0.000 1.101 532 P HA 0.105 nan 4.420 nan 0.000 0.274 532 P C -0.179 177.071 177.300 -0.083 0.000 1.246 532 P CA 0.281 63.284 63.100 -0.161 0.000 0.795 532 P CB -0.089 31.507 31.700 -0.173 0.000 1.006 533 H N -1.852 117.261 119.070 0.071 0.000 2.932 533 H HA -0.232 3.829 4.556 -0.826 0.000 0.290 533 H C 0.171 175.561 175.328 0.102 0.000 1.108 533 H CA 0.176 56.268 56.048 0.074 0.000 1.172 533 H CB -2.214 27.585 29.762 0.062 0.000 1.325 533 H HN 0.398 nan 8.280 nan 0.000 0.354 534 F N 3.215 123.143 119.950 -0.037 0.000 2.473 534 F HA -0.013 4.019 4.527 -0.826 0.000 0.405 534 F C 0.614 176.409 175.800 -0.010 0.000 0.988 534 F CA 0.114 58.030 58.000 -0.141 0.000 1.096 534 F CB 0.302 39.099 39.000 -0.339 0.000 0.944 534 F HN 0.073 nan 8.300 nan 0.000 0.530 535 D N 7.000 127.207 120.400 -0.322 0.000 2.454 535 D HA 0.084 4.229 4.640 -0.825 0.000 0.225 535 D C 0.921 176.983 176.300 -0.395 0.000 1.081 535 D CA -0.529 53.332 54.000 -0.231 0.000 0.864 535 D CB 0.851 41.633 40.800 -0.030 0.000 1.040 535 D HN 0.685 nan 8.370 nan 0.000 0.517 536 K N 1.374 121.514 120.400 -0.434 0.000 2.442 536 K HA -0.133 3.692 4.320 -0.825 0.000 0.199 536 K C 0.999 177.594 176.600 -0.009 0.000 1.044 536 K CA 0.858 57.016 56.287 -0.215 0.000 0.941 536 K CB -0.227 32.284 32.500 0.019 0.000 0.759 536 K HN 0.234 nan 8.250 nan 0.000 0.472 537 S N -0.010 115.664 115.700 -0.044 0.000 2.650 537 S HA 0.099 4.074 4.470 -0.825 0.000 0.219 537 S C 0.140 174.709 174.600 -0.052 0.000 0.960 537 S CA -0.531 57.654 58.200 -0.025 0.000 0.925 537 S CB -0.057 63.123 63.200 -0.033 0.000 0.775 537 S HN 0.268 nan 8.310 nan 0.000 0.525 538 K N 0.436 120.795 120.400 -0.067 0.000 2.331 538 K HA 0.524 4.349 4.320 -0.825 0.000 0.238 538 K C -0.884 175.622 176.600 -0.158 0.000 1.058 538 K CA -1.131 55.038 56.287 -0.196 0.000 0.871 538 K CB 0.741 32.971 32.500 -0.449 0.000 1.292 538 K HN -0.115 nan 8.250 nan 0.000 0.470 539 K N 1.837 122.066 120.400 -0.284 0.000 2.449 539 K HA 0.300 4.125 4.320 -0.825 0.000 0.257 539 K C -1.219 175.220 176.600 -0.269 0.000 0.989 539 K CA -0.332 55.861 56.287 -0.157 0.000 0.916 539 K CB 0.645 33.068 32.500 -0.128 0.000 1.136 539 K HN 0.486 nan 8.250 nan 0.000 0.439 540 Y N 3.393 123.697 120.300 0.007 0.000 2.342 540 Y HA 0.254 4.308 4.550 -0.826 0.000 0.334 540 Y C -1.691 174.144 175.900 -0.109 0.000 1.067 540 Y CA -2.121 55.972 58.100 -0.011 0.000 1.128 540 Y CB 0.999 39.529 38.460 0.116 0.000 1.200 540 Y HN 0.420 nan 8.280 nan 0.000 0.464 541 P HA 0.183 nan 4.420 nan 0.000 0.274 541 P C -1.082 176.013 177.300 -0.341 0.000 1.237 541 P CA -0.285 62.536 63.100 -0.466 0.000 0.793 541 P CB 1.845 32.955 31.700 -0.984 0.000 0.977 542 L N 2.043 123.067 121.223 -0.332 0.000 2.401 542 L HA 0.593 4.438 4.340 -0.825 0.000 0.266 542 L C -1.542 175.418 176.870 0.149 0.000 0.991 542 L CA -1.285 53.513 54.840 -0.072 0.000 0.818 542 L CB 2.026 44.053 42.059 -0.053 0.000 1.321 542 L HN 0.174 nan 8.230 nan 0.000 0.413 543 L N 5.108 126.476 121.223 0.243 0.000 2.325 543 L HA 0.506 4.351 4.340 -0.825 0.000 0.281 543 L C -1.404 175.664 176.870 0.330 0.000 1.004 543 L CA -0.384 54.690 54.840 0.390 0.000 0.823 543 L CB 1.631 43.909 42.059 0.365 0.000 1.236 543 L HN 0.642 nan 8.230 nan 0.000 0.415 544 L N 5.021 126.489 121.223 0.408 0.000 2.278 544 L HA 0.410 4.255 4.340 -0.825 0.000 0.287 544 L C -0.352 176.721 176.870 0.337 0.000 1.072 544 L CA 0.343 55.404 54.840 0.368 0.000 0.819 544 L CB 0.523 42.855 42.059 0.456 0.000 1.176 544 L HN 0.648 nan 8.230 nan 0.000 0.435 545 D N 4.518 125.086 120.400 0.279 0.000 2.339 545 D HA 0.181 4.326 4.640 -0.825 0.000 0.241 545 D C -1.012 175.345 176.300 0.095 0.000 1.183 545 D CA 0.132 54.230 54.000 0.162 0.000 0.859 545 D CB 1.272 42.219 40.800 0.244 0.000 1.067 545 D HN 0.402 nan 8.370 nan 0.000 0.484 546 V N 5.541 125.434 119.914 -0.034 0.000 2.680 546 V HA 0.369 3.994 4.120 -0.825 0.000 0.309 546 V C -0.870 175.281 176.094 0.095 0.000 1.052 546 V CA -0.413 61.929 62.300 0.070 0.000 0.908 546 V CB 1.881 33.752 31.823 0.080 0.000 1.001 546 V HN 0.614 nan 8.190 nan 0.000 0.431 547 Y N 5.217 125.566 120.300 0.081 0.000 2.784 547 Y HA 0.497 4.551 4.550 -0.827 0.000 0.267 547 Y C 1.641 177.639 175.900 0.164 0.000 1.117 547 Y CA 0.988 59.158 58.100 0.116 0.000 1.231 547 Y CB 0.066 38.579 38.460 0.089 0.000 1.441 547 Y HN 1.059 nan 8.280 nan 0.000 0.469 548 A N 1.254 124.144 122.820 0.116 0.000 2.750 548 A HA -0.187 3.638 4.320 -0.825 0.000 0.298 548 A C 1.031 178.491 177.584 -0.206 0.000 1.500 548 A CA 1.149 53.222 52.037 0.060 0.000 0.891 548 A CB -2.205 16.884 19.000 0.149 0.000 0.972 548 A HN 0.812 nan 8.150 nan 0.000 0.531 549 G N -0.788 107.678 108.800 -0.557 0.000 2.588 549 G HA2 0.558 4.023 3.960 -0.825 0.000 0.281 549 G HA3 0.558 4.023 3.960 -0.825 0.000 0.281 549 G C -2.153 172.496 174.900 -0.420 0.000 1.236 549 G CA -0.895 43.530 45.100 -1.125 0.000 0.969 549 G HN 0.371 nan 8.290 nan 0.000 0.504 550 P HA 0.110 nan 4.420 nan 0.000 0.276 550 P C 0.443 177.631 177.300 -0.187 0.000 1.243 550 P CA 0.101 62.949 63.100 -0.420 0.000 0.768 550 P CB 0.991 32.011 31.700 -1.133 0.000 0.856 551 C N 2.367 121.617 119.300 -0.083 0.000 4.456 551 C HA -0.140 3.824 4.460 -0.825 0.000 0.288 551 C C 1.076 176.157 174.990 0.152 0.000 1.374 551 C CA 1.162 60.124 59.018 -0.092 0.000 1.956 551 C CB -2.640 24.885 27.740 -0.358 0.000 1.255 551 C HN 0.817 nan 8.230 nan 0.000 0.788 552 S N -0.127 115.705 115.700 0.219 0.000 2.707 552 S HA 0.677 4.651 4.470 -0.825 0.000 0.276 552 S C -0.604 174.188 174.600 0.319 0.000 1.179 552 S CA 0.002 58.404 58.200 0.336 0.000 0.992 552 S CB 1.693 65.138 63.200 0.409 0.000 1.030 552 S HN 0.834 nan 8.310 nan 0.000 0.554 553 Q N -0.229 119.755 119.800 0.306 0.000 2.487 553 Q HA 0.267 4.112 4.340 -0.825 0.000 0.234 553 Q C -1.000 175.105 176.000 0.176 0.000 0.828 553 Q CA -0.518 55.439 55.803 0.257 0.000 0.907 553 Q CB 1.023 29.951 28.738 0.317 0.000 1.462 553 Q HN 0.669 nan 8.270 nan 0.000 0.442 554 K N 0.557 121.064 120.400 0.178 0.000 2.354 554 K HA 0.319 4.144 4.320 -0.825 0.000 0.194 554 K C -0.087 176.602 176.600 0.149 0.000 1.038 554 K CA 0.433 56.814 56.287 0.156 0.000 1.052 554 K CB 1.294 33.915 32.500 0.203 0.000 0.861 554 K HN 0.490 nan 8.250 nan 0.000 0.535 555 A N 2.828 125.746 122.820 0.164 0.000 2.412 555 A HA 0.387 4.212 4.320 -0.825 0.000 0.334 555 A C -0.664 176.968 177.584 0.080 0.000 1.419 555 A CA -0.547 51.595 52.037 0.175 0.000 0.930 555 A CB -0.054 19.123 19.000 0.294 0.000 1.149 555 A HN 0.233 nan 8.150 nan 0.000 0.515 556 D N -0.114 120.306 120.400 0.034 0.000 2.837 556 D HA 0.433 4.578 4.640 -0.825 0.000 0.294 556 D C 0.568 176.849 176.300 -0.031 0.000 1.158 556 D CA 0.336 54.327 54.000 -0.015 0.000 1.073 556 D CB 0.148 40.924 40.800 -0.040 0.000 1.419 556 D HN 0.117 nan 8.370 nan 0.000 0.584 557 T N -2.238 112.295 114.554 -0.035 0.000 3.145 557 T HA 0.338 4.193 4.350 -0.825 0.000 0.255 557 T C 0.578 175.212 174.700 -0.110 0.000 1.039 557 T CA -0.372 61.712 62.100 -0.027 0.000 0.928 557 T CB -0.598 68.302 68.868 0.054 0.000 1.029 557 T HN 0.237 nan 8.240 nan 0.000 0.554 558 V N 2.079 121.827 119.914 -0.276 0.000 2.881 558 V HA 0.416 4.041 4.120 -0.825 0.000 0.303 558 V C -0.014 176.040 176.094 -0.067 0.000 1.070 558 V CA -1.002 61.134 62.300 -0.274 0.000 1.074 558 V CB 0.694 32.229 31.823 -0.480 0.000 1.012 558 V HN 0.512 nan 8.190 nan 0.000 0.482 559 F N 4.663 124.514 119.950 -0.165 0.000 2.404 559 F HA 0.650 4.683 4.527 -0.824 0.000 0.339 559 F C 0.297 176.041 175.800 -0.094 0.000 1.105 559 F CA -0.472 57.458 58.000 -0.116 0.000 1.087 559 F CB 0.613 39.553 39.000 -0.100 0.000 1.143 559 F HN 0.391 nan 8.300 nan 0.000 0.491 560 R N 6.463 126.456 120.500 -0.844 0.000 2.725 560 R HA 0.547 4.392 4.340 -0.825 0.000 0.277 560 R C -1.725 174.120 176.300 -0.760 0.000 0.987 560 R CA -1.086 54.639 56.100 -0.624 0.000 0.901 560 R CB 2.272 32.395 30.300 -0.294 0.000 1.207 560 R HN 0.654 nan 8.270 nan 0.000 0.463 561 L N 3.693 124.669 121.223 -0.413 0.000 2.337 561 L HA 0.371 4.216 4.340 -0.825 0.000 0.269 561 L C -0.823 176.041 176.870 -0.010 0.000 1.018 561 L CA -0.695 53.979 54.840 -0.277 0.000 0.876 561 L CB 0.742 42.782 42.059 -0.031 0.000 1.236 561 L HN 0.766 nan 8.230 nan 0.000 0.436 562 N N -0.016 118.604 118.700 -0.134 0.000 2.902 562 N HA 0.191 4.435 4.740 -0.825 0.000 0.268 562 N C 0.265 175.519 175.510 -0.426 0.000 1.450 562 N CA -0.928 52.017 53.050 -0.176 0.000 0.819 562 N CB 0.404 38.877 38.487 -0.024 0.000 1.540 562 N HN 0.274 nan 8.380 nan 0.000 0.545 563 W N 0.730 121.490 121.300 -0.899 0.000 2.305 563 W HA -0.121 4.047 4.660 -0.819 0.000 0.308 563 W C 1.946 178.439 176.519 -0.043 0.000 1.226 563 W CA 3.161 60.206 57.345 -0.500 0.000 1.253 563 W CB -0.980 28.436 29.460 -0.074 0.000 1.146 563 W HN 0.737 nan 8.180 nan 0.000 0.507 564 A N -0.874 121.915 122.820 -0.052 0.000 1.972 564 A HA -0.182 3.643 4.320 -0.825 0.000 0.219 564 A C 1.916 179.383 177.584 -0.195 0.000 1.169 564 A CA 2.303 54.230 52.037 -0.184 0.000 0.635 564 A CB -1.273 17.707 19.000 -0.034 0.000 0.810 564 A HN 0.300 nan 8.150 nan 0.000 0.446 565 T N -1.238 113.206 114.554 -0.183 0.000 2.803 565 T HA -0.183 3.672 4.350 -0.825 0.000 0.269 565 T C 1.736 176.426 174.700 -0.017 0.000 1.052 565 T CA 1.709 63.651 62.100 -0.262 0.000 1.136 565 T CB -0.384 68.087 68.868 -0.662 0.000 0.864 565 T HN 0.713 nan 8.240 nan 0.000 0.467 566 Y N 1.780 122.121 120.300 0.069 0.000 2.176 566 Y HA 0.151 4.205 4.550 -0.826 0.000 0.291 566 Y C 1.914 177.799 175.900 -0.026 0.000 1.122 566 Y CA 0.507 58.721 58.100 0.190 0.000 1.128 566 Y CB -0.835 37.734 38.460 0.182 0.000 1.005 566 Y HN 0.072 nan 8.280 nan 0.000 0.509 567 L N 0.642 121.330 121.223 -0.892 0.000 1.990 567 L HA -0.298 3.547 4.340 -0.825 0.000 0.213 567 L C 2.855 179.461 176.870 -0.440 0.000 1.072 567 L CA 1.713 56.016 54.840 -0.895 0.000 0.755 567 L CB -1.183 40.416 42.059 -0.766 0.000 0.889 567 L HN 0.418 nan 8.230 nan 0.000 0.432 568 A N -0.987 121.665 122.820 -0.280 0.000 1.845 568 A HA -0.254 3.570 4.320 -0.825 0.000 0.215 568 A C 2.537 180.069 177.584 -0.087 0.000 1.195 568 A CA 2.206 54.149 52.037 -0.158 0.000 0.616 568 A CB -0.921 17.988 19.000 -0.151 0.000 0.832 568 A HN 0.397 nan 8.150 nan 0.000 0.443 569 S N -1.266 114.407 115.700 -0.045 0.000 2.368 569 S HA -0.124 3.851 4.470 -0.825 0.000 0.225 569 S C 1.857 176.508 174.600 0.086 0.000 1.030 569 S CA 2.307 60.540 58.200 0.054 0.000 0.999 569 S CB -0.428 62.865 63.200 0.156 0.000 0.844 569 S HN 0.629 nan 8.310 nan 0.000 0.459 570 T N 0.481 115.072 114.554 0.062 0.000 3.034 570 T HA 0.252 4.106 4.350 -0.825 0.000 0.248 570 T C 1.235 175.949 174.700 0.025 0.000 1.040 570 T CA 0.186 62.350 62.100 0.107 0.000 1.107 570 T CB 0.019 69.055 68.868 0.281 0.000 0.932 570 T HN 0.266 nan 8.240 nan 0.000 0.474 571 E N 1.403 121.526 120.200 -0.128 0.000 2.481 571 E HA 0.189 4.044 4.350 -0.825 0.000 0.198 571 E C -0.158 176.432 176.600 -0.016 0.000 1.027 571 E CA -0.157 56.188 56.400 -0.092 0.000 0.900 571 E CB -0.326 29.237 29.700 -0.229 0.000 0.993 571 E HN 0.542 nan 8.360 nan 0.000 0.482 572 N N 0.835 119.539 118.700 0.007 0.000 2.696 572 N HA -0.194 4.051 4.740 -0.825 0.000 0.256 572 N C -1.000 174.577 175.510 0.112 0.000 1.031 572 N CA 0.222 53.337 53.050 0.107 0.000 0.730 572 N CB -1.039 37.552 38.487 0.173 0.000 0.894 572 N HN 0.186 nan 8.380 nan 0.000 0.544 573 I N 1.001 121.579 120.570 0.013 0.000 2.465 573 I HA 0.386 4.061 4.170 -0.825 0.000 0.291 573 I C 0.324 176.419 176.117 -0.036 0.000 1.014 573 I CA -0.855 60.451 61.300 0.011 0.000 1.093 573 I CB 1.677 39.688 38.000 0.019 0.000 1.267 573 I HN 0.039 nan 8.210 nan 0.000 0.431 574 I N 6.370 126.925 120.570 -0.025 0.000 2.416 574 I HA 0.195 3.869 4.170 -0.825 0.000 0.288 574 I C -0.333 175.747 176.117 -0.062 0.000 1.051 574 I CA -0.441 60.802 61.300 -0.096 0.000 1.375 574 I CB 1.050 38.990 38.000 -0.100 0.000 1.407 574 I HN 0.196 nan 8.210 nan 0.000 0.516 575 V N 6.808 126.678 119.914 -0.074 0.000 2.370 575 V HA 0.594 4.218 4.120 -0.825 0.000 0.283 575 V C 0.525 176.613 176.094 -0.010 0.000 1.023 575 V CA -0.298 62.005 62.300 0.005 0.000 0.857 575 V CB 1.160 32.988 31.823 0.009 0.000 0.985 575 V HN 0.934 nan 8.190 nan 0.000 0.443 576 A N 3.937 126.772 122.820 0.026 0.000 3.444 576 A HA 0.993 4.818 4.320 -0.825 0.000 0.189 576 A C 0.052 177.746 177.584 0.184 0.000 1.542 576 A CA -0.562 51.486 52.037 0.017 0.000 0.867 576 A CB 1.553 20.448 19.000 -0.176 0.000 1.712 576 A HN 0.813 nan 8.150 nan 0.000 0.556 577 S N -2.471 113.413 115.700 0.308 0.000 2.751 577 S HA 0.441 4.415 4.470 -0.825 0.000 0.289 577 S C -1.991 172.949 174.600 0.568 0.000 0.965 577 S CA -0.436 57.988 58.200 0.374 0.000 0.855 577 S CB 0.511 63.879 63.200 0.280 0.000 1.068 577 S HN 1.604 nan 8.310 nan 0.000 0.462 578 F N 2.353 122.508 119.950 0.342 0.000 2.604 578 F HA 0.507 4.539 4.527 -0.826 0.000 0.316 578 F C -1.866 174.134 175.800 0.333 0.000 1.136 578 F CA -0.509 57.724 58.000 0.390 0.000 0.989 578 F CB 1.385 40.596 39.000 0.352 0.000 1.258 578 F HN 0.440 nan 8.300 nan 0.000 0.451 579 D N 4.548 124.816 120.400 -0.221 0.000 2.427 579 D HA 0.480 4.625 4.640 -0.825 0.000 0.226 579 D C 0.137 176.165 176.300 -0.454 0.000 1.076 579 D CA 0.108 54.018 54.000 -0.150 0.000 0.849 579 D CB 1.747 42.588 40.800 0.068 0.000 1.052 579 D HN 0.808 nan 8.370 nan 0.000 0.515 580 G N 1.122 109.738 108.800 -0.307 0.000 3.075 580 G HA2 0.347 3.812 3.960 -0.825 0.000 0.253 580 G HA3 0.347 3.812 3.960 -0.825 0.000 0.253 580 G C -0.130 174.911 174.900 0.235 0.000 1.353 580 G CA -0.887 44.168 45.100 -0.075 0.000 1.051 580 G HN 0.310 nan 8.290 nan 0.000 0.553 581 R N -0.463 120.175 120.500 0.230 0.000 2.474 581 R HA 0.218 4.063 4.340 -0.825 0.000 0.290 581 R C 1.303 177.719 176.300 0.194 0.000 0.918 581 R CA 1.836 58.092 56.100 0.261 0.000 1.130 581 R CB -0.080 30.303 30.300 0.139 0.000 0.881 581 R HN 1.169 nan 8.270 nan 0.000 0.416 582 G N 1.336 110.228 108.800 0.154 0.000 2.697 582 G HA2 -0.298 3.167 3.960 -0.825 0.000 0.200 582 G HA3 -0.298 3.167 3.960 -0.825 0.000 0.200 582 G C 0.067 175.003 174.900 0.061 0.000 1.106 582 G CA -0.108 45.054 45.100 0.105 0.000 0.748 582 G HN 0.726 nan 8.290 nan 0.000 0.503 583 S N 0.787 116.535 115.700 0.080 0.000 2.572 583 S HA 0.508 4.483 4.470 -0.825 0.000 0.262 583 S C 0.889 175.482 174.600 -0.011 0.000 1.375 583 S CA 0.787 59.028 58.200 0.067 0.000 0.996 583 S CB 1.204 64.467 63.200 0.104 0.000 0.892 583 S HN 1.837 nan 8.310 nan 0.000 0.562 584 G N -1.408 107.359 108.800 -0.055 0.000 3.016 584 G HA2 0.527 3.992 3.960 -0.825 0.000 0.270 584 G HA3 0.527 3.992 3.960 -0.825 0.000 0.270 584 G C -1.047 173.728 174.900 -0.208 0.000 1.352 584 G CA -0.997 43.928 45.100 -0.292 0.000 1.060 584 G HN 0.891 nan 8.290 nan 0.000 0.538 585 Y N -1.905 118.372 120.300 -0.039 0.000 4.668 585 Y HA -0.213 3.842 4.550 -0.826 0.000 0.234 585 Y C 1.307 177.158 175.900 -0.080 0.000 1.056 585 Y CA 1.117 59.194 58.100 -0.038 0.000 2.025 585 Y CB -2.183 36.278 38.460 0.001 0.000 1.613 585 Y HN 0.531 nan 8.280 nan 0.000 0.653 586 Q N -0.412 119.321 119.800 -0.110 0.000 2.023 586 Q HA 0.501 4.346 4.340 -0.825 0.000 0.211 586 Q C 0.817 176.508 176.000 -0.514 0.000 0.787 586 Q CA 0.167 55.859 55.803 -0.185 0.000 1.035 586 Q CB 1.758 30.422 28.738 -0.124 0.000 1.221 586 Q HN 0.601 nan 8.270 nan 0.000 0.443 587 G N 0.844 109.248 108.800 -0.661 0.000 2.629 587 G HA2 -0.170 3.295 3.960 -0.825 0.000 0.686 587 G HA3 -0.170 3.295 3.960 -0.825 0.000 0.686 587 G C -0.576 173.956 174.900 -0.614 0.000 1.232 587 G CA -0.541 44.005 45.100 -0.923 0.000 0.803 587 G HN 0.074 nan 8.290 nan 0.000 0.638 588 D N 0.004 120.030 120.400 -0.624 0.000 2.224 588 D HA -0.028 4.117 4.640 -0.825 0.000 0.205 588 D C 2.269 178.310 176.300 -0.432 0.000 0.965 588 D CA 1.363 54.948 54.000 -0.691 0.000 0.852 588 D CB 0.031 40.328 40.800 -0.840 0.000 0.947 588 D HN 0.541 nan 8.370 nan 0.000 0.494 589 K N 0.834 121.041 120.400 -0.322 0.000 2.113 589 K HA -0.108 3.716 4.320 -0.825 0.000 0.208 589 K C 1.767 178.284 176.600 -0.139 0.000 1.047 589 K CA 1.115 57.289 56.287 -0.188 0.000 0.928 589 K CB -0.254 32.151 32.500 -0.158 0.000 0.716 589 K HN 0.164 nan 8.250 nan 0.000 0.446 590 I N -0.431 120.038 120.570 -0.169 0.000 2.364 590 I HA -0.096 3.579 4.170 -0.825 0.000 0.241 590 I C 2.549 178.644 176.117 -0.037 0.000 1.082 590 I CA 0.990 62.246 61.300 -0.073 0.000 1.401 590 I CB -0.247 37.687 38.000 -0.111 0.000 1.126 590 I HN 0.223 nan 8.210 nan 0.000 0.429 591 M N 0.232 119.764 119.600 -0.114 0.000 2.202 591 M HA -0.250 3.735 4.480 -0.825 0.000 0.262 591 M C 1.926 178.285 176.300 0.100 0.000 1.063 591 M CA 2.036 57.313 55.300 -0.038 0.000 1.097 591 M CB -0.320 32.187 32.600 -0.156 0.000 1.382 591 M HN 0.279 nan 8.290 nan 0.000 0.413 592 H N -0.988 117.958 119.070 -0.206 0.000 2.553 592 H HA 0.196 4.257 4.556 -0.825 0.000 0.265 592 H C 1.972 177.274 175.328 -0.043 0.000 0.964 592 H CA 0.223 56.138 56.048 -0.221 0.000 1.156 592 H CB 0.255 29.807 29.762 -0.351 0.000 1.411 592 H HN 0.555 nan 8.280 nan 0.000 0.558 593 A N 1.739 124.611 122.820 0.088 0.000 2.042 593 A HA -0.180 3.645 4.320 -0.825 0.000 0.222 593 A C 2.015 179.707 177.584 0.180 0.000 1.167 593 A CA 1.469 53.536 52.037 0.050 0.000 0.649 593 A CB -0.798 18.198 19.000 -0.006 0.000 0.809 593 A HN 0.583 nan 8.150 nan 0.000 0.457 594 I N -3.570 117.134 120.570 0.224 0.000 3.914 594 I HA 0.211 3.885 4.170 -0.825 0.000 0.333 594 I C 0.267 176.494 176.117 0.182 0.000 1.449 594 I CA -0.509 60.941 61.300 0.249 0.000 1.135 594 I CB -0.549 37.569 38.000 0.197 0.000 1.073 594 I HN 0.219 nan 8.210 nan 0.000 0.401 595 N N 2.818 121.633 118.700 0.192 0.000 2.447 595 N HA -0.004 4.241 4.740 -0.825 0.000 0.263 595 N C 0.280 175.830 175.510 0.067 0.000 1.226 595 N CA 0.176 53.338 53.050 0.188 0.000 0.906 595 N CB 0.339 38.869 38.487 0.072 0.000 1.060 595 N HN 0.410 nan 8.380 nan 0.000 0.468 596 R N 0.413 120.930 120.500 0.028 0.000 3.862 596 R HA -0.165 3.679 4.340 -0.825 0.000 0.470 596 R C -0.275 175.917 176.300 -0.180 0.000 0.879 596 R CA 0.987 57.052 56.100 -0.059 0.000 1.508 596 R CB -0.870 29.400 30.300 -0.050 0.000 2.170 596 R HN 0.556 nan 8.270 nan 0.000 0.496 597 R N 1.279 121.671 120.500 -0.179 0.000 2.997 597 R HA 0.373 4.217 4.340 -0.825 0.000 0.358 597 R C -0.125 176.205 176.300 0.050 0.000 1.191 597 R CA -0.338 55.519 56.100 -0.405 0.000 1.113 597 R CB 0.111 30.210 30.300 -0.335 0.000 1.433 597 R HN 0.161 nan 8.270 nan 0.000 0.584 598 L N -0.255 121.091 121.223 0.205 0.000 2.483 598 L HA 0.128 3.973 4.340 -0.825 0.000 0.275 598 L C 1.280 178.400 176.870 0.417 0.000 1.220 598 L CA 0.898 55.850 54.840 0.186 0.000 0.833 598 L CB 0.356 42.298 42.059 -0.194 0.000 1.102 598 L HN 0.718 nan 8.230 nan 0.000 0.490 599 G N 1.021 110.079 108.800 0.430 0.000 2.176 599 G HA2 -0.280 3.184 3.960 -0.825 0.000 0.252 599 G HA3 -0.280 3.184 3.960 -0.825 0.000 0.252 599 G C 0.379 175.368 174.900 0.148 0.000 1.024 599 G CA 0.561 45.871 45.100 0.351 0.000 0.755 599 G HN 0.860 nan 8.290 nan 0.000 0.507 600 T N -3.597 110.998 114.554 0.068 0.000 1.850 600 T HA 0.514 4.369 4.350 -0.825 0.000 0.176 600 T C 1.537 176.168 174.700 -0.114 0.000 0.702 600 T CA 0.674 62.684 62.100 -0.151 0.000 1.184 600 T CB -0.038 68.544 68.868 -0.477 0.000 3.221 600 T HN 0.222 nan 8.240 nan 0.000 0.405 601 F N 3.487 123.473 119.950 0.061 0.000 2.106 601 F HA -0.124 3.908 4.527 -0.825 0.000 0.299 601 F C 2.745 178.583 175.800 0.064 0.000 1.082 601 F CA 1.817 59.846 58.000 0.047 0.000 1.244 601 F CB -0.791 38.234 39.000 0.042 0.000 0.997 601 F HN 0.589 nan 8.300 nan 0.000 0.486 602 E N 0.788 121.142 120.200 0.258 0.000 2.268 602 E HA -0.107 3.748 4.350 -0.825 0.000 0.195 602 E C 2.014 178.716 176.600 0.170 0.000 0.995 602 E CA 1.311 57.840 56.400 0.215 0.000 0.836 602 E CB -0.857 28.971 29.700 0.212 0.000 0.763 602 E HN 0.332 nan 8.360 nan 0.000 0.491 603 V N 1.663 121.643 119.914 0.110 0.000 2.283 603 V HA -0.175 3.449 4.120 -0.825 0.000 0.239 603 V C 2.309 178.426 176.094 0.038 0.000 1.035 603 V CA 1.856 64.173 62.300 0.029 0.000 1.018 603 V CB -0.658 31.139 31.823 -0.045 0.000 0.658 603 V HN 0.176 nan 8.190 nan 0.000 0.459 604 E N 0.411 120.638 120.200 0.045 0.000 2.171 604 E HA -0.283 3.572 4.350 -0.825 0.000 0.197 604 E C 1.767 178.398 176.600 0.052 0.000 0.997 604 E CA 1.742 58.171 56.400 0.048 0.000 0.810 604 E CB -0.189 29.556 29.700 0.076 0.000 0.738 604 E HN 0.617 nan 8.360 nan 0.000 0.467 605 D N -0.234 120.226 120.400 0.100 0.000 2.234 605 D HA -0.089 4.056 4.640 -0.825 0.000 0.205 605 D C 1.905 178.253 176.300 0.080 0.000 0.962 605 D CA 0.517 54.580 54.000 0.106 0.000 0.855 605 D CB -0.004 40.916 40.800 0.201 0.000 0.951 605 D HN 0.019 nan 8.370 nan 0.000 0.500 606 Q N 0.330 120.208 119.800 0.131 0.000 2.046 606 Q HA -0.040 3.805 4.340 -0.825 0.000 0.200 606 Q C 2.474 178.484 176.000 0.016 0.000 0.975 606 Q CA 0.626 56.495 55.803 0.110 0.000 0.836 606 Q CB -0.356 28.452 28.738 0.117 0.000 0.896 606 Q HN 0.393 nan 8.270 nan 0.000 0.428 607 I N 0.846 121.449 120.570 0.056 0.000 2.091 607 I HA -0.323 3.351 4.170 -0.825 0.000 0.239 607 I C 2.387 178.476 176.117 -0.046 0.000 1.061 607 I CA 1.504 62.878 61.300 0.124 0.000 1.317 607 I CB -0.431 37.623 38.000 0.091 0.000 1.031 607 I HN 0.218 nan 8.210 nan 0.000 0.401 608 E N 1.492 121.610 120.200 -0.136 0.000 2.068 608 E HA -0.293 3.562 4.350 -0.825 0.000 0.207 608 E C 2.073 178.412 176.600 -0.436 0.000 1.032 608 E CA 2.375 58.633 56.400 -0.237 0.000 0.839 608 E CB -0.458 29.112 29.700 -0.216 0.000 0.758 608 E HN 0.448 nan 8.360 nan 0.000 0.457 609 A N 0.715 123.091 122.820 -0.740 0.000 1.908 609 A HA -0.100 3.725 4.320 -0.825 0.000 0.218 609 A C 2.429 179.326 177.584 -1.146 0.000 1.181 609 A CA 2.744 54.055 52.037 -1.209 0.000 0.627 609 A CB -1.185 16.758 19.000 -1.762 0.000 0.818 609 A HN 0.434 nan 8.150 nan 0.000 0.445 610 A N -0.308 122.223 122.820 -0.481 0.000 1.829 610 A HA -0.214 3.611 4.320 -0.825 0.000 0.216 610 A C 2.190 179.639 177.584 -0.226 0.000 1.207 610 A CA 2.076 54.037 52.037 -0.126 0.000 0.622 610 A CB -0.841 18.154 19.000 -0.008 0.000 0.846 610 A HN 0.548 nan 8.150 nan 0.000 0.447 611 R N -0.629 119.733 120.500 -0.229 0.000 2.196 611 R HA -0.301 3.544 4.340 -0.825 0.000 0.244 611 R C 2.506 178.686 176.300 -0.201 0.000 1.121 611 R CA 2.547 58.529 56.100 -0.195 0.000 0.930 611 R CB -0.549 29.656 30.300 -0.159 0.000 0.890 611 R HN 0.754 nan 8.270 nan 0.000 0.435 612 Q N -0.937 118.692 119.800 -0.284 0.000 2.096 612 Q HA -0.227 3.618 4.340 -0.825 0.000 0.208 612 Q C 2.170 178.063 176.000 -0.177 0.000 0.993 612 Q CA 2.018 57.666 55.803 -0.259 0.000 0.862 612 Q CB -0.306 28.221 28.738 -0.351 0.000 0.915 612 Q HN 0.342 nan 8.270 nan 0.000 0.416 613 F N 0.863 120.688 119.950 -0.208 0.000 2.075 613 F HA -0.212 3.819 4.527 -0.826 0.000 0.297 613 F C 2.801 178.458 175.800 -0.238 0.000 1.113 613 F CA 1.257 59.121 58.000 -0.227 0.000 1.218 613 F CB -1.435 37.443 39.000 -0.204 0.000 0.984 613 F HN 0.040 nan 8.300 nan 0.000 0.472 614 S N -0.202 115.496 115.700 -0.002 0.000 2.434 614 S HA -0.279 3.695 4.470 -0.825 0.000 0.243 614 S C 1.832 176.361 174.600 -0.119 0.000 1.045 614 S CA 1.893 60.036 58.200 -0.095 0.000 1.019 614 S CB -0.379 62.738 63.200 -0.138 0.000 0.811 614 S HN 0.511 nan 8.310 nan 0.000 0.485 615 K N -0.282 120.045 120.400 -0.121 0.000 2.334 615 K HA 0.240 4.064 4.320 -0.825 0.000 0.195 615 K C 0.518 177.007 176.600 -0.185 0.000 1.045 615 K CA -0.017 56.191 56.287 -0.131 0.000 1.004 615 K CB -0.029 32.409 32.500 -0.104 0.000 0.837 615 K HN 0.447 nan 8.250 nan 0.000 0.510 616 M N 1.265 120.710 119.600 -0.259 0.000 2.261 616 M HA -0.057 3.928 4.480 -0.825 0.000 0.350 616 M C 1.507 177.495 176.300 -0.519 0.000 1.343 616 M CA 0.350 55.379 55.300 -0.452 0.000 1.003 616 M CB 0.274 32.376 32.600 -0.829 0.000 1.848 616 M HN 0.276 nan 8.290 nan 0.000 0.456 617 G N 3.306 111.906 108.800 -0.333 0.000 2.517 617 G HA2 -0.237 3.227 3.960 -0.825 0.000 0.222 617 G HA3 -0.237 3.227 3.960 -0.825 0.000 0.222 617 G C 0.834 175.656 174.900 -0.129 0.000 1.109 617 G CA 0.857 45.850 45.100 -0.179 0.000 0.746 617 G HN 0.854 nan 8.290 nan 0.000 0.576 618 F N 0.065 120.069 119.950 0.090 0.000 2.797 618 F HA 0.556 4.587 4.527 -0.826 0.000 0.302 618 F C 0.042 175.959 175.800 0.195 0.000 1.130 618 F CA -1.417 56.680 58.000 0.161 0.000 1.387 618 F CB -0.477 38.681 39.000 0.263 0.000 1.107 618 F HN -0.128 nan 8.300 nan 0.000 0.577 619 V N 1.078 120.959 119.914 -0.055 0.000 2.581 619 V HA 0.232 3.857 4.120 -0.825 0.000 0.303 619 V C -0.699 175.361 176.094 -0.056 0.000 1.041 619 V CA -0.924 61.386 62.300 0.016 0.000 0.907 619 V CB 1.759 33.526 31.823 -0.095 0.000 0.994 619 V HN 0.020 nan 8.190 nan 0.000 0.442 620 D N 2.774 123.135 120.400 -0.065 0.000 2.494 620 D HA 0.092 4.237 4.640 -0.825 0.000 0.217 620 D C 1.314 177.542 176.300 -0.120 0.000 1.153 620 D CA -0.287 53.650 54.000 -0.105 0.000 0.954 620 D CB 0.098 40.817 40.800 -0.135 0.000 1.034 620 D HN 0.748 nan 8.370 nan 0.000 0.518 621 N N 1.938 120.573 118.700 -0.108 0.000 2.659 621 N HA -0.176 4.069 4.740 -0.825 0.000 0.194 621 N C 0.665 176.118 175.510 -0.095 0.000 1.140 621 N CA 0.464 53.446 53.050 -0.112 0.000 0.936 621 N CB 0.113 38.535 38.487 -0.109 0.000 0.970 621 N HN 0.204 nan 8.380 nan 0.000 0.449 622 K N -0.015 120.336 120.400 -0.081 0.000 2.373 622 K HA 0.203 4.028 4.320 -0.825 0.000 0.202 622 K C -0.161 176.423 176.600 -0.027 0.000 1.025 622 K CA -0.046 56.214 56.287 -0.046 0.000 1.115 622 K CB 0.608 33.085 32.500 -0.038 0.000 0.858 622 K HN 0.175 nan 8.250 nan 0.000 0.525 623 R N 1.255 121.705 120.500 -0.084 0.000 2.684 623 R HA 0.337 4.182 4.340 -0.825 0.000 0.252 623 R C -1.149 175.033 176.300 -0.197 0.000 1.628 623 R CA -0.128 55.889 56.100 -0.139 0.000 1.622 623 R CB 0.617 30.673 30.300 -0.406 0.000 1.418 623 R HN -0.010 nan 8.270 nan 0.000 0.697 624 I N 0.926 121.536 120.570 0.065 0.000 2.418 624 I HA 0.634 4.309 4.170 -0.825 0.000 0.287 624 I C 0.015 176.359 176.117 0.379 0.000 1.008 624 I CA -0.846 60.514 61.300 0.099 0.000 1.104 624 I CB 1.923 39.820 38.000 -0.173 0.000 1.264 624 I HN 0.305 nan 8.210 nan 0.000 0.438 625 A N 7.006 130.191 122.820 0.607 0.000 2.347 625 A HA 0.959 4.784 4.320 -0.825 0.000 0.301 625 A C -0.899 177.087 177.584 0.670 0.000 1.163 625 A CA -0.739 51.660 52.037 0.603 0.000 0.860 625 A CB 2.085 21.332 19.000 0.411 0.000 1.367 625 A HN 0.753 nan 8.150 nan 0.000 0.461 626 I N 0.390 121.275 120.570 0.524 0.000 2.715 626 I HA 0.484 4.159 4.170 -0.825 0.000 0.288 626 I C -1.885 174.473 176.117 0.402 0.000 1.371 626 I CA -0.564 60.965 61.300 0.382 0.000 1.056 626 I CB 1.124 39.095 38.000 -0.050 0.000 1.339 626 I HN 0.957 nan 8.210 nan 0.000 0.425 627 W N 7.168 128.600 121.300 0.220 0.000 2.992 627 W HA 0.935 5.097 4.660 -0.830 0.000 0.342 627 W C -1.073 175.577 176.519 0.219 0.000 1.176 627 W CA -1.178 56.295 57.345 0.213 0.000 1.118 627 W CB 1.227 30.852 29.460 0.275 0.000 1.457 627 W HN 0.754 nan 8.180 nan 0.000 0.573 628 G N -0.117 108.707 108.800 0.040 0.000 2.601 628 G HA2 0.472 3.936 3.960 -0.825 0.000 0.291 628 G HA3 0.472 3.936 3.960 -0.825 0.000 0.291 628 G C -2.766 172.154 174.900 0.033 0.000 1.456 628 G CA -0.707 44.259 45.100 -0.223 0.000 0.804 628 G HN 0.639 nan 8.290 nan 0.000 0.499 629 W N 0.831 122.054 121.300 -0.129 0.000 2.864 629 W HA 0.603 4.773 4.660 -0.817 0.000 0.343 629 W C 0.887 177.482 176.519 0.127 0.000 1.109 629 W CA 0.413 57.774 57.345 0.027 0.000 1.192 629 W CB 2.021 31.506 29.460 0.043 0.000 1.426 629 W HN 1.219 nan 8.180 nan 0.000 0.529 630 S N 1.984 117.995 115.700 0.518 0.000 4.138 630 S HA -0.438 3.536 4.470 -0.825 0.000 0.574 630 S C 1.104 175.887 174.600 0.304 0.000 1.895 630 S CA 2.071 60.600 58.200 0.548 0.000 4.239 630 S CB -1.855 61.818 63.200 0.788 0.000 0.264 630 S HN 0.759 nan 8.310 nan 0.000 0.489 631 Y N 2.577 122.966 120.300 0.148 0.000 2.293 631 Y HA 0.133 4.188 4.550 -0.824 0.000 0.291 631 Y C 2.379 178.247 175.900 -0.052 0.000 1.137 631 Y CA 2.359 60.442 58.100 -0.029 0.000 1.202 631 Y CB -1.099 37.202 38.460 -0.266 0.000 0.990 631 Y HN 0.509 nan 8.280 nan 0.000 0.537 632 G N -0.667 108.213 108.800 0.133 0.000 2.418 632 G HA2 -0.251 3.214 3.960 -0.825 0.000 0.217 632 G HA3 -0.251 3.214 3.960 -0.825 0.000 0.217 632 G C 1.963 176.913 174.900 0.084 0.000 1.158 632 G CA 0.726 45.885 45.100 0.098 0.000 0.771 632 G HN 0.571 nan 8.290 nan 0.000 0.545 633 G N -0.213 108.652 108.800 0.108 0.000 2.475 633 G HA2 -0.299 3.166 3.960 -0.825 0.000 0.220 633 G HA3 -0.299 3.166 3.960 -0.825 0.000 0.220 633 G C 1.636 176.565 174.900 0.048 0.000 1.125 633 G CA 1.196 46.333 45.100 0.062 0.000 0.755 633 G HN 0.470 nan 8.290 nan 0.000 0.565 634 Y N 1.056 121.289 120.300 -0.112 0.000 2.263 634 Y HA 0.011 4.065 4.550 -0.828 0.000 0.292 634 Y C 2.635 178.451 175.900 -0.140 0.000 1.130 634 Y CA 1.124 59.097 58.100 -0.210 0.000 1.179 634 Y CB -0.103 38.089 38.460 -0.446 0.000 0.998 634 Y HN 0.045 nan 8.280 nan 0.000 0.532 635 V N -0.834 118.974 119.914 -0.176 0.000 2.407 635 V HA -0.226 3.399 4.120 -0.825 0.000 0.245 635 V C 2.248 178.213 176.094 -0.214 0.000 1.041 635 V CA 2.194 64.362 62.300 -0.219 0.000 1.040 635 V CB -1.157 30.673 31.823 0.011 0.000 0.671 635 V HN 0.379 nan 8.190 nan 0.000 0.455 636 T N 0.096 114.582 114.554 -0.115 0.000 2.699 636 T HA -0.209 3.646 4.350 -0.825 0.000 0.268 636 T C 2.166 176.779 174.700 -0.144 0.000 1.036 636 T CA 2.087 64.127 62.100 -0.100 0.000 1.147 636 T CB -0.236 68.659 68.868 0.044 0.000 0.862 636 T HN 0.481 nan 8.240 nan 0.000 0.446 637 S N 0.853 116.485 115.700 -0.114 0.000 2.345 637 S HA 0.029 4.004 4.470 -0.825 0.000 0.219 637 S C 2.168 176.648 174.600 -0.199 0.000 1.031 637 S CA 0.850 58.996 58.200 -0.091 0.000 0.984 637 S CB -0.281 62.915 63.200 -0.006 0.000 0.874 637 S HN 0.308 nan 8.310 nan 0.000 0.451 638 M N 1.146 120.539 119.600 -0.345 0.000 2.195 638 M HA -0.081 3.903 4.480 -0.825 0.000 0.260 638 M C 2.134 178.255 176.300 -0.298 0.000 1.066 638 M CA 1.127 56.218 55.300 -0.347 0.000 1.089 638 M CB -1.350 30.935 32.600 -0.525 0.000 1.377 638 M HN 0.180 nan 8.290 nan 0.000 0.411 639 V N 0.334 120.052 119.914 -0.326 0.000 2.283 639 V HA -0.223 3.402 4.120 -0.825 0.000 0.243 639 V C 2.432 178.294 176.094 -0.386 0.000 1.039 639 V CA 1.298 63.396 62.300 -0.337 0.000 1.016 639 V CB -0.605 30.945 31.823 -0.456 0.000 0.650 639 V HN 0.388 nan 8.190 nan 0.000 0.449 640 L N 0.636 121.565 121.223 -0.490 0.000 2.349 640 L HA -0.086 3.758 4.340 -0.825 0.000 0.220 640 L C 2.020 178.351 176.870 -0.899 0.000 1.130 640 L CA 1.396 55.862 54.840 -0.624 0.000 0.791 640 L CB -0.607 41.029 42.059 -0.705 0.000 0.918 640 L HN 0.479 nan 8.230 nan 0.000 0.444 641 G N -1.753 106.580 108.800 -0.778 0.000 3.502 641 G HA2 0.028 3.493 3.960 -0.825 0.000 0.267 641 G HA3 0.028 3.493 3.960 -0.825 0.000 0.267 641 G C 1.390 176.138 174.900 -0.253 0.000 1.090 641 G CA 0.513 45.268 45.100 -0.575 0.000 0.795 641 G HN 0.391 nan 8.290 nan 0.000 0.535 642 S N -0.673 114.890 115.700 -0.227 0.000 2.377 642 S HA 0.321 4.295 4.470 -0.825 0.000 0.223 642 S C 1.959 176.511 174.600 -0.081 0.000 1.030 642 S CA 1.329 59.454 58.200 -0.125 0.000 0.970 642 S CB -0.081 63.058 63.200 -0.101 0.000 0.830 642 S HN 1.356 nan 8.310 nan 0.000 0.473 643 G N 0.795 109.547 108.800 -0.080 0.000 2.184 643 G HA2 -0.286 3.179 3.960 -0.825 0.000 0.206 643 G HA3 -0.286 3.179 3.960 -0.825 0.000 0.206 643 G C 1.031 175.920 174.900 -0.018 0.000 0.995 643 G CA 0.771 45.844 45.100 -0.045 0.000 0.651 643 G HN 1.250 nan 8.290 nan 0.000 0.511 644 S N 0.458 116.158 115.700 -0.000 0.000 2.469 644 S HA 0.280 4.255 4.470 -0.825 0.000 0.238 644 S C 2.355 176.966 174.600 0.019 0.000 0.998 644 S CA 1.501 59.715 58.200 0.023 0.000 0.957 644 S CB -0.534 62.712 63.200 0.077 0.000 0.764 644 S HN 2.344 nan 8.310 nan 0.000 0.514 645 G N 0.338 109.153 108.800 0.025 0.000 2.379 645 G HA2 -0.237 3.228 3.960 -0.825 0.000 0.297 645 G HA3 -0.237 3.228 3.960 -0.825 0.000 0.297 645 G C 0.496 175.387 174.900 -0.014 0.000 1.004 645 G CA 0.492 45.600 45.100 0.013 0.000 0.921 645 G HN 0.741 nan 8.290 nan 0.000 0.511 646 V N -1.678 118.231 119.914 -0.009 0.000 3.263 646 V HA 0.360 3.984 4.120 -0.825 0.000 0.248 646 V C 0.879 176.713 176.094 -0.433 0.000 1.145 646 V CA 0.723 62.885 62.300 -0.229 0.000 1.107 646 V CB -0.066 31.553 31.823 -0.340 0.000 0.797 646 V HN 0.283 nan 8.190 nan 0.000 0.467 647 F N 0.669 120.630 119.950 0.018 0.000 2.427 647 F HA 0.427 4.460 4.527 -0.823 0.000 0.346 647 F C 1.176 177.016 175.800 0.068 0.000 1.120 647 F CA -0.508 57.527 58.000 0.060 0.000 1.033 647 F CB 1.653 40.685 39.000 0.052 0.000 1.126 647 F HN -0.218 nan 8.300 nan 0.000 0.462 648 K N 2.121 122.659 120.400 0.229 0.000 2.007 648 K HA -0.005 3.820 4.320 -0.825 0.000 0.206 648 K C 0.377 177.100 176.600 0.205 0.000 1.047 648 K CA 1.325 57.722 56.287 0.184 0.000 0.937 648 K CB 0.147 32.760 32.500 0.188 0.000 0.718 648 K HN 0.818 nan 8.250 nan 0.000 0.438 649 c N -2.685 116.071 118.600 0.261 0.000 3.327 649 c HA 0.951 5.025 4.570 -0.825 0.000 0.366 649 c C 0.080 174.400 174.090 0.383 0.000 2.438 649 c CA -0.401 56.102 56.329 0.290 0.000 1.438 649 c CB 0.900 43.492 42.510 0.137 0.000 2.876 649 c HN 0.468 nan 8.230 nan 0.000 0.483 650 G N -0.237 108.878 108.800 0.524 0.000 2.405 650 G HA2 0.516 3.981 3.960 -0.825 0.000 0.303 650 G HA3 0.516 3.981 3.960 -0.825 0.000 0.303 650 G C -1.842 173.313 174.900 0.425 0.000 1.644 650 G CA -0.650 44.724 45.100 0.457 0.000 0.899 650 G HN 0.902 nan 8.290 nan 0.000 0.667 651 I N 1.099 121.881 120.570 0.354 0.000 2.433 651 I HA 0.666 4.341 4.170 -0.825 0.000 0.292 651 I C 0.386 176.663 176.117 0.266 0.000 1.001 651 I CA -1.005 60.384 61.300 0.148 0.000 1.119 651 I CB 2.192 40.235 38.000 0.071 0.000 1.289 651 I HN 0.716 nan 8.210 nan 0.000 0.438 652 A N 6.590 129.481 122.820 0.119 0.000 2.311 652 A HA 0.727 4.551 4.320 -0.825 0.000 0.306 652 A C -0.734 176.787 177.584 -0.104 0.000 1.189 652 A CA -0.496 51.605 52.037 0.107 0.000 0.791 652 A CB 1.015 20.146 19.000 0.219 0.000 1.172 652 A HN 0.444 nan 8.150 nan 0.000 0.481 653 V N 2.085 121.895 119.914 -0.173 0.000 2.394 653 V HA 0.562 4.187 4.120 -0.825 0.000 0.282 653 V C 1.085 176.763 176.094 -0.692 0.000 1.031 653 V CA 0.388 62.346 62.300 -0.569 0.000 0.881 653 V CB 0.699 31.934 31.823 -0.980 0.000 0.982 653 V HN 2.111 nan 8.190 nan 0.000 0.451 654 A N 5.272 127.607 122.820 -0.807 0.000 2.748 654 A HA -0.110 3.715 4.320 -0.825 0.000 0.297 654 A C -1.148 176.187 177.584 -0.415 0.000 1.508 654 A CA 0.631 52.081 52.037 -0.978 0.000 0.799 654 A CB -1.841 16.826 19.000 -0.555 0.000 1.011 654 A HN 0.682 nan 8.150 nan 0.000 0.500 655 P HA 0.305 nan 4.420 nan 0.000 0.271 655 P C -0.055 177.189 177.300 -0.093 0.000 1.244 655 P CA 0.055 63.094 63.100 -0.102 0.000 0.793 655 P CB 0.807 32.476 31.700 -0.052 0.000 0.984 656 V N 1.471 121.279 119.914 -0.177 0.000 2.370 656 V HA 0.068 3.693 4.120 -0.825 0.000 0.283 656 V C 1.639 177.546 176.094 -0.312 0.000 1.023 656 V CA 0.182 62.229 62.300 -0.423 0.000 0.857 656 V CB 0.805 31.990 31.823 -1.063 0.000 0.985 656 V HN 0.679 nan 8.190 nan 0.000 0.443 657 S N 5.779 121.369 115.700 -0.184 0.000 2.325 657 S HA 0.056 4.030 4.470 -0.825 0.000 0.214 657 S C 0.772 175.245 174.600 -0.212 0.000 1.031 657 S CA 0.204 58.353 58.200 -0.086 0.000 0.972 657 S CB -0.028 63.188 63.200 0.027 0.000 0.908 657 S HN 0.826 nan 8.310 nan 0.000 0.453 658 R N -1.187 119.120 120.500 -0.321 0.000 2.912 658 R HA 0.530 4.375 4.340 -0.825 0.000 0.262 658 R C -0.572 175.357 176.300 -0.619 0.000 1.057 658 R CA -0.961 54.857 56.100 -0.470 0.000 0.981 658 R CB 0.389 30.425 30.300 -0.440 0.000 1.201 658 R HN 0.244 nan 8.270 nan 0.000 0.484 659 W N 0.106 121.344 121.300 -0.103 0.000 2.658 659 W HA 0.149 4.318 4.660 -0.818 0.000 0.263 659 W C 1.211 177.793 176.519 0.105 0.000 1.274 659 W CA 0.210 57.591 57.345 0.061 0.000 1.343 659 W CB 0.342 29.931 29.460 0.214 0.000 1.106 659 W HN 0.738 nan 8.180 nan 0.000 0.615 660 E N -0.669 119.545 120.200 0.023 0.000 2.409 660 E HA -0.185 3.670 4.350 -0.825 0.000 0.198 660 E C 0.973 177.575 176.600 0.003 0.000 1.024 660 E CA 0.869 57.182 56.400 -0.145 0.000 0.861 660 E CB -0.194 29.307 29.700 -0.332 0.000 0.788 660 E HN 0.364 nan 8.360 nan 0.000 0.521 661 Y N -1.576 118.750 120.300 0.044 0.000 2.482 661 Y HA 0.089 4.157 4.550 -0.804 0.000 0.270 661 Y C 0.569 176.492 175.900 0.039 0.000 1.152 661 Y CA -0.351 57.749 58.100 -0.000 0.000 1.292 661 Y CB -0.273 38.144 38.460 -0.071 0.000 1.070 661 Y HN 0.023 nan 8.280 nan 0.000 0.528 662 Y N 1.708 122.112 120.300 0.173 0.000 2.418 662 Y HA 0.298 4.350 4.550 -0.831 0.000 0.327 662 Y C 0.295 176.366 175.900 0.285 0.000 1.309 662 Y CA -2.158 56.061 58.100 0.198 0.000 1.423 662 Y CB 0.326 38.984 38.460 0.329 0.000 1.423 662 Y HN 0.169 nan 8.280 nan 0.000 0.532 663 D N -0.748 119.263 120.400 -0.647 0.000 2.357 663 D HA 0.144 4.289 4.640 -0.825 0.000 0.242 663 D C 0.968 177.208 176.300 -0.099 0.000 1.153 663 D CA 0.289 54.036 54.000 -0.422 0.000 0.918 663 D CB 0.792 41.178 40.800 -0.690 0.000 1.181 663 D HN 0.467 nan 8.370 nan 0.000 0.435 664 S N 0.824 116.488 115.700 -0.060 0.000 2.344 664 S HA -0.226 3.748 4.470 -0.825 0.000 0.217 664 S C 1.987 176.598 174.600 0.018 0.000 1.033 664 S CA 1.212 59.434 58.200 0.037 0.000 1.017 664 S CB -1.139 62.095 63.200 0.057 0.000 0.941 664 S HN 0.415 nan 8.310 nan 0.000 0.430 665 V N 1.149 121.004 119.914 -0.098 0.000 2.277 665 V HA -0.252 3.373 4.120 -0.825 0.000 0.253 665 V C 2.301 178.296 176.094 -0.165 0.000 1.067 665 V CA 2.559 64.706 62.300 -0.254 0.000 1.047 665 V CB -1.171 30.317 31.823 -0.557 0.000 0.649 665 V HN 0.631 nan 8.190 nan 0.000 0.447 666 Y N 1.111 121.321 120.300 -0.150 0.000 2.114 666 Y HA -0.220 3.837 4.550 -0.822 0.000 0.284 666 Y C 2.791 178.650 175.900 -0.068 0.000 1.119 666 Y CA 2.345 60.414 58.100 -0.051 0.000 1.108 666 Y CB -0.719 37.919 38.460 0.296 0.000 0.995 666 Y HN 0.219 nan 8.280 nan 0.000 0.491 667 T N 0.774 115.566 114.554 0.396 0.000 2.624 667 T HA -0.287 3.567 4.350 -0.825 0.000 0.268 667 T C 1.512 176.210 174.700 -0.004 0.000 1.041 667 T CA 2.238 64.488 62.100 0.251 0.000 1.159 667 T CB -0.490 68.669 68.868 0.486 0.000 0.863 667 T HN 0.513 nan 8.240 nan 0.000 0.434 668 E N 0.546 120.769 120.200 0.038 0.000 2.204 668 E HA -0.114 3.741 4.350 -0.825 0.000 0.194 668 E C 2.345 178.857 176.600 -0.146 0.000 0.989 668 E CA 0.614 57.027 56.400 0.022 0.000 0.824 668 E CB -0.188 29.561 29.700 0.082 0.000 0.756 668 E HN 0.404 nan 8.360 nan 0.000 0.477 669 R N 0.302 120.581 120.500 -0.368 0.000 2.091 669 R HA -0.193 3.652 4.340 -0.825 0.000 0.238 669 R C 1.331 177.199 176.300 -0.720 0.000 1.136 669 R CA 1.596 57.315 56.100 -0.635 0.000 0.959 669 R CB -0.035 29.591 30.300 -1.123 0.000 0.856 669 R HN 0.209 nan 8.270 nan 0.000 0.437 670 Y N -1.908 118.061 120.300 -0.552 0.000 2.522 670 Y HA 0.197 4.251 4.550 -0.827 0.000 0.277 670 Y C 1.884 177.578 175.900 -0.343 0.000 1.104 670 Y CA 0.192 57.954 58.100 -0.563 0.000 1.260 670 Y CB 0.293 38.288 38.460 -0.775 0.000 1.151 670 Y HN -0.018 nan 8.280 nan 0.000 0.539 671 M N -0.838 118.638 119.600 -0.207 0.000 2.514 671 M HA 0.343 4.328 4.480 -0.825 0.000 0.258 671 M C 1.105 177.313 176.300 -0.154 0.000 1.159 671 M CA 0.980 56.107 55.300 -0.289 0.000 1.116 671 M CB -0.459 31.764 32.600 -0.628 0.000 1.333 671 M HN 0.336 nan 8.290 nan 0.000 0.487 672 G N 1.373 110.161 108.800 -0.021 0.000 2.615 672 G HA2 -0.217 3.248 3.960 -0.825 0.000 0.218 672 G HA3 -0.217 3.248 3.960 -0.825 0.000 0.218 672 G C -0.685 174.345 174.900 0.218 0.000 1.339 672 G CA -0.803 44.340 45.100 0.072 0.000 0.884 672 G HN 0.310 nan 8.290 nan 0.000 0.559 673 L N 2.356 123.702 121.223 0.206 0.000 2.334 673 L HA 0.427 4.272 4.340 -0.825 0.000 0.277 673 L C -1.338 175.701 176.870 0.282 0.000 1.075 673 L CA -1.756 53.213 54.840 0.216 0.000 0.804 673 L CB 1.855 43.978 42.059 0.107 0.000 1.174 673 L HN 0.455 nan 8.230 nan 0.000 0.438 674 P HA 0.062 nan 4.420 nan 0.000 0.226 674 P C -0.665 176.624 177.300 -0.018 0.000 1.783 674 P CA -0.033 62.986 63.100 -0.134 0.000 0.980 674 P CB -0.396 30.984 31.700 -0.533 0.000 1.967 675 T N -2.435 112.162 114.554 0.072 0.000 2.883 675 T HA 0.471 4.325 4.350 -0.825 0.000 0.296 675 T C -2.265 172.475 174.700 0.066 0.000 1.117 675 T CA -2.114 60.014 62.100 0.048 0.000 1.006 675 T CB 2.067 70.959 68.868 0.040 0.000 1.191 675 T HN -0.199 nan 8.240 nan 0.000 0.508 676 P HA -0.060 nan 4.420 nan 0.000 0.216 676 P C 0.802 178.131 177.300 0.048 0.000 1.153 676 P CA 1.274 64.403 63.100 0.048 0.000 0.844 676 P CB 0.070 31.790 31.700 0.033 0.000 0.787 677 E N -0.704 119.520 120.200 0.040 0.000 2.463 677 E HA -0.127 3.728 4.350 -0.825 0.000 0.201 677 E C 1.415 178.042 176.600 0.045 0.000 1.045 677 E CA 0.924 57.346 56.400 0.036 0.000 0.872 677 E CB -0.263 29.454 29.700 0.028 0.000 0.797 677 E HN 0.339 nan 8.360 nan 0.000 0.538 678 D N -0.600 119.838 120.400 0.063 0.000 3.054 678 D HA 0.044 4.189 4.640 -0.825 0.000 0.209 678 D C -0.178 176.180 176.300 0.097 0.000 1.527 678 D CA 0.158 54.204 54.000 0.076 0.000 1.427 678 D CB 0.263 41.115 40.800 0.086 0.000 1.059 678 D HN -0.032 nan 8.370 nan 0.000 0.243 679 N N 0.262 119.053 118.700 0.151 0.000 2.636 679 N HA 0.120 4.364 4.740 -0.825 0.000 0.287 679 N C 0.066 175.752 175.510 0.293 0.000 1.817 679 N CA -0.029 53.124 53.050 0.170 0.000 0.842 679 N CB 0.238 38.791 38.487 0.110 0.000 1.353 679 N HN 0.113 nan 8.380 nan 0.000 0.500 680 L N 0.151 121.512 121.223 0.230 0.000 2.095 680 L HA 0.188 4.033 4.340 -0.825 0.000 0.204 680 L C 1.267 178.253 176.870 0.194 0.000 1.080 680 L CA 1.768 56.745 54.840 0.228 0.000 0.759 680 L CB -0.186 41.942 42.059 0.114 0.000 0.914 680 L HN 0.154 nan 8.230 nan 0.000 0.439 681 D N -1.143 119.342 120.400 0.142 0.000 2.116 681 D HA -0.275 3.870 4.640 -0.825 0.000 0.193 681 D C 2.041 178.425 176.300 0.140 0.000 0.998 681 D CA 1.805 55.875 54.000 0.117 0.000 0.836 681 D CB -0.173 40.686 40.800 0.098 0.000 0.951 681 D HN 0.501 nan 8.370 nan 0.000 0.449 682 H N -1.133 117.974 119.070 0.062 0.000 2.495 682 H HA -0.049 4.012 4.556 -0.824 0.000 0.287 682 H C 1.594 176.962 175.328 0.067 0.000 1.033 682 H CA 1.021 57.085 56.048 0.026 0.000 1.307 682 H CB -0.203 29.534 29.762 -0.043 0.000 1.401 682 H HN 0.119 nan 8.280 nan 0.000 0.555 683 Y N 0.363 120.655 120.300 -0.015 0.000 2.200 683 Y HA -0.113 3.941 4.550 -0.826 0.000 0.290 683 Y C 2.333 178.190 175.900 -0.071 0.000 1.137 683 Y CA 1.291 59.374 58.100 -0.028 0.000 1.163 683 Y CB 0.107 38.582 38.460 0.024 0.000 0.988 683 Y HN 0.110 nan 8.280 nan 0.000 0.518 684 R N -0.094 120.483 120.500 0.128 0.000 2.148 684 R HA -0.088 3.757 4.340 -0.825 0.000 0.223 684 R C 1.700 178.001 176.300 0.002 0.000 1.088 684 R CA 0.730 56.855 56.100 0.041 0.000 0.985 684 R CB -0.773 29.552 30.300 0.042 0.000 0.880 684 R HN 0.410 nan 8.270 nan 0.000 0.451 685 N N 0.581 119.271 118.700 -0.016 0.000 2.250 685 N HA -0.084 4.161 4.740 -0.825 0.000 0.181 685 N C 1.438 176.911 175.510 -0.062 0.000 1.017 685 N CA 1.371 54.408 53.050 -0.021 0.000 0.866 685 N CB 0.078 38.589 38.487 0.039 0.000 0.985 685 N HN 0.202 nan 8.380 nan 0.000 0.429 686 S N 0.147 115.748 115.700 -0.164 0.000 2.547 686 S HA -0.072 3.903 4.470 -0.825 0.000 0.235 686 S C 1.026 175.654 174.600 0.047 0.000 0.980 686 S CA 0.316 58.475 58.200 -0.068 0.000 0.941 686 S CB -0.945 62.217 63.200 -0.063 0.000 0.763 686 S HN 0.360 nan 8.310 nan 0.000 0.532 687 T N -0.440 114.106 114.554 -0.013 0.000 2.930 687 T HA 0.345 4.200 4.350 -0.825 0.000 0.306 687 T C 1.297 175.994 174.700 -0.006 0.000 1.045 687 T CA -0.395 61.687 62.100 -0.030 0.000 1.134 687 T CB 1.161 69.992 68.868 -0.063 0.000 0.961 687 T HN -0.006 nan 8.240 nan 0.000 0.545 688 V N 3.292 123.206 119.914 -0.001 0.000 2.261 688 V HA -0.187 3.438 4.120 -0.825 0.000 0.246 688 V C 2.706 178.780 176.094 -0.034 0.000 1.047 688 V CA 2.124 64.413 62.300 -0.019 0.000 1.015 688 V CB -0.951 30.851 31.823 -0.036 0.000 0.642 688 V HN 0.880 nan 8.190 nan 0.000 0.446 689 M N 1.369 120.935 119.600 -0.056 0.000 2.147 689 M HA -0.241 3.743 4.480 -0.825 0.000 0.253 689 M C 2.232 178.512 176.300 -0.032 0.000 1.075 689 M CA 2.501 57.763 55.300 -0.062 0.000 1.085 689 M CB -1.140 31.436 32.600 -0.039 0.000 1.305 689 M HN 0.544 nan 8.290 nan 0.000 0.409 690 S N -0.757 114.934 115.700 -0.015 0.000 2.584 690 S HA -0.066 3.909 4.470 -0.825 0.000 0.240 690 S C 1.467 176.077 174.600 0.017 0.000 0.975 690 S CA 0.757 58.957 58.200 -0.000 0.000 0.949 690 S CB -0.505 62.694 63.200 -0.002 0.000 0.761 690 S HN 0.543 nan 8.310 nan 0.000 0.536 691 R N -0.309 120.214 120.500 0.039 0.000 2.565 691 R HA 0.491 4.336 4.340 -0.825 0.000 0.347 691 R C 1.973 178.386 176.300 0.188 0.000 1.010 691 R CA 0.442 56.591 56.100 0.082 0.000 1.126 691 R CB -0.026 30.315 30.300 0.068 0.000 1.331 691 R HN 0.369 nan 8.270 nan 0.000 0.552 692 A N 1.611 124.490 122.820 0.099 0.000 1.903 692 A HA -0.292 3.533 4.320 -0.825 0.000 0.219 692 A C 1.977 179.665 177.584 0.174 0.000 1.191 692 A CA 1.969 54.039 52.037 0.054 0.000 0.638 692 A CB -0.322 18.646 19.000 -0.053 0.000 0.823 692 A HN 0.431 nan 8.150 nan 0.000 0.451 693 E N -0.303 119.966 120.200 0.117 0.000 2.265 693 E HA -0.172 3.682 4.350 -0.825 0.000 0.196 693 E C 1.505 178.175 176.600 0.116 0.000 0.996 693 E CA 1.032 57.496 56.400 0.106 0.000 0.832 693 E CB -0.124 29.615 29.700 0.065 0.000 0.756 693 E HN 0.612 nan 8.360 nan 0.000 0.491 694 N N -0.359 118.409 118.700 0.113 0.000 2.494 694 N HA -0.081 4.164 4.740 -0.825 0.000 0.182 694 N C 0.791 176.295 175.510 -0.010 0.000 1.076 694 N CA 0.477 53.543 53.050 0.026 0.000 0.908 694 N CB -0.035 38.425 38.487 -0.044 0.000 0.967 694 N HN 0.223 nan 8.380 nan 0.000 0.449 695 F N 1.671 121.592 119.950 -0.049 0.000 2.641 695 F HA 0.011 4.047 4.527 -0.819 0.000 0.298 695 F C 2.065 177.882 175.800 0.028 0.000 1.146 695 F CA 0.652 58.620 58.000 -0.055 0.000 1.464 695 F CB 0.185 39.126 39.000 -0.099 0.000 1.101 695 F HN -0.089 nan 8.300 nan 0.000 0.585 696 K N -0.203 120.297 120.400 0.167 0.000 2.280 696 K HA -0.129 3.695 4.320 -0.825 0.000 0.202 696 K C 1.271 177.928 176.600 0.095 0.000 1.047 696 K CA 0.802 57.170 56.287 0.135 0.000 0.942 696 K CB -0.096 32.465 32.500 0.101 0.000 0.739 696 K HN 0.351 nan 8.250 nan 0.000 0.457 697 Q N 0.577 120.409 119.800 0.053 0.000 2.222 697 Q HA 0.062 3.907 4.340 -0.825 0.000 0.206 697 Q C -0.018 176.011 176.000 0.049 0.000 0.877 697 Q CA 0.131 55.959 55.803 0.041 0.000 0.958 697 Q CB 0.813 29.560 28.738 0.015 0.000 1.075 697 Q HN 0.104 nan 8.270 nan 0.000 0.483 698 V N -3.003 116.955 119.914 0.072 0.000 2.851 698 V HA 0.439 4.064 4.120 -0.825 0.000 0.307 698 V C -0.796 175.430 176.094 0.221 0.000 1.129 698 V CA -1.173 61.191 62.300 0.107 0.000 0.932 698 V CB 2.204 34.034 31.823 0.011 0.000 1.024 698 V HN 0.016 nan 8.190 nan 0.000 0.426 699 E N 3.516 123.866 120.200 0.250 0.000 2.265 699 E HA 0.314 4.169 4.350 -0.825 0.000 0.272 699 E C -1.504 175.445 176.600 0.581 0.000 1.067 699 E CA -0.049 56.563 56.400 0.354 0.000 0.900 699 E CB 1.017 30.842 29.700 0.209 0.000 1.017 699 E HN 0.719 nan 8.360 nan 0.000 0.431 700 Y N 3.691 124.255 120.300 0.441 0.000 2.446 700 Y HA 0.481 4.538 4.550 -0.823 0.000 0.345 700 Y C -1.614 174.393 175.900 0.177 0.000 0.984 700 Y CA -1.567 56.742 58.100 0.348 0.000 1.058 700 Y CB 1.111 39.791 38.460 0.367 0.000 1.220 700 Y HN 0.405 nan 8.280 nan 0.000 0.455 701 L N 7.244 128.195 121.223 -0.454 0.000 2.376 701 L HA 0.605 4.450 4.340 -0.825 0.000 0.275 701 L C -2.269 174.141 176.870 -0.766 0.000 0.987 701 L CA -0.769 53.631 54.840 -0.733 0.000 0.828 701 L CB 1.480 42.766 42.059 -1.289 0.000 1.249 701 L HN 0.679 nan 8.230 nan 0.000 0.409 702 L N 6.453 127.313 121.223 -0.604 0.000 2.296 702 L HA 0.697 4.542 4.340 -0.825 0.000 0.286 702 L C -1.081 175.670 176.870 -0.199 0.000 1.023 702 L CA -0.025 54.538 54.840 -0.462 0.000 0.812 702 L CB 1.213 42.989 42.059 -0.472 0.000 1.223 702 L HN 0.582 nan 8.230 nan 0.000 0.421 703 I N 4.534 124.988 120.570 -0.194 0.000 2.533 703 I HA 0.451 4.126 4.170 -0.825 0.000 0.290 703 I C -1.023 175.049 176.117 -0.075 0.000 1.056 703 I CA -0.665 60.585 61.300 -0.084 0.000 1.057 703 I CB 1.955 39.854 38.000 -0.168 0.000 1.240 703 I HN 0.668 nan 8.210 nan 0.000 0.423 704 H N 2.254 121.388 119.070 0.106 0.000 3.046 704 H HA 0.549 4.627 4.556 -0.796 0.000 0.361 704 H C -0.528 175.024 175.328 0.373 0.000 1.235 704 H CA -0.791 55.347 56.048 0.150 0.000 1.146 704 H CB 2.429 32.221 29.762 0.050 0.000 1.859 704 H HN 0.738 nan 8.280 nan 0.000 0.548 705 G N 0.926 110.098 108.800 0.620 0.000 2.377 705 G HA2 0.184 3.648 3.960 -0.825 0.000 0.316 705 G HA3 0.184 3.648 3.960 -0.825 0.000 0.316 705 G C 1.094 176.192 174.900 0.330 0.000 1.115 705 G CA 0.033 45.407 45.100 0.456 0.000 0.952 705 G HN 0.768 nan 8.290 nan 0.000 0.441 706 T N -0.172 114.488 114.554 0.176 0.000 2.836 706 T HA -0.186 3.668 4.350 -0.825 0.000 0.268 706 T C 1.719 176.371 174.700 -0.081 0.000 1.080 706 T CA 1.600 63.615 62.100 -0.142 0.000 1.128 706 T CB 0.047 68.758 68.868 -0.261 0.000 0.839 706 T HN 0.753 nan 8.240 nan 0.000 0.507 707 A N 0.735 123.585 122.820 0.049 0.000 2.708 707 A HA 0.332 4.157 4.320 -0.825 0.000 0.293 707 A C 0.351 177.837 177.584 -0.164 0.000 1.303 707 A CA -0.526 51.518 52.037 0.012 0.000 0.949 707 A CB -0.148 19.142 19.000 0.483 0.000 1.121 707 A HN 0.382 nan 8.150 nan 0.000 0.542 708 D N 1.344 121.632 120.400 -0.188 0.000 2.339 708 D HA 0.028 4.173 4.640 -0.825 0.000 0.256 708 D C 0.349 176.521 176.300 -0.214 0.000 1.214 708 D CA 0.154 54.158 54.000 0.007 0.000 0.877 708 D CB 0.803 41.725 40.800 0.203 0.000 1.111 708 D HN 0.576 nan 8.370 nan 0.000 0.478 709 D N 2.244 122.615 120.400 -0.049 0.000 2.367 709 D HA -0.104 4.041 4.640 -0.825 0.000 0.207 709 D C 0.945 177.239 176.300 -0.010 0.000 1.034 709 D CA -0.237 53.664 54.000 -0.164 0.000 0.861 709 D CB 0.396 40.990 40.800 -0.344 0.000 0.943 709 D HN 0.208 nan 8.370 nan 0.000 0.515 710 N N 0.826 119.653 118.700 0.211 0.000 2.245 710 N HA -0.032 4.213 4.740 -0.825 0.000 0.185 710 N C -0.093 175.497 175.510 0.132 0.000 1.036 710 N CA 0.628 53.869 53.050 0.319 0.000 0.857 710 N CB 0.740 39.305 38.487 0.130 0.000 1.015 710 N HN -0.056 nan 8.380 nan 0.000 0.436 711 V N 3.368 123.334 119.914 0.087 0.000 2.349 711 V HA 0.202 3.827 4.120 -0.825 0.000 0.284 711 V C -1.015 175.160 176.094 0.135 0.000 1.014 711 V CA -0.791 61.574 62.300 0.108 0.000 0.826 711 V CB 0.742 32.701 31.823 0.227 0.000 1.009 711 V HN 0.262 nan 8.190 nan 0.000 0.431 712 H N 3.905 122.908 119.070 -0.111 0.000 2.964 712 H HA 0.040 4.101 4.556 -0.826 0.000 0.328 712 H C 0.866 175.973 175.328 -0.367 0.000 1.030 712 H CA -0.363 55.521 56.048 -0.273 0.000 1.445 712 H CB 0.387 29.944 29.762 -0.342 0.000 1.449 712 H HN 0.651 nan 8.280 nan 0.000 0.581 713 F N 2.626 122.280 119.950 -0.494 0.000 2.176 713 F HA -0.340 4.082 4.527 -0.175 0.000 0.301 713 F C 2.546 178.118 175.800 -0.379 0.000 1.071 713 F CA 2.119 59.714 58.000 -0.675 0.000 1.289 713 F CB -0.065 38.692 39.000 -0.406 0.000 1.028 713 F HN 0.714 nan 8.300 nan 0.000 0.494 714 Q N -0.031 119.664 119.800 -0.175 0.000 2.268 714 Q HA -0.297 3.548 4.340 -0.825 0.000 0.210 714 Q C 1.922 177.681 176.000 -0.402 0.000 0.988 714 Q CA 2.072 57.715 55.803 -0.266 0.000 0.883 714 Q CB -0.383 28.170 28.738 -0.308 0.000 0.911 714 Q HN 0.618 nan 8.270 nan 0.000 0.430 715 Q N -0.263 119.340 119.800 -0.328 0.000 2.083 715 Q HA -0.065 3.780 4.340 -0.825 0.000 0.198 715 Q C 2.254 178.158 176.000 -0.159 0.000 0.969 715 Q CA 1.551 57.237 55.803 -0.194 0.000 0.838 715 Q CB 0.094 28.810 28.738 -0.038 0.000 0.900 715 Q HN 0.367 nan 8.270 nan 0.000 0.436 716 S N 0.986 116.557 115.700 -0.215 0.000 2.362 716 S HA -0.031 3.944 4.470 -0.825 0.000 0.221 716 S C 2.116 176.520 174.600 -0.327 0.000 1.032 716 S CA 0.759 58.825 58.200 -0.224 0.000 0.973 716 S CB -0.220 62.874 63.200 -0.178 0.000 0.849 716 S HN 0.469 nan 8.310 nan 0.000 0.465 717 A N 1.330 123.827 122.820 -0.538 0.000 2.054 717 A HA -0.222 3.603 4.320 -0.825 0.000 0.223 717 A C 2.060 179.544 177.584 -0.167 0.000 1.169 717 A CA 1.480 53.317 52.037 -0.333 0.000 0.655 717 A CB -0.470 18.395 19.000 -0.226 0.000 0.812 717 A HN 0.404 nan 8.150 nan 0.000 0.462 718 Q N -0.995 118.703 119.800 -0.170 0.000 2.302 718 Q HA 0.111 3.956 4.340 -0.825 0.000 0.202 718 Q C 2.105 178.060 176.000 -0.075 0.000 0.936 718 Q CA 0.580 56.333 55.803 -0.083 0.000 0.886 718 Q CB -0.120 28.604 28.738 -0.023 0.000 0.986 718 Q HN 0.789 nan 8.270 nan 0.000 0.487 719 I N 1.067 121.565 120.570 -0.120 0.000 2.094 719 I HA -0.298 3.377 4.170 -0.825 0.000 0.234 719 I C 2.554 178.553 176.117 -0.195 0.000 1.063 719 I CA 1.481 62.677 61.300 -0.173 0.000 1.328 719 I CB -0.655 37.221 38.000 -0.207 0.000 1.058 719 I HN 0.190 nan 8.210 nan 0.000 0.400 720 S N 1.215 116.808 115.700 -0.178 0.000 2.381 720 S HA -0.371 3.604 4.470 -0.825 0.000 0.230 720 S C 2.036 176.676 174.600 0.068 0.000 1.052 720 S CA 2.144 60.325 58.200 -0.032 0.000 1.068 720 S CB -0.725 62.578 63.200 0.171 0.000 0.918 720 S HN 0.404 nan 8.310 nan 0.000 0.448 721 K N 1.553 121.966 120.400 0.022 0.000 2.152 721 K HA -0.033 3.792 4.320 -0.825 0.000 0.206 721 K C 2.237 178.848 176.600 0.017 0.000 1.048 721 K CA 1.202 57.507 56.287 0.030 0.000 0.933 721 K CB -0.609 31.896 32.500 0.008 0.000 0.721 721 K HN 0.532 nan 8.250 nan 0.000 0.447 722 A N 0.718 123.523 122.820 -0.025 0.000 1.970 722 A HA -0.007 3.817 4.320 -0.825 0.000 0.216 722 A C 1.950 179.511 177.584 -0.037 0.000 1.170 722 A CA 0.752 52.766 52.037 -0.038 0.000 0.645 722 A CB -0.298 18.656 19.000 -0.076 0.000 0.816 722 A HN 0.296 nan 8.150 nan 0.000 0.447 723 L N -0.441 120.746 121.223 -0.060 0.000 2.376 723 L HA -0.066 3.779 4.340 -0.825 0.000 0.219 723 L C 2.110 179.076 176.870 0.161 0.000 1.133 723 L CA 0.413 55.253 54.840 -0.001 0.000 0.816 723 L CB -0.104 41.880 42.059 -0.124 0.000 0.933 723 L HN 0.242 nan 8.230 nan 0.000 0.449 724 V N -0.875 119.130 119.914 0.152 0.000 2.649 724 V HA -0.141 3.484 4.120 -0.825 0.000 0.248 724 V C 1.588 177.727 176.094 0.075 0.000 1.054 724 V CA 1.245 63.621 62.300 0.128 0.000 1.073 724 V CB -0.229 31.657 31.823 0.106 0.000 0.699 724 V HN 0.379 nan 8.190 nan 0.000 0.463 725 D N 0.483 120.916 120.400 0.055 0.000 2.363 725 D HA -0.039 4.106 4.640 -0.825 0.000 0.220 725 D C 1.748 178.071 176.300 0.040 0.000 0.994 725 D CA 1.240 55.263 54.000 0.039 0.000 0.890 725 D CB 0.438 41.253 40.800 0.026 0.000 0.906 725 D HN 0.559 nan 8.370 nan 0.000 0.530 726 V N -3.982 115.962 119.914 0.050 0.000 3.643 726 V HA 0.505 4.130 4.120 -0.825 0.000 0.280 726 V C 1.431 177.565 176.094 0.067 0.000 1.351 726 V CA 0.470 62.802 62.300 0.053 0.000 1.073 726 V CB 0.266 32.121 31.823 0.053 0.000 0.863 726 V HN 0.131 nan 8.190 nan 0.000 0.436 727 G N 0.717 109.564 108.800 0.078 0.000 2.141 727 G HA2 -0.184 3.280 3.960 -0.825 0.000 0.242 727 G HA3 -0.184 3.280 3.960 -0.825 0.000 0.242 727 G C 0.159 175.127 174.900 0.113 0.000 0.982 727 G CA 0.384 45.533 45.100 0.082 0.000 0.662 727 G HN 1.690 nan 8.290 nan 0.000 0.527 728 V N -0.216 119.793 119.914 0.159 0.000 2.546 728 V HA 0.710 4.335 4.120 -0.825 0.000 0.284 728 V C 0.183 176.441 176.094 0.273 0.000 1.050 728 V CA -0.091 62.339 62.300 0.217 0.000 0.981 728 V CB 1.750 33.736 31.823 0.272 0.000 0.990 728 V HN 0.340 nan 8.190 nan 0.000 0.474 729 D N 4.506 125.039 120.400 0.221 0.000 2.253 729 D HA 0.688 4.833 4.640 -0.825 0.000 0.249 729 D C -0.516 175.955 176.300 0.284 0.000 1.049 729 D CA -0.024 54.053 54.000 0.129 0.000 0.929 729 D CB 1.322 42.159 40.800 0.061 0.000 1.176 729 D HN 0.688 nan 8.370 nan 0.000 0.437 730 F N -0.637 119.386 119.950 0.121 0.000 3.052 730 F HA 0.478 4.502 4.527 -0.838 0.000 0.323 730 F C -1.561 174.281 175.800 0.069 0.000 1.178 730 F CA -1.070 57.018 58.000 0.147 0.000 0.892 730 F CB 0.597 39.720 39.000 0.205 0.000 1.416 730 F HN 0.129 nan 8.300 nan 0.000 0.488 731 Q N 1.213 121.155 119.800 0.237 0.000 2.241 731 Q HA 0.880 4.724 4.340 -0.825 0.000 0.262 731 Q C -0.876 175.200 176.000 0.127 0.000 1.014 731 Q CA -0.793 55.043 55.803 0.056 0.000 0.885 731 Q CB 2.063 30.838 28.738 0.062 0.000 1.311 731 Q HN 1.124 nan 8.270 nan 0.000 0.461 732 A N 0.780 123.619 122.820 0.032 0.000 2.601 732 A HA 0.825 4.650 4.320 -0.825 0.000 0.291 732 A C -1.630 175.941 177.584 -0.020 0.000 1.075 732 A CA -0.495 51.581 52.037 0.064 0.000 0.671 732 A CB 1.952 21.076 19.000 0.206 0.000 1.277 732 A HN 0.628 nan 8.150 nan 0.000 0.417 733 M N 0.462 120.049 119.600 -0.022 0.000 2.342 733 M HA 0.572 4.557 4.480 -0.825 0.000 0.276 733 M C -2.170 174.109 176.300 -0.035 0.000 1.054 733 M CA -0.269 54.896 55.300 -0.226 0.000 0.930 733 M CB 0.874 33.267 32.600 -0.345 0.000 1.929 733 M HN 1.266 nan 8.290 nan 0.000 0.492 734 W N 3.543 124.774 121.300 -0.114 0.000 2.576 734 W HA 0.828 5.126 4.660 -0.603 0.000 0.360 734 W C -1.925 174.438 176.519 -0.260 0.000 1.109 734 W CA -0.846 56.514 57.345 0.026 0.000 1.237 734 W CB 0.466 29.955 29.460 0.049 0.000 1.369 734 W HN 0.618 nan 8.180 nan 0.000 0.609 735 Y N 1.497 121.974 120.300 0.295 0.000 2.488 735 Y HA 0.280 4.333 4.550 -0.829 0.000 0.330 735 Y C 0.366 176.383 175.900 0.195 0.000 1.013 735 Y CA -1.111 57.069 58.100 0.133 0.000 1.304 735 Y CB 1.416 39.923 38.460 0.079 0.000 1.098 735 Y HN 0.428 nan 8.280 nan 0.000 0.498 736 T N 4.568 119.264 114.554 0.237 0.000 2.849 736 T HA -0.067 3.788 4.350 -0.825 0.000 0.289 736 T C 0.255 175.027 174.700 0.120 0.000 1.010 736 T CA 1.018 63.194 62.100 0.126 0.000 1.161 736 T CB -0.146 68.731 68.868 0.015 0.000 0.989 736 T HN 0.718 nan 8.240 nan 0.000 0.523 737 D N 0.981 121.439 120.400 0.096 0.000 3.070 737 D HA -0.129 4.015 4.640 -0.825 0.000 0.220 737 D C 0.378 176.849 176.300 0.285 0.000 1.176 737 D CA 1.155 55.214 54.000 0.098 0.000 0.924 737 D CB -0.374 40.321 40.800 -0.176 0.000 1.124 737 D HN 0.545 nan 8.370 nan 0.000 0.411 738 E N 0.659 121.026 120.200 0.279 0.000 2.318 738 E HA 0.396 4.251 4.350 -0.825 0.000 0.265 738 E C 0.747 177.536 176.600 0.314 0.000 1.069 738 E CA -0.281 56.298 56.400 0.299 0.000 0.893 738 E CB 1.018 30.892 29.700 0.290 0.000 1.076 738 E HN 0.351 nan 8.360 nan 0.000 0.414 739 D N -1.259 119.337 120.400 0.326 0.000 2.541 739 D HA 0.036 4.180 4.640 -0.825 0.000 0.276 739 D C 0.879 177.419 176.300 0.401 0.000 1.190 739 D CA -0.343 53.869 54.000 0.353 0.000 1.095 739 D CB -0.143 40.889 40.800 0.386 0.000 1.173 739 D HN 0.411 nan 8.370 nan 0.000 0.604 740 H N -1.792 117.482 119.070 0.339 0.000 2.568 740 H HA 0.159 4.216 4.556 -0.831 0.000 0.281 740 H C 1.600 177.217 175.328 0.482 0.000 1.028 740 H CA 1.449 57.734 56.048 0.395 0.000 1.199 740 H CB -0.270 29.712 29.762 0.366 0.000 1.352 740 H HN 0.459 nan 8.280 nan 0.000 0.605 741 G N -0.734 108.288 108.800 0.369 0.000 2.784 741 G HA2 0.071 3.536 3.960 -0.825 0.000 0.208 741 G HA3 0.071 3.536 3.960 -0.825 0.000 0.208 741 G C 0.710 175.840 174.900 0.384 0.000 1.120 741 G CA 0.221 45.502 45.100 0.303 0.000 0.774 741 G HN 0.462 nan 8.290 nan 0.000 0.528 742 I N 0.434 121.205 120.570 0.334 0.000 6.450 742 I HA -0.340 3.335 4.170 -0.825 0.000 0.126 742 I C 1.815 178.083 176.117 0.253 0.000 1.777 742 I CA 0.141 61.588 61.300 0.245 0.000 2.236 742 I CB -1.172 36.930 38.000 0.170 0.000 3.397 742 I HN 0.275 nan 8.210 nan 0.000 0.226 743 A N 0.450 123.393 122.820 0.205 0.000 2.178 743 A HA 0.137 3.962 4.320 -0.825 0.000 0.211 743 A C 1.337 178.980 177.584 0.099 0.000 1.157 743 A CA 0.757 52.865 52.037 0.117 0.000 0.780 743 A CB -0.039 19.003 19.000 0.071 0.000 0.828 743 A HN 0.657 nan 8.150 nan 0.000 0.476 744 S N -0.004 115.781 115.700 0.143 0.000 2.558 744 S HA 0.125 4.100 4.470 -0.825 0.000 0.288 744 S C 1.125 175.804 174.600 0.133 0.000 1.318 744 S CA 0.272 58.549 58.200 0.129 0.000 1.056 744 S CB 1.002 64.291 63.200 0.149 0.000 0.853 744 S HN 0.464 nan 8.310 nan 0.000 0.505 745 S N 2.730 118.489 115.700 0.097 0.000 2.392 745 S HA -0.227 3.747 4.470 -0.825 0.000 0.225 745 S C 2.280 176.971 174.600 0.151 0.000 1.041 745 S CA 2.505 60.767 58.200 0.104 0.000 1.100 745 S CB -1.680 61.556 63.200 0.059 0.000 1.029 745 S HN 1.107 nan 8.310 nan 0.000 0.424 746 T N 0.363 114.991 114.554 0.124 0.000 2.665 746 T HA -0.063 3.792 4.350 -0.825 0.000 0.268 746 T C 1.919 176.729 174.700 0.183 0.000 1.035 746 T CA 1.816 63.995 62.100 0.132 0.000 1.151 746 T CB -1.145 67.783 68.868 0.101 0.000 0.862 746 T HN 0.548 nan 8.240 nan 0.000 0.438 747 A N 0.829 123.759 122.820 0.184 0.000 2.067 747 A HA -0.032 3.793 4.320 -0.825 0.000 0.219 747 A C 2.130 179.797 177.584 0.138 0.000 1.158 747 A CA 1.872 54.028 52.037 0.199 0.000 0.661 747 A CB -0.980 18.134 19.000 0.189 0.000 0.801 747 A HN 0.807 nan 8.150 nan 0.000 0.452 748 H N -0.324 118.806 119.070 0.100 0.000 2.317 748 H HA 0.015 4.075 4.556 -0.827 0.000 0.304 748 H C 2.066 177.509 175.328 0.190 0.000 1.067 748 H CA 1.994 58.127 56.048 0.141 0.000 1.352 748 H CB -0.216 29.596 29.762 0.082 0.000 1.398 748 H HN 0.515 nan 8.280 nan 0.000 0.510 749 Q N -0.774 119.046 119.800 0.034 0.000 2.170 749 Q HA -0.187 3.658 4.340 -0.825 0.000 0.203 749 Q C 2.085 178.112 176.000 0.045 0.000 0.976 749 Q CA 1.392 57.175 55.803 -0.034 0.000 0.858 749 Q CB -0.134 28.623 28.738 0.031 0.000 0.907 749 Q HN 0.601 nan 8.270 nan 0.000 0.433 750 H N 0.761 119.857 119.070 0.043 0.000 2.363 750 H HA -0.034 4.029 4.556 -0.822 0.000 0.301 750 H C 1.900 177.276 175.328 0.080 0.000 1.074 750 H CA 1.148 57.252 56.048 0.092 0.000 1.354 750 H CB 0.031 29.892 29.762 0.166 0.000 1.397 750 H HN 0.290 nan 8.280 nan 0.000 0.516 751 I N 0.037 120.682 120.570 0.124 0.000 2.676 751 I HA -0.259 3.416 4.170 -0.825 0.000 0.259 751 I C 1.356 177.255 176.117 -0.363 0.000 1.194 751 I CA 0.884 62.111 61.300 -0.121 0.000 1.473 751 I CB -0.173 37.548 38.000 -0.466 0.000 1.096 751 I HN 0.128 nan 8.210 nan 0.000 0.443 752 Y N 0.214 120.338 120.300 -0.293 0.000 2.343 752 Y HA -0.079 3.977 4.550 -0.823 0.000 0.294 752 Y C 2.625 178.365 175.900 -0.266 0.000 1.122 752 Y CA 1.389 59.215 58.100 -0.456 0.000 1.173 752 Y CB -0.401 37.788 38.460 -0.453 0.000 1.077 752 Y HN 0.012 nan 8.280 nan 0.000 0.542 753 T N -1.255 113.263 114.554 -0.060 0.000 2.833 753 T HA -0.235 3.620 4.350 -0.825 0.000 0.269 753 T C 1.468 176.102 174.700 -0.111 0.000 1.054 753 T CA 1.944 63.974 62.100 -0.117 0.000 1.135 753 T CB -0.336 68.478 68.868 -0.091 0.000 0.869 753 T HN 0.398 nan 8.240 nan 0.000 0.466 754 H N 0.405 119.386 119.070 -0.149 0.000 2.343 754 H HA 0.205 4.269 4.556 -0.820 0.000 0.303 754 H C 2.203 177.522 175.328 -0.016 0.000 1.068 754 H CA 1.358 57.382 56.048 -0.040 0.000 1.359 754 H CB -0.172 29.555 29.762 -0.058 0.000 1.402 754 H HN 0.235 nan 8.280 nan 0.000 0.515 755 M N -0.602 118.939 119.600 -0.099 0.000 2.065 755 M HA -0.207 3.778 4.480 -0.825 0.000 0.259 755 M C 2.455 178.836 176.300 0.135 0.000 1.069 755 M CA 1.858 57.072 55.300 -0.143 0.000 1.110 755 M CB -0.137 32.093 32.600 -0.616 0.000 1.328 755 M HN 0.198 nan 8.290 nan 0.000 0.405 756 S N -0.549 115.297 115.700 0.243 0.000 2.368 756 S HA -0.216 3.759 4.470 -0.825 0.000 0.226 756 S C 1.708 176.388 174.600 0.133 0.000 1.044 756 S CA 1.366 59.782 58.200 0.360 0.000 1.062 756 S CB -0.812 62.604 63.200 0.360 0.000 0.931 756 S HN 0.452 nan 8.310 nan 0.000 0.440 757 H N -0.306 118.830 119.070 0.111 0.000 2.390 757 H HA -0.072 3.988 4.556 -0.827 0.000 0.298 757 H C 1.922 177.245 175.328 -0.008 0.000 1.106 757 H CA 1.330 57.389 56.048 0.019 0.000 1.297 757 H CB -0.704 29.023 29.762 -0.058 0.000 1.375 757 H HN 0.485 nan 8.280 nan 0.000 0.509 758 F N 0.854 120.782 119.950 -0.037 0.000 2.234 758 F HA -0.130 3.905 4.527 -0.819 0.000 0.299 758 F C 2.123 177.865 175.800 -0.096 0.000 1.087 758 F CA 0.600 58.547 58.000 -0.088 0.000 1.340 758 F CB -0.091 38.838 39.000 -0.118 0.000 1.031 758 F HN -0.035 nan 8.300 nan 0.000 0.500 759 I N 0.441 120.996 120.570 -0.026 0.000 2.235 759 I HA -0.212 3.463 4.170 -0.825 0.000 0.241 759 I C 2.240 178.153 176.117 -0.340 0.000 1.085 759 I CA 1.263 62.387 61.300 -0.293 0.000 1.378 759 I CB -1.304 36.597 38.000 -0.165 0.000 1.076 759 I HN 0.104 nan 8.210 nan 0.000 0.415 760 K N 0.401 120.744 120.400 -0.095 0.000 2.113 760 K HA -0.248 3.577 4.320 -0.825 0.000 0.208 760 K C 2.133 178.714 176.600 -0.032 0.000 1.047 760 K CA 1.379 57.665 56.287 -0.001 0.000 0.928 760 K CB -0.212 32.341 32.500 0.089 0.000 0.716 760 K HN 0.295 nan 8.250 nan 0.000 0.446 761 Q N 1.010 120.754 119.800 -0.094 0.000 2.124 761 Q HA -0.196 3.649 4.340 -0.825 0.000 0.202 761 Q C 2.215 178.118 176.000 -0.163 0.000 0.977 761 Q CA 1.725 57.458 55.803 -0.117 0.000 0.850 761 Q CB -0.523 28.125 28.738 -0.151 0.000 0.901 761 Q HN 0.437 nan 8.270 nan 0.000 0.429 762 c N 0.026 118.437 118.600 -0.315 0.000 2.457 762 c HA -0.023 4.052 4.570 -0.825 0.000 0.278 762 c C 2.201 176.298 174.090 0.011 0.000 1.309 762 c CA 0.260 56.417 56.329 -0.287 0.000 1.735 762 c CB -1.245 40.932 42.510 -0.555 0.000 1.992 762 c HN 0.506 nan 8.230 nan 0.000 0.493 763 F N 1.735 121.644 119.950 -0.068 0.000 2.765 763 F HA 0.229 4.262 4.527 -0.823 0.000 0.302 763 F C 1.722 177.502 175.800 -0.034 0.000 1.111 763 F CA 0.603 58.580 58.000 -0.038 0.000 1.359 763 F CB -1.034 37.951 39.000 -0.025 0.000 1.097 763 F HN 0.273 nan 8.300 nan 0.000 0.577 764 S N 0.363 116.140 115.700 0.128 0.000 3.672 764 S HA -0.186 3.788 4.470 -0.825 0.000 0.319 764 S C 0.054 174.693 174.600 0.064 0.000 1.151 764 S CA -0.007 58.232 58.200 0.065 0.000 0.911 764 S CB -2.409 60.820 63.200 0.048 0.000 0.939 764 S HN 0.229 nan 8.310 nan 0.000 0.524 765 L N 0.965 122.240 121.223 0.087 0.000 2.350 765 L HA 0.489 4.333 4.340 -0.825 0.000 0.275 765 L C -1.363 175.546 176.870 0.064 0.000 1.099 765 L CA -1.963 52.923 54.840 0.076 0.000 0.808 765 L CB 0.015 42.135 42.059 0.101 0.000 1.149 765 L HN -0.003 nan 8.230 nan 0.000 0.442 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.132 63.100 0.054 0.000 0.800 766 P CB 0.000 31.725 31.700 0.041 0.000 0.726