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 3bjm_1_A DATA FIRST_RESID 39 DATA SEQUENCE SRKTYTLTDY LKNTYRLKLY SLRWISDHEY LYKQENNILV FNAEYGNSSV DATA SEQUENCE FLENSTFDEF GHSINDYSIS PDGQFILLEY NYVKQWRHSY TASYDIYDLN DATA SEQUENCE KRQLITEERI PNNTQWVTWS PVGHKLAYVW NNDIYVKIEP NLPSYRITWT DATA SEQUENCE GKEDIIYNGI TDWVYEEEVF SAYSALWWSP NGTFLAYAQF NDTEVPLIEY DATA SEQUENCE SFYSDESLQY PKTVRVPYPK AGAVNPTVKF FVVNTDSLSS VTNATSIQIT DATA SEQUENCE APASMLIGDH YLCDVTWATQ ERISLQWLRR IQNYSVMDIc DYDESSGRWN DATA SEQUENCE cLVARQHIEM STTGWVGRFR PSEPHFTLDG NSFYKIISNE EGYRHIcYFQ DATA SEQUENCE IDKKDcTFIT KGTWEVIGIE ALTSDYLYYI SNEYKGMPGG RNLYKIQLSD DATA SEQUENCE YTKVTCLSCE LNPERcQYYS VSFSKEAKYY QLRcSGPGLP LYTLHSSVND DATA SEQUENCE KGLRVLEDNS ALDKMLQNVQ MPSKKLDFII LNETKFWYQM ILPPHFDKSK DATA SEQUENCE KYPLLLDVYA GPCSQKADTV FRLNWATYLA STENIIVASF DGRGSGYQGD DATA SEQUENCE KIMHAINRRL GTFEVEDQIE AARQFSKMGF VDNKRIAIWG WSYGGYVTSM DATA SEQUENCE VLGSGSGVFK cGIAVAPVSR WEYYDSVYTE RYMGLPTPED NLDHYRNSTV DATA SEQUENCE MSRAENFKQV EYLLIHGTAD DNVHFQQSAQ ISKALVDVGV DFQAMWYTDE DATA SEQUENCE DHGIASSTAH QHIYTHMSHF IKQcFSLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 39 S HA 0.000 nan 4.470 nan 0.000 0.327 39 S C 0.000 174.649 174.600 0.082 0.000 1.055 39 S CA 0.000 58.249 58.200 0.082 0.000 1.107 39 S CB 0.000 63.244 63.200 0.073 0.000 0.593 40 R N 2.105 122.661 120.500 0.093 0.000 3.471 40 R HA -0.259 4.080 4.340 -0.002 0.000 0.317 40 R C -0.148 176.204 176.300 0.086 0.000 0.656 40 R CA 2.276 58.425 56.100 0.081 0.000 1.624 40 R CB -1.896 28.443 30.300 0.064 0.000 1.657 40 R HN 0.562 nan 8.270 nan 0.000 0.468 41 K N 1.117 121.571 120.400 0.090 0.000 2.156 41 K HA 0.548 4.867 4.320 -0.002 0.000 0.250 41 K C -0.540 176.123 176.600 0.104 0.000 0.955 41 K CA -0.140 56.206 56.287 0.099 0.000 0.855 41 K CB 2.049 34.614 32.500 0.108 0.000 1.101 41 K HN 0.276 nan 8.250 nan 0.000 0.434 42 T N -1.218 113.407 114.554 0.118 0.000 2.926 42 T HA 0.233 4.582 4.350 -0.002 0.000 0.289 42 T C -0.944 173.869 174.700 0.187 0.000 1.054 42 T CA -0.768 61.411 62.100 0.131 0.000 1.015 42 T CB 0.662 69.601 68.868 0.118 0.000 1.167 42 T HN 0.563 nan 8.240 nan 0.000 0.526 43 Y N 2.725 123.071 120.300 0.078 0.000 2.486 43 Y HA 0.396 4.945 4.550 -0.002 0.000 0.348 43 Y C 0.851 176.899 175.900 0.247 0.000 1.000 43 Y CA -0.162 58.018 58.100 0.134 0.000 1.253 43 Y CB -0.044 38.452 38.460 0.060 0.000 1.140 43 Y HN 0.992 nan 8.280 nan 0.000 0.526 44 T N 2.797 117.325 114.554 -0.044 0.000 2.927 44 T HA 0.166 4.514 4.350 -0.002 0.000 0.281 44 T C 0.962 175.628 174.700 -0.057 0.000 0.998 44 T CA -0.828 61.344 62.100 0.121 0.000 1.019 44 T CB 1.416 70.320 68.868 0.059 0.000 1.061 44 T HN 0.701 nan 8.240 nan 0.000 0.518 45 L N 1.498 122.548 121.223 -0.287 0.000 2.043 45 L HA -0.059 4.280 4.340 -0.002 0.000 0.212 45 L C 2.557 179.305 176.870 -0.204 0.000 1.075 45 L CA 2.265 56.754 54.840 -0.584 0.000 0.752 45 L CB -1.497 40.070 42.059 -0.820 0.000 0.891 45 L HN 0.967 nan 8.230 nan 0.000 0.432 46 T N -0.661 113.802 114.554 -0.151 0.000 2.788 46 T HA -0.163 4.186 4.350 -0.002 0.000 0.268 46 T C 1.507 176.140 174.700 -0.112 0.000 1.044 46 T CA 1.426 63.465 62.100 -0.103 0.000 1.139 46 T CB -0.411 68.417 68.868 -0.066 0.000 0.867 46 T HN 0.426 nan 8.240 nan 0.000 0.454 47 D N 0.138 120.438 120.400 -0.167 0.000 2.097 47 D HA -0.092 4.547 4.640 -0.002 0.000 0.195 47 D C 1.771 178.004 176.300 -0.112 0.000 0.989 47 D CA 1.042 54.922 54.000 -0.200 0.000 0.827 47 D CB -0.414 40.153 40.800 -0.389 0.000 0.966 47 D HN 0.392 nan 8.370 nan 0.000 0.456 48 Y N 1.473 121.615 120.300 -0.264 0.000 2.089 48 Y HA -0.206 4.343 4.550 -0.002 0.000 0.282 48 Y C 2.126 178.035 175.900 0.016 0.000 1.139 48 Y CA 1.138 59.255 58.100 0.028 0.000 1.123 48 Y CB -0.675 37.844 38.460 0.099 0.000 0.980 48 Y HN -0.147 nan 8.280 nan 0.000 0.493 49 L N 0.494 121.591 121.223 -0.209 0.000 2.127 49 L HA -0.197 4.142 4.340 -0.002 0.000 0.211 49 L C 1.880 178.652 176.870 -0.163 0.000 1.089 49 L CA 1.791 56.468 54.840 -0.271 0.000 0.757 49 L CB -0.625 41.345 42.059 -0.149 0.000 0.899 49 L HN 0.172 nan 8.230 nan 0.000 0.434 50 K N -0.990 119.342 120.400 -0.114 0.000 2.374 50 K HA 0.212 4.531 4.320 -0.002 0.000 0.202 50 K C 0.015 176.576 176.600 -0.064 0.000 1.040 50 K CA -0.179 56.061 56.287 -0.079 0.000 1.085 50 K CB 0.226 32.685 32.500 -0.069 0.000 0.873 50 K HN 0.206 nan 8.250 nan 0.000 0.539 51 N N 1.565 120.240 118.700 -0.043 0.000 2.738 51 N HA -0.143 4.596 4.740 -0.002 0.000 0.249 51 N C 0.410 175.913 175.510 -0.012 0.000 1.047 51 N CA 0.937 53.997 53.050 0.017 0.000 0.707 51 N CB -1.335 37.152 38.487 0.001 0.000 0.937 51 N HN 0.160 nan 8.380 nan 0.000 0.545 52 T N -1.091 113.417 114.554 -0.076 0.000 2.720 52 T HA -0.173 4.176 4.350 -0.002 0.000 0.268 52 T C 0.517 174.988 174.700 -0.381 0.000 1.037 52 T CA 1.434 63.349 62.100 -0.307 0.000 1.144 52 T CB -0.099 68.446 68.868 -0.538 0.000 0.864 52 T HN 0.378 nan 8.240 nan 0.000 0.444 53 Y N 1.542 121.929 120.300 0.144 0.000 2.402 53 Y HA 0.492 5.041 4.550 -0.002 0.000 0.332 53 Y C 0.341 176.342 175.900 0.169 0.000 0.960 53 Y CA -1.110 57.092 58.100 0.170 0.000 1.228 53 Y CB 0.643 39.250 38.460 0.245 0.000 1.120 53 Y HN -0.139 nan 8.280 nan 0.000 0.491 54 R N 3.205 123.841 120.500 0.226 0.000 2.368 54 R HA 0.541 4.880 4.340 -0.002 0.000 0.302 54 R C -0.898 175.511 176.300 0.182 0.000 1.002 54 R CA -0.908 55.297 56.100 0.175 0.000 0.929 54 R CB 1.430 31.791 30.300 0.102 0.000 1.073 54 R HN 0.602 nan 8.270 nan 0.000 0.464 55 L N 3.116 124.449 121.223 0.184 0.000 2.367 55 L HA 0.198 4.537 4.340 -0.002 0.000 0.275 55 L C 0.419 177.369 176.870 0.133 0.000 1.129 55 L CA 0.067 55.011 54.840 0.174 0.000 0.839 55 L CB 0.386 42.566 42.059 0.201 0.000 1.133 55 L HN 0.371 nan 8.230 nan 0.000 0.453 56 K N 3.718 124.191 120.400 0.122 0.000 2.144 56 K HA 0.640 4.959 4.320 -0.002 0.000 0.270 56 K C -0.646 175.998 176.600 0.072 0.000 1.005 56 K CA -0.469 55.868 56.287 0.084 0.000 0.932 56 K CB 1.204 33.750 32.500 0.076 0.000 1.021 56 K HN 0.383 nan 8.250 nan 0.000 0.462 57 L N 0.865 122.061 121.223 -0.044 0.000 2.235 57 L HA 0.507 4.846 4.340 -0.002 0.000 0.260 57 L C -0.956 175.640 176.870 -0.456 0.000 1.025 57 L CA -1.129 53.550 54.840 -0.269 0.000 0.836 57 L CB 0.760 42.769 42.059 -0.082 0.000 1.395 57 L HN 0.525 nan 8.230 nan 0.000 0.443 58 Y N 0.227 119.962 120.300 -0.941 0.000 2.563 58 Y HA 0.347 4.896 4.550 -0.002 0.000 0.351 58 Y C -0.686 175.037 175.900 -0.295 0.000 1.087 58 Y CA -0.442 57.331 58.100 -0.546 0.000 1.272 58 Y CB 1.336 39.335 38.460 -0.768 0.000 1.095 58 Y HN 0.443 nan 8.280 nan 0.000 0.620 59 S N 6.321 121.926 115.700 -0.159 0.000 2.416 59 S HA 0.494 4.963 4.470 -0.002 0.000 0.287 59 S C -0.504 174.027 174.600 -0.115 0.000 1.139 59 S CA -0.546 57.599 58.200 -0.091 0.000 1.058 59 S CB 0.056 63.217 63.200 -0.064 0.000 0.967 59 S HN 0.534 nan 8.310 nan 0.000 0.495 60 L N 1.596 122.715 121.223 -0.173 0.000 2.303 60 L HA 0.748 5.087 4.340 -0.002 0.000 0.266 60 L C -0.489 176.275 176.870 -0.178 0.000 1.011 60 L CA -1.052 53.647 54.840 -0.235 0.000 0.818 60 L CB 0.919 42.580 42.059 -0.664 0.000 1.326 60 L HN 0.455 nan 8.230 nan 0.000 0.435 61 R N 0.571 121.010 120.500 -0.101 0.000 2.480 61 R HA 0.446 4.785 4.340 -0.002 0.000 0.306 61 R C -1.550 174.777 176.300 0.045 0.000 0.958 61 R CA -0.337 55.766 56.100 0.005 0.000 0.861 61 R CB 1.680 32.025 30.300 0.076 0.000 1.171 61 R HN 0.614 nan 8.270 nan 0.000 0.445 62 W N 4.295 125.687 121.300 0.153 0.000 2.253 62 W HA 0.171 4.830 4.660 -0.002 0.000 0.322 62 W C 1.423 178.024 176.519 0.136 0.000 1.342 62 W CA -0.462 56.992 57.345 0.181 0.000 1.218 62 W CB 0.494 30.064 29.460 0.183 0.000 1.205 62 W HN 0.647 nan 8.180 nan 0.000 0.551 63 I N 0.660 121.444 120.570 0.356 0.000 4.025 63 I HA 0.362 4.530 4.170 -0.002 0.000 0.336 63 I C 0.529 176.766 176.117 0.199 0.000 1.390 63 I CA -0.140 61.282 61.300 0.202 0.000 1.099 63 I CB -0.317 37.730 38.000 0.079 0.000 1.049 63 I HN 0.285 nan 8.210 nan 0.000 0.394 64 S N 0.334 116.201 115.700 0.279 0.000 2.715 64 S HA 0.128 4.597 4.470 -0.002 0.000 0.284 64 S C -0.134 174.633 174.600 0.278 0.000 1.216 64 S CA 0.055 58.401 58.200 0.243 0.000 0.970 64 S CB 0.465 63.797 63.200 0.220 0.000 1.273 64 S HN 0.237 nan 8.310 nan 0.000 0.509 65 D N 0.596 121.176 120.400 0.300 0.000 2.317 65 D HA -0.019 4.620 4.640 -0.002 0.000 0.211 65 D C 1.135 177.692 176.300 0.428 0.000 0.966 65 D CA 1.723 55.883 54.000 0.267 0.000 0.876 65 D CB -0.580 40.351 40.800 0.218 0.000 0.927 65 D HN 0.848 nan 8.370 nan 0.000 0.519 66 H N -1.833 117.402 119.070 0.274 0.000 3.480 66 H HA 0.425 4.980 4.556 -0.002 0.000 0.257 66 H C -0.536 174.943 175.328 0.252 0.000 1.196 66 H CA -0.434 55.758 56.048 0.241 0.000 1.100 66 H CB -0.064 29.809 29.762 0.185 0.000 1.683 66 H HN 0.035 nan 8.280 nan 0.000 0.702 67 E N 0.936 121.174 120.200 0.063 0.000 2.312 67 E HA 0.451 4.800 4.350 -0.002 0.000 0.267 67 E C -1.469 175.288 176.600 0.261 0.000 0.894 67 E CA -1.246 55.145 56.400 -0.016 0.000 0.773 67 E CB 2.935 32.504 29.700 -0.218 0.000 1.241 67 E HN 0.280 nan 8.360 nan 0.000 0.432 68 Y N -0.951 119.355 120.300 0.011 0.000 2.588 68 Y HA 0.585 5.134 4.550 -0.002 0.000 0.343 68 Y C -1.694 174.179 175.900 -0.044 0.000 1.065 68 Y CA -1.329 56.690 58.100 -0.135 0.000 1.038 68 Y CB 0.799 38.863 38.460 -0.660 0.000 1.297 68 Y HN 0.321 nan 8.280 nan 0.000 0.467 69 L N 3.470 124.804 121.223 0.185 0.000 2.309 69 L HA 0.498 4.837 4.340 -0.002 0.000 0.282 69 L C -1.309 175.713 176.870 0.254 0.000 1.036 69 L CA -0.930 53.993 54.840 0.139 0.000 0.806 69 L CB 1.461 43.506 42.059 -0.023 0.000 1.220 69 L HN 0.799 nan 8.230 nan 0.000 0.429 70 Y N 3.403 123.766 120.300 0.105 0.000 2.396 70 Y HA 0.337 4.886 4.550 -0.002 0.000 0.332 70 Y C -0.863 175.038 175.900 0.001 0.000 1.034 70 Y CA -1.393 56.677 58.100 -0.050 0.000 1.057 70 Y CB 1.458 39.786 38.460 -0.220 0.000 1.220 70 Y HN 0.539 nan 8.280 nan 0.000 0.440 71 K N 5.433 125.482 120.400 -0.587 0.000 2.234 71 K HA 0.453 4.772 4.320 -0.002 0.000 0.277 71 K C -1.141 175.050 176.600 -0.682 0.000 1.038 71 K CA -0.759 55.265 56.287 -0.439 0.000 0.888 71 K CB 1.830 34.201 32.500 -0.215 0.000 1.091 71 K HN 0.749 nan 8.250 nan 0.000 0.467 72 Q N 3.031 122.619 119.800 -0.354 0.000 2.330 72 Q HA 0.129 4.468 4.340 -0.002 0.000 0.269 72 Q C -0.912 175.023 176.000 -0.108 0.000 1.022 72 Q CA -0.209 55.465 55.803 -0.215 0.000 0.796 72 Q CB 1.182 29.929 28.738 0.015 0.000 1.271 72 Q HN 0.873 nan 8.270 nan 0.000 0.450 73 E N 2.107 122.253 120.200 -0.090 0.000 3.132 73 E HA -0.296 4.053 4.350 -0.002 0.000 0.362 73 E C -0.467 176.085 176.600 -0.081 0.000 1.473 73 E CA 2.105 58.466 56.400 -0.066 0.000 1.471 73 E CB -0.814 28.860 29.700 -0.044 0.000 1.727 73 E HN 0.815 nan 8.360 nan 0.000 0.509 74 N N 0.998 119.657 118.700 -0.069 0.000 2.235 74 N HA 0.191 4.930 4.740 -0.002 0.000 0.231 74 N C -0.960 174.498 175.510 -0.087 0.000 1.177 74 N CA -0.061 52.948 53.050 -0.069 0.000 0.874 74 N CB 0.154 38.614 38.487 -0.046 0.000 1.097 74 N HN 0.167 nan 8.380 nan 0.000 0.518 75 N N 0.803 119.450 118.700 -0.088 0.000 2.518 75 N HA 0.279 5.018 4.740 -0.002 0.000 0.283 75 N C -0.245 175.208 175.510 -0.094 0.000 1.119 75 N CA -0.114 52.885 53.050 -0.085 0.000 0.983 75 N CB 1.807 40.259 38.487 -0.058 0.000 1.139 75 N HN 0.047 nan 8.380 nan 0.000 0.465 76 I N 2.939 123.459 120.570 -0.083 0.000 2.304 76 I HA 0.253 4.422 4.170 -0.002 0.000 0.291 76 I C 0.039 176.182 176.117 0.044 0.000 1.018 76 I CA -0.411 60.850 61.300 -0.065 0.000 1.260 76 I CB 0.761 38.682 38.000 -0.133 0.000 1.390 76 I HN 0.194 nan 8.210 nan 0.000 0.475 77 L N 6.872 128.152 121.223 0.095 0.000 2.325 77 L HA 0.560 4.899 4.340 -0.002 0.000 0.278 77 L C -0.296 176.680 176.870 0.177 0.000 1.023 77 L CA -0.908 54.013 54.840 0.135 0.000 0.811 77 L CB 2.198 44.382 42.059 0.208 0.000 1.249 77 L HN 0.320 nan 8.230 nan 0.000 0.431 78 V N 3.092 123.040 119.914 0.056 0.000 2.435 78 V HA 0.496 4.615 4.120 -0.002 0.000 0.290 78 V C -0.892 175.099 176.094 -0.172 0.000 1.030 78 V CA -0.167 62.142 62.300 0.014 0.000 0.881 78 V CB 1.301 33.163 31.823 0.066 0.000 0.983 78 V HN 0.441 nan 8.190 nan 0.000 0.445 79 F N 5.217 124.896 119.950 -0.452 0.000 2.480 79 F HA 0.509 5.035 4.527 -0.002 0.000 0.329 79 F C 0.414 175.900 175.800 -0.524 0.000 1.091 79 F CA -0.649 56.991 58.000 -0.600 0.000 0.972 79 F CB 1.675 39.964 39.000 -1.185 0.000 1.150 79 F HN 0.517 nan 8.300 nan 0.000 0.467 80 N N 1.847 120.459 118.700 -0.147 0.000 2.437 80 N HA 0.310 5.049 4.740 -0.002 0.000 0.259 80 N C 0.372 175.844 175.510 -0.064 0.000 0.983 80 N CA 0.064 53.065 53.050 -0.081 0.000 0.937 80 N CB 1.815 40.329 38.487 0.046 0.000 1.122 80 N HN 0.771 nan 8.380 nan 0.000 0.499 81 A N 3.626 126.369 122.820 -0.129 0.000 1.902 81 A HA -0.174 4.145 4.320 -0.002 0.000 0.217 81 A C 1.862 179.221 177.584 -0.375 0.000 1.181 81 A CA 1.590 53.490 52.037 -0.228 0.000 0.623 81 A CB -0.417 18.336 19.000 -0.411 0.000 0.818 81 A HN 0.788 nan 8.150 nan 0.000 0.443 82 E N -1.091 118.838 120.200 -0.452 0.000 2.072 82 E HA -0.168 4.181 4.350 -0.002 0.000 0.191 82 E C 1.210 177.542 176.600 -0.448 0.000 0.985 82 E CA 1.685 57.810 56.400 -0.458 0.000 0.801 82 E CB -0.348 28.991 29.700 -0.602 0.000 0.750 82 E HN 0.700 nan 8.360 nan 0.000 0.452 83 Y N -1.691 118.609 120.300 0.001 0.000 2.442 83 Y HA 0.379 4.928 4.550 -0.002 0.000 0.250 83 Y C 1.632 177.532 175.900 -0.000 0.000 1.113 83 Y CA 0.245 58.350 58.100 0.008 0.000 1.273 83 Y CB 0.988 39.455 38.460 0.012 0.000 1.138 83 Y HN 0.197 nan 8.280 nan 0.000 0.522 84 G N 0.977 109.841 108.800 0.107 0.000 2.212 84 G HA2 -0.354 3.605 3.960 -0.002 0.000 0.266 84 G HA3 -0.354 3.605 3.960 -0.002 0.000 0.266 84 G C 0.320 175.271 174.900 0.084 0.000 0.978 84 G CA 0.381 45.545 45.100 0.106 0.000 0.632 84 G HN 0.486 nan 8.290 nan 0.000 0.537 85 N N 0.511 119.238 118.700 0.045 0.000 2.467 85 N HA 0.547 5.286 4.740 -0.002 0.000 0.262 85 N C -0.026 175.361 175.510 -0.204 0.000 1.234 85 N CA 0.841 53.857 53.050 -0.056 0.000 0.952 85 N CB 1.494 39.961 38.487 -0.033 0.000 1.158 85 N HN 1.034 nan 8.380 nan 0.000 0.463 86 S N -1.174 114.334 115.700 -0.321 0.000 2.596 86 S HA 0.704 5.173 4.470 -0.002 0.000 0.270 86 S C -1.150 173.241 174.600 -0.350 0.000 1.155 86 S CA -0.830 57.036 58.200 -0.555 0.000 0.827 86 S CB 1.133 63.549 63.200 -1.305 0.000 1.130 86 S HN 0.993 nan 8.310 nan 0.000 0.467 87 S N -0.322 115.197 115.700 -0.301 0.000 2.570 87 S HA 0.679 5.148 4.470 -0.002 0.000 0.270 87 S C -0.867 173.663 174.600 -0.117 0.000 1.149 87 S CA -0.727 57.368 58.200 -0.175 0.000 0.837 87 S CB 1.045 64.173 63.200 -0.119 0.000 1.124 87 S HN 1.846 nan 8.310 nan 0.000 0.465 88 V N 3.086 122.950 119.914 -0.083 0.000 2.479 88 V HA 0.347 4.466 4.120 -0.002 0.000 0.281 88 V C 0.523 176.614 176.094 -0.006 0.000 1.031 88 V CA -0.146 62.131 62.300 -0.038 0.000 1.038 88 V CB -0.029 31.760 31.823 -0.058 0.000 0.981 88 V HN 0.910 nan 8.190 nan 0.000 0.478 89 F N 6.175 126.067 119.950 -0.097 0.000 2.179 89 F HA 0.346 4.872 4.527 -0.002 0.000 0.292 89 F C 0.682 176.420 175.800 -0.103 0.000 1.089 89 F CA 0.915 58.862 58.000 -0.088 0.000 1.295 89 F CB 0.466 39.425 39.000 -0.068 0.000 1.041 89 F HN 0.374 nan 8.300 nan 0.000 0.487 90 L N 1.271 122.564 121.223 0.116 0.000 2.439 90 L HA 0.268 4.607 4.340 -0.002 0.000 0.270 90 L C -0.863 175.941 176.870 -0.109 0.000 0.972 90 L CA -0.652 54.163 54.840 -0.042 0.000 0.836 90 L CB 1.776 43.849 42.059 0.022 0.000 1.255 90 L HN -0.027 nan 8.230 nan 0.000 0.404 91 E N 2.217 122.317 120.200 -0.167 0.000 2.354 91 E HA 0.006 4.355 4.350 -0.002 0.000 0.269 91 E C 0.714 177.201 176.600 -0.189 0.000 1.036 91 E CA -0.411 55.895 56.400 -0.157 0.000 0.876 91 E CB 1.001 30.609 29.700 -0.153 0.000 1.009 91 E HN 0.681 nan 8.360 nan 0.000 0.416 92 N N 1.684 120.303 118.700 -0.135 0.000 2.519 92 N HA -0.191 4.548 4.740 -0.002 0.000 0.186 92 N C 0.903 176.336 175.510 -0.128 0.000 1.062 92 N CA 1.233 54.213 53.050 -0.116 0.000 0.910 92 N CB -0.102 38.338 38.487 -0.077 0.000 0.958 92 N HN 0.255 nan 8.380 nan 0.000 0.445 93 S N -2.656 112.952 115.700 -0.154 0.000 2.583 93 S HA 0.206 4.675 4.470 -0.002 0.000 0.239 93 S C 0.803 175.269 174.600 -0.223 0.000 0.966 93 S CA -0.553 57.562 58.200 -0.141 0.000 0.973 93 S CB -0.342 62.796 63.200 -0.103 0.000 0.794 93 S HN 0.167 nan 8.310 nan 0.000 0.463 94 T N 0.990 115.296 114.554 -0.413 0.000 3.014 94 T HA 0.237 4.586 4.350 -0.002 0.000 0.263 94 T C 0.150 174.412 174.700 -0.730 0.000 1.078 94 T CA 0.726 62.410 62.100 -0.694 0.000 1.135 94 T CB -0.262 67.897 68.868 -1.183 0.000 0.895 94 T HN 0.549 nan 8.240 nan 0.000 0.480 95 F N 1.006 120.891 119.950 -0.109 0.000 2.683 95 F HA 0.348 4.874 4.527 -0.002 0.000 0.306 95 F C 1.213 177.038 175.800 0.041 0.000 1.102 95 F CA -1.338 56.635 58.000 -0.046 0.000 1.244 95 F CB -0.054 38.838 39.000 -0.180 0.000 1.029 95 F HN -0.039 nan 8.300 nan 0.000 0.545 96 D N 0.686 121.146 120.400 0.100 0.000 2.172 96 D HA -0.170 4.469 4.640 -0.002 0.000 0.196 96 D C 1.642 177.999 176.300 0.094 0.000 0.999 96 D CA 1.371 55.417 54.000 0.077 0.000 0.856 96 D CB 0.081 40.890 40.800 0.015 0.000 0.934 96 D HN 0.248 nan 8.370 nan 0.000 0.453 97 E N -0.622 119.644 120.200 0.109 0.000 2.465 97 E HA 0.007 4.356 4.350 -0.002 0.000 0.191 97 E C 1.377 178.048 176.600 0.118 0.000 1.053 97 E CA -0.322 56.127 56.400 0.082 0.000 0.869 97 E CB -0.165 29.571 29.700 0.059 0.000 0.977 97 E HN 0.322 nan 8.360 nan 0.000 0.483 98 F N 1.026 121.011 119.950 0.058 0.000 2.234 98 F HA -0.060 4.466 4.527 -0.002 0.000 0.299 98 F C 1.666 177.420 175.800 -0.078 0.000 1.087 98 F CA 1.977 60.001 58.000 0.040 0.000 1.340 98 F CB 0.207 39.242 39.000 0.058 0.000 1.031 98 F HN 0.167 nan 8.300 nan 0.000 0.500 99 G N -0.983 107.704 108.800 -0.188 0.000 2.475 99 G HA2 -0.269 3.690 3.960 -0.002 0.000 0.209 99 G HA3 -0.269 3.690 3.960 -0.002 0.000 0.209 99 G C 0.027 174.655 174.900 -0.453 0.000 1.127 99 G CA 0.097 44.936 45.100 -0.436 0.000 0.681 99 G HN 0.598 nan 8.290 nan 0.000 0.517 100 H N 0.761 119.645 119.070 -0.310 0.000 2.496 100 H HA 0.702 5.257 4.556 -0.002 0.000 0.342 100 H C 0.413 175.862 175.328 0.202 0.000 1.170 100 H CA 0.246 56.263 56.048 -0.051 0.000 1.274 100 H CB 1.626 31.257 29.762 -0.217 0.000 1.538 100 H HN 0.248 nan 8.280 nan 0.000 0.542 101 S N 1.691 117.548 115.700 0.262 0.000 2.465 101 S HA 0.146 4.615 4.470 -0.002 0.000 0.280 101 S C 0.085 174.786 174.600 0.167 0.000 1.232 101 S CA -0.664 57.641 58.200 0.174 0.000 1.066 101 S CB -0.595 62.675 63.200 0.117 0.000 0.929 101 S HN 0.396 nan 8.310 nan 0.000 0.494 102 I N 6.111 126.718 120.570 0.061 0.000 2.452 102 I HA 0.098 4.267 4.170 -0.002 0.000 0.287 102 I C 1.750 177.859 176.117 -0.014 0.000 1.079 102 I CA -0.256 61.019 61.300 -0.042 0.000 1.387 102 I CB 0.629 38.486 38.000 -0.238 0.000 1.404 102 I HN 0.740 nan 8.210 nan 0.000 0.522 103 N N 4.094 122.787 118.700 -0.012 0.000 2.368 103 N HA -0.041 4.698 4.740 -0.002 0.000 0.176 103 N C 0.042 175.490 175.510 -0.105 0.000 1.021 103 N CA 0.880 53.883 53.050 -0.079 0.000 0.888 103 N CB 0.552 38.974 38.487 -0.109 0.000 0.995 103 N HN 0.729 nan 8.380 nan 0.000 0.437 104 D N -1.778 118.588 120.400 -0.057 0.000 2.764 104 D HA 0.201 4.839 4.640 -0.002 0.000 0.293 104 D C -1.734 174.585 176.300 0.031 0.000 1.287 104 D CA -0.465 53.498 54.000 -0.061 0.000 0.768 104 D CB 0.492 41.213 40.800 -0.131 0.000 1.288 104 D HN 0.111 nan 8.370 nan 0.000 0.426 105 Y N -1.200 119.108 120.300 0.013 0.000 2.588 105 Y HA 0.785 5.334 4.550 -0.002 0.000 0.343 105 Y C -1.203 174.766 175.900 0.116 0.000 1.065 105 Y CA -0.997 57.133 58.100 0.050 0.000 1.038 105 Y CB 1.831 40.306 38.460 0.024 0.000 1.297 105 Y HN 0.177 nan 8.280 nan 0.000 0.467 106 S N 2.903 118.808 115.700 0.341 0.000 2.672 106 S HA 0.640 5.109 4.470 -0.002 0.000 0.291 106 S C -1.320 173.624 174.600 0.575 0.000 1.145 106 S CA -0.634 57.790 58.200 0.372 0.000 1.013 106 S CB 0.352 63.743 63.200 0.319 0.000 1.017 106 S HN 0.678 nan 8.310 nan 0.000 0.487 107 I N 4.453 125.253 120.570 0.384 0.000 2.365 107 I HA 0.270 4.439 4.170 -0.002 0.000 0.291 107 I C 0.936 176.931 176.117 -0.204 0.000 1.004 107 I CA -0.562 60.841 61.300 0.171 0.000 1.311 107 I CB 1.742 39.782 38.000 0.067 0.000 1.401 107 I HN 0.742 nan 8.210 nan 0.000 0.491 108 S N 6.033 121.305 115.700 -0.715 0.000 2.573 108 S HA 0.147 4.616 4.470 -0.002 0.000 0.277 108 S C -1.853 172.462 174.600 -0.476 0.000 1.346 108 S CA -0.952 56.461 58.200 -1.312 0.000 1.034 108 S CB 0.608 62.907 63.200 -1.501 0.000 0.879 108 S HN 0.421 nan 8.310 nan 0.000 0.528 109 P HA -0.137 nan 4.420 nan 0.000 0.215 109 P C 0.719 177.971 177.300 -0.080 0.000 1.157 109 P CA 1.589 64.611 63.100 -0.129 0.000 0.874 109 P CB -0.216 31.426 31.700 -0.096 0.000 0.790 110 D N -1.913 118.433 120.400 -0.091 0.000 2.324 110 D HA 0.106 4.744 4.640 -0.002 0.000 0.235 110 D C 1.326 177.630 176.300 0.008 0.000 1.095 110 D CA 0.418 54.403 54.000 -0.025 0.000 0.871 110 D CB -1.232 39.557 40.800 -0.019 0.000 0.906 110 D HN 0.235 nan 8.370 nan 0.000 0.522 111 G N 0.298 109.100 108.800 0.004 0.000 2.175 111 G HA2 -0.425 3.534 3.960 -0.002 0.000 0.265 111 G HA3 -0.425 3.534 3.960 -0.002 0.000 0.265 111 G C 0.961 175.891 174.900 0.049 0.000 0.979 111 G CA 0.694 45.864 45.100 0.116 0.000 0.663 111 G HN 0.483 nan 8.290 nan 0.000 0.533 112 Q N -1.617 118.141 119.800 -0.070 0.000 2.302 112 Q HA 0.378 4.717 4.340 -0.002 0.000 0.202 112 Q C 0.390 176.013 176.000 -0.629 0.000 0.936 112 Q CA 0.669 56.264 55.803 -0.348 0.000 0.886 112 Q CB 0.377 28.879 28.738 -0.394 0.000 0.986 112 Q HN 0.583 nan 8.270 nan 0.000 0.487 113 F N -0.621 119.325 119.950 -0.007 0.000 2.629 113 F HA 0.546 5.072 4.527 -0.002 0.000 0.316 113 F C -0.578 175.327 175.800 0.175 0.000 1.081 113 F CA -1.254 56.806 58.000 0.100 0.000 0.954 113 F CB 1.798 40.878 39.000 0.134 0.000 1.337 113 F HN -0.209 nan 8.300 nan 0.000 0.474 114 I N 2.127 123.030 120.570 0.556 0.000 2.686 114 I HA 0.456 4.625 4.170 -0.002 0.000 0.295 114 I C -1.808 174.631 176.117 0.536 0.000 1.114 114 I CA -0.759 60.853 61.300 0.520 0.000 1.038 114 I CB 1.884 40.117 38.000 0.388 0.000 1.238 114 I HN 0.491 nan 8.210 nan 0.000 0.420 115 L N 7.615 129.167 121.223 0.549 0.000 2.276 115 L HA 0.449 4.788 4.340 -0.002 0.000 0.286 115 L C -0.932 176.080 176.870 0.236 0.000 1.061 115 L CA -0.637 54.406 54.840 0.337 0.000 0.807 115 L CB 1.175 43.355 42.059 0.202 0.000 1.177 115 L HN 0.536 nan 8.230 nan 0.000 0.429 116 L N 4.775 126.075 121.223 0.129 0.000 2.296 116 L HA 0.444 4.783 4.340 -0.002 0.000 0.286 116 L C -0.123 176.785 176.870 0.063 0.000 1.023 116 L CA -0.383 54.434 54.840 -0.037 0.000 0.812 116 L CB 1.760 43.567 42.059 -0.419 0.000 1.223 116 L HN 0.581 nan 8.230 nan 0.000 0.421 117 E N 3.928 124.125 120.200 -0.005 0.000 2.129 117 E HA 0.401 4.750 4.350 -0.002 0.000 0.268 117 E C -1.606 174.969 176.600 -0.043 0.000 0.900 117 E CA -0.537 55.737 56.400 -0.209 0.000 0.755 117 E CB 1.084 30.710 29.700 -0.124 0.000 1.117 117 E HN 0.454 nan 8.360 nan 0.000 0.410 118 Y N 1.779 121.920 120.300 -0.265 0.000 2.790 118 Y HA 0.493 5.042 4.550 -0.002 0.000 0.323 118 Y C 0.075 175.901 175.900 -0.123 0.000 1.230 118 Y CA -1.759 56.272 58.100 -0.115 0.000 1.121 118 Y CB 0.310 38.773 38.460 0.004 0.000 1.328 118 Y HN 0.458 nan 8.280 nan 0.000 0.514 119 N N -0.670 118.039 118.700 0.015 0.000 2.721 119 N HA -0.300 4.439 4.740 -0.002 0.000 0.249 119 N C -1.119 174.357 175.510 -0.057 0.000 1.072 119 N CA 0.917 53.927 53.050 -0.067 0.000 0.710 119 N CB -1.750 36.587 38.487 -0.250 0.000 0.993 119 N HN 0.835 nan 8.380 nan 0.000 0.547 120 Y N 0.165 120.396 120.300 -0.116 0.000 2.632 120 Y HA 0.269 4.818 4.550 -0.002 0.000 0.329 120 Y C 0.091 175.951 175.900 -0.066 0.000 1.174 120 Y CA 0.030 58.056 58.100 -0.123 0.000 1.469 120 Y CB 0.669 39.016 38.460 -0.188 0.000 1.242 120 Y HN -0.006 nan 8.280 nan 0.000 0.540 121 V N 8.070 127.685 119.914 -0.499 0.000 2.409 121 V HA 0.199 4.318 4.120 -0.002 0.000 0.290 121 V C -0.352 175.432 176.094 -0.516 0.000 1.017 121 V CA -1.379 60.701 62.300 -0.366 0.000 0.841 121 V CB 1.339 33.053 31.823 -0.180 0.000 1.003 121 V HN 0.716 nan 8.190 nan 0.000 0.426 122 K N 3.939 124.086 120.400 -0.422 0.000 2.401 122 K HA 0.241 4.560 4.320 -0.002 0.000 0.278 122 K C 0.492 176.955 176.600 -0.229 0.000 1.018 122 K CA 0.148 56.284 56.287 -0.251 0.000 0.981 122 K CB 1.127 33.639 32.500 0.020 0.000 0.933 122 K HN 0.793 nan 8.250 nan 0.000 0.477 123 Q N 3.086 122.712 119.800 -0.290 0.000 2.263 123 Q HA 0.140 4.479 4.340 -0.002 0.000 0.258 123 Q C 0.074 175.814 176.000 -0.433 0.000 0.993 123 Q CA -0.082 55.366 55.803 -0.592 0.000 0.820 123 Q CB 0.030 28.248 28.738 -0.867 0.000 1.737 123 Q HN 0.730 nan 8.270 nan 0.000 0.522 124 W N -0.006 121.285 121.300 -0.015 0.000 1.756 124 W HA 0.343 5.002 4.660 -0.002 0.000 0.638 124 W C 1.881 178.384 176.519 -0.028 0.000 1.472 124 W CA -0.736 56.625 57.345 0.027 0.000 1.437 124 W CB -0.193 29.246 29.460 -0.035 0.000 3.368 124 W HN 0.210 nan 8.180 nan 0.000 0.771 125 R N -0.619 119.981 120.500 0.168 0.000 2.092 125 R HA -0.116 4.223 4.340 -0.002 0.000 0.231 125 R C 1.645 177.779 176.300 -0.277 0.000 1.119 125 R CA 1.581 57.610 56.100 -0.119 0.000 0.970 125 R CB -0.310 29.803 30.300 -0.311 0.000 0.864 125 R HN 0.499 nan 8.270 nan 0.000 0.440 126 H N -1.383 117.751 119.070 0.108 0.000 2.927 126 H HA 0.152 4.707 4.556 -0.002 0.000 0.255 126 H C 0.527 175.940 175.328 0.142 0.000 0.974 126 H CA 0.444 56.580 56.048 0.147 0.000 1.199 126 H CB 0.472 30.297 29.762 0.105 0.000 1.447 126 H HN 0.132 nan 8.280 nan 0.000 0.467 127 S N 1.215 116.896 115.700 -0.030 0.000 2.601 127 S HA 0.424 4.893 4.470 -0.002 0.000 0.271 127 S C -0.395 174.067 174.600 -0.230 0.000 1.305 127 S CA -0.502 57.374 58.200 -0.540 0.000 1.022 127 S CB 0.885 63.209 63.200 -1.460 0.000 0.940 127 S HN 0.405 nan 8.310 nan 0.000 0.525 128 Y N -2.222 117.929 120.300 -0.247 0.000 2.662 128 Y HA 0.640 5.189 4.550 -0.002 0.000 0.334 128 Y C -0.622 175.226 175.900 -0.087 0.000 1.185 128 Y CA -0.957 56.979 58.100 -0.273 0.000 1.074 128 Y CB 0.397 38.586 38.460 -0.453 0.000 1.330 128 Y HN 0.859 nan 8.280 nan 0.000 0.458 129 T N 0.006 114.581 114.554 0.034 0.000 2.944 129 T HA 1.001 5.350 4.350 -0.002 0.000 0.284 129 T C -0.274 174.494 174.700 0.114 0.000 1.010 129 T CA -0.050 62.102 62.100 0.086 0.000 1.025 129 T CB 1.666 70.547 68.868 0.022 0.000 1.079 129 T HN 1.831 nan 8.240 nan 0.000 0.516 130 A N 0.798 123.671 122.820 0.088 0.000 2.586 130 A HA 0.720 5.039 4.320 -0.002 0.000 0.290 130 A C -0.470 176.906 177.584 -0.346 0.000 1.086 130 A CA -0.980 50.974 52.037 -0.137 0.000 0.665 130 A CB 1.023 19.945 19.000 -0.130 0.000 1.279 130 A HN 0.837 nan 8.150 nan 0.000 0.423 131 S N -0.675 114.597 115.700 -0.713 0.000 2.654 131 S HA 0.792 5.261 4.470 -0.002 0.000 0.283 131 S C -1.498 172.453 174.600 -1.083 0.000 1.180 131 S CA -0.020 57.653 58.200 -0.879 0.000 1.021 131 S CB 0.595 62.960 63.200 -1.391 0.000 1.018 131 S HN 0.448 nan 8.310 nan 0.000 0.532 132 Y N 0.294 120.391 120.300 -0.338 0.000 2.421 132 Y HA 0.432 4.980 4.550 -0.002 0.000 0.339 132 Y C -0.492 175.444 175.900 0.061 0.000 0.996 132 Y CA -0.930 57.108 58.100 -0.104 0.000 1.046 132 Y CB 1.724 40.059 38.460 -0.207 0.000 1.226 132 Y HN 0.491 nan 8.280 nan 0.000 0.445 133 D N 2.640 123.233 120.400 0.322 0.000 2.457 133 D HA 0.601 5.239 4.640 -0.002 0.000 0.240 133 D C -0.817 175.600 176.300 0.194 0.000 1.041 133 D CA -0.296 53.859 54.000 0.258 0.000 0.861 133 D CB 2.247 43.262 40.800 0.358 0.000 1.394 133 D HN 0.378 nan 8.370 nan 0.000 0.473 134 I N 1.570 122.252 120.570 0.186 0.000 2.474 134 I HA 0.317 4.486 4.170 -0.002 0.000 0.294 134 I C -1.090 175.232 176.117 0.341 0.000 1.005 134 I CA -1.044 60.404 61.300 0.247 0.000 1.113 134 I CB 1.720 39.813 38.000 0.155 0.000 1.289 134 I HN 0.243 nan 8.210 nan 0.000 0.436 135 Y N 5.096 125.570 120.300 0.291 0.000 2.326 135 Y HA 0.289 4.838 4.550 -0.002 0.000 0.331 135 Y C -0.377 175.711 175.900 0.314 0.000 0.962 135 Y CA -0.785 57.487 58.100 0.287 0.000 1.167 135 Y CB 1.152 39.794 38.460 0.304 0.000 1.148 135 Y HN 0.491 nan 8.280 nan 0.000 0.463 136 D N 6.242 126.613 120.400 -0.047 0.000 2.339 136 D HA 0.063 4.702 4.640 -0.002 0.000 0.256 136 D C 0.722 176.859 176.300 -0.272 0.000 1.214 136 D CA 0.485 54.413 54.000 -0.121 0.000 0.877 136 D CB 1.086 41.832 40.800 -0.090 0.000 1.111 136 D HN 0.883 nan 8.370 nan 0.000 0.478 137 L N 3.791 124.909 121.223 -0.174 0.000 2.156 137 L HA -0.112 4.227 4.340 -0.002 0.000 0.208 137 L C 1.979 178.764 176.870 -0.142 0.000 1.095 137 L CA 0.437 55.252 54.840 -0.041 0.000 0.770 137 L CB -0.196 41.831 42.059 -0.053 0.000 0.914 137 L HN 0.360 nan 8.230 nan 0.000 0.439 138 N N 0.407 118.971 118.700 -0.227 0.000 2.173 138 N HA -0.112 4.627 4.740 -0.002 0.000 0.184 138 N C 1.661 177.082 175.510 -0.148 0.000 1.025 138 N CA 1.138 54.080 53.050 -0.180 0.000 0.852 138 N CB -0.008 38.366 38.487 -0.187 0.000 0.998 138 N HN 0.272 nan 8.380 nan 0.000 0.427 139 K N 0.647 120.946 120.400 -0.168 0.000 2.432 139 K HA 0.129 4.448 4.320 -0.002 0.000 0.196 139 K C -0.156 176.347 176.600 -0.162 0.000 1.038 139 K CA 0.055 56.259 56.287 -0.139 0.000 0.986 139 K CB 0.228 32.655 32.500 -0.121 0.000 0.782 139 K HN 0.095 nan 8.250 nan 0.000 0.485 140 R N 1.337 121.707 120.500 -0.217 0.000 3.422 140 R HA -0.205 4.134 4.340 -0.002 0.000 0.267 140 R C -0.725 175.354 176.300 -0.368 0.000 1.074 140 R CA 0.802 56.784 56.100 -0.197 0.000 0.718 140 R CB -2.212 28.073 30.300 -0.024 0.000 1.157 140 R HN 0.510 nan 8.270 nan 0.000 0.440 141 Q N -0.901 118.483 119.800 -0.692 0.000 2.418 141 Q HA 0.600 4.939 4.340 -0.002 0.000 0.282 141 Q C -1.101 174.607 176.000 -0.486 0.000 1.044 141 Q CA -1.375 54.160 55.803 -0.448 0.000 0.813 141 Q CB 1.308 29.947 28.738 -0.166 0.000 1.428 141 Q HN 0.017 nan 8.270 nan 0.000 0.402 142 L N 1.598 122.775 121.223 -0.076 0.000 2.426 142 L HA 0.229 4.567 4.340 -0.002 0.000 0.271 142 L C 0.000 176.911 176.870 0.067 0.000 1.169 142 L CA -0.242 54.672 54.840 0.124 0.000 0.836 142 L CB 0.224 42.449 42.059 0.276 0.000 1.112 142 L HN 0.592 nan 8.230 nan 0.000 0.465 143 I N 1.971 122.602 120.570 0.101 0.000 2.529 143 I HA 0.103 4.272 4.170 -0.002 0.000 0.284 143 I C 1.244 177.394 176.117 0.054 0.000 1.082 143 I CA 0.298 61.638 61.300 0.066 0.000 1.406 143 I CB 0.977 39.013 38.000 0.061 0.000 1.405 143 I HN 0.864 nan 8.210 nan 0.000 0.548 144 T N 1.115 115.685 114.554 0.026 0.000 2.954 144 T HA 0.152 4.501 4.350 -0.002 0.000 0.252 144 T C 0.385 175.079 174.700 -0.009 0.000 0.983 144 T CA -0.394 61.715 62.100 0.015 0.000 0.941 144 T CB 0.151 69.028 68.868 0.015 0.000 1.141 144 T HN 0.638 nan 8.240 nan 0.000 0.500 145 E N 1.878 122.068 120.200 -0.017 0.000 2.231 145 E HA 0.419 4.768 4.350 -0.002 0.000 0.277 145 E C -0.779 175.788 176.600 -0.055 0.000 0.999 145 E CA -0.821 55.559 56.400 -0.034 0.000 0.827 145 E CB 0.566 30.250 29.700 -0.027 0.000 1.101 145 E HN 0.009 nan 8.360 nan 0.000 0.393 146 E N 1.052 121.207 120.200 -0.074 0.000 2.271 146 E HA -0.209 4.140 4.350 -0.002 0.000 0.223 146 E C -0.790 175.731 176.600 -0.132 0.000 1.223 146 E CA 0.634 56.974 56.400 -0.101 0.000 0.704 146 E CB -1.527 28.122 29.700 -0.085 0.000 1.194 146 E HN 0.621 nan 8.360 nan 0.000 0.375 147 R N -0.064 120.349 120.500 -0.145 0.000 2.641 147 R HA 0.382 4.721 4.340 -0.002 0.000 0.269 147 R C 1.169 177.289 176.300 -0.300 0.000 1.074 147 R CA -0.489 55.509 56.100 -0.169 0.000 1.133 147 R CB 0.556 30.784 30.300 -0.121 0.000 1.029 147 R HN 0.139 nan 8.270 nan 0.000 0.488 148 I N 3.872 124.225 120.570 -0.361 0.000 2.618 148 I HA 0.023 4.192 4.170 -0.002 0.000 0.284 148 I C -1.741 174.054 176.117 -0.538 0.000 1.146 148 I CA -1.588 59.332 61.300 -0.633 0.000 1.425 148 I CB 0.314 37.951 38.000 -0.605 0.000 1.383 148 I HN 0.282 nan 8.210 nan 0.000 0.562 149 P HA 0.054 nan 4.420 nan 0.000 0.270 149 P C -0.650 176.418 177.300 -0.388 0.000 1.223 149 P CA -0.324 62.356 63.100 -0.701 0.000 0.785 149 P CB 0.352 31.175 31.700 -1.463 0.000 0.923 150 N N 2.203 120.763 118.700 -0.232 0.000 2.381 150 N HA -0.011 4.727 4.740 -0.002 0.000 0.241 150 N C 0.520 176.087 175.510 0.095 0.000 1.279 150 N CA 0.421 53.414 53.050 -0.096 0.000 0.896 150 N CB -0.450 38.004 38.487 -0.055 0.000 1.118 150 N HN 0.418 nan 8.380 nan 0.000 0.438 151 N N -0.942 117.802 118.700 0.074 0.000 2.776 151 N HA -0.156 4.583 4.740 -0.002 0.000 0.249 151 N C -0.845 174.840 175.510 0.292 0.000 1.111 151 N CA 0.726 53.870 53.050 0.157 0.000 0.711 151 N CB -1.582 37.016 38.487 0.184 0.000 1.065 151 N HN 0.489 nan 8.380 nan 0.000 0.556 152 T N 0.695 115.407 114.554 0.265 0.000 2.919 152 T HA 0.113 4.462 4.350 -0.002 0.000 0.302 152 T C 1.697 176.561 174.700 0.273 0.000 1.031 152 T CA 0.191 62.479 62.100 0.313 0.000 1.127 152 T CB 1.214 70.182 68.868 0.166 0.000 0.952 152 T HN 0.178 nan 8.240 nan 0.000 0.540 153 Q N 1.201 121.155 119.800 0.256 0.000 2.373 153 Q HA 0.199 4.538 4.340 -0.002 0.000 0.210 153 Q C 0.003 176.159 176.000 0.260 0.000 0.913 153 Q CA 0.205 56.164 55.803 0.260 0.000 0.911 153 Q CB 0.941 29.819 28.738 0.234 0.000 1.040 153 Q HN 0.708 nan 8.270 nan 0.000 0.521 154 W N 0.094 121.356 121.300 -0.063 0.000 3.571 154 W HA 0.474 5.133 4.660 -0.002 0.000 0.294 154 W C -2.281 174.153 176.519 -0.141 0.000 1.257 154 W CA -0.596 56.664 57.345 -0.142 0.000 1.206 154 W CB 1.197 30.508 29.460 -0.249 0.000 1.325 154 W HN -0.348 nan 8.180 nan 0.000 0.546 155 V N 3.154 122.375 119.914 -1.154 0.000 2.971 155 V HA 0.737 4.855 4.120 -0.002 0.000 0.309 155 V C -0.510 174.930 176.094 -1.089 0.000 1.130 155 V CA -0.687 61.056 62.300 -0.928 0.000 0.964 155 V CB 1.851 33.040 31.823 -1.057 0.000 1.029 155 V HN 0.500 nan 8.190 nan 0.000 0.427 156 T N 2.227 116.474 114.554 -0.512 0.000 3.193 156 T HA 0.445 4.794 4.350 -0.002 0.000 0.332 156 T C -1.434 173.274 174.700 0.012 0.000 1.208 156 T CA -0.353 61.636 62.100 -0.185 0.000 1.080 156 T CB 0.619 69.626 68.868 0.231 0.000 1.180 156 T HN 0.523 nan 8.240 nan 0.000 0.469 157 W N 3.633 124.962 121.300 0.047 0.000 2.148 157 W HA 0.382 5.041 4.660 -0.002 0.000 0.347 157 W C 1.366 177.754 176.519 -0.219 0.000 1.288 157 W CA -0.440 56.889 57.345 -0.027 0.000 1.252 157 W CB 0.482 29.926 29.460 -0.027 0.000 1.156 157 W HN 0.808 nan 8.180 nan 0.000 0.580 158 S N 1.803 117.233 115.700 -0.451 0.000 2.580 158 S HA 0.061 4.530 4.470 -0.002 0.000 0.266 158 S C -1.765 172.589 174.600 -0.409 0.000 1.354 158 S CA -0.933 56.497 58.200 -1.284 0.000 1.008 158 S CB 0.568 62.897 63.200 -1.452 0.000 0.898 158 S HN 0.311 nan 8.310 nan 0.000 0.555 159 P HA 0.174 nan 4.420 nan 0.000 0.229 159 P C -0.256 177.000 177.300 -0.074 0.000 1.160 159 P CA 0.444 63.511 63.100 -0.054 0.000 0.777 159 P CB 0.158 31.870 31.700 0.020 0.000 0.814 160 V N -1.628 118.190 119.914 -0.160 0.000 2.888 160 V HA 0.647 4.766 4.120 -0.002 0.000 0.309 160 V C 0.609 176.585 176.094 -0.196 0.000 1.114 160 V CA 0.156 62.374 62.300 -0.137 0.000 0.940 160 V CB 1.261 33.018 31.823 -0.110 0.000 1.021 160 V HN 0.415 nan 8.190 nan 0.000 0.426 161 G N 3.748 112.439 108.800 -0.181 0.000 2.498 161 G HA2 -0.194 3.765 3.960 -0.002 0.000 0.251 161 G HA3 -0.194 3.765 3.960 -0.002 0.000 0.251 161 G C 0.113 174.883 174.900 -0.216 0.000 1.170 161 G CA 0.574 45.509 45.100 -0.274 0.000 0.944 161 G HN 1.875 nan 8.290 nan 0.000 0.567 162 H N -0.709 118.341 119.070 -0.034 0.000 3.038 162 H HA 0.392 4.947 4.556 -0.002 0.000 0.238 162 H C 0.220 175.701 175.328 0.255 0.000 1.246 162 H CA -0.255 55.817 56.048 0.041 0.000 0.966 162 H CB -0.102 29.700 29.762 0.066 0.000 2.394 162 H HN 0.501 nan 8.280 nan 0.000 0.633 163 K N 1.787 122.320 120.400 0.221 0.000 2.319 163 K HA 0.346 4.665 4.320 -0.002 0.000 0.265 163 K C -0.379 176.372 176.600 0.252 0.000 1.000 163 K CA -0.202 56.186 56.287 0.169 0.000 0.943 163 K CB 1.650 34.075 32.500 -0.126 0.000 0.950 163 K HN 0.187 nan 8.250 nan 0.000 0.485 164 L N 1.393 122.745 121.223 0.215 0.000 2.362 164 L HA 0.489 4.828 4.340 -0.002 0.000 0.275 164 L C -0.715 176.328 176.870 0.288 0.000 0.998 164 L CA -0.800 54.099 54.840 0.097 0.000 0.820 164 L CB 2.005 43.973 42.059 -0.151 0.000 1.270 164 L HN 0.711 nan 8.230 nan 0.000 0.415 165 A N 3.252 126.261 122.820 0.316 0.000 2.343 165 A HA 0.806 5.125 4.320 -0.002 0.000 0.316 165 A C -1.440 176.178 177.584 0.057 0.000 1.104 165 A CA -0.369 51.753 52.037 0.142 0.000 0.768 165 A CB 1.014 20.042 19.000 0.046 0.000 1.213 165 A HN 0.651 nan 8.150 nan 0.000 0.456 166 Y N -0.385 119.878 120.300 -0.060 0.000 2.609 166 Y HA 0.782 5.330 4.550 -0.002 0.000 0.342 166 Y C -1.122 174.795 175.900 0.029 0.000 1.058 166 Y CA -1.615 56.426 58.100 -0.099 0.000 1.055 166 Y CB 1.122 39.452 38.460 -0.217 0.000 1.292 166 Y HN 0.378 nan 8.280 nan 0.000 0.476 167 V N 1.906 121.960 119.914 0.233 0.000 2.495 167 V HA 0.384 4.503 4.120 -0.002 0.000 0.298 167 V C -1.439 174.897 176.094 0.402 0.000 1.031 167 V CA -0.603 61.815 62.300 0.197 0.000 0.871 167 V CB 1.370 33.223 31.823 0.049 0.000 0.988 167 V HN 0.873 nan 8.190 nan 0.000 0.432 168 W N 4.422 125.839 121.300 0.195 0.000 3.097 168 W HA 0.448 5.107 4.660 -0.002 0.000 0.335 168 W C 0.376 176.962 176.519 0.111 0.000 1.114 168 W CA -0.856 56.578 57.345 0.149 0.000 1.231 168 W CB 1.286 30.816 29.460 0.116 0.000 1.388 168 W HN 0.782 nan 8.180 nan 0.000 0.485 169 N N 4.666 123.019 118.700 -0.579 0.000 2.696 169 N HA -0.357 4.382 4.740 -0.002 0.000 0.249 169 N C 0.019 175.375 175.510 -0.257 0.000 1.090 169 N CA 1.118 53.831 53.050 -0.562 0.000 0.716 169 N CB -0.810 37.144 38.487 -0.888 0.000 1.020 169 N HN 0.699 nan 8.380 nan 0.000 0.548 170 N N -1.700 116.920 118.700 -0.134 0.000 2.948 170 N HA -0.141 4.598 4.740 -0.002 0.000 0.239 170 N C -1.432 174.007 175.510 -0.118 0.000 0.954 170 N CA 1.556 54.543 53.050 -0.106 0.000 0.941 170 N CB -0.543 37.838 38.487 -0.177 0.000 1.101 170 N HN 0.502 nan 8.380 nan 0.000 0.579 171 D N 0.030 120.369 120.400 -0.103 0.000 2.269 171 D HA 0.477 5.116 4.640 -0.002 0.000 0.244 171 D C 0.503 176.640 176.300 -0.272 0.000 0.992 171 D CA -0.405 53.450 54.000 -0.241 0.000 0.894 171 D CB 1.305 41.901 40.800 -0.341 0.000 1.248 171 D HN 0.022 nan 8.370 nan 0.000 0.468 172 I N 1.704 121.955 120.570 -0.532 0.000 2.365 172 I HA 0.207 4.376 4.170 -0.002 0.000 0.291 172 I C -0.669 174.981 176.117 -0.779 0.000 1.004 172 I CA -0.428 60.543 61.300 -0.548 0.000 1.311 172 I CB 0.501 38.102 38.000 -0.665 0.000 1.401 172 I HN 0.154 nan 8.210 nan 0.000 0.491 173 Y N 4.341 124.255 120.300 -0.643 0.000 2.536 173 Y HA 0.651 5.200 4.550 -0.002 0.000 0.347 173 Y C -0.300 175.248 175.900 -0.587 0.000 1.000 173 Y CA -0.971 56.708 58.100 -0.702 0.000 1.051 173 Y CB 2.042 39.842 38.460 -1.100 0.000 1.259 173 Y HN 0.105 nan 8.280 nan 0.000 0.468 174 V N 2.498 122.350 119.914 -0.102 0.000 2.577 174 V HA 0.437 4.556 4.120 -0.002 0.000 0.303 174 V C -0.917 175.310 176.094 0.221 0.000 1.042 174 V CA -1.419 60.919 62.300 0.063 0.000 0.872 174 V CB 1.858 33.732 31.823 0.085 0.000 0.998 174 V HN 0.615 nan 8.190 nan 0.000 0.423 175 K N 4.365 124.902 120.400 0.229 0.000 2.307 175 K HA 0.506 4.825 4.320 -0.002 0.000 0.263 175 K C 0.483 177.222 176.600 0.232 0.000 0.973 175 K CA -0.729 55.691 56.287 0.222 0.000 0.846 175 K CB 1.742 34.323 32.500 0.135 0.000 1.100 175 K HN 0.420 nan 8.250 nan 0.000 0.438 176 I N 1.341 122.069 120.570 0.265 0.000 2.252 176 I HA -0.104 4.065 4.170 -0.002 0.000 0.245 176 I C 0.462 176.704 176.117 0.208 0.000 1.102 176 I CA 1.550 62.986 61.300 0.227 0.000 1.385 176 I CB -0.353 37.787 38.000 0.234 0.000 1.064 176 I HN 0.591 nan 8.210 nan 0.000 0.414 177 E N 0.051 120.330 120.200 0.130 0.000 2.266 177 E HA 0.268 4.617 4.350 -0.002 0.000 0.268 177 E C -1.944 174.586 176.600 -0.116 0.000 0.879 177 E CA -1.874 54.527 56.400 0.002 0.000 0.762 177 E CB 1.914 31.628 29.700 0.024 0.000 1.199 177 E HN -0.116 nan 8.360 nan 0.000 0.422 178 P HA -0.136 nan 4.420 nan 0.000 0.223 178 P C 0.685 177.872 177.300 -0.189 0.000 1.144 178 P CA 1.196 64.094 63.100 -0.336 0.000 0.783 178 P CB 0.246 31.500 31.700 -0.743 0.000 0.771 179 N N -1.755 116.861 118.700 -0.140 0.000 2.204 179 N HA 0.072 4.811 4.740 -0.002 0.000 0.219 179 N C -0.279 175.203 175.510 -0.046 0.000 1.151 179 N CA 0.037 53.046 53.050 -0.068 0.000 0.867 179 N CB -0.093 38.376 38.487 -0.030 0.000 1.043 179 N HN 0.012 nan 8.380 nan 0.000 0.516 180 L N 1.010 122.207 121.223 -0.043 0.000 2.322 180 L HA 0.638 4.977 4.340 -0.002 0.000 0.269 180 L C -2.242 174.592 176.870 -0.060 0.000 1.012 180 L CA -2.213 52.607 54.840 -0.034 0.000 0.815 180 L CB 1.375 43.436 42.059 0.002 0.000 1.295 180 L HN -0.118 nan 8.230 nan 0.000 0.438 181 P HA 0.098 nan 4.420 nan 0.000 0.266 181 P C -0.781 176.411 177.300 -0.179 0.000 1.195 181 P CA -0.220 62.797 63.100 -0.137 0.000 0.768 181 P CB 0.416 32.018 31.700 -0.163 0.000 0.838 182 S N 2.393 118.037 115.700 -0.093 0.000 2.601 182 S HA 0.356 4.825 4.470 -0.002 0.000 0.271 182 S C -0.769 173.788 174.600 -0.071 0.000 1.305 182 S CA -0.377 57.826 58.200 0.006 0.000 1.022 182 S CB 0.078 63.362 63.200 0.140 0.000 0.940 182 S HN 0.230 nan 8.310 nan 0.000 0.525 183 Y N 0.807 121.142 120.300 0.058 0.000 2.326 183 Y HA 0.436 4.985 4.550 -0.002 0.000 0.337 183 Y C 0.877 176.742 175.900 -0.058 0.000 1.023 183 Y CA -0.772 57.346 58.100 0.030 0.000 1.143 183 Y CB 0.864 39.339 38.460 0.025 0.000 1.183 183 Y HN 0.712 nan 8.280 nan 0.000 0.485 184 R N 3.553 124.053 120.500 0.001 0.000 2.347 184 R HA 0.214 4.553 4.340 -0.002 0.000 0.304 184 R C 0.123 176.184 176.300 -0.398 0.000 1.072 184 R CA -0.051 55.764 56.100 -0.475 0.000 0.980 184 R CB 0.274 30.143 30.300 -0.718 0.000 0.986 184 R HN 0.763 nan 8.270 nan 0.000 0.448 185 I N 2.333 122.570 120.570 -0.555 0.000 2.731 185 I HA -0.009 4.160 4.170 -0.002 0.000 0.260 185 I C 1.048 176.950 176.117 -0.359 0.000 1.138 185 I CA 0.915 62.000 61.300 -0.358 0.000 1.461 185 I CB -0.628 37.125 38.000 -0.412 0.000 1.128 185 I HN 0.683 nan 8.210 nan 0.000 0.438 186 T N -3.961 110.241 114.554 -0.586 0.000 2.924 186 T HA 0.409 4.757 4.350 -0.002 0.000 0.291 186 T C -0.602 173.796 174.700 -0.504 0.000 1.045 186 T CA -0.503 61.355 62.100 -0.403 0.000 1.015 186 T CB 2.032 70.643 68.868 -0.428 0.000 1.103 186 T HN 0.175 nan 8.240 nan 0.000 0.496 187 W N 0.108 121.291 121.300 -0.195 0.000 2.534 187 W HA 0.228 4.887 4.660 -0.002 0.000 0.339 187 W C 1.911 178.368 176.519 -0.103 0.000 0.961 187 W CA -0.063 57.204 57.345 -0.130 0.000 1.545 187 W CB 0.435 29.843 29.460 -0.088 0.000 1.104 187 W HN 0.927 nan 8.180 nan 0.000 0.538 188 T N -2.832 111.752 114.554 0.049 0.000 3.060 188 T HA 0.272 4.621 4.350 -0.002 0.000 0.249 188 T C 1.234 175.919 174.700 -0.025 0.000 1.079 188 T CA 0.212 62.325 62.100 0.023 0.000 1.013 188 T CB -0.114 68.759 68.868 0.008 0.000 0.975 188 T HN -0.012 nan 8.240 nan 0.000 0.518 189 G N 1.311 110.066 108.800 -0.074 0.000 2.305 189 G HA2 0.390 4.349 3.960 -0.002 0.000 0.243 189 G HA3 0.390 4.349 3.960 -0.002 0.000 0.243 189 G C -0.664 174.169 174.900 -0.112 0.000 1.288 189 G CA -0.419 44.616 45.100 -0.109 0.000 0.901 189 G HN 0.549 nan 8.290 nan 0.000 0.516 190 K N 1.753 122.067 120.400 -0.143 0.000 2.535 190 K HA 0.194 4.512 4.320 -0.002 0.000 0.251 190 K C -0.275 176.203 176.600 -0.203 0.000 0.942 190 K CA -0.698 55.506 56.287 -0.138 0.000 0.798 190 K CB 1.807 34.260 32.500 -0.079 0.000 1.267 190 K HN 0.588 nan 8.250 nan 0.000 0.434 191 E N 3.188 123.280 120.200 -0.179 0.000 2.558 191 E HA -0.131 4.217 4.350 -0.002 0.000 0.255 191 E C -0.653 175.855 176.600 -0.154 0.000 0.968 191 E CA 0.963 57.253 56.400 -0.183 0.000 0.939 191 E CB 0.252 29.881 29.700 -0.118 0.000 0.921 191 E HN 0.667 nan 8.360 nan 0.000 0.477 192 D N 2.645 122.925 120.400 -0.201 0.000 3.077 192 D HA -0.230 4.409 4.640 -0.002 0.000 0.212 192 D C 0.546 176.860 176.300 0.023 0.000 1.125 192 D CA 1.445 55.446 54.000 0.003 0.000 0.970 192 D CB -0.917 39.929 40.800 0.077 0.000 1.110 192 D HN 0.539 nan 8.370 nan 0.000 0.419 193 I N -1.230 119.251 120.570 -0.149 0.000 3.859 193 I HA 0.061 4.230 4.170 -0.002 0.000 0.266 193 I C 0.258 176.402 176.117 0.045 0.000 1.132 193 I CA -0.030 61.280 61.300 0.017 0.000 1.361 193 I CB 0.713 38.717 38.000 0.006 0.000 1.690 193 I HN -0.176 nan 8.210 nan 0.000 0.424 194 I N 1.922 122.429 120.570 -0.105 0.000 2.382 194 I HA 0.285 4.454 4.170 -0.002 0.000 0.286 194 I C -1.381 174.679 176.117 -0.095 0.000 1.002 194 I CA -0.458 60.847 61.300 0.009 0.000 1.135 194 I CB 0.673 38.675 38.000 0.004 0.000 1.288 194 I HN 0.043 nan 8.210 nan 0.000 0.448 195 Y N 4.720 125.109 120.300 0.149 0.000 2.334 195 Y HA 0.392 4.941 4.550 -0.002 0.000 0.336 195 Y C 0.446 176.403 175.900 0.094 0.000 0.960 195 Y CA -0.748 57.441 58.100 0.148 0.000 1.164 195 Y CB 1.021 39.651 38.460 0.283 0.000 1.155 195 Y HN 0.412 nan 8.280 nan 0.000 0.478 196 N N 2.391 121.145 118.700 0.090 0.000 2.444 196 N HA 0.338 5.077 4.740 -0.002 0.000 0.262 196 N C 0.839 176.281 175.510 -0.113 0.000 0.974 196 N CA 0.443 53.466 53.050 -0.045 0.000 0.933 196 N CB 1.796 40.146 38.487 -0.229 0.000 1.137 196 N HN 1.001 nan 8.380 nan 0.000 0.498 197 G N 1.622 110.380 108.800 -0.070 0.000 2.179 197 G HA2 -0.246 3.713 3.960 -0.002 0.000 0.260 197 G HA3 -0.246 3.713 3.960 -0.002 0.000 0.260 197 G C 0.105 174.860 174.900 -0.241 0.000 0.977 197 G CA 0.648 45.639 45.100 -0.181 0.000 0.641 197 G HN 0.664 nan 8.290 nan 0.000 0.533 198 I N -2.112 118.394 120.570 -0.107 0.000 2.969 198 I HA 0.791 4.960 4.170 -0.002 0.000 0.307 198 I C 0.304 176.453 176.117 0.054 0.000 1.149 198 I CA -0.692 60.447 61.300 -0.268 0.000 1.008 198 I CB 1.896 39.511 38.000 -0.642 0.000 1.232 198 I HN 0.170 nan 8.210 nan 0.000 0.435 199 T N -0.259 114.256 114.554 -0.065 0.000 2.904 199 T HA 0.313 4.662 4.350 -0.002 0.000 0.290 199 T C -0.105 174.336 174.700 -0.432 0.000 1.018 199 T CA -0.616 61.285 62.100 -0.332 0.000 1.075 199 T CB 1.083 69.863 68.868 -0.147 0.000 0.986 199 T HN 0.761 nan 8.240 nan 0.000 0.523 200 D N 0.675 120.545 120.400 -0.883 0.000 2.447 200 D HA 0.013 4.652 4.640 -0.002 0.000 0.265 200 D C 0.965 177.152 176.300 -0.188 0.000 1.250 200 D CA -1.084 52.452 54.000 -0.772 0.000 1.046 200 D CB 0.140 40.497 40.800 -0.739 0.000 1.095 200 D HN 0.719 nan 8.370 nan 0.000 0.555 201 W N 0.147 121.363 121.300 -0.139 0.000 2.333 201 W HA -0.201 4.458 4.660 -0.002 0.000 0.316 201 W C 2.116 178.506 176.519 -0.215 0.000 1.215 201 W CA 2.247 59.504 57.345 -0.146 0.000 1.278 201 W CB -0.394 28.923 29.460 -0.238 0.000 1.154 201 W HN 0.194 nan 8.180 nan 0.000 0.486 202 V N -0.154 119.835 119.914 0.126 0.000 2.809 202 V HA -0.235 3.884 4.120 -0.002 0.000 0.256 202 V C 1.663 177.547 176.094 -0.351 0.000 1.080 202 V CA 1.741 64.002 62.300 -0.064 0.000 1.102 202 V CB -0.663 31.110 31.823 -0.084 0.000 0.705 202 V HN 0.314 nan 8.190 nan 0.000 0.475 203 Y N 0.582 120.659 120.300 -0.372 0.000 2.286 203 Y HA -0.097 4.452 4.550 -0.002 0.000 0.293 203 Y C 2.587 178.284 175.900 -0.338 0.000 1.124 203 Y CA 2.011 59.840 58.100 -0.450 0.000 1.178 203 Y CB 0.030 38.075 38.460 -0.693 0.000 1.010 203 Y HN 0.348 nan 8.280 nan 0.000 0.536 204 E N 0.385 120.493 120.200 -0.153 0.000 2.077 204 E HA -0.291 4.058 4.350 -0.002 0.000 0.193 204 E C 1.903 178.407 176.600 -0.160 0.000 0.989 204 E CA 1.606 57.952 56.400 -0.090 0.000 0.800 204 E CB 0.051 29.711 29.700 -0.067 0.000 0.746 204 E HN 0.406 nan 8.360 nan 0.000 0.452 205 E N 0.036 119.971 120.200 -0.442 0.000 2.122 205 E HA -0.107 4.242 4.350 -0.002 0.000 0.190 205 E C 1.425 177.880 176.600 -0.241 0.000 0.977 205 E CA 1.170 57.301 56.400 -0.449 0.000 0.820 205 E CB 0.291 29.370 29.700 -1.035 0.000 0.770 205 E HN 0.182 nan 8.360 nan 0.000 0.462 206 E N -0.971 119.064 120.200 -0.274 0.000 2.514 206 E HA 0.148 4.497 4.350 -0.002 0.000 0.215 206 E C 1.276 177.728 176.600 -0.246 0.000 0.946 206 E CA 0.258 56.543 56.400 -0.191 0.000 1.038 206 E CB 1.342 30.924 29.700 -0.198 0.000 1.069 206 E HN 0.167 nan 8.360 nan 0.000 0.503 207 V N -0.510 119.206 119.914 -0.330 0.000 3.001 207 V HA 0.066 4.185 4.120 -0.002 0.000 0.228 207 V C 1.199 177.136 176.094 -0.261 0.000 1.204 207 V CA 0.474 62.516 62.300 -0.430 0.000 1.247 207 V CB -0.166 31.191 31.823 -0.776 0.000 1.093 207 V HN -0.003 nan 8.190 nan 0.000 0.504 208 F N 0.951 120.921 119.950 0.033 0.000 2.776 208 F HA 0.312 4.838 4.527 -0.002 0.000 0.300 208 F C 1.523 177.285 175.800 -0.064 0.000 1.116 208 F CA -0.039 57.987 58.000 0.042 0.000 1.375 208 F CB -0.671 38.388 39.000 0.099 0.000 1.109 208 F HN 0.092 nan 8.300 nan 0.000 0.585 209 S N 0.548 116.265 115.700 0.028 0.000 3.559 209 S HA 0.043 4.512 4.470 -0.002 0.000 0.369 209 S C 0.125 174.396 174.600 -0.547 0.000 0.987 209 S CA 0.464 58.576 58.200 -0.146 0.000 1.187 209 S CB -1.693 61.465 63.200 -0.071 0.000 0.914 209 S HN 0.714 nan 8.310 nan 0.000 0.480 210 A N -0.499 122.140 122.820 -0.302 0.000 2.583 210 A HA 0.649 4.968 4.320 -0.002 0.000 0.292 210 A C -0.332 177.219 177.584 -0.055 0.000 1.045 210 A CA -0.494 51.368 52.037 -0.291 0.000 0.672 210 A CB 0.197 19.051 19.000 -0.243 0.000 1.283 210 A HN 0.328 nan 8.150 nan 0.000 0.419 211 Y N 1.380 121.520 120.300 -0.266 0.000 2.365 211 Y HA 0.210 4.759 4.550 -0.002 0.000 0.293 211 Y C 1.597 177.201 175.900 -0.493 0.000 1.119 211 Y CA 1.068 59.013 58.100 -0.258 0.000 1.203 211 Y CB 0.006 38.360 38.460 -0.177 0.000 1.026 211 Y HN 0.718 nan 8.280 nan 0.000 0.549 212 S N 0.552 115.716 115.700 -0.894 0.000 2.549 212 S HA 0.420 4.888 4.470 -0.002 0.000 0.283 212 S C 0.347 174.407 174.600 -0.900 0.000 1.320 212 S CA 0.222 57.628 58.200 -1.324 0.000 1.058 212 S CB 0.432 62.586 63.200 -1.744 0.000 0.882 212 S HN 0.421 nan 8.310 nan 0.000 0.498 213 A N 5.624 127.924 122.820 -0.867 0.000 2.806 213 A HA 0.492 4.811 4.320 -0.002 0.000 0.266 213 A C -0.503 176.392 177.584 -1.148 0.000 0.926 213 A CA -0.484 50.973 52.037 -0.966 0.000 1.068 213 A CB 0.007 18.897 19.000 -0.184 0.000 1.189 213 A HN 0.712 nan 8.150 nan 0.000 0.481 214 L N 0.293 120.785 121.223 -1.218 0.000 2.365 214 L HA 0.608 4.947 4.340 -0.002 0.000 0.273 214 L C -1.014 175.386 176.870 -0.783 0.000 1.000 214 L CA -0.603 53.804 54.840 -0.722 0.000 0.819 214 L CB 1.839 43.675 42.059 -0.372 0.000 1.284 214 L HN 0.443 nan 8.230 nan 0.000 0.418 215 W N 2.248 123.556 121.300 0.013 0.000 2.591 215 W HA 0.216 4.875 4.660 -0.002 0.000 0.311 215 W C -1.118 175.588 176.519 0.311 0.000 1.003 215 W CA -1.094 56.381 57.345 0.215 0.000 1.332 215 W CB 1.147 30.788 29.460 0.302 0.000 1.272 215 W HN 0.508 nan 8.180 nan 0.000 0.412 216 W N 2.776 124.275 121.300 0.332 0.000 2.223 216 W HA 0.127 4.785 4.660 -0.002 0.000 0.334 216 W C 1.428 177.764 176.519 -0.305 0.000 1.334 216 W CA 0.584 57.983 57.345 0.090 0.000 1.246 216 W CB 0.635 30.131 29.460 0.060 0.000 1.184 216 W HN 0.188 nan 8.180 nan 0.000 0.563 217 S N 3.260 118.614 115.700 -0.577 0.000 2.584 217 S HA 0.107 4.576 4.470 -0.002 0.000 0.270 217 S C -1.676 172.658 174.600 -0.444 0.000 1.346 217 S CA -1.001 56.325 58.200 -1.457 0.000 1.018 217 S CB 0.926 63.316 63.200 -1.349 0.000 0.899 217 S HN 0.309 nan 8.310 nan 0.000 0.542 218 P HA -0.086 nan 4.420 nan 0.000 0.218 218 P C 1.181 178.440 177.300 -0.068 0.000 1.148 218 P CA 0.990 64.052 63.100 -0.062 0.000 0.822 218 P CB -0.042 31.671 31.700 0.021 0.000 0.784 219 N N -1.084 117.553 118.700 -0.104 0.000 2.270 219 N HA -0.063 4.676 4.740 -0.002 0.000 0.181 219 N C 1.409 176.847 175.510 -0.120 0.000 1.016 219 N CA 1.641 54.635 53.050 -0.095 0.000 0.870 219 N CB -0.581 37.843 38.487 -0.106 0.000 0.979 219 N HN 0.134 nan 8.380 nan 0.000 0.431 220 G N -1.395 107.344 108.800 -0.101 0.000 2.141 220 G HA2 -0.263 3.696 3.960 -0.002 0.000 0.242 220 G HA3 -0.263 3.696 3.960 -0.002 0.000 0.242 220 G C 0.975 175.897 174.900 0.036 0.000 0.982 220 G CA 1.006 46.044 45.100 -0.104 0.000 0.662 220 G HN 0.398 nan 8.290 nan 0.000 0.527 221 T N -0.246 114.263 114.554 -0.075 0.000 2.852 221 T HA 0.339 4.688 4.350 -0.002 0.000 0.256 221 T C 0.702 175.252 174.700 -0.250 0.000 1.038 221 T CA 0.941 62.882 62.100 -0.264 0.000 1.141 221 T CB 0.028 68.550 68.868 -0.576 0.000 0.869 221 T HN 0.234 nan 8.240 nan 0.000 0.439 222 F N 0.822 120.802 119.950 0.049 0.000 2.422 222 F HA 0.564 5.090 4.527 -0.002 0.000 0.333 222 F C -0.086 175.757 175.800 0.071 0.000 1.095 222 F CA -1.563 56.491 58.000 0.090 0.000 1.038 222 F CB 1.029 40.132 39.000 0.170 0.000 1.156 222 F HN -0.073 nan 8.300 nan 0.000 0.483 223 L N 3.133 124.476 121.223 0.200 0.000 2.316 223 L HA 0.693 5.032 4.340 -0.002 0.000 0.280 223 L C -0.718 176.234 176.870 0.136 0.000 1.006 223 L CA -0.543 54.235 54.840 -0.104 0.000 0.836 223 L CB 0.923 42.686 42.059 -0.495 0.000 1.221 223 L HN 0.783 nan 8.230 nan 0.000 0.418 224 A N 5.078 128.053 122.820 0.258 0.000 2.306 224 A HA 0.704 5.023 4.320 -0.002 0.000 0.314 224 A C -1.288 176.338 177.584 0.070 0.000 1.164 224 A CA -0.294 51.759 52.037 0.027 0.000 0.822 224 A CB 0.828 19.890 19.000 0.103 0.000 1.130 224 A HN 0.710 nan 8.150 nan 0.000 0.496 225 Y N -1.439 118.661 120.300 -0.333 0.000 2.597 225 Y HA 0.772 5.321 4.550 -0.002 0.000 0.340 225 Y C -0.244 175.498 175.900 -0.263 0.000 1.097 225 Y CA -0.967 57.017 58.100 -0.194 0.000 1.037 225 Y CB 0.932 39.253 38.460 -0.231 0.000 1.305 225 Y HN 0.878 nan 8.280 nan 0.000 0.463 226 A N 2.135 125.014 122.820 0.099 0.000 2.294 226 A HA 0.696 5.015 4.320 -0.002 0.000 0.330 226 A C -1.113 176.378 177.584 -0.155 0.000 1.133 226 A CA -0.834 51.150 52.037 -0.089 0.000 0.836 226 A CB 1.674 20.626 19.000 -0.080 0.000 1.190 226 A HN 0.825 nan 8.150 nan 0.000 0.492 227 Q N 0.839 120.462 119.800 -0.295 0.000 2.304 227 Q HA 0.597 4.936 4.340 -0.002 0.000 0.270 227 Q C -2.112 173.680 176.000 -0.347 0.000 1.035 227 Q CA -0.353 55.358 55.803 -0.152 0.000 0.781 227 Q CB 1.146 29.989 28.738 0.175 0.000 1.261 227 Q HN 0.594 nan 8.270 nan 0.000 0.444 228 F N 2.142 122.208 119.950 0.194 0.000 2.480 228 F HA 0.465 4.991 4.527 -0.002 0.000 0.329 228 F C 0.362 176.329 175.800 0.280 0.000 1.091 228 F CA -0.904 57.198 58.000 0.170 0.000 0.972 228 F CB 1.523 40.547 39.000 0.040 0.000 1.150 228 F HN 0.437 nan 8.300 nan 0.000 0.467 229 N N 1.561 120.504 118.700 0.405 0.000 2.491 229 N HA 0.236 4.975 4.740 -0.002 0.000 0.274 229 N C -0.923 174.766 175.510 0.298 0.000 1.023 229 N CA -0.337 52.898 53.050 0.307 0.000 0.902 229 N CB 1.117 39.730 38.487 0.210 0.000 1.267 229 N HN 0.528 nan 8.380 nan 0.000 0.503 230 D N 1.263 121.852 120.400 0.316 0.000 2.402 230 D HA 0.131 4.770 4.640 -0.002 0.000 0.216 230 D C 1.194 177.605 176.300 0.185 0.000 1.128 230 D CA 0.214 54.379 54.000 0.274 0.000 0.833 230 D CB 0.545 41.569 40.800 0.373 0.000 0.971 230 D HN 0.484 nan 8.370 nan 0.000 0.503 231 T N 0.533 115.178 114.554 0.151 0.000 2.649 231 T HA -0.214 4.135 4.350 -0.002 0.000 0.268 231 T C 1.263 176.016 174.700 0.088 0.000 1.036 231 T CA 1.343 63.505 62.100 0.104 0.000 1.157 231 T CB -0.045 68.874 68.868 0.086 0.000 0.861 231 T HN 0.335 nan 8.240 nan 0.000 0.445 232 E N 0.387 120.641 120.200 0.089 0.000 2.465 232 E HA 0.184 4.533 4.350 -0.002 0.000 0.195 232 E C -0.427 176.217 176.600 0.074 0.000 1.028 232 E CA -0.190 56.253 56.400 0.070 0.000 0.899 232 E CB 0.556 30.291 29.700 0.059 0.000 1.032 232 E HN 0.229 nan 8.360 nan 0.000 0.468 233 V N 3.697 123.668 119.914 0.095 0.000 2.488 233 V HA 0.116 4.235 4.120 -0.002 0.000 0.277 233 V C -1.971 174.172 176.094 0.082 0.000 1.046 233 V CA -1.529 60.829 62.300 0.096 0.000 0.986 233 V CB 0.557 32.456 31.823 0.126 0.000 0.989 233 V HN 0.040 nan 8.190 nan 0.000 0.475 234 P HA 0.244 nan 4.420 nan 0.000 0.271 234 P C -0.741 176.588 177.300 0.049 0.000 1.233 234 P CA -0.246 62.884 63.100 0.051 0.000 0.789 234 P CB 0.516 32.244 31.700 0.047 0.000 0.951 235 L N 1.913 123.144 121.223 0.014 0.000 2.309 235 L HA 0.423 4.762 4.340 -0.002 0.000 0.282 235 L C 0.243 177.065 176.870 -0.080 0.000 1.036 235 L CA -0.898 53.933 54.840 -0.015 0.000 0.806 235 L CB 1.049 43.094 42.059 -0.023 0.000 1.220 235 L HN 0.284 nan 8.230 nan 0.000 0.429 236 I N 3.004 123.483 120.570 -0.151 0.000 2.396 236 I HA 0.316 4.485 4.170 -0.002 0.000 0.292 236 I C -0.251 175.719 176.117 -0.246 0.000 0.999 236 I CA -0.115 61.008 61.300 -0.295 0.000 1.310 236 I CB 1.365 38.964 38.000 -0.669 0.000 1.404 236 I HN 0.710 nan 8.210 nan 0.000 0.496 237 E N 7.690 127.763 120.200 -0.212 0.000 2.248 237 E HA 0.506 4.854 4.350 -0.002 0.000 0.267 237 E C -1.772 174.751 176.600 -0.128 0.000 0.877 237 E CA -0.539 55.730 56.400 -0.218 0.000 0.759 237 E CB 2.528 32.135 29.700 -0.155 0.000 1.182 237 E HN 0.497 nan 8.360 nan 0.000 0.418 238 Y N -1.896 118.317 120.300 -0.146 0.000 2.638 238 Y HA 0.526 5.075 4.550 -0.002 0.000 0.335 238 Y C -0.784 175.043 175.900 -0.123 0.000 1.155 238 Y CA -1.275 56.744 58.100 -0.136 0.000 1.046 238 Y CB 0.766 39.148 38.460 -0.129 0.000 1.303 238 Y HN 0.210 nan 8.280 nan 0.000 0.460 239 S N 1.798 117.498 115.700 -0.000 0.000 2.565 239 S HA 0.490 4.959 4.470 -0.002 0.000 0.274 239 S C -1.391 173.090 174.600 -0.199 0.000 1.309 239 S CA -0.370 57.683 58.200 -0.245 0.000 1.043 239 S CB 0.382 63.277 63.200 -0.509 0.000 0.939 239 S HN 0.523 nan 8.310 nan 0.000 0.504 240 F N 2.419 122.136 119.950 -0.388 0.000 2.477 240 F HA 0.450 4.976 4.527 -0.002 0.000 0.335 240 F C -0.310 175.290 175.800 -0.334 0.000 1.130 240 F CA -0.924 56.932 58.000 -0.240 0.000 0.948 240 F CB 0.836 39.814 39.000 -0.037 0.000 1.154 240 F HN 0.629 nan 8.300 nan 0.000 0.439 241 Y N 2.751 122.801 120.300 -0.417 0.000 2.476 241 Y HA 0.146 4.695 4.550 -0.002 0.000 0.283 241 Y C 1.693 177.453 175.900 -0.233 0.000 1.109 241 Y CA 1.067 59.018 58.100 -0.249 0.000 1.246 241 Y CB -0.546 37.777 38.460 -0.227 0.000 1.068 241 Y HN 0.753 nan 8.280 nan 0.000 0.552 242 S N -0.299 115.187 115.700 -0.357 0.000 3.443 242 S HA -0.229 4.240 4.470 -0.002 0.000 0.635 242 S C -0.450 174.144 174.600 -0.011 0.000 2.555 242 S CA 0.344 58.495 58.200 -0.081 0.000 2.778 242 S CB -1.195 62.098 63.200 0.155 0.000 0.331 242 S HN 0.439 nan 8.310 nan 0.000 1.765 243 D N 1.555 121.985 120.400 0.051 0.000 2.382 243 D HA 0.156 4.795 4.640 -0.002 0.000 0.240 243 D C 1.412 177.728 176.300 0.027 0.000 1.146 243 D CA 0.445 54.468 54.000 0.038 0.000 0.897 243 D CB 0.357 41.187 40.800 0.051 0.000 1.197 243 D HN 0.605 nan 8.370 nan 0.000 0.432 244 E N 0.680 120.888 120.200 0.013 0.000 2.169 244 E HA -0.275 4.074 4.350 -0.002 0.000 0.202 244 E C 1.586 178.192 176.600 0.009 0.000 1.016 244 E CA 1.665 58.067 56.400 0.003 0.000 0.817 244 E CB 0.132 29.830 29.700 -0.003 0.000 0.736 244 E HN 0.464 nan 8.360 nan 0.000 0.462 245 S N 0.038 115.750 115.700 0.020 0.000 2.447 245 S HA -0.083 4.386 4.470 -0.002 0.000 0.233 245 S C 1.140 175.759 174.600 0.031 0.000 1.006 245 S CA 0.084 58.297 58.200 0.023 0.000 0.957 245 S CB -0.163 63.054 63.200 0.028 0.000 0.773 245 S HN 0.240 nan 8.310 nan 0.000 0.507 246 L N 2.222 123.470 121.223 0.041 0.000 2.418 246 L HA 0.162 4.500 4.340 -0.002 0.000 0.274 246 L C 1.516 178.410 176.870 0.039 0.000 1.135 246 L CA 0.082 54.957 54.840 0.059 0.000 0.870 246 L CB 1.174 43.279 42.059 0.077 0.000 1.154 246 L HN 0.437 nan 8.230 nan 0.000 0.462 247 Q N 4.082 123.910 119.800 0.047 0.000 2.123 247 Q HA -0.056 4.283 4.340 -0.002 0.000 0.196 247 Q C -0.580 175.315 176.000 -0.174 0.000 0.958 247 Q CA 1.083 56.856 55.803 -0.049 0.000 0.841 247 Q CB 0.218 28.951 28.738 -0.008 0.000 0.915 247 Q HN 0.597 nan 8.270 nan 0.000 0.455 248 Y N 1.173 121.483 120.300 0.017 0.000 2.331 248 Y HA 0.369 4.918 4.550 -0.002 0.000 0.338 248 Y C -2.040 173.864 175.900 0.007 0.000 0.992 248 Y CA -2.960 55.146 58.100 0.010 0.000 1.121 248 Y CB 1.123 39.582 38.460 -0.001 0.000 1.184 248 Y HN 0.175 nan 8.280 nan 0.000 0.469 249 P HA 0.005 nan 4.420 nan 0.000 0.266 249 P C -0.644 176.658 177.300 0.003 0.000 1.195 249 P CA -0.380 62.721 63.100 0.002 0.000 0.768 249 P CB 0.675 32.313 31.700 -0.104 0.000 0.838 250 K N 1.493 121.889 120.400 -0.007 0.000 2.144 250 K HA 0.331 4.649 4.320 -0.002 0.000 0.270 250 K C -0.646 175.916 176.600 -0.063 0.000 1.005 250 K CA -0.344 55.945 56.287 0.003 0.000 0.932 250 K CB 0.487 33.026 32.500 0.065 0.000 1.021 250 K HN 0.319 nan 8.250 nan 0.000 0.462 251 T N 3.070 117.571 114.554 -0.088 0.000 2.749 251 T HA 0.238 4.587 4.350 -0.002 0.000 0.287 251 T C -0.578 174.001 174.700 -0.202 0.000 0.970 251 T CA -0.664 61.345 62.100 -0.151 0.000 0.980 251 T CB 1.087 69.878 68.868 -0.128 0.000 0.924 251 T HN 0.312 nan 8.240 nan 0.000 0.456 252 V N 5.195 124.893 119.914 -0.361 0.000 2.607 252 V HA 0.474 4.593 4.120 -0.002 0.000 0.289 252 V C 0.421 176.253 176.094 -0.436 0.000 1.053 252 V CA -0.562 61.475 62.300 -0.438 0.000 0.996 252 V CB 1.058 32.458 31.823 -0.706 0.000 0.995 252 V HN 0.721 nan 8.190 nan 0.000 0.476 253 R N 2.951 123.317 120.500 -0.224 0.000 2.502 253 R HA 0.741 5.080 4.340 -0.002 0.000 0.300 253 R C -1.798 174.487 176.300 -0.026 0.000 0.984 253 R CA -0.543 55.469 56.100 -0.146 0.000 0.882 253 R CB 2.303 32.548 30.300 -0.092 0.000 1.180 253 R HN 0.528 nan 8.270 nan 0.000 0.444 254 V N 3.795 123.693 119.914 -0.027 0.000 2.638 254 V HA 0.366 4.485 4.120 -0.002 0.000 0.306 254 V C -2.426 173.707 176.094 0.064 0.000 1.052 254 V CA -2.407 59.940 62.300 0.078 0.000 0.885 254 V CB 2.226 34.054 31.823 0.009 0.000 0.999 254 V HN 0.627 nan 8.190 nan 0.000 0.424 255 P HA 0.210 nan 4.420 nan 0.000 0.271 255 P C -1.347 176.039 177.300 0.144 0.000 1.233 255 P CA 0.229 63.420 63.100 0.152 0.000 0.764 255 P CB -0.089 31.743 31.700 0.220 0.000 0.825 256 Y N 6.160 126.421 120.300 -0.065 0.000 2.317 256 Y HA 0.342 4.891 4.550 -0.002 0.000 0.329 256 Y C -2.747 173.105 175.900 -0.079 0.000 1.101 256 Y CA -2.872 55.130 58.100 -0.163 0.000 1.228 256 Y CB 1.592 39.833 38.460 -0.364 0.000 1.123 256 Y HN 0.281 nan 8.280 nan 0.000 0.457 257 P HA 0.210 nan 4.420 nan 0.000 0.281 257 P C -0.807 176.513 177.300 0.033 0.000 1.286 257 P CA -0.010 63.102 63.100 0.021 0.000 0.772 257 P CB 1.268 32.968 31.700 0.001 0.000 0.862 258 K N 1.978 122.491 120.400 0.188 0.000 2.117 258 K HA 0.513 4.832 4.320 -0.002 0.000 0.240 258 K C 0.518 177.208 176.600 0.149 0.000 1.031 258 K CA -0.793 55.627 56.287 0.222 0.000 0.909 258 K CB 0.605 33.257 32.500 0.253 0.000 1.097 258 K HN 0.431 nan 8.250 nan 0.000 0.492 259 A N 0.633 123.569 122.820 0.192 0.000 2.545 259 A HA 0.322 4.641 4.320 -0.002 0.000 0.253 259 A C 1.116 178.739 177.584 0.065 0.000 1.074 259 A CA 0.982 53.123 52.037 0.174 0.000 0.760 259 A CB -1.186 18.003 19.000 0.314 0.000 1.005 259 A HN 0.889 nan 8.150 nan 0.000 0.506 260 G N 0.923 109.751 108.800 0.047 0.000 2.195 260 G HA2 0.140 4.099 3.960 -0.002 0.000 0.246 260 G HA3 0.140 4.099 3.960 -0.002 0.000 0.246 260 G C 0.616 175.526 174.900 0.017 0.000 0.984 260 G CA 0.522 45.623 45.100 0.001 0.000 0.633 260 G HN 2.105 nan 8.290 nan 0.000 0.525 261 A N -0.177 122.668 122.820 0.041 0.000 2.246 261 A HA 0.776 5.095 4.320 -0.002 0.000 0.291 261 A C 0.870 178.479 177.584 0.042 0.000 1.103 261 A CA 0.256 52.320 52.037 0.044 0.000 0.844 261 A CB 0.737 19.776 19.000 0.065 0.000 1.136 261 A HN 1.183 nan 8.150 nan 0.000 0.500 262 V N 1.855 121.795 119.914 0.043 0.000 2.540 262 V HA -0.037 4.082 4.120 -0.002 0.000 0.297 262 V C 0.656 176.786 176.094 0.061 0.000 1.024 262 V CA 0.496 62.823 62.300 0.045 0.000 1.105 262 V CB -0.496 31.355 31.823 0.047 0.000 0.938 262 V HN 0.867 nan 8.190 nan 0.000 0.482 263 N N 5.893 124.628 118.700 0.059 0.000 2.495 263 N HA 0.410 5.149 4.740 -0.002 0.000 0.280 263 N C -2.437 173.147 175.510 0.125 0.000 1.168 263 N CA -1.323 51.782 53.050 0.092 0.000 0.978 263 N CB 1.176 39.714 38.487 0.084 0.000 1.191 263 N HN 0.478 nan 8.380 nan 0.000 0.497 264 P HA 0.007 nan 4.420 nan 0.000 0.269 264 P C -0.720 176.736 177.300 0.260 0.000 1.215 264 P CA -0.072 63.182 63.100 0.257 0.000 0.780 264 P CB 0.491 32.396 31.700 0.341 0.000 0.898 265 T N -1.427 113.266 114.554 0.232 0.000 2.945 265 T HA 0.569 4.918 4.350 -0.002 0.000 0.286 265 T C -0.360 174.479 174.700 0.231 0.000 1.025 265 T CA -0.869 61.333 62.100 0.171 0.000 1.039 265 T CB 1.528 70.460 68.868 0.107 0.000 1.068 265 T HN 0.315 nan 8.240 nan 0.000 0.497 266 V N 1.026 121.053 119.914 0.188 0.000 2.789 266 V HA 0.710 4.829 4.120 -0.002 0.000 0.311 266 V C -1.222 174.967 176.094 0.158 0.000 1.073 266 V CA -0.813 61.560 62.300 0.121 0.000 0.921 266 V CB 1.910 33.839 31.823 0.176 0.000 1.009 266 V HN 1.034 nan 8.190 nan 0.000 0.426 267 K N 4.608 125.049 120.400 0.067 0.000 2.340 267 K HA 0.597 4.916 4.320 -0.002 0.000 0.244 267 K C -1.815 174.765 176.600 -0.033 0.000 0.973 267 K CA -0.552 55.764 56.287 0.047 0.000 0.828 267 K CB 2.757 35.291 32.500 0.057 0.000 1.226 267 K HN 0.558 nan 8.250 nan 0.000 0.437 268 F N 1.751 121.459 119.950 -0.403 0.000 2.520 268 F HA 0.548 5.075 4.527 -0.002 0.000 0.322 268 F C -1.497 173.802 175.800 -0.835 0.000 1.103 268 F CA -0.675 57.060 58.000 -0.441 0.000 0.926 268 F CB 0.905 39.742 39.000 -0.272 0.000 1.154 268 F HN 0.362 nan 8.300 nan 0.000 0.453 269 F N 4.188 123.409 119.950 -1.215 0.000 2.588 269 F HA 0.720 5.246 4.527 -0.002 0.000 0.310 269 F C -1.013 174.165 175.800 -1.036 0.000 1.082 269 F CA -1.127 56.273 58.000 -0.999 0.000 0.929 269 F CB 2.171 40.419 39.000 -1.254 0.000 1.254 269 F HN 0.119 nan 8.300 nan 0.000 0.455 270 V N 3.029 122.726 119.914 -0.362 0.000 2.588 270 V HA 0.660 4.779 4.120 -0.002 0.000 0.304 270 V C -0.868 175.301 176.094 0.125 0.000 1.042 270 V CA -0.842 61.332 62.300 -0.211 0.000 0.877 270 V CB 1.915 33.426 31.823 -0.520 0.000 0.996 270 V HN 0.527 nan 8.190 nan 0.000 0.425 271 V N 3.202 123.261 119.914 0.243 0.000 2.555 271 V HA 0.470 4.589 4.120 -0.002 0.000 0.302 271 V C -0.061 176.280 176.094 0.412 0.000 1.038 271 V CA -0.814 61.667 62.300 0.301 0.000 0.887 271 V CB 2.090 34.038 31.823 0.208 0.000 0.991 271 V HN 0.876 nan 8.190 nan 0.000 0.434 272 N N 2.499 121.439 118.700 0.401 0.000 2.406 272 N HA 0.133 4.872 4.740 -0.002 0.000 0.251 272 N C 0.857 176.411 175.510 0.073 0.000 1.069 272 N CA 0.150 53.362 53.050 0.271 0.000 0.947 272 N CB 1.669 40.317 38.487 0.269 0.000 1.111 272 N HN 0.703 nan 8.380 nan 0.000 0.497 273 T N 1.705 116.269 114.554 0.016 0.000 3.055 273 T HA -0.013 4.336 4.350 -0.002 0.000 0.265 273 T C 0.437 175.107 174.700 -0.051 0.000 1.111 273 T CA 0.738 62.848 62.100 0.016 0.000 1.118 273 T CB 0.137 69.108 68.868 0.172 0.000 0.909 273 T HN 0.483 nan 8.240 nan 0.000 0.501 274 D N 1.280 121.630 120.400 -0.084 0.000 2.349 274 D HA 0.042 4.681 4.640 -0.002 0.000 0.215 274 D C 1.298 177.562 176.300 -0.059 0.000 1.016 274 D CA 0.356 54.308 54.000 -0.080 0.000 0.870 274 D CB 0.108 40.842 40.800 -0.109 0.000 0.917 274 D HN 0.452 nan 8.370 nan 0.000 0.524 275 S N -0.127 115.544 115.700 -0.048 0.000 2.581 275 S HA 0.300 4.769 4.470 -0.002 0.000 0.245 275 S C 0.203 174.773 174.600 -0.050 0.000 1.115 275 S CA -0.627 57.562 58.200 -0.018 0.000 1.093 275 S CB -0.257 62.966 63.200 0.038 0.000 0.853 275 S HN -0.018 nan 8.310 nan 0.000 0.479 276 L N 2.032 123.157 121.223 -0.163 0.000 2.312 276 L HA 0.613 4.952 4.340 -0.002 0.000 0.281 276 L C 0.350 177.102 176.870 -0.197 0.000 1.070 276 L CA -0.364 54.294 54.840 -0.303 0.000 0.805 276 L CB 1.677 43.275 42.059 -0.768 0.000 1.174 276 L HN 0.381 nan 8.230 nan 0.000 0.434 277 S N 0.146 115.861 115.700 0.025 0.000 2.532 277 S HA 0.318 4.787 4.470 -0.002 0.000 0.301 277 S C 0.767 175.603 174.600 0.394 0.000 1.083 277 S CA -0.525 57.797 58.200 0.202 0.000 1.025 277 S CB 1.754 65.030 63.200 0.127 0.000 1.056 277 S HN 0.651 nan 8.310 nan 0.000 0.494 278 S N 2.822 118.733 115.700 0.351 0.000 2.562 278 S HA 0.053 4.522 4.470 -0.002 0.000 0.221 278 S C 1.200 175.884 174.600 0.141 0.000 0.975 278 S CA 0.277 58.602 58.200 0.209 0.000 0.918 278 S CB -0.071 63.181 63.200 0.087 0.000 0.772 278 S HN 0.496 nan 8.310 nan 0.000 0.531 279 V N 1.069 121.066 119.914 0.137 0.000 2.690 279 V HA 0.115 4.234 4.120 -0.002 0.000 0.240 279 V C 1.069 177.222 176.094 0.098 0.000 1.078 279 V CA 1.025 63.383 62.300 0.098 0.000 1.102 279 V CB -0.249 31.619 31.823 0.075 0.000 0.800 279 V HN 0.427 nan 8.190 nan 0.000 0.479 280 T N 0.840 115.459 114.554 0.108 0.000 2.934 280 T HA 0.321 4.670 4.350 -0.002 0.000 0.283 280 T C -0.085 174.688 174.700 0.123 0.000 1.005 280 T CA -0.416 61.738 62.100 0.091 0.000 1.041 280 T CB 0.878 69.791 68.868 0.076 0.000 1.042 280 T HN 0.135 nan 8.240 nan 0.000 0.505 281 N N 1.030 119.790 118.700 0.100 0.000 2.467 281 N HA 0.395 5.134 4.740 -0.002 0.000 0.262 281 N C -0.125 175.464 175.510 0.131 0.000 1.234 281 N CA -0.293 52.840 53.050 0.139 0.000 0.952 281 N CB 0.691 39.224 38.487 0.077 0.000 1.158 281 N HN 0.784 nan 8.380 nan 0.000 0.463 282 A N 0.961 123.873 122.820 0.154 0.000 2.450 282 A HA 0.236 4.555 4.320 -0.002 0.000 0.255 282 A C 0.087 177.738 177.584 0.112 0.000 1.096 282 A CA -0.059 52.044 52.037 0.110 0.000 0.778 282 A CB -0.167 18.881 19.000 0.079 0.000 1.031 282 A HN 0.520 nan 8.150 nan 0.000 0.494 283 T N 3.201 117.826 114.554 0.117 0.000 2.747 283 T HA 0.333 4.682 4.350 -0.002 0.000 0.301 283 T C 0.231 175.035 174.700 0.173 0.000 0.952 283 T CA 0.149 62.330 62.100 0.135 0.000 0.983 283 T CB 0.236 69.186 68.868 0.137 0.000 0.930 283 T HN 0.534 nan 8.240 nan 0.000 0.494 284 S N 4.256 120.061 115.700 0.175 0.000 2.438 284 S HA 0.390 4.859 4.470 -0.002 0.000 0.293 284 S C 0.303 175.074 174.600 0.285 0.000 1.141 284 S CA -0.843 57.494 58.200 0.229 0.000 1.080 284 S CB 0.325 63.637 63.200 0.186 0.000 0.978 284 S HN 0.474 nan 8.310 nan 0.000 0.479 285 I N 3.353 124.089 120.570 0.275 0.000 2.371 285 I HA 0.249 4.418 4.170 -0.002 0.000 0.290 285 I C 0.612 176.814 176.117 0.141 0.000 1.028 285 I CA -0.226 61.225 61.300 0.252 0.000 1.345 285 I CB 0.709 38.926 38.000 0.361 0.000 1.407 285 I HN 0.671 nan 8.210 nan 0.000 0.501 286 Q N 6.219 126.055 119.800 0.061 0.000 2.259 286 Q HA 0.525 4.864 4.340 -0.002 0.000 0.249 286 Q C -1.147 174.762 176.000 -0.153 0.000 0.914 286 Q CA -0.445 55.194 55.803 -0.273 0.000 0.904 286 Q CB 1.304 29.852 28.738 -0.317 0.000 1.213 286 Q HN 0.560 nan 8.270 nan 0.000 0.428 287 I N 3.632 124.094 120.570 -0.180 0.000 2.382 287 I HA 0.247 4.416 4.170 -0.002 0.000 0.286 287 I C 0.045 176.131 176.117 -0.052 0.000 1.002 287 I CA -0.824 60.447 61.300 -0.049 0.000 1.135 287 I CB 1.728 39.729 38.000 0.000 0.000 1.288 287 I HN 0.659 nan 8.210 nan 0.000 0.448 288 T N 2.854 117.350 114.554 -0.097 0.000 2.909 288 T HA 0.669 5.018 4.350 -0.002 0.000 0.289 288 T C 0.431 174.932 174.700 -0.333 0.000 1.005 288 T CA -0.805 61.189 62.100 -0.178 0.000 1.084 288 T CB 1.617 70.380 68.868 -0.175 0.000 0.975 288 T HN 0.637 nan 8.240 nan 0.000 0.509 289 A N 4.000 126.391 122.820 -0.714 0.000 2.536 289 A HA 0.440 4.759 4.320 -0.002 0.000 0.234 289 A C -1.919 175.162 177.584 -0.838 0.000 1.076 289 A CA -0.980 50.164 52.037 -1.487 0.000 0.769 289 A CB -1.070 16.765 19.000 -1.941 0.000 1.020 289 A HN 0.751 nan 8.150 nan 0.000 0.508 290 P HA 0.150 nan 4.420 nan 0.000 0.270 290 P C 0.759 177.832 177.300 -0.379 0.000 1.227 290 P CA 0.707 63.556 63.100 -0.417 0.000 0.788 290 P CB 0.454 31.972 31.700 -0.304 0.000 0.926 291 A N 1.087 123.762 122.820 -0.241 0.000 1.968 291 A HA -0.126 4.192 4.320 -0.002 0.000 0.217 291 A C 2.021 179.492 177.584 -0.188 0.000 1.169 291 A CA 1.850 53.767 52.037 -0.200 0.000 0.638 291 A CB -1.669 17.249 19.000 -0.137 0.000 0.812 291 A HN 0.598 nan 8.150 nan 0.000 0.446 292 S N -1.049 114.558 115.700 -0.155 0.000 2.474 292 S HA -0.045 4.424 4.470 -0.002 0.000 0.235 292 S C 1.682 176.191 174.600 -0.152 0.000 0.997 292 S CA 1.293 59.421 58.200 -0.120 0.000 0.949 292 S CB -0.264 62.924 63.200 -0.020 0.000 0.766 292 S HN 0.392 nan 8.310 nan 0.000 0.517 293 M N 0.160 119.606 119.600 -0.256 0.000 2.466 293 M HA 0.317 4.795 4.480 -0.002 0.000 0.265 293 M C 1.489 177.527 176.300 -0.437 0.000 1.122 293 M CA 0.488 55.574 55.300 -0.356 0.000 1.157 293 M CB -1.013 31.227 32.600 -0.600 0.000 1.352 293 M HN 0.317 nan 8.290 nan 0.000 0.464 294 L N 1.429 122.401 121.223 -0.418 0.000 2.362 294 L HA -0.080 4.259 4.340 -0.002 0.000 0.219 294 L C 2.207 179.000 176.870 -0.127 0.000 1.134 294 L CA 1.252 55.917 54.840 -0.293 0.000 0.807 294 L CB -1.112 40.795 42.059 -0.253 0.000 0.927 294 L HN 0.319 nan 8.230 nan 0.000 0.447 295 I N -3.982 116.516 120.570 -0.121 0.000 3.001 295 I HA 0.243 4.412 4.170 -0.002 0.000 0.268 295 I C 1.045 177.136 176.117 -0.043 0.000 1.267 295 I CA 0.499 61.752 61.300 -0.078 0.000 1.472 295 I CB -0.487 37.457 38.000 -0.092 0.000 1.089 295 I HN 0.119 nan 8.210 nan 0.000 0.468 296 G N 0.093 108.886 108.800 -0.011 0.000 2.634 296 G HA2 0.245 4.204 3.960 -0.002 0.000 0.309 296 G HA3 0.245 4.204 3.960 -0.002 0.000 0.309 296 G C -1.808 173.142 174.900 0.084 0.000 1.299 296 G CA -0.601 44.507 45.100 0.013 0.000 0.798 296 G HN 0.022 nan 8.290 nan 0.000 0.490 297 D N 0.892 121.291 120.400 -0.002 0.000 2.414 297 D HA 0.494 5.132 4.640 -0.002 0.000 0.242 297 D C 0.183 176.414 176.300 -0.115 0.000 1.129 297 D CA 0.863 54.800 54.000 -0.105 0.000 0.885 297 D CB 0.923 41.632 40.800 -0.152 0.000 1.198 297 D HN 0.633 nan 8.370 nan 0.000 0.437 298 H N -1.578 117.341 119.070 -0.252 0.000 2.981 298 H HA 0.556 5.111 4.556 -0.002 0.000 0.327 298 H C -1.632 173.541 175.328 -0.258 0.000 1.342 298 H CA -0.987 54.923 56.048 -0.230 0.000 1.123 298 H CB 0.416 30.164 29.762 -0.023 0.000 1.851 298 H HN 0.213 nan 8.280 nan 0.000 0.531 299 Y N 0.106 120.614 120.300 0.347 0.000 2.524 299 Y HA 0.342 4.891 4.550 -0.002 0.000 0.344 299 Y C -0.307 175.878 175.900 0.476 0.000 1.012 299 Y CA -1.344 56.965 58.100 0.350 0.000 1.068 299 Y CB 1.944 40.466 38.460 0.104 0.000 1.249 299 Y HN 0.575 nan 8.280 nan 0.000 0.468 300 L N 3.716 125.270 121.223 0.552 0.000 2.278 300 L HA 0.193 4.532 4.340 -0.002 0.000 0.287 300 L C 0.468 177.401 176.870 0.105 0.000 1.072 300 L CA -0.108 54.724 54.840 -0.013 0.000 0.819 300 L CB 0.333 42.302 42.059 -0.151 0.000 1.176 300 L HN 1.136 nan 8.230 nan 0.000 0.435 301 C N 0.905 120.179 119.300 -0.044 0.000 3.188 301 C HA 0.433 4.892 4.460 -0.002 0.000 0.315 301 C C 0.345 175.383 174.990 0.080 0.000 1.285 301 C CA -0.361 58.635 59.018 -0.036 0.000 1.729 301 C CB -0.459 27.268 27.740 -0.021 0.000 2.257 301 C HN 0.852 nan 8.230 nan 0.000 0.645 302 D N -0.203 120.178 120.400 -0.032 0.000 2.886 302 D HA 0.543 5.182 4.640 -0.002 0.000 0.216 302 D C -1.482 174.572 176.300 -0.410 0.000 1.256 302 D CA -0.180 53.779 54.000 -0.069 0.000 0.844 302 D CB 2.215 42.957 40.800 -0.097 0.000 1.669 302 D HN 0.033 nan 8.370 nan 0.000 0.513 303 V N 2.750 122.316 119.914 -0.580 0.000 2.487 303 V HA 0.680 4.799 4.120 -0.002 0.000 0.298 303 V C -0.405 175.285 176.094 -0.673 0.000 1.028 303 V CA -0.436 61.286 62.300 -0.963 0.000 0.860 303 V CB 1.864 32.555 31.823 -1.888 0.000 0.991 303 V HN 0.722 nan 8.190 nan 0.000 0.427 304 T N 3.658 117.899 114.554 -0.522 0.000 2.949 304 T HA 0.338 4.687 4.350 -0.002 0.000 0.300 304 T C -0.843 173.712 174.700 -0.241 0.000 0.988 304 T CA -0.436 61.525 62.100 -0.231 0.000 0.993 304 T CB 0.709 69.539 68.868 -0.064 0.000 0.984 304 T HN 0.541 nan 8.240 nan 0.000 0.442 305 W N 2.219 123.468 121.300 -0.086 0.000 2.253 305 W HA 0.465 5.124 4.660 -0.002 0.000 0.322 305 W C 1.112 177.548 176.519 -0.138 0.000 1.342 305 W CA -0.307 56.990 57.345 -0.080 0.000 1.218 305 W CB 0.568 30.056 29.460 0.047 0.000 1.205 305 W HN 0.848 nan 8.180 nan 0.000 0.551 306 A N 2.042 124.790 122.820 -0.120 0.000 1.944 306 A HA 0.181 4.500 4.320 -0.002 0.000 0.207 306 A C 0.997 178.543 177.584 -0.064 0.000 1.265 306 A CA 1.451 53.199 52.037 -0.483 0.000 0.712 306 A CB -0.382 17.792 19.000 -1.377 0.000 0.915 306 A HN 0.524 nan 8.150 nan 0.000 0.470 307 T N -5.218 109.382 114.554 0.076 0.000 2.604 307 T HA 0.339 4.688 4.350 -0.002 0.000 0.267 307 T C 0.348 175.210 174.700 0.271 0.000 0.923 307 T CA -0.287 61.908 62.100 0.158 0.000 1.077 307 T CB 0.590 69.533 68.868 0.125 0.000 1.392 307 T HN -0.012 nan 8.240 nan 0.000 0.531 308 Q N 0.322 120.249 119.800 0.213 0.000 2.291 308 Q HA 0.073 4.412 4.340 -0.002 0.000 0.205 308 Q C 0.892 177.140 176.000 0.414 0.000 0.970 308 Q CA 1.326 57.258 55.803 0.215 0.000 0.876 308 Q CB -0.020 28.799 28.738 0.136 0.000 0.935 308 Q HN 0.805 nan 8.270 nan 0.000 0.455 309 E N -0.086 120.359 120.200 0.408 0.000 2.758 309 E HA 0.186 4.535 4.350 -0.002 0.000 0.215 309 E C -0.172 176.689 176.600 0.435 0.000 0.985 309 E CA -0.166 56.485 56.400 0.419 0.000 1.102 309 E CB 1.046 30.897 29.700 0.252 0.000 1.042 309 E HN -0.042 nan 8.360 nan 0.000 0.480 310 R N 1.812 122.583 120.500 0.452 0.000 2.502 310 R HA 0.433 4.771 4.340 -0.002 0.000 0.298 310 R C -1.360 174.952 176.300 0.020 0.000 1.018 310 R CA -0.355 55.882 56.100 0.228 0.000 0.899 310 R CB 0.880 31.206 30.300 0.044 0.000 1.181 310 R HN -0.025 nan 8.270 nan 0.000 0.444 311 I N 1.956 122.398 120.570 -0.214 0.000 2.493 311 I HA 0.331 4.500 4.170 -0.002 0.000 0.298 311 I C -0.067 175.751 176.117 -0.499 0.000 0.998 311 I CA -0.937 59.962 61.300 -0.670 0.000 1.137 311 I CB 2.100 39.415 38.000 -1.142 0.000 1.310 311 I HN 0.460 nan 8.210 nan 0.000 0.445 312 S N 6.711 122.098 115.700 -0.522 0.000 2.449 312 S HA 0.702 5.171 4.470 -0.002 0.000 0.310 312 S C -0.835 173.448 174.600 -0.528 0.000 1.096 312 S CA -0.613 57.360 58.200 -0.379 0.000 1.095 312 S CB 0.515 63.627 63.200 -0.147 0.000 1.007 312 S HN 0.465 nan 8.310 nan 0.000 0.474 313 L N 4.498 125.421 121.223 -0.501 0.000 2.362 313 L HA 0.555 4.894 4.340 -0.002 0.000 0.275 313 L C -0.260 176.316 176.870 -0.491 0.000 0.998 313 L CA -0.722 53.710 54.840 -0.680 0.000 0.820 313 L CB 1.982 43.547 42.059 -0.822 0.000 1.270 313 L HN 0.585 nan 8.230 nan 0.000 0.415 314 Q N 1.946 121.425 119.800 -0.536 0.000 2.316 314 Q HA 0.444 4.783 4.340 -0.002 0.000 0.264 314 Q C -1.614 174.160 176.000 -0.376 0.000 0.987 314 Q CA -0.524 55.088 55.803 -0.318 0.000 0.852 314 Q CB 2.419 31.030 28.738 -0.213 0.000 1.287 314 Q HN 0.430 nan 8.270 nan 0.000 0.448 315 W N 2.268 123.535 121.300 -0.055 0.000 2.719 315 W HA 0.690 5.349 4.660 -0.002 0.000 0.352 315 W C -0.810 175.751 176.519 0.070 0.000 1.085 315 W CA -0.587 56.773 57.345 0.025 0.000 1.187 315 W CB 1.304 30.757 29.460 -0.012 0.000 1.417 315 W HN 0.320 nan 8.180 nan 0.000 0.557 316 L N 2.389 123.863 121.223 0.419 0.000 2.470 316 L HA 0.504 4.843 4.340 -0.002 0.000 0.268 316 L C -0.091 176.967 176.870 0.312 0.000 0.964 316 L CA -0.998 54.035 54.840 0.322 0.000 0.839 316 L CB 1.618 43.862 42.059 0.308 0.000 1.276 316 L HN 0.491 nan 8.230 nan 0.000 0.403 317 R N 1.867 122.519 120.500 0.255 0.000 2.679 317 R HA 0.140 4.479 4.340 -0.002 0.000 0.269 317 R C 0.977 177.332 176.300 0.090 0.000 1.076 317 R CA -0.086 56.106 56.100 0.154 0.000 1.160 317 R CB 0.867 31.250 30.300 0.138 0.000 1.054 317 R HN 0.580 nan 8.270 nan 0.000 0.507 318 R N 1.432 121.904 120.500 -0.048 0.000 2.148 318 R HA -0.070 4.269 4.340 -0.002 0.000 0.227 318 R C 0.061 176.400 176.300 0.065 0.000 1.103 318 R CA 1.080 57.138 56.100 -0.069 0.000 0.983 318 R CB 0.001 30.207 30.300 -0.156 0.000 0.874 318 R HN 0.394 nan 8.270 nan 0.000 0.451 319 I N 2.290 122.889 120.570 0.048 0.000 2.329 319 I HA 0.030 4.199 4.170 -0.002 0.000 0.295 319 I C 0.272 176.448 176.117 0.098 0.000 1.109 319 I CA 0.486 61.822 61.300 0.059 0.000 1.297 319 I CB 1.270 39.292 38.000 0.037 0.000 1.433 319 I HN 0.051 nan 8.210 nan 0.000 0.509 320 Q N 4.647 124.503 119.800 0.093 0.000 2.414 320 Q HA 0.051 4.390 4.340 -0.002 0.000 0.286 320 Q C 0.413 176.496 176.000 0.138 0.000 0.941 320 Q CA -0.043 55.833 55.803 0.121 0.000 0.951 320 Q CB -0.252 28.523 28.738 0.062 0.000 1.188 320 Q HN 0.709 nan 8.270 nan 0.000 0.418 321 N N -0.833 117.949 118.700 0.137 0.000 2.204 321 N HA -0.021 4.718 4.740 -0.002 0.000 0.219 321 N C -1.050 174.566 175.510 0.177 0.000 1.151 321 N CA -0.163 52.959 53.050 0.120 0.000 0.867 321 N CB 0.307 38.842 38.487 0.080 0.000 1.043 321 N HN 0.158 nan 8.380 nan 0.000 0.516 322 Y N 0.034 120.363 120.300 0.048 0.000 2.361 322 Y HA 0.572 5.120 4.550 -0.002 0.000 0.328 322 Y C -1.266 174.674 175.900 0.066 0.000 1.044 322 Y CA -0.903 57.224 58.100 0.045 0.000 1.085 322 Y CB 1.810 40.288 38.460 0.029 0.000 1.194 322 Y HN 0.023 nan 8.280 nan 0.000 0.438 323 S N 4.601 120.159 115.700 -0.237 0.000 2.540 323 S HA 0.864 5.333 4.470 -0.002 0.000 0.275 323 S C -2.165 172.334 174.600 -0.168 0.000 1.123 323 S CA -0.497 57.659 58.200 -0.073 0.000 0.907 323 S CB 1.319 64.508 63.200 -0.018 0.000 1.081 323 S HN 0.468 nan 8.310 nan 0.000 0.476 324 V N 5.064 124.983 119.914 0.009 0.000 2.588 324 V HA 0.561 4.680 4.120 -0.002 0.000 0.304 324 V C -0.257 175.888 176.094 0.085 0.000 1.042 324 V CA -0.675 61.639 62.300 0.024 0.000 0.877 324 V CB 1.733 33.596 31.823 0.067 0.000 0.996 324 V HN 0.959 nan 8.190 nan 0.000 0.425 325 M N 3.692 123.314 119.600 0.036 0.000 2.149 325 M HA 0.554 5.032 4.480 -0.002 0.000 0.342 325 M C -1.266 175.064 176.300 0.049 0.000 1.068 325 M CA -0.283 55.016 55.300 -0.002 0.000 0.991 325 M CB 0.995 33.532 32.600 -0.104 0.000 1.596 325 M HN 0.622 nan 8.290 nan 0.000 0.439 326 D N 4.715 125.132 120.400 0.029 0.000 2.163 326 D HA 0.474 5.113 4.640 -0.002 0.000 0.248 326 D C -0.821 175.455 176.300 -0.041 0.000 1.035 326 D CA 0.002 54.012 54.000 0.018 0.000 0.872 326 D CB 1.518 42.348 40.800 0.050 0.000 1.183 326 D HN 0.447 nan 8.370 nan 0.000 0.445 327 I N 2.511 123.080 120.570 -0.001 0.000 2.382 327 I HA 0.272 4.441 4.170 -0.002 0.000 0.285 327 I C -0.566 175.549 176.117 -0.003 0.000 1.007 327 I CA -0.611 60.683 61.300 -0.011 0.000 1.142 327 I CB 0.586 38.634 38.000 0.081 0.000 1.289 327 I HN 0.287 nan 8.210 nan 0.000 0.453 328 c N 4.720 123.307 118.600 -0.022 0.000 2.379 328 c HA 0.539 5.108 4.570 -0.002 0.000 0.323 328 c C 0.066 174.313 174.090 0.262 0.000 1.262 328 c CA -0.786 55.600 56.329 0.096 0.000 1.581 328 c CB 1.562 44.109 42.510 0.063 0.000 2.221 328 c HN 0.634 nan 8.230 nan 0.000 0.497 329 D N 0.616 121.152 120.400 0.227 0.000 2.350 329 D HA 0.195 4.834 4.640 -0.002 0.000 0.245 329 D C -0.989 175.214 176.300 -0.161 0.000 1.036 329 D CA -0.258 53.816 54.000 0.123 0.000 0.848 329 D CB 1.957 42.782 40.800 0.041 0.000 1.307 329 D HN 0.601 nan 8.370 nan 0.000 0.469 330 Y N 1.835 121.680 120.300 -0.758 0.000 2.465 330 Y HA 0.023 4.572 4.550 -0.002 0.000 0.331 330 Y C 0.168 175.770 175.900 -0.497 0.000 1.102 330 Y CA -0.044 57.354 58.100 -1.171 0.000 1.358 330 Y CB 0.481 38.242 38.460 -1.164 0.000 1.213 330 Y HN 0.162 nan 8.280 nan 0.000 0.525 331 D N 5.712 125.644 120.400 -0.780 0.000 2.380 331 D HA 0.024 4.663 4.640 -0.002 0.000 0.230 331 D C 0.828 176.649 176.300 -0.800 0.000 1.154 331 D CA 0.054 53.718 54.000 -0.561 0.000 0.859 331 D CB 0.716 41.298 40.800 -0.363 0.000 1.045 331 D HN 0.891 nan 8.370 nan 0.000 0.495 332 E N 1.911 121.794 120.200 -0.527 0.000 2.204 332 E HA -0.183 4.166 4.350 -0.002 0.000 0.195 332 E C 1.382 177.836 176.600 -0.244 0.000 0.990 332 E CA 1.015 57.194 56.400 -0.368 0.000 0.821 332 E CB 0.350 30.037 29.700 -0.022 0.000 0.750 332 E HN 0.479 nan 8.360 nan 0.000 0.477 333 S N -0.762 114.813 115.700 -0.209 0.000 2.478 333 S HA -0.037 4.432 4.470 -0.002 0.000 0.222 333 S C 1.893 176.418 174.600 -0.125 0.000 1.008 333 S CA 0.757 58.885 58.200 -0.121 0.000 0.928 333 S CB 0.340 63.487 63.200 -0.087 0.000 0.781 333 S HN 0.239 nan 8.310 nan 0.000 0.518 334 S N -0.323 115.261 115.700 -0.193 0.000 2.520 334 S HA 0.507 4.976 4.470 -0.002 0.000 0.219 334 S C 1.587 176.100 174.600 -0.145 0.000 1.028 334 S CA 0.512 58.627 58.200 -0.143 0.000 0.921 334 S CB -0.199 62.921 63.200 -0.134 0.000 0.844 334 S HN 1.463 nan 8.310 nan 0.000 0.495 335 G N 1.852 110.481 108.800 -0.285 0.000 2.148 335 G HA2 -0.202 3.757 3.960 -0.002 0.000 0.254 335 G HA3 -0.202 3.757 3.960 -0.002 0.000 0.254 335 G C 0.068 174.892 174.900 -0.127 0.000 0.981 335 G CA 0.062 45.063 45.100 -0.166 0.000 0.670 335 G HN 0.510 nan 8.290 nan 0.000 0.528 336 R N -1.456 118.865 120.500 -0.298 0.000 2.797 336 R HA 0.721 5.060 4.340 -0.002 0.000 0.251 336 R C -0.753 175.364 176.300 -0.305 0.000 1.107 336 R CA -1.044 54.975 56.100 -0.135 0.000 1.084 336 R CB 0.550 30.803 30.300 -0.078 0.000 1.205 336 R HN 0.195 nan 8.270 nan 0.000 0.515 337 W N 0.674 121.969 121.300 -0.009 0.000 2.600 337 W HA 0.404 5.062 4.660 -0.002 0.000 0.325 337 W C -0.352 176.145 176.519 -0.037 0.000 1.034 337 W CA -0.475 56.863 57.345 -0.011 0.000 1.226 337 W CB 1.236 30.689 29.460 -0.011 0.000 1.379 337 W HN 0.202 nan 8.180 nan 0.000 0.466 338 N N 2.576 121.351 118.700 0.125 0.000 2.372 338 N HA 0.417 5.156 4.740 -0.002 0.000 0.285 338 N C -1.426 174.125 175.510 0.068 0.000 1.008 338 N CA -0.509 52.577 53.050 0.059 0.000 0.880 338 N CB 1.643 40.128 38.487 -0.004 0.000 1.239 338 N HN 0.219 nan 8.380 nan 0.000 0.484 339 c N 2.667 121.290 118.600 0.038 0.000 2.250 339 c HA 0.351 4.920 4.570 -0.002 0.000 0.319 339 c C 0.560 174.648 174.090 -0.004 0.000 1.124 339 c CA -0.919 55.421 56.329 0.019 0.000 1.527 339 c CB -1.250 41.260 42.510 0.000 0.000 2.001 339 c HN 0.563 nan 8.230 nan 0.000 0.435 340 L N 3.367 124.589 121.223 -0.001 0.000 2.397 340 L HA 0.247 4.586 4.340 -0.002 0.000 0.271 340 L C 1.122 177.976 176.870 -0.026 0.000 1.148 340 L CA 0.481 55.312 54.840 -0.015 0.000 0.825 340 L CB 1.054 43.107 42.059 -0.009 0.000 1.117 340 L HN 0.576 nan 8.230 nan 0.000 0.456 341 V N 4.544 124.436 119.914 -0.038 0.000 2.970 341 V HA -0.140 3.979 4.120 -0.002 0.000 0.260 341 V C 2.213 178.266 176.094 -0.069 0.000 1.100 341 V CA 1.338 63.607 62.300 -0.053 0.000 1.122 341 V CB -1.188 30.605 31.823 -0.050 0.000 0.721 341 V HN 0.985 nan 8.190 nan 0.000 0.483 342 A N 1.723 124.510 122.820 -0.055 0.000 1.978 342 A HA -0.178 4.141 4.320 -0.002 0.000 0.220 342 A C 2.021 179.546 177.584 -0.098 0.000 1.170 342 A CA 1.587 53.587 52.037 -0.062 0.000 0.636 342 A CB -0.255 18.724 19.000 -0.034 0.000 0.810 342 A HN 0.620 nan 8.150 nan 0.000 0.448 343 R N 0.018 120.472 120.500 -0.078 0.000 2.696 343 R HA 0.238 4.577 4.340 -0.002 0.000 0.355 343 R C -0.089 176.126 176.300 -0.142 0.000 1.138 343 R CA -0.203 55.847 56.100 -0.083 0.000 1.059 343 R CB -0.708 29.647 30.300 0.092 0.000 1.380 343 R HN 0.585 nan 8.270 nan 0.000 0.578 344 Q N 1.334 121.004 119.800 -0.215 0.000 2.256 344 Q HA 0.223 4.561 4.340 -0.002 0.000 0.254 344 Q C -1.216 174.609 176.000 -0.291 0.000 0.916 344 Q CA -0.488 55.232 55.803 -0.138 0.000 0.932 344 Q CB 0.834 29.525 28.738 -0.079 0.000 1.207 344 Q HN 0.375 nan 8.270 nan 0.000 0.426 345 H N 2.587 121.657 119.070 0.001 0.000 2.524 345 H HA 0.491 5.045 4.556 -0.002 0.000 0.353 345 H C -0.729 174.571 175.328 -0.048 0.000 1.136 345 H CA -0.524 55.527 56.048 0.006 0.000 1.193 345 H CB 1.404 31.180 29.762 0.023 0.000 1.558 345 H HN 0.505 nan 8.280 nan 0.000 0.515 346 I N 2.003 122.602 120.570 0.047 0.000 2.441 346 I HA 0.286 4.455 4.170 -0.002 0.000 0.295 346 I C -0.304 175.760 176.117 -0.088 0.000 0.994 346 I CA -0.533 60.706 61.300 -0.103 0.000 1.144 346 I CB 1.717 39.626 38.000 -0.152 0.000 1.314 346 I HN 0.511 nan 8.210 nan 0.000 0.445 347 E N 6.927 127.021 120.200 -0.176 0.000 2.199 347 E HA 0.616 4.965 4.350 -0.002 0.000 0.265 347 E C -1.157 175.338 176.600 -0.175 0.000 0.882 347 E CA -0.648 55.686 56.400 -0.109 0.000 0.759 347 E CB 2.647 32.315 29.700 -0.055 0.000 1.148 347 E HN 0.461 nan 8.360 nan 0.000 0.412 348 M N 1.380 120.927 119.600 -0.090 0.000 2.591 348 M HA 0.387 4.866 4.480 -0.002 0.000 0.306 348 M C -0.586 175.709 176.300 -0.008 0.000 1.190 348 M CA -0.782 54.494 55.300 -0.040 0.000 0.889 348 M CB 2.566 35.175 32.600 0.015 0.000 1.728 348 M HN 0.338 nan 8.290 nan 0.000 0.458 349 S N -0.416 115.283 115.700 -0.002 0.000 2.513 349 S HA 0.551 5.020 4.470 -0.002 0.000 0.299 349 S C 0.135 174.717 174.600 -0.031 0.000 1.087 349 S CA -0.486 57.691 58.200 -0.037 0.000 1.012 349 S CB 1.629 64.765 63.200 -0.107 0.000 1.044 349 S HN 0.746 nan 8.310 nan 0.000 0.485 350 T N 1.846 116.376 114.554 -0.040 0.000 2.990 350 T HA 0.072 4.421 4.350 -0.002 0.000 0.249 350 T C 1.661 176.324 174.700 -0.062 0.000 1.039 350 T CA 0.877 62.960 62.100 -0.029 0.000 1.036 350 T CB 0.021 68.883 68.868 -0.011 0.000 0.994 350 T HN 0.800 nan 8.240 nan 0.000 0.489 351 T N -1.289 113.199 114.554 -0.109 0.000 3.014 351 T HA 0.545 4.894 4.350 -0.002 0.000 0.250 351 T C 1.129 175.595 174.700 -0.389 0.000 1.060 351 T CA 0.440 62.457 62.100 -0.139 0.000 1.040 351 T CB 0.601 69.460 68.868 -0.015 0.000 0.971 351 T HN 0.386 nan 8.240 nan 0.000 0.497 352 G N 0.435 108.865 108.800 -0.618 0.000 2.791 352 G HA2 0.502 4.461 3.960 -0.002 0.000 0.158 352 G HA3 0.502 4.461 3.960 -0.002 0.000 0.158 352 G C -1.697 172.965 174.900 -0.397 0.000 1.193 352 G CA -0.575 43.983 45.100 -0.903 0.000 1.032 352 G HN 0.495 nan 8.290 nan 0.000 0.557 353 W N -0.229 120.853 121.300 -0.364 0.000 2.594 353 W HA 0.779 5.439 4.660 -0.001 0.000 0.365 353 W C -0.499 175.979 176.519 -0.069 0.000 1.196 353 W CA -1.370 55.871 57.345 -0.173 0.000 1.258 353 W CB 0.881 30.215 29.460 -0.209 0.000 1.405 353 W HN 0.275 nan 8.180 nan 0.000 0.640 354 V N 3.011 123.012 119.914 0.146 0.000 2.432 354 V HA 0.692 4.811 4.120 -0.002 0.000 0.275 354 V C 0.796 176.973 176.094 0.138 0.000 1.043 354 V CA 0.435 62.776 62.300 0.068 0.000 0.925 354 V CB -0.059 31.802 31.823 0.062 0.000 0.985 354 V HN 1.300 nan 8.190 nan 0.000 0.466 355 G N 5.154 113.990 108.800 0.060 0.000 2.796 355 G HA2 -0.194 3.765 3.960 -0.002 0.000 0.571 355 G HA3 -0.194 3.765 3.960 -0.002 0.000 0.571 355 G C 0.300 175.280 174.900 0.134 0.000 1.370 355 G CA 0.227 45.386 45.100 0.097 0.000 0.856 355 G HN 0.652 nan 8.290 nan 0.000 0.538 356 R N -0.849 119.715 120.500 0.106 0.000 2.057 356 R HA 0.186 4.525 4.340 -0.002 0.000 0.229 356 R C 1.987 178.191 176.300 -0.161 0.000 1.136 356 R CA 2.087 58.176 56.100 -0.018 0.000 0.952 356 R CB -0.076 30.178 30.300 -0.076 0.000 0.848 356 R HN 0.466 nan 8.270 nan 0.000 0.430 357 F N -0.653 119.441 119.950 0.240 0.000 2.789 357 F HA 0.286 4.812 4.527 -0.002 0.000 0.320 357 F C 0.470 176.311 175.800 0.068 0.000 1.079 357 F CA -0.488 57.597 58.000 0.142 0.000 1.205 357 F CB 0.731 39.811 39.000 0.133 0.000 1.046 357 F HN -0.121 nan 8.300 nan 0.000 0.586 358 R N -0.910 119.742 120.500 0.252 0.000 2.728 358 R HA 0.402 4.741 4.340 -0.002 0.000 0.274 358 R C -3.388 172.990 176.300 0.130 0.000 1.032 358 R CA -1.894 54.292 56.100 0.144 0.000 0.866 358 R CB 0.236 30.592 30.300 0.094 0.000 1.263 358 R HN -0.354 nan 8.270 nan 0.000 0.475 359 P HA -0.042 nan 4.420 nan 0.000 0.264 359 P C -0.157 177.172 177.300 0.047 0.000 1.183 359 P CA 0.240 63.368 63.100 0.048 0.000 0.763 359 P CB 0.638 32.343 31.700 0.008 0.000 0.807 360 S N 1.603 117.332 115.700 0.049 0.000 2.584 360 S HA 0.089 4.558 4.470 -0.002 0.000 0.270 360 S C 0.148 174.757 174.600 0.016 0.000 1.346 360 S CA -0.735 57.508 58.200 0.071 0.000 1.018 360 S CB 0.524 63.782 63.200 0.096 0.000 0.899 360 S HN 0.530 nan 8.310 nan 0.000 0.542 361 E N 1.953 122.179 120.200 0.043 0.000 2.338 361 E HA 0.237 4.586 4.350 -0.002 0.000 0.272 361 E C -2.330 174.207 176.600 -0.106 0.000 1.029 361 E CA -2.277 54.090 56.400 -0.055 0.000 0.872 361 E CB 0.570 30.243 29.700 -0.045 0.000 1.015 361 E HN 0.455 nan 8.360 nan 0.000 0.417 362 P HA 0.154 nan 4.420 nan 0.000 0.280 362 P C -1.328 175.712 177.300 -0.434 0.000 1.244 362 P CA -0.147 62.688 63.100 -0.442 0.000 0.784 362 P CB 0.588 31.686 31.700 -1.002 0.000 0.913 363 H N 1.955 120.955 119.070 -0.116 0.000 2.685 363 H HA 0.395 4.949 4.556 -0.002 0.000 0.307 363 H C -0.277 175.118 175.328 0.113 0.000 1.017 363 H CA -0.232 55.851 56.048 0.058 0.000 1.237 363 H CB -0.069 29.783 29.762 0.150 0.000 1.409 363 H HN 0.239 nan 8.280 nan 0.000 0.488 364 F N 1.301 121.430 119.950 0.297 0.000 2.389 364 F HA 0.196 4.722 4.527 -0.002 0.000 0.337 364 F C 1.347 177.340 175.800 0.322 0.000 1.112 364 F CA -0.657 57.531 58.000 0.314 0.000 1.192 364 F CB 0.920 40.037 39.000 0.194 0.000 1.185 364 F HN 0.405 nan 8.300 nan 0.000 0.552 365 T N 0.181 115.048 114.554 0.522 0.000 2.828 365 T HA 0.170 4.519 4.350 -0.002 0.000 0.290 365 T C 1.372 176.264 174.700 0.319 0.000 1.019 365 T CA -0.791 61.544 62.100 0.393 0.000 1.031 365 T CB 0.684 69.774 68.868 0.370 0.000 1.001 365 T HN 0.627 nan 8.240 nan 0.000 0.531 366 L N 0.932 122.297 121.223 0.237 0.000 2.081 366 L HA -0.166 4.173 4.340 -0.002 0.000 0.212 366 L C 2.362 179.335 176.870 0.171 0.000 1.080 366 L CA 2.443 57.396 54.840 0.187 0.000 0.754 366 L CB -0.672 41.474 42.059 0.145 0.000 0.893 366 L HN 0.908 nan 8.230 nan 0.000 0.433 367 D N -1.849 118.656 120.400 0.174 0.000 2.323 367 D HA -0.005 4.634 4.640 -0.002 0.000 0.209 367 D C 1.454 177.843 176.300 0.149 0.000 0.973 367 D CA 0.910 54.997 54.000 0.146 0.000 0.874 367 D CB -0.026 40.855 40.800 0.135 0.000 0.930 367 D HN 0.289 nan 8.370 nan 0.000 0.521 368 G N 0.076 108.995 108.800 0.199 0.000 2.157 368 G HA2 -0.292 3.667 3.960 -0.002 0.000 0.239 368 G HA3 -0.292 3.667 3.960 -0.002 0.000 0.239 368 G C 0.864 175.908 174.900 0.240 0.000 0.982 368 G CA 0.236 45.434 45.100 0.165 0.000 0.650 368 G HN 0.303 nan 8.290 nan 0.000 0.527 369 N N 0.362 119.210 118.700 0.248 0.000 2.299 369 N HA 0.249 4.988 4.740 -0.002 0.000 0.187 369 N C 0.787 176.429 175.510 0.219 0.000 1.099 369 N CA 1.099 54.273 53.050 0.208 0.000 0.867 369 N CB 0.600 39.173 38.487 0.144 0.000 0.974 369 N HN 0.966 nan 8.380 nan 0.000 0.477 370 S N -0.530 115.352 115.700 0.303 0.000 2.588 370 S HA 0.750 5.219 4.470 -0.002 0.000 0.269 370 S C -1.070 173.684 174.600 0.256 0.000 1.157 370 S CA -1.022 57.251 58.200 0.121 0.000 0.824 370 S CB 1.592 64.773 63.200 -0.033 0.000 1.126 370 S HN 0.107 nan 8.310 nan 0.000 0.464 371 F N -1.819 118.022 119.950 -0.182 0.000 2.686 371 F HA 0.847 5.373 4.527 -0.001 0.000 0.311 371 F C -2.215 173.426 175.800 -0.266 0.000 1.128 371 F CA -1.489 56.349 58.000 -0.270 0.000 0.946 371 F CB 0.610 39.068 39.000 -0.903 0.000 1.336 371 F HN 0.599 nan 8.300 nan 0.000 0.457 372 Y N 1.226 121.666 120.300 0.233 0.000 2.429 372 Y HA 0.696 5.244 4.550 -0.002 0.000 0.342 372 Y C -0.257 175.793 175.900 0.250 0.000 1.004 372 Y CA -1.108 57.119 58.100 0.211 0.000 1.075 372 Y CB 2.057 40.595 38.460 0.130 0.000 1.214 372 Y HN 0.777 nan 8.280 nan 0.000 0.455 373 K N 1.910 122.528 120.400 0.364 0.000 2.556 373 K HA 0.606 4.925 4.320 -0.002 0.000 0.274 373 K C -1.807 174.922 176.600 0.214 0.000 0.966 373 K CA -0.725 55.719 56.287 0.262 0.000 0.865 373 K CB 1.771 34.348 32.500 0.129 0.000 1.444 373 K HN 0.697 nan 8.250 nan 0.000 0.433 374 I N 2.681 123.352 120.570 0.167 0.000 2.441 374 I HA 0.224 4.393 4.170 -0.002 0.000 0.287 374 I C -0.157 176.044 176.117 0.140 0.000 1.049 374 I CA -0.635 60.748 61.300 0.138 0.000 1.381 374 I CB 0.637 38.707 38.000 0.115 0.000 1.409 374 I HN 0.409 nan 8.210 nan 0.000 0.523 375 I N 4.413 125.088 120.570 0.174 0.000 2.769 375 I HA 0.169 4.337 4.170 -0.002 0.000 0.298 375 I C 0.027 176.283 176.117 0.231 0.000 1.128 375 I CA -0.548 60.862 61.300 0.184 0.000 1.031 375 I CB 2.079 40.179 38.000 0.166 0.000 1.235 375 I HN 0.432 nan 8.210 nan 0.000 0.423 376 S N 5.210 120.988 115.700 0.131 0.000 2.531 376 S HA 0.242 4.711 4.470 -0.002 0.000 0.279 376 S C 0.177 174.861 174.600 0.141 0.000 1.305 376 S CA -0.412 57.823 58.200 0.058 0.000 1.058 376 S CB 0.001 63.173 63.200 -0.047 0.000 0.899 376 S HN 0.786 nan 8.310 nan 0.000 0.493 377 N N 2.643 121.339 118.700 -0.005 0.000 2.495 377 N HA 0.212 4.951 4.740 -0.002 0.000 0.294 377 N C 0.827 176.267 175.510 -0.116 0.000 1.276 377 N CA -0.806 52.127 53.050 -0.194 0.000 0.973 377 N CB 0.233 38.175 38.487 -0.910 0.000 1.143 377 N HN 0.738 nan 8.380 nan 0.000 0.589 378 E N -0.414 119.694 120.200 -0.153 0.000 2.267 378 E HA -0.206 4.143 4.350 -0.002 0.000 0.197 378 E C 0.357 176.914 176.600 -0.072 0.000 0.998 378 E CA 1.297 57.651 56.400 -0.078 0.000 0.830 378 E CB 0.110 29.762 29.700 -0.080 0.000 0.751 378 E HN 0.571 nan 8.360 nan 0.000 0.491 379 E N -1.531 118.623 120.200 -0.076 0.000 2.501 379 E HA 0.191 4.539 4.350 -0.002 0.000 0.201 379 E C 0.584 177.169 176.600 -0.024 0.000 1.016 379 E CA 0.514 56.911 56.400 -0.004 0.000 0.920 379 E CB 1.266 31.001 29.700 0.059 0.000 1.023 379 E HN 0.344 nan 8.360 nan 0.000 0.474 380 G N 0.148 108.880 108.800 -0.113 0.000 2.141 380 G HA2 -0.298 3.661 3.960 -0.002 0.000 0.242 380 G HA3 -0.298 3.661 3.960 -0.002 0.000 0.242 380 G C -0.417 174.215 174.900 -0.447 0.000 0.982 380 G CA -0.202 44.731 45.100 -0.278 0.000 0.662 380 G HN 0.240 nan 8.290 nan 0.000 0.527 381 Y N -0.006 120.185 120.300 -0.181 0.000 2.361 381 Y HA 0.681 5.230 4.550 -0.002 0.000 0.332 381 Y C 1.089 176.860 175.900 -0.215 0.000 1.101 381 Y CA -0.895 57.081 58.100 -0.207 0.000 1.137 381 Y CB 1.096 39.435 38.460 -0.201 0.000 1.207 381 Y HN 0.068 nan 8.280 nan 0.000 0.463 382 R N 3.279 123.676 120.500 -0.172 0.000 2.216 382 R HA 0.326 4.665 4.340 -0.002 0.000 0.332 382 R C -0.879 175.195 176.300 -0.376 0.000 1.056 382 R CA -0.191 55.814 56.100 -0.158 0.000 0.901 382 R CB 0.209 30.450 30.300 -0.099 0.000 1.039 382 R HN 0.673 nan 8.270 nan 0.000 0.456 383 H N 1.862 120.925 119.070 -0.010 0.000 2.949 383 H HA 0.322 4.877 4.556 -0.002 0.000 0.356 383 H C -0.187 175.196 175.328 0.093 0.000 1.212 383 H CA -0.922 55.090 56.048 -0.060 0.000 1.136 383 H CB 1.672 31.315 29.762 -0.198 0.000 1.869 383 H HN 0.325 nan 8.280 nan 0.000 0.556 384 I N 1.277 121.919 120.570 0.120 0.000 2.471 384 I HA 0.007 4.176 4.170 -0.002 0.000 0.286 384 I C 0.393 176.546 176.117 0.061 0.000 1.079 384 I CA 0.293 61.628 61.300 0.059 0.000 1.398 384 I CB 0.289 38.234 38.000 -0.091 0.000 1.403 384 I HN 0.160 nan 8.210 nan 0.000 0.530 385 c N 6.961 125.558 118.600 -0.005 0.000 2.456 385 c HA 0.426 4.995 4.570 -0.002 0.000 0.325 385 c C -0.461 173.531 174.090 -0.163 0.000 1.217 385 c CA -0.528 55.620 56.329 -0.302 0.000 1.687 385 c CB 1.071 43.203 42.510 -0.632 0.000 2.270 385 c HN 0.635 nan 8.230 nan 0.000 0.499 386 Y N 4.278 124.268 120.300 -0.518 0.000 2.353 386 Y HA 0.650 5.199 4.550 -0.002 0.000 0.340 386 Y C -1.109 174.341 175.900 -0.749 0.000 0.972 386 Y CA -0.942 56.780 58.100 -0.630 0.000 1.157 386 Y CB 0.179 38.346 38.460 -0.488 0.000 1.157 386 Y HN 0.593 nan 8.280 nan 0.000 0.495 387 F N 4.190 123.376 119.950 -1.273 0.000 2.469 387 F HA 0.487 5.013 4.527 -0.001 0.000 0.332 387 F C -0.181 174.820 175.800 -1.331 0.000 1.103 387 F CA -0.667 56.535 58.000 -1.331 0.000 0.979 387 F CB 1.728 39.564 39.000 -1.940 0.000 1.137 387 F HN 0.354 nan 8.300 nan 0.000 0.463 388 Q N 3.780 123.171 119.800 -0.681 0.000 2.307 388 Q HA 0.321 4.660 4.340 -0.002 0.000 0.262 388 Q C 0.826 176.779 176.000 -0.078 0.000 0.961 388 Q CA -0.720 54.842 55.803 -0.402 0.000 0.882 388 Q CB 2.197 30.741 28.738 -0.323 0.000 1.264 388 Q HN 0.592 nan 8.270 nan 0.000 0.446 389 I N 1.354 121.965 120.570 0.068 0.000 2.147 389 I HA -0.330 3.839 4.170 -0.002 0.000 0.245 389 I C 1.008 177.276 176.117 0.252 0.000 1.059 389 I CA 1.870 63.339 61.300 0.283 0.000 1.320 389 I CB -0.311 37.845 38.000 0.259 0.000 1.021 389 I HN 0.727 nan 8.210 nan 0.000 0.415 390 D N 0.609 121.076 120.400 0.111 0.000 2.368 390 D HA 0.119 4.758 4.640 -0.002 0.000 0.218 390 D C 0.518 176.823 176.300 0.009 0.000 1.112 390 D CA 0.250 54.278 54.000 0.047 0.000 0.834 390 D CB 0.605 41.423 40.800 0.030 0.000 0.953 390 D HN 0.367 nan 8.370 nan 0.000 0.505 391 K N 0.621 121.033 120.400 0.020 0.000 2.350 391 K HA 0.360 4.679 4.320 -0.002 0.000 0.241 391 K C 0.203 176.796 176.600 -0.011 0.000 0.994 391 K CA -0.824 55.450 56.287 -0.021 0.000 0.839 391 K CB 2.512 34.977 32.500 -0.057 0.000 1.244 391 K HN -0.114 nan 8.250 nan 0.000 0.443 392 K N 0.998 121.374 120.400 -0.040 0.000 2.098 392 K HA 0.231 4.550 4.320 -0.002 0.000 0.257 392 K C -0.703 175.849 176.600 -0.080 0.000 0.999 392 K CA -0.569 55.697 56.287 -0.035 0.000 0.924 392 K CB 0.423 32.899 32.500 -0.040 0.000 1.028 392 K HN 0.525 nan 8.250 nan 0.000 0.466 393 D N -1.263 119.094 120.400 -0.072 0.000 9.143 393 D HA -0.210 4.428 4.640 -0.002 0.000 0.348 393 D C -0.219 175.823 176.300 -0.429 0.000 2.867 393 D CA 0.816 54.705 54.000 -0.186 0.000 2.085 393 D CB -0.962 39.740 40.800 -0.163 0.000 1.165 393 D HN 1.047 nan 8.370 nan 0.000 1.153 394 c N -2.851 115.344 118.600 -0.676 0.000 3.161 394 c HA 0.871 5.440 4.570 -0.002 0.000 0.330 394 c C -0.179 173.533 174.090 -0.629 0.000 1.396 394 c CA -0.569 55.168 56.329 -0.987 0.000 1.536 394 c CB 1.681 42.995 42.510 -1.994 0.000 1.978 394 c HN 0.633 nan 8.230 nan 0.000 0.454 395 T N 1.379 115.618 114.554 -0.524 0.000 2.786 395 T HA 0.513 4.862 4.350 -0.002 0.000 0.283 395 T C -0.777 173.744 174.700 -0.297 0.000 0.992 395 T CA 0.171 62.113 62.100 -0.264 0.000 0.954 395 T CB 0.284 69.137 68.868 -0.025 0.000 0.934 395 T HN 0.434 nan 8.240 nan 0.000 0.440 396 F N 3.513 123.356 119.950 -0.178 0.000 2.538 396 F HA 0.233 4.758 4.527 -0.002 0.000 0.371 396 F C 1.627 177.286 175.800 -0.235 0.000 1.087 396 F CA -0.703 57.180 58.000 -0.194 0.000 1.250 396 F CB 0.388 39.273 39.000 -0.193 0.000 1.110 396 F HN 0.571 nan 8.300 nan 0.000 0.570 397 I N -0.779 119.709 120.570 -0.137 0.000 4.139 397 I HA 0.235 4.404 4.170 -0.002 0.000 0.335 397 I C 0.183 176.167 176.117 -0.222 0.000 1.327 397 I CA 0.023 61.082 61.300 -0.400 0.000 1.112 397 I CB 0.139 37.588 38.000 -0.919 0.000 1.058 397 I HN 0.475 nan 8.210 nan 0.000 0.396 398 T N 0.443 114.902 114.554 -0.158 0.000 2.916 398 T HA 0.696 5.045 4.350 -0.002 0.000 0.292 398 T C -0.630 173.680 174.700 -0.651 0.000 1.055 398 T CA -0.662 61.307 62.100 -0.217 0.000 1.009 398 T CB 2.654 71.477 68.868 -0.075 0.000 1.118 398 T HN 0.460 nan 8.240 nan 0.000 0.497 399 K N -0.102 119.743 120.400 -0.925 0.000 2.607 399 K HA 0.756 5.075 4.320 -0.002 0.000 0.287 399 K C -0.548 175.434 176.600 -1.031 0.000 0.996 399 K CA -0.997 54.486 56.287 -1.339 0.000 0.876 399 K CB 1.486 33.587 32.500 -0.667 0.000 1.496 399 K HN 1.559 nan 8.250 nan 0.000 0.415 400 G N 0.030 108.276 108.800 -0.924 0.000 2.339 400 G HA2 0.042 4.001 3.960 -0.002 0.000 0.381 400 G HA3 0.042 4.001 3.960 -0.002 0.000 0.381 400 G C -1.290 173.120 174.900 -0.817 0.000 1.400 400 G CA -0.843 43.882 45.100 -0.625 0.000 1.002 400 G HN 0.455 nan 8.290 nan 0.000 0.633 401 T N 2.790 117.012 114.554 -0.555 0.000 3.455 401 T HA 0.534 4.883 4.350 -0.002 0.000 0.286 401 T C -0.110 174.496 174.700 -0.157 0.000 1.157 401 T CA 1.128 62.773 62.100 -0.758 0.000 1.090 401 T CB -1.248 67.390 68.868 -0.382 0.000 1.112 401 T HN 1.085 nan 8.240 nan 0.000 0.779 402 W N 0.742 121.895 121.300 -0.245 0.000 3.153 402 W HA 0.322 4.980 4.660 -0.002 0.000 0.366 402 W C -1.847 174.646 176.519 -0.045 0.000 0.833 402 W CA -0.916 56.418 57.345 -0.017 0.000 0.919 402 W CB 0.412 29.846 29.460 -0.043 0.000 1.461 402 W HN 0.179 nan 8.180 nan 0.000 0.530 403 E N 0.857 121.267 120.200 0.349 0.000 2.340 403 E HA 0.467 4.816 4.350 -0.002 0.000 0.273 403 E C -1.092 175.649 176.600 0.235 0.000 0.891 403 E CA -1.165 55.231 56.400 -0.007 0.000 0.757 403 E CB 3.349 33.085 29.700 0.061 0.000 1.231 403 E HN 0.210 nan 8.360 nan 0.000 0.439 404 V N 3.181 123.111 119.914 0.027 0.000 2.488 404 V HA 0.018 4.137 4.120 -0.002 0.000 0.277 404 V C 0.914 177.120 176.094 0.187 0.000 1.046 404 V CA 0.231 62.648 62.300 0.196 0.000 0.986 404 V CB 0.615 32.458 31.823 0.034 0.000 0.989 404 V HN 0.656 nan 8.190 nan 0.000 0.475 405 I N 3.252 123.955 120.570 0.221 0.000 2.585 405 I HA 0.305 4.474 4.170 -0.002 0.000 0.254 405 I C 1.187 177.427 176.117 0.205 0.000 1.129 405 I CA 1.071 62.493 61.300 0.203 0.000 1.455 405 I CB -0.207 37.842 38.000 0.082 0.000 1.111 405 I HN 0.784 nan 8.210 nan 0.000 0.433 406 G N -0.324 108.596 108.800 0.200 0.000 2.667 406 G HA2 0.540 4.499 3.960 -0.002 0.000 0.294 406 G HA3 0.540 4.499 3.960 -0.002 0.000 0.294 406 G C -1.328 173.670 174.900 0.163 0.000 1.467 406 G CA -0.590 44.620 45.100 0.185 0.000 0.852 406 G HN -0.085 nan 8.290 nan 0.000 0.521 407 I N 1.496 122.099 120.570 0.056 0.000 2.371 407 I HA 0.247 4.416 4.170 -0.002 0.000 0.290 407 I C 0.767 176.804 176.117 -0.134 0.000 1.028 407 I CA -0.444 60.781 61.300 -0.125 0.000 1.345 407 I CB 1.676 39.371 38.000 -0.507 0.000 1.407 407 I HN 0.497 nan 8.210 nan 0.000 0.501 408 E N 4.792 124.971 120.200 -0.035 0.000 2.330 408 E HA 0.351 4.700 4.350 -0.002 0.000 0.200 408 E C 0.058 176.583 176.600 -0.126 0.000 0.922 408 E CA 0.230 56.655 56.400 0.041 0.000 0.935 408 E CB 0.860 30.678 29.700 0.197 0.000 0.917 408 E HN 0.672 nan 8.360 nan 0.000 0.491 409 A N 0.725 123.369 122.820 -0.294 0.000 2.605 409 A HA 0.596 4.915 4.320 -0.002 0.000 0.294 409 A C -1.825 175.665 177.584 -0.156 0.000 1.062 409 A CA -0.585 51.206 52.037 -0.409 0.000 0.682 409 A CB 1.499 19.700 19.000 -1.331 0.000 1.278 409 A HN 0.054 nan 8.150 nan 0.000 0.410 410 L N 2.447 123.628 121.223 -0.070 0.000 2.439 410 L HA 0.755 5.094 4.340 -0.002 0.000 0.270 410 L C -0.123 176.777 176.870 0.050 0.000 0.972 410 L CA 0.125 54.962 54.840 -0.005 0.000 0.836 410 L CB 1.703 43.788 42.059 0.042 0.000 1.255 410 L HN 1.216 nan 8.230 nan 0.000 0.404 411 T N -0.215 114.387 114.554 0.081 0.000 2.807 411 T HA 0.242 4.591 4.350 -0.002 0.000 0.277 411 T C 1.067 175.810 174.700 0.072 0.000 1.006 411 T CA 0.165 62.326 62.100 0.101 0.000 1.006 411 T CB 1.539 70.508 68.868 0.170 0.000 1.274 411 T HN 0.496 nan 8.240 nan 0.000 0.569 412 S N -0.375 115.366 115.700 0.068 0.000 2.419 412 S HA -0.100 4.369 4.470 -0.002 0.000 0.233 412 S C 0.872 175.457 174.600 -0.025 0.000 1.016 412 S CA 1.621 59.845 58.200 0.040 0.000 0.974 412 S CB -0.817 62.407 63.200 0.041 0.000 0.786 412 S HN 0.684 nan 8.310 nan 0.000 0.492 413 D N -1.209 119.162 120.400 -0.048 0.000 2.431 413 D HA 0.267 4.906 4.640 -0.002 0.000 0.227 413 D C -0.425 175.562 176.300 -0.521 0.000 1.030 413 D CA 0.573 54.413 54.000 -0.267 0.000 0.897 413 D CB 0.261 40.932 40.800 -0.215 0.000 1.058 413 D HN 0.459 nan 8.370 nan 0.000 0.500 414 Y N -0.315 119.924 120.300 -0.102 0.000 2.581 414 Y HA 0.482 5.031 4.550 -0.002 0.000 0.345 414 Y C -0.711 174.991 175.900 -0.330 0.000 1.036 414 Y CA -1.089 56.852 58.100 -0.266 0.000 1.042 414 Y CB 2.457 40.633 38.460 -0.474 0.000 1.289 414 Y HN -0.280 nan 8.280 nan 0.000 0.471 415 L N 2.396 123.476 121.223 -0.239 0.000 2.322 415 L HA 0.609 4.948 4.340 -0.002 0.000 0.281 415 L C -1.788 174.886 176.870 -0.327 0.000 1.014 415 L CA -0.640 54.035 54.840 -0.276 0.000 0.815 415 L CB 0.906 42.733 42.059 -0.387 0.000 1.247 415 L HN 0.604 nan 8.230 nan 0.000 0.421 416 Y N 4.504 124.715 120.300 -0.147 0.000 2.342 416 Y HA 0.537 5.086 4.550 -0.002 0.000 0.334 416 Y C -0.472 175.429 175.900 0.001 0.000 1.067 416 Y CA -0.415 57.607 58.100 -0.130 0.000 1.128 416 Y CB 1.282 39.550 38.460 -0.320 0.000 1.200 416 Y HN 0.508 nan 8.280 nan 0.000 0.464 417 Y N 0.679 121.025 120.300 0.076 0.000 2.588 417 Y HA 0.774 5.323 4.550 -0.002 0.000 0.343 417 Y C -1.701 174.280 175.900 0.134 0.000 1.065 417 Y CA -1.859 56.283 58.100 0.070 0.000 1.038 417 Y CB 1.032 39.516 38.460 0.040 0.000 1.297 417 Y HN 0.289 nan 8.280 nan 0.000 0.467 418 I N 3.191 123.895 120.570 0.222 0.000 2.437 418 I HA 0.613 4.782 4.170 -0.002 0.000 0.298 418 I C 0.078 176.358 176.117 0.271 0.000 0.984 418 I CA -0.273 61.114 61.300 0.143 0.000 1.214 418 I CB 1.423 39.471 38.000 0.081 0.000 1.365 418 I HN 0.894 nan 8.210 nan 0.000 0.469 419 S N 3.901 119.726 115.700 0.208 0.000 2.638 419 S HA 0.427 4.896 4.470 -0.002 0.000 0.274 419 S C -0.416 174.226 174.600 0.070 0.000 1.157 419 S CA -0.952 57.369 58.200 0.202 0.000 0.826 419 S CB 1.769 65.103 63.200 0.222 0.000 1.139 419 S HN 0.712 nan 8.310 nan 0.000 0.474 420 N N -0.537 118.198 118.700 0.058 0.000 2.453 420 N HA 0.155 4.894 4.740 -0.002 0.000 0.270 420 N C 0.756 176.213 175.510 -0.088 0.000 1.195 420 N CA -0.366 52.676 53.050 -0.013 0.000 0.902 420 N CB 0.404 38.880 38.487 -0.019 0.000 1.186 420 N HN 0.777 nan 8.380 nan 0.000 0.510 421 E N 0.770 120.753 120.200 -0.362 0.000 2.051 421 E HA -0.238 4.111 4.350 -0.002 0.000 0.192 421 E C -0.158 176.272 176.600 -0.284 0.000 0.991 421 E CA 0.539 56.471 56.400 -0.780 0.000 0.799 421 E CB -0.086 28.641 29.700 -1.621 0.000 0.748 421 E HN 0.444 nan 8.360 nan 0.000 0.449 422 Y N 2.193 122.388 120.300 -0.174 0.000 2.865 422 Y HA -0.164 4.385 4.550 -0.002 0.000 0.338 422 Y C 0.316 176.173 175.900 -0.071 0.000 1.269 422 Y CA 0.955 59.010 58.100 -0.076 0.000 1.585 422 Y CB -0.090 38.354 38.460 -0.027 0.000 1.224 422 Y HN 0.137 nan 8.280 nan 0.000 0.554 423 K N 3.543 123.650 120.400 -0.488 0.000 3.193 423 K HA -0.254 4.064 4.320 -0.002 0.000 0.294 423 K C 0.926 177.438 176.600 -0.148 0.000 1.185 423 K CA 0.778 56.832 56.287 -0.388 0.000 0.866 423 K CB -1.770 30.420 32.500 -0.516 0.000 1.227 423 K HN 1.279 nan 8.250 nan 0.000 0.467 424 G N 0.632 109.362 108.800 -0.116 0.000 2.187 424 G HA2 -0.342 3.617 3.960 -0.002 0.000 0.261 424 G HA3 -0.342 3.617 3.960 -0.002 0.000 0.261 424 G C 0.093 174.957 174.900 -0.060 0.000 1.000 424 G CA 0.879 45.958 45.100 -0.034 0.000 0.718 424 G HN 0.348 nan 8.290 nan 0.000 0.519 425 M N 0.963 120.464 119.600 -0.165 0.000 2.135 425 M HA 0.210 4.689 4.480 -0.002 0.000 0.345 425 M C -0.975 175.066 176.300 -0.432 0.000 1.340 425 M CA -1.777 53.263 55.300 -0.433 0.000 1.162 425 M CB 1.259 33.697 32.600 -0.271 0.000 1.570 425 M HN -0.072 nan 8.290 nan 0.000 0.454 426 P HA -0.037 nan 4.420 nan 0.000 0.226 426 P C 1.004 178.149 177.300 -0.257 0.000 1.153 426 P CA 1.000 63.899 63.100 -0.335 0.000 0.777 426 P CB 0.128 31.635 31.700 -0.321 0.000 0.794 427 G N -0.602 107.990 108.800 -0.346 0.000 3.284 427 G HA2 0.325 4.284 3.960 -0.002 0.000 0.236 427 G HA3 0.325 4.284 3.960 -0.002 0.000 0.236 427 G C 0.620 175.528 174.900 0.013 0.000 1.158 427 G CA 0.017 45.047 45.100 -0.116 0.000 0.774 427 G HN 0.401 nan 8.290 nan 0.000 0.545 428 G N -0.145 108.607 108.800 -0.080 0.000 2.471 428 G HA2 0.658 4.617 3.960 -0.002 0.000 0.332 428 G HA3 0.658 4.617 3.960 -0.002 0.000 0.332 428 G C -0.824 173.956 174.900 -0.200 0.000 1.176 428 G CA -0.805 44.273 45.100 -0.035 0.000 0.949 428 G HN 0.100 nan 8.290 nan 0.000 0.488 429 R N 1.083 121.413 120.500 -0.283 0.000 2.538 429 R HA 0.427 4.766 4.340 -0.002 0.000 0.292 429 R C -1.350 174.897 176.300 -0.088 0.000 1.008 429 R CA -0.815 55.094 56.100 -0.319 0.000 0.896 429 R CB 2.176 32.032 30.300 -0.740 0.000 1.187 429 R HN 0.568 nan 8.270 nan 0.000 0.440 430 N N 1.789 120.469 118.700 -0.032 0.000 2.329 430 N HA 0.351 5.090 4.740 -0.002 0.000 0.282 430 N C -1.094 174.290 175.510 -0.210 0.000 1.198 430 N CA -0.703 52.265 53.050 -0.136 0.000 0.790 430 N CB 2.739 41.065 38.487 -0.268 0.000 1.579 430 N HN 0.302 nan 8.380 nan 0.000 0.475 431 L N 2.535 123.489 121.223 -0.450 0.000 2.290 431 L HA 0.395 4.734 4.340 -0.002 0.000 0.284 431 L C -1.104 175.374 176.870 -0.654 0.000 1.078 431 L CA -0.150 54.446 54.840 -0.408 0.000 0.815 431 L CB 0.026 41.828 42.059 -0.428 0.000 1.162 431 L HN 0.541 nan 8.230 nan 0.000 0.435 432 Y N 3.542 123.488 120.300 -0.589 0.000 2.598 432 Y HA 0.491 5.040 4.550 -0.002 0.000 0.340 432 Y C -0.250 175.330 175.900 -0.534 0.000 1.038 432 Y CA -0.959 56.762 58.100 -0.632 0.000 1.100 432 Y CB 1.681 39.582 38.460 -0.931 0.000 1.281 432 Y HN 0.416 nan 8.280 nan 0.000 0.488 433 K N 1.312 121.575 120.400 -0.229 0.000 2.422 433 K HA 0.759 5.078 4.320 -0.002 0.000 0.251 433 K C -1.816 174.770 176.600 -0.023 0.000 0.933 433 K CA -0.573 55.516 56.287 -0.330 0.000 0.798 433 K CB 2.034 34.071 32.500 -0.773 0.000 1.238 433 K HN 0.643 nan 8.250 nan 0.000 0.428 434 I N 2.469 123.091 120.570 0.087 0.000 2.354 434 I HA 0.151 4.320 4.170 -0.002 0.000 0.292 434 I C -0.099 176.135 176.117 0.197 0.000 0.989 434 I CA -0.957 60.450 61.300 0.179 0.000 1.188 434 I CB 1.904 39.986 38.000 0.136 0.000 1.342 434 I HN 0.716 nan 8.210 nan 0.000 0.457 435 Q N 5.542 125.452 119.800 0.185 0.000 2.286 435 Q HA 0.154 4.492 4.340 -0.002 0.000 0.267 435 Q C 0.507 176.463 176.000 -0.073 0.000 1.028 435 Q CA -0.112 55.635 55.803 -0.094 0.000 0.901 435 Q CB 0.956 29.666 28.738 -0.046 0.000 1.183 435 Q HN 0.734 nan 8.270 nan 0.000 0.392 436 L N 2.643 123.748 121.223 -0.197 0.000 2.083 436 L HA -0.172 4.167 4.340 -0.002 0.000 0.209 436 L C 2.234 179.021 176.870 -0.138 0.000 1.083 436 L CA 1.497 56.313 54.840 -0.039 0.000 0.752 436 L CB -0.476 41.523 42.059 -0.101 0.000 0.899 436 L HN 0.741 nan 8.230 nan 0.000 0.433 437 S N -2.074 113.498 115.700 -0.214 0.000 2.561 437 S HA -0.073 4.396 4.470 -0.002 0.000 0.225 437 S C 0.416 174.850 174.600 -0.277 0.000 0.977 437 S CA 0.285 58.344 58.200 -0.235 0.000 0.926 437 S CB -0.082 63.011 63.200 -0.180 0.000 0.769 437 S HN 0.428 nan 8.310 nan 0.000 0.533 438 D N -0.449 119.802 120.400 -0.248 0.000 2.354 438 D HA 0.213 4.852 4.640 -0.002 0.000 0.230 438 D C -0.341 175.930 176.300 -0.047 0.000 1.361 438 D CA -0.626 53.249 54.000 -0.208 0.000 0.992 438 D CB 0.054 40.789 40.800 -0.109 0.000 1.409 438 D HN -0.069 nan 8.370 nan 0.000 0.573 439 Y N 1.223 121.502 120.300 -0.036 0.000 2.497 439 Y HA -0.077 4.472 4.550 -0.002 0.000 0.292 439 Y C 2.520 178.426 175.900 0.009 0.000 1.137 439 Y CA 1.564 59.653 58.100 -0.018 0.000 1.285 439 Y CB -0.840 37.608 38.460 -0.021 0.000 0.991 439 Y HN 0.493 nan 8.280 nan 0.000 0.556 440 T N -2.619 112.019 114.554 0.139 0.000 3.160 440 T HA -0.004 4.345 4.350 -0.002 0.000 0.257 440 T C 0.665 175.420 174.700 0.092 0.000 1.147 440 T CA 0.145 62.304 62.100 0.098 0.000 1.064 440 T CB -0.258 68.642 68.868 0.054 0.000 0.949 440 T HN 0.095 nan 8.240 nan 0.000 0.526 441 K N 2.008 122.469 120.400 0.102 0.000 2.290 441 K HA 0.478 4.797 4.320 -0.002 0.000 0.250 441 K C -1.259 175.423 176.600 0.136 0.000 1.092 441 K CA -0.391 55.957 56.287 0.102 0.000 1.006 441 K CB 1.218 33.770 32.500 0.086 0.000 1.549 441 K HN 0.129 nan 8.250 nan 0.000 0.436 442 V N 2.384 122.378 119.914 0.133 0.000 2.370 442 V HA 0.236 4.355 4.120 -0.002 0.000 0.283 442 V C 0.050 176.218 176.094 0.124 0.000 1.023 442 V CA -0.668 61.727 62.300 0.159 0.000 0.857 442 V CB 1.676 33.615 31.823 0.195 0.000 0.985 442 V HN 0.550 nan 8.190 nan 0.000 0.443 443 T N 3.772 118.371 114.554 0.074 0.000 2.779 443 T HA 0.231 4.580 4.350 -0.002 0.000 0.280 443 T C -0.236 174.406 174.700 -0.095 0.000 0.987 443 T CA -0.234 61.859 62.100 -0.011 0.000 0.966 443 T CB 1.111 69.935 68.868 -0.073 0.000 0.933 443 T HN 0.790 nan 8.240 nan 0.000 0.442 444 C N 5.266 124.453 119.300 -0.189 0.000 2.499 444 C HA 0.393 4.852 4.460 -0.002 0.000 0.386 444 C C 1.606 176.295 174.990 -0.501 0.000 1.293 444 C CA -0.515 58.133 59.018 -0.617 0.000 1.884 444 C CB -1.702 25.615 27.740 -0.705 0.000 2.509 444 C HN 0.986 nan 8.230 nan 0.000 0.566 445 L N 4.682 125.562 121.223 -0.572 0.000 2.554 445 L HA 0.107 4.446 4.340 -0.002 0.000 0.225 445 L C 2.042 178.620 176.870 -0.485 0.000 1.104 445 L CA 0.785 55.377 54.840 -0.414 0.000 0.866 445 L CB -0.153 41.694 42.059 -0.353 0.000 1.047 445 L HN 0.903 nan 8.230 nan 0.000 0.468 446 S N -3.395 111.909 115.700 -0.660 0.000 2.631 446 S HA -0.022 4.447 4.470 -0.002 0.000 0.246 446 S C 1.789 176.030 174.600 -0.599 0.000 1.068 446 S CA -0.068 57.646 58.200 -0.810 0.000 0.995 446 S CB -0.284 62.082 63.200 -1.390 0.000 0.944 446 S HN 0.271 nan 8.310 nan 0.000 0.529 447 C N 2.607 121.523 119.300 -0.641 0.000 2.391 447 C HA -0.031 4.428 4.460 -0.002 0.000 0.276 447 C C 2.195 176.901 174.990 -0.472 0.000 1.217 447 C CA 1.214 59.774 59.018 -0.763 0.000 1.766 447 C CB -0.865 26.249 27.740 -1.044 0.000 2.046 447 C HN 0.601 nan 8.230 nan 0.000 0.475 448 E N -0.087 119.931 120.200 -0.305 0.000 2.538 448 E HA 0.209 4.557 4.350 -0.002 0.000 0.207 448 E C 1.801 178.351 176.600 -0.084 0.000 1.002 448 E CA -0.079 56.232 56.400 -0.149 0.000 0.952 448 E CB -0.157 29.476 29.700 -0.111 0.000 1.031 448 E HN 0.639 nan 8.360 nan 0.000 0.476 449 L N 0.556 121.726 121.223 -0.087 0.000 2.042 449 L HA -0.089 4.250 4.340 -0.002 0.000 0.210 449 L C 1.002 177.879 176.870 0.012 0.000 1.076 449 L CA 1.032 55.858 54.840 -0.024 0.000 0.749 449 L CB -0.069 41.990 42.059 0.001 0.000 0.893 449 L HN 0.040 nan 8.230 nan 0.000 0.432 450 N N -1.490 117.228 118.700 0.029 0.000 3.111 450 N HA 0.073 4.812 4.740 -0.002 0.000 0.200 450 N C -2.235 173.290 175.510 0.026 0.000 1.464 450 N CA -0.868 52.195 53.050 0.021 0.000 0.758 450 N CB 0.776 39.272 38.487 0.015 0.000 1.548 450 N HN -0.201 nan 8.380 nan 0.000 0.595 451 P HA -0.036 nan 4.420 nan 0.000 0.225 451 P C 0.227 177.564 177.300 0.062 0.000 1.148 451 P CA 1.160 64.297 63.100 0.062 0.000 0.779 451 P CB 0.674 32.427 31.700 0.087 0.000 0.780 452 E N -0.605 119.614 120.200 0.031 0.000 2.307 452 E HA 0.040 4.389 4.350 -0.002 0.000 0.195 452 E C 2.210 178.807 176.600 -0.004 0.000 0.975 452 E CA 0.426 56.838 56.400 0.020 0.000 0.878 452 E CB -0.465 29.242 29.700 0.011 0.000 0.845 452 E HN 0.179 nan 8.360 nan 0.000 0.488 453 R N -0.507 119.979 120.500 -0.023 0.000 2.156 453 R HA 0.193 4.532 4.340 -0.002 0.000 0.207 453 R C -0.314 175.931 176.300 -0.090 0.000 1.040 453 R CA 0.605 56.668 56.100 -0.061 0.000 1.013 453 R CB 0.314 30.571 30.300 -0.073 0.000 0.931 453 R HN 0.099 nan 8.270 nan 0.000 0.465 454 c N 0.904 119.456 118.600 -0.080 0.000 2.344 454 c HA 0.409 4.978 4.570 -0.002 0.000 0.326 454 c C -0.191 173.835 174.090 -0.106 0.000 1.201 454 c CA -0.635 55.580 56.329 -0.189 0.000 1.410 454 c CB 1.404 43.773 42.510 -0.234 0.000 2.070 454 c HN 0.540 nan 8.230 nan 0.000 0.445 455 Q N 0.716 120.455 119.800 -0.101 0.000 2.064 455 Q HA 0.209 4.548 4.340 -0.002 0.000 0.213 455 Q C -1.057 174.980 176.000 0.062 0.000 0.779 455 Q CA 0.052 55.878 55.803 0.039 0.000 1.032 455 Q CB 1.330 30.126 28.738 0.097 0.000 1.203 455 Q HN 0.786 nan 8.270 nan 0.000 0.457 456 Y N 0.350 120.506 120.300 -0.240 0.000 2.400 456 Y HA 0.346 4.895 4.550 -0.002 0.000 0.335 456 Y C -1.741 173.993 175.900 -0.275 0.000 1.066 456 Y CA -0.976 57.023 58.100 -0.168 0.000 1.285 456 Y CB 0.706 39.088 38.460 -0.131 0.000 1.103 456 Y HN -0.055 nan 8.280 nan 0.000 0.490 457 Y N 2.395 122.639 120.300 -0.095 0.000 2.420 457 Y HA 0.630 5.179 4.550 -0.002 0.000 0.334 457 Y C 0.489 176.340 175.900 -0.081 0.000 1.094 457 Y CA -0.483 57.569 58.100 -0.080 0.000 1.126 457 Y CB 2.064 40.440 38.460 -0.141 0.000 1.217 457 Y HN 0.525 nan 8.280 nan 0.000 0.462 458 S N 1.064 116.854 115.700 0.151 0.000 2.726 458 S HA 0.876 5.345 4.470 -0.002 0.000 0.308 458 S C -1.274 173.394 174.600 0.114 0.000 1.115 458 S CA -0.760 57.511 58.200 0.118 0.000 0.965 458 S CB 1.894 65.176 63.200 0.136 0.000 1.145 458 S HN 0.581 nan 8.310 nan 0.000 0.532 459 V N -0.016 119.962 119.914 0.108 0.000 3.114 459 V HA 0.853 4.972 4.120 -0.002 0.000 0.308 459 V C -1.290 174.886 176.094 0.136 0.000 1.168 459 V CA -0.306 62.032 62.300 0.063 0.000 1.015 459 V CB 2.307 34.102 31.823 -0.047 0.000 1.050 459 V HN 1.184 nan 8.190 nan 0.000 0.433 460 S N 4.272 120.043 115.700 0.119 0.000 2.779 460 S HA 0.650 5.119 4.470 -0.002 0.000 0.293 460 S C -1.261 173.498 174.600 0.264 0.000 1.150 460 S CA -0.386 57.979 58.200 0.276 0.000 1.057 460 S CB 0.477 63.885 63.200 0.347 0.000 1.021 460 S HN 0.506 nan 8.310 nan 0.000 0.485 461 F N 3.371 123.404 119.950 0.139 0.000 2.384 461 F HA 0.432 4.958 4.527 -0.002 0.000 0.338 461 F C 1.407 176.891 175.800 -0.526 0.000 1.103 461 F CA -0.149 57.781 58.000 -0.117 0.000 1.157 461 F CB 1.499 40.404 39.000 -0.159 0.000 1.167 461 F HN 0.659 nan 8.300 nan 0.000 0.529 462 S N 1.913 117.023 115.700 -0.983 0.000 2.617 462 S HA 0.273 4.742 4.470 -0.002 0.000 0.259 462 S C -0.241 174.149 174.600 -0.351 0.000 1.301 462 S CA -1.036 56.349 58.200 -1.359 0.000 0.984 462 S CB 0.520 62.798 63.200 -1.537 0.000 0.954 462 S HN 0.457 nan 8.310 nan 0.000 0.572 463 K N 1.256 121.580 120.400 -0.127 0.000 2.466 463 K HA 0.071 4.390 4.320 -0.002 0.000 0.278 463 K C 0.772 177.378 176.600 0.010 0.000 1.048 463 K CA 1.233 57.533 56.287 0.022 0.000 1.088 463 K CB -0.479 32.081 32.500 0.100 0.000 0.884 463 K HN 0.872 nan 8.250 nan 0.000 0.478 464 E N 2.733 122.947 120.200 0.024 0.000 3.801 464 E HA -0.344 4.005 4.350 -0.002 0.000 0.319 464 E C -0.294 176.298 176.600 -0.012 0.000 0.784 464 E CA 0.635 57.049 56.400 0.023 0.000 1.183 464 E CB -1.010 28.715 29.700 0.042 0.000 1.601 464 E HN 0.851 nan 8.360 nan 0.000 0.441 465 A N -0.907 121.892 122.820 -0.035 0.000 2.905 465 A HA -0.322 3.997 4.320 -0.002 0.000 0.260 465 A C 1.177 178.746 177.584 -0.026 0.000 1.398 465 A CA 1.696 53.730 52.037 -0.004 0.000 0.840 465 A CB -1.313 17.574 19.000 -0.189 0.000 1.059 465 A HN 0.264 nan 8.150 nan 0.000 0.647 466 K N -1.585 118.740 120.400 -0.125 0.000 2.148 466 K HA 0.062 4.381 4.320 -0.002 0.000 0.204 466 K C 0.275 176.434 176.600 -0.735 0.000 1.050 466 K CA 1.526 57.593 56.287 -0.367 0.000 0.942 466 K CB -0.182 32.126 32.500 -0.321 0.000 0.724 466 K HN 0.773 nan 8.250 nan 0.000 0.446 467 Y N -0.983 119.252 120.300 -0.107 0.000 2.581 467 Y HA 0.350 4.899 4.550 -0.002 0.000 0.345 467 Y C -0.489 175.322 175.900 -0.148 0.000 1.036 467 Y CA -1.775 56.257 58.100 -0.114 0.000 1.042 467 Y CB 1.652 40.075 38.460 -0.062 0.000 1.289 467 Y HN -0.019 nan 8.280 nan 0.000 0.471 468 Y N -1.089 119.156 120.300 -0.092 0.000 2.534 468 Y HA 0.541 5.090 4.550 -0.002 0.000 0.345 468 Y C -1.140 174.764 175.900 0.007 0.000 1.031 468 Y CA -1.531 56.365 58.100 -0.339 0.000 1.022 468 Y CB 1.550 39.276 38.460 -1.224 0.000 1.292 468 Y HN 0.590 nan 8.280 nan 0.000 0.459 469 Q N 3.846 123.770 119.800 0.207 0.000 2.303 469 Q HA 0.491 4.830 4.340 -0.002 0.000 0.257 469 Q C -1.628 174.439 176.000 0.111 0.000 0.941 469 Q CA -0.585 55.299 55.803 0.134 0.000 0.931 469 Q CB 1.118 29.913 28.738 0.094 0.000 1.215 469 Q HN 0.966 nan 8.270 nan 0.000 0.437 470 L N 4.060 125.344 121.223 0.102 0.000 2.350 470 L HA 0.493 4.832 4.340 -0.002 0.000 0.275 470 L C 0.106 177.033 176.870 0.095 0.000 1.099 470 L CA -0.352 54.540 54.840 0.086 0.000 0.808 470 L CB 1.153 43.208 42.059 -0.006 0.000 1.149 470 L HN 0.577 nan 8.230 nan 0.000 0.442 471 R N 3.317 123.870 120.500 0.088 0.000 2.473 471 R HA 0.346 4.685 4.340 -0.002 0.000 0.303 471 R C -1.260 174.937 176.300 -0.172 0.000 1.002 471 R CA -0.500 55.501 56.100 -0.165 0.000 0.884 471 R CB 1.436 31.693 30.300 -0.071 0.000 1.173 471 R HN 0.766 nan 8.270 nan 0.000 0.464 472 c N 3.061 121.426 118.600 -0.391 0.000 2.341 472 c HA 0.568 5.137 4.570 -0.002 0.000 0.338 472 c C 0.690 174.554 174.090 -0.377 0.000 1.257 472 c CA -0.284 55.691 56.329 -0.590 0.000 1.883 472 c CB 1.381 43.391 42.510 -0.835 0.000 2.334 472 c HN 0.913 nan 8.230 nan 0.000 0.524 473 S N 2.821 118.383 115.700 -0.229 0.000 2.603 473 S HA 0.580 5.049 4.470 -0.002 0.000 0.232 473 S C 0.481 175.019 174.600 -0.104 0.000 1.016 473 S CA 0.347 58.466 58.200 -0.136 0.000 0.976 473 S CB 0.425 63.569 63.200 -0.094 0.000 0.921 473 S HN 1.540 nan 8.310 nan 0.000 0.516 474 G N 1.805 110.529 108.800 -0.127 0.000 2.313 474 G HA2 0.301 4.260 3.960 -0.002 0.000 0.296 474 G HA3 0.301 4.260 3.960 -0.002 0.000 0.296 474 G C -2.990 171.869 174.900 -0.067 0.000 1.356 474 G CA -0.663 44.400 45.100 -0.061 0.000 0.833 474 G HN -0.188 nan 8.290 nan 0.000 0.552 475 P HA 0.116 nan 4.420 nan 0.000 0.225 475 P C 1.362 178.676 177.300 0.023 0.000 1.156 475 P CA 1.454 64.566 63.100 0.020 0.000 0.787 475 P CB 0.251 31.964 31.700 0.022 0.000 0.802 476 G N 0.306 109.059 108.800 -0.079 0.000 2.535 476 G HA2 0.373 4.332 3.960 -0.002 0.000 0.282 476 G HA3 0.373 4.332 3.960 -0.002 0.000 0.282 476 G C -0.228 174.441 174.900 -0.386 0.000 1.350 476 G CA -0.719 44.262 45.100 -0.198 0.000 1.039 476 G HN 0.045 nan 8.290 nan 0.000 0.509 477 L N 1.140 122.051 121.223 -0.520 0.000 2.483 477 L HA 0.146 4.485 4.340 -0.002 0.000 0.276 477 L C -1.813 174.883 176.870 -0.290 0.000 1.213 477 L CA -1.223 53.273 54.840 -0.573 0.000 0.843 477 L CB 0.633 42.436 42.059 -0.428 0.000 1.107 477 L HN 0.245 nan 8.230 nan 0.000 0.487 478 P HA 0.096 nan 4.420 nan 0.000 0.266 478 P C -0.899 176.313 177.300 -0.147 0.000 1.195 478 P CA 0.095 63.098 63.100 -0.162 0.000 0.768 478 P CB 0.592 32.275 31.700 -0.029 0.000 0.838 479 L N 3.909 124.953 121.223 -0.299 0.000 2.439 479 L HA 0.437 4.776 4.340 -0.002 0.000 0.270 479 L C -1.412 175.273 176.870 -0.308 0.000 0.972 479 L CA -0.810 53.924 54.840 -0.177 0.000 0.836 479 L CB 1.126 43.109 42.059 -0.127 0.000 1.255 479 L HN 0.351 nan 8.230 nan 0.000 0.404 480 Y N 2.087 122.350 120.300 -0.061 0.000 2.335 480 Y HA 0.597 5.145 4.550 -0.002 0.000 0.338 480 Y C 0.540 176.350 175.900 -0.151 0.000 0.977 480 Y CA -0.560 57.485 58.100 -0.092 0.000 1.114 480 Y CB 2.210 40.586 38.460 -0.141 0.000 1.182 480 Y HN 0.515 nan 8.280 nan 0.000 0.463 481 T N 1.464 116.037 114.554 0.031 0.000 2.903 481 T HA 0.660 5.009 4.350 -0.002 0.000 0.299 481 T C -1.323 173.371 174.700 -0.010 0.000 1.093 481 T CA -0.906 61.183 62.100 -0.019 0.000 1.002 481 T CB 1.640 70.578 68.868 0.117 0.000 1.127 481 T HN 0.575 nan 8.240 nan 0.000 0.488 482 L N 1.668 122.787 121.223 -0.174 0.000 2.334 482 L HA 0.681 5.020 4.340 -0.002 0.000 0.276 482 L C -1.051 175.597 176.870 -0.371 0.000 1.014 482 L CA -0.770 53.991 54.840 -0.131 0.000 0.815 482 L CB 1.558 43.543 42.059 -0.124 0.000 1.268 482 L HN 0.896 nan 8.230 nan 0.000 0.428 483 H N 0.302 119.149 119.070 -0.373 0.000 2.980 483 H HA 0.432 4.987 4.556 -0.002 0.000 0.367 483 H C -0.667 174.440 175.328 -0.368 0.000 1.206 483 H CA -0.616 55.099 56.048 -0.555 0.000 1.126 483 H CB 2.080 31.091 29.762 -1.251 0.000 1.838 483 H HN 0.476 nan 8.280 nan 0.000 0.552 484 S N -0.056 115.585 115.700 -0.100 0.000 2.501 484 S HA 0.318 4.787 4.470 -0.002 0.000 0.301 484 S C 0.335 174.892 174.600 -0.071 0.000 1.096 484 S CA -0.647 57.505 58.200 -0.081 0.000 1.063 484 S CB 1.814 65.022 63.200 0.015 0.000 1.042 484 S HN 0.522 nan 8.310 nan 0.000 0.494 485 S N 1.925 117.567 115.700 -0.096 0.000 2.453 485 S HA -0.049 4.420 4.470 -0.002 0.000 0.231 485 S C 1.865 176.485 174.600 0.034 0.000 1.005 485 S CA 0.752 59.001 58.200 0.081 0.000 0.949 485 S CB -0.462 62.770 63.200 0.053 0.000 0.774 485 S HN 0.616 nan 8.310 nan 0.000 0.510 486 V N 2.279 122.168 119.914 -0.043 0.000 2.252 486 V HA -0.219 3.900 4.120 -0.002 0.000 0.249 486 V C 1.016 177.122 176.094 0.019 0.000 1.056 486 V CA 1.941 64.236 62.300 -0.008 0.000 1.022 486 V CB -0.597 31.209 31.823 -0.028 0.000 0.641 486 V HN 0.500 nan 8.190 nan 0.000 0.445 487 N N -1.482 117.226 118.700 0.013 0.000 2.299 487 N HA 0.161 4.900 4.740 -0.002 0.000 0.246 487 N C -0.565 174.959 175.510 0.024 0.000 1.254 487 N CA -0.037 53.022 53.050 0.016 0.000 0.879 487 N CB 0.622 39.116 38.487 0.013 0.000 1.214 487 N HN 0.246 nan 8.380 nan 0.000 0.510 488 D N 0.836 121.269 120.400 0.055 0.000 2.751 488 D HA -0.215 4.424 4.640 -0.002 0.000 0.233 488 D C 0.034 176.379 176.300 0.075 0.000 1.149 488 D CA 1.110 55.175 54.000 0.109 0.000 0.682 488 D CB -0.629 40.222 40.800 0.085 0.000 1.068 488 D HN 0.441 nan 8.370 nan 0.000 0.429 489 K N 0.488 120.903 120.400 0.025 0.000 2.270 489 K HA 0.373 4.692 4.320 -0.002 0.000 0.276 489 K C 0.711 177.266 176.600 -0.075 0.000 1.023 489 K CA -0.028 56.252 56.287 -0.012 0.000 0.955 489 K CB 0.795 33.279 32.500 -0.026 0.000 0.975 489 K HN 0.072 nan 8.250 nan 0.000 0.471 490 G N 4.256 112.978 108.800 -0.131 0.000 2.358 490 G HA2 0.183 4.142 3.960 -0.002 0.000 0.273 490 G HA3 0.183 4.142 3.960 -0.002 0.000 0.273 490 G C 0.512 175.226 174.900 -0.310 0.000 1.215 490 G CA -0.483 44.371 45.100 -0.409 0.000 0.910 490 G HN 0.702 nan 8.290 nan 0.000 0.467 491 L N 1.936 122.936 121.223 -0.372 0.000 2.130 491 L HA 0.322 4.661 4.340 -0.002 0.000 0.200 491 L C 1.562 178.327 176.870 -0.175 0.000 1.075 491 L CA 0.765 55.484 54.840 -0.201 0.000 0.768 491 L CB -0.113 41.856 42.059 -0.149 0.000 0.933 491 L HN 0.750 nan 8.230 nan 0.000 0.451 492 R N -1.728 118.637 120.500 -0.224 0.000 2.753 492 R HA 0.371 4.710 4.340 -0.002 0.000 0.272 492 R C -1.695 174.489 176.300 -0.193 0.000 1.034 492 R CA -0.843 55.159 56.100 -0.164 0.000 0.869 492 R CB 1.236 31.471 30.300 -0.109 0.000 1.264 492 R HN -0.260 nan 8.270 nan 0.000 0.481 493 V N 3.302 123.125 119.914 -0.151 0.000 2.583 493 V HA 0.170 4.289 4.120 -0.002 0.000 0.287 493 V C 1.197 177.160 176.094 -0.219 0.000 1.051 493 V CA -0.256 61.954 62.300 -0.151 0.000 1.010 493 V CB 1.215 32.983 31.823 -0.093 0.000 0.988 493 V HN 0.674 nan 8.190 nan 0.000 0.478 494 L N 2.187 123.216 121.223 -0.323 0.000 2.362 494 L HA 0.374 4.713 4.340 -0.002 0.000 0.204 494 L C 0.598 177.213 176.870 -0.425 0.000 1.060 494 L CA 0.506 54.954 54.840 -0.653 0.000 0.827 494 L CB 0.313 41.604 42.059 -1.280 0.000 1.027 494 L HN 0.687 nan 8.230 nan 0.000 0.474 495 E N -0.055 120.042 120.200 -0.173 0.000 2.311 495 E HA 0.112 4.461 4.350 -0.002 0.000 0.281 495 E C -1.247 175.411 176.600 0.096 0.000 0.905 495 E CA -0.340 56.064 56.400 0.006 0.000 0.778 495 E CB 1.272 30.995 29.700 0.039 0.000 1.240 495 E HN 0.161 nan 8.360 nan 0.000 0.410 496 D N 3.068 123.499 120.400 0.052 0.000 2.469 496 D HA 0.138 4.777 4.640 -0.002 0.000 0.215 496 D C -0.298 176.018 176.300 0.026 0.000 1.154 496 D CA -0.254 53.765 54.000 0.032 0.000 0.832 496 D CB -0.027 40.771 40.800 -0.003 0.000 1.008 496 D HN 0.438 nan 8.370 nan 0.000 0.506 497 N N 0.508 119.240 118.700 0.054 0.000 2.725 497 N HA -0.210 4.529 4.740 -0.002 0.000 0.249 497 N C 1.032 176.552 175.510 0.016 0.000 1.103 497 N CA 0.939 54.015 53.050 0.044 0.000 0.707 497 N CB -1.462 37.041 38.487 0.028 0.000 1.043 497 N HN 0.487 nan 8.380 nan 0.000 0.553 498 S N -1.156 114.555 115.700 0.018 0.000 2.382 498 S HA -0.042 4.427 4.470 -0.002 0.000 0.228 498 S C 2.111 176.727 174.600 0.027 0.000 1.027 498 S CA 1.023 59.230 58.200 0.011 0.000 0.991 498 S CB -0.207 63.000 63.200 0.012 0.000 0.823 498 S HN 0.499 nan 8.310 nan 0.000 0.469 499 A N 1.959 124.804 122.820 0.042 0.000 1.908 499 A HA 0.080 4.399 4.320 -0.002 0.000 0.218 499 A C 2.279 179.909 177.584 0.076 0.000 1.181 499 A CA 1.453 53.524 52.037 0.056 0.000 0.627 499 A CB -0.846 18.189 19.000 0.060 0.000 0.818 499 A HN 0.546 nan 8.150 nan 0.000 0.445 500 L N -0.702 120.568 121.223 0.078 0.000 2.109 500 L HA -0.155 4.184 4.340 -0.002 0.000 0.207 500 L C 2.255 179.165 176.870 0.067 0.000 1.086 500 L CA 2.172 57.076 54.840 0.107 0.000 0.760 500 L CB -0.431 41.686 42.059 0.096 0.000 0.910 500 L HN 0.454 nan 8.230 nan 0.000 0.437 501 D N 0.563 120.974 120.400 0.018 0.000 2.104 501 D HA -0.264 4.375 4.640 -0.002 0.000 0.194 501 D C 2.154 178.461 176.300 0.011 0.000 0.994 501 D CA 1.918 55.909 54.000 -0.015 0.000 0.830 501 D CB 0.090 40.872 40.800 -0.031 0.000 0.959 501 D HN 0.451 nan 8.370 nan 0.000 0.452 502 K N -0.403 120.017 120.400 0.034 0.000 2.155 502 K HA -0.063 4.256 4.320 -0.002 0.000 0.203 502 K C 2.306 178.947 176.600 0.069 0.000 1.052 502 K CA 0.876 57.188 56.287 0.043 0.000 0.948 502 K CB -0.319 32.207 32.500 0.044 0.000 0.728 502 K HN 0.185 nan 8.250 nan 0.000 0.448 503 M N 1.092 120.757 119.600 0.110 0.000 2.132 503 M HA -0.053 4.426 4.480 -0.002 0.000 0.263 503 M C 2.058 178.428 176.300 0.117 0.000 1.065 503 M CA 1.495 56.906 55.300 0.186 0.000 1.122 503 M CB -0.214 32.590 32.600 0.341 0.000 1.365 503 M HN 0.135 nan 8.290 nan 0.000 0.411 504 L N -0.474 120.764 121.223 0.025 0.000 2.395 504 L HA -0.130 4.209 4.340 -0.002 0.000 0.218 504 L C 2.224 179.073 176.870 -0.035 0.000 1.130 504 L CA 0.634 55.426 54.840 -0.080 0.000 0.826 504 L CB -0.530 41.483 42.059 -0.076 0.000 0.941 504 L HN 0.393 nan 8.230 nan 0.000 0.451 505 Q N -0.145 119.656 119.800 0.001 0.000 2.291 505 Q HA -0.180 4.159 4.340 -0.002 0.000 0.206 505 Q C 1.349 177.362 176.000 0.023 0.000 0.976 505 Q CA 0.994 56.802 55.803 0.008 0.000 0.875 505 Q CB -0.179 28.569 28.738 0.015 0.000 0.927 505 Q HN 0.358 nan 8.270 nan 0.000 0.450 506 N N 0.075 118.798 118.700 0.039 0.000 2.336 506 N HA 0.027 4.766 4.740 -0.002 0.000 0.189 506 N C -0.891 174.653 175.510 0.057 0.000 1.113 506 N CA 0.059 53.144 53.050 0.059 0.000 0.858 506 N CB 0.689 39.231 38.487 0.091 0.000 0.970 506 N HN -0.121 nan 8.380 nan 0.000 0.471 507 V N 0.930 120.854 119.914 0.018 0.000 2.769 507 V HA 0.324 4.443 4.120 -0.002 0.000 0.312 507 V C -0.178 175.913 176.094 -0.005 0.000 1.061 507 V CA -0.919 61.386 62.300 0.008 0.000 0.931 507 V CB 2.116 33.895 31.823 -0.074 0.000 1.010 507 V HN 0.033 nan 8.190 nan 0.000 0.433 508 Q N 3.885 123.692 119.800 0.011 0.000 2.452 508 Q HA 0.361 4.700 4.340 -0.002 0.000 0.230 508 Q C -0.586 175.379 176.000 -0.059 0.000 1.180 508 Q CA -0.136 55.645 55.803 -0.036 0.000 0.914 508 Q CB 0.502 29.235 28.738 -0.008 0.000 1.408 508 Q HN 0.503 nan 8.270 nan 0.000 0.520 509 M N 3.638 123.187 119.600 -0.085 0.000 2.314 509 M HA 0.408 4.887 4.480 -0.002 0.000 0.342 509 M C -2.083 174.144 176.300 -0.123 0.000 1.171 509 M CA -2.515 52.728 55.300 -0.095 0.000 1.098 509 M CB 0.406 32.959 32.600 -0.079 0.000 1.559 509 M HN 0.284 nan 8.290 nan 0.000 0.459 510 P HA 0.184 nan 4.420 nan 0.000 0.274 510 P C -0.640 176.576 177.300 -0.141 0.000 1.237 510 P CA -0.299 62.709 63.100 -0.155 0.000 0.793 510 P CB 0.462 32.057 31.700 -0.175 0.000 0.977 511 S N 0.183 115.788 115.700 -0.157 0.000 2.722 511 S HA 0.549 5.018 4.470 -0.002 0.000 0.292 511 S C -0.367 174.137 174.600 -0.159 0.000 1.135 511 S CA -0.751 57.369 58.200 -0.134 0.000 1.003 511 S CB 1.391 64.511 63.200 -0.133 0.000 1.067 511 S HN 0.491 nan 8.310 nan 0.000 0.546 512 K N 0.663 120.992 120.400 -0.119 0.000 2.413 512 K HA 0.348 4.667 4.320 -0.002 0.000 0.257 512 K C -1.144 175.392 176.600 -0.107 0.000 0.946 512 K CA -0.571 55.647 56.287 -0.115 0.000 0.823 512 K CB 0.978 33.433 32.500 -0.075 0.000 1.109 512 K HN 0.490 nan 8.250 nan 0.000 0.427 513 K N 5.336 125.654 120.400 -0.137 0.000 2.211 513 K HA 0.312 4.631 4.320 -0.002 0.000 0.275 513 K C -1.287 175.245 176.600 -0.114 0.000 1.024 513 K CA -0.524 55.686 56.287 -0.129 0.000 0.887 513 K CB 0.966 33.362 32.500 -0.173 0.000 1.084 513 K HN 0.691 nan 8.250 nan 0.000 0.463 514 L N 4.410 125.584 121.223 -0.080 0.000 2.343 514 L HA 0.393 4.731 4.340 -0.002 0.000 0.278 514 L C -0.938 175.911 176.870 -0.034 0.000 0.996 514 L CA -0.151 54.671 54.840 -0.029 0.000 0.831 514 L CB 1.217 43.333 42.059 0.095 0.000 1.232 514 L HN 0.711 nan 8.230 nan 0.000 0.413 515 D N 3.111 123.327 120.400 -0.306 0.000 2.838 515 D HA 0.481 5.120 4.640 -0.002 0.000 0.334 515 D C -1.619 174.355 176.300 -0.543 0.000 1.315 515 D CA 0.002 53.744 54.000 -0.429 0.000 0.917 515 D CB 2.257 42.774 40.800 -0.472 0.000 1.435 515 D HN 0.225 nan 8.370 nan 0.000 0.517 516 F N 0.095 119.758 119.950 -0.478 0.000 2.599 516 F HA 0.671 5.197 4.527 -0.002 0.000 0.311 516 F C -0.607 175.269 175.800 0.127 0.000 1.076 516 F CA -1.129 56.681 58.000 -0.318 0.000 0.937 516 F CB 0.895 39.258 39.000 -1.061 0.000 1.282 516 F HN 0.243 nan 8.300 nan 0.000 0.460 517 I N 0.743 121.594 120.570 0.470 0.000 2.648 517 I HA 0.658 4.827 4.170 -0.002 0.000 0.304 517 I C -1.087 175.266 176.117 0.394 0.000 1.009 517 I CA -1.112 60.392 61.300 0.339 0.000 1.114 517 I CB 2.245 40.401 38.000 0.260 0.000 1.293 517 I HN 0.635 nan 8.210 nan 0.000 0.449 518 I N 4.674 125.416 120.570 0.287 0.000 2.321 518 I HA 0.257 4.426 4.170 -0.002 0.000 0.291 518 I C 0.534 176.786 176.117 0.225 0.000 0.998 518 I CA -0.448 60.997 61.300 0.242 0.000 1.227 518 I CB 1.968 40.072 38.000 0.174 0.000 1.368 518 I HN 0.689 nan 8.210 nan 0.000 0.466 519 L N 4.793 126.202 121.223 0.309 0.000 2.265 519 L HA 0.085 4.424 4.340 -0.002 0.000 0.195 519 L C 1.402 178.371 176.870 0.165 0.000 1.083 519 L CA 0.843 55.835 54.840 0.253 0.000 0.798 519 L CB -0.179 42.093 42.059 0.355 0.000 0.989 519 L HN 0.600 nan 8.230 nan 0.000 0.472 520 N N -0.080 118.729 118.700 0.182 0.000 2.269 520 N HA 0.018 4.757 4.740 -0.002 0.000 0.236 520 N C 0.649 176.201 175.510 0.070 0.000 1.101 520 N CA 0.557 53.667 53.050 0.100 0.000 1.155 520 N CB 0.176 38.716 38.487 0.088 0.000 1.526 520 N HN 0.044 nan 8.380 nan 0.000 0.582 521 E N -0.520 119.709 120.200 0.048 0.000 2.569 521 E HA 0.272 4.621 4.350 -0.002 0.000 0.205 521 E C -0.813 175.776 176.600 -0.017 0.000 1.006 521 E CA -0.011 56.400 56.400 0.019 0.000 0.985 521 E CB 0.759 30.464 29.700 0.008 0.000 1.060 521 E HN 0.181 nan 8.360 nan 0.000 0.460 522 T N 1.069 115.610 114.554 -0.023 0.000 2.797 522 T HA 0.286 4.635 4.350 -0.002 0.000 0.279 522 T C -0.172 174.342 174.700 -0.310 0.000 0.991 522 T CA -0.716 61.261 62.100 -0.205 0.000 0.979 522 T CB 1.621 70.302 68.868 -0.312 0.000 0.943 522 T HN -0.088 nan 8.240 nan 0.000 0.444 523 K N 2.330 122.496 120.400 -0.390 0.000 2.276 523 K HA 0.442 4.761 4.320 -0.002 0.000 0.283 523 K C -1.083 175.217 176.600 -0.499 0.000 1.044 523 K CA -0.190 55.893 56.287 -0.340 0.000 0.944 523 K CB 0.586 32.796 32.500 -0.483 0.000 1.012 523 K HN 0.415 nan 8.250 nan 0.000 0.472 524 F N 1.719 121.740 119.950 0.118 0.000 2.529 524 F HA 0.310 4.836 4.527 -0.002 0.000 0.320 524 F C -0.528 175.377 175.800 0.175 0.000 1.118 524 F CA -0.797 57.288 58.000 0.141 0.000 0.915 524 F CB 1.008 40.100 39.000 0.153 0.000 1.161 524 F HN 0.438 nan 8.300 nan 0.000 0.445 525 W N 3.713 125.163 121.300 0.249 0.000 2.381 525 W HA 0.542 5.201 4.660 -0.002 0.000 0.329 525 W C -0.677 176.036 176.519 0.324 0.000 1.157 525 W CA -0.550 56.963 57.345 0.280 0.000 1.240 525 W CB 0.834 30.389 29.460 0.159 0.000 1.199 525 W HN 0.441 nan 8.180 nan 0.000 0.579 526 Y N -0.246 120.366 120.300 0.520 0.000 2.588 526 Y HA 0.635 5.184 4.550 -0.002 0.000 0.343 526 Y C -0.957 175.163 175.900 0.367 0.000 1.065 526 Y CA -1.885 56.515 58.100 0.499 0.000 1.038 526 Y CB 1.073 39.975 38.460 0.737 0.000 1.297 526 Y HN 0.567 nan 8.280 nan 0.000 0.467 527 Q N 2.494 122.498 119.800 0.340 0.000 2.413 527 Q HA 0.750 5.089 4.340 -0.002 0.000 0.276 527 Q C -1.653 174.464 176.000 0.195 0.000 1.099 527 Q CA -1.157 54.729 55.803 0.139 0.000 0.814 527 Q CB 3.220 32.022 28.738 0.106 0.000 1.379 527 Q HN 0.857 nan 8.270 nan 0.000 0.436 528 M N 2.486 122.118 119.600 0.054 0.000 2.259 528 M HA 0.416 4.895 4.480 -0.002 0.000 0.304 528 M C -1.169 175.060 176.300 -0.119 0.000 1.019 528 M CA -0.997 54.282 55.300 -0.035 0.000 0.922 528 M CB 2.007 34.548 32.600 -0.099 0.000 1.600 528 M HN 0.604 nan 8.290 nan 0.000 0.433 529 I N 5.233 125.734 120.570 -0.116 0.000 2.322 529 I HA 0.314 4.483 4.170 -0.002 0.000 0.292 529 I C -0.379 175.594 176.117 -0.239 0.000 1.060 529 I CA -0.176 61.027 61.300 -0.162 0.000 1.309 529 I CB -0.053 37.871 38.000 -0.127 0.000 1.415 529 I HN 0.627 nan 8.210 nan 0.000 0.492 530 L N 8.510 129.543 121.223 -0.317 0.000 2.317 530 L HA 0.462 4.801 4.340 -0.002 0.000 0.281 530 L C -2.208 174.481 176.870 -0.302 0.000 1.024 530 L CA -1.855 52.712 54.840 -0.455 0.000 0.810 530 L CB 1.473 43.081 42.059 -0.752 0.000 1.240 530 L HN 0.285 nan 8.230 nan 0.000 0.427 531 P HA 0.051 nan 4.420 nan 0.000 0.267 531 P C -2.436 174.816 177.300 -0.080 0.000 1.200 531 P CA -0.871 62.153 63.100 -0.127 0.000 0.772 531 P CB -0.275 31.392 31.700 -0.056 0.000 0.855 532 P HA -0.060 nan 4.420 nan 0.000 0.267 532 P C -0.417 176.809 177.300 -0.125 0.000 1.200 532 P CA 0.458 63.423 63.100 -0.225 0.000 0.772 532 P CB -0.179 31.310 31.700 -0.352 0.000 0.855 533 H N -2.323 116.783 119.070 0.060 0.000 2.826 533 H HA -0.208 4.347 4.556 -0.002 0.000 0.306 533 H C -0.029 175.358 175.328 0.099 0.000 1.235 533 H CA -0.217 55.870 56.048 0.065 0.000 1.150 533 H CB -2.464 27.328 29.762 0.051 0.000 1.409 533 H HN 0.323 nan 8.280 nan 0.000 0.420 534 F N 2.309 122.259 119.950 0.000 0.000 2.602 534 F HA 0.119 4.645 4.527 -0.002 0.000 0.385 534 F C 0.509 176.326 175.800 0.027 0.000 1.063 534 F CA -0.102 57.856 58.000 -0.069 0.000 1.233 534 F CB 0.495 39.349 39.000 -0.243 0.000 1.067 534 F HN 0.272 nan 8.300 nan 0.000 0.564 535 D N 6.111 126.162 120.400 -0.583 0.000 2.471 535 D HA 0.140 4.779 4.640 -0.002 0.000 0.245 535 D C 0.360 176.266 176.300 -0.656 0.000 1.116 535 D CA -0.557 53.175 54.000 -0.447 0.000 0.853 535 D CB 1.207 41.917 40.800 -0.150 0.000 1.123 535 D HN 0.706 nan 8.370 nan 0.000 0.540 536 K N 1.073 121.123 120.400 -0.584 0.000 2.555 536 K HA -0.046 4.273 4.320 -0.002 0.000 0.193 536 K C 1.149 177.732 176.600 -0.029 0.000 1.032 536 K CA 0.559 56.670 56.287 -0.292 0.000 1.004 536 K CB 0.021 32.496 32.500 -0.041 0.000 0.804 536 K HN 0.193 nan 8.250 nan 0.000 0.496 537 S N -0.062 115.588 115.700 -0.083 0.000 2.478 537 S HA 0.086 4.555 4.470 -0.002 0.000 0.222 537 S C 0.646 175.208 174.600 -0.063 0.000 1.008 537 S CA -0.331 57.843 58.200 -0.043 0.000 0.928 537 S CB 0.054 63.222 63.200 -0.053 0.000 0.781 537 S HN 0.053 nan 8.310 nan 0.000 0.518 538 K N 1.888 122.219 120.400 -0.114 0.000 2.138 538 K HA 0.386 4.705 4.320 -0.002 0.000 0.251 538 K C -0.217 176.298 176.600 -0.142 0.000 1.015 538 K CA -0.134 56.024 56.287 -0.215 0.000 0.917 538 K CB 0.361 32.589 32.500 -0.453 0.000 1.021 538 K HN 0.137 nan 8.250 nan 0.000 0.485 539 K N 2.042 122.308 120.400 -0.224 0.000 2.235 539 K HA 0.304 4.623 4.320 -0.002 0.000 0.266 539 K C -0.736 175.742 176.600 -0.203 0.000 0.980 539 K CA -0.534 55.696 56.287 -0.096 0.000 0.849 539 K CB 0.953 33.401 32.500 -0.086 0.000 1.098 539 K HN 0.410 nan 8.250 nan 0.000 0.445 540 Y N 2.620 122.946 120.300 0.042 0.000 2.429 540 Y HA 0.291 4.840 4.550 -0.002 0.000 0.342 540 Y C -1.843 174.006 175.900 -0.084 0.000 1.004 540 Y CA -2.362 55.745 58.100 0.011 0.000 1.075 540 Y CB 1.345 39.880 38.460 0.125 0.000 1.214 540 Y HN 0.447 nan 8.280 nan 0.000 0.455 541 P HA 0.131 nan 4.420 nan 0.000 0.271 541 P C -1.095 176.101 177.300 -0.174 0.000 1.218 541 P CA -0.139 62.720 63.100 -0.401 0.000 0.780 541 P CB 1.492 32.616 31.700 -0.961 0.000 0.901 542 L N 2.967 124.116 121.223 -0.122 0.000 2.385 542 L HA 0.493 4.832 4.340 -0.002 0.000 0.273 542 L C -1.081 175.958 176.870 0.281 0.000 0.990 542 L CA -0.891 54.002 54.840 0.088 0.000 0.821 542 L CB 1.502 43.615 42.059 0.090 0.000 1.279 542 L HN 0.246 nan 8.230 nan 0.000 0.412 543 L N 6.199 127.606 121.223 0.308 0.000 2.262 543 L HA 0.385 4.724 4.340 -0.002 0.000 0.288 543 L C -0.825 176.282 176.870 0.395 0.000 1.035 543 L CA -0.590 54.491 54.840 0.402 0.000 0.820 543 L CB 1.310 43.561 42.059 0.319 0.000 1.204 543 L HN 0.656 nan 8.230 nan 0.000 0.424 544 L N 5.089 126.590 121.223 0.464 0.000 2.325 544 L HA 0.171 4.510 4.340 -0.002 0.000 0.284 544 L C -0.355 176.760 176.870 0.408 0.000 1.089 544 L CA -0.036 55.070 54.840 0.442 0.000 0.836 544 L CB 0.916 43.273 42.059 0.497 0.000 1.184 544 L HN 0.597 nan 8.230 nan 0.000 0.444 545 D N 4.540 125.158 120.400 0.363 0.000 2.347 545 D HA 0.279 4.918 4.640 -0.002 0.000 0.235 545 D C -0.755 175.639 176.300 0.156 0.000 1.149 545 D CA -0.148 53.991 54.000 0.232 0.000 0.850 545 D CB 1.328 42.323 40.800 0.325 0.000 1.061 545 D HN 0.127 nan 8.370 nan 0.000 0.487 546 V N 5.394 125.330 119.914 0.037 0.000 2.628 546 V HA 0.271 4.390 4.120 -0.002 0.000 0.306 546 V C -0.143 176.047 176.094 0.160 0.000 1.045 546 V CA -0.679 61.700 62.300 0.131 0.000 0.905 546 V CB 1.493 33.386 31.823 0.116 0.000 0.997 546 V HN 0.594 nan 8.190 nan 0.000 0.436 547 Y N 3.478 123.848 120.300 0.116 0.000 2.972 547 Y HA 0.548 5.097 4.550 -0.002 0.000 0.211 547 Y C 1.637 177.674 175.900 0.228 0.000 0.969 547 Y CA 1.215 59.409 58.100 0.156 0.000 1.574 547 Y CB 0.129 38.662 38.460 0.122 0.000 1.364 547 Y HN 0.728 nan 8.280 nan 0.000 0.467 548 A N 0.381 123.345 122.820 0.239 0.000 3.080 548 A HA -0.136 4.183 4.320 -0.002 0.000 0.254 548 A C 1.021 178.485 177.584 -0.198 0.000 1.277 548 A CA 0.798 52.908 52.037 0.122 0.000 1.065 548 A CB -2.577 16.547 19.000 0.207 0.000 1.160 548 A HN 0.979 nan 8.150 nan 0.000 0.886 549 G N -0.671 107.732 108.800 -0.661 0.000 2.667 549 G HA2 0.451 4.410 3.960 -0.002 0.000 0.250 549 G HA3 0.451 4.410 3.960 -0.002 0.000 0.250 549 G C -2.180 172.424 174.900 -0.493 0.000 1.212 549 G CA -0.532 43.763 45.100 -1.342 0.000 0.874 549 G HN 0.310 nan 8.290 nan 0.000 0.561 550 P HA 0.080 nan 4.420 nan 0.000 0.261 550 P C 0.564 177.781 177.300 -0.138 0.000 1.183 550 P CA 0.107 62.981 63.100 -0.377 0.000 0.761 550 P CB 0.632 31.752 31.700 -0.967 0.000 0.785 551 C N 2.661 121.921 119.300 -0.067 0.000 4.397 551 C HA -0.146 4.313 4.460 -0.002 0.000 0.291 551 C C 0.925 175.969 174.990 0.089 0.000 1.408 551 C CA 1.140 60.086 59.018 -0.120 0.000 1.971 551 C CB -2.724 24.776 27.740 -0.400 0.000 1.258 551 C HN 0.790 nan 8.230 nan 0.000 0.795 552 S N -0.001 115.806 115.700 0.178 0.000 2.652 552 S HA 0.631 5.100 4.470 -0.002 0.000 0.270 552 S C -0.685 174.082 174.600 0.278 0.000 1.243 552 S CA -0.092 58.288 58.200 0.300 0.000 0.999 552 S CB 1.754 65.204 63.200 0.417 0.000 0.973 552 S HN 0.787 nan 8.310 nan 0.000 0.544 553 Q N 0.160 120.142 119.800 0.303 0.000 2.269 553 Q HA 0.374 4.713 4.340 -0.002 0.000 0.263 553 Q C -0.737 175.385 176.000 0.204 0.000 0.983 553 Q CA -0.628 55.339 55.803 0.273 0.000 0.777 553 Q CB 1.121 30.068 28.738 0.348 0.000 1.273 553 Q HN 0.707 nan 8.270 nan 0.000 0.440 554 K N 1.179 121.699 120.400 0.200 0.000 2.374 554 K HA 0.337 4.656 4.320 -0.002 0.000 0.202 554 K C -0.578 176.129 176.600 0.178 0.000 1.040 554 K CA 0.172 56.568 56.287 0.181 0.000 1.085 554 K CB 1.563 34.196 32.500 0.221 0.000 0.873 554 K HN 0.506 nan 8.250 nan 0.000 0.539 555 A N 2.662 125.594 122.820 0.187 0.000 2.277 555 A HA 0.448 4.767 4.320 -0.002 0.000 0.318 555 A C -0.841 176.814 177.584 0.118 0.000 1.339 555 A CA -0.554 51.592 52.037 0.183 0.000 0.875 555 A CB 0.248 19.415 19.000 0.279 0.000 1.158 555 A HN 0.220 nan 8.150 nan 0.000 0.514 556 D N 0.003 120.446 120.400 0.071 0.000 2.752 556 D HA 0.447 5.086 4.640 -0.002 0.000 0.313 556 D C 0.293 176.598 176.300 0.009 0.000 1.225 556 D CA 0.245 54.272 54.000 0.045 0.000 0.976 556 D CB 0.455 41.279 40.800 0.040 0.000 1.443 556 D HN 0.192 nan 8.370 nan 0.000 0.515 557 T N -2.167 112.402 114.554 0.025 0.000 3.223 557 T HA 0.364 4.713 4.350 -0.002 0.000 0.259 557 T C 0.228 174.871 174.700 -0.095 0.000 1.015 557 T CA -0.436 61.669 62.100 0.009 0.000 0.908 557 T CB -0.838 68.079 68.868 0.082 0.000 1.054 557 T HN 0.268 nan 8.240 nan 0.000 0.567 558 V N 2.327 122.082 119.914 -0.265 0.000 2.686 558 V HA 0.366 4.485 4.120 -0.002 0.000 0.295 558 V C 0.069 176.100 176.094 -0.105 0.000 1.055 558 V CA -0.996 61.117 62.300 -0.312 0.000 1.050 558 V CB 0.352 31.882 31.823 -0.487 0.000 0.984 558 V HN 0.597 nan 8.190 nan 0.000 0.482 559 F N 6.021 125.867 119.950 -0.173 0.000 2.420 559 F HA 0.572 5.098 4.527 -0.002 0.000 0.352 559 F C 0.472 176.213 175.800 -0.099 0.000 1.108 559 F CA -0.223 57.704 58.000 -0.122 0.000 1.162 559 F CB 0.295 39.232 39.000 -0.105 0.000 1.118 559 F HN 0.424 nan 8.300 nan 0.000 0.510 560 R N 6.787 126.834 120.500 -0.754 0.000 2.686 560 R HA 0.547 4.885 4.340 -0.002 0.000 0.283 560 R C -1.620 174.261 176.300 -0.697 0.000 0.978 560 R CA -1.078 54.712 56.100 -0.516 0.000 0.897 560 R CB 2.183 32.332 30.300 -0.250 0.000 1.192 560 R HN 0.656 nan 8.270 nan 0.000 0.457 561 L N 4.060 125.056 121.223 -0.379 0.000 2.295 561 L HA 0.428 4.767 4.340 -0.002 0.000 0.281 561 L C -0.466 176.404 176.870 -0.001 0.000 1.018 561 L CA -0.652 54.021 54.840 -0.278 0.000 0.841 561 L CB 0.590 42.608 42.059 -0.068 0.000 1.218 561 L HN 0.786 nan 8.230 nan 0.000 0.424 562 N N 0.648 119.282 118.700 -0.111 0.000 3.522 562 N HA 0.129 4.868 4.740 -0.002 0.000 0.328 562 N C 0.090 175.302 175.510 -0.497 0.000 1.623 562 N CA -0.865 52.048 53.050 -0.227 0.000 0.812 562 N CB 0.172 38.623 38.487 -0.060 0.000 2.008 562 N HN 0.333 nan 8.380 nan 0.000 0.601 563 W N 0.676 121.440 121.300 -0.892 0.000 2.363 563 W HA 0.225 4.884 4.660 -0.002 0.000 0.296 563 W C 2.044 178.517 176.519 -0.077 0.000 1.212 563 W CA 2.811 59.813 57.345 -0.571 0.000 1.260 563 W CB -1.003 28.282 29.460 -0.291 0.000 1.131 563 W HN 0.710 nan 8.180 nan 0.000 0.530 564 A N -0.449 122.350 122.820 -0.035 0.000 1.972 564 A HA -0.193 4.126 4.320 -0.002 0.000 0.219 564 A C 1.944 179.424 177.584 -0.174 0.000 1.169 564 A CA 2.441 54.396 52.037 -0.136 0.000 0.635 564 A CB -1.244 17.754 19.000 -0.002 0.000 0.810 564 A HN 0.298 nan 8.150 nan 0.000 0.446 565 T N -1.128 113.330 114.554 -0.160 0.000 2.652 565 T HA -0.228 4.121 4.350 -0.002 0.000 0.267 565 T C 1.819 176.518 174.700 -0.000 0.000 1.039 565 T CA 1.739 63.709 62.100 -0.216 0.000 1.153 565 T CB -0.580 67.959 68.868 -0.550 0.000 0.863 565 T HN 0.657 nan 8.240 nan 0.000 0.428 566 Y N 2.050 122.434 120.300 0.140 0.000 2.165 566 Y HA -0.117 4.432 4.550 -0.002 0.000 0.286 566 Y C 1.961 177.842 175.900 -0.032 0.000 1.155 566 Y CA 1.069 59.281 58.100 0.187 0.000 1.164 566 Y CB -0.697 37.858 38.460 0.158 0.000 0.978 566 Y HN 0.143 nan 8.280 nan 0.000 0.513 567 L N -0.221 120.673 121.223 -0.548 0.000 2.093 567 L HA -0.158 4.181 4.340 -0.002 0.000 0.208 567 L C 2.783 179.416 176.870 -0.395 0.000 1.085 567 L CA 1.100 55.530 54.840 -0.683 0.000 0.755 567 L CB -0.877 40.805 42.059 -0.628 0.000 0.904 567 L HN 0.404 nan 8.230 nan 0.000 0.435 568 A N -1.078 121.584 122.820 -0.265 0.000 1.855 568 A HA -0.172 4.147 4.320 -0.002 0.000 0.213 568 A C 2.509 180.013 177.584 -0.134 0.000 1.195 568 A CA 1.643 53.573 52.037 -0.178 0.000 0.610 568 A CB -0.631 18.264 19.000 -0.174 0.000 0.837 568 A HN 0.318 nan 8.150 nan 0.000 0.444 569 S N -1.272 114.363 115.700 -0.109 0.000 2.383 569 S HA -0.102 4.366 4.470 -0.002 0.000 0.227 569 S C 1.845 176.436 174.600 -0.016 0.000 1.026 569 S CA 2.253 60.432 58.200 -0.035 0.000 0.981 569 S CB -0.295 62.936 63.200 0.052 0.000 0.818 569 S HN 0.565 nan 8.310 nan 0.000 0.472 570 T N 0.669 115.169 114.554 -0.089 0.000 3.056 570 T HA 0.232 4.581 4.350 -0.002 0.000 0.241 570 T C 1.204 175.844 174.700 -0.100 0.000 1.006 570 T CA 0.257 62.321 62.100 -0.059 0.000 1.115 570 T CB 0.011 68.876 68.868 -0.005 0.000 0.939 570 T HN 0.259 nan 8.240 nan 0.000 0.462 571 E N 1.584 121.643 120.200 -0.235 0.000 2.481 571 E HA 0.190 4.539 4.350 -0.002 0.000 0.198 571 E C -0.031 176.547 176.600 -0.037 0.000 1.027 571 E CA -0.104 56.215 56.400 -0.135 0.000 0.900 571 E CB -0.007 29.562 29.700 -0.218 0.000 0.993 571 E HN 0.314 nan 8.360 nan 0.000 0.482 572 N N 0.954 119.642 118.700 -0.021 0.000 2.727 572 N HA -0.205 4.534 4.740 -0.002 0.000 0.249 572 N C -0.474 175.108 175.510 0.119 0.000 1.048 572 N CA 0.732 53.837 53.050 0.092 0.000 0.714 572 N CB -1.479 37.121 38.487 0.189 0.000 0.959 572 N HN 0.316 nan 8.380 nan 0.000 0.544 573 I N 0.979 121.550 120.570 0.001 0.000 2.392 573 I HA 0.325 4.494 4.170 -0.002 0.000 0.295 573 I C 1.075 177.169 176.117 -0.039 0.000 0.985 573 I CA -0.731 60.579 61.300 0.017 0.000 1.221 573 I CB 1.289 39.299 38.000 0.017 0.000 1.366 573 I HN -0.070 nan 8.210 nan 0.000 0.467 574 I N 6.278 126.839 120.570 -0.015 0.000 2.416 574 I HA 0.141 4.310 4.170 -0.002 0.000 0.288 574 I C -0.357 175.756 176.117 -0.007 0.000 1.051 574 I CA -0.351 60.909 61.300 -0.066 0.000 1.375 574 I CB 1.034 39.009 38.000 -0.042 0.000 1.407 574 I HN 0.208 nan 8.210 nan 0.000 0.516 575 V N 6.689 126.585 119.914 -0.028 0.000 2.334 575 V HA 0.566 4.684 4.120 -0.002 0.000 0.281 575 V C 0.336 176.471 176.094 0.068 0.000 1.016 575 V CA -0.506 61.827 62.300 0.055 0.000 0.832 575 V CB 1.156 33.007 31.823 0.046 0.000 0.999 575 V HN 0.834 nan 8.190 nan 0.000 0.439 576 A N 3.959 126.855 122.820 0.127 0.000 2.325 576 A HA 0.915 5.234 4.320 -0.002 0.000 0.333 576 A C -0.046 177.725 177.584 0.311 0.000 1.155 576 A CA -0.455 51.670 52.037 0.148 0.000 0.814 576 A CB 1.400 20.378 19.000 -0.037 0.000 1.206 576 A HN 0.694 nan 8.150 nan 0.000 0.482 577 S N 0.209 116.132 115.700 0.372 0.000 2.536 577 S HA 0.716 5.185 4.470 -0.002 0.000 0.287 577 S C -1.358 173.596 174.600 0.590 0.000 1.101 577 S CA -0.302 58.151 58.200 0.422 0.000 0.950 577 S CB 1.238 64.621 63.200 0.305 0.000 1.056 577 S HN 0.675 nan 8.310 nan 0.000 0.481 578 F N 1.993 122.177 119.950 0.391 0.000 2.529 578 F HA 0.490 5.016 4.527 -0.002 0.000 0.320 578 F C -1.285 174.711 175.800 0.327 0.000 1.118 578 F CA -0.810 57.432 58.000 0.403 0.000 0.915 578 F CB 1.389 40.571 39.000 0.305 0.000 1.161 578 F HN 0.376 nan 8.300 nan 0.000 0.445 579 D N 4.578 124.782 120.400 -0.326 0.000 2.443 579 D HA 0.381 5.020 4.640 -0.002 0.000 0.221 579 D C 0.338 176.348 176.300 -0.484 0.000 1.097 579 D CA 0.161 54.047 54.000 -0.190 0.000 0.865 579 D CB 1.426 42.271 40.800 0.076 0.000 1.034 579 D HN 0.764 nan 8.370 nan 0.000 0.511 580 G N 1.360 109.971 108.800 -0.315 0.000 2.782 580 G HA2 0.323 4.282 3.960 -0.002 0.000 0.201 580 G HA3 0.323 4.282 3.960 -0.002 0.000 0.201 580 G C 0.084 174.983 174.900 -0.002 0.000 1.374 580 G CA -0.712 44.228 45.100 -0.267 0.000 1.039 580 G HN 0.285 nan 8.290 nan 0.000 0.576 581 R N -0.722 119.757 120.500 -0.035 0.000 2.623 581 R HA 0.375 4.714 4.340 -0.002 0.000 0.271 581 R C 1.262 177.649 176.300 0.145 0.000 1.043 581 R CA 1.433 57.606 56.100 0.122 0.000 1.083 581 R CB 0.531 30.889 30.300 0.097 0.000 0.974 581 R HN 1.053 nan 8.270 nan 0.000 0.436 582 G N 1.019 109.904 108.800 0.141 0.000 2.258 582 G HA2 -0.338 3.621 3.960 -0.002 0.000 0.233 582 G HA3 -0.338 3.621 3.960 -0.002 0.000 0.233 582 G C 0.156 175.093 174.900 0.062 0.000 1.006 582 G CA 0.196 45.359 45.100 0.106 0.000 0.620 582 G HN 0.732 nan 8.290 nan 0.000 0.511 583 S N 0.571 116.320 115.700 0.082 0.000 2.593 583 S HA 0.651 5.120 4.470 -0.002 0.000 0.269 583 S C 0.876 175.484 174.600 0.013 0.000 1.334 583 S CA 0.539 58.784 58.200 0.076 0.000 1.015 583 S CB 1.753 65.026 63.200 0.122 0.000 0.912 583 S HN 1.677 nan 8.310 nan 0.000 0.541 584 G N -0.622 108.160 108.800 -0.030 0.000 2.557 584 G HA2 0.487 4.446 3.960 -0.002 0.000 0.302 584 G HA3 0.487 4.446 3.960 -0.002 0.000 0.302 584 G C -0.926 173.885 174.900 -0.149 0.000 1.311 584 G CA -1.053 43.881 45.100 -0.277 0.000 1.030 584 G HN 0.932 nan 8.290 nan 0.000 0.509 585 Y N -2.241 118.063 120.300 0.006 0.000 4.409 585 Y HA -0.214 4.335 4.550 -0.002 0.000 0.228 585 Y C 1.394 177.301 175.900 0.012 0.000 1.108 585 Y CA 1.158 59.267 58.100 0.015 0.000 1.955 585 Y CB -2.105 36.378 38.460 0.039 0.000 1.615 585 Y HN 0.544 nan 8.280 nan 0.000 0.665 586 Q N -0.369 119.453 119.800 0.036 0.000 2.057 586 Q HA 0.497 4.835 4.340 -0.002 0.000 0.216 586 Q C 0.880 176.786 176.000 -0.156 0.000 0.788 586 Q CA 0.206 56.033 55.803 0.041 0.000 1.053 586 Q CB 1.709 30.477 28.738 0.049 0.000 1.210 586 Q HN 0.581 nan 8.270 nan 0.000 0.455 587 G N 0.704 109.297 108.800 -0.345 0.000 2.619 587 G HA2 -0.178 3.781 3.960 -0.002 0.000 0.686 587 G HA3 -0.178 3.781 3.960 -0.002 0.000 0.686 587 G C -0.542 174.009 174.900 -0.581 0.000 1.256 587 G CA -0.521 44.125 45.100 -0.757 0.000 0.826 587 G HN 0.078 nan 8.290 nan 0.000 0.619 588 D N 0.074 120.093 120.400 -0.635 0.000 2.144 588 D HA -0.049 4.590 4.640 -0.002 0.000 0.200 588 D C 2.294 178.331 176.300 -0.438 0.000 0.978 588 D CA 1.498 55.085 54.000 -0.688 0.000 0.833 588 D CB -0.043 40.362 40.800 -0.658 0.000 0.961 588 D HN 0.594 nan 8.370 nan 0.000 0.470 589 K N 0.819 121.028 120.400 -0.319 0.000 2.127 589 K HA -0.140 4.179 4.320 -0.002 0.000 0.208 589 K C 1.819 178.359 176.600 -0.100 0.000 1.047 589 K CA 1.207 57.394 56.287 -0.166 0.000 0.927 589 K CB -0.329 32.082 32.500 -0.148 0.000 0.716 589 K HN 0.184 nan 8.250 nan 0.000 0.450 590 I N -0.534 119.961 120.570 -0.125 0.000 2.494 590 I HA -0.077 4.092 4.170 -0.002 0.000 0.250 590 I C 2.486 178.599 176.117 -0.008 0.000 1.112 590 I CA 0.738 62.034 61.300 -0.007 0.000 1.438 590 I CB -0.091 37.923 38.000 0.023 0.000 1.111 590 I HN 0.287 nan 8.210 nan 0.000 0.431 591 M N 0.186 119.702 119.600 -0.139 0.000 2.132 591 M HA -0.206 4.273 4.480 -0.002 0.000 0.263 591 M C 2.039 178.368 176.300 0.048 0.000 1.065 591 M CA 1.861 57.096 55.300 -0.107 0.000 1.122 591 M CB -0.179 32.234 32.600 -0.312 0.000 1.365 591 M HN 0.214 nan 8.290 nan 0.000 0.411 592 H N -0.123 118.867 119.070 -0.133 0.000 2.547 592 H HA 0.250 4.804 4.556 -0.002 0.000 0.266 592 H C 1.911 177.265 175.328 0.043 0.000 0.988 592 H CA 0.755 56.728 56.048 -0.125 0.000 1.147 592 H CB -0.540 29.060 29.762 -0.269 0.000 1.365 592 H HN 0.502 nan 8.280 nan 0.000 0.589 593 A N 0.545 123.473 122.820 0.181 0.000 2.076 593 A HA -0.141 4.178 4.320 -0.002 0.000 0.220 593 A C 2.042 179.822 177.584 0.327 0.000 1.160 593 A CA 1.205 53.365 52.037 0.205 0.000 0.653 593 A CB -0.423 18.663 19.000 0.145 0.000 0.801 593 A HN 0.269 nan 8.150 nan 0.000 0.455 594 I N -0.476 120.265 120.570 0.285 0.000 3.883 594 I HA 0.099 4.268 4.170 -0.002 0.000 0.326 594 I C 0.542 176.752 176.117 0.155 0.000 1.283 594 I CA -0.570 60.864 61.300 0.222 0.000 1.161 594 I CB -0.650 37.453 38.000 0.172 0.000 1.012 594 I HN 0.306 nan 8.210 nan 0.000 0.421 595 N N 1.749 120.585 118.700 0.227 0.000 2.359 595 N HA -0.111 4.628 4.740 -0.002 0.000 0.261 595 N C 0.609 176.154 175.510 0.058 0.000 1.267 595 N CA 0.627 53.809 53.050 0.220 0.000 0.864 595 N CB 0.113 38.694 38.487 0.158 0.000 1.063 595 N HN 0.178 nan 8.380 nan 0.000 0.474 596 R N 0.666 121.181 120.500 0.026 0.000 4.000 596 R HA -0.242 4.097 4.340 -0.002 0.000 0.348 596 R C -0.455 175.730 176.300 -0.191 0.000 1.204 596 R CA 1.272 57.342 56.100 -0.050 0.000 0.987 596 R CB -1.404 28.882 30.300 -0.023 0.000 1.446 596 R HN 0.684 nan 8.270 nan 0.000 0.555 597 R N 0.598 120.953 120.500 -0.242 0.000 2.638 597 R HA 0.285 4.624 4.340 -0.002 0.000 0.269 597 R C -0.460 175.774 176.300 -0.111 0.000 1.393 597 R CA -0.446 55.297 56.100 -0.596 0.000 1.531 597 R CB 0.730 30.679 30.300 -0.585 0.000 1.327 597 R HN 0.000 nan 8.270 nan 0.000 0.709 598 L N 0.427 121.718 121.223 0.114 0.000 2.453 598 L HA 0.220 4.559 4.340 -0.002 0.000 0.272 598 L C 1.277 178.393 176.870 0.411 0.000 1.182 598 L CA 0.768 55.688 54.840 0.133 0.000 0.858 598 L CB 0.722 42.611 42.059 -0.284 0.000 1.120 598 L HN 0.779 nan 8.230 nan 0.000 0.474 599 G N 1.303 110.348 108.800 0.407 0.000 2.130 599 G HA2 -0.267 3.692 3.960 -0.002 0.000 0.216 599 G HA3 -0.267 3.692 3.960 -0.002 0.000 0.216 599 G C 0.407 175.392 174.900 0.143 0.000 0.999 599 G CA 0.422 45.726 45.100 0.341 0.000 0.686 599 G HN 0.794 nan 8.290 nan 0.000 0.515 600 T N -3.403 111.182 114.554 0.051 0.000 3.409 600 T HA 0.457 4.806 4.350 -0.002 0.000 0.188 600 T C 1.669 176.336 174.700 -0.056 0.000 0.929 600 T CA 0.960 62.985 62.100 -0.126 0.000 1.184 600 T CB -0.041 68.545 68.868 -0.471 0.000 1.570 600 T HN 0.124 nan 8.240 nan 0.000 0.367 601 F N 3.389 123.377 119.950 0.064 0.000 2.171 601 F HA 0.117 4.643 4.527 -0.002 0.000 0.300 601 F C 2.807 178.639 175.800 0.053 0.000 1.090 601 F CA 1.028 59.054 58.000 0.043 0.000 1.293 601 F CB -0.658 38.363 39.000 0.036 0.000 1.013 601 F HN 0.505 nan 8.300 nan 0.000 0.486 602 E N 0.645 120.997 120.200 0.252 0.000 2.150 602 E HA -0.123 4.226 4.350 -0.002 0.000 0.193 602 E C 2.095 178.801 176.600 0.176 0.000 0.985 602 E CA 1.489 58.016 56.400 0.213 0.000 0.814 602 E CB -0.974 28.865 29.700 0.232 0.000 0.752 602 E HN 0.297 nan 8.360 nan 0.000 0.466 603 V N 1.944 121.937 119.914 0.131 0.000 2.255 603 V HA -0.214 3.905 4.120 -0.002 0.000 0.243 603 V C 2.386 178.514 176.094 0.056 0.000 1.038 603 V CA 2.079 64.412 62.300 0.055 0.000 1.008 603 V CB -0.650 31.161 31.823 -0.020 0.000 0.645 603 V HN 0.213 nan 8.190 nan 0.000 0.449 604 E N 0.292 120.537 120.200 0.076 0.000 2.086 604 E HA -0.297 4.052 4.350 -0.002 0.000 0.200 604 E C 1.936 178.560 176.600 0.040 0.000 1.012 604 E CA 1.778 58.219 56.400 0.070 0.000 0.812 604 E CB -0.285 29.492 29.700 0.128 0.000 0.743 604 E HN 0.581 nan 8.360 nan 0.000 0.453 605 D N 0.272 120.712 120.400 0.068 0.000 2.144 605 D HA -0.136 4.503 4.640 -0.002 0.000 0.199 605 D C 2.058 178.322 176.300 -0.060 0.000 0.984 605 D CA 0.769 54.779 54.000 0.017 0.000 0.834 605 D CB -0.181 40.688 40.800 0.114 0.000 0.955 605 D HN 0.096 nan 8.370 nan 0.000 0.465 606 Q N 0.169 120.009 119.800 0.067 0.000 2.096 606 Q HA -0.089 4.250 4.340 -0.002 0.000 0.204 606 Q C 2.552 178.557 176.000 0.008 0.000 0.982 606 Q CA 0.679 56.518 55.803 0.061 0.000 0.850 606 Q CB -0.273 28.540 28.738 0.124 0.000 0.901 606 Q HN 0.441 nan 8.270 nan 0.000 0.422 607 I N 0.563 121.160 120.570 0.046 0.000 2.252 607 I HA -0.243 3.926 4.170 -0.002 0.000 0.245 607 I C 2.339 178.398 176.117 -0.096 0.000 1.102 607 I CA 1.112 62.476 61.300 0.107 0.000 1.385 607 I CB -0.179 37.880 38.000 0.099 0.000 1.064 607 I HN 0.139 nan 8.210 nan 0.000 0.414 608 E N 1.502 121.592 120.200 -0.183 0.000 2.150 608 E HA -0.150 4.198 4.350 -0.002 0.000 0.193 608 E C 2.069 178.369 176.600 -0.499 0.000 0.985 608 E CA 1.452 57.689 56.400 -0.272 0.000 0.814 608 E CB -0.101 29.466 29.700 -0.223 0.000 0.752 608 E HN 0.407 nan 8.360 nan 0.000 0.466 609 A N 0.696 123.052 122.820 -0.773 0.000 1.898 609 A HA 0.028 4.347 4.320 -0.002 0.000 0.216 609 A C 2.423 179.253 177.584 -1.256 0.000 1.181 609 A CA 1.812 53.065 52.037 -1.307 0.000 0.620 609 A CB -0.903 17.020 19.000 -1.796 0.000 0.819 609 A HN 0.363 nan 8.150 nan 0.000 0.442 610 A N -0.266 122.164 122.820 -0.649 0.000 1.969 610 A HA -0.130 4.189 4.320 -0.002 0.000 0.218 610 A C 2.231 179.609 177.584 -0.343 0.000 1.169 610 A CA 1.392 53.209 52.037 -0.366 0.000 0.635 610 A CB -0.427 18.444 19.000 -0.215 0.000 0.810 610 A HN 0.542 nan 8.150 nan 0.000 0.445 611 R N -0.696 119.596 120.500 -0.347 0.000 2.073 611 R HA -0.123 4.216 4.340 -0.002 0.000 0.234 611 R C 2.417 178.565 176.300 -0.253 0.000 1.134 611 R CA 1.425 57.369 56.100 -0.260 0.000 0.952 611 R CB -0.308 29.864 30.300 -0.214 0.000 0.850 611 R HN 0.568 nan 8.270 nan 0.000 0.433 612 Q N -0.091 119.496 119.800 -0.355 0.000 2.096 612 Q HA -0.164 4.175 4.340 -0.002 0.000 0.204 612 Q C 2.047 177.943 176.000 -0.173 0.000 0.982 612 Q CA 1.449 57.072 55.803 -0.299 0.000 0.850 612 Q CB -0.244 28.239 28.738 -0.425 0.000 0.901 612 Q HN 0.290 nan 8.270 nan 0.000 0.422 613 F N 1.080 120.868 119.950 -0.271 0.000 2.171 613 F HA -0.092 4.434 4.527 -0.002 0.000 0.300 613 F C 2.593 178.219 175.800 -0.290 0.000 1.090 613 F CA 0.618 58.448 58.000 -0.284 0.000 1.293 613 F CB -0.990 37.879 39.000 -0.218 0.000 1.013 613 F HN -0.042 nan 8.300 nan 0.000 0.486 614 S N 0.069 115.730 115.700 -0.065 0.000 2.356 614 S HA -0.191 4.278 4.470 -0.002 0.000 0.223 614 S C 1.971 176.485 174.600 -0.144 0.000 1.032 614 S CA 1.181 59.309 58.200 -0.121 0.000 1.005 614 S CB -0.236 62.880 63.200 -0.139 0.000 0.867 614 S HN 0.343 nan 8.310 nan 0.000 0.449 615 K N 0.937 121.255 120.400 -0.135 0.000 1.988 615 K HA -0.084 4.235 4.320 -0.002 0.000 0.221 615 K C 0.620 177.124 176.600 -0.159 0.000 1.053 615 K CA 0.882 57.095 56.287 -0.123 0.000 0.959 615 K CB -0.471 31.967 32.500 -0.102 0.000 0.728 615 K HN 0.345 nan 8.250 nan 0.000 0.447 616 M N 0.989 120.461 119.600 -0.213 0.000 2.226 616 M HA -0.131 4.348 4.480 -0.002 0.000 0.377 616 M C 1.215 177.253 176.300 -0.437 0.000 1.309 616 M CA 0.468 55.553 55.300 -0.359 0.000 0.874 616 M CB 0.147 32.360 32.600 -0.645 0.000 1.902 616 M HN 0.385 nan 8.290 nan 0.000 0.485 617 G N 2.971 111.630 108.800 -0.234 0.000 2.956 617 G HA2 0.071 4.030 3.960 -0.002 0.000 0.207 617 G HA3 0.071 4.030 3.960 -0.002 0.000 0.207 617 G C 0.541 175.436 174.900 -0.008 0.000 1.162 617 G CA -0.137 44.907 45.100 -0.094 0.000 0.796 617 G HN 0.845 nan 8.290 nan 0.000 0.527 618 F N -0.829 119.180 119.950 0.097 0.000 2.641 618 F HA 0.594 5.120 4.527 -0.002 0.000 0.302 618 F C -0.270 175.647 175.800 0.194 0.000 1.098 618 F CA -1.374 56.726 58.000 0.166 0.000 1.318 618 F CB -0.038 39.141 39.000 0.299 0.000 1.035 618 F HN -0.178 nan 8.300 nan 0.000 0.551 619 V N 1.551 121.441 119.914 -0.041 0.000 2.417 619 V HA 0.198 4.317 4.120 -0.002 0.000 0.291 619 V C -0.727 175.342 176.094 -0.041 0.000 1.024 619 V CA -0.806 61.485 62.300 -0.014 0.000 0.861 619 V CB 1.507 33.255 31.823 -0.126 0.000 0.985 619 V HN 0.102 nan 8.190 nan 0.000 0.436 620 D N 4.142 124.520 120.400 -0.037 0.000 2.359 620 D HA 0.046 4.685 4.640 -0.002 0.000 0.250 620 D C 1.322 177.567 176.300 -0.091 0.000 1.264 620 D CA -0.142 53.812 54.000 -0.077 0.000 0.911 620 D CB 0.472 41.208 40.800 -0.107 0.000 1.056 620 D HN 0.667 nan 8.370 nan 0.000 0.499 621 N N 3.061 121.710 118.700 -0.085 0.000 2.571 621 N HA -0.115 4.624 4.740 -0.002 0.000 0.189 621 N C 0.620 176.083 175.510 -0.079 0.000 1.154 621 N CA 0.155 53.148 53.050 -0.094 0.000 0.907 621 N CB 0.210 38.635 38.487 -0.103 0.000 0.977 621 N HN 0.367 nan 8.380 nan 0.000 0.449 622 K N 0.402 120.764 120.400 -0.064 0.000 2.418 622 K HA 0.129 4.448 4.320 -0.002 0.000 0.195 622 K C 0.424 177.018 176.600 -0.009 0.000 1.035 622 K CA 0.371 56.637 56.287 -0.034 0.000 1.003 622 K CB 0.343 32.825 32.500 -0.030 0.000 0.793 622 K HN 0.133 nan 8.250 nan 0.000 0.494 623 R N 1.322 121.784 120.500 -0.062 0.000 2.651 623 R HA 0.348 4.687 4.340 -0.002 0.000 0.282 623 R C -0.958 175.283 176.300 -0.099 0.000 1.565 623 R CA -0.130 55.917 56.100 -0.088 0.000 1.661 623 R CB 0.574 30.632 30.300 -0.403 0.000 1.189 623 R HN 0.006 nan 8.270 nan 0.000 0.621 624 I N 1.206 121.847 120.570 0.120 0.000 2.378 624 I HA 0.519 4.688 4.170 -0.002 0.000 0.291 624 I C 0.113 176.516 176.117 0.477 0.000 0.992 624 I CA -0.737 60.682 61.300 0.198 0.000 1.154 624 I CB 1.888 39.858 38.000 -0.051 0.000 1.315 624 I HN 0.324 nan 8.210 nan 0.000 0.448 625 A N 7.131 130.336 122.820 0.643 0.000 2.346 625 A HA 0.921 5.240 4.320 -0.002 0.000 0.313 625 A C -0.987 176.958 177.584 0.601 0.000 1.140 625 A CA -0.643 51.750 52.037 0.594 0.000 0.826 625 A CB 1.969 21.214 19.000 0.409 0.000 1.332 625 A HN 0.743 nan 8.150 nan 0.000 0.457 626 I N 0.101 120.936 120.570 0.441 0.000 2.802 626 I HA 0.734 4.903 4.170 -0.002 0.000 0.298 626 I C -1.928 174.452 176.117 0.438 0.000 1.176 626 I CA -0.630 60.870 61.300 0.332 0.000 1.025 626 I CB 1.834 39.768 38.000 -0.110 0.000 1.243 626 I HN 0.957 nan 8.210 nan 0.000 0.424 627 W N 6.414 127.840 121.300 0.211 0.000 3.066 627 W HA 0.815 5.474 4.660 -0.002 0.000 0.330 627 W C -1.513 175.149 176.519 0.238 0.000 1.253 627 W CA -0.769 56.706 57.345 0.216 0.000 1.187 627 W CB 0.844 30.479 29.460 0.291 0.000 1.434 627 W HN 0.868 nan 8.180 nan 0.000 0.572 628 G N 0.369 109.078 108.800 -0.152 0.000 2.523 628 G HA2 0.454 4.413 3.960 -0.002 0.000 0.291 628 G HA3 0.454 4.413 3.960 -0.002 0.000 0.291 628 G C -2.821 172.024 174.900 -0.091 0.000 1.450 628 G CA -0.780 44.052 45.100 -0.447 0.000 0.790 628 G HN 0.622 nan 8.290 nan 0.000 0.496 629 W N 0.812 121.996 121.300 -0.193 0.000 2.702 629 W HA 0.587 5.246 4.660 -0.002 0.000 0.331 629 W C 0.865 177.448 176.519 0.107 0.000 1.049 629 W CA 0.428 57.763 57.345 -0.017 0.000 1.230 629 W CB 1.848 31.312 29.460 0.006 0.000 1.408 629 W HN 1.241 nan 8.180 nan 0.000 0.492 630 S N 2.866 118.827 115.700 0.435 0.000 4.155 630 S HA -0.430 4.039 4.470 -0.002 0.000 0.576 630 S C 1.149 175.823 174.600 0.123 0.000 1.870 630 S CA 1.981 60.399 58.200 0.363 0.000 4.248 630 S CB -1.851 61.694 63.200 0.575 0.000 0.215 630 S HN 0.715 nan 8.310 nan 0.000 0.460 631 Y N 2.580 122.837 120.300 -0.072 0.000 2.293 631 Y HA 0.134 4.683 4.550 -0.002 0.000 0.291 631 Y C 2.332 178.146 175.900 -0.142 0.000 1.137 631 Y CA 2.283 60.264 58.100 -0.198 0.000 1.202 631 Y CB -0.924 37.214 38.460 -0.537 0.000 0.990 631 Y HN 0.484 nan 8.280 nan 0.000 0.537 632 G N -1.072 107.749 108.800 0.034 0.000 2.421 632 G HA2 -0.173 3.786 3.960 -0.002 0.000 0.217 632 G HA3 -0.173 3.786 3.960 -0.002 0.000 0.217 632 G C 1.896 176.821 174.900 0.042 0.000 1.143 632 G CA 0.643 45.785 45.100 0.071 0.000 0.784 632 G HN 0.546 nan 8.290 nan 0.000 0.541 633 G N -0.137 108.698 108.800 0.059 0.000 2.408 633 G HA2 -0.206 3.753 3.960 -0.002 0.000 0.217 633 G HA3 -0.206 3.753 3.960 -0.002 0.000 0.217 633 G C 1.590 176.505 174.900 0.025 0.000 1.150 633 G CA 1.035 46.153 45.100 0.031 0.000 0.776 633 G HN 0.441 nan 8.290 nan 0.000 0.542 634 Y N 1.093 121.292 120.300 -0.168 0.000 2.220 634 Y HA -0.021 4.528 4.550 -0.002 0.000 0.291 634 Y C 2.646 178.439 175.900 -0.179 0.000 1.129 634 Y CA 1.354 59.304 58.100 -0.250 0.000 1.161 634 Y CB -0.235 37.934 38.460 -0.485 0.000 0.997 634 Y HN 0.020 nan 8.280 nan 0.000 0.522 635 V N -0.315 119.467 119.914 -0.220 0.000 2.379 635 V HA -0.266 3.853 4.120 -0.002 0.000 0.245 635 V C 2.288 178.260 176.094 -0.204 0.000 1.044 635 V CA 2.322 64.476 62.300 -0.243 0.000 1.036 635 V CB -1.024 30.809 31.823 0.016 0.000 0.664 635 V HN 0.470 nan 8.190 nan 0.000 0.453 636 T N 0.156 114.646 114.554 -0.106 0.000 2.699 636 T HA -0.203 4.146 4.350 -0.002 0.000 0.268 636 T C 2.092 176.728 174.700 -0.108 0.000 1.036 636 T CA 2.111 64.160 62.100 -0.085 0.000 1.147 636 T CB -0.235 68.660 68.868 0.045 0.000 0.862 636 T HN 0.554 nan 8.240 nan 0.000 0.446 637 S N 0.947 116.609 115.700 -0.063 0.000 2.371 637 S HA 0.043 4.512 4.470 -0.002 0.000 0.224 637 S C 2.120 176.624 174.600 -0.161 0.000 1.029 637 S CA 0.737 58.929 58.200 -0.013 0.000 0.978 637 S CB -0.237 63.019 63.200 0.094 0.000 0.833 637 S HN 0.299 nan 8.310 nan 0.000 0.466 638 M N 1.240 120.659 119.600 -0.302 0.000 2.108 638 M HA -0.040 4.439 4.480 -0.002 0.000 0.261 638 M C 2.221 178.356 176.300 -0.275 0.000 1.066 638 M CA 1.116 56.222 55.300 -0.324 0.000 1.107 638 M CB -1.466 30.838 32.600 -0.492 0.000 1.356 638 M HN 0.176 nan 8.290 nan 0.000 0.406 639 V N 0.598 120.341 119.914 -0.285 0.000 2.295 639 V HA -0.246 3.873 4.120 -0.002 0.000 0.246 639 V C 2.526 178.419 176.094 -0.337 0.000 1.049 639 V CA 1.427 63.556 62.300 -0.285 0.000 1.024 639 V CB -0.650 30.941 31.823 -0.387 0.000 0.648 639 V HN 0.412 nan 8.190 nan 0.000 0.447 640 L N 0.388 121.347 121.223 -0.440 0.000 2.191 640 L HA -0.051 4.288 4.340 -0.002 0.000 0.212 640 L C 2.254 178.616 176.870 -0.846 0.000 1.103 640 L CA 1.444 55.940 54.840 -0.573 0.000 0.769 640 L CB -0.771 40.904 42.059 -0.640 0.000 0.908 640 L HN 0.496 nan 8.230 nan 0.000 0.438 641 G N -1.238 107.075 108.800 -0.811 0.000 3.088 641 G HA2 -0.069 3.889 3.960 -0.002 0.000 0.212 641 G HA3 -0.069 3.889 3.960 -0.002 0.000 0.212 641 G C 1.447 176.183 174.900 -0.273 0.000 1.173 641 G CA 0.602 45.324 45.100 -0.631 0.000 0.779 641 G HN 0.442 nan 8.290 nan 0.000 0.540 642 S N -0.794 114.770 115.700 -0.226 0.000 2.548 642 S HA 0.324 4.793 4.470 -0.002 0.000 0.215 642 S C 1.854 176.406 174.600 -0.080 0.000 0.976 642 S CA 0.881 59.011 58.200 -0.116 0.000 0.908 642 S CB -0.034 63.117 63.200 -0.082 0.000 0.781 642 S HN 1.286 nan 8.310 nan 0.000 0.519 643 G N 1.739 110.478 108.800 -0.102 0.000 2.225 643 G HA2 -0.345 3.614 3.960 -0.002 0.000 0.267 643 G HA3 -0.345 3.614 3.960 -0.002 0.000 0.267 643 G C 0.909 175.794 174.900 -0.025 0.000 1.024 643 G CA 0.841 45.906 45.100 -0.059 0.000 0.784 643 G HN 1.241 nan 8.290 nan 0.000 0.507 644 S N -1.204 114.492 115.700 -0.007 0.000 2.436 644 S HA 0.341 4.810 4.470 -0.002 0.000 0.228 644 S C 2.420 177.022 174.600 0.004 0.000 1.014 644 S CA 1.519 59.725 58.200 0.010 0.000 0.950 644 S CB -0.045 63.184 63.200 0.049 0.000 0.784 644 S HN 2.372 nan 8.310 nan 0.000 0.504 645 G N 0.073 108.884 108.800 0.018 0.000 2.176 645 G HA2 -0.269 3.690 3.960 -0.002 0.000 0.253 645 G HA3 -0.269 3.690 3.960 -0.002 0.000 0.253 645 G C 0.710 175.590 174.900 -0.032 0.000 0.979 645 G CA 0.319 45.419 45.100 0.001 0.000 0.641 645 G HN 0.671 nan 8.290 nan 0.000 0.530 646 V N -0.495 119.381 119.914 -0.064 0.000 2.788 646 V HA 0.310 4.429 4.120 -0.002 0.000 0.251 646 V C 0.975 176.809 176.094 -0.433 0.000 1.068 646 V CA 1.300 63.422 62.300 -0.297 0.000 1.090 646 V CB -0.310 31.225 31.823 -0.479 0.000 0.710 646 V HN 0.308 nan 8.190 nan 0.000 0.467 647 F N -0.301 119.659 119.950 0.017 0.000 2.458 647 F HA 0.418 4.944 4.527 -0.002 0.000 0.336 647 F C 1.000 176.841 175.800 0.068 0.000 1.114 647 F CA -0.637 57.399 58.000 0.060 0.000 0.987 647 F CB 1.743 40.778 39.000 0.057 0.000 1.130 647 F HN -0.284 nan 8.300 nan 0.000 0.458 648 K N 1.705 122.268 120.400 0.271 0.000 2.098 648 K HA 0.098 4.417 4.320 -0.002 0.000 0.203 648 K C -0.045 176.682 176.600 0.211 0.000 1.051 648 K CA 0.990 57.398 56.287 0.202 0.000 0.957 648 K CB 0.267 32.887 32.500 0.201 0.000 0.738 648 K HN 0.788 nan 8.250 nan 0.000 0.447 649 c N -2.807 115.953 118.600 0.267 0.000 3.318 649 c HA 0.907 5.476 4.570 -0.002 0.000 0.322 649 c C -0.256 174.052 174.090 0.363 0.000 1.398 649 c CA -0.568 55.934 56.329 0.290 0.000 1.339 649 c CB 1.110 43.703 42.510 0.138 0.000 1.668 649 c HN 0.373 nan 8.230 nan 0.000 0.462 650 G N 0.001 109.084 108.800 0.471 0.000 2.673 650 G HA2 0.697 4.656 3.960 -0.002 0.000 0.292 650 G HA3 0.697 4.656 3.960 -0.002 0.000 0.292 650 G C -1.999 173.131 174.900 0.382 0.000 1.450 650 G CA -0.703 44.647 45.100 0.416 0.000 0.837 650 G HN 1.005 nan 8.290 nan 0.000 0.505 651 I N 0.776 121.539 120.570 0.321 0.000 2.436 651 I HA 0.618 4.786 4.170 -0.002 0.000 0.289 651 I C 0.237 176.467 176.117 0.188 0.000 1.010 651 I CA -0.964 60.405 61.300 0.115 0.000 1.098 651 I CB 2.220 40.264 38.000 0.073 0.000 1.266 651 I HN 0.645 nan 8.210 nan 0.000 0.434 652 A N 6.556 129.380 122.820 0.007 0.000 2.287 652 A HA 0.785 5.103 4.320 -0.002 0.000 0.317 652 A C -0.674 176.812 177.584 -0.162 0.000 1.220 652 A CA -0.505 51.537 52.037 0.008 0.000 0.835 652 A CB 1.047 20.103 19.000 0.093 0.000 1.180 652 A HN 0.451 nan 8.150 nan 0.000 0.500 653 V N 1.963 121.740 119.914 -0.228 0.000 2.459 653 V HA 0.586 4.705 4.120 -0.002 0.000 0.295 653 V C 0.991 176.711 176.094 -0.623 0.000 1.029 653 V CA 0.194 62.149 62.300 -0.576 0.000 0.874 653 V CB 0.991 32.161 31.823 -1.087 0.000 0.985 653 V HN 2.050 nan 8.190 nan 0.000 0.438 654 A N 5.354 127.738 122.820 -0.727 0.000 2.364 654 A HA -0.110 4.209 4.320 -0.002 0.000 0.288 654 A C -1.718 175.666 177.584 -0.334 0.000 1.433 654 A CA 0.324 51.817 52.037 -0.907 0.000 0.757 654 A CB -1.611 17.035 19.000 -0.591 0.000 1.098 654 A HN 0.630 nan 8.150 nan 0.000 0.380 655 P HA 0.351 nan 4.420 nan 0.000 0.274 655 P C 0.240 177.493 177.300 -0.078 0.000 1.231 655 P CA -0.083 62.972 63.100 -0.075 0.000 0.790 655 P CB 1.064 32.748 31.700 -0.026 0.000 0.951 656 V N 2.401 122.192 119.914 -0.204 0.000 2.686 656 V HA 0.084 4.203 4.120 -0.002 0.000 0.295 656 V C 1.660 177.576 176.094 -0.297 0.000 1.055 656 V CA 1.011 63.055 62.300 -0.427 0.000 1.050 656 V CB 0.767 31.960 31.823 -1.050 0.000 0.984 656 V HN 0.839 nan 8.190 nan 0.000 0.482 657 S N 3.796 119.341 115.700 -0.257 0.000 2.593 657 S HA 0.335 4.804 4.470 -0.002 0.000 0.235 657 S C 0.487 174.934 174.600 -0.255 0.000 1.059 657 S CA -0.402 57.723 58.200 -0.124 0.000 0.953 657 S CB 0.386 63.575 63.200 -0.018 0.000 0.897 657 S HN 0.677 nan 8.310 nan 0.000 0.507 658 R N -0.826 119.387 120.500 -0.479 0.000 2.560 658 R HA 0.319 4.657 4.340 -0.002 0.000 0.267 658 R C -1.231 174.722 176.300 -0.578 0.000 1.150 658 R CA -0.599 55.152 56.100 -0.581 0.000 0.997 658 R CB 0.455 30.268 30.300 -0.811 0.000 1.250 658 R HN 0.259 nan 8.270 nan 0.000 0.433 659 W N 1.954 123.167 121.300 -0.145 0.000 2.465 659 W HA -0.018 4.641 4.660 -0.002 0.000 0.268 659 W C 1.308 177.959 176.519 0.220 0.000 1.242 659 W CA 0.474 57.827 57.345 0.012 0.000 1.248 659 W CB 0.419 29.813 29.460 -0.111 0.000 1.118 659 W HN 0.714 nan 8.180 nan 0.000 0.587 660 E N -0.839 119.541 120.200 0.301 0.000 2.265 660 E HA -0.217 4.132 4.350 -0.002 0.000 0.196 660 E C 1.413 178.166 176.600 0.256 0.000 0.996 660 E CA 1.132 57.646 56.400 0.190 0.000 0.832 660 E CB -0.413 29.287 29.700 -0.000 0.000 0.756 660 E HN 0.348 nan 8.360 nan 0.000 0.491 661 Y N -1.413 118.973 120.300 0.144 0.000 2.475 661 Y HA 0.049 4.598 4.550 -0.002 0.000 0.289 661 Y C 0.810 176.804 175.900 0.157 0.000 1.121 661 Y CA -0.225 57.934 58.100 0.099 0.000 1.257 661 Y CB -0.524 37.942 38.460 0.010 0.000 1.026 661 Y HN 0.038 nan 8.280 nan 0.000 0.555 662 Y N 1.725 122.176 120.300 0.252 0.000 2.408 662 Y HA 0.296 4.844 4.550 -0.002 0.000 0.324 662 Y C 0.301 176.413 175.900 0.353 0.000 1.302 662 Y CA -2.067 56.186 58.100 0.254 0.000 1.384 662 Y CB 0.355 38.983 38.460 0.281 0.000 1.367 662 Y HN 0.165 nan 8.280 nan 0.000 0.525 663 D N -0.685 119.415 120.400 -0.501 0.000 2.357 663 D HA 0.107 4.746 4.640 -0.002 0.000 0.242 663 D C 0.871 177.157 176.300 -0.024 0.000 1.153 663 D CA 0.301 54.107 54.000 -0.325 0.000 0.918 663 D CB 0.938 41.301 40.800 -0.729 0.000 1.181 663 D HN 0.468 nan 8.370 nan 0.000 0.435 664 S N 0.660 116.346 115.700 -0.023 0.000 2.368 664 S HA -0.176 4.293 4.470 -0.002 0.000 0.224 664 S C 1.904 176.532 174.600 0.047 0.000 1.029 664 S CA 0.960 59.199 58.200 0.066 0.000 0.988 664 S CB -0.857 62.382 63.200 0.065 0.000 0.838 664 S HN 0.409 nan 8.310 nan 0.000 0.462 665 V N 0.685 120.568 119.914 -0.052 0.000 2.343 665 V HA -0.132 3.987 4.120 -0.002 0.000 0.247 665 V C 2.281 178.300 176.094 -0.124 0.000 1.051 665 V CA 2.053 64.244 62.300 -0.183 0.000 1.036 665 V CB -0.985 30.576 31.823 -0.437 0.000 0.654 665 V HN 0.621 nan 8.190 nan 0.000 0.451 666 Y N 1.229 121.485 120.300 -0.072 0.000 2.206 666 Y HA -0.171 4.378 4.550 -0.002 0.000 0.292 666 Y C 2.668 178.589 175.900 0.035 0.000 1.123 666 Y CA 2.148 60.277 58.100 0.049 0.000 1.142 666 Y CB -0.426 38.249 38.460 0.359 0.000 1.006 666 Y HN 0.209 nan 8.280 nan 0.000 0.518 667 T N 0.291 115.047 114.554 0.336 0.000 2.701 667 T HA -0.173 4.176 4.350 -0.002 0.000 0.263 667 T C 1.558 176.235 174.700 -0.039 0.000 1.040 667 T CA 1.873 64.109 62.100 0.226 0.000 1.147 667 T CB -0.287 68.862 68.868 0.469 0.000 0.865 667 T HN 0.403 nan 8.240 nan 0.000 0.426 668 E N 0.586 120.791 120.200 0.009 0.000 2.204 668 E HA -0.092 4.257 4.350 -0.002 0.000 0.194 668 E C 2.322 178.809 176.600 -0.189 0.000 0.989 668 E CA 0.476 56.873 56.400 -0.004 0.000 0.824 668 E CB -0.107 29.630 29.700 0.062 0.000 0.756 668 E HN 0.310 nan 8.360 nan 0.000 0.477 669 R N -0.027 120.208 120.500 -0.442 0.000 2.117 669 R HA -0.198 4.141 4.340 -0.002 0.000 0.243 669 R C 1.134 176.875 176.300 -0.932 0.000 1.143 669 R CA 1.618 57.253 56.100 -0.775 0.000 0.968 669 R CB -0.003 29.525 30.300 -1.286 0.000 0.863 669 R HN 0.246 nan 8.270 nan 0.000 0.444 670 Y N -2.568 117.425 120.300 -0.512 0.000 2.498 670 Y HA 0.255 4.804 4.550 -0.002 0.000 0.259 670 Y C 1.524 177.252 175.900 -0.288 0.000 1.086 670 Y CA -0.097 57.705 58.100 -0.496 0.000 1.287 670 Y CB 0.567 38.605 38.460 -0.702 0.000 1.146 670 Y HN -0.036 nan 8.280 nan 0.000 0.523 671 M N -0.422 119.088 119.600 -0.150 0.000 2.306 671 M HA 0.379 4.858 4.480 -0.002 0.000 0.292 671 M C 1.013 177.345 176.300 0.054 0.000 1.018 671 M CA 0.685 55.896 55.300 -0.149 0.000 1.007 671 M CB -0.083 32.239 32.600 -0.462 0.000 1.510 671 M HN 0.321 nan 8.290 nan 0.000 0.537 672 G N 1.971 110.810 108.800 0.065 0.000 2.645 672 G HA2 -0.247 3.712 3.960 -0.002 0.000 0.246 672 G HA3 -0.247 3.712 3.960 -0.002 0.000 0.246 672 G C -0.437 174.597 174.900 0.223 0.000 1.322 672 G CA -0.678 44.494 45.100 0.120 0.000 0.898 672 G HN 0.362 nan 8.290 nan 0.000 0.573 673 L N 1.625 122.942 121.223 0.156 0.000 2.357 673 L HA 0.429 4.768 4.340 -0.002 0.000 0.273 673 L C -1.410 175.466 176.870 0.010 0.000 1.080 673 L CA -1.785 53.103 54.840 0.080 0.000 0.803 673 L CB 1.818 43.890 42.059 0.022 0.000 1.174 673 L HN 0.440 nan 8.230 nan 0.000 0.443 674 P HA 0.057 nan 4.420 nan 0.000 0.220 674 P C -0.339 176.827 177.300 -0.222 0.000 1.778 674 P CA -0.128 62.613 63.100 -0.599 0.000 0.912 674 P CB -0.520 30.488 31.700 -1.153 0.000 1.861 675 T N -3.446 111.058 114.554 -0.083 0.000 2.925 675 T HA 0.449 4.798 4.350 -0.002 0.000 0.285 675 T C -2.065 172.634 174.700 -0.001 0.000 1.021 675 T CA -2.448 59.629 62.100 -0.039 0.000 1.042 675 T CB 1.635 70.490 68.868 -0.022 0.000 1.037 675 T HN -0.273 nan 8.240 nan 0.000 0.481 676 P HA -0.109 nan 4.420 nan 0.000 0.218 676 P C 1.108 178.422 177.300 0.023 0.000 1.148 676 P CA 1.158 64.268 63.100 0.017 0.000 0.822 676 P CB -0.031 31.675 31.700 0.010 0.000 0.784 677 E N -1.809 118.400 120.200 0.016 0.000 2.481 677 E HA -0.058 4.291 4.350 -0.002 0.000 0.195 677 E C 1.324 177.940 176.600 0.027 0.000 1.047 677 E CA 0.466 56.876 56.400 0.018 0.000 0.867 677 E CB -0.314 29.391 29.700 0.009 0.000 0.858 677 E HN 0.157 nan 8.360 nan 0.000 0.513 678 D N 0.933 121.355 120.400 0.037 0.000 2.931 678 D HA 0.046 4.685 4.640 -0.002 0.000 0.241 678 D C 0.308 176.662 176.300 0.089 0.000 1.494 678 D CA 0.110 54.144 54.000 0.056 0.000 1.260 678 D CB 0.001 40.836 40.800 0.058 0.000 0.953 678 D HN 0.120 nan 8.370 nan 0.000 0.240 679 N N 0.094 118.879 118.700 0.141 0.000 2.387 679 N HA 0.022 4.761 4.740 -0.002 0.000 0.259 679 N C 1.161 176.866 175.510 0.324 0.000 1.369 679 N CA -0.094 53.083 53.050 0.212 0.000 0.867 679 N CB 0.857 39.483 38.487 0.230 0.000 1.341 679 N HN -0.006 nan 8.380 nan 0.000 0.495 680 L N 1.223 122.565 121.223 0.199 0.000 2.079 680 L HA -0.123 4.216 4.340 -0.002 0.000 0.210 680 L C 1.462 178.448 176.870 0.193 0.000 1.081 680 L CA 1.986 56.922 54.840 0.159 0.000 0.752 680 L CB -0.411 41.671 42.059 0.038 0.000 0.896 680 L HN 0.153 nan 8.230 nan 0.000 0.433 681 D N -1.441 119.051 120.400 0.154 0.000 2.123 681 D HA -0.259 4.380 4.640 -0.002 0.000 0.196 681 D C 2.065 178.461 176.300 0.161 0.000 0.992 681 D CA 1.775 55.853 54.000 0.130 0.000 0.833 681 D CB -0.150 40.714 40.800 0.106 0.000 0.954 681 D HN 0.578 nan 8.370 nan 0.000 0.455 682 H N -0.981 118.151 119.070 0.103 0.000 2.470 682 H HA -0.026 4.529 4.556 -0.002 0.000 0.289 682 H C 1.661 177.041 175.328 0.087 0.000 1.033 682 H CA 1.023 57.107 56.048 0.060 0.000 1.331 682 H CB -0.268 29.491 29.762 -0.004 0.000 1.414 682 H HN 0.135 nan 8.280 nan 0.000 0.545 683 Y N 0.432 120.714 120.300 -0.031 0.000 2.114 683 Y HA -0.222 4.327 4.550 -0.002 0.000 0.282 683 Y C 2.361 178.218 175.900 -0.072 0.000 1.165 683 Y CA 1.690 59.773 58.100 -0.029 0.000 1.148 683 Y CB 0.074 38.552 38.460 0.031 0.000 0.972 683 Y HN 0.130 nan 8.280 nan 0.000 0.504 684 R N -0.357 120.215 120.500 0.119 0.000 2.236 684 R HA -0.061 4.278 4.340 -0.002 0.000 0.208 684 R C 1.377 177.674 176.300 -0.004 0.000 1.036 684 R CA 0.811 56.936 56.100 0.042 0.000 1.001 684 R CB -0.642 29.686 30.300 0.046 0.000 0.896 684 R HN 0.322 nan 8.270 nan 0.000 0.464 685 N N 0.413 119.093 118.700 -0.034 0.000 2.373 685 N HA -0.056 4.682 4.740 -0.002 0.000 0.181 685 N C 0.235 175.698 175.510 -0.080 0.000 1.082 685 N CA 0.407 53.439 53.050 -0.030 0.000 0.885 685 N CB 0.358 38.868 38.487 0.039 0.000 0.977 685 N HN 0.058 nan 8.380 nan 0.000 0.462 686 S N -1.225 114.375 115.700 -0.167 0.000 2.562 686 S HA 0.166 4.635 4.470 -0.002 0.000 0.246 686 S C 0.276 174.904 174.600 0.046 0.000 1.056 686 S CA -0.638 57.503 58.200 -0.098 0.000 1.042 686 S CB -0.756 62.262 63.200 -0.304 0.000 0.822 686 S HN 0.206 nan 8.310 nan 0.000 0.465 687 T N -1.601 112.946 114.554 -0.012 0.000 2.922 687 T HA 0.535 4.884 4.350 -0.002 0.000 0.285 687 T C 1.316 176.006 174.700 -0.017 0.000 1.005 687 T CA -0.638 61.445 62.100 -0.028 0.000 1.061 687 T CB 1.381 70.203 68.868 -0.077 0.000 1.007 687 T HN -0.039 nan 8.240 nan 0.000 0.502 688 V N 1.781 121.681 119.914 -0.023 0.000 2.358 688 V HA -0.130 3.989 4.120 -0.002 0.000 0.246 688 V C 2.641 178.700 176.094 -0.057 0.000 1.047 688 V CA 1.663 63.937 62.300 -0.044 0.000 1.035 688 V CB -0.949 30.842 31.823 -0.053 0.000 0.658 688 V HN 0.825 nan 8.190 nan 0.000 0.452 689 M N 1.174 120.729 119.600 -0.075 0.000 2.144 689 M HA -0.167 4.312 4.480 -0.002 0.000 0.260 689 M C 2.273 178.541 176.300 -0.053 0.000 1.067 689 M CA 2.167 57.416 55.300 -0.085 0.000 1.095 689 M CB -0.960 31.604 32.600 -0.060 0.000 1.365 689 M HN 0.526 nan 8.290 nan 0.000 0.406 690 S N -0.495 115.186 115.700 -0.032 0.000 2.555 690 S HA -0.027 4.442 4.470 -0.002 0.000 0.230 690 S C 1.680 176.282 174.600 0.003 0.000 0.978 690 S CA 0.503 58.695 58.200 -0.014 0.000 0.934 690 S CB -0.354 62.839 63.200 -0.012 0.000 0.766 690 S HN 0.535 nan 8.310 nan 0.000 0.533 691 R N 0.036 120.549 120.500 0.022 0.000 2.432 691 R HA 0.441 4.780 4.340 -0.002 0.000 0.260 691 R C 2.123 178.520 176.300 0.161 0.000 0.935 691 R CA 0.438 56.580 56.100 0.070 0.000 1.080 691 R CB -0.114 30.229 30.300 0.070 0.000 1.155 691 R HN 0.465 nan 8.270 nan 0.000 0.531 692 A N 1.796 124.656 122.820 0.067 0.000 1.927 692 A HA -0.229 4.090 4.320 -0.002 0.000 0.220 692 A C 1.809 179.475 177.584 0.138 0.000 1.185 692 A CA 1.427 53.475 52.037 0.019 0.000 0.639 692 A CB -0.165 18.774 19.000 -0.102 0.000 0.820 692 A HN 0.200 nan 8.150 nan 0.000 0.451 693 E N 0.215 120.469 120.200 0.089 0.000 2.130 693 E HA -0.194 4.155 4.350 -0.002 0.000 0.196 693 E C 1.450 178.107 176.600 0.096 0.000 0.998 693 E CA 1.288 57.735 56.400 0.078 0.000 0.806 693 E CB -0.412 29.315 29.700 0.045 0.000 0.738 693 E HN 0.617 nan 8.360 nan 0.000 0.459 694 N N 0.115 118.868 118.700 0.089 0.000 2.459 694 N HA -0.069 4.670 4.740 -0.002 0.000 0.181 694 N C 1.383 176.877 175.510 -0.027 0.000 1.046 694 N CA 0.356 53.408 53.050 0.004 0.000 0.904 694 N CB -0.327 38.117 38.487 -0.072 0.000 0.964 694 N HN 0.134 nan 8.380 nan 0.000 0.444 695 F N 1.657 121.560 119.950 -0.077 0.000 2.546 695 F HA -0.099 4.427 4.527 -0.002 0.000 0.298 695 F C 1.691 177.492 175.800 0.002 0.000 1.120 695 F CA 0.677 58.626 58.000 -0.085 0.000 1.456 695 F CB 0.002 38.901 39.000 -0.170 0.000 1.088 695 F HN 0.061 nan 8.300 nan 0.000 0.572 696 K N 0.003 120.502 120.400 0.164 0.000 2.555 696 K HA -0.106 4.213 4.320 -0.002 0.000 0.193 696 K C 1.047 177.705 176.600 0.096 0.000 1.032 696 K CA 0.986 57.353 56.287 0.134 0.000 1.004 696 K CB -0.765 31.796 32.500 0.103 0.000 0.804 696 K HN 0.308 nan 8.250 nan 0.000 0.496 697 Q N 0.515 120.352 119.800 0.062 0.000 2.356 697 Q HA 0.139 4.478 4.340 -0.002 0.000 0.205 697 Q C 0.106 176.141 176.000 0.058 0.000 0.901 697 Q CA 0.114 55.943 55.803 0.043 0.000 0.938 697 Q CB 0.773 29.516 28.738 0.009 0.000 1.081 697 Q HN 0.329 nan 8.270 nan 0.000 0.517 698 V N -2.997 116.965 119.914 0.081 0.000 3.130 698 V HA 0.483 4.602 4.120 -0.002 0.000 0.310 698 V C -1.315 174.909 176.094 0.216 0.000 1.158 698 V CA -1.272 61.101 62.300 0.121 0.000 1.029 698 V CB 2.326 34.191 31.823 0.070 0.000 1.057 698 V HN -0.030 nan 8.190 nan 0.000 0.436 699 E N 1.453 121.807 120.200 0.257 0.000 2.227 699 E HA 0.478 4.827 4.350 -0.002 0.000 0.282 699 E C -1.828 175.120 176.600 0.581 0.000 1.015 699 E CA -0.346 56.277 56.400 0.371 0.000 0.823 699 E CB 1.730 31.584 29.700 0.258 0.000 1.081 699 E HN 0.690 nan 8.360 nan 0.000 0.396 700 Y N 3.258 123.813 120.300 0.426 0.000 2.391 700 Y HA 0.422 4.971 4.550 -0.002 0.000 0.341 700 Y C -1.775 174.213 175.900 0.147 0.000 0.965 700 Y CA -1.448 56.849 58.100 0.329 0.000 1.067 700 Y CB 1.053 39.740 38.460 0.379 0.000 1.199 700 Y HN 0.418 nan 8.280 nan 0.000 0.450 701 L N 7.714 128.661 121.223 -0.460 0.000 2.325 701 L HA 0.645 4.983 4.340 -0.002 0.000 0.281 701 L C -2.110 174.318 176.870 -0.737 0.000 1.004 701 L CA -0.821 53.589 54.840 -0.717 0.000 0.823 701 L CB 1.343 42.642 42.059 -1.267 0.000 1.236 701 L HN 0.653 nan 8.230 nan 0.000 0.415 702 L N 6.701 127.594 121.223 -0.551 0.000 2.325 702 L HA 0.697 5.036 4.340 -0.002 0.000 0.281 702 L C -1.261 175.487 176.870 -0.203 0.000 1.004 702 L CA -0.010 54.551 54.840 -0.466 0.000 0.823 702 L CB 1.235 43.037 42.059 -0.429 0.000 1.236 702 L HN 0.590 nan 8.230 nan 0.000 0.415 703 I N 4.427 124.883 120.570 -0.190 0.000 2.608 703 I HA 0.500 4.669 4.170 -0.002 0.000 0.295 703 I C -1.099 174.991 176.117 -0.046 0.000 1.049 703 I CA -0.655 60.595 61.300 -0.083 0.000 1.063 703 I CB 2.108 40.021 38.000 -0.145 0.000 1.248 703 I HN 0.689 nan 8.210 nan 0.000 0.424 704 H N 2.100 121.216 119.070 0.077 0.000 3.079 704 H HA 0.505 5.060 4.556 -0.002 0.000 0.356 704 H C -0.490 175.064 175.328 0.378 0.000 1.221 704 H CA -0.691 55.444 56.048 0.144 0.000 1.185 704 H CB 2.026 31.811 29.762 0.038 0.000 1.882 704 H HN 0.737 nan 8.280 nan 0.000 0.543 705 G N 0.641 109.825 108.800 0.640 0.000 2.395 705 G HA2 0.244 4.203 3.960 -0.002 0.000 0.283 705 G HA3 0.244 4.203 3.960 -0.002 0.000 0.283 705 G C 1.091 176.250 174.900 0.431 0.000 1.178 705 G CA 0.104 45.505 45.100 0.502 0.000 0.837 705 G HN 0.733 nan 8.290 nan 0.000 0.518 706 T N -0.758 113.918 114.554 0.203 0.000 2.951 706 T HA 0.076 4.425 4.350 -0.002 0.000 0.268 706 T C 1.761 176.418 174.700 -0.072 0.000 1.073 706 T CA 1.277 63.310 62.100 -0.112 0.000 1.134 706 T CB 0.156 68.916 68.868 -0.180 0.000 0.884 706 T HN 0.668 nan 8.240 nan 0.000 0.479 707 A N 1.125 123.990 122.820 0.074 0.000 2.577 707 A HA 0.303 4.622 4.320 -0.002 0.000 0.280 707 A C 0.472 178.009 177.584 -0.079 0.000 1.331 707 A CA -0.479 51.556 52.037 -0.004 0.000 0.935 707 A CB -0.366 18.933 19.000 0.499 0.000 1.082 707 A HN 0.371 nan 8.150 nan 0.000 0.525 708 D N 1.654 122.051 120.400 -0.005 0.000 2.349 708 D HA -0.032 4.607 4.640 -0.002 0.000 0.266 708 D C 0.495 176.806 176.300 0.019 0.000 1.293 708 D CA 0.197 54.306 54.000 0.182 0.000 0.926 708 D CB 0.589 41.650 40.800 0.435 0.000 1.090 708 D HN 0.578 nan 8.370 nan 0.000 0.502 709 D N 2.256 122.730 120.400 0.123 0.000 2.355 709 D HA -0.141 4.498 4.640 -0.002 0.000 0.218 709 D C 0.878 177.221 176.300 0.072 0.000 1.004 709 D CA -0.017 54.014 54.000 0.052 0.000 0.880 709 D CB 0.442 41.254 40.800 0.020 0.000 0.911 709 D HN 0.227 nan 8.370 nan 0.000 0.528 710 N N 0.692 119.526 118.700 0.222 0.000 2.523 710 N HA -0.046 4.693 4.740 -0.002 0.000 0.209 710 N C -0.131 175.414 175.510 0.058 0.000 1.039 710 N CA 0.440 53.657 53.050 0.278 0.000 1.002 710 N CB 0.380 39.049 38.487 0.303 0.000 1.270 710 N HN -0.118 nan 8.380 nan 0.000 0.481 711 V N 2.960 122.952 119.914 0.129 0.000 2.334 711 V HA 0.233 4.352 4.120 -0.002 0.000 0.267 711 V C -0.479 175.734 176.094 0.199 0.000 1.040 711 V CA -0.453 61.928 62.300 0.135 0.000 0.866 711 V CB -0.185 31.766 31.823 0.214 0.000 1.019 711 V HN 0.297 nan 8.190 nan 0.000 0.468 712 H N 3.460 122.553 119.070 0.038 0.000 2.732 712 H HA 0.066 4.621 4.556 -0.002 0.000 0.351 712 H C 0.723 175.908 175.328 -0.239 0.000 1.090 712 H CA -0.284 55.679 56.048 -0.142 0.000 1.431 712 H CB 0.949 30.547 29.762 -0.274 0.000 1.447 712 H HN 0.653 nan 8.280 nan 0.000 0.582 713 F N 2.096 121.791 119.950 -0.425 0.000 2.192 713 F HA -0.294 4.232 4.527 -0.002 0.000 0.301 713 F C 2.582 178.121 175.800 -0.435 0.000 1.079 713 F CA 1.609 59.136 58.000 -0.789 0.000 1.303 713 F CB -0.135 38.591 39.000 -0.457 0.000 1.024 713 F HN 0.668 nan 8.300 nan 0.000 0.494 714 Q N 0.241 119.956 119.800 -0.143 0.000 2.182 714 Q HA -0.349 3.990 4.340 -0.002 0.000 0.213 714 Q C 2.067 177.871 176.000 -0.325 0.000 1.000 714 Q CA 2.559 58.219 55.803 -0.239 0.000 0.889 714 Q CB -0.372 28.179 28.738 -0.312 0.000 0.932 714 Q HN 0.606 nan 8.270 nan 0.000 0.415 715 Q N -0.515 119.140 119.800 -0.242 0.000 2.084 715 Q HA -0.105 4.234 4.340 -0.002 0.000 0.202 715 Q C 2.239 178.173 176.000 -0.110 0.000 0.978 715 Q CA 1.675 57.440 55.803 -0.063 0.000 0.844 715 Q CB -0.027 28.750 28.738 0.065 0.000 0.898 715 Q HN 0.347 nan 8.270 nan 0.000 0.426 716 S N 0.877 116.429 115.700 -0.247 0.000 2.414 716 S HA 0.008 4.477 4.470 -0.002 0.000 0.227 716 S C 2.097 176.466 174.600 -0.386 0.000 1.022 716 S CA 0.663 58.691 58.200 -0.286 0.000 0.958 716 S CB -0.102 62.926 63.200 -0.287 0.000 0.797 716 S HN 0.461 nan 8.310 nan 0.000 0.493 717 A N 1.627 124.120 122.820 -0.545 0.000 1.948 717 A HA -0.178 4.141 4.320 -0.002 0.000 0.220 717 A C 2.124 179.624 177.584 -0.140 0.000 1.177 717 A CA 1.316 53.184 52.037 -0.281 0.000 0.636 717 A CB -0.448 18.470 19.000 -0.137 0.000 0.815 717 A HN 0.381 nan 8.150 nan 0.000 0.449 718 Q N -0.749 118.975 119.800 -0.127 0.000 2.245 718 Q HA 0.061 4.400 4.340 -0.002 0.000 0.201 718 Q C 2.116 178.071 176.000 -0.074 0.000 0.955 718 Q CA 0.765 56.541 55.803 -0.046 0.000 0.870 718 Q CB -0.220 28.559 28.738 0.069 0.000 0.945 718 Q HN 0.785 nan 8.270 nan 0.000 0.461 719 I N 1.167 121.665 120.570 -0.120 0.000 2.179 719 I HA -0.274 3.895 4.170 -0.002 0.000 0.242 719 I C 2.494 178.445 176.117 -0.277 0.000 1.088 719 I CA 1.539 62.721 61.300 -0.196 0.000 1.357 719 I CB -0.370 37.516 38.000 -0.190 0.000 1.051 719 I HN 0.177 nan 8.210 nan 0.000 0.409 720 S N 0.698 116.261 115.700 -0.227 0.000 2.383 720 S HA -0.243 4.226 4.470 -0.002 0.000 0.227 720 S C 1.997 176.561 174.600 -0.060 0.000 1.026 720 S CA 1.234 59.312 58.200 -0.204 0.000 0.981 720 S CB -0.384 62.872 63.200 0.095 0.000 0.818 720 S HN 0.364 nan 8.310 nan 0.000 0.472 721 K N 1.803 122.177 120.400 -0.043 0.000 2.057 721 K HA 0.040 4.359 4.320 -0.002 0.000 0.207 721 K C 2.257 178.838 176.600 -0.032 0.000 1.049 721 K CA 1.179 57.460 56.287 -0.009 0.000 0.931 721 K CB -0.671 31.822 32.500 -0.011 0.000 0.714 721 K HN 0.435 nan 8.250 nan 0.000 0.440 722 A N 0.936 123.706 122.820 -0.084 0.000 1.930 722 A HA -0.081 4.238 4.320 -0.002 0.000 0.217 722 A C 2.087 179.606 177.584 -0.108 0.000 1.175 722 A CA 1.166 53.148 52.037 -0.091 0.000 0.627 722 A CB -0.527 18.401 19.000 -0.120 0.000 0.815 722 A HN 0.319 nan 8.150 nan 0.000 0.443 723 L N -0.642 120.466 121.223 -0.191 0.000 2.056 723 L HA -0.146 4.193 4.340 -0.002 0.000 0.207 723 L C 2.554 179.447 176.870 0.038 0.000 1.078 723 L CA 0.989 55.724 54.840 -0.174 0.000 0.749 723 L CB -0.582 41.191 42.059 -0.476 0.000 0.901 723 L HN 0.244 nan 8.230 nan 0.000 0.433 724 V N -0.002 119.976 119.914 0.108 0.000 2.255 724 V HA -0.334 3.785 4.120 -0.002 0.000 0.247 724 V C 2.031 178.166 176.094 0.070 0.000 1.051 724 V CA 2.118 64.499 62.300 0.135 0.000 1.018 724 V CB -0.565 31.334 31.823 0.127 0.000 0.641 724 V HN 0.450 nan 8.190 nan 0.000 0.445 725 D N -0.446 119.976 120.400 0.037 0.000 2.265 725 D HA -0.108 4.531 4.640 -0.002 0.000 0.208 725 D C 1.780 178.095 176.300 0.025 0.000 0.977 725 D CA 0.933 54.948 54.000 0.025 0.000 0.871 725 D CB -0.044 40.762 40.800 0.011 0.000 0.925 725 D HN 0.361 nan 8.370 nan 0.000 0.485 726 V N -0.730 119.199 119.914 0.026 0.000 3.650 726 V HA 0.200 4.319 4.120 -0.002 0.000 0.271 726 V C 1.436 177.560 176.094 0.050 0.000 1.281 726 V CA 0.770 63.088 62.300 0.030 0.000 1.120 726 V CB 0.307 32.140 31.823 0.017 0.000 0.856 726 V HN 0.351 nan 8.190 nan 0.000 0.443 727 G N 0.724 109.564 108.800 0.066 0.000 2.149 727 G HA2 -0.194 3.765 3.960 -0.002 0.000 0.235 727 G HA3 -0.194 3.765 3.960 -0.002 0.000 0.235 727 G C 0.007 174.969 174.900 0.104 0.000 1.018 727 G CA 0.191 45.337 45.100 0.077 0.000 0.728 727 G HN 0.392 nan 8.290 nan 0.000 0.508 728 V N 0.772 120.770 119.914 0.140 0.000 2.370 728 V HA 0.480 4.599 4.120 -0.002 0.000 0.279 728 V C 0.314 176.593 176.094 0.309 0.000 1.029 728 V CA -0.638 61.777 62.300 0.191 0.000 0.870 728 V CB 1.710 33.635 31.823 0.170 0.000 0.984 728 V HN 0.397 nan 8.190 nan 0.000 0.451 729 D N 4.354 124.903 120.400 0.249 0.000 2.302 729 D HA 0.563 5.202 4.640 -0.002 0.000 0.248 729 D C -0.600 175.923 176.300 0.372 0.000 1.094 729 D CA 0.221 54.352 54.000 0.217 0.000 0.897 729 D CB 0.799 41.661 40.800 0.103 0.000 1.200 729 D HN 0.342 nan 8.370 nan 0.000 0.429 730 F N -0.624 119.403 119.950 0.130 0.000 2.741 730 F HA 0.460 4.986 4.527 -0.002 0.000 0.313 730 F C -1.201 174.657 175.800 0.097 0.000 1.153 730 F CA -1.111 56.991 58.000 0.169 0.000 0.931 730 F CB 0.752 39.893 39.000 0.235 0.000 1.335 730 F HN 0.179 nan 8.300 nan 0.000 0.460 731 Q N 1.165 121.051 119.800 0.143 0.000 2.266 731 Q HA 0.856 5.195 4.340 -0.002 0.000 0.261 731 Q C -1.010 175.000 176.000 0.017 0.000 0.985 731 Q CA -1.174 54.621 55.803 -0.013 0.000 0.873 731 Q CB 2.286 31.052 28.738 0.046 0.000 1.306 731 Q HN 0.982 nan 8.270 nan 0.000 0.447 732 A N 1.805 124.608 122.820 -0.028 0.000 2.566 732 A HA 0.884 5.203 4.320 -0.002 0.000 0.292 732 A C -1.553 175.996 177.584 -0.058 0.000 1.112 732 A CA -0.623 51.426 52.037 0.021 0.000 0.707 732 A CB 1.960 21.044 19.000 0.140 0.000 1.302 732 A HN 0.664 nan 8.150 nan 0.000 0.409 733 M N 1.063 120.622 119.600 -0.068 0.000 2.296 733 M HA 0.537 5.016 4.480 -0.002 0.000 0.268 733 M C -1.914 174.318 176.300 -0.115 0.000 1.048 733 M CA -0.249 54.886 55.300 -0.276 0.000 0.966 733 M CB 0.947 33.275 32.600 -0.453 0.000 1.912 733 M HN 1.015 nan 8.290 nan 0.000 0.484 734 W N 4.154 125.356 121.300 -0.163 0.000 2.375 734 W HA 0.762 5.421 4.660 -0.002 0.000 0.336 734 W C -1.949 174.377 176.519 -0.323 0.000 1.160 734 W CA -0.662 56.664 57.345 -0.032 0.000 1.266 734 W CB 0.288 29.755 29.460 0.013 0.000 1.195 734 W HN 0.610 nan 8.180 nan 0.000 0.599 735 Y N 2.253 122.684 120.300 0.219 0.000 2.338 735 Y HA 0.288 4.836 4.550 -0.002 0.000 0.328 735 Y C 0.710 176.733 175.900 0.205 0.000 0.965 735 Y CA -1.085 57.060 58.100 0.075 0.000 1.208 735 Y CB 1.688 40.164 38.460 0.027 0.000 1.132 735 Y HN 0.636 nan 8.280 nan 0.000 0.469 736 T N 1.645 116.380 114.554 0.301 0.000 2.870 736 T HA 0.144 4.493 4.350 -0.002 0.000 0.300 736 T C 0.385 175.177 174.700 0.153 0.000 0.989 736 T CA 0.187 62.418 62.100 0.219 0.000 1.139 736 T CB 0.182 69.109 68.868 0.098 0.000 0.920 736 T HN 0.795 nan 8.240 nan 0.000 0.537 737 D N 1.044 121.532 120.400 0.146 0.000 3.046 737 D HA -0.112 4.527 4.640 -0.002 0.000 0.210 737 D C -0.121 176.357 176.300 0.296 0.000 1.124 737 D CA 1.126 55.196 54.000 0.117 0.000 0.986 737 D CB -0.666 40.000 40.800 -0.223 0.000 1.118 737 D HN 0.709 nan 8.370 nan 0.000 0.416 738 E N 1.132 121.499 120.200 0.278 0.000 2.301 738 E HA 0.282 4.631 4.350 -0.002 0.000 0.275 738 E C 0.804 177.592 176.600 0.313 0.000 1.030 738 E CA -0.245 56.325 56.400 0.284 0.000 0.852 738 E CB 1.155 31.005 29.700 0.249 0.000 1.060 738 E HN 0.352 nan 8.360 nan 0.000 0.401 739 D N 0.280 120.873 120.400 0.322 0.000 2.475 739 D HA -0.032 4.606 4.640 -0.002 0.000 0.286 739 D C 1.131 177.659 176.300 0.379 0.000 1.205 739 D CA -0.136 54.076 54.000 0.354 0.000 1.092 739 D CB -0.177 40.854 40.800 0.386 0.000 1.147 739 D HN 0.474 nan 8.370 nan 0.000 0.575 740 H N -1.545 117.726 119.070 0.334 0.000 2.421 740 H HA 0.105 4.660 4.556 -0.002 0.000 0.298 740 H C 1.898 177.509 175.328 0.470 0.000 1.087 740 H CA 2.200 58.476 56.048 0.379 0.000 1.330 740 H CB -0.383 29.583 29.762 0.340 0.000 1.388 740 H HN 0.468 nan 8.280 nan 0.000 0.526 741 G N -0.275 108.697 108.800 0.287 0.000 2.880 741 G HA2 0.033 3.992 3.960 -0.002 0.000 0.209 741 G HA3 0.033 3.992 3.960 -0.002 0.000 0.209 741 G C 0.512 175.590 174.900 0.298 0.000 1.157 741 G CA 0.217 45.415 45.100 0.163 0.000 0.779 741 G HN 0.519 nan 8.290 nan 0.000 0.539 742 I N -0.001 120.761 120.570 0.320 0.000 5.071 742 I HA -0.333 3.836 4.170 -0.002 0.000 0.126 742 I C 1.435 177.679 176.117 0.211 0.000 1.290 742 I CA 0.243 61.681 61.300 0.230 0.000 2.644 742 I CB -0.945 37.148 38.000 0.156 0.000 2.208 742 I HN 0.268 nan 8.210 nan 0.000 0.322 743 A N 1.786 124.706 122.820 0.165 0.000 2.508 743 A HA 0.267 4.586 4.320 -0.002 0.000 0.250 743 A C 1.063 178.693 177.584 0.077 0.000 1.208 743 A CA 0.555 52.656 52.037 0.106 0.000 0.960 743 A CB 0.309 19.337 19.000 0.046 0.000 1.099 743 A HN 0.649 nan 8.150 nan 0.000 0.542 744 S N 1.016 116.780 115.700 0.105 0.000 2.558 744 S HA 0.120 4.589 4.470 -0.002 0.000 0.288 744 S C 1.248 175.906 174.600 0.096 0.000 1.318 744 S CA 0.405 58.660 58.200 0.092 0.000 1.056 744 S CB 0.729 63.993 63.200 0.106 0.000 0.853 744 S HN 0.811 nan 8.310 nan 0.000 0.505 745 S N 2.468 118.211 115.700 0.071 0.000 2.399 745 S HA -0.157 4.312 4.470 -0.002 0.000 0.231 745 S C 1.965 176.630 174.600 0.108 0.000 1.022 745 S CA 1.219 59.468 58.200 0.082 0.000 0.983 745 S CB -1.602 61.620 63.200 0.037 0.000 0.803 745 S HN 1.042 nan 8.310 nan 0.000 0.480 746 T N 0.665 115.272 114.554 0.087 0.000 2.777 746 T HA 0.187 4.535 4.350 -0.002 0.000 0.266 746 T C 2.017 176.782 174.700 0.108 0.000 1.040 746 T CA 0.918 63.071 62.100 0.088 0.000 1.141 746 T CB -0.772 68.136 68.868 0.068 0.000 0.868 746 T HN 0.499 nan 8.240 nan 0.000 0.444 747 A N 1.371 124.245 122.820 0.089 0.000 1.930 747 A HA -0.049 4.270 4.320 -0.002 0.000 0.217 747 A C 2.202 179.779 177.584 -0.011 0.000 1.175 747 A CA 1.880 53.925 52.037 0.014 0.000 0.627 747 A CB -1.147 17.832 19.000 -0.034 0.000 0.815 747 A HN 0.755 nan 8.150 nan 0.000 0.443 748 H N -0.240 118.834 119.070 0.006 0.000 2.353 748 H HA -0.095 4.460 4.556 -0.002 0.000 0.300 748 H C 2.089 177.494 175.328 0.129 0.000 1.090 748 H CA 2.210 58.309 56.048 0.084 0.000 1.327 748 H CB -0.196 29.615 29.762 0.081 0.000 1.383 748 H HN 0.559 nan 8.280 nan 0.000 0.508 749 Q N -1.153 118.664 119.800 0.029 0.000 2.084 749 Q HA -0.204 4.135 4.340 -0.002 0.000 0.202 749 Q C 2.139 178.130 176.000 -0.016 0.000 0.978 749 Q CA 1.729 57.510 55.803 -0.037 0.000 0.844 749 Q CB -0.176 28.576 28.738 0.023 0.000 0.898 749 Q HN 0.658 nan 8.270 nan 0.000 0.426 750 H N 0.369 119.417 119.070 -0.036 0.000 2.326 750 H HA -0.063 4.491 4.556 -0.002 0.000 0.301 750 H C 1.902 177.219 175.328 -0.019 0.000 1.081 750 H CA 1.609 57.662 56.048 0.009 0.000 1.334 750 H CB -0.001 29.828 29.762 0.110 0.000 1.385 750 H HN 0.244 nan 8.280 nan 0.000 0.504 751 I N -0.509 120.032 120.570 -0.049 0.000 2.252 751 I HA -0.306 3.863 4.170 -0.002 0.000 0.245 751 I C 1.282 177.173 176.117 -0.378 0.000 1.102 751 I CA 1.339 62.517 61.300 -0.205 0.000 1.385 751 I CB -0.135 37.535 38.000 -0.550 0.000 1.064 751 I HN 0.307 nan 8.210 nan 0.000 0.414 752 Y N 0.984 121.058 120.300 -0.378 0.000 2.314 752 Y HA -0.170 4.379 4.550 -0.002 0.000 0.293 752 Y C 2.693 178.362 175.900 -0.385 0.000 1.129 752 Y CA 1.774 59.543 58.100 -0.551 0.000 1.201 752 Y CB -0.716 37.417 38.460 -0.544 0.000 0.999 752 Y HN 0.151 nan 8.280 nan 0.000 0.541 753 T N -1.724 112.722 114.554 -0.180 0.000 2.821 753 T HA -0.214 4.135 4.350 -0.002 0.000 0.267 753 T C 1.534 176.019 174.700 -0.358 0.000 1.046 753 T CA 1.806 63.730 62.100 -0.293 0.000 1.139 753 T CB -0.388 68.312 68.868 -0.279 0.000 0.871 753 T HN 0.395 nan 8.240 nan 0.000 0.454 754 H N 1.023 119.892 119.070 -0.335 0.000 2.357 754 H HA 0.144 4.699 4.556 -0.002 0.000 0.301 754 H C 2.132 177.394 175.328 -0.111 0.000 1.082 754 H CA 1.443 57.370 56.048 -0.202 0.000 1.342 754 H CB -0.239 29.430 29.762 -0.155 0.000 1.389 754 H HN 0.253 nan 8.280 nan 0.000 0.511 755 M N -0.883 118.608 119.600 -0.181 0.000 2.229 755 M HA -0.132 4.346 4.480 -0.002 0.000 0.264 755 M C 2.365 178.745 176.300 0.134 0.000 1.063 755 M CA 1.291 56.493 55.300 -0.163 0.000 1.114 755 M CB 0.009 32.272 32.600 -0.562 0.000 1.387 755 M HN 0.182 nan 8.290 nan 0.000 0.420 756 S N -0.467 115.328 115.700 0.159 0.000 2.356 756 S HA -0.153 4.316 4.470 -0.002 0.000 0.223 756 S C 1.710 176.431 174.600 0.201 0.000 1.032 756 S CA 1.107 59.510 58.200 0.338 0.000 1.005 756 S CB -0.554 62.810 63.200 0.274 0.000 0.867 756 S HN 0.455 nan 8.310 nan 0.000 0.449 757 H N 0.226 119.351 119.070 0.092 0.000 2.319 757 H HA -0.067 4.488 4.556 -0.002 0.000 0.299 757 H C 1.906 177.237 175.328 0.005 0.000 1.092 757 H CA 1.336 57.398 56.048 0.023 0.000 1.302 757 H CB -0.904 28.833 29.762 -0.042 0.000 1.373 757 H HN 0.480 nan 8.280 nan 0.000 0.497 758 F N 1.025 120.949 119.950 -0.044 0.000 2.102 758 F HA -0.176 4.350 4.527 -0.002 0.000 0.298 758 F C 2.214 177.961 175.800 -0.089 0.000 1.105 758 F CA 0.976 58.917 58.000 -0.099 0.000 1.239 758 F CB -0.190 38.713 39.000 -0.162 0.000 0.991 758 F HN -0.032 nan 8.300 nan 0.000 0.474 759 I N 0.733 121.305 120.570 0.004 0.000 2.315 759 I HA -0.252 3.917 4.170 -0.002 0.000 0.248 759 I C 2.233 178.155 176.117 -0.325 0.000 1.117 759 I CA 1.450 62.597 61.300 -0.256 0.000 1.404 759 I CB -1.287 36.676 38.000 -0.061 0.000 1.071 759 I HN 0.238 nan 8.210 nan 0.000 0.419 760 K N 0.594 120.956 120.400 -0.064 0.000 2.148 760 K HA -0.210 4.108 4.320 -0.002 0.000 0.204 760 K C 2.060 178.649 176.600 -0.018 0.000 1.050 760 K CA 1.390 57.690 56.287 0.022 0.000 0.942 760 K CB -0.012 32.560 32.500 0.119 0.000 0.724 760 K HN 0.457 nan 8.250 nan 0.000 0.446 761 Q N 0.331 120.074 119.800 -0.095 0.000 2.137 761 Q HA -0.117 4.222 4.340 -0.002 0.000 0.198 761 Q C 2.177 178.085 176.000 -0.154 0.000 0.960 761 Q CA 1.486 57.225 55.803 -0.107 0.000 0.847 761 Q CB -1.018 27.647 28.738 -0.121 0.000 0.915 761 Q HN 0.263 nan 8.270 nan 0.000 0.448 762 c N -0.293 118.106 118.600 -0.335 0.000 2.419 762 c HA 0.027 4.596 4.570 -0.002 0.000 0.281 762 c C 1.363 175.459 174.090 0.010 0.000 1.336 762 c CA 0.385 56.523 56.329 -0.318 0.000 1.770 762 c CB -1.115 41.015 42.510 -0.634 0.000 1.929 762 c HN 0.596 nan 8.230 nan 0.000 0.509 763 F N 1.225 121.136 119.950 -0.065 0.000 2.695 763 F HA 0.274 4.800 4.527 -0.002 0.000 0.303 763 F C 1.602 177.389 175.800 -0.022 0.000 1.091 763 F CA 0.274 58.258 58.000 -0.026 0.000 1.300 763 F CB -1.030 37.966 39.000 -0.008 0.000 1.071 763 F HN 0.190 nan 8.300 nan 0.000 0.578 764 S N 0.963 116.746 115.700 0.138 0.000 3.749 764 S HA -0.202 4.267 4.470 -0.002 0.000 0.348 764 S C 0.006 174.651 174.600 0.075 0.000 1.045 764 S CA 0.076 58.320 58.200 0.073 0.000 1.051 764 S CB -2.194 61.039 63.200 0.055 0.000 0.898 764 S HN 0.253 nan 8.310 nan 0.000 0.472 765 L N 1.323 122.604 121.223 0.096 0.000 2.315 765 L HA 0.333 4.672 4.340 -0.002 0.000 0.278 765 L C -1.485 175.426 176.870 0.067 0.000 1.088 765 L CA -1.719 53.172 54.840 0.086 0.000 0.899 765 L CB 0.092 42.222 42.059 0.118 0.000 1.277 765 L HN 0.084 nan 8.230 nan 0.000 0.431 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.124 63.100 0.041 0.000 0.800 766 P CB 0.000 31.716 31.700 0.027 0.000 0.726