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 2qoe_1_B DATA FIRST_RESID 39 DATA SEQUENCE TRKTYTLTDY LKNTYRLKLY SLRWISDHEY LYKQENNILV FNAEYGNSSV DATA SEQUENCE FLENSTFDEF GHSINDYSIS PDGQFILLEY NYVKQWRHSY TASYDIYDLN DATA SEQUENCE KRQLITEERI PNNTQWVTWS PVGHKLAYVW NNDIYVKIEP NLPSYRITWT DATA SEQUENCE GKEDIIYNGI TDWVYEEEVF SAYSALWWSP NGTFLAYAQF NDTEVPLIEY DATA SEQUENCE SFYSDESLQY PKTVRVPYPK AGAVNPTVKF FVVNTDSLSS VTNATSIQIT DATA SEQUENCE APASMLIGDH YLCDVTWATQ ERISLQWLRR IQNYSVMDIc DYDESSGRWN DATA SEQUENCE cLVARQHIEM STTGWVGRFR PSEPHFTLDG NSFYKIISNE EGYRHIcYFQ DATA SEQUENCE IDKKDcTFIT KGTWEVIGIE ALTSDYLYYI SNEYKGMPGG RNLYKIQLSD DATA SEQUENCE YTKVTCLSCE LNPERcQYYS VSFSKEAKYY QLRcSGPGLP LYTLHSSVND DATA SEQUENCE KGLRVLEDNS ALDKMLQNVQ MPSKKLDFII LNETKFWYQM ILPPHFDKSK DATA SEQUENCE KYPLLLDVYA GPCSQKADTV FRLNWATYLA STENIIVASF DGRGSGYQGD DATA SEQUENCE KIMHAINRRL GTFEVEDQIE AARQFSKMGF VDNKRIAIWG WSYGGYVTSM DATA SEQUENCE VLGSGSGVFK cGIAVAPVSR WEYYDSVYTE RYMGLPTPED NLDHYRNSTV DATA SEQUENCE MSRAENFKQV EYLLIHGTAD DNVHFQQSAQ ISKALVDVGV DFQAMWYTDE DATA SEQUENCE DHGIASSTAH QHIYTHMSHF IKQcFSLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 39 T HA 0.000 nan 4.350 nan 0.000 0.228 39 T C 0.000 174.739 174.700 0.065 0.000 1.109 39 T CA 0.000 62.130 62.100 0.050 0.000 1.349 39 T CB 0.000 68.895 68.868 0.045 0.000 0.612 40 R N 2.348 122.894 120.500 0.077 0.000 2.698 40 R HA 0.199 4.536 4.340 -0.004 0.000 0.266 40 R C 1.010 177.365 176.300 0.093 0.000 1.026 40 R CA -0.320 55.830 56.100 0.083 0.000 1.102 40 R CB 0.662 31.012 30.300 0.084 0.000 0.978 40 R HN 0.628 nan 8.270 nan 0.000 0.436 41 K N 0.585 121.044 120.400 0.098 0.000 2.276 41 K HA 0.065 4.382 4.320 -0.004 0.000 0.259 41 K C 0.083 176.756 176.600 0.123 0.000 1.001 41 K CA -0.330 56.024 56.287 0.111 0.000 0.927 41 K CB 0.472 33.046 32.500 0.124 0.000 0.969 41 K HN 0.646 nan 8.250 nan 0.000 0.490 42 T N -1.538 113.097 114.554 0.136 0.000 2.881 42 T HA 0.131 4.479 4.350 -0.004 0.000 0.278 42 T C -0.563 174.270 174.700 0.220 0.000 0.982 42 T CA -0.775 61.421 62.100 0.159 0.000 0.989 42 T CB 0.499 69.459 68.868 0.154 0.000 1.058 42 T HN 0.546 nan 8.240 nan 0.000 0.529 43 Y N 2.257 122.626 120.300 0.115 0.000 2.486 43 Y HA 0.397 4.945 4.550 -0.004 0.000 0.348 43 Y C 0.870 176.923 175.900 0.255 0.000 1.000 43 Y CA -0.290 57.915 58.100 0.174 0.000 1.253 43 Y CB 0.089 38.610 38.460 0.102 0.000 1.140 43 Y HN 1.044 nan 8.280 nan 0.000 0.526 44 T N 2.394 116.928 114.554 -0.033 0.000 2.923 44 T HA 0.177 4.525 4.350 -0.004 0.000 0.281 44 T C 0.822 175.404 174.700 -0.197 0.000 0.995 44 T CA -0.766 61.358 62.100 0.041 0.000 0.985 44 T CB 1.276 70.139 68.868 -0.008 0.000 1.114 44 T HN 0.676 nan 8.240 nan 0.000 0.548 45 L N 0.854 121.765 121.223 -0.520 0.000 2.046 45 L HA 0.032 4.370 4.340 -0.004 0.000 0.208 45 L C 2.667 179.395 176.870 -0.238 0.000 1.077 45 L CA 2.186 56.648 54.840 -0.630 0.000 0.747 45 L CB -1.435 40.112 42.059 -0.854 0.000 0.896 45 L HN 0.967 nan 8.230 nan 0.000 0.432 46 T N -0.596 113.837 114.554 -0.202 0.000 2.720 46 T HA -0.186 4.161 4.350 -0.004 0.000 0.268 46 T C 1.510 176.115 174.700 -0.158 0.000 1.037 46 T CA 1.492 63.506 62.100 -0.143 0.000 1.144 46 T CB -0.463 68.342 68.868 -0.106 0.000 0.864 46 T HN 0.383 nan 8.240 nan 0.000 0.444 47 D N 0.173 120.441 120.400 -0.219 0.000 2.116 47 D HA -0.119 4.519 4.640 -0.004 0.000 0.193 47 D C 1.762 177.945 176.300 -0.195 0.000 0.998 47 D CA 1.204 55.029 54.000 -0.291 0.000 0.836 47 D CB -0.469 40.026 40.800 -0.508 0.000 0.951 47 D HN 0.439 nan 8.370 nan 0.000 0.449 48 Y N 1.336 121.450 120.300 -0.311 0.000 2.114 48 Y HA -0.109 4.439 4.550 -0.004 0.000 0.284 48 Y C 2.210 178.122 175.900 0.020 0.000 1.143 48 Y CA 1.270 59.371 58.100 0.001 0.000 1.135 48 Y CB -0.604 37.935 38.460 0.132 0.000 0.980 48 Y HN -0.083 nan 8.280 nan 0.000 0.499 49 L N -0.073 120.995 121.223 -0.258 0.000 2.217 49 L HA -0.133 4.205 4.340 -0.004 0.000 0.211 49 L C 1.854 178.623 176.870 -0.170 0.000 1.107 49 L CA 1.079 55.742 54.840 -0.295 0.000 0.783 49 L CB -0.384 41.568 42.059 -0.177 0.000 0.919 49 L HN 0.051 nan 8.230 nan 0.000 0.442 50 K N -0.224 120.097 120.400 -0.133 0.000 2.374 50 K HA 0.119 4.437 4.320 -0.004 0.000 0.196 50 K C 0.115 176.661 176.600 -0.090 0.000 1.023 50 K CA -0.045 56.181 56.287 -0.101 0.000 1.103 50 K CB -0.096 32.346 32.500 -0.097 0.000 0.848 50 K HN 0.220 nan 8.250 nan 0.000 0.528 51 N N 1.413 120.069 118.700 -0.075 0.000 2.738 51 N HA -0.172 4.565 4.740 -0.004 0.000 0.249 51 N C 0.884 176.371 175.510 -0.037 0.000 1.047 51 N CA 1.210 54.253 53.050 -0.011 0.000 0.707 51 N CB -1.846 36.631 38.487 -0.017 0.000 0.937 51 N HN 0.459 nan 8.380 nan 0.000 0.545 52 T N -3.745 110.733 114.554 -0.127 0.000 2.867 52 T HA -0.151 4.196 4.350 -0.004 0.000 0.268 52 T C 0.559 175.050 174.700 -0.348 0.000 1.057 52 T CA 1.004 62.923 62.100 -0.300 0.000 1.136 52 T CB -0.136 68.438 68.868 -0.490 0.000 0.874 52 T HN 0.319 nan 8.240 nan 0.000 0.466 53 Y N 1.681 122.065 120.300 0.139 0.000 2.491 53 Y HA 0.597 5.144 4.550 -0.004 0.000 0.334 53 Y C 0.461 176.469 175.900 0.179 0.000 0.969 53 Y CA -1.388 56.823 58.100 0.185 0.000 1.241 53 Y CB 0.655 39.289 38.460 0.291 0.000 1.105 53 Y HN 0.012 nan 8.280 nan 0.000 0.503 54 R N 3.219 123.862 120.500 0.239 0.000 2.294 54 R HA 0.489 4.826 4.340 -0.004 0.000 0.319 54 R C -0.889 175.515 176.300 0.173 0.000 0.984 54 R CA -0.669 55.534 56.100 0.171 0.000 0.861 54 R CB 0.784 31.142 30.300 0.097 0.000 1.104 54 R HN 0.665 nan 8.270 nan 0.000 0.451 55 L N 4.724 126.054 121.223 0.178 0.000 2.418 55 L HA 0.138 4.476 4.340 -0.004 0.000 0.274 55 L C 0.413 177.356 176.870 0.122 0.000 1.135 55 L CA 0.391 55.331 54.840 0.167 0.000 0.870 55 L CB 0.435 42.612 42.059 0.196 0.000 1.154 55 L HN 0.416 nan 8.230 nan 0.000 0.462 56 K N 3.356 123.822 120.400 0.109 0.000 2.218 56 K HA 0.478 4.795 4.320 -0.004 0.000 0.276 56 K C -0.665 175.957 176.600 0.036 0.000 1.022 56 K CA -0.728 55.598 56.287 0.065 0.000 0.946 56 K CB 1.293 33.829 32.500 0.059 0.000 1.000 56 K HN 0.236 nan 8.250 nan 0.000 0.468 57 L N 1.571 122.748 121.223 -0.078 0.000 2.299 57 L HA 0.398 4.736 4.340 -0.004 0.000 0.268 57 L C -0.868 175.715 176.870 -0.479 0.000 1.012 57 L CA -0.551 54.110 54.840 -0.298 0.000 0.816 57 L CB 0.399 42.394 42.059 -0.107 0.000 1.355 57 L HN 0.488 nan 8.230 nan 0.000 0.457 58 Y N -0.036 119.725 120.300 -0.899 0.000 2.544 58 Y HA 0.404 4.952 4.550 -0.004 0.000 0.347 58 Y C -0.634 175.109 175.900 -0.261 0.000 1.089 58 Y CA -0.476 57.319 58.100 -0.508 0.000 1.230 58 Y CB 0.986 39.033 38.460 -0.688 0.000 1.101 58 Y HN 0.461 nan 8.280 nan 0.000 0.641 59 S N 5.725 121.353 115.700 -0.119 0.000 2.400 59 S HA 0.457 4.924 4.470 -0.004 0.000 0.295 59 S C -0.527 174.047 174.600 -0.043 0.000 1.113 59 S CA -0.491 57.677 58.200 -0.052 0.000 1.064 59 S CB -0.376 62.795 63.200 -0.047 0.000 0.990 59 S HN 0.546 nan 8.310 nan 0.000 0.502 60 L N 1.766 122.928 121.223 -0.101 0.000 2.313 60 L HA 0.779 5.116 4.340 -0.004 0.000 0.268 60 L C -0.183 176.590 176.870 -0.161 0.000 1.010 60 L CA -0.871 53.864 54.840 -0.175 0.000 0.814 60 L CB 0.765 42.430 42.059 -0.658 0.000 1.304 60 L HN 0.312 nan 8.230 nan 0.000 0.441 61 R N 0.847 121.288 120.500 -0.097 0.000 2.435 61 R HA 0.357 4.694 4.340 -0.004 0.000 0.308 61 R C -1.719 174.590 176.300 0.014 0.000 0.975 61 R CA -0.308 55.781 56.100 -0.018 0.000 0.867 61 R CB 1.135 31.460 30.300 0.043 0.000 1.171 61 R HN 0.672 nan 8.270 nan 0.000 0.470 62 W N 4.294 125.681 121.300 0.144 0.000 2.308 62 W HA 0.114 4.772 4.660 -0.004 0.000 0.324 62 W C 1.519 178.101 176.519 0.105 0.000 1.387 62 W CA -0.378 57.059 57.345 0.155 0.000 1.250 62 W CB 0.455 30.010 29.460 0.158 0.000 1.257 62 W HN 0.666 nan 8.180 nan 0.000 0.554 63 I N 0.381 121.141 120.570 0.317 0.000 4.139 63 I HA 0.314 4.482 4.170 -0.004 0.000 0.335 63 I C 0.692 176.903 176.117 0.156 0.000 1.327 63 I CA -0.059 61.336 61.300 0.157 0.000 1.112 63 I CB -0.062 37.945 38.000 0.012 0.000 1.058 63 I HN 0.249 nan 8.210 nan 0.000 0.396 64 S N 0.435 116.272 115.700 0.229 0.000 2.815 64 S HA 0.201 4.669 4.470 -0.004 0.000 0.296 64 S C -0.050 174.687 174.600 0.228 0.000 1.224 64 S CA 0.073 58.385 58.200 0.187 0.000 0.938 64 S CB 0.594 63.869 63.200 0.125 0.000 1.285 64 S HN 0.254 nan 8.310 nan 0.000 0.549 65 D N 0.365 120.902 120.400 0.229 0.000 2.347 65 D HA -0.039 4.598 4.640 -0.004 0.000 0.215 65 D C 1.096 177.632 176.300 0.394 0.000 0.976 65 D CA 1.507 55.637 54.000 0.217 0.000 0.884 65 D CB -0.561 40.354 40.800 0.192 0.000 0.915 65 D HN 0.851 nan 8.370 nan 0.000 0.526 66 H N -1.824 117.437 119.070 0.319 0.000 3.367 66 H HA 0.417 4.970 4.556 -0.004 0.000 0.257 66 H C -0.614 174.885 175.328 0.286 0.000 1.201 66 H CA -0.408 55.834 56.048 0.323 0.000 1.102 66 H CB 0.214 30.153 29.762 0.294 0.000 1.656 66 H HN 0.011 nan 8.280 nan 0.000 0.662 67 E N 1.142 121.376 120.200 0.056 0.000 2.293 67 E HA 0.373 4.721 4.350 -0.004 0.000 0.270 67 E C -1.594 175.133 176.600 0.213 0.000 0.879 67 E CA -1.164 55.221 56.400 -0.026 0.000 0.756 67 E CB 2.895 32.434 29.700 -0.268 0.000 1.208 67 E HN 0.325 nan 8.360 nan 0.000 0.428 68 Y N 0.092 120.355 120.300 -0.062 0.000 2.545 68 Y HA 0.636 5.184 4.550 -0.004 0.000 0.348 68 Y C -1.483 174.372 175.900 -0.074 0.000 1.002 68 Y CA -1.308 56.664 58.100 -0.214 0.000 1.039 68 Y CB 0.846 38.846 38.460 -0.766 0.000 1.271 68 Y HN 0.300 nan 8.280 nan 0.000 0.467 69 L N 3.554 124.860 121.223 0.138 0.000 2.325 69 L HA 0.493 4.830 4.340 -0.004 0.000 0.279 69 L C -1.250 175.815 176.870 0.324 0.000 1.054 69 L CA -0.945 53.975 54.840 0.133 0.000 0.804 69 L CB 1.419 43.487 42.059 0.014 0.000 1.200 69 L HN 0.790 nan 8.230 nan 0.000 0.436 70 Y N 2.331 122.739 120.300 0.180 0.000 2.470 70 Y HA 0.334 4.882 4.550 -0.004 0.000 0.341 70 Y C -0.774 175.165 175.900 0.065 0.000 1.021 70 Y CA -1.213 56.934 58.100 0.079 0.000 1.025 70 Y CB 1.697 40.194 38.460 0.061 0.000 1.266 70 Y HN 0.425 nan 8.280 nan 0.000 0.448 71 K N 4.848 124.903 120.400 -0.576 0.000 2.267 71 K HA 0.270 4.588 4.320 -0.004 0.000 0.282 71 K C -1.036 175.169 176.600 -0.658 0.000 1.078 71 K CA -0.362 55.660 56.287 -0.441 0.000 0.903 71 K CB 0.672 33.017 32.500 -0.257 0.000 1.111 71 K HN 0.778 nan 8.250 nan 0.000 0.475 72 Q N 3.590 123.212 119.800 -0.297 0.000 2.327 72 Q HA 0.114 4.452 4.340 -0.004 0.000 0.270 72 Q C -1.109 174.843 176.000 -0.080 0.000 1.022 72 Q CA -0.241 55.473 55.803 -0.149 0.000 0.773 72 Q CB 1.034 29.825 28.738 0.088 0.000 1.251 72 Q HN 0.670 nan 8.270 nan 0.000 0.457 73 E N 3.251 123.404 120.200 -0.078 0.000 2.389 73 E HA -0.357 3.990 4.350 -0.004 0.000 0.243 73 E C -0.371 176.192 176.600 -0.063 0.000 1.154 73 E CA 0.809 57.177 56.400 -0.054 0.000 0.723 73 E CB -1.455 28.229 29.700 -0.027 0.000 1.261 73 E HN 1.061 nan 8.360 nan 0.000 0.390 74 N N -1.396 117.254 118.700 -0.083 0.000 2.857 74 N HA -0.223 4.515 4.740 -0.004 0.000 0.242 74 N C -0.512 174.948 175.510 -0.084 0.000 0.983 74 N CA 1.175 54.178 53.050 -0.078 0.000 0.934 74 N CB -0.474 37.979 38.487 -0.057 0.000 1.115 74 N HN 0.401 nan 8.380 nan 0.000 0.593 75 N N 0.893 119.544 118.700 -0.081 0.000 2.518 75 N HA 0.286 5.024 4.740 -0.004 0.000 0.283 75 N C -0.283 175.180 175.510 -0.080 0.000 1.119 75 N CA 0.060 53.064 53.050 -0.077 0.000 0.983 75 N CB 1.095 39.547 38.487 -0.057 0.000 1.139 75 N HN 0.142 nan 8.380 nan 0.000 0.465 76 I N 3.102 123.628 120.570 -0.073 0.000 2.312 76 I HA 0.203 4.371 4.170 -0.004 0.000 0.291 76 I C 0.143 176.283 176.117 0.038 0.000 1.031 76 I CA -0.337 60.938 61.300 -0.042 0.000 1.293 76 I CB 0.591 38.533 38.000 -0.097 0.000 1.403 76 I HN 0.224 nan 8.210 nan 0.000 0.484 77 L N 6.890 128.148 121.223 0.057 0.000 2.343 77 L HA 0.540 4.877 4.340 -0.004 0.000 0.275 77 L C -0.196 176.682 176.870 0.014 0.000 1.056 77 L CA -0.845 54.002 54.840 0.013 0.000 0.804 77 L CB 1.975 44.028 42.059 -0.010 0.000 1.203 77 L HN 0.313 nan 8.230 nan 0.000 0.440 78 V N 3.208 123.059 119.914 -0.104 0.000 2.398 78 V HA 0.465 4.582 4.120 -0.004 0.000 0.286 78 V C -0.867 175.020 176.094 -0.344 0.000 1.026 78 V CA -0.205 62.006 62.300 -0.149 0.000 0.868 78 V CB 1.311 33.090 31.823 -0.075 0.000 0.982 78 V HN 0.448 nan 8.190 nan 0.000 0.443 79 F N 5.472 125.140 119.950 -0.471 0.000 2.458 79 F HA 0.454 4.979 4.527 -0.004 0.000 0.336 79 F C 0.605 176.106 175.800 -0.498 0.000 1.114 79 F CA -0.483 57.162 58.000 -0.592 0.000 0.987 79 F CB 1.501 39.805 39.000 -1.159 0.000 1.130 79 F HN 0.485 nan 8.300 nan 0.000 0.458 80 N N 2.508 121.153 118.700 -0.091 0.000 2.420 80 N HA 0.127 4.864 4.740 -0.004 0.000 0.262 80 N C 0.656 176.147 175.510 -0.033 0.000 1.144 80 N CA 0.198 53.251 53.050 0.004 0.000 0.952 80 N CB 1.546 40.123 38.487 0.150 0.000 1.081 80 N HN 0.859 nan 8.380 nan 0.000 0.480 81 A N 4.185 126.942 122.820 -0.106 0.000 1.902 81 A HA -0.170 4.147 4.320 -0.004 0.000 0.217 81 A C 1.925 179.271 177.584 -0.396 0.000 1.181 81 A CA 1.401 53.292 52.037 -0.243 0.000 0.623 81 A CB -0.458 18.262 19.000 -0.467 0.000 0.818 81 A HN 0.874 nan 8.150 nan 0.000 0.443 82 E N -1.702 118.239 120.200 -0.433 0.000 2.077 82 E HA -0.208 4.139 4.350 -0.004 0.000 0.193 82 E C 1.358 177.616 176.600 -0.569 0.000 0.989 82 E CA 1.663 57.780 56.400 -0.470 0.000 0.800 82 E CB -0.127 29.206 29.700 -0.612 0.000 0.746 82 E HN 0.830 nan 8.360 nan 0.000 0.452 83 Y N -2.365 117.948 120.300 0.023 0.000 2.483 83 Y HA 0.306 4.853 4.550 -0.004 0.000 0.258 83 Y C 1.548 177.464 175.900 0.026 0.000 1.083 83 Y CA 0.084 58.200 58.100 0.025 0.000 1.283 83 Y CB 1.436 39.913 38.460 0.028 0.000 1.178 83 Y HN 0.191 nan 8.280 nan 0.000 0.515 84 G N 1.029 109.916 108.800 0.145 0.000 2.199 84 G HA2 -0.316 3.642 3.960 -0.004 0.000 0.254 84 G HA3 -0.316 3.642 3.960 -0.004 0.000 0.254 84 G C 0.005 175.037 174.900 0.219 0.000 0.982 84 G CA 0.148 45.349 45.100 0.167 0.000 0.632 84 G HN 0.433 nan 8.290 nan 0.000 0.529 85 N N 0.861 119.639 118.700 0.130 0.000 2.508 85 N HA 0.514 5.251 4.740 -0.004 0.000 0.264 85 N C 0.061 175.472 175.510 -0.164 0.000 1.216 85 N CA 0.772 53.829 53.050 0.012 0.000 0.943 85 N CB 1.445 39.938 38.487 0.010 0.000 1.113 85 N HN 0.918 nan 8.380 nan 0.000 0.447 86 S N -0.084 115.415 115.700 -0.334 0.000 2.632 86 S HA 0.750 5.218 4.470 -0.004 0.000 0.289 86 S C -0.788 173.611 174.600 -0.334 0.000 1.115 86 S CA -0.839 57.004 58.200 -0.596 0.000 0.889 86 S CB 1.550 63.944 63.200 -1.344 0.000 1.116 86 S HN 0.625 nan 8.310 nan 0.000 0.486 87 S N 0.086 115.611 115.700 -0.291 0.000 2.632 87 S HA 0.623 5.091 4.470 -0.004 0.000 0.289 87 S C -0.806 173.717 174.600 -0.128 0.000 1.115 87 S CA -0.790 57.314 58.200 -0.160 0.000 0.889 87 S CB 1.574 64.720 63.200 -0.090 0.000 1.116 87 S HN 0.732 nan 8.310 nan 0.000 0.486 88 V N 2.764 122.627 119.914 -0.086 0.000 2.470 88 V HA 0.163 4.281 4.120 -0.004 0.000 0.276 88 V C 0.490 176.580 176.094 -0.006 0.000 1.040 88 V CA 0.225 62.493 62.300 -0.053 0.000 1.008 88 V CB -0.061 31.718 31.823 -0.074 0.000 0.990 88 V HN 0.939 nan 8.190 nan 0.000 0.477 89 F N 4.932 124.815 119.950 -0.111 0.000 2.220 89 F HA 0.330 4.854 4.527 -0.004 0.000 0.290 89 F C 0.634 176.377 175.800 -0.096 0.000 1.080 89 F CA 0.848 58.793 58.000 -0.091 0.000 1.318 89 F CB 0.550 39.506 39.000 -0.073 0.000 1.063 89 F HN 0.360 nan 8.300 nan 0.000 0.498 90 L N 1.217 122.431 121.223 -0.015 0.000 2.491 90 L HA 0.257 4.595 4.340 -0.004 0.000 0.267 90 L C -0.538 176.250 176.870 -0.135 0.000 0.971 90 L CA -0.485 54.274 54.840 -0.134 0.000 0.857 90 L CB 1.182 43.196 42.059 -0.075 0.000 1.226 90 L HN -0.040 nan 8.230 nan 0.000 0.408 91 E N 1.517 121.613 120.200 -0.173 0.000 2.442 91 E HA -0.081 4.266 4.350 -0.004 0.000 0.262 91 E C 0.718 177.219 176.600 -0.164 0.000 1.004 91 E CA 0.320 56.628 56.400 -0.153 0.000 0.928 91 E CB 0.870 30.476 29.700 -0.156 0.000 0.937 91 E HN 0.750 nan 8.360 nan 0.000 0.446 92 N N 1.402 120.031 118.700 -0.119 0.000 2.192 92 N HA -0.257 4.481 4.740 -0.004 0.000 0.188 92 N C 1.314 176.760 175.510 -0.107 0.000 1.013 92 N CA 1.939 54.931 53.050 -0.098 0.000 0.863 92 N CB -0.173 38.271 38.487 -0.072 0.000 0.990 92 N HN 0.287 nan 8.380 nan 0.000 0.430 93 S N -2.378 113.243 115.700 -0.132 0.000 2.558 93 S HA 0.061 4.528 4.470 -0.004 0.000 0.217 93 S C 1.473 175.945 174.600 -0.214 0.000 0.975 93 S CA 0.315 58.436 58.200 -0.131 0.000 0.912 93 S CB -0.766 62.369 63.200 -0.109 0.000 0.776 93 S HN 0.300 nan 8.310 nan 0.000 0.526 94 T N 1.865 116.200 114.554 -0.366 0.000 2.699 94 T HA -0.051 4.296 4.350 -0.004 0.000 0.268 94 T C 0.268 174.470 174.700 -0.829 0.000 1.036 94 T CA 1.369 63.044 62.100 -0.708 0.000 1.147 94 T CB -0.492 67.705 68.868 -1.118 0.000 0.862 94 T HN 0.592 nan 8.240 nan 0.000 0.446 95 F N 1.093 120.933 119.950 -0.182 0.000 2.923 95 F HA 0.371 4.896 4.527 -0.004 0.000 0.314 95 F C 0.966 176.752 175.800 -0.023 0.000 1.196 95 F CA -1.240 56.682 58.000 -0.131 0.000 1.320 95 F CB -0.104 38.718 39.000 -0.296 0.000 0.953 95 F HN -0.067 nan 8.300 nan 0.000 0.505 96 D N 0.478 120.908 120.400 0.049 0.000 2.097 96 D HA -0.136 4.502 4.640 -0.004 0.000 0.195 96 D C 1.585 177.925 176.300 0.067 0.000 0.989 96 D CA 1.436 55.461 54.000 0.041 0.000 0.827 96 D CB 0.125 40.918 40.800 -0.011 0.000 0.966 96 D HN 0.179 nan 8.370 nan 0.000 0.456 97 E N -0.786 119.459 120.200 0.075 0.000 2.394 97 E HA 0.106 4.453 4.350 -0.004 0.000 0.191 97 E C 0.794 177.462 176.600 0.114 0.000 1.044 97 E CA -0.326 56.110 56.400 0.060 0.000 0.939 97 E CB -0.382 29.336 29.700 0.031 0.000 1.089 97 E HN 0.146 nan 8.360 nan 0.000 0.456 98 F N 0.335 120.298 119.950 0.022 0.000 2.186 98 F HA 0.049 4.573 4.527 -0.004 0.000 0.299 98 F C 1.822 177.566 175.800 -0.093 0.000 1.090 98 F CA 1.755 59.762 58.000 0.011 0.000 1.307 98 F CB 0.129 39.147 39.000 0.030 0.000 1.019 98 F HN 0.193 nan 8.300 nan 0.000 0.489 99 G N -0.832 107.860 108.800 -0.180 0.000 2.175 99 G HA2 -0.227 3.731 3.960 -0.004 0.000 0.244 99 G HA3 -0.227 3.731 3.960 -0.004 0.000 0.244 99 G C 0.071 174.562 174.900 -0.682 0.000 0.982 99 G CA 0.271 45.111 45.100 -0.434 0.000 0.641 99 G HN 0.562 nan 8.290 nan 0.000 0.527 100 H N -0.432 118.549 119.070 -0.149 0.000 2.930 100 H HA 0.562 5.116 4.556 -0.004 0.000 0.371 100 H C -0.370 175.043 175.328 0.141 0.000 1.169 100 H CA -0.020 56.003 56.048 -0.042 0.000 1.157 100 H CB 1.639 31.241 29.762 -0.267 0.000 1.789 100 H HN 0.212 nan 8.280 nan 0.000 0.547 101 S N 2.482 118.320 115.700 0.231 0.000 2.488 101 S HA 0.181 4.649 4.470 -0.004 0.000 0.278 101 S C 0.265 174.967 174.600 0.171 0.000 1.259 101 S CA -0.633 57.663 58.200 0.159 0.000 1.061 101 S CB -0.714 62.552 63.200 0.110 0.000 0.910 101 S HN 0.379 nan 8.310 nan 0.000 0.491 102 I N 5.677 126.297 120.570 0.082 0.000 2.379 102 I HA 0.145 4.312 4.170 -0.004 0.000 0.290 102 I C 1.434 177.557 176.117 0.010 0.000 1.063 102 I CA -0.340 60.967 61.300 0.012 0.000 1.351 102 I CB 0.833 38.726 38.000 -0.179 0.000 1.410 102 I HN 0.748 nan 8.210 nan 0.000 0.505 103 N N 3.813 122.520 118.700 0.011 0.000 2.250 103 N HA -0.066 4.672 4.740 -0.004 0.000 0.181 103 N C -0.021 175.439 175.510 -0.085 0.000 1.017 103 N CA 1.191 54.195 53.050 -0.076 0.000 0.866 103 N CB 0.366 38.767 38.487 -0.143 0.000 0.985 103 N HN 0.663 nan 8.380 nan 0.000 0.429 104 D N -2.920 117.468 120.400 -0.020 0.000 2.692 104 D HA 0.200 4.837 4.640 -0.004 0.000 0.290 104 D C -1.701 174.671 176.300 0.120 0.000 1.281 104 D CA -0.526 53.483 54.000 0.015 0.000 0.804 104 D CB 0.719 41.483 40.800 -0.060 0.000 1.331 104 D HN 0.074 nan 8.370 nan 0.000 0.432 105 Y N -1.353 118.966 120.300 0.031 0.000 2.644 105 Y HA 0.786 5.334 4.550 -0.004 0.000 0.338 105 Y C -1.223 174.763 175.900 0.143 0.000 1.119 105 Y CA -0.960 57.181 58.100 0.069 0.000 1.060 105 Y CB 1.770 40.252 38.460 0.036 0.000 1.294 105 Y HN 0.164 nan 8.280 nan 0.000 0.472 106 S N 1.836 117.729 115.700 0.322 0.000 2.652 106 S HA 0.558 5.026 4.470 -0.004 0.000 0.273 106 S C -1.604 173.314 174.600 0.530 0.000 1.172 106 S CA -0.474 57.919 58.200 0.322 0.000 1.009 106 S CB 0.253 63.653 63.200 0.333 0.000 1.094 106 S HN 0.684 nan 8.310 nan 0.000 0.471 107 I N 4.336 125.109 120.570 0.338 0.000 2.428 107 I HA 0.287 4.454 4.170 -0.004 0.000 0.289 107 I C 0.923 176.872 176.117 -0.280 0.000 1.019 107 I CA -0.135 61.260 61.300 0.158 0.000 1.351 107 I CB 1.708 39.822 38.000 0.190 0.000 1.412 107 I HN 0.748 nan 8.210 nan 0.000 0.513 108 S N 6.028 121.242 115.700 -0.811 0.000 2.568 108 S HA 0.167 4.634 4.470 -0.004 0.000 0.282 108 S C -1.812 172.489 174.600 -0.498 0.000 1.338 108 S CA -0.932 56.427 58.200 -1.403 0.000 1.045 108 S CB 0.635 62.889 63.200 -1.577 0.000 0.873 108 S HN 0.420 nan 8.310 nan 0.000 0.516 109 P HA -0.139 nan 4.420 nan 0.000 0.217 109 P C 0.691 177.951 177.300 -0.066 0.000 1.148 109 P CA 1.506 64.536 63.100 -0.116 0.000 0.828 109 P CB -0.163 31.495 31.700 -0.071 0.000 0.783 110 D N -2.129 118.230 120.400 -0.069 0.000 2.340 110 D HA 0.087 4.725 4.640 -0.004 0.000 0.220 110 D C 1.381 177.684 176.300 0.006 0.000 1.039 110 D CA 0.512 54.513 54.000 0.002 0.000 0.866 110 D CB -1.196 39.643 40.800 0.064 0.000 0.913 110 D HN 0.179 nan 8.370 nan 0.000 0.523 111 G N 0.497 109.285 108.800 -0.021 0.000 2.168 111 G HA2 -0.413 3.545 3.960 -0.004 0.000 0.257 111 G HA3 -0.413 3.545 3.960 -0.004 0.000 0.257 111 G C 0.900 175.792 174.900 -0.013 0.000 0.997 111 G CA 0.673 45.801 45.100 0.047 0.000 0.708 111 G HN 0.472 nan 8.290 nan 0.000 0.520 112 Q N -1.750 117.981 119.800 -0.114 0.000 2.302 112 Q HA 0.360 4.698 4.340 -0.004 0.000 0.202 112 Q C 0.201 175.780 176.000 -0.702 0.000 0.936 112 Q CA 0.652 56.218 55.803 -0.395 0.000 0.886 112 Q CB 0.386 28.868 28.738 -0.427 0.000 0.986 112 Q HN 0.580 nan 8.270 nan 0.000 0.487 113 F N -0.522 119.359 119.950 -0.115 0.000 2.588 113 F HA 0.483 5.007 4.527 -0.004 0.000 0.310 113 F C -0.631 175.234 175.800 0.109 0.000 1.082 113 F CA -1.109 56.891 58.000 0.001 0.000 0.929 113 F CB 1.797 40.828 39.000 0.053 0.000 1.254 113 F HN -0.199 nan 8.300 nan 0.000 0.455 114 I N 3.245 124.117 120.570 0.503 0.000 2.465 114 I HA 0.517 4.685 4.170 -0.004 0.000 0.291 114 I C -1.723 174.731 176.117 0.562 0.000 1.014 114 I CA -1.096 60.513 61.300 0.515 0.000 1.093 114 I CB 1.592 39.850 38.000 0.430 0.000 1.267 114 I HN 0.558 nan 8.210 nan 0.000 0.431 115 L N 8.304 129.893 121.223 0.610 0.000 2.265 115 L HA 0.471 4.808 4.340 -0.004 0.000 0.288 115 L C -1.228 175.811 176.870 0.283 0.000 1.058 115 L CA -0.020 55.064 54.840 0.407 0.000 0.809 115 L CB 0.917 43.152 42.059 0.294 0.000 1.179 115 L HN 0.493 nan 8.230 nan 0.000 0.429 116 L N 5.166 126.494 121.223 0.174 0.000 2.287 116 L HA 0.499 4.837 4.340 -0.004 0.000 0.287 116 L C -0.055 176.899 176.870 0.141 0.000 1.022 116 L CA -0.384 54.468 54.840 0.019 0.000 0.814 116 L CB 1.418 43.252 42.059 -0.375 0.000 1.217 116 L HN 0.600 nan 8.230 nan 0.000 0.420 117 E N 3.881 124.132 120.200 0.086 0.000 2.134 117 E HA 0.416 4.763 4.350 -0.004 0.000 0.278 117 E C -1.486 175.126 176.600 0.021 0.000 0.959 117 E CA -0.511 55.830 56.400 -0.097 0.000 0.783 117 E CB 0.976 30.679 29.700 0.006 0.000 1.095 117 E HN 0.458 nan 8.360 nan 0.000 0.399 118 Y N 1.727 121.878 120.300 -0.248 0.000 2.889 118 Y HA 0.450 4.998 4.550 -0.004 0.000 0.317 118 Y C -0.073 175.747 175.900 -0.134 0.000 1.414 118 Y CA -1.687 56.349 58.100 -0.108 0.000 1.091 118 Y CB 0.253 38.720 38.460 0.011 0.000 1.358 118 Y HN 0.477 nan 8.280 nan 0.000 0.487 119 N N -0.431 118.253 118.700 -0.027 0.000 2.727 119 N HA -0.304 4.434 4.740 -0.004 0.000 0.249 119 N C -1.067 174.401 175.510 -0.071 0.000 1.048 119 N CA 1.026 54.016 53.050 -0.099 0.000 0.714 119 N CB -1.605 36.708 38.487 -0.290 0.000 0.959 119 N HN 0.816 nan 8.380 nan 0.000 0.544 120 Y N 0.158 120.392 120.300 -0.111 0.000 2.569 120 Y HA 0.277 4.825 4.550 -0.004 0.000 0.332 120 Y C 0.015 175.885 175.900 -0.049 0.000 1.120 120 Y CA -0.052 57.986 58.100 -0.103 0.000 1.416 120 Y CB 0.676 39.035 38.460 -0.167 0.000 1.210 120 Y HN -0.005 nan 8.280 nan 0.000 0.528 121 V N 8.084 127.641 119.914 -0.594 0.000 2.419 121 V HA 0.187 4.305 4.120 -0.004 0.000 0.287 121 V C -0.208 175.514 176.094 -0.621 0.000 1.017 121 V CA -1.477 60.532 62.300 -0.485 0.000 0.844 121 V CB 1.188 32.877 31.823 -0.223 0.000 1.011 121 V HN 0.736 nan 8.190 nan 0.000 0.429 122 K N 3.495 123.506 120.400 -0.648 0.000 2.485 122 K HA 0.073 4.391 4.320 -0.004 0.000 0.277 122 K C 0.525 176.965 176.600 -0.267 0.000 0.990 122 K CA 0.516 56.595 56.287 -0.346 0.000 0.994 122 K CB 0.953 33.414 32.500 -0.065 0.000 0.906 122 K HN 0.824 nan 8.250 nan 0.000 0.488 123 Q N 3.001 122.629 119.800 -0.287 0.000 2.729 123 Q HA 0.160 4.497 4.340 -0.004 0.000 0.228 123 Q C 0.006 175.779 176.000 -0.379 0.000 1.021 123 Q CA -0.308 55.141 55.803 -0.590 0.000 0.561 123 Q CB 0.077 28.273 28.738 -0.903 0.000 3.921 123 Q HN 0.724 nan 8.270 nan 0.000 0.430 124 W N 0.051 121.344 121.300 -0.011 0.000 1.836 124 W HA 0.393 5.051 4.660 -0.004 0.000 0.628 124 W C 1.838 178.336 176.519 -0.034 0.000 1.626 124 W CA -0.740 56.620 57.345 0.025 0.000 1.714 124 W CB -0.207 29.235 29.460 -0.031 0.000 3.166 124 W HN 0.251 nan 8.180 nan 0.000 0.772 125 R N -0.630 119.946 120.500 0.126 0.000 2.081 125 R HA -0.139 4.198 4.340 -0.004 0.000 0.235 125 R C 1.760 177.881 176.300 -0.297 0.000 1.131 125 R CA 1.779 57.777 56.100 -0.169 0.000 0.960 125 R CB -0.377 29.675 30.300 -0.413 0.000 0.856 125 R HN 0.502 nan 8.270 nan 0.000 0.436 126 H N -1.382 117.763 119.070 0.125 0.000 2.927 126 H HA 0.165 4.718 4.556 -0.004 0.000 0.255 126 H C 0.547 175.970 175.328 0.159 0.000 0.974 126 H CA 0.416 56.561 56.048 0.162 0.000 1.199 126 H CB 0.284 30.117 29.762 0.118 0.000 1.447 126 H HN 0.125 nan 8.280 nan 0.000 0.467 127 S N 1.503 117.201 115.700 -0.002 0.000 2.576 127 S HA 0.368 4.835 4.470 -0.004 0.000 0.276 127 S C -0.289 174.202 174.600 -0.181 0.000 1.339 127 S CA -0.501 57.406 58.200 -0.488 0.000 1.039 127 S CB 0.605 63.013 63.200 -1.320 0.000 0.902 127 S HN 0.451 nan 8.310 nan 0.000 0.516 128 Y N -2.092 118.087 120.300 -0.202 0.000 2.741 128 Y HA 0.694 5.241 4.550 -0.004 0.000 0.339 128 Y C -0.683 175.201 175.900 -0.027 0.000 1.226 128 Y CA -0.992 56.987 58.100 -0.202 0.000 1.072 128 Y CB 0.537 38.852 38.460 -0.241 0.000 1.331 128 Y HN 0.842 nan 8.280 nan 0.000 0.453 129 T N -0.147 114.450 114.554 0.073 0.000 2.942 129 T HA 1.008 5.356 4.350 -0.004 0.000 0.289 129 T C -0.475 174.315 174.700 0.150 0.000 1.044 129 T CA -0.196 61.970 62.100 0.110 0.000 1.023 129 T CB 1.745 70.633 68.868 0.033 0.000 1.123 129 T HN 1.823 nan 8.240 nan 0.000 0.512 130 A N 0.761 123.634 122.820 0.089 0.000 2.601 130 A HA 0.745 5.063 4.320 -0.004 0.000 0.291 130 A C -0.495 176.849 177.584 -0.399 0.000 1.075 130 A CA -0.959 50.978 52.037 -0.166 0.000 0.671 130 A CB 1.115 20.004 19.000 -0.186 0.000 1.277 130 A HN 0.840 nan 8.150 nan 0.000 0.417 131 S N -0.644 114.592 115.700 -0.773 0.000 2.654 131 S HA 0.804 5.271 4.470 -0.004 0.000 0.283 131 S C -1.475 172.437 174.600 -1.146 0.000 1.180 131 S CA -0.035 57.616 58.200 -0.916 0.000 1.021 131 S CB 0.594 62.993 63.200 -1.335 0.000 1.018 131 S HN 0.458 nan 8.310 nan 0.000 0.532 132 Y N 0.127 120.227 120.300 -0.333 0.000 2.433 132 Y HA 0.412 4.959 4.550 -0.004 0.000 0.337 132 Y C -0.426 175.532 175.900 0.097 0.000 1.026 132 Y CA -0.945 57.111 58.100 -0.074 0.000 1.037 132 Y CB 1.664 40.014 38.460 -0.182 0.000 1.245 132 Y HN 0.492 nan 8.280 nan 0.000 0.443 133 D N 2.695 123.327 120.400 0.387 0.000 2.340 133 D HA 0.595 5.232 4.640 -0.004 0.000 0.240 133 D C -0.805 175.628 176.300 0.221 0.000 1.001 133 D CA -0.358 53.821 54.000 0.299 0.000 0.888 133 D CB 2.540 43.586 40.800 0.411 0.000 1.310 133 D HN 0.401 nan 8.370 nan 0.000 0.474 134 I N 1.558 122.254 120.570 0.210 0.000 2.404 134 I HA 0.236 4.404 4.170 -0.004 0.000 0.293 134 I C -0.928 175.405 176.117 0.360 0.000 0.992 134 I CA -0.982 60.481 61.300 0.272 0.000 1.149 134 I CB 1.435 39.548 38.000 0.188 0.000 1.315 134 I HN 0.204 nan 8.210 nan 0.000 0.446 135 Y N 5.530 126.000 120.300 0.283 0.000 2.331 135 Y HA 0.288 4.835 4.550 -0.004 0.000 0.338 135 Y C -0.097 175.979 175.900 0.294 0.000 0.976 135 Y CA -0.693 57.572 58.100 0.274 0.000 1.137 135 Y CB 1.036 39.672 38.460 0.294 0.000 1.172 135 Y HN 0.497 nan 8.280 nan 0.000 0.478 136 D N 6.416 126.711 120.400 -0.175 0.000 2.338 136 D HA 0.057 4.695 4.640 -0.004 0.000 0.255 136 D C 0.720 176.692 176.300 -0.546 0.000 1.237 136 D CA 0.405 54.232 54.000 -0.289 0.000 0.883 136 D CB 0.939 41.638 40.800 -0.169 0.000 1.087 136 D HN 0.884 nan 8.370 nan 0.000 0.485 137 L N 3.773 124.749 121.223 -0.411 0.000 2.156 137 L HA -0.120 4.218 4.340 -0.004 0.000 0.208 137 L C 2.072 178.770 176.870 -0.287 0.000 1.095 137 L CA 0.524 55.209 54.840 -0.258 0.000 0.770 137 L CB -0.152 41.800 42.059 -0.178 0.000 0.914 137 L HN 0.393 nan 8.230 nan 0.000 0.439 138 N N 0.251 118.747 118.700 -0.340 0.000 2.207 138 N HA -0.117 4.620 4.740 -0.004 0.000 0.182 138 N C 1.623 177.004 175.510 -0.214 0.000 1.020 138 N CA 1.035 53.934 53.050 -0.253 0.000 0.858 138 N CB -0.041 38.297 38.487 -0.248 0.000 0.991 138 N HN 0.310 nan 8.380 nan 0.000 0.427 139 K N 0.759 121.014 120.400 -0.242 0.000 2.365 139 K HA 0.170 4.488 4.320 -0.004 0.000 0.197 139 K C -0.047 176.425 176.600 -0.214 0.000 1.042 139 K CA -0.043 56.130 56.287 -0.190 0.000 0.987 139 K CB 0.239 32.644 32.500 -0.160 0.000 0.779 139 K HN 0.078 nan 8.250 nan 0.000 0.484 140 R N 1.301 121.609 120.500 -0.321 0.000 3.333 140 R HA -0.205 4.133 4.340 -0.004 0.000 0.256 140 R C -0.949 175.134 176.300 -0.361 0.000 1.010 140 R CA 0.585 56.476 56.100 -0.349 0.000 0.680 140 R CB -1.901 28.343 30.300 -0.092 0.000 1.102 140 R HN 0.376 nan 8.270 nan 0.000 0.440 141 Q N 0.234 119.719 119.800 -0.525 0.000 2.375 141 Q HA 0.383 4.721 4.340 -0.004 0.000 0.271 141 Q C -0.822 175.031 176.000 -0.245 0.000 1.074 141 Q CA -1.247 54.411 55.803 -0.242 0.000 0.808 141 Q CB 2.200 30.873 28.738 -0.109 0.000 1.327 141 Q HN 0.022 nan 8.270 nan 0.000 0.441 142 L N 2.635 123.928 121.223 0.116 0.000 2.367 142 L HA 0.274 4.611 4.340 -0.004 0.000 0.275 142 L C -0.622 176.341 176.870 0.156 0.000 1.129 142 L CA 0.369 55.377 54.840 0.280 0.000 0.839 142 L CB 0.514 42.815 42.059 0.404 0.000 1.133 142 L HN 0.539 nan 8.230 nan 0.000 0.453 143 I N 4.078 124.744 120.570 0.161 0.000 2.471 143 I HA 0.107 4.274 4.170 -0.004 0.000 0.286 143 I C 0.979 177.150 176.117 0.090 0.000 1.079 143 I CA 0.167 61.531 61.300 0.107 0.000 1.398 143 I CB 0.855 38.915 38.000 0.100 0.000 1.403 143 I HN 0.794 nan 8.210 nan 0.000 0.530 144 T N 0.452 115.041 114.554 0.058 0.000 3.010 144 T HA 0.271 4.618 4.350 -0.004 0.000 0.257 144 T C 0.403 175.109 174.700 0.010 0.000 1.020 144 T CA -0.308 61.817 62.100 0.042 0.000 0.938 144 T CB 0.090 68.982 68.868 0.040 0.000 1.049 144 T HN 0.413 nan 8.240 nan 0.000 0.522 145 E N 1.696 121.896 120.200 0.001 0.000 2.222 145 E HA 0.492 4.840 4.350 -0.004 0.000 0.272 145 E C -0.223 176.351 176.600 -0.044 0.000 0.982 145 E CA -0.620 55.767 56.400 -0.022 0.000 0.842 145 E CB 0.612 30.302 29.700 -0.017 0.000 1.144 145 E HN 0.048 nan 8.360 nan 0.000 0.397 146 E N 0.932 121.092 120.200 -0.067 0.000 2.297 146 E HA -0.266 4.081 4.350 -0.004 0.000 0.228 146 E C -0.761 175.765 176.600 -0.123 0.000 1.213 146 E CA 0.567 56.909 56.400 -0.097 0.000 0.712 146 E CB -1.265 28.385 29.700 -0.082 0.000 1.202 146 E HN 0.435 nan 8.360 nan 0.000 0.376 147 R N -0.206 120.216 120.500 -0.131 0.000 2.594 147 R HA 0.312 4.649 4.340 -0.004 0.000 0.272 147 R C 1.086 177.222 176.300 -0.273 0.000 1.074 147 R CA -0.422 55.588 56.100 -0.149 0.000 1.105 147 R CB 0.497 30.739 30.300 -0.097 0.000 1.008 147 R HN 0.145 nan 8.270 nan 0.000 0.472 148 I N 5.406 125.777 120.570 -0.333 0.000 2.741 148 I HA -0.036 4.132 4.170 -0.004 0.000 0.288 148 I C -1.498 174.326 176.117 -0.489 0.000 1.192 148 I CA -0.998 59.948 61.300 -0.590 0.000 1.426 148 I CB 0.231 37.888 38.000 -0.571 0.000 1.367 148 I HN 0.389 nan 8.210 nan 0.000 0.563 149 P HA 0.090 nan 4.420 nan 0.000 0.274 149 P C -0.879 176.217 177.300 -0.340 0.000 1.246 149 P CA -0.473 62.270 63.100 -0.594 0.000 0.795 149 P CB 0.457 31.456 31.700 -1.169 0.000 1.006 150 N N 1.729 120.306 118.700 -0.205 0.000 2.453 150 N HA -0.002 4.736 4.740 -0.004 0.000 0.253 150 N C 0.654 176.224 175.510 0.101 0.000 1.252 150 N CA 0.349 53.348 53.050 -0.085 0.000 0.917 150 N CB -0.536 37.913 38.487 -0.063 0.000 1.117 150 N HN 0.437 nan 8.380 nan 0.000 0.442 151 N N -1.175 117.574 118.700 0.081 0.000 2.776 151 N HA -0.153 4.584 4.740 -0.004 0.000 0.249 151 N C -0.875 174.808 175.510 0.288 0.000 1.111 151 N CA 0.639 53.783 53.050 0.157 0.000 0.711 151 N CB -1.666 36.921 38.487 0.166 0.000 1.065 151 N HN 0.475 nan 8.380 nan 0.000 0.556 152 T N 0.835 115.551 114.554 0.271 0.000 2.901 152 T HA 0.132 4.480 4.350 -0.004 0.000 0.301 152 T C 1.688 176.543 174.700 0.258 0.000 1.012 152 T CA 0.118 62.401 62.100 0.305 0.000 1.135 152 T CB 1.415 70.370 68.868 0.145 0.000 0.936 152 T HN 0.162 nan 8.240 nan 0.000 0.539 153 Q N 1.607 121.548 119.800 0.235 0.000 2.297 153 Q HA 0.170 4.507 4.340 -0.004 0.000 0.203 153 Q C 0.074 176.221 176.000 0.244 0.000 0.931 153 Q CA 0.400 56.349 55.803 0.242 0.000 0.885 153 Q CB 0.778 29.611 28.738 0.159 0.000 0.991 153 Q HN 0.701 nan 8.270 nan 0.000 0.498 154 W N -0.274 120.975 121.300 -0.085 0.000 3.571 154 W HA 0.498 5.155 4.660 -0.004 0.000 0.294 154 W C -2.314 174.111 176.519 -0.157 0.000 1.257 154 W CA -0.709 56.540 57.345 -0.161 0.000 1.206 154 W CB 1.239 30.538 29.460 -0.268 0.000 1.325 154 W HN -0.277 nan 8.180 nan 0.000 0.546 155 V N 4.540 123.727 119.914 -1.212 0.000 2.888 155 V HA 0.815 4.933 4.120 -0.004 0.000 0.309 155 V C -1.504 173.927 176.094 -1.105 0.000 1.114 155 V CA -0.102 61.629 62.300 -0.950 0.000 0.940 155 V CB 2.322 33.549 31.823 -0.995 0.000 1.021 155 V HN 0.607 nan 8.190 nan 0.000 0.426 156 T N 5.284 119.529 114.554 -0.514 0.000 3.041 156 T HA 0.480 4.828 4.350 -0.004 0.000 0.321 156 T C -1.268 173.437 174.700 0.008 0.000 1.184 156 T CA -0.346 61.639 62.100 -0.192 0.000 1.050 156 T CB 0.804 69.805 68.868 0.222 0.000 1.159 156 T HN 0.720 nan 8.240 nan 0.000 0.469 157 W N 3.465 124.800 121.300 0.058 0.000 2.148 157 W HA 0.367 5.025 4.660 -0.004 0.000 0.347 157 W C 1.373 177.748 176.519 -0.240 0.000 1.288 157 W CA -0.420 56.909 57.345 -0.026 0.000 1.252 157 W CB 0.462 29.907 29.460 -0.025 0.000 1.156 157 W HN 0.816 nan 8.180 nan 0.000 0.580 158 S N 2.241 117.647 115.700 -0.491 0.000 2.569 158 S HA 0.037 4.504 4.470 -0.004 0.000 0.274 158 S C -1.530 172.802 174.600 -0.447 0.000 1.353 158 S CA -0.920 56.490 58.200 -1.317 0.000 1.023 158 S CB 0.639 62.994 63.200 -1.407 0.000 0.876 158 S HN 0.379 nan 8.310 nan 0.000 0.540 159 P HA 0.164 nan 4.420 nan 0.000 0.233 159 P C -0.179 177.076 177.300 -0.075 0.000 1.167 159 P CA 0.382 63.439 63.100 -0.071 0.000 0.770 159 P CB 0.054 31.763 31.700 0.016 0.000 0.837 160 V N -1.159 118.662 119.914 -0.155 0.000 2.789 160 V HA 0.648 4.766 4.120 -0.004 0.000 0.311 160 V C 0.785 176.774 176.094 -0.175 0.000 1.073 160 V CA 0.197 62.424 62.300 -0.122 0.000 0.921 160 V CB 1.161 32.924 31.823 -0.100 0.000 1.009 160 V HN 0.431 nan 8.190 nan 0.000 0.426 161 G N 3.388 112.107 108.800 -0.134 0.000 2.514 161 G HA2 -0.208 3.750 3.960 -0.004 0.000 0.265 161 G HA3 -0.208 3.750 3.960 -0.004 0.000 0.265 161 G C 0.162 174.988 174.900 -0.124 0.000 1.150 161 G CA 0.621 45.612 45.100 -0.182 0.000 0.959 161 G HN 1.866 nan 8.290 nan 0.000 0.556 162 H N -0.557 118.508 119.070 -0.008 0.000 3.204 162 H HA 0.384 4.938 4.556 -0.004 0.000 0.240 162 H C 0.178 175.670 175.328 0.273 0.000 1.259 162 H CA -0.104 56.007 56.048 0.105 0.000 0.991 162 H CB -0.330 29.494 29.762 0.102 0.000 2.583 162 H HN 0.521 nan 8.280 nan 0.000 0.638 163 K N 1.714 122.157 120.400 0.072 0.000 2.258 163 K HA 0.449 4.766 4.320 -0.004 0.000 0.264 163 K C -0.417 176.286 176.600 0.171 0.000 1.007 163 K CA -0.284 56.043 56.287 0.068 0.000 0.941 163 K CB 1.592 33.987 32.500 -0.174 0.000 0.966 163 K HN 0.138 nan 8.250 nan 0.000 0.480 164 L N 1.385 122.727 121.223 0.197 0.000 2.362 164 L HA 0.553 4.891 4.340 -0.004 0.000 0.271 164 L C -0.789 176.282 176.870 0.335 0.000 1.002 164 L CA -0.781 54.135 54.840 0.126 0.000 0.818 164 L CB 2.098 44.067 42.059 -0.149 0.000 1.298 164 L HN 0.685 nan 8.230 nan 0.000 0.420 165 A N 2.603 125.629 122.820 0.344 0.000 2.343 165 A HA 0.826 5.143 4.320 -0.004 0.000 0.316 165 A C -1.500 176.115 177.584 0.051 0.000 1.104 165 A CA -0.375 51.732 52.037 0.117 0.000 0.768 165 A CB 1.020 19.971 19.000 -0.081 0.000 1.213 165 A HN 0.652 nan 8.150 nan 0.000 0.456 166 Y N -0.538 119.718 120.300 -0.075 0.000 2.615 166 Y HA 0.766 5.314 4.550 -0.004 0.000 0.341 166 Y C -1.139 174.774 175.900 0.021 0.000 1.089 166 Y CA -1.602 56.439 58.100 -0.100 0.000 1.049 166 Y CB 1.175 39.513 38.460 -0.203 0.000 1.296 166 Y HN 0.373 nan 8.280 nan 0.000 0.470 167 V N 2.006 122.055 119.914 0.224 0.000 2.448 167 V HA 0.367 4.484 4.120 -0.004 0.000 0.295 167 V C -1.421 174.894 176.094 0.368 0.000 1.025 167 V CA -0.618 61.787 62.300 0.174 0.000 0.859 167 V CB 1.181 33.014 31.823 0.017 0.000 0.988 167 V HN 0.876 nan 8.190 nan 0.000 0.431 168 W N 4.987 126.401 121.300 0.189 0.000 3.042 168 W HA 0.455 5.113 4.660 -0.004 0.000 0.337 168 W C 0.252 176.838 176.519 0.112 0.000 1.086 168 W CA -0.697 56.732 57.345 0.141 0.000 1.236 168 W CB 1.244 30.769 29.460 0.108 0.000 1.381 168 W HN 0.781 nan 8.180 nan 0.000 0.472 169 N N 5.227 123.526 118.700 -0.669 0.000 2.716 169 N HA -0.343 4.395 4.740 -0.004 0.000 0.250 169 N C -0.046 175.289 175.510 -0.293 0.000 1.033 169 N CA 1.007 53.685 53.050 -0.621 0.000 0.727 169 N CB -0.895 36.987 38.487 -1.009 0.000 0.950 169 N HN 0.720 nan 8.380 nan 0.000 0.541 170 N N -1.582 117.014 118.700 -0.174 0.000 2.828 170 N HA -0.153 4.585 4.740 -0.004 0.000 0.248 170 N C -1.429 173.994 175.510 -0.146 0.000 1.044 170 N CA 1.654 54.621 53.050 -0.138 0.000 0.851 170 N CB -0.496 37.869 38.487 -0.204 0.000 1.136 170 N HN 0.542 nan 8.380 nan 0.000 0.572 171 D N -0.172 120.145 120.400 -0.138 0.000 2.340 171 D HA 0.495 5.133 4.640 -0.004 0.000 0.240 171 D C 0.458 176.551 176.300 -0.346 0.000 1.001 171 D CA -0.452 53.373 54.000 -0.292 0.000 0.888 171 D CB 1.371 41.934 40.800 -0.395 0.000 1.310 171 D HN -0.002 nan 8.370 nan 0.000 0.474 172 I N 1.547 121.752 120.570 -0.609 0.000 2.396 172 I HA 0.247 4.415 4.170 -0.004 0.000 0.292 172 I C -0.669 174.929 176.117 -0.865 0.000 0.999 172 I CA -0.414 60.516 61.300 -0.617 0.000 1.310 172 I CB 0.561 38.125 38.000 -0.728 0.000 1.404 172 I HN 0.162 nan 8.210 nan 0.000 0.496 173 Y N 3.929 123.841 120.300 -0.646 0.000 2.512 173 Y HA 0.646 5.194 4.550 -0.004 0.000 0.348 173 Y C -0.427 175.124 175.900 -0.582 0.000 0.990 173 Y CA -0.952 56.723 58.100 -0.709 0.000 1.033 173 Y CB 2.090 39.862 38.460 -1.147 0.000 1.259 173 Y HN 0.107 nan 8.280 nan 0.000 0.461 174 V N 2.770 122.615 119.914 -0.115 0.000 2.588 174 V HA 0.460 4.577 4.120 -0.004 0.000 0.304 174 V C -0.924 175.292 176.094 0.203 0.000 1.042 174 V CA -1.436 60.899 62.300 0.058 0.000 0.877 174 V CB 1.954 33.837 31.823 0.100 0.000 0.996 174 V HN 0.623 nan 8.190 nan 0.000 0.425 175 K N 4.538 125.065 120.400 0.212 0.000 2.307 175 K HA 0.523 4.841 4.320 -0.004 0.000 0.263 175 K C 0.287 177.019 176.600 0.220 0.000 0.973 175 K CA -0.774 55.631 56.287 0.196 0.000 0.846 175 K CB 2.041 34.614 32.500 0.121 0.000 1.100 175 K HN 0.399 nan 8.250 nan 0.000 0.438 176 I N 1.152 121.873 120.570 0.251 0.000 2.406 176 I HA -0.055 4.112 4.170 -0.004 0.000 0.249 176 I C 0.395 176.619 176.117 0.178 0.000 1.122 176 I CA 1.386 62.806 61.300 0.200 0.000 1.431 176 I CB -0.295 37.832 38.000 0.211 0.000 1.087 176 I HN 0.585 nan 8.210 nan 0.000 0.424 177 E N 0.200 120.493 120.200 0.155 0.000 2.266 177 E HA 0.283 4.630 4.350 -0.004 0.000 0.268 177 E C -1.958 174.632 176.600 -0.017 0.000 0.879 177 E CA -1.918 54.548 56.400 0.111 0.000 0.762 177 E CB 1.831 31.593 29.700 0.104 0.000 1.199 177 E HN -0.133 nan 8.360 nan 0.000 0.422 178 P HA -0.147 nan 4.420 nan 0.000 0.219 178 P C 0.841 178.064 177.300 -0.130 0.000 1.146 178 P CA 1.207 64.161 63.100 -0.243 0.000 0.808 178 P CB 0.282 31.612 31.700 -0.617 0.000 0.779 179 N N -1.129 117.519 118.700 -0.087 0.000 2.280 179 N HA 0.010 4.747 4.740 -0.004 0.000 0.192 179 N C 0.230 175.722 175.510 -0.029 0.000 1.109 179 N CA 0.236 53.265 53.050 -0.034 0.000 0.855 179 N CB -0.184 38.304 38.487 0.002 0.000 0.974 179 N HN 0.179 nan 8.380 nan 0.000 0.482 180 L N 0.708 121.914 121.223 -0.029 0.000 2.358 180 L HA 0.509 4.847 4.340 -0.004 0.000 0.268 180 L C -2.252 174.573 176.870 -0.075 0.000 1.032 180 L CA -2.267 52.554 54.840 -0.033 0.000 0.805 180 L CB 1.197 43.257 42.059 0.002 0.000 1.253 180 L HN -0.199 nan 8.230 nan 0.000 0.452 181 P HA 0.040 nan 4.420 nan 0.000 0.267 181 P C -0.770 176.367 177.300 -0.272 0.000 1.200 181 P CA -0.024 62.969 63.100 -0.179 0.000 0.772 181 P CB 0.542 32.127 31.700 -0.192 0.000 0.855 182 S N 1.333 116.924 115.700 -0.183 0.000 2.585 182 S HA 0.224 4.691 4.470 -0.004 0.000 0.273 182 S C -0.428 174.016 174.600 -0.261 0.000 1.339 182 S CA 0.038 58.164 58.200 -0.122 0.000 1.028 182 S CB -0.175 63.038 63.200 0.021 0.000 0.906 182 S HN 0.239 nan 8.310 nan 0.000 0.528 183 Y N 1.110 121.435 120.300 0.042 0.000 2.328 183 Y HA 0.397 4.944 4.550 -0.004 0.000 0.337 183 Y C 0.671 176.510 175.900 -0.100 0.000 1.008 183 Y CA -0.673 57.433 58.100 0.011 0.000 1.129 183 Y CB 0.693 39.158 38.460 0.008 0.000 1.185 183 Y HN 0.504 nan 8.280 nan 0.000 0.476 184 R N 3.314 123.771 120.500 -0.072 0.000 2.389 184 R HA 0.227 4.565 4.340 -0.004 0.000 0.295 184 R C 0.130 176.029 176.300 -0.669 0.000 1.075 184 R CA -0.053 55.646 56.100 -0.667 0.000 1.005 184 R CB 0.379 30.119 30.300 -0.934 0.000 0.987 184 R HN 0.763 nan 8.270 nan 0.000 0.452 185 I N 2.005 122.108 120.570 -0.778 0.000 3.172 185 I HA 0.005 4.173 4.170 -0.004 0.000 0.278 185 I C 0.973 176.831 176.117 -0.432 0.000 1.174 185 I CA 0.848 61.866 61.300 -0.470 0.000 1.445 185 I CB -0.469 37.247 38.000 -0.473 0.000 1.175 185 I HN 0.667 nan 8.210 nan 0.000 0.447 186 T N -3.860 110.277 114.554 -0.695 0.000 2.907 186 T HA 0.381 4.729 4.350 -0.004 0.000 0.292 186 T C -0.100 174.280 174.700 -0.534 0.000 1.043 186 T CA -0.531 61.321 62.100 -0.414 0.000 1.003 186 T CB 2.245 70.865 68.868 -0.414 0.000 1.084 186 T HN 0.218 nan 8.240 nan 0.000 0.483 187 W N 0.686 121.871 121.300 -0.191 0.000 2.714 187 W HA 0.103 4.760 4.660 -0.004 0.000 0.353 187 W C 1.619 178.079 176.519 -0.099 0.000 0.999 187 W CA 0.182 57.451 57.345 -0.126 0.000 1.629 187 W CB 0.550 29.957 29.460 -0.088 0.000 1.106 187 W HN 0.953 nan 8.180 nan 0.000 0.545 188 T N -2.234 112.354 114.554 0.057 0.000 3.065 188 T HA 0.145 4.492 4.350 -0.004 0.000 0.252 188 T C 1.362 176.045 174.700 -0.028 0.000 1.099 188 T CA 0.368 62.482 62.100 0.024 0.000 1.063 188 T CB -0.135 68.745 68.868 0.020 0.000 0.948 188 T HN -0.037 nan 8.240 nan 0.000 0.506 189 G N 1.480 110.229 108.800 -0.084 0.000 2.115 189 G HA2 0.226 4.183 3.960 -0.004 0.000 0.244 189 G HA3 0.226 4.183 3.960 -0.004 0.000 0.244 189 G C -0.519 174.307 174.900 -0.123 0.000 1.105 189 G CA -0.177 44.850 45.100 -0.122 0.000 0.893 189 G HN 0.604 nan 8.290 nan 0.000 0.443 190 K N 2.079 122.385 120.400 -0.156 0.000 2.588 190 K HA 0.160 4.478 4.320 -0.004 0.000 0.250 190 K C -0.079 176.390 176.600 -0.218 0.000 0.972 190 K CA -0.674 55.525 56.287 -0.147 0.000 0.821 190 K CB 1.439 33.889 32.500 -0.083 0.000 1.249 190 K HN 0.659 nan 8.250 nan 0.000 0.442 191 E N 3.468 123.551 120.200 -0.195 0.000 2.820 191 E HA -0.181 4.166 4.350 -0.004 0.000 0.251 191 E C -0.583 175.921 176.600 -0.160 0.000 0.944 191 E CA 1.080 57.367 56.400 -0.189 0.000 0.955 191 E CB 0.210 29.836 29.700 -0.123 0.000 0.904 191 E HN 0.648 nan 8.360 nan 0.000 0.513 192 D N 2.478 122.761 120.400 -0.195 0.000 3.046 192 D HA -0.237 4.400 4.640 -0.004 0.000 0.210 192 D C 0.521 176.834 176.300 0.021 0.000 1.124 192 D CA 1.394 55.397 54.000 0.005 0.000 0.986 192 D CB -0.502 40.347 40.800 0.081 0.000 1.118 192 D HN 0.424 nan 8.370 nan 0.000 0.416 193 I N -0.950 119.534 120.570 -0.144 0.000 3.664 193 I HA 0.102 4.269 4.170 -0.004 0.000 0.251 193 I C 0.803 176.940 176.117 0.033 0.000 1.134 193 I CA 0.305 61.609 61.300 0.007 0.000 1.520 193 I CB -0.033 37.967 38.000 0.000 0.000 1.638 193 I HN -0.150 nan 8.210 nan 0.000 0.431 194 I N 1.831 122.348 120.570 -0.088 0.000 2.354 194 I HA 0.254 4.422 4.170 -0.004 0.000 0.292 194 I C -1.206 174.848 176.117 -0.105 0.000 0.989 194 I CA -0.514 60.795 61.300 0.015 0.000 1.188 194 I CB 0.563 38.578 38.000 0.024 0.000 1.342 194 I HN 0.087 nan 8.210 nan 0.000 0.457 195 Y N 4.617 125.004 120.300 0.146 0.000 2.345 195 Y HA 0.378 4.925 4.550 -0.004 0.000 0.331 195 Y C 0.356 176.316 175.900 0.100 0.000 0.959 195 Y CA -0.722 57.465 58.100 0.146 0.000 1.204 195 Y CB 0.960 39.587 38.460 0.278 0.000 1.135 195 Y HN 0.426 nan 8.280 nan 0.000 0.477 196 N N 2.408 121.163 118.700 0.091 0.000 2.437 196 N HA 0.320 5.058 4.740 -0.004 0.000 0.259 196 N C 0.874 176.312 175.510 -0.120 0.000 0.983 196 N CA 0.472 53.504 53.050 -0.030 0.000 0.937 196 N CB 1.799 40.165 38.487 -0.202 0.000 1.122 196 N HN 0.998 nan 8.380 nan 0.000 0.499 197 G N 1.658 110.412 108.800 -0.076 0.000 2.184 197 G HA2 -0.260 3.698 3.960 -0.004 0.000 0.264 197 G HA3 -0.260 3.698 3.960 -0.004 0.000 0.264 197 G C 0.135 174.881 174.900 -0.256 0.000 0.975 197 G CA 0.736 45.716 45.100 -0.201 0.000 0.642 197 G HN 0.662 nan 8.290 nan 0.000 0.536 198 I N -1.793 118.700 120.570 -0.128 0.000 2.934 198 I HA 0.813 4.980 4.170 -0.004 0.000 0.306 198 I C 0.383 176.536 176.117 0.059 0.000 1.110 198 I CA -0.680 60.466 61.300 -0.256 0.000 1.019 198 I CB 2.008 39.682 38.000 -0.543 0.000 1.227 198 I HN 0.158 nan 8.210 nan 0.000 0.434 199 T N -0.312 114.206 114.554 -0.060 0.000 2.899 199 T HA 0.321 4.668 4.350 -0.004 0.000 0.284 199 T C -0.118 174.360 174.700 -0.371 0.000 1.004 199 T CA -0.664 61.269 62.100 -0.278 0.000 1.043 199 T CB 1.152 69.938 68.868 -0.136 0.000 1.013 199 T HN 0.769 nan 8.240 nan 0.000 0.518 200 D N 0.402 120.327 120.400 -0.791 0.000 2.447 200 D HA 0.003 4.641 4.640 -0.004 0.000 0.265 200 D C 0.997 177.214 176.300 -0.139 0.000 1.250 200 D CA -1.070 52.486 54.000 -0.738 0.000 1.046 200 D CB 0.171 40.533 40.800 -0.729 0.000 1.095 200 D HN 0.740 nan 8.370 nan 0.000 0.555 201 W N 0.302 121.540 121.300 -0.105 0.000 2.317 201 W HA -0.232 4.425 4.660 -0.004 0.000 0.318 201 W C 2.117 178.533 176.519 -0.173 0.000 1.227 201 W CA 2.308 59.590 57.345 -0.106 0.000 1.269 201 W CB -0.413 28.914 29.460 -0.221 0.000 1.155 201 W HN 0.190 nan 8.180 nan 0.000 0.484 202 V N -0.166 119.845 119.914 0.161 0.000 2.453 202 V HA -0.271 3.847 4.120 -0.004 0.000 0.247 202 V C 1.851 177.797 176.094 -0.246 0.000 1.048 202 V CA 1.943 64.227 62.300 -0.026 0.000 1.049 202 V CB -0.726 31.080 31.823 -0.028 0.000 0.672 202 V HN 0.304 nan 8.190 nan 0.000 0.457 203 Y N 0.673 120.815 120.300 -0.264 0.000 2.242 203 Y HA -0.175 4.373 4.550 -0.004 0.000 0.291 203 Y C 2.582 178.391 175.900 -0.150 0.000 1.137 203 Y CA 2.124 60.075 58.100 -0.248 0.000 1.181 203 Y CB -0.069 38.105 38.460 -0.476 0.000 0.989 203 Y HN 0.386 nan 8.280 nan 0.000 0.527 204 E N 0.378 120.549 120.200 -0.048 0.000 2.031 204 E HA -0.302 4.046 4.350 -0.004 0.000 0.193 204 E C 2.040 178.590 176.600 -0.083 0.000 0.994 204 E CA 1.626 58.015 56.400 -0.018 0.000 0.800 204 E CB -0.032 29.660 29.700 -0.013 0.000 0.752 204 E HN 0.390 nan 8.360 nan 0.000 0.447 205 E N 0.277 120.240 120.200 -0.394 0.000 2.046 205 E HA -0.160 4.187 4.350 -0.004 0.000 0.190 205 E C 1.710 178.199 176.600 -0.185 0.000 0.982 205 E CA 1.614 57.773 56.400 -0.402 0.000 0.800 205 E CB 0.115 29.234 29.700 -0.968 0.000 0.756 205 E HN 0.234 nan 8.360 nan 0.000 0.449 206 E N -0.848 119.221 120.200 -0.219 0.000 2.431 206 E HA 0.096 4.444 4.350 -0.004 0.000 0.200 206 E C 1.675 178.156 176.600 -0.199 0.000 0.995 206 E CA 0.352 56.669 56.400 -0.137 0.000 0.915 206 E CB 0.979 30.592 29.700 -0.145 0.000 0.930 206 E HN 0.204 nan 8.360 nan 0.000 0.496 207 V N -0.639 119.114 119.914 -0.268 0.000 2.870 207 V HA 0.069 4.186 4.120 -0.004 0.000 0.232 207 V C 1.393 177.279 176.094 -0.348 0.000 1.161 207 V CA 0.556 62.613 62.300 -0.406 0.000 1.204 207 V CB -0.250 31.204 31.823 -0.616 0.000 1.003 207 V HN 0.008 nan 8.190 nan 0.000 0.499 208 F N 0.764 120.738 119.950 0.040 0.000 2.754 208 F HA 0.272 4.796 4.527 -0.004 0.000 0.297 208 F C 1.618 177.389 175.800 -0.048 0.000 1.122 208 F CA 0.345 58.380 58.000 0.059 0.000 1.400 208 F CB -0.216 38.865 39.000 0.134 0.000 1.117 208 F HN 0.085 nan 8.300 nan 0.000 0.587 209 S N 0.353 116.072 115.700 0.032 0.000 3.521 209 S HA -0.045 4.423 4.470 -0.004 0.000 0.362 209 S C 0.104 174.285 174.600 -0.699 0.000 1.044 209 S CA 0.445 58.515 58.200 -0.216 0.000 1.091 209 S CB -1.755 61.378 63.200 -0.112 0.000 0.908 209 S HN 0.626 nan 8.310 nan 0.000 0.473 210 A N -0.686 121.965 122.820 -0.282 0.000 2.608 210 A HA 0.703 5.020 4.320 -0.004 0.000 0.292 210 A C -0.217 177.347 177.584 -0.033 0.000 1.066 210 A CA -0.512 51.385 52.037 -0.234 0.000 0.676 210 A CB 0.355 19.220 19.000 -0.224 0.000 1.277 210 A HN 0.245 nan 8.150 nan 0.000 0.413 211 Y N 1.785 121.939 120.300 -0.243 0.000 2.365 211 Y HA 0.090 4.637 4.550 -0.004 0.000 0.293 211 Y C 1.674 177.295 175.900 -0.464 0.000 1.119 211 Y CA 0.854 58.810 58.100 -0.241 0.000 1.203 211 Y CB -0.091 38.269 38.460 -0.168 0.000 1.026 211 Y HN 0.750 nan 8.280 nan 0.000 0.549 212 S N 0.686 115.879 115.700 -0.846 0.000 2.549 212 S HA 0.470 4.938 4.470 -0.004 0.000 0.283 212 S C 0.271 174.331 174.600 -0.899 0.000 1.320 212 S CA -0.091 57.363 58.200 -1.244 0.000 1.058 212 S CB 1.273 63.341 63.200 -1.886 0.000 0.882 212 S HN 0.421 nan 8.310 nan 0.000 0.498 213 A N 3.024 125.334 122.820 -0.851 0.000 2.959 213 A HA 0.536 4.853 4.320 -0.004 0.000 0.280 213 A C -0.384 176.555 177.584 -1.076 0.000 0.953 213 A CA -0.739 50.719 52.037 -0.965 0.000 1.047 213 A CB -0.511 18.369 19.000 -0.201 0.000 1.147 213 A HN 1.202 nan 8.150 nan 0.000 0.489 214 L N -4.477 115.982 121.223 -1.275 0.000 2.381 214 L HA 0.948 5.285 4.340 -0.004 0.000 0.268 214 L C -1.400 174.979 176.870 -0.820 0.000 0.997 214 L CA -0.962 53.432 54.840 -0.743 0.000 0.818 214 L CB 1.220 43.034 42.059 -0.409 0.000 1.310 214 L HN 0.226 nan 8.230 nan 0.000 0.416 215 W N 2.858 124.183 121.300 0.043 0.000 2.664 215 W HA 0.280 4.938 4.660 -0.004 0.000 0.314 215 W C -1.466 175.246 176.519 0.323 0.000 1.010 215 W CA -0.835 56.657 57.345 0.244 0.000 1.306 215 W CB 1.253 30.921 29.460 0.346 0.000 1.254 215 W HN 0.651 nan 8.180 nan 0.000 0.404 216 W N 2.545 124.038 121.300 0.323 0.000 2.193 216 W HA 0.168 4.825 4.660 -0.004 0.000 0.338 216 W C 1.392 177.742 176.519 -0.281 0.000 1.310 216 W CA 0.517 57.918 57.345 0.093 0.000 1.243 216 W CB 0.676 30.171 29.460 0.057 0.000 1.165 216 W HN 0.182 nan 8.180 nan 0.000 0.566 217 S N 2.716 118.130 115.700 -0.477 0.000 2.593 217 S HA 0.208 4.676 4.470 -0.004 0.000 0.269 217 S C -1.746 172.601 174.600 -0.422 0.000 1.334 217 S CA -1.083 56.300 58.200 -1.362 0.000 1.015 217 S CB 1.251 63.621 63.200 -1.383 0.000 0.912 217 S HN 0.283 nan 8.310 nan 0.000 0.541 218 P HA -0.126 nan 4.420 nan 0.000 0.216 218 P C 0.838 178.109 177.300 -0.048 0.000 1.150 218 P CA 1.468 64.537 63.100 -0.053 0.000 0.843 218 P CB -0.200 31.517 31.700 0.029 0.000 0.787 219 N N -1.885 116.771 118.700 -0.074 0.000 2.230 219 N HA 0.128 4.866 4.740 -0.004 0.000 0.202 219 N C 1.099 176.534 175.510 -0.124 0.000 1.119 219 N CA 0.492 53.495 53.050 -0.079 0.000 0.851 219 N CB -0.725 37.729 38.487 -0.055 0.000 0.990 219 N HN 0.148 nan 8.380 nan 0.000 0.497 220 G N -0.958 107.777 108.800 -0.108 0.000 2.159 220 G HA2 -0.333 3.624 3.960 -0.004 0.000 0.256 220 G HA3 -0.333 3.624 3.960 -0.004 0.000 0.256 220 G C 0.942 175.872 174.900 0.050 0.000 0.977 220 G CA 0.728 45.785 45.100 -0.071 0.000 0.652 220 G HN 0.367 nan 8.290 nan 0.000 0.531 221 T N 0.024 114.520 114.554 -0.096 0.000 2.674 221 T HA 0.154 4.502 4.350 -0.004 0.000 0.265 221 T C 0.903 175.448 174.700 -0.259 0.000 1.039 221 T CA 1.393 63.332 62.100 -0.269 0.000 1.150 221 T CB -0.110 68.435 68.868 -0.537 0.000 0.864 221 T HN 0.297 nan 8.240 nan 0.000 0.427 222 F N 0.278 120.256 119.950 0.047 0.000 2.432 222 F HA 0.620 5.144 4.527 -0.004 0.000 0.329 222 F C -0.158 175.704 175.800 0.103 0.000 1.076 222 F CA -1.646 56.416 58.000 0.102 0.000 1.018 222 F CB 1.019 40.133 39.000 0.190 0.000 1.201 222 F HN -0.089 nan 8.300 nan 0.000 0.489 223 L N 2.628 124.011 121.223 0.267 0.000 2.372 223 L HA 0.804 5.142 4.340 -0.004 0.000 0.274 223 L C -0.669 176.310 176.870 0.181 0.000 0.988 223 L CA -0.508 54.332 54.840 0.002 0.000 0.833 223 L CB 0.837 42.621 42.059 -0.459 0.000 1.236 223 L HN 0.665 nan 8.230 nan 0.000 0.410 224 A N 4.618 127.620 122.820 0.303 0.000 2.303 224 A HA 0.805 5.123 4.320 -0.004 0.000 0.317 224 A C -1.402 176.261 177.584 0.131 0.000 1.149 224 A CA -0.220 51.867 52.037 0.084 0.000 0.822 224 A CB 0.628 19.761 19.000 0.221 0.000 1.131 224 A HN 0.922 nan 8.150 nan 0.000 0.493 225 Y N -1.991 118.092 120.300 -0.361 0.000 2.624 225 Y HA 0.730 5.278 4.550 -0.004 0.000 0.334 225 Y C -0.372 175.398 175.900 -0.216 0.000 1.155 225 Y CA -0.913 57.092 58.100 -0.158 0.000 1.046 225 Y CB 0.804 39.136 38.460 -0.214 0.000 1.316 225 Y HN 0.932 nan 8.280 nan 0.000 0.457 226 A N 2.237 125.150 122.820 0.155 0.000 2.306 226 A HA 0.671 4.989 4.320 -0.004 0.000 0.330 226 A C -1.072 176.404 177.584 -0.180 0.000 1.146 226 A CA -0.809 51.175 52.037 -0.089 0.000 0.827 226 A CB 1.607 20.486 19.000 -0.202 0.000 1.178 226 A HN 0.813 nan 8.150 nan 0.000 0.490 227 Q N 1.194 120.823 119.800 -0.284 0.000 2.330 227 Q HA 0.599 4.937 4.340 -0.004 0.000 0.269 227 Q C -2.079 173.704 176.000 -0.361 0.000 1.022 227 Q CA -0.369 55.358 55.803 -0.127 0.000 0.796 227 Q CB 1.019 29.899 28.738 0.237 0.000 1.271 227 Q HN 0.589 nan 8.270 nan 0.000 0.450 228 F N 2.432 122.492 119.950 0.183 0.000 2.458 228 F HA 0.399 4.924 4.527 -0.004 0.000 0.336 228 F C 0.398 176.361 175.800 0.272 0.000 1.114 228 F CA -0.926 57.169 58.000 0.159 0.000 0.987 228 F CB 1.393 40.410 39.000 0.029 0.000 1.130 228 F HN 0.443 nan 8.300 nan 0.000 0.458 229 N N 2.193 121.120 118.700 0.380 0.000 2.511 229 N HA 0.200 4.937 4.740 -0.004 0.000 0.249 229 N C -0.891 174.797 175.510 0.297 0.000 0.971 229 N CA -0.283 52.946 53.050 0.298 0.000 0.938 229 N CB 0.883 39.490 38.487 0.201 0.000 1.131 229 N HN 0.563 nan 8.380 nan 0.000 0.505 230 D N 1.369 121.967 120.400 0.329 0.000 2.427 230 D HA 0.133 4.771 4.640 -0.004 0.000 0.224 230 D C 1.114 177.534 176.300 0.200 0.000 1.157 230 D CA 0.136 54.309 54.000 0.290 0.000 0.828 230 D CB 0.560 41.600 40.800 0.400 0.000 0.974 230 D HN 0.449 nan 8.370 nan 0.000 0.498 231 T N 0.038 114.687 114.554 0.158 0.000 2.737 231 T HA -0.167 4.180 4.350 -0.004 0.000 0.269 231 T C 1.322 176.078 174.700 0.094 0.000 1.040 231 T CA 1.193 63.359 62.100 0.110 0.000 1.142 231 T CB 0.016 68.937 68.868 0.089 0.000 0.861 231 T HN 0.301 nan 8.240 nan 0.000 0.456 232 E N 0.293 120.551 120.200 0.097 0.000 2.538 232 E HA 0.181 4.529 4.350 -0.004 0.000 0.207 232 E C -0.493 176.158 176.600 0.085 0.000 1.002 232 E CA -0.197 56.250 56.400 0.078 0.000 0.952 232 E CB 0.753 30.492 29.700 0.065 0.000 1.031 232 E HN 0.198 nan 8.360 nan 0.000 0.476 233 V N 3.820 123.799 119.914 0.109 0.000 2.508 233 V HA 0.091 4.208 4.120 -0.004 0.000 0.281 233 V C -2.002 174.151 176.094 0.099 0.000 1.041 233 V CA -1.357 61.012 62.300 0.114 0.000 1.016 233 V CB 0.257 32.169 31.823 0.149 0.000 0.984 233 V HN 0.053 nan 8.190 nan 0.000 0.478 234 P HA 0.308 nan 4.420 nan 0.000 0.272 234 P C -0.786 176.554 177.300 0.067 0.000 1.230 234 P CA -0.364 62.775 63.100 0.065 0.000 0.788 234 P CB 0.540 32.274 31.700 0.057 0.000 0.949 235 L N 1.974 123.214 121.223 0.029 0.000 2.295 235 L HA 0.418 4.756 4.340 -0.004 0.000 0.285 235 L C 0.460 177.286 176.870 -0.073 0.000 1.035 235 L CA -0.966 53.874 54.840 -0.000 0.000 0.806 235 L CB 0.904 42.957 42.059 -0.010 0.000 1.214 235 L HN 0.293 nan 8.230 nan 0.000 0.426 236 I N 2.723 123.202 120.570 -0.152 0.000 2.474 236 I HA 0.157 4.324 4.170 -0.004 0.000 0.287 236 I C -0.220 175.760 176.117 -0.228 0.000 1.048 236 I CA 0.407 61.516 61.300 -0.317 0.000 1.383 236 I CB 0.560 38.089 38.000 -0.785 0.000 1.412 236 I HN 0.573 nan 8.210 nan 0.000 0.531 237 E N 7.498 127.581 120.200 -0.195 0.000 2.224 237 E HA 0.450 4.797 4.350 -0.004 0.000 0.265 237 E C -1.757 174.785 176.600 -0.097 0.000 0.878 237 E CA -0.566 55.723 56.400 -0.185 0.000 0.759 237 E CB 1.918 31.536 29.700 -0.136 0.000 1.164 237 E HN 0.564 nan 8.360 nan 0.000 0.414 238 Y N -1.583 118.632 120.300 -0.142 0.000 2.625 238 Y HA 0.558 5.106 4.550 -0.004 0.000 0.338 238 Y C -0.615 175.214 175.900 -0.119 0.000 1.123 238 Y CA -1.291 56.731 58.100 -0.130 0.000 1.046 238 Y CB 0.893 39.282 38.460 -0.117 0.000 1.299 238 Y HN 0.163 nan 8.280 nan 0.000 0.464 239 S N 1.891 117.573 115.700 -0.030 0.000 2.545 239 S HA 0.450 4.917 4.470 -0.004 0.000 0.275 239 S C -1.388 173.049 174.600 -0.272 0.000 1.299 239 S CA -0.377 57.656 58.200 -0.278 0.000 1.048 239 S CB 0.281 63.169 63.200 -0.520 0.000 0.938 239 S HN 0.530 nan 8.310 nan 0.000 0.496 240 F N 2.494 122.180 119.950 -0.439 0.000 2.477 240 F HA 0.430 4.954 4.527 -0.004 0.000 0.335 240 F C -0.189 175.399 175.800 -0.352 0.000 1.130 240 F CA -0.841 56.988 58.000 -0.285 0.000 0.948 240 F CB 0.835 39.800 39.000 -0.058 0.000 1.154 240 F HN 0.665 nan 8.300 nan 0.000 0.439 241 Y N 2.713 122.817 120.300 -0.326 0.000 2.397 241 Y HA 0.119 4.666 4.550 -0.004 0.000 0.292 241 Y C 1.694 177.522 175.900 -0.119 0.000 1.115 241 Y CA 1.078 59.071 58.100 -0.178 0.000 1.208 241 Y CB -0.441 37.903 38.460 -0.194 0.000 1.046 241 Y HN 0.738 nan 8.280 nan 0.000 0.552 242 S N -0.222 115.386 115.700 -0.154 0.000 3.513 242 S HA -0.223 4.245 4.470 -0.004 0.000 0.636 242 S C -0.630 174.012 174.600 0.070 0.000 2.452 242 S CA 0.213 58.471 58.200 0.096 0.000 2.644 242 S CB -1.202 62.169 63.200 0.285 0.000 0.331 242 S HN 0.442 nan 8.310 nan 0.000 1.787 243 D N 1.889 122.350 120.400 0.103 0.000 2.400 243 D HA 0.198 4.835 4.640 -0.004 0.000 0.238 243 D C 1.469 177.801 176.300 0.053 0.000 1.157 243 D CA 0.634 54.675 54.000 0.069 0.000 0.889 243 D CB 0.243 41.085 40.800 0.071 0.000 1.199 243 D HN 0.683 nan 8.370 nan 0.000 0.436 244 E N -0.188 120.031 120.200 0.032 0.000 2.265 244 E HA -0.204 4.143 4.350 -0.004 0.000 0.196 244 E C 1.234 177.846 176.600 0.020 0.000 0.996 244 E CA 1.165 57.576 56.400 0.017 0.000 0.832 244 E CB -0.049 29.651 29.700 0.001 0.000 0.756 244 E HN 0.328 nan 8.360 nan 0.000 0.491 245 S N 0.639 116.357 115.700 0.030 0.000 2.442 245 S HA -0.130 4.338 4.470 -0.004 0.000 0.236 245 S C 0.991 175.615 174.600 0.040 0.000 1.007 245 S CA 0.151 58.369 58.200 0.030 0.000 0.965 245 S CB -0.383 62.838 63.200 0.035 0.000 0.773 245 S HN 0.312 nan 8.310 nan 0.000 0.504 246 L N 2.598 123.854 121.223 0.056 0.000 2.456 246 L HA 0.259 4.597 4.340 -0.004 0.000 0.277 246 L C 1.426 178.328 176.870 0.053 0.000 1.124 246 L CA 0.157 55.041 54.840 0.074 0.000 0.880 246 L CB 0.444 42.564 42.059 0.102 0.000 1.192 246 L HN 0.296 nan 8.230 nan 0.000 0.463 247 Q N 3.974 123.803 119.800 0.049 0.000 2.046 247 Q HA -0.100 4.237 4.340 -0.004 0.000 0.200 247 Q C -0.456 175.447 176.000 -0.163 0.000 0.975 247 Q CA 1.370 57.142 55.803 -0.052 0.000 0.836 247 Q CB 0.107 28.827 28.738 -0.030 0.000 0.896 247 Q HN 0.668 nan 8.270 nan 0.000 0.428 248 Y N 0.811 121.128 120.300 0.029 0.000 2.331 248 Y HA 0.373 4.921 4.550 -0.004 0.000 0.338 248 Y C -1.997 173.920 175.900 0.028 0.000 0.992 248 Y CA -2.912 55.203 58.100 0.024 0.000 1.121 248 Y CB 1.219 39.684 38.460 0.009 0.000 1.184 248 Y HN 0.188 nan 8.280 nan 0.000 0.469 249 P HA 0.033 nan 4.420 nan 0.000 0.269 249 P C -0.776 176.544 177.300 0.035 0.000 1.215 249 P CA -0.573 62.562 63.100 0.058 0.000 0.780 249 P CB 0.710 32.390 31.700 -0.033 0.000 0.898 250 K N 1.093 121.497 120.400 0.006 0.000 2.143 250 K HA 0.292 4.609 4.320 -0.004 0.000 0.272 250 K C -0.755 175.802 176.600 -0.072 0.000 1.001 250 K CA -0.273 56.014 56.287 -0.001 0.000 0.915 250 K CB 0.483 33.010 32.500 0.044 0.000 1.047 250 K HN 0.337 nan 8.250 nan 0.000 0.458 251 T N 3.325 117.822 114.554 -0.094 0.000 2.733 251 T HA 0.184 4.531 4.350 -0.004 0.000 0.294 251 T C -0.359 174.217 174.700 -0.206 0.000 0.956 251 T CA -0.588 61.420 62.100 -0.153 0.000 0.987 251 T CB 0.898 69.691 68.868 -0.124 0.000 0.920 251 T HN 0.300 nan 8.240 nan 0.000 0.470 252 V N 5.788 125.485 119.914 -0.361 0.000 2.488 252 V HA 0.368 4.486 4.120 -0.004 0.000 0.277 252 V C 0.452 176.279 176.094 -0.444 0.000 1.046 252 V CA -0.379 61.653 62.300 -0.448 0.000 0.986 252 V CB 0.534 31.922 31.823 -0.724 0.000 0.989 252 V HN 0.726 nan 8.190 nan 0.000 0.475 253 R N 3.657 124.029 120.500 -0.213 0.000 2.476 253 R HA 0.738 5.076 4.340 -0.004 0.000 0.305 253 R C -1.619 174.674 176.300 -0.011 0.000 0.965 253 R CA -0.548 55.473 56.100 -0.130 0.000 0.867 253 R CB 2.220 32.472 30.300 -0.080 0.000 1.176 253 R HN 0.505 nan 8.270 nan 0.000 0.447 254 V N 3.945 123.856 119.914 -0.004 0.000 2.577 254 V HA 0.353 4.471 4.120 -0.004 0.000 0.303 254 V C -2.377 173.775 176.094 0.097 0.000 1.042 254 V CA -2.476 59.888 62.300 0.106 0.000 0.872 254 V CB 2.150 33.996 31.823 0.039 0.000 0.998 254 V HN 0.618 nan 8.190 nan 0.000 0.423 255 P HA 0.139 nan 4.420 nan 0.000 0.264 255 P C -1.307 176.101 177.300 0.180 0.000 1.229 255 P CA 0.376 63.588 63.100 0.186 0.000 0.780 255 P CB -0.203 31.653 31.700 0.260 0.000 0.808 256 Y N 6.439 126.720 120.300 -0.033 0.000 2.301 256 Y HA 0.378 4.926 4.550 -0.004 0.000 0.325 256 Y C -2.756 173.115 175.900 -0.049 0.000 1.103 256 Y CA -2.839 55.184 58.100 -0.128 0.000 1.182 256 Y CB 1.819 40.088 38.460 -0.319 0.000 1.139 256 Y HN 0.273 nan 8.280 nan 0.000 0.443 257 P HA 0.279 nan 4.420 nan 0.000 0.287 257 P C -0.877 176.485 177.300 0.102 0.000 1.307 257 P CA -0.248 62.899 63.100 0.079 0.000 0.777 257 P CB 1.434 33.165 31.700 0.052 0.000 0.883 258 K N 1.923 122.457 120.400 0.223 0.000 2.120 258 K HA 0.512 4.830 4.320 -0.004 0.000 0.245 258 K C 0.543 177.245 176.600 0.170 0.000 1.024 258 K CA -0.699 55.735 56.287 0.245 0.000 0.906 258 K CB 0.473 33.127 32.500 0.257 0.000 1.051 258 K HN 0.457 nan 8.250 nan 0.000 0.491 259 A N 0.691 123.637 122.820 0.210 0.000 2.548 259 A HA 0.316 4.633 4.320 -0.004 0.000 0.247 259 A C 1.147 178.768 177.584 0.061 0.000 1.067 259 A CA 0.924 53.072 52.037 0.185 0.000 0.757 259 A CB -1.137 18.072 19.000 0.348 0.000 0.996 259 A HN 0.886 nan 8.150 nan 0.000 0.504 260 G N 0.954 109.777 108.800 0.038 0.000 2.205 260 G HA2 0.105 4.062 3.960 -0.004 0.000 0.261 260 G HA3 0.105 4.062 3.960 -0.004 0.000 0.261 260 G C 0.674 175.584 174.900 0.017 0.000 0.980 260 G CA 0.668 45.763 45.100 -0.009 0.000 0.632 260 G HN 2.151 nan 8.290 nan 0.000 0.533 261 A N -0.291 122.558 122.820 0.048 0.000 2.280 261 A HA 0.721 5.038 4.320 -0.004 0.000 0.268 261 A C 0.879 178.495 177.584 0.054 0.000 1.111 261 A CA 0.324 52.393 52.037 0.055 0.000 0.814 261 A CB 0.670 19.718 19.000 0.080 0.000 1.093 261 A HN 1.169 nan 8.150 nan 0.000 0.498 262 V N 2.606 122.552 119.914 0.055 0.000 2.485 262 V HA 0.006 4.123 4.120 -0.004 0.000 0.287 262 V C 0.380 176.520 176.094 0.077 0.000 1.022 262 V CA -0.017 62.316 62.300 0.056 0.000 1.067 262 V CB -0.368 31.489 31.823 0.055 0.000 0.967 262 V HN 0.799 nan 8.190 nan 0.000 0.479 263 N N 6.625 125.370 118.700 0.075 0.000 2.463 263 N HA 0.429 5.166 4.740 -0.004 0.000 0.270 263 N C -2.337 173.260 175.510 0.146 0.000 1.205 263 N CA -1.505 51.612 53.050 0.113 0.000 0.974 263 N CB 0.887 39.432 38.487 0.097 0.000 1.197 263 N HN 0.391 nan 8.380 nan 0.000 0.504 264 P HA 0.057 nan 4.420 nan 0.000 0.269 264 P C -0.368 177.098 177.300 0.277 0.000 1.215 264 P CA -0.101 63.172 63.100 0.288 0.000 0.780 264 P CB 0.284 32.227 31.700 0.403 0.000 0.898 265 T N -1.250 113.442 114.554 0.232 0.000 2.944 265 T HA 0.578 4.926 4.350 -0.004 0.000 0.284 265 T C -0.277 174.562 174.700 0.232 0.000 1.010 265 T CA -0.823 61.373 62.100 0.160 0.000 1.025 265 T CB 1.468 70.390 68.868 0.089 0.000 1.079 265 T HN 0.335 nan 8.240 nan 0.000 0.516 266 V N 0.592 120.615 119.914 0.182 0.000 2.888 266 V HA 0.717 4.834 4.120 -0.004 0.000 0.309 266 V C -1.476 174.700 176.094 0.137 0.000 1.114 266 V CA -0.816 61.557 62.300 0.122 0.000 0.940 266 V CB 2.042 33.989 31.823 0.206 0.000 1.021 266 V HN 1.072 nan 8.190 nan 0.000 0.426 267 K N 4.584 124.996 120.400 0.021 0.000 2.395 267 K HA 0.630 4.948 4.320 -0.004 0.000 0.247 267 K C -1.902 174.602 176.600 -0.160 0.000 0.973 267 K CA -0.575 55.686 56.287 -0.044 0.000 0.828 267 K CB 2.847 35.282 32.500 -0.108 0.000 1.272 267 K HN 0.547 nan 8.250 nan 0.000 0.439 268 F N 1.798 121.410 119.950 -0.562 0.000 2.540 268 F HA 0.562 5.087 4.527 -0.004 0.000 0.317 268 F C -1.598 173.643 175.800 -0.931 0.000 1.104 268 F CA -0.698 56.969 58.000 -0.556 0.000 0.913 268 F CB 0.942 39.754 39.000 -0.314 0.000 1.170 268 F HN 0.384 nan 8.300 nan 0.000 0.450 269 F N 3.979 123.175 119.950 -1.257 0.000 2.599 269 F HA 0.753 5.278 4.527 -0.004 0.000 0.311 269 F C -1.012 174.131 175.800 -1.095 0.000 1.076 269 F CA -1.250 56.145 58.000 -1.007 0.000 0.937 269 F CB 2.107 40.464 39.000 -1.071 0.000 1.282 269 F HN 0.133 nan 8.300 nan 0.000 0.460 270 V N 2.612 122.301 119.914 -0.375 0.000 2.577 270 V HA 0.568 4.685 4.120 -0.004 0.000 0.303 270 V C -0.982 175.194 176.094 0.136 0.000 1.042 270 V CA -0.844 61.330 62.300 -0.211 0.000 0.872 270 V CB 1.794 33.300 31.823 -0.527 0.000 0.998 270 V HN 0.626 nan 8.190 nan 0.000 0.423 271 V N 4.309 124.369 119.914 0.242 0.000 2.581 271 V HA 0.495 4.613 4.120 -0.004 0.000 0.303 271 V C 0.122 176.442 176.094 0.376 0.000 1.041 271 V CA -0.597 61.877 62.300 0.290 0.000 0.907 271 V CB 1.885 33.825 31.823 0.196 0.000 0.994 271 V HN 1.012 nan 8.190 nan 0.000 0.442 272 N N 3.169 122.072 118.700 0.338 0.000 2.439 272 N HA 0.114 4.851 4.740 -0.004 0.000 0.243 272 N C 1.286 176.810 175.510 0.023 0.000 1.088 272 N CA 0.369 53.514 53.050 0.159 0.000 0.940 272 N CB 0.980 39.535 38.487 0.113 0.000 1.180 272 N HN 0.907 nan 8.380 nan 0.000 0.505 273 T N 0.222 114.781 114.554 0.009 0.000 2.962 273 T HA -0.098 4.250 4.350 -0.004 0.000 0.270 273 T C 1.008 175.669 174.700 -0.065 0.000 1.088 273 T CA 0.900 63.001 62.100 0.001 0.000 1.127 273 T CB 0.007 68.967 68.868 0.153 0.000 0.883 273 T HN 0.353 nan 8.240 nan 0.000 0.493 274 D N 1.858 122.198 120.400 -0.099 0.000 2.310 274 D HA -0.029 4.608 4.640 -0.004 0.000 0.212 274 D C 2.251 178.491 176.300 -0.100 0.000 0.965 274 D CA 1.307 55.242 54.000 -0.108 0.000 0.879 274 D CB -0.211 40.501 40.800 -0.146 0.000 0.921 274 D HN 0.695 nan 8.370 nan 0.000 0.510 275 S N -0.797 114.847 115.700 -0.093 0.000 2.575 275 S HA 0.090 4.558 4.470 -0.004 0.000 0.215 275 S C 1.975 176.501 174.600 -0.124 0.000 0.966 275 S CA -0.206 57.952 58.200 -0.070 0.000 0.911 275 S CB -0.203 62.987 63.200 -0.016 0.000 0.780 275 S HN 0.167 nan 8.310 nan 0.000 0.514 276 L N 2.326 123.404 121.223 -0.241 0.000 2.079 276 L HA -0.090 4.247 4.340 -0.004 0.000 0.210 276 L C 2.814 179.367 176.870 -0.528 0.000 1.081 276 L CA 1.597 56.135 54.840 -0.503 0.000 0.752 276 L CB -0.701 40.802 42.059 -0.927 0.000 0.896 276 L HN 0.587 nan 8.230 nan 0.000 0.433 277 S N -2.861 112.643 115.700 -0.326 0.000 2.603 277 S HA 0.042 4.509 4.470 -0.004 0.000 0.220 277 S C 1.632 176.242 174.600 0.017 0.000 0.967 277 S CA 0.459 58.630 58.200 -0.049 0.000 0.920 277 S CB 0.342 63.578 63.200 0.060 0.000 0.773 277 S HN 0.235 nan 8.310 nan 0.000 0.529 278 S N 0.628 116.315 115.700 -0.022 0.000 2.506 278 S HA 0.337 4.805 4.470 -0.004 0.000 0.219 278 S C 0.489 175.102 174.600 0.022 0.000 1.031 278 S CA 0.156 58.361 58.200 0.009 0.000 0.911 278 S CB 0.678 63.879 63.200 0.001 0.000 0.812 278 S HN 0.650 nan 8.310 nan 0.000 0.497 279 V N -0.457 119.466 119.914 0.016 0.000 2.823 279 V HA 0.591 4.709 4.120 -0.004 0.000 0.312 279 V C 1.172 177.301 176.094 0.059 0.000 1.072 279 V CA -0.435 61.885 62.300 0.034 0.000 0.937 279 V CB 1.196 33.038 31.823 0.030 0.000 1.013 279 V HN 0.111 nan 8.190 nan 0.000 0.430 280 T N 1.369 115.962 114.554 0.065 0.000 2.788 280 T HA -0.109 4.238 4.350 -0.004 0.000 0.268 280 T C 0.815 175.585 174.700 0.115 0.000 1.044 280 T CA 2.208 64.362 62.100 0.090 0.000 1.139 280 T CB -0.484 68.418 68.868 0.058 0.000 0.867 280 T HN 0.912 nan 8.240 nan 0.000 0.454 281 N N 0.491 119.240 118.700 0.081 0.000 2.685 281 N HA 0.479 5.216 4.740 -0.004 0.000 0.252 281 N C -1.012 174.547 175.510 0.081 0.000 1.261 281 N CA -0.048 53.059 53.050 0.096 0.000 0.768 281 N CB 1.058 39.537 38.487 -0.012 0.000 1.304 281 N HN 0.423 nan 8.380 nan 0.000 0.536 282 A N 1.629 124.505 122.820 0.093 0.000 2.511 282 A HA 0.366 4.683 4.320 -0.004 0.000 0.242 282 A C 0.298 177.945 177.584 0.105 0.000 1.069 282 A CA 0.287 52.371 52.037 0.079 0.000 0.763 282 A CB -0.101 18.926 19.000 0.045 0.000 1.001 282 A HN 0.515 nan 8.150 nan 0.000 0.498 283 T N 2.702 117.324 114.554 0.114 0.000 2.794 283 T HA 0.296 4.643 4.350 -0.004 0.000 0.296 283 T C 0.434 175.236 174.700 0.169 0.000 0.949 283 T CA 0.085 62.263 62.100 0.129 0.000 1.101 283 T CB 0.579 69.524 68.868 0.129 0.000 0.905 283 T HN 0.539 nan 8.240 nan 0.000 0.516 284 S N 4.092 119.885 115.700 0.155 0.000 2.422 284 S HA 0.252 4.720 4.470 -0.004 0.000 0.283 284 S C 0.431 175.191 174.600 0.268 0.000 1.163 284 S CA -0.724 57.587 58.200 0.185 0.000 1.054 284 S CB -0.139 63.103 63.200 0.069 0.000 0.967 284 S HN 0.436 nan 8.310 nan 0.000 0.499 285 I N 3.620 124.355 120.570 0.275 0.000 2.371 285 I HA 0.203 4.371 4.170 -0.004 0.000 0.290 285 I C 0.739 176.965 176.117 0.182 0.000 1.028 285 I CA -0.129 61.336 61.300 0.275 0.000 1.345 285 I CB 0.494 38.729 38.000 0.392 0.000 1.407 285 I HN 0.628 nan 8.210 nan 0.000 0.501 286 Q N 6.003 125.880 119.800 0.128 0.000 2.288 286 Q HA 0.417 4.755 4.340 -0.004 0.000 0.254 286 Q C -0.922 175.023 176.000 -0.092 0.000 0.932 286 Q CA -0.345 55.345 55.803 -0.188 0.000 0.902 286 Q CB 1.091 29.676 28.738 -0.255 0.000 1.203 286 Q HN 0.542 nan 8.270 nan 0.000 0.415 287 I N 4.172 124.675 120.570 -0.112 0.000 2.359 287 I HA 0.178 4.345 4.170 -0.004 0.000 0.284 287 I C 0.294 176.412 176.117 0.001 0.000 1.018 287 I CA -0.700 60.607 61.300 0.011 0.000 1.173 287 I CB 1.281 39.324 38.000 0.073 0.000 1.326 287 I HN 0.653 nan 8.210 nan 0.000 0.462 288 T N 2.969 117.478 114.554 -0.075 0.000 2.918 288 T HA 0.562 4.910 4.350 -0.004 0.000 0.302 288 T C 0.499 175.000 174.700 -0.333 0.000 1.045 288 T CA -0.835 61.162 62.100 -0.172 0.000 1.114 288 T CB 1.431 70.201 68.868 -0.163 0.000 0.965 288 T HN 0.582 nan 8.240 nan 0.000 0.540 289 A N 4.154 126.531 122.820 -0.738 0.000 2.466 289 A HA 0.509 4.827 4.320 -0.004 0.000 0.238 289 A C -1.734 175.372 177.584 -0.797 0.000 1.074 289 A CA -1.352 49.820 52.037 -1.441 0.000 0.774 289 A CB -0.746 17.080 19.000 -1.957 0.000 1.015 289 A HN 0.817 nan 8.150 nan 0.000 0.498 290 P HA 0.153 nan 4.420 nan 0.000 0.270 290 P C 0.781 177.875 177.300 -0.343 0.000 1.223 290 P CA 0.544 63.416 63.100 -0.381 0.000 0.785 290 P CB 0.674 32.216 31.700 -0.264 0.000 0.923 291 A N 2.336 125.024 122.820 -0.220 0.000 1.986 291 A HA -0.217 4.101 4.320 -0.004 0.000 0.220 291 A C 2.177 179.661 177.584 -0.165 0.000 1.171 291 A CA 2.443 54.375 52.037 -0.175 0.000 0.640 291 A CB -1.739 17.191 19.000 -0.118 0.000 0.811 291 A HN 0.675 nan 8.150 nan 0.000 0.451 292 S N -1.656 113.960 115.700 -0.140 0.000 2.481 292 S HA -0.025 4.443 4.470 -0.004 0.000 0.231 292 S C 1.707 176.234 174.600 -0.123 0.000 0.996 292 S CA 1.355 59.498 58.200 -0.096 0.000 0.942 292 S CB -0.219 62.992 63.200 0.019 0.000 0.768 292 S HN 0.403 nan 8.310 nan 0.000 0.520 293 M N 0.755 120.210 119.600 -0.242 0.000 2.552 293 M HA 0.370 4.848 4.480 -0.004 0.000 0.264 293 M C 1.955 178.007 176.300 -0.413 0.000 1.159 293 M CA 0.630 55.716 55.300 -0.357 0.000 1.176 293 M CB -1.092 31.114 32.600 -0.656 0.000 1.327 293 M HN 0.318 nan 8.290 nan 0.000 0.481 294 L N 1.007 121.984 121.223 -0.410 0.000 2.265 294 L HA -0.149 4.189 4.340 -0.004 0.000 0.215 294 L C 2.321 179.140 176.870 -0.084 0.000 1.117 294 L CA 0.668 55.368 54.840 -0.233 0.000 0.782 294 L CB -0.891 41.033 42.059 -0.225 0.000 0.914 294 L HN 0.305 nan 8.230 nan 0.000 0.441 295 I N -2.319 118.195 120.570 -0.093 0.000 2.530 295 I HA -0.002 4.165 4.170 -0.004 0.000 0.257 295 I C 1.148 177.249 176.117 -0.026 0.000 1.179 295 I CA 1.007 62.271 61.300 -0.059 0.000 1.440 295 I CB -0.619 37.335 38.000 -0.077 0.000 1.087 295 I HN 0.118 nan 8.210 nan 0.000 0.440 296 G N -0.107 108.698 108.800 0.008 0.000 2.782 296 G HA2 0.321 4.278 3.960 -0.004 0.000 0.304 296 G HA3 0.321 4.278 3.960 -0.004 0.000 0.304 296 G C -1.760 173.189 174.900 0.080 0.000 1.315 296 G CA -0.581 44.532 45.100 0.021 0.000 0.791 296 G HN 0.028 nan 8.290 nan 0.000 0.519 297 D N 1.141 121.537 120.400 -0.007 0.000 2.443 297 D HA 0.402 5.040 4.640 -0.004 0.000 0.239 297 D C 0.447 176.677 176.300 -0.117 0.000 1.136 297 D CA 0.792 54.723 54.000 -0.116 0.000 0.879 297 D CB 0.406 41.114 40.800 -0.154 0.000 1.195 297 D HN 0.554 nan 8.370 nan 0.000 0.443 298 H N -0.967 117.950 119.070 -0.254 0.000 2.918 298 H HA 0.437 4.991 4.556 -0.004 0.000 0.303 298 H C -1.404 173.743 175.328 -0.301 0.000 1.380 298 H CA -0.828 55.071 56.048 -0.249 0.000 1.134 298 H CB 0.341 30.096 29.762 -0.012 0.000 1.842 298 H HN 0.311 nan 8.280 nan 0.000 0.533 299 Y N 0.031 120.585 120.300 0.423 0.000 2.545 299 Y HA 0.387 4.935 4.550 -0.004 0.000 0.348 299 Y C -0.352 175.867 175.900 0.532 0.000 1.002 299 Y CA -1.139 57.221 58.100 0.434 0.000 1.039 299 Y CB 1.942 40.499 38.460 0.161 0.000 1.271 299 Y HN 0.470 nan 8.280 nan 0.000 0.467 300 L N 3.178 124.789 121.223 0.648 0.000 2.281 300 L HA 0.345 4.682 4.340 -0.004 0.000 0.285 300 L C 0.503 177.461 176.870 0.146 0.000 1.074 300 L CA -0.104 54.782 54.840 0.077 0.000 0.817 300 L CB 0.304 42.282 42.059 -0.135 0.000 1.168 300 L HN 1.012 nan 8.230 nan 0.000 0.434 301 C N 1.330 120.555 119.300 -0.125 0.000 3.403 301 C HA 0.491 4.948 4.460 -0.004 0.000 0.317 301 C C 0.239 175.050 174.990 -0.299 0.000 1.346 301 C CA -0.420 58.435 59.018 -0.271 0.000 1.743 301 C CB -0.531 27.114 27.740 -0.159 0.000 2.308 301 C HN 0.835 nan 8.230 nan 0.000 0.675 302 D N 0.338 120.606 120.400 -0.221 0.000 2.803 302 D HA 0.476 5.114 4.640 -0.004 0.000 0.218 302 D C -1.841 174.203 176.300 -0.426 0.000 1.245 302 D CA 0.114 54.013 54.000 -0.169 0.000 0.821 302 D CB 2.897 43.585 40.800 -0.187 0.000 1.626 302 D HN 0.076 nan 8.370 nan 0.000 0.487 303 V N 2.326 121.922 119.914 -0.530 0.000 2.525 303 V HA 0.557 4.675 4.120 -0.004 0.000 0.299 303 V C -0.478 175.225 176.094 -0.652 0.000 1.034 303 V CA -0.425 61.303 62.300 -0.954 0.000 0.863 303 V CB 1.955 32.642 31.823 -1.893 0.000 0.999 303 V HN 0.640 nan 8.190 nan 0.000 0.423 304 T N 3.360 117.620 114.554 -0.489 0.000 3.143 304 T HA 0.345 4.692 4.350 -0.004 0.000 0.312 304 T C -0.919 173.647 174.700 -0.224 0.000 0.986 304 T CA -0.483 61.502 62.100 -0.192 0.000 1.024 304 T CB 0.831 69.667 68.868 -0.052 0.000 1.030 304 T HN 0.524 nan 8.240 nan 0.000 0.448 305 W N 2.016 123.262 121.300 -0.091 0.000 2.190 305 W HA 0.483 5.140 4.660 -0.004 0.000 0.330 305 W C 1.132 177.529 176.519 -0.204 0.000 1.299 305 W CA -0.259 57.023 57.345 -0.106 0.000 1.215 305 W CB 0.604 30.087 29.460 0.038 0.000 1.147 305 W HN 0.843 nan 8.180 nan 0.000 0.563 306 A N 1.767 124.476 122.820 -0.184 0.000 1.963 306 A HA 0.218 4.536 4.320 -0.004 0.000 0.207 306 A C 0.839 178.377 177.584 -0.076 0.000 1.243 306 A CA 1.428 53.116 52.037 -0.582 0.000 0.728 306 A CB -0.279 17.826 19.000 -1.493 0.000 0.895 306 A HN 0.529 nan 8.150 nan 0.000 0.467 307 T N -5.539 109.076 114.554 0.102 0.000 2.654 307 T HA 0.335 4.682 4.350 -0.004 0.000 0.289 307 T C 0.168 175.039 174.700 0.286 0.000 1.062 307 T CA -0.317 61.888 62.100 0.176 0.000 1.041 307 T CB 0.643 69.598 68.868 0.145 0.000 1.417 307 T HN -0.066 nan 8.240 nan 0.000 0.510 308 Q N 0.392 120.324 119.800 0.220 0.000 2.234 308 Q HA -0.010 4.327 4.340 -0.004 0.000 0.206 308 Q C 0.835 177.108 176.000 0.455 0.000 0.980 308 Q CA 1.606 57.547 55.803 0.230 0.000 0.869 308 Q CB -0.175 28.658 28.738 0.158 0.000 0.912 308 Q HN 0.840 nan 8.270 nan 0.000 0.436 309 E N -0.413 120.061 120.200 0.457 0.000 2.921 309 E HA 0.205 4.552 4.350 -0.004 0.000 0.203 309 E C -0.298 176.589 176.600 0.478 0.000 0.975 309 E CA -0.170 56.519 56.400 0.481 0.000 1.225 309 E CB 1.044 30.924 29.700 0.301 0.000 1.048 309 E HN -0.040 nan 8.360 nan 0.000 0.477 310 R N 1.657 122.465 120.500 0.514 0.000 2.515 310 R HA 0.486 4.824 4.340 -0.004 0.000 0.291 310 R C -1.749 174.585 176.300 0.056 0.000 1.046 310 R CA -0.405 55.856 56.100 0.267 0.000 0.914 310 R CB 1.257 31.600 30.300 0.071 0.000 1.191 310 R HN 0.068 nan 8.270 nan 0.000 0.435 311 I N 3.187 123.607 120.570 -0.250 0.000 2.569 311 I HA 0.444 4.611 4.170 -0.004 0.000 0.296 311 I C -0.758 175.037 176.117 -0.536 0.000 1.028 311 I CA -0.532 60.328 61.300 -0.732 0.000 1.082 311 I CB 2.185 39.259 38.000 -1.543 0.000 1.264 311 I HN 0.839 nan 8.210 nan 0.000 0.429 312 S N 7.663 123.037 115.700 -0.543 0.000 2.501 312 S HA 0.761 5.229 4.470 -0.004 0.000 0.301 312 S C -1.043 173.230 174.600 -0.546 0.000 1.096 312 S CA -0.708 57.248 58.200 -0.406 0.000 1.063 312 S CB 1.528 64.610 63.200 -0.196 0.000 1.042 312 S HN 0.545 nan 8.310 nan 0.000 0.494 313 L N 2.066 122.979 121.223 -0.518 0.000 2.408 313 L HA 0.556 4.894 4.340 -0.004 0.000 0.268 313 L C -0.424 176.125 176.870 -0.535 0.000 0.986 313 L CA -0.732 53.683 54.840 -0.708 0.000 0.820 313 L CB 2.144 43.657 42.059 -0.911 0.000 1.303 313 L HN 0.680 nan 8.230 nan 0.000 0.411 314 Q N 1.578 121.033 119.800 -0.575 0.000 2.316 314 Q HA 0.455 4.793 4.340 -0.004 0.000 0.264 314 Q C -1.718 174.029 176.000 -0.422 0.000 0.987 314 Q CA -0.539 55.048 55.803 -0.359 0.000 0.852 314 Q CB 2.443 31.038 28.738 -0.239 0.000 1.287 314 Q HN 0.420 nan 8.270 nan 0.000 0.448 315 W N 2.355 123.606 121.300 -0.081 0.000 2.689 315 W HA 0.618 5.275 4.660 -0.004 0.000 0.340 315 W C -0.931 175.619 176.519 0.051 0.000 1.060 315 W CA -0.685 56.661 57.345 0.002 0.000 1.218 315 W CB 1.116 30.551 29.460 -0.041 0.000 1.410 315 W HN 0.372 nan 8.180 nan 0.000 0.528 316 L N 2.804 124.259 121.223 0.386 0.000 2.410 316 L HA 0.553 4.890 4.340 -0.004 0.000 0.270 316 L C -0.056 177.017 176.870 0.339 0.000 0.983 316 L CA -1.158 53.872 54.840 0.317 0.000 0.822 316 L CB 1.290 43.519 42.059 0.284 0.000 1.285 316 L HN 0.393 nan 8.230 nan 0.000 0.409 317 R N 2.707 123.367 120.500 0.267 0.000 2.734 317 R HA 0.159 4.497 4.340 -0.004 0.000 0.266 317 R C 1.082 177.457 176.300 0.124 0.000 1.044 317 R CA -0.064 56.141 56.100 0.175 0.000 1.128 317 R CB 0.491 30.882 30.300 0.152 0.000 1.010 317 R HN 0.652 nan 8.270 nan 0.000 0.461 318 R N 1.490 121.964 120.500 -0.042 0.000 2.117 318 R HA -0.112 4.225 4.340 -0.004 0.000 0.243 318 R C 0.425 176.785 176.300 0.100 0.000 1.143 318 R CA 1.184 57.256 56.100 -0.046 0.000 0.968 318 R CB 0.125 30.343 30.300 -0.136 0.000 0.863 318 R HN 0.391 nan 8.270 nan 0.000 0.444 319 I N 2.727 123.338 120.570 0.069 0.000 2.329 319 I HA -0.013 4.155 4.170 -0.004 0.000 0.295 319 I C 0.347 176.529 176.117 0.108 0.000 1.109 319 I CA 0.576 61.919 61.300 0.072 0.000 1.297 319 I CB 0.900 38.926 38.000 0.042 0.000 1.433 319 I HN 0.268 nan 8.210 nan 0.000 0.509 320 Q N 4.387 124.248 119.800 0.101 0.000 2.292 320 Q HA -0.016 4.322 4.340 -0.004 0.000 0.247 320 Q C 0.605 176.684 176.000 0.133 0.000 0.911 320 Q CA 0.016 55.893 55.803 0.123 0.000 0.948 320 Q CB -0.163 28.606 28.738 0.052 0.000 1.093 320 Q HN 0.630 nan 8.270 nan 0.000 0.428 321 N N -0.825 117.955 118.700 0.134 0.000 2.214 321 N HA -0.036 4.701 4.740 -0.004 0.000 0.214 321 N C -1.008 174.612 175.510 0.184 0.000 1.132 321 N CA -0.157 52.965 53.050 0.119 0.000 0.856 321 N CB 0.273 38.804 38.487 0.074 0.000 1.020 321 N HN 0.166 nan 8.380 nan 0.000 0.509 322 Y N -0.073 120.255 120.300 0.047 0.000 2.362 322 Y HA 0.542 5.090 4.550 -0.004 0.000 0.326 322 Y C -1.243 174.696 175.900 0.066 0.000 1.083 322 Y CA -0.824 57.303 58.100 0.045 0.000 1.073 322 Y CB 1.708 40.186 38.460 0.031 0.000 1.211 322 Y HN 0.010 nan 8.280 nan 0.000 0.433 323 S N 4.254 119.830 115.700 -0.207 0.000 2.548 323 S HA 0.887 5.355 4.470 -0.004 0.000 0.286 323 S C -2.002 172.477 174.600 -0.201 0.000 1.098 323 S CA -0.505 57.642 58.200 -0.088 0.000 0.930 323 S CB 1.403 64.585 63.200 -0.031 0.000 1.070 323 S HN 0.447 nan 8.310 nan 0.000 0.480 324 V N 4.770 124.667 119.914 -0.028 0.000 2.577 324 V HA 0.508 4.625 4.120 -0.004 0.000 0.303 324 V C -0.290 175.836 176.094 0.053 0.000 1.042 324 V CA -0.632 61.662 62.300 -0.011 0.000 0.872 324 V CB 1.712 33.556 31.823 0.036 0.000 0.998 324 V HN 0.951 nan 8.190 nan 0.000 0.423 325 M N 3.990 123.592 119.600 0.003 0.000 2.113 325 M HA 0.471 4.949 4.480 -0.004 0.000 0.352 325 M C -1.117 175.197 176.300 0.023 0.000 1.170 325 M CA -0.279 55.002 55.300 -0.031 0.000 1.053 325 M CB 0.840 33.363 32.600 -0.128 0.000 1.601 325 M HN 0.605 nan 8.290 nan 0.000 0.459 326 D N 5.398 125.808 120.400 0.017 0.000 2.175 326 D HA 0.496 5.133 4.640 -0.004 0.000 0.248 326 D C -0.829 175.441 176.300 -0.050 0.000 1.047 326 D CA 0.021 54.028 54.000 0.010 0.000 0.883 326 D CB 1.686 42.515 40.800 0.048 0.000 1.180 326 D HN 0.597 nan 8.370 nan 0.000 0.438 327 I N 2.206 122.772 120.570 -0.007 0.000 2.411 327 I HA 0.257 4.425 4.170 -0.004 0.000 0.284 327 I C -0.654 175.463 176.117 0.001 0.000 1.012 327 I CA -0.542 60.746 61.300 -0.019 0.000 1.119 327 I CB 1.250 39.297 38.000 0.077 0.000 1.261 327 I HN 0.155 nan 8.210 nan 0.000 0.448 328 c N 3.836 122.425 118.600 -0.018 0.000 2.379 328 c HA 0.522 5.089 4.570 -0.004 0.000 0.323 328 c C -0.319 173.921 174.090 0.251 0.000 1.262 328 c CA -0.769 55.620 56.329 0.100 0.000 1.581 328 c CB 0.954 43.520 42.510 0.093 0.000 2.221 328 c HN 0.575 nan 8.230 nan 0.000 0.497 329 D N 0.639 121.157 120.400 0.196 0.000 2.192 329 D HA 0.289 4.926 4.640 -0.004 0.000 0.246 329 D C -0.505 175.693 176.300 -0.169 0.000 1.042 329 D CA -0.196 53.864 54.000 0.101 0.000 0.847 329 D CB 0.764 41.578 40.800 0.024 0.000 1.186 329 D HN 0.567 nan 8.370 nan 0.000 0.461 330 Y N 1.614 121.458 120.300 -0.760 0.000 2.526 330 Y HA 0.157 4.704 4.550 -0.004 0.000 0.330 330 Y C -0.096 175.498 175.900 -0.510 0.000 1.156 330 Y CA -0.059 57.309 58.100 -1.222 0.000 1.419 330 Y CB 0.581 38.286 38.460 -1.260 0.000 1.250 330 Y HN 0.181 nan 8.280 nan 0.000 0.540 331 D N 5.347 125.099 120.400 -1.079 0.000 2.427 331 D HA 0.106 4.744 4.640 -0.004 0.000 0.226 331 D C 0.741 176.488 176.300 -0.922 0.000 1.076 331 D CA -0.149 53.424 54.000 -0.712 0.000 0.849 331 D CB 0.761 41.304 40.800 -0.428 0.000 1.052 331 D HN 0.820 nan 8.370 nan 0.000 0.515 332 E N 1.678 121.526 120.200 -0.587 0.000 2.160 332 E HA -0.187 4.161 4.350 -0.004 0.000 0.195 332 E C 1.243 177.731 176.600 -0.187 0.000 0.991 332 E CA 1.163 57.380 56.400 -0.305 0.000 0.810 332 E CB 0.337 30.023 29.700 -0.025 0.000 0.742 332 E HN 0.519 nan 8.360 nan 0.000 0.466 333 S N -0.966 114.625 115.700 -0.182 0.000 2.524 333 S HA -0.003 4.465 4.470 -0.004 0.000 0.216 333 S C 1.764 176.304 174.600 -0.100 0.000 0.987 333 S CA 0.654 58.794 58.200 -0.099 0.000 0.909 333 S CB 0.511 63.667 63.200 -0.074 0.000 0.781 333 S HN 0.200 nan 8.310 nan 0.000 0.521 334 S N -0.343 115.259 115.700 -0.164 0.000 2.549 334 S HA 0.486 4.954 4.470 -0.004 0.000 0.225 334 S C 1.635 176.170 174.600 -0.108 0.000 1.039 334 S CA 0.567 58.696 58.200 -0.119 0.000 0.942 334 S CB -0.321 62.806 63.200 -0.121 0.000 0.881 334 S HN 1.410 nan 8.310 nan 0.000 0.503 335 G N 2.270 110.938 108.800 -0.220 0.000 2.166 335 G HA2 -0.247 3.710 3.960 -0.004 0.000 0.260 335 G HA3 -0.247 3.710 3.960 -0.004 0.000 0.260 335 G C 0.146 175.025 174.900 -0.035 0.000 0.986 335 G CA 0.362 45.418 45.100 -0.074 0.000 0.683 335 G HN 0.539 nan 8.290 nan 0.000 0.527 336 R N -1.400 118.984 120.500 -0.193 0.000 2.553 336 R HA 0.622 4.959 4.340 -0.004 0.000 0.263 336 R C -0.520 175.643 176.300 -0.228 0.000 1.066 336 R CA -0.907 55.158 56.100 -0.060 0.000 1.135 336 R CB 0.407 30.691 30.300 -0.026 0.000 1.148 336 R HN 0.211 nan 8.270 nan 0.000 0.558 337 W N 0.474 121.773 121.300 -0.003 0.000 2.417 337 W HA 0.388 5.046 4.660 -0.004 0.000 0.315 337 W C -0.330 176.166 176.519 -0.039 0.000 1.045 337 W CA -0.402 56.935 57.345 -0.013 0.000 1.221 337 W CB 0.989 30.446 29.460 -0.005 0.000 1.309 337 W HN 0.414 nan 8.180 nan 0.000 0.453 338 N N 2.171 120.938 118.700 0.112 0.000 2.342 338 N HA 0.539 5.276 4.740 -0.004 0.000 0.293 338 N C -1.489 174.058 175.510 0.061 0.000 1.026 338 N CA -0.694 52.389 53.050 0.054 0.000 0.857 338 N CB 1.268 39.748 38.487 -0.012 0.000 1.256 338 N HN 0.186 nan 8.380 nan 0.000 0.484 339 c N 2.868 121.490 118.600 0.038 0.000 2.250 339 c HA 0.377 4.945 4.570 -0.004 0.000 0.319 339 c C 0.436 174.527 174.090 0.002 0.000 1.124 339 c CA -1.154 55.189 56.329 0.023 0.000 1.527 339 c CB -1.468 41.049 42.510 0.012 0.000 2.001 339 c HN 0.617 nan 8.230 nan 0.000 0.435 340 L N 2.525 123.751 121.223 0.005 0.000 2.499 340 L HA 0.039 4.377 4.340 -0.004 0.000 0.273 340 L C 1.506 178.365 176.870 -0.018 0.000 1.195 340 L CA 0.114 54.950 54.840 -0.006 0.000 0.882 340 L CB 0.557 42.617 42.059 0.001 0.000 1.133 340 L HN 0.585 nan 8.230 nan 0.000 0.483 341 V N 2.969 122.864 119.914 -0.030 0.000 2.626 341 V HA -0.264 3.853 4.120 -0.004 0.000 0.252 341 V C 2.285 178.342 176.094 -0.062 0.000 1.067 341 V CA 1.810 64.083 62.300 -0.045 0.000 1.081 341 V CB -0.756 31.041 31.823 -0.043 0.000 0.686 341 V HN 1.021 nan 8.190 nan 0.000 0.468 342 A N 0.003 122.794 122.820 -0.048 0.000 2.125 342 A HA -0.160 4.158 4.320 -0.004 0.000 0.219 342 A C 2.234 179.774 177.584 -0.074 0.000 1.156 342 A CA 1.374 53.379 52.037 -0.054 0.000 0.671 342 A CB -0.391 18.593 19.000 -0.026 0.000 0.794 342 A HN 0.568 nan 8.150 nan 0.000 0.459 343 R N -1.077 119.392 120.500 -0.051 0.000 2.432 343 R HA 0.155 4.493 4.340 -0.004 0.000 0.260 343 R C 0.479 176.744 176.300 -0.059 0.000 0.935 343 R CA -0.145 55.957 56.100 0.003 0.000 1.080 343 R CB 0.268 30.625 30.300 0.094 0.000 1.155 343 R HN 0.622 nan 8.270 nan 0.000 0.531 344 Q N 0.871 120.567 119.800 -0.173 0.000 2.256 344 Q HA 0.124 4.461 4.340 -0.004 0.000 0.254 344 Q C -1.209 174.607 176.000 -0.306 0.000 0.916 344 Q CA -0.312 55.415 55.803 -0.126 0.000 0.932 344 Q CB 0.749 29.439 28.738 -0.079 0.000 1.207 344 Q HN 0.221 nan 8.270 nan 0.000 0.426 345 H N 3.169 122.230 119.070 -0.015 0.000 2.589 345 H HA 0.350 4.903 4.556 -0.004 0.000 0.335 345 H C -0.639 174.651 175.328 -0.064 0.000 1.019 345 H CA -0.679 55.361 56.048 -0.012 0.000 1.213 345 H CB 1.010 30.754 29.762 -0.029 0.000 1.472 345 H HN 0.493 nan 8.280 nan 0.000 0.508 346 I N 2.230 122.808 120.570 0.014 0.000 2.365 346 I HA 0.211 4.378 4.170 -0.004 0.000 0.291 346 I C 0.399 176.461 176.117 -0.093 0.000 1.004 346 I CA -0.161 61.061 61.300 -0.131 0.000 1.311 346 I CB 0.999 38.900 38.000 -0.164 0.000 1.401 346 I HN 0.703 nan 8.210 nan 0.000 0.491 347 E N 7.227 127.321 120.200 -0.178 0.000 2.244 347 E HA 0.550 4.897 4.350 -0.004 0.000 0.260 347 E C -1.249 175.262 176.600 -0.148 0.000 0.884 347 E CA -0.668 55.676 56.400 -0.093 0.000 0.777 347 E CB 1.590 31.270 29.700 -0.034 0.000 1.197 347 E HN 0.589 nan 8.360 nan 0.000 0.416 348 M N 1.454 121.004 119.600 -0.082 0.000 2.727 348 M HA 0.614 5.091 4.480 -0.004 0.000 0.300 348 M C -0.880 175.427 176.300 0.012 0.000 1.246 348 M CA -0.796 54.488 55.300 -0.027 0.000 0.835 348 M CB 2.098 34.722 32.600 0.041 0.000 1.755 348 M HN 0.098 nan 8.290 nan 0.000 0.473 349 S N -1.013 114.700 115.700 0.022 0.000 2.538 349 S HA 0.625 5.093 4.470 -0.004 0.000 0.288 349 S C 0.381 174.976 174.600 -0.009 0.000 1.108 349 S CA -0.029 58.164 58.200 -0.011 0.000 0.971 349 S CB 1.311 64.466 63.200 -0.076 0.000 1.041 349 S HN 0.989 nan 8.310 nan 0.000 0.483 350 T N 0.072 114.620 114.554 -0.009 0.000 3.051 350 T HA 0.023 4.371 4.350 -0.004 0.000 0.255 350 T C 1.520 176.202 174.700 -0.031 0.000 1.085 350 T CA 1.078 63.174 62.100 -0.007 0.000 1.109 350 T CB -0.450 68.420 68.868 0.003 0.000 0.921 350 T HN 0.672 nan 8.240 nan 0.000 0.488 351 T N -2.160 112.364 114.554 -0.050 0.000 3.014 351 T HA 0.605 4.952 4.350 -0.004 0.000 0.250 351 T C 1.120 175.647 174.700 -0.290 0.000 1.060 351 T CA 0.329 62.398 62.100 -0.052 0.000 1.040 351 T CB 0.418 69.332 68.868 0.077 0.000 0.971 351 T HN 0.610 nan 8.240 nan 0.000 0.497 352 G N 0.377 108.816 108.800 -0.601 0.000 2.726 352 G HA2 0.494 4.452 3.960 -0.004 0.000 0.198 352 G HA3 0.494 4.452 3.960 -0.004 0.000 0.198 352 G C -1.596 173.036 174.900 -0.447 0.000 1.195 352 G CA -0.629 43.888 45.100 -0.972 0.000 0.951 352 G HN 0.488 nan 8.290 nan 0.000 0.532 353 W N -0.138 120.896 121.300 -0.443 0.000 2.260 353 W HA 0.740 5.398 4.660 -0.004 0.000 0.366 353 W C -0.384 176.083 176.519 -0.087 0.000 1.315 353 W CA -1.259 55.960 57.345 -0.210 0.000 1.458 353 W CB 0.647 29.962 29.460 -0.242 0.000 1.255 353 W HN 0.250 nan 8.180 nan 0.000 0.671 354 V N 3.045 123.032 119.914 0.121 0.000 2.407 354 V HA 0.677 4.794 4.120 -0.004 0.000 0.278 354 V C 0.805 176.974 176.094 0.125 0.000 1.037 354 V CA 0.423 62.756 62.300 0.055 0.000 0.900 354 V CB 0.011 31.864 31.823 0.051 0.000 0.983 354 V HN 1.272 nan 8.190 nan 0.000 0.459 355 G N 5.305 114.139 108.800 0.057 0.000 2.796 355 G HA2 -0.196 3.762 3.960 -0.004 0.000 0.571 355 G HA3 -0.196 3.762 3.960 -0.004 0.000 0.571 355 G C 0.324 175.317 174.900 0.156 0.000 1.370 355 G CA 0.243 45.406 45.100 0.104 0.000 0.856 355 G HN 0.654 nan 8.290 nan 0.000 0.538 356 R N -0.883 119.716 120.500 0.166 0.000 2.057 356 R HA 0.182 4.519 4.340 -0.004 0.000 0.229 356 R C 2.035 178.354 176.300 0.031 0.000 1.136 356 R CA 2.099 58.274 56.100 0.126 0.000 0.952 356 R CB -0.081 30.303 30.300 0.141 0.000 0.848 356 R HN 0.458 nan 8.270 nan 0.000 0.430 357 F N -0.670 119.434 119.950 0.257 0.000 2.789 357 F HA 0.275 4.799 4.527 -0.004 0.000 0.320 357 F C 0.298 176.134 175.800 0.060 0.000 1.079 357 F CA -0.496 57.597 58.000 0.154 0.000 1.205 357 F CB 0.778 39.864 39.000 0.145 0.000 1.046 357 F HN -0.101 nan 8.300 nan 0.000 0.586 358 R N -1.350 119.289 120.500 0.232 0.000 2.728 358 R HA 0.420 4.757 4.340 -0.004 0.000 0.274 358 R C -3.337 173.023 176.300 0.100 0.000 1.032 358 R CA -1.982 54.180 56.100 0.103 0.000 0.866 358 R CB 0.026 30.330 30.300 0.006 0.000 1.263 358 R HN -0.375 nan 8.270 nan 0.000 0.475 359 P HA -0.022 nan 4.420 nan 0.000 0.264 359 P C -0.319 177.000 177.300 0.032 0.000 1.183 359 P CA 0.094 63.213 63.100 0.032 0.000 0.763 359 P CB 0.658 32.352 31.700 -0.010 0.000 0.807 360 S N 1.471 117.203 115.700 0.053 0.000 2.593 360 S HA 0.153 4.621 4.470 -0.004 0.000 0.269 360 S C 0.117 174.736 174.600 0.032 0.000 1.334 360 S CA -0.752 57.496 58.200 0.080 0.000 1.015 360 S CB 0.229 63.500 63.200 0.118 0.000 0.912 360 S HN 0.566 nan 8.310 nan 0.000 0.541 361 E N 1.362 121.599 120.200 0.061 0.000 2.354 361 E HA 0.433 4.780 4.350 -0.004 0.000 0.269 361 E C -2.577 174.005 176.600 -0.030 0.000 1.036 361 E CA -2.018 54.370 56.400 -0.020 0.000 0.876 361 E CB 0.178 29.865 29.700 -0.022 0.000 1.009 361 E HN 0.409 nan 8.360 nan 0.000 0.416 362 P HA 0.117 nan 4.420 nan 0.000 0.281 362 P C -1.021 176.146 177.300 -0.220 0.000 1.249 362 P CA -0.278 62.668 63.100 -0.257 0.000 0.810 362 P CB 0.693 31.868 31.700 -0.876 0.000 1.008 363 H N 1.857 120.930 119.070 0.005 0.000 2.762 363 H HA 0.290 4.844 4.556 -0.004 0.000 0.310 363 H C -0.371 175.081 175.328 0.207 0.000 1.004 363 H CA -0.340 55.807 56.048 0.165 0.000 1.267 363 H CB 0.275 30.164 29.762 0.211 0.000 1.437 363 H HN 0.302 nan 8.280 nan 0.000 0.498 364 F N 1.941 122.088 119.950 0.328 0.000 2.399 364 F HA 0.053 4.578 4.527 -0.004 0.000 0.342 364 F C 1.597 177.598 175.800 0.336 0.000 1.106 364 F CA -0.525 57.676 58.000 0.335 0.000 1.196 364 F CB 0.962 40.091 39.000 0.214 0.000 1.163 364 F HN 0.372 nan 8.300 nan 0.000 0.547 365 T N 0.872 115.740 114.554 0.523 0.000 2.855 365 T HA 0.037 4.385 4.350 -0.004 0.000 0.314 365 T C 1.174 176.075 174.700 0.335 0.000 1.077 365 T CA -0.774 61.567 62.100 0.403 0.000 1.095 365 T CB 0.695 69.787 68.868 0.373 0.000 0.987 365 T HN 0.610 nan 8.240 nan 0.000 0.546 366 L N 1.583 122.956 121.223 0.249 0.000 2.021 366 L HA -0.148 4.189 4.340 -0.004 0.000 0.215 366 L C 2.241 179.222 176.870 0.185 0.000 1.074 366 L CA 2.612 57.571 54.840 0.198 0.000 0.760 366 L CB -1.085 41.065 42.059 0.152 0.000 0.889 366 L HN 0.979 nan 8.230 nan 0.000 0.433 367 D N -1.205 119.305 120.400 0.183 0.000 2.348 367 D HA 0.012 4.649 4.640 -0.004 0.000 0.216 367 D C 1.655 178.060 176.300 0.176 0.000 0.970 367 D CA 0.862 54.958 54.000 0.160 0.000 0.889 367 D CB -0.643 40.242 40.800 0.141 0.000 0.912 367 D HN 0.487 nan 8.370 nan 0.000 0.524 368 G N 0.458 109.401 108.800 0.237 0.000 2.153 368 G HA2 -0.340 3.618 3.960 -0.004 0.000 0.252 368 G HA3 -0.340 3.618 3.960 -0.004 0.000 0.252 368 G C 0.856 175.944 174.900 0.313 0.000 0.994 368 G CA 0.414 45.665 45.100 0.252 0.000 0.698 368 G HN 0.392 nan 8.290 nan 0.000 0.521 369 N N 0.044 118.913 118.700 0.282 0.000 2.299 369 N HA 0.216 4.953 4.740 -0.004 0.000 0.187 369 N C 0.870 176.501 175.510 0.203 0.000 1.099 369 N CA 1.056 54.239 53.050 0.223 0.000 0.867 369 N CB 0.555 39.130 38.487 0.147 0.000 0.974 369 N HN 0.902 nan 8.380 nan 0.000 0.477 370 S N -0.448 115.405 115.700 0.255 0.000 2.596 370 S HA 0.769 5.236 4.470 -0.004 0.000 0.270 370 S C -0.985 173.698 174.600 0.138 0.000 1.155 370 S CA -0.999 57.218 58.200 0.027 0.000 0.827 370 S CB 1.748 64.849 63.200 -0.166 0.000 1.130 370 S HN 0.116 nan 8.310 nan 0.000 0.467 371 F N -1.831 117.954 119.950 -0.276 0.000 2.668 371 F HA 0.825 5.350 4.527 -0.004 0.000 0.309 371 F C -2.162 173.476 175.800 -0.271 0.000 1.117 371 F CA -1.512 56.270 58.000 -0.362 0.000 0.951 371 F CB 0.607 38.949 39.000 -1.097 0.000 1.323 371 F HN 0.599 nan 8.300 nan 0.000 0.451 372 Y N 1.156 121.593 120.300 0.228 0.000 2.409 372 Y HA 0.706 5.253 4.550 -0.004 0.000 0.339 372 Y C -0.191 175.865 175.900 0.260 0.000 1.033 372 Y CA -0.882 57.342 58.100 0.206 0.000 1.094 372 Y CB 2.135 40.672 38.460 0.130 0.000 1.210 372 Y HN 0.704 nan 8.280 nan 0.000 0.456 373 K N 2.781 123.396 120.400 0.358 0.000 2.543 373 K HA 0.494 4.812 4.320 -0.004 0.000 0.255 373 K C -1.719 175.016 176.600 0.225 0.000 0.934 373 K CA -0.577 55.885 56.287 0.292 0.000 0.810 373 K CB 1.609 34.264 32.500 0.258 0.000 1.315 373 K HN 0.696 nan 8.250 nan 0.000 0.433 374 I N 6.369 127.050 120.570 0.184 0.000 2.396 374 I HA 0.244 4.411 4.170 -0.004 0.000 0.289 374 I C 0.254 176.467 176.117 0.159 0.000 1.056 374 I CA -0.196 61.195 61.300 0.151 0.000 1.365 374 I CB 0.318 38.389 38.000 0.119 0.000 1.407 374 I HN 0.454 nan 8.210 nan 0.000 0.509 375 I N 1.899 122.593 120.570 0.206 0.000 2.969 375 I HA 0.489 4.657 4.170 -0.004 0.000 0.307 375 I C -0.331 175.917 176.117 0.218 0.000 1.149 375 I CA -0.788 60.632 61.300 0.200 0.000 1.008 375 I CB 2.175 40.306 38.000 0.218 0.000 1.232 375 I HN 0.316 nan 8.210 nan 0.000 0.435 376 S N 2.966 118.732 115.700 0.110 0.000 2.510 376 S HA 0.199 4.667 4.470 -0.004 0.000 0.279 376 S C 0.065 174.706 174.600 0.068 0.000 1.284 376 S CA -0.490 57.720 58.200 0.016 0.000 1.059 376 S CB -0.316 62.837 63.200 -0.079 0.000 0.901 376 S HN 0.821 nan 8.310 nan 0.000 0.491 377 N N 3.902 122.532 118.700 -0.116 0.000 2.374 377 N HA 0.144 4.881 4.740 -0.004 0.000 0.284 377 N C 0.793 176.199 175.510 -0.174 0.000 1.280 377 N CA -0.198 52.638 53.050 -0.358 0.000 0.963 377 N CB -0.145 37.721 38.487 -1.035 0.000 1.141 377 N HN 0.660 nan 8.380 nan 0.000 0.565 378 E N -0.731 119.359 120.200 -0.184 0.000 2.153 378 E HA -0.155 4.192 4.350 -0.004 0.000 0.194 378 E C 0.867 177.409 176.600 -0.095 0.000 0.988 378 E CA 0.984 57.324 56.400 -0.100 0.000 0.811 378 E CB -0.054 29.595 29.700 -0.084 0.000 0.746 378 E HN 0.629 nan 8.360 nan 0.000 0.466 379 E N -0.620 119.519 120.200 -0.101 0.000 2.502 379 E HA -0.020 4.328 4.350 -0.004 0.000 0.194 379 E C 0.896 177.447 176.600 -0.083 0.000 1.062 379 E CA 0.338 56.724 56.400 -0.024 0.000 0.867 379 E CB 0.398 30.148 29.700 0.083 0.000 0.888 379 E HN 0.388 nan 8.360 nan 0.000 0.510 380 G N 0.896 109.598 108.800 -0.163 0.000 2.159 380 G HA2 -0.281 3.677 3.960 -0.004 0.000 0.256 380 G HA3 -0.281 3.677 3.960 -0.004 0.000 0.256 380 G C -0.282 174.348 174.900 -0.451 0.000 0.977 380 G CA 0.095 45.005 45.100 -0.317 0.000 0.652 380 G HN 0.220 nan 8.290 nan 0.000 0.531 381 Y N 0.393 120.565 120.300 -0.212 0.000 2.342 381 Y HA 0.625 5.173 4.550 -0.004 0.000 0.334 381 Y C 1.217 176.959 175.900 -0.263 0.000 1.067 381 Y CA -0.863 57.096 58.100 -0.236 0.000 1.128 381 Y CB 0.961 39.289 38.460 -0.219 0.000 1.200 381 Y HN 0.072 nan 8.280 nan 0.000 0.464 382 R N 3.751 124.127 120.500 -0.207 0.000 2.248 382 R HA 0.269 4.606 4.340 -0.004 0.000 0.328 382 R C -0.761 175.265 176.300 -0.455 0.000 1.067 382 R CA -0.072 55.908 56.100 -0.200 0.000 0.924 382 R CB 0.126 30.365 30.300 -0.102 0.000 1.013 382 R HN 0.662 nan 8.270 nan 0.000 0.454 383 H N 1.663 120.717 119.070 -0.026 0.000 2.949 383 H HA 0.347 4.900 4.556 -0.004 0.000 0.356 383 H C -0.249 175.150 175.328 0.120 0.000 1.212 383 H CA -0.927 55.085 56.048 -0.061 0.000 1.136 383 H CB 1.657 31.277 29.762 -0.236 0.000 1.869 383 H HN 0.324 nan 8.280 nan 0.000 0.556 384 I N 1.323 121.990 120.570 0.161 0.000 2.352 384 I HA 0.077 4.245 4.170 -0.004 0.000 0.290 384 I C 0.319 176.477 176.117 0.069 0.000 1.036 384 I CA 0.029 61.380 61.300 0.085 0.000 1.336 384 I CB 0.419 38.383 38.000 -0.060 0.000 1.407 384 I HN 0.136 nan 8.210 nan 0.000 0.497 385 c N 7.017 125.584 118.600 -0.055 0.000 2.411 385 c HA 0.446 5.013 4.570 -0.004 0.000 0.330 385 c C -0.480 173.468 174.090 -0.237 0.000 1.224 385 c CA -0.455 55.613 56.329 -0.434 0.000 1.770 385 c CB 0.923 42.900 42.510 -0.889 0.000 2.297 385 c HN 0.640 nan 8.230 nan 0.000 0.507 386 Y N 4.433 124.388 120.300 -0.574 0.000 2.331 386 Y HA 0.658 5.206 4.550 -0.004 0.000 0.338 386 Y C -1.048 174.390 175.900 -0.770 0.000 0.976 386 Y CA -1.054 56.655 58.100 -0.652 0.000 1.137 386 Y CB 0.340 38.486 38.460 -0.522 0.000 1.172 386 Y HN 0.632 nan 8.280 nan 0.000 0.478 387 F N 4.397 123.582 119.950 -1.274 0.000 2.480 387 F HA 0.443 4.967 4.527 -0.004 0.000 0.329 387 F C -0.093 174.981 175.800 -1.210 0.000 1.091 387 F CA -0.955 56.292 58.000 -1.255 0.000 0.972 387 F CB 1.447 39.353 39.000 -1.823 0.000 1.150 387 F HN 0.298 nan 8.300 nan 0.000 0.467 388 Q N 3.312 122.775 119.800 -0.561 0.000 2.235 388 Q HA 0.265 4.603 4.340 -0.004 0.000 0.250 388 Q C 1.281 177.266 176.000 -0.025 0.000 0.909 388 Q CA -0.304 55.325 55.803 -0.291 0.000 0.910 388 Q CB 1.606 30.235 28.738 -0.181 0.000 1.223 388 Q HN 0.869 nan 8.270 nan 0.000 0.432 389 I N -1.112 119.534 120.570 0.127 0.000 2.530 389 I HA -0.196 3.972 4.170 -0.004 0.000 0.257 389 I C 0.658 177.005 176.117 0.383 0.000 1.179 389 I CA 1.582 63.105 61.300 0.371 0.000 1.440 389 I CB -0.150 38.077 38.000 0.378 0.000 1.087 389 I HN 0.377 nan 8.210 nan 0.000 0.440 390 D N 0.607 121.122 120.400 0.191 0.000 2.538 390 D HA 0.222 4.860 4.640 -0.004 0.000 0.231 390 D C -0.132 176.196 176.300 0.048 0.000 1.229 390 D CA -0.351 53.706 54.000 0.096 0.000 0.828 390 D CB 0.028 40.863 40.800 0.058 0.000 1.035 390 D HN 0.396 nan 8.370 nan 0.000 0.495 391 K N 0.242 120.697 120.400 0.092 0.000 2.378 391 K HA 0.325 4.642 4.320 -0.004 0.000 0.252 391 K C 0.522 177.182 176.600 0.101 0.000 0.931 391 K CA -0.872 55.435 56.287 0.033 0.000 0.794 391 K CB 2.325 34.804 32.500 -0.034 0.000 1.181 391 K HN -0.329 nan 8.250 nan 0.000 0.425 392 K N 0.592 121.006 120.400 0.024 0.000 2.186 392 K HA 0.051 4.368 4.320 -0.004 0.000 0.202 392 K C -0.097 176.531 176.600 0.046 0.000 1.052 392 K CA 1.005 57.329 56.287 0.062 0.000 0.965 392 K CB 0.148 32.640 32.500 -0.013 0.000 0.746 392 K HN 0.589 nan 8.250 nan 0.000 0.457 393 D N 1.474 121.832 120.400 -0.069 0.000 2.312 393 D HA 0.054 4.691 4.640 -0.004 0.000 0.252 393 D C 0.493 176.568 176.300 -0.376 0.000 1.150 393 D CA -0.178 53.715 54.000 -0.177 0.000 0.870 393 D CB 1.065 41.785 40.800 -0.133 0.000 1.153 393 D HN 0.163 nan 8.370 nan 0.000 0.457 394 c N 0.806 119.010 118.600 -0.659 0.000 2.328 394 c HA 0.769 5.337 4.570 -0.004 0.000 0.378 394 c C 0.353 174.050 174.090 -0.655 0.000 1.249 394 c CA -0.587 55.140 56.329 -1.004 0.000 2.204 394 c CB 0.927 42.210 42.510 -2.044 0.000 2.218 394 c HN 0.473 nan 8.230 nan 0.000 0.564 395 T N 1.712 115.923 114.554 -0.573 0.000 2.786 395 T HA 0.460 4.808 4.350 -0.004 0.000 0.283 395 T C -0.693 173.798 174.700 -0.348 0.000 0.992 395 T CA 0.153 62.071 62.100 -0.304 0.000 0.954 395 T CB 0.290 69.114 68.868 -0.074 0.000 0.934 395 T HN 0.474 nan 8.240 nan 0.000 0.440 396 F N 3.379 123.213 119.950 -0.192 0.000 2.504 396 F HA 0.231 4.756 4.527 -0.004 0.000 0.369 396 F C 1.610 177.254 175.800 -0.261 0.000 1.082 396 F CA -0.733 57.143 58.000 -0.208 0.000 1.216 396 F CB 0.392 39.271 39.000 -0.202 0.000 1.108 396 F HN 0.591 nan 8.300 nan 0.000 0.554 397 I N -0.562 119.908 120.570 -0.166 0.000 4.070 397 I HA 0.212 4.380 4.170 -0.004 0.000 0.328 397 I C 0.306 176.256 176.117 -0.277 0.000 1.298 397 I CA 0.131 61.135 61.300 -0.495 0.000 1.173 397 I CB 0.172 37.600 38.000 -0.953 0.000 1.051 397 I HN 0.478 nan 8.210 nan 0.000 0.409 398 T N 0.407 114.862 114.554 -0.165 0.000 2.907 398 T HA 0.689 5.036 4.350 -0.004 0.000 0.292 398 T C -0.620 173.742 174.700 -0.564 0.000 1.043 398 T CA -0.683 61.310 62.100 -0.178 0.000 1.003 398 T CB 2.536 71.385 68.868 -0.032 0.000 1.084 398 T HN 0.491 nan 8.240 nan 0.000 0.483 399 K N 0.012 119.932 120.400 -0.800 0.000 2.548 399 K HA 0.823 5.140 4.320 -0.004 0.000 0.282 399 K C -0.397 175.549 176.600 -1.090 0.000 1.006 399 K CA -0.923 54.577 56.287 -1.312 0.000 0.892 399 K CB 1.507 33.600 32.500 -0.679 0.000 1.499 399 K HN 1.498 nan 8.250 nan 0.000 0.433 400 G N -0.100 108.085 108.800 -1.026 0.000 2.353 400 G HA2 0.068 4.026 3.960 -0.004 0.000 0.424 400 G HA3 0.068 4.026 3.960 -0.004 0.000 0.424 400 G C -0.827 173.510 174.900 -0.938 0.000 1.320 400 G CA -0.360 44.310 45.100 -0.716 0.000 0.995 400 G HN 1.000 nan 8.290 nan 0.000 0.580 401 T N -0.518 113.611 114.554 -0.708 0.000 3.855 401 T HA 0.582 4.929 4.350 -0.004 0.000 0.306 401 T C 0.145 174.573 174.700 -0.452 0.000 1.575 401 T CA 0.543 62.008 62.100 -1.058 0.000 1.214 401 T CB -0.946 67.574 68.868 -0.580 0.000 1.262 401 T HN 1.602 nan 8.240 nan 0.000 0.883 402 W N -0.305 120.775 121.300 -0.366 0.000 2.926 402 W HA 0.590 5.248 4.660 -0.004 0.000 0.361 402 W C -1.638 174.860 176.519 -0.035 0.000 1.195 402 W CA -0.934 56.373 57.345 -0.064 0.000 1.177 402 W CB 0.561 29.985 29.460 -0.059 0.000 1.453 402 W HN 0.201 nan 8.180 nan 0.000 0.571 403 E N 0.910 121.302 120.200 0.319 0.000 2.317 403 E HA 0.441 4.788 4.350 -0.004 0.000 0.270 403 E C -1.033 175.695 176.600 0.214 0.000 0.885 403 E CA -1.176 55.230 56.400 0.010 0.000 0.760 403 E CB 3.415 33.160 29.700 0.075 0.000 1.227 403 E HN 0.176 nan 8.360 nan 0.000 0.434 404 V N 4.034 123.946 119.914 -0.003 0.000 2.508 404 V HA -0.008 4.110 4.120 -0.004 0.000 0.281 404 V C 1.268 177.448 176.094 0.143 0.000 1.041 404 V CA 0.084 62.466 62.300 0.137 0.000 1.016 404 V CB 0.429 32.234 31.823 -0.029 0.000 0.984 404 V HN 0.695 nan 8.190 nan 0.000 0.478 405 I N 3.158 123.837 120.570 0.182 0.000 2.339 405 I HA 0.255 4.422 4.170 -0.004 0.000 0.245 405 I C 1.124 177.349 176.117 0.180 0.000 1.096 405 I CA 1.252 62.648 61.300 0.160 0.000 1.408 405 I CB -0.714 37.314 38.000 0.046 0.000 1.092 405 I HN 0.745 nan 8.210 nan 0.000 0.423 406 G N 0.670 109.579 108.800 0.182 0.000 2.673 406 G HA2 0.573 4.530 3.960 -0.004 0.000 0.292 406 G HA3 0.573 4.530 3.960 -0.004 0.000 0.292 406 G C -1.315 173.680 174.900 0.159 0.000 1.450 406 G CA -0.528 44.678 45.100 0.176 0.000 0.837 406 G HN -0.033 nan 8.290 nan 0.000 0.505 407 I N 1.469 122.072 120.570 0.056 0.000 2.342 407 I HA 0.280 4.448 4.170 -0.004 0.000 0.291 407 I C 0.661 176.739 176.117 -0.065 0.000 1.010 407 I CA -0.568 60.666 61.300 -0.110 0.000 1.308 407 I CB 1.804 39.476 38.000 -0.546 0.000 1.400 407 I HN 0.476 nan 8.210 nan 0.000 0.488 408 E N 4.674 124.899 120.200 0.042 0.000 2.244 408 E HA 0.343 4.690 4.350 -0.004 0.000 0.196 408 E C 0.149 176.741 176.600 -0.014 0.000 0.939 408 E CA 0.285 56.760 56.400 0.125 0.000 0.884 408 E CB 0.704 30.560 29.700 0.260 0.000 0.850 408 E HN 0.676 nan 8.360 nan 0.000 0.481 409 A N 0.484 123.207 122.820 -0.161 0.000 2.612 409 A HA 0.630 4.948 4.320 -0.004 0.000 0.293 409 A C -1.950 175.591 177.584 -0.071 0.000 1.075 409 A CA -0.600 51.268 52.037 -0.281 0.000 0.680 409 A CB 1.354 19.709 19.000 -1.075 0.000 1.279 409 A HN 0.039 nan 8.150 nan 0.000 0.411 410 L N 1.471 122.683 121.223 -0.019 0.000 2.441 410 L HA 0.732 5.069 4.340 -0.004 0.000 0.270 410 L C 0.224 177.129 176.870 0.058 0.000 0.973 410 L CA 0.438 55.289 54.840 0.018 0.000 0.842 410 L CB 1.875 43.975 42.059 0.068 0.000 1.239 410 L HN 1.155 nan 8.230 nan 0.000 0.406 411 T N -0.260 114.341 114.554 0.078 0.000 2.919 411 T HA 0.424 4.771 4.350 -0.004 0.000 0.282 411 T C 1.127 175.865 174.700 0.062 0.000 1.020 411 T CA 0.083 62.239 62.100 0.093 0.000 0.994 411 T CB 1.183 70.142 68.868 0.151 0.000 1.180 411 T HN 0.612 nan 8.240 nan 0.000 0.566 412 S N -0.392 115.345 115.700 0.061 0.000 2.447 412 S HA -0.078 4.390 4.470 -0.004 0.000 0.233 412 S C 0.918 175.493 174.600 -0.042 0.000 1.006 412 S CA 0.957 59.178 58.200 0.035 0.000 0.957 412 S CB -0.451 62.775 63.200 0.042 0.000 0.773 412 S HN 0.737 nan 8.310 nan 0.000 0.507 413 D N -0.770 119.580 120.400 -0.083 0.000 2.431 413 D HA 0.241 4.878 4.640 -0.004 0.000 0.227 413 D C -0.517 175.389 176.300 -0.656 0.000 1.030 413 D CA 0.546 54.349 54.000 -0.330 0.000 0.897 413 D CB 0.349 40.981 40.800 -0.280 0.000 1.058 413 D HN 0.424 nan 8.370 nan 0.000 0.500 414 Y N 0.089 120.313 120.300 -0.128 0.000 2.524 414 Y HA 0.459 5.007 4.550 -0.004 0.000 0.347 414 Y C -0.560 175.130 175.900 -0.349 0.000 1.005 414 Y CA -0.951 56.974 58.100 -0.291 0.000 1.025 414 Y CB 2.561 40.728 38.460 -0.487 0.000 1.275 414 Y HN -0.265 nan 8.280 nan 0.000 0.460 415 L N 3.145 124.219 121.223 -0.248 0.000 2.322 415 L HA 0.608 4.946 4.340 -0.004 0.000 0.281 415 L C -1.773 174.939 176.870 -0.264 0.000 1.014 415 L CA -0.619 54.064 54.840 -0.262 0.000 0.815 415 L CB 0.880 42.709 42.059 -0.384 0.000 1.247 415 L HN 0.614 nan 8.230 nan 0.000 0.421 416 Y N 4.611 124.858 120.300 -0.090 0.000 2.352 416 Y HA 0.547 5.095 4.550 -0.004 0.000 0.339 416 Y C -0.598 175.329 175.900 0.045 0.000 0.992 416 Y CA -0.458 57.596 58.100 -0.076 0.000 1.100 416 Y CB 1.453 39.789 38.460 -0.207 0.000 1.192 416 Y HN 0.512 nan 8.280 nan 0.000 0.458 417 Y N 0.969 121.344 120.300 0.125 0.000 2.571 417 Y HA 0.757 5.305 4.550 -0.004 0.000 0.341 417 Y C -1.810 174.179 175.900 0.149 0.000 1.076 417 Y CA -1.802 56.356 58.100 0.098 0.000 1.029 417 Y CB 1.097 39.586 38.460 0.048 0.000 1.308 417 Y HN 0.310 nan 8.280 nan 0.000 0.461 418 I N 3.654 124.377 120.570 0.254 0.000 2.359 418 I HA 0.549 4.717 4.170 -0.004 0.000 0.294 418 I C -0.002 176.282 176.117 0.279 0.000 0.987 418 I CA -0.240 61.159 61.300 0.166 0.000 1.225 418 I CB 1.341 39.391 38.000 0.084 0.000 1.366 418 I HN 0.879 nan 8.210 nan 0.000 0.466 419 S N 3.991 119.828 115.700 0.228 0.000 2.651 419 S HA 0.452 4.919 4.470 -0.004 0.000 0.279 419 S C -0.143 174.503 174.600 0.076 0.000 1.148 419 S CA -0.833 57.485 58.200 0.195 0.000 0.837 419 S CB 1.915 65.242 63.200 0.212 0.000 1.138 419 S HN 0.591 nan 8.310 nan 0.000 0.478 420 N N -0.320 118.420 118.700 0.067 0.000 2.320 420 N HA 0.115 4.853 4.740 -0.004 0.000 0.237 420 N C 0.636 176.123 175.510 -0.039 0.000 1.129 420 N CA -0.219 52.836 53.050 0.007 0.000 0.854 420 N CB 0.097 38.579 38.487 -0.008 0.000 1.083 420 N HN 0.820 nan 8.380 nan 0.000 0.504 421 E N -0.145 119.891 120.200 -0.273 0.000 2.077 421 E HA -0.226 4.121 4.350 -0.004 0.000 0.193 421 E C -0.372 176.083 176.600 -0.241 0.000 0.989 421 E CA 0.467 56.460 56.400 -0.678 0.000 0.800 421 E CB -0.078 28.647 29.700 -1.626 0.000 0.746 421 E HN 0.442 nan 8.360 nan 0.000 0.452 422 Y N 1.753 121.961 120.300 -0.153 0.000 2.729 422 Y HA -0.089 4.459 4.550 -0.004 0.000 0.331 422 Y C 0.458 176.323 175.900 -0.058 0.000 1.208 422 Y CA 0.770 58.827 58.100 -0.071 0.000 1.521 422 Y CB 0.100 38.544 38.460 -0.026 0.000 1.233 422 Y HN 0.062 nan 8.280 nan 0.000 0.539 423 K N 3.583 123.712 120.400 -0.452 0.000 3.274 423 K HA -0.236 4.082 4.320 -0.004 0.000 0.300 423 K C 0.787 177.317 176.600 -0.117 0.000 1.230 423 K CA 0.839 56.903 56.287 -0.372 0.000 0.884 423 K CB -1.660 30.536 32.500 -0.507 0.000 1.242 423 K HN 1.292 nan 8.250 nan 0.000 0.467 424 G N 0.600 109.352 108.800 -0.080 0.000 2.249 424 G HA2 -0.323 3.635 3.960 -0.004 0.000 0.273 424 G HA3 -0.323 3.635 3.960 -0.004 0.000 0.273 424 G C -0.032 174.861 174.900 -0.011 0.000 1.036 424 G CA 0.744 45.846 45.100 0.004 0.000 0.824 424 G HN 0.297 nan 8.290 nan 0.000 0.504 425 M N 0.077 119.600 119.600 -0.128 0.000 2.055 425 M HA 0.263 4.740 4.480 -0.004 0.000 0.346 425 M C -1.405 174.670 176.300 -0.375 0.000 1.074 425 M CA -2.072 53.005 55.300 -0.372 0.000 1.009 425 M CB 1.834 34.292 32.600 -0.237 0.000 1.423 425 M HN -0.129 nan 8.290 nan 0.000 0.410 426 P HA -0.060 nan 4.420 nan 0.000 0.222 426 P C 1.135 178.309 177.300 -0.211 0.000 1.147 426 P CA 0.977 63.908 63.100 -0.281 0.000 0.790 426 P CB 0.222 31.734 31.700 -0.313 0.000 0.780 427 G N -1.159 107.459 108.800 -0.303 0.000 3.189 427 G HA2 0.297 4.255 3.960 -0.004 0.000 0.225 427 G HA3 0.297 4.255 3.960 -0.004 0.000 0.225 427 G C 0.643 175.569 174.900 0.043 0.000 1.159 427 G CA 0.057 45.107 45.100 -0.084 0.000 0.763 427 G HN 0.373 nan 8.290 nan 0.000 0.549 428 G N -0.105 108.663 108.800 -0.053 0.000 2.462 428 G HA2 0.642 4.599 3.960 -0.004 0.000 0.319 428 G HA3 0.642 4.599 3.960 -0.004 0.000 0.319 428 G C -0.745 174.045 174.900 -0.184 0.000 1.171 428 G CA -0.733 44.362 45.100 -0.009 0.000 0.920 428 G HN 0.105 nan 8.290 nan 0.000 0.499 429 R N 0.823 121.170 120.500 -0.255 0.000 2.564 429 R HA 0.422 4.759 4.340 -0.004 0.000 0.284 429 R C -1.329 174.932 176.300 -0.065 0.000 1.031 429 R CA -0.810 55.112 56.100 -0.297 0.000 0.904 429 R CB 2.119 31.999 30.300 -0.701 0.000 1.199 429 R HN 0.602 nan 8.270 nan 0.000 0.443 430 N N 1.460 120.141 118.700 -0.032 0.000 2.329 430 N HA 0.340 5.077 4.740 -0.004 0.000 0.282 430 N C -1.321 174.040 175.510 -0.248 0.000 1.198 430 N CA -0.824 52.121 53.050 -0.174 0.000 0.790 430 N CB 2.728 41.000 38.487 -0.358 0.000 1.579 430 N HN 0.259 nan 8.380 nan 0.000 0.475 431 L N 2.056 122.986 121.223 -0.487 0.000 2.292 431 L HA 0.462 4.800 4.340 -0.004 0.000 0.284 431 L C -1.355 175.112 176.870 -0.672 0.000 1.065 431 L CA 0.041 54.626 54.840 -0.425 0.000 0.806 431 L CB -0.066 41.752 42.059 -0.402 0.000 1.175 431 L HN 0.412 nan 8.230 nan 0.000 0.431 432 Y N 3.585 123.533 120.300 -0.588 0.000 2.562 432 Y HA 0.573 5.120 4.550 -0.004 0.000 0.343 432 Y C -0.302 175.279 175.900 -0.531 0.000 1.025 432 Y CA -0.851 56.850 58.100 -0.664 0.000 1.082 432 Y CB 1.680 39.495 38.460 -1.075 0.000 1.264 432 Y HN 0.449 nan 8.280 nan 0.000 0.478 433 K N 2.933 123.200 120.400 -0.222 0.000 2.507 433 K HA 0.561 4.879 4.320 -0.004 0.000 0.252 433 K C -1.893 174.669 176.600 -0.064 0.000 0.943 433 K CA -0.499 55.599 56.287 -0.314 0.000 0.808 433 K CB 1.437 33.684 32.500 -0.422 0.000 1.142 433 K HN 0.800 nan 8.250 nan 0.000 0.426 434 I N 3.418 124.008 120.570 0.034 0.000 2.404 434 I HA 0.210 4.378 4.170 -0.004 0.000 0.293 434 I C -0.523 175.685 176.117 0.153 0.000 0.992 434 I CA -0.668 60.723 61.300 0.152 0.000 1.149 434 I CB 1.689 39.803 38.000 0.191 0.000 1.315 434 I HN 0.703 nan 8.210 nan 0.000 0.446 435 Q N 6.098 125.984 119.800 0.144 0.000 2.286 435 Q HA 0.186 4.524 4.340 -0.004 0.000 0.267 435 Q C 0.239 176.163 176.000 -0.127 0.000 1.028 435 Q CA -0.149 55.575 55.803 -0.131 0.000 0.901 435 Q CB 1.192 29.892 28.738 -0.063 0.000 1.183 435 Q HN 0.832 nan 8.270 nan 0.000 0.392 436 L N 2.434 123.497 121.223 -0.268 0.000 2.156 436 L HA -0.129 4.208 4.340 -0.004 0.000 0.208 436 L C 2.083 178.816 176.870 -0.229 0.000 1.095 436 L CA 1.234 55.998 54.840 -0.127 0.000 0.770 436 L CB -0.272 41.692 42.059 -0.158 0.000 0.914 436 L HN 0.692 nan 8.230 nan 0.000 0.439 437 S N -2.484 113.056 115.700 -0.267 0.000 2.593 437 S HA -0.011 4.457 4.470 -0.004 0.000 0.217 437 S C 0.325 174.746 174.600 -0.299 0.000 0.966 437 S CA -0.087 57.953 58.200 -0.267 0.000 0.914 437 S CB 0.018 63.103 63.200 -0.191 0.000 0.776 437 S HN 0.347 nan 8.310 nan 0.000 0.523 438 D N -0.148 120.077 120.400 -0.292 0.000 2.312 438 D HA 0.201 4.838 4.640 -0.004 0.000 0.229 438 D C -0.474 175.779 176.300 -0.080 0.000 1.337 438 D CA -0.535 53.331 54.000 -0.223 0.000 0.964 438 D CB 0.014 40.746 40.800 -0.114 0.000 1.456 438 D HN -0.034 nan 8.370 nan 0.000 0.547 439 Y N 0.913 121.193 120.300 -0.033 0.000 2.569 439 Y HA -0.078 4.470 4.550 -0.004 0.000 0.293 439 Y C 2.550 178.458 175.900 0.013 0.000 1.144 439 Y CA 1.433 59.526 58.100 -0.012 0.000 1.321 439 Y CB -0.855 37.598 38.460 -0.012 0.000 0.982 439 Y HN 0.442 nan 8.280 nan 0.000 0.558 440 T N -2.963 111.669 114.554 0.130 0.000 3.085 440 T HA -0.018 4.330 4.350 -0.004 0.000 0.263 440 T C 0.714 175.465 174.700 0.084 0.000 1.127 440 T CA 0.247 62.402 62.100 0.091 0.000 1.103 440 T CB -0.073 68.825 68.868 0.049 0.000 0.921 440 T HN -0.130 nan 8.240 nan 0.000 0.510 441 K N 2.576 123.028 120.400 0.088 0.000 2.206 441 K HA 0.495 4.812 4.320 -0.004 0.000 0.268 441 K C -1.125 175.545 176.600 0.117 0.000 1.111 441 K CA -0.295 56.044 56.287 0.087 0.000 0.955 441 K CB 1.126 33.671 32.500 0.075 0.000 1.406 441 K HN 0.185 nan 8.250 nan 0.000 0.427 442 V N 2.506 122.485 119.914 0.109 0.000 2.444 442 V HA 0.296 4.413 4.120 -0.004 0.000 0.294 442 V C -0.065 176.081 176.094 0.086 0.000 1.022 442 V CA -0.739 61.638 62.300 0.128 0.000 0.850 442 V CB 1.889 33.814 31.823 0.170 0.000 0.992 442 V HN 0.528 nan 8.190 nan 0.000 0.426 443 T N 3.490 118.063 114.554 0.031 0.000 2.779 443 T HA 0.234 4.581 4.350 -0.004 0.000 0.280 443 T C -0.240 174.368 174.700 -0.152 0.000 0.987 443 T CA -0.248 61.819 62.100 -0.056 0.000 0.966 443 T CB 1.226 70.029 68.868 -0.108 0.000 0.933 443 T HN 0.756 nan 8.240 nan 0.000 0.442 444 C N 5.364 124.507 119.300 -0.262 0.000 2.555 444 C HA 0.344 4.802 4.460 -0.004 0.000 0.385 444 C C 1.786 176.444 174.990 -0.554 0.000 1.296 444 C CA -0.503 58.094 59.018 -0.701 0.000 1.757 444 C CB -1.885 25.371 27.740 -0.807 0.000 2.445 444 C HN 0.971 nan 8.230 nan 0.000 0.571 445 L N 4.500 125.363 121.223 -0.599 0.000 2.375 445 L HA 0.046 4.384 4.340 -0.004 0.000 0.215 445 L C 2.234 178.777 176.870 -0.544 0.000 1.108 445 L CA 1.139 55.706 54.840 -0.457 0.000 0.830 445 L CB -0.237 41.587 42.059 -0.391 0.000 0.959 445 L HN 0.884 nan 8.230 nan 0.000 0.457 446 S N -3.209 112.050 115.700 -0.733 0.000 2.549 446 S HA -0.008 4.459 4.470 -0.004 0.000 0.225 446 S C 1.870 176.047 174.600 -0.704 0.000 1.039 446 S CA -0.170 57.489 58.200 -0.903 0.000 0.942 446 S CB -0.330 61.923 63.200 -1.578 0.000 0.881 446 S HN 0.279 nan 8.310 nan 0.000 0.503 447 C N 2.726 121.593 119.300 -0.722 0.000 2.393 447 C HA -0.027 4.430 4.460 -0.004 0.000 0.276 447 C C 2.280 176.944 174.990 -0.544 0.000 1.215 447 C CA 1.099 59.600 59.018 -0.862 0.000 1.743 447 C CB -0.819 26.180 27.740 -1.236 0.000 2.044 447 C HN 0.603 nan 8.230 nan 0.000 0.464 448 E N 0.336 120.320 120.200 -0.361 0.000 2.476 448 E HA 0.182 4.529 4.350 -0.004 0.000 0.196 448 E C 1.820 178.359 176.600 -0.102 0.000 1.029 448 E CA -0.057 56.245 56.400 -0.165 0.000 0.896 448 E CB -0.220 29.409 29.700 -0.119 0.000 1.012 448 E HN 0.651 nan 8.360 nan 0.000 0.475 449 L N 0.610 121.762 121.223 -0.118 0.000 1.970 449 L HA -0.121 4.217 4.340 -0.004 0.000 0.212 449 L C 0.749 177.623 176.870 0.006 0.000 1.071 449 L CA 1.189 56.001 54.840 -0.047 0.000 0.751 449 L CB -0.171 41.867 42.059 -0.035 0.000 0.889 449 L HN 0.068 nan 8.230 nan 0.000 0.432 450 N N -0.738 117.986 118.700 0.040 0.000 2.710 450 N HA 0.145 4.882 4.740 -0.004 0.000 0.244 450 N C -2.160 173.374 175.510 0.040 0.000 1.321 450 N CA -0.671 52.396 53.050 0.029 0.000 0.758 450 N CB 1.723 40.221 38.487 0.018 0.000 1.284 450 N HN -0.018 nan 8.380 nan 0.000 0.530 451 P HA -0.065 nan 4.420 nan 0.000 0.221 451 P C 0.690 178.036 177.300 0.078 0.000 1.150 451 P CA 1.269 64.422 63.100 0.087 0.000 0.800 451 P CB 0.669 32.439 31.700 0.117 0.000 0.787 452 E N -0.128 120.097 120.200 0.042 0.000 2.076 452 E HA -0.074 4.274 4.350 -0.004 0.000 0.190 452 E C 2.302 178.904 176.600 0.003 0.000 0.979 452 E CA 0.879 57.294 56.400 0.025 0.000 0.807 452 E CB -0.575 29.132 29.700 0.012 0.000 0.761 452 E HN 0.166 nan 8.360 nan 0.000 0.454 453 R N -0.611 119.879 120.500 -0.016 0.000 2.210 453 R HA 0.145 4.483 4.340 -0.004 0.000 0.203 453 R C -0.360 175.889 176.300 -0.085 0.000 1.010 453 R CA 0.569 56.635 56.100 -0.056 0.000 1.008 453 R CB 0.307 30.565 30.300 -0.071 0.000 0.923 453 R HN 0.133 nan 8.270 nan 0.000 0.469 454 c N 0.666 119.226 118.600 -0.066 0.000 2.547 454 c HA 0.386 4.953 4.570 -0.004 0.000 0.327 454 c C -0.059 173.990 174.090 -0.069 0.000 1.076 454 c CA -0.704 55.520 56.329 -0.175 0.000 1.390 454 c CB 1.404 43.783 42.510 -0.219 0.000 1.918 454 c HN 0.516 nan 8.230 nan 0.000 0.438 455 Q N 0.346 120.104 119.800 -0.069 0.000 2.113 455 Q HA 0.211 4.548 4.340 -0.004 0.000 0.225 455 Q C -0.876 175.176 176.000 0.088 0.000 0.786 455 Q CA 0.139 55.988 55.803 0.077 0.000 0.989 455 Q CB 1.412 30.220 28.738 0.115 0.000 1.174 455 Q HN 0.778 nan 8.270 nan 0.000 0.470 456 Y N 0.381 120.560 120.300 -0.203 0.000 2.349 456 Y HA 0.394 4.942 4.550 -0.004 0.000 0.324 456 Y C -1.642 174.095 175.900 -0.272 0.000 1.005 456 Y CA -1.031 56.982 58.100 -0.145 0.000 1.240 456 Y CB 0.855 39.247 38.460 -0.115 0.000 1.117 456 Y HN -0.091 nan 8.280 nan 0.000 0.463 457 Y N 2.621 122.858 120.300 -0.106 0.000 2.446 457 Y HA 0.624 5.171 4.550 -0.004 0.000 0.345 457 Y C 0.139 175.991 175.900 -0.079 0.000 0.984 457 Y CA -0.617 57.434 58.100 -0.081 0.000 1.058 457 Y CB 2.276 40.653 38.460 -0.139 0.000 1.220 457 Y HN 0.551 nan 8.280 nan 0.000 0.455 458 S N 1.143 116.938 115.700 0.157 0.000 2.671 458 S HA 0.879 5.346 4.470 -0.004 0.000 0.299 458 S C -1.464 173.209 174.600 0.121 0.000 1.116 458 S CA -0.793 57.482 58.200 0.125 0.000 0.912 458 S CB 1.927 65.212 63.200 0.140 0.000 1.130 458 S HN 0.580 nan 8.310 nan 0.000 0.501 459 V N 0.152 120.129 119.914 0.105 0.000 3.007 459 V HA 0.841 4.959 4.120 -0.004 0.000 0.311 459 V C -1.151 175.007 176.094 0.108 0.000 1.120 459 V CA -0.368 61.960 62.300 0.046 0.000 0.980 459 V CB 2.326 34.087 31.823 -0.102 0.000 1.033 459 V HN 1.111 nan 8.190 nan 0.000 0.429 460 S N 4.793 120.548 115.700 0.092 0.000 2.774 460 S HA 0.646 5.113 4.470 -0.004 0.000 0.297 460 S C -1.136 173.602 174.600 0.229 0.000 1.143 460 S CA -0.387 57.964 58.200 0.251 0.000 1.090 460 S CB 0.301 63.707 63.200 0.344 0.000 1.019 460 S HN 0.501 nan 8.310 nan 0.000 0.482 461 F N 3.204 123.228 119.950 0.124 0.000 2.375 461 F HA 0.395 4.920 4.527 -0.004 0.000 0.333 461 F C 1.468 176.903 175.800 -0.608 0.000 1.104 461 F CA -0.193 57.720 58.000 -0.145 0.000 1.149 461 F CB 1.293 40.189 39.000 -0.175 0.000 1.190 461 F HN 0.628 nan 8.300 nan 0.000 0.533 462 S N 2.465 117.575 115.700 -0.984 0.000 2.612 462 S HA 0.091 4.559 4.470 -0.004 0.000 0.253 462 S C 1.289 175.678 174.600 -0.352 0.000 1.346 462 S CA -0.712 56.689 58.200 -1.332 0.000 0.976 462 S CB 0.652 63.111 63.200 -1.234 0.000 0.949 462 S HN 0.559 nan 8.310 nan 0.000 0.584 463 K N 0.875 121.200 120.400 -0.124 0.000 2.063 463 K HA -0.049 4.268 4.320 -0.004 0.000 0.208 463 K C 1.012 177.626 176.600 0.023 0.000 1.048 463 K CA 1.451 57.756 56.287 0.030 0.000 0.928 463 K CB -0.455 32.105 32.500 0.099 0.000 0.713 463 K HN 0.688 nan 8.250 nan 0.000 0.442 464 E N -0.496 119.708 120.200 0.006 0.000 2.496 464 E HA 0.249 4.597 4.350 -0.004 0.000 0.202 464 E C 0.034 176.618 176.600 -0.027 0.000 1.021 464 E CA -0.026 56.381 56.400 0.011 0.000 1.015 464 E CB 0.486 30.208 29.700 0.037 0.000 1.102 464 E HN 0.212 nan 8.360 nan 0.000 0.452 465 A N 1.327 124.111 122.820 -0.060 0.000 2.847 465 A HA -0.325 3.992 4.320 -0.004 0.000 0.263 465 A C 1.553 179.130 177.584 -0.012 0.000 1.391 465 A CA 1.704 53.715 52.037 -0.043 0.000 0.866 465 A CB -2.037 16.793 19.000 -0.283 0.000 1.057 465 A HN 0.301 nan 8.150 nan 0.000 0.673 466 K N -1.789 118.551 120.400 -0.100 0.000 2.217 466 K HA 0.061 4.379 4.320 -0.004 0.000 0.202 466 K C -0.013 176.257 176.600 -0.550 0.000 1.051 466 K CA 1.390 57.509 56.287 -0.281 0.000 0.952 466 K CB -0.017 32.316 32.500 -0.278 0.000 0.736 466 K HN 0.680 nan 8.250 nan 0.000 0.453 467 Y N -0.759 119.474 120.300 -0.112 0.000 2.545 467 Y HA 0.301 4.848 4.550 -0.004 0.000 0.348 467 Y C -0.944 174.877 175.900 -0.131 0.000 1.002 467 Y CA -1.405 56.618 58.100 -0.129 0.000 1.039 467 Y CB 1.622 40.023 38.460 -0.097 0.000 1.271 467 Y HN -0.054 nan 8.280 nan 0.000 0.467 468 Y N -0.938 119.330 120.300 -0.053 0.000 2.492 468 Y HA 0.570 5.118 4.550 -0.004 0.000 0.346 468 Y C -0.992 174.926 175.900 0.030 0.000 0.997 468 Y CA -1.586 56.338 58.100 -0.293 0.000 1.025 468 Y CB 1.455 39.245 38.460 -1.116 0.000 1.263 468 Y HN 0.589 nan 8.280 nan 0.000 0.454 469 Q N 3.564 123.487 119.800 0.204 0.000 2.278 469 Q HA 0.525 4.862 4.340 -0.004 0.000 0.257 469 Q C -1.666 174.429 176.000 0.160 0.000 0.928 469 Q CA -0.625 55.262 55.803 0.140 0.000 0.932 469 Q CB 1.143 29.936 28.738 0.093 0.000 1.221 469 Q HN 0.959 nan 8.270 nan 0.000 0.434 470 L N 4.032 125.378 121.223 0.204 0.000 2.307 470 L HA 0.528 4.866 4.340 -0.004 0.000 0.282 470 L C 0.020 176.970 176.870 0.134 0.000 1.051 470 L CA -0.482 54.475 54.840 0.195 0.000 0.804 470 L CB 1.428 43.614 42.059 0.211 0.000 1.197 470 L HN 0.550 nan 8.230 nan 0.000 0.431 471 R N 3.274 123.831 120.500 0.094 0.000 2.358 471 R HA 0.300 4.637 4.340 -0.004 0.000 0.309 471 R C -1.037 175.122 176.300 -0.235 0.000 1.026 471 R CA -0.508 55.485 56.100 -0.179 0.000 0.909 471 R CB 1.195 31.461 30.300 -0.057 0.000 1.153 471 R HN 0.747 nan 8.270 nan 0.000 0.515 472 c N 4.124 122.458 118.600 -0.443 0.000 2.394 472 c HA 0.337 4.905 4.570 -0.004 0.000 0.362 472 c C 1.444 175.276 174.090 -0.430 0.000 1.268 472 c CA -0.166 55.784 56.329 -0.630 0.000 1.828 472 c CB 0.216 42.324 42.510 -0.671 0.000 2.442 472 c HN 0.918 nan 8.230 nan 0.000 0.549 473 S N 3.909 119.451 115.700 -0.263 0.000 2.578 473 S HA 0.591 5.059 4.470 -0.004 0.000 0.231 473 S C 0.450 174.991 174.600 -0.097 0.000 0.994 473 S CA 0.256 58.369 58.200 -0.144 0.000 0.956 473 S CB -0.013 63.148 63.200 -0.065 0.000 0.870 473 S HN 1.919 nan 8.310 nan 0.000 0.494 474 G N 1.634 110.361 108.800 -0.122 0.000 2.321 474 G HA2 0.384 4.342 3.960 -0.004 0.000 0.298 474 G HA3 0.384 4.342 3.960 -0.004 0.000 0.298 474 G C -3.074 171.791 174.900 -0.058 0.000 1.385 474 G CA -0.483 44.587 45.100 -0.051 0.000 0.856 474 G HN -0.112 nan 8.290 nan 0.000 0.584 475 P HA 0.156 nan 4.420 nan 0.000 0.236 475 P C 1.288 178.612 177.300 0.041 0.000 1.177 475 P CA 1.235 64.356 63.100 0.034 0.000 0.773 475 P CB 0.461 32.180 31.700 0.031 0.000 0.878 476 G N 0.468 109.225 108.800 -0.072 0.000 2.508 476 G HA2 0.389 4.347 3.960 -0.004 0.000 0.278 476 G HA3 0.389 4.347 3.960 -0.004 0.000 0.278 476 G C -0.273 174.383 174.900 -0.407 0.000 1.389 476 G CA -0.744 44.238 45.100 -0.197 0.000 1.050 476 G HN 0.036 nan 8.290 nan 0.000 0.522 477 L N 1.259 122.158 121.223 -0.540 0.000 2.490 477 L HA 0.143 4.480 4.340 -0.004 0.000 0.274 477 L C -1.845 174.848 176.870 -0.295 0.000 1.201 477 L CA -1.238 53.251 54.840 -0.586 0.000 0.869 477 L CB 0.548 42.350 42.059 -0.428 0.000 1.123 477 L HN 0.238 nan 8.230 nan 0.000 0.484 478 P HA 0.008 nan 4.420 nan 0.000 0.265 478 P C -0.888 176.322 177.300 -0.150 0.000 1.187 478 P CA 0.045 63.042 63.100 -0.172 0.000 0.766 478 P CB 0.536 32.223 31.700 -0.022 0.000 0.820 479 L N 5.134 126.171 121.223 -0.309 0.000 2.409 479 L HA 0.500 4.838 4.340 -0.004 0.000 0.272 479 L C -1.753 174.931 176.870 -0.311 0.000 0.980 479 L CA -0.690 54.044 54.840 -0.176 0.000 0.826 479 L CB 1.010 42.989 42.059 -0.134 0.000 1.268 479 L HN 0.218 nan 8.230 nan 0.000 0.407 480 Y N 2.594 122.847 120.300 -0.079 0.000 2.341 480 Y HA 0.780 5.328 4.550 -0.004 0.000 0.338 480 Y C 0.359 176.137 175.900 -0.204 0.000 0.965 480 Y CA -0.550 57.481 58.100 -0.114 0.000 1.108 480 Y CB 2.235 40.613 38.460 -0.137 0.000 1.180 480 Y HN 0.677 nan 8.280 nan 0.000 0.458 481 T N 0.717 115.239 114.554 -0.053 0.000 2.900 481 T HA 0.709 5.057 4.350 -0.004 0.000 0.303 481 T C -1.632 172.868 174.700 -0.334 0.000 1.142 481 T CA -0.839 61.135 62.100 -0.209 0.000 1.007 481 T CB 1.951 70.743 68.868 -0.127 0.000 1.156 481 T HN 0.411 nan 8.240 nan 0.000 0.490 482 L N 1.871 122.766 121.223 -0.546 0.000 2.346 482 L HA 0.661 4.998 4.340 -0.004 0.000 0.274 482 L C -0.874 175.527 176.870 -0.782 0.000 1.007 482 L CA -0.339 54.220 54.840 -0.468 0.000 0.818 482 L CB 1.336 43.227 42.059 -0.280 0.000 1.284 482 L HN 0.830 nan 8.230 nan 0.000 0.424 483 H N 1.417 120.260 119.070 -0.378 0.000 2.851 483 H HA 0.493 5.046 4.556 -0.004 0.000 0.372 483 H C -0.941 174.142 175.328 -0.409 0.000 1.158 483 H CA -0.829 54.888 56.048 -0.551 0.000 1.159 483 H CB 1.978 31.059 29.762 -1.134 0.000 1.757 483 H HN 0.581 nan 8.280 nan 0.000 0.546 484 S N 0.691 116.326 115.700 -0.108 0.000 2.480 484 S HA 0.186 4.653 4.470 -0.004 0.000 0.286 484 S C 0.809 175.359 174.600 -0.084 0.000 1.180 484 S CA -0.753 57.383 58.200 -0.107 0.000 1.075 484 S CB 1.658 64.826 63.200 -0.053 0.000 0.996 484 S HN 0.562 nan 8.310 nan 0.000 0.487 485 S N 1.877 117.544 115.700 -0.054 0.000 2.453 485 S HA -0.083 4.385 4.470 -0.004 0.000 0.231 485 S C 1.779 176.405 174.600 0.044 0.000 1.005 485 S CA 0.646 58.931 58.200 0.143 0.000 0.949 485 S CB -0.291 62.997 63.200 0.146 0.000 0.774 485 S HN 0.671 nan 8.310 nan 0.000 0.510 486 V N 3.660 123.546 119.914 -0.047 0.000 2.490 486 V HA -0.131 3.986 4.120 -0.004 0.000 0.250 486 V C 1.189 177.277 176.094 -0.011 0.000 1.061 486 V CA 2.078 64.360 62.300 -0.030 0.000 1.064 486 V CB -0.462 31.325 31.823 -0.059 0.000 0.670 486 V HN 0.830 nan 8.190 nan 0.000 0.461 487 N N -3.197 115.497 118.700 -0.011 0.000 2.116 487 N HA 0.050 4.787 4.740 -0.004 0.000 0.230 487 N C -0.308 175.203 175.510 0.001 0.000 1.326 487 N CA 0.286 53.332 53.050 -0.007 0.000 0.867 487 N CB 0.540 39.023 38.487 -0.006 0.000 1.174 487 N HN 0.294 nan 8.380 nan 0.000 0.506 488 D N 1.050 121.467 120.400 0.030 0.000 2.792 488 D HA -0.130 4.507 4.640 -0.004 0.000 0.231 488 D C -0.578 175.739 176.300 0.029 0.000 1.160 488 D CA 1.147 55.186 54.000 0.065 0.000 0.697 488 D CB -0.408 40.420 40.800 0.047 0.000 1.070 488 D HN 0.435 nan 8.370 nan 0.000 0.426 489 K N 0.442 120.850 120.400 0.014 0.000 2.174 489 K HA 0.433 4.750 4.320 -0.004 0.000 0.275 489 K C 0.922 177.537 176.600 0.026 0.000 1.015 489 K CA -0.415 55.881 56.287 0.015 0.000 0.933 489 K CB 1.232 33.730 32.500 -0.003 0.000 1.025 489 K HN 0.103 nan 8.250 nan 0.000 0.463 490 G N 2.626 111.451 108.800 0.042 0.000 2.343 490 G HA2 0.164 4.121 3.960 -0.004 0.000 0.254 490 G HA3 0.164 4.121 3.960 -0.004 0.000 0.254 490 G C 0.953 175.762 174.900 -0.150 0.000 1.277 490 G CA -0.328 44.724 45.100 -0.080 0.000 0.909 490 G HN 0.530 nan 8.290 nan 0.000 0.502 491 L N 1.939 123.014 121.223 -0.247 0.000 2.130 491 L HA 0.300 4.638 4.340 -0.004 0.000 0.200 491 L C 1.601 178.375 176.870 -0.159 0.000 1.075 491 L CA 0.837 55.581 54.840 -0.160 0.000 0.768 491 L CB -0.126 41.848 42.059 -0.142 0.000 0.933 491 L HN 0.769 nan 8.230 nan 0.000 0.451 492 R N -1.926 118.435 120.500 -0.232 0.000 2.753 492 R HA 0.347 4.685 4.340 -0.004 0.000 0.272 492 R C -1.626 174.528 176.300 -0.243 0.000 1.034 492 R CA -0.877 55.109 56.100 -0.190 0.000 0.869 492 R CB 1.211 31.425 30.300 -0.143 0.000 1.264 492 R HN -0.274 nan 8.270 nan 0.000 0.481 493 V N 3.227 123.029 119.914 -0.186 0.000 2.488 493 V HA 0.135 4.253 4.120 -0.004 0.000 0.277 493 V C 1.414 177.358 176.094 -0.249 0.000 1.046 493 V CA -0.251 61.939 62.300 -0.184 0.000 0.986 493 V CB 1.025 32.782 31.823 -0.110 0.000 0.989 493 V HN 0.651 nan 8.190 nan 0.000 0.475 494 L N 2.481 123.487 121.223 -0.361 0.000 2.145 494 L HA 0.276 4.613 4.340 -0.004 0.000 0.201 494 L C 0.753 177.387 176.870 -0.393 0.000 1.075 494 L CA 0.777 55.225 54.840 -0.653 0.000 0.773 494 L CB 0.199 41.480 42.059 -1.298 0.000 0.936 494 L HN 0.683 nan 8.230 nan 0.000 0.451 495 E N -0.178 119.923 120.200 -0.166 0.000 2.343 495 E HA 0.093 4.441 4.350 -0.004 0.000 0.288 495 E C -1.158 175.501 176.600 0.097 0.000 0.907 495 E CA -0.335 56.073 56.400 0.013 0.000 0.792 495 E CB 1.103 30.829 29.700 0.043 0.000 1.275 495 E HN 0.168 nan 8.360 nan 0.000 0.402 496 D N 3.146 123.574 120.400 0.047 0.000 2.469 496 D HA 0.125 4.762 4.640 -0.004 0.000 0.213 496 D C -0.269 176.041 176.300 0.018 0.000 1.135 496 D CA -0.217 53.797 54.000 0.025 0.000 0.834 496 D CB -0.022 40.771 40.800 -0.011 0.000 1.009 496 D HN 0.447 nan 8.370 nan 0.000 0.507 497 N N 0.454 119.181 118.700 0.046 0.000 2.725 497 N HA -0.208 4.529 4.740 -0.004 0.000 0.249 497 N C 0.934 176.449 175.510 0.009 0.000 1.103 497 N CA 0.911 53.981 53.050 0.034 0.000 0.707 497 N CB -1.352 37.148 38.487 0.021 0.000 1.043 497 N HN 0.484 nan 8.380 nan 0.000 0.553 498 S N -1.253 114.454 115.700 0.011 0.000 2.402 498 S HA -0.009 4.459 4.470 -0.004 0.000 0.229 498 S C 2.099 176.712 174.600 0.022 0.000 1.021 498 S CA 0.913 59.117 58.200 0.006 0.000 0.974 498 S CB -0.072 63.131 63.200 0.006 0.000 0.800 498 S HN 0.505 nan 8.310 nan 0.000 0.484 499 A N 2.333 125.175 122.820 0.037 0.000 1.865 499 A HA 0.020 4.338 4.320 -0.004 0.000 0.217 499 A C 2.243 179.869 177.584 0.071 0.000 1.191 499 A CA 1.691 53.760 52.037 0.053 0.000 0.623 499 A CB -1.074 17.961 19.000 0.058 0.000 0.826 499 A HN 0.520 nan 8.150 nan 0.000 0.444 500 L N 0.406 121.675 121.223 0.077 0.000 2.042 500 L HA -0.199 4.138 4.340 -0.004 0.000 0.210 500 L C 1.984 178.887 176.870 0.055 0.000 1.076 500 L CA 2.884 57.785 54.840 0.101 0.000 0.749 500 L CB -0.806 41.312 42.059 0.099 0.000 0.893 500 L HN 0.540 nan 8.230 nan 0.000 0.432 501 D N -0.833 119.571 120.400 0.006 0.000 2.133 501 D HA -0.263 4.375 4.640 -0.004 0.000 0.195 501 D C 2.193 178.497 176.300 0.006 0.000 0.997 501 D CA 1.346 55.333 54.000 -0.021 0.000 0.840 501 D CB -0.067 40.712 40.800 -0.036 0.000 0.947 501 D HN 0.132 nan 8.370 nan 0.000 0.452 502 K N -0.115 120.301 120.400 0.027 0.000 2.026 502 K HA -0.115 4.203 4.320 -0.004 0.000 0.208 502 K C 2.232 178.869 176.600 0.062 0.000 1.048 502 K CA 0.965 57.276 56.287 0.039 0.000 0.929 502 K CB -0.354 32.172 32.500 0.043 0.000 0.713 502 K HN 0.329 nan 8.250 nan 0.000 0.439 503 M N 0.447 120.106 119.600 0.099 0.000 2.086 503 M HA -0.168 4.310 4.480 -0.004 0.000 0.261 503 M C 2.149 178.497 176.300 0.079 0.000 1.067 503 M CA 1.441 56.842 55.300 0.169 0.000 1.116 503 M CB -0.267 32.528 32.600 0.324 0.000 1.348 503 M HN 0.065 nan 8.290 nan 0.000 0.407 504 L N -0.184 121.032 121.223 -0.012 0.000 2.465 504 L HA -0.167 4.170 4.340 -0.004 0.000 0.224 504 L C 2.464 179.303 176.870 -0.052 0.000 1.145 504 L CA 0.373 55.147 54.840 -0.111 0.000 0.834 504 L CB -0.620 41.383 42.059 -0.094 0.000 0.944 504 L HN 0.376 nan 8.230 nan 0.000 0.451 505 Q N 0.296 120.091 119.800 -0.009 0.000 2.170 505 Q HA -0.114 4.223 4.340 -0.004 0.000 0.203 505 Q C 1.194 177.205 176.000 0.018 0.000 0.976 505 Q CA 1.041 56.847 55.803 0.005 0.000 0.858 505 Q CB -0.243 28.505 28.738 0.016 0.000 0.907 505 Q HN 0.618 nan 8.270 nan 0.000 0.433 506 N N 0.268 118.987 118.700 0.033 0.000 2.313 506 N HA 0.064 4.802 4.740 -0.004 0.000 0.207 506 N C -0.396 175.147 175.510 0.055 0.000 1.141 506 N CA 0.130 53.212 53.050 0.054 0.000 0.830 506 N CB 1.127 39.663 38.487 0.081 0.000 1.008 506 N HN -0.043 nan 8.380 nan 0.000 0.481 507 V N 0.996 120.919 119.914 0.014 0.000 2.588 507 V HA 0.194 4.311 4.120 -0.004 0.000 0.304 507 V C 0.091 176.188 176.094 0.004 0.000 1.042 507 V CA -0.909 61.396 62.300 0.009 0.000 0.877 507 V CB 2.537 34.303 31.823 -0.096 0.000 0.996 507 V HN 0.007 nan 8.190 nan 0.000 0.425 508 Q N 4.429 124.248 119.800 0.033 0.000 2.409 508 Q HA 0.282 4.619 4.340 -0.004 0.000 0.240 508 Q C -0.449 175.533 176.000 -0.031 0.000 1.226 508 Q CA -0.066 55.735 55.803 -0.004 0.000 0.895 508 Q CB 0.336 29.099 28.738 0.040 0.000 1.491 508 Q HN 0.512 nan 8.270 nan 0.000 0.509 509 M N 3.961 123.520 119.600 -0.068 0.000 2.274 509 M HA 0.370 4.848 4.480 -0.004 0.000 0.344 509 M C -1.967 174.262 176.300 -0.118 0.000 1.161 509 M CA -2.551 52.697 55.300 -0.086 0.000 1.126 509 M CB 0.307 32.862 32.600 -0.076 0.000 1.522 509 M HN 0.312 nan 8.290 nan 0.000 0.461 510 P HA 0.237 nan 4.420 nan 0.000 0.274 510 P C -0.759 176.449 177.300 -0.153 0.000 1.256 510 P CA -0.332 62.672 63.100 -0.159 0.000 0.795 510 P CB 0.523 32.114 31.700 -0.181 0.000 1.038 511 S N -0.855 114.740 115.700 -0.175 0.000 2.704 511 S HA 0.611 5.078 4.470 -0.004 0.000 0.305 511 S C -0.540 173.950 174.600 -0.182 0.000 1.107 511 S CA -0.807 57.300 58.200 -0.154 0.000 0.993 511 S CB 1.708 64.820 63.200 -0.147 0.000 1.110 511 S HN 0.482 nan 8.310 nan 0.000 0.534 512 K N 0.582 120.898 120.400 -0.139 0.000 2.376 512 K HA 0.398 4.716 4.320 -0.004 0.000 0.257 512 K C -1.162 175.364 176.600 -0.124 0.000 0.939 512 K CA -0.513 55.693 56.287 -0.134 0.000 0.809 512 K CB 1.247 33.691 32.500 -0.094 0.000 1.121 512 K HN 0.703 nan 8.250 nan 0.000 0.425 513 K N 5.024 125.333 120.400 -0.151 0.000 2.213 513 K HA 0.301 4.618 4.320 -0.004 0.000 0.270 513 K C -1.448 175.074 176.600 -0.130 0.000 1.002 513 K CA -0.806 55.401 56.287 -0.134 0.000 0.868 513 K CB 0.866 33.271 32.500 -0.157 0.000 1.093 513 K HN 0.463 nan 8.250 nan 0.000 0.454 514 L N 4.121 125.288 121.223 -0.094 0.000 2.325 514 L HA 0.550 4.888 4.340 -0.004 0.000 0.281 514 L C -1.245 175.586 176.870 -0.066 0.000 1.004 514 L CA 0.158 54.967 54.840 -0.053 0.000 0.823 514 L CB 1.475 43.581 42.059 0.079 0.000 1.236 514 L HN 0.809 nan 8.230 nan 0.000 0.415 515 D N 2.645 122.859 120.400 -0.310 0.000 2.779 515 D HA 0.493 5.130 4.640 -0.004 0.000 0.331 515 D C -1.663 174.311 176.300 -0.544 0.000 1.331 515 D CA -0.064 53.665 54.000 -0.452 0.000 0.866 515 D CB 1.493 41.984 40.800 -0.514 0.000 1.409 515 D HN 0.248 nan 8.370 nan 0.000 0.486 516 F N -0.063 119.584 119.950 -0.505 0.000 2.588 516 F HA 0.741 5.265 4.527 -0.004 0.000 0.314 516 F C -0.481 175.384 175.800 0.108 0.000 1.069 516 F CA -1.130 56.639 58.000 -0.384 0.000 0.931 516 F CB 0.901 39.183 39.000 -1.197 0.000 1.260 516 F HN 0.271 nan 8.300 nan 0.000 0.465 517 I N 0.300 121.157 120.570 0.479 0.000 2.750 517 I HA 0.678 4.845 4.170 -0.004 0.000 0.308 517 I C -1.174 175.174 176.117 0.385 0.000 1.016 517 I CA -1.185 60.328 61.300 0.355 0.000 1.098 517 I CB 2.232 40.382 38.000 0.250 0.000 1.279 517 I HN 0.648 nan 8.210 nan 0.000 0.454 518 I N 4.924 125.661 120.570 0.278 0.000 2.330 518 I HA 0.383 4.551 4.170 -0.004 0.000 0.289 518 I C -0.809 175.434 176.117 0.211 0.000 1.001 518 I CA -0.359 61.075 61.300 0.223 0.000 1.193 518 I CB 1.281 39.377 38.000 0.160 0.000 1.345 518 I HN 0.378 nan 8.210 nan 0.000 0.461 519 L N 6.860 128.265 121.223 0.303 0.000 2.349 519 L HA 0.470 4.807 4.340 -0.004 0.000 0.278 519 L C -0.185 176.822 176.870 0.229 0.000 0.996 519 L CA -0.844 54.152 54.840 0.259 0.000 0.825 519 L CB 1.285 43.519 42.059 0.292 0.000 1.243 519 L HN 0.572 nan 8.230 nan 0.000 0.412 520 N N 3.042 121.815 118.700 0.120 0.000 2.714 520 N HA -0.213 4.525 4.740 -0.004 0.000 0.253 520 N C 0.101 175.649 175.510 0.063 0.000 1.024 520 N CA 1.229 54.326 53.050 0.079 0.000 0.726 520 N CB -0.879 37.649 38.487 0.068 0.000 0.908 520 N HN 0.859 nan 8.380 nan 0.000 0.542 521 E N -3.413 116.818 120.200 0.051 0.000 2.883 521 E HA -0.256 4.092 4.350 -0.004 0.000 0.271 521 E C -0.666 175.924 176.600 -0.016 0.000 1.049 521 E CA 1.360 57.772 56.400 0.020 0.000 0.817 521 E CB -1.502 28.203 29.700 0.008 0.000 1.407 521 E HN 0.511 nan 8.360 nan 0.000 0.434 522 T N 0.589 115.134 114.554 -0.016 0.000 2.824 522 T HA 0.353 4.701 4.350 -0.004 0.000 0.282 522 T C -0.109 174.438 174.700 -0.255 0.000 0.993 522 T CA -0.790 61.204 62.100 -0.177 0.000 0.967 522 T CB 1.605 70.316 68.868 -0.261 0.000 0.960 522 T HN -0.005 nan 8.240 nan 0.000 0.441 523 K N 2.280 122.468 120.400 -0.353 0.000 2.379 523 K HA 0.386 4.703 4.320 -0.004 0.000 0.284 523 K C -0.985 175.343 176.600 -0.453 0.000 1.044 523 K CA 0.115 56.191 56.287 -0.351 0.000 0.974 523 K CB 0.344 32.497 32.500 -0.578 0.000 0.962 523 K HN 0.439 nan 8.250 nan 0.000 0.474 524 F N 2.235 122.243 119.950 0.096 0.000 2.493 524 F HA 0.312 4.837 4.527 -0.004 0.000 0.329 524 F C -0.471 175.437 175.800 0.179 0.000 1.126 524 F CA -0.876 57.204 58.000 0.133 0.000 0.937 524 F CB 1.024 40.122 39.000 0.163 0.000 1.146 524 F HN 0.412 nan 8.300 nan 0.000 0.442 525 W N 3.851 125.305 121.300 0.256 0.000 2.313 525 W HA 0.504 5.161 4.660 -0.004 0.000 0.328 525 W C -0.638 176.081 176.519 0.332 0.000 1.197 525 W CA -0.619 56.898 57.345 0.287 0.000 1.235 525 W CB 0.644 30.204 29.460 0.167 0.000 1.158 525 W HN 0.436 nan 8.180 nan 0.000 0.578 526 Y N -0.200 120.416 120.300 0.527 0.000 2.588 526 Y HA 0.644 5.192 4.550 -0.004 0.000 0.343 526 Y C -0.853 175.261 175.900 0.357 0.000 1.065 526 Y CA -1.811 56.597 58.100 0.513 0.000 1.038 526 Y CB 1.128 40.051 38.460 0.771 0.000 1.297 526 Y HN 0.569 nan 8.280 nan 0.000 0.467 527 Q N 2.394 122.377 119.800 0.305 0.000 2.433 527 Q HA 0.765 5.102 4.340 -0.004 0.000 0.279 527 Q C -1.713 174.371 176.000 0.138 0.000 1.105 527 Q CA -1.209 54.656 55.803 0.102 0.000 0.815 527 Q CB 3.286 32.070 28.738 0.077 0.000 1.403 527 Q HN 0.878 nan 8.270 nan 0.000 0.435 528 M N 2.346 121.947 119.600 0.002 0.000 2.263 528 M HA 0.394 4.872 4.480 -0.004 0.000 0.295 528 M C -1.286 174.913 176.300 -0.169 0.000 1.028 528 M CA -0.915 54.327 55.300 -0.096 0.000 0.921 528 M CB 2.127 34.625 32.600 -0.170 0.000 1.601 528 M HN 0.604 nan 8.290 nan 0.000 0.440 529 I N 5.316 125.790 120.570 -0.159 0.000 2.322 529 I HA 0.287 4.455 4.170 -0.004 0.000 0.292 529 I C -0.381 175.567 176.117 -0.282 0.000 1.060 529 I CA -0.113 61.068 61.300 -0.199 0.000 1.309 529 I CB -0.207 37.698 38.000 -0.158 0.000 1.415 529 I HN 0.629 nan 8.210 nan 0.000 0.492 530 L N 8.528 129.532 121.223 -0.365 0.000 2.295 530 L HA 0.459 4.797 4.340 -0.004 0.000 0.285 530 L C -2.172 174.500 176.870 -0.330 0.000 1.035 530 L CA -1.859 52.667 54.840 -0.524 0.000 0.806 530 L CB 1.284 42.819 42.059 -0.873 0.000 1.214 530 L HN 0.278 nan 8.230 nan 0.000 0.426 531 P HA 0.039 nan 4.420 nan 0.000 0.267 531 P C -2.465 174.792 177.300 -0.073 0.000 1.201 531 P CA -0.726 62.311 63.100 -0.105 0.000 0.775 531 P CB -0.221 31.482 31.700 0.005 0.000 0.854 532 P HA -0.019 nan 4.420 nan 0.000 0.267 532 P C -0.444 176.770 177.300 -0.144 0.000 1.200 532 P CA 0.487 63.444 63.100 -0.239 0.000 0.772 532 P CB -0.322 31.190 31.700 -0.313 0.000 0.855 533 H N -1.793 117.313 119.070 0.060 0.000 2.741 533 H HA -0.228 4.325 4.556 -0.004 0.000 0.305 533 H C -0.012 175.371 175.328 0.092 0.000 1.169 533 H CA -0.191 55.895 56.048 0.063 0.000 1.144 533 H CB -2.482 27.309 29.762 0.047 0.000 1.397 533 H HN 0.317 nan 8.280 nan 0.000 0.409 534 F N 2.298 122.237 119.950 -0.018 0.000 2.612 534 F HA 0.081 4.605 4.527 -0.004 0.000 0.389 534 F C 0.531 176.334 175.800 0.006 0.000 1.055 534 F CA -0.072 57.870 58.000 -0.096 0.000 1.232 534 F CB 0.430 39.253 39.000 -0.295 0.000 1.044 534 F HN 0.252 nan 8.300 nan 0.000 0.560 535 D N 5.930 125.988 120.400 -0.571 0.000 2.453 535 D HA 0.149 4.787 4.640 -0.004 0.000 0.238 535 D C 0.683 176.606 176.300 -0.628 0.000 1.088 535 D CA -0.584 53.158 54.000 -0.430 0.000 0.854 535 D CB 1.154 41.873 40.800 -0.134 0.000 1.076 535 D HN 0.663 nan 8.370 nan 0.000 0.533 536 K N 0.893 120.956 120.400 -0.562 0.000 2.286 536 K HA -0.187 4.130 4.320 -0.004 0.000 0.203 536 K C 1.280 177.883 176.600 0.006 0.000 1.045 536 K CA 1.535 57.699 56.287 -0.205 0.000 0.935 536 K CB -0.214 32.301 32.500 0.024 0.000 0.737 536 K HN 0.231 nan 8.250 nan 0.000 0.460 537 S N -0.227 115.442 115.700 -0.051 0.000 2.593 537 S HA 0.122 4.589 4.470 -0.004 0.000 0.217 537 S C 0.227 174.802 174.600 -0.041 0.000 0.966 537 S CA -0.475 57.713 58.200 -0.020 0.000 0.914 537 S CB 0.036 63.218 63.200 -0.031 0.000 0.776 537 S HN 0.195 nan 8.310 nan 0.000 0.523 538 K N 1.220 121.580 120.400 -0.067 0.000 2.123 538 K HA 0.452 4.770 4.320 -0.004 0.000 0.248 538 K C -0.593 175.949 176.600 -0.096 0.000 0.969 538 K CA -0.811 55.375 56.287 -0.168 0.000 0.882 538 K CB 0.804 33.075 32.500 -0.383 0.000 1.080 538 K HN -0.042 nan 8.250 nan 0.000 0.441 539 K N 2.497 122.786 120.400 -0.184 0.000 2.240 539 K HA 0.261 4.578 4.320 -0.004 0.000 0.271 539 K C -0.982 175.497 176.600 -0.202 0.000 1.018 539 K CA -0.315 55.931 56.287 -0.067 0.000 0.874 539 K CB 0.793 33.252 32.500 -0.068 0.000 1.098 539 K HN 0.475 nan 8.250 nan 0.000 0.458 540 Y N 2.803 123.128 120.300 0.041 0.000 2.387 540 Y HA 0.268 4.816 4.550 -0.004 0.000 0.336 540 Y C -1.787 174.050 175.900 -0.106 0.000 1.067 540 Y CA -2.378 55.721 58.100 -0.003 0.000 1.114 540 Y CB 1.249 39.767 38.460 0.096 0.000 1.208 540 Y HN 0.447 nan 8.280 nan 0.000 0.458 541 P HA 0.084 nan 4.420 nan 0.000 0.269 541 P C -1.028 176.126 177.300 -0.243 0.000 1.209 541 P CA -0.035 62.766 63.100 -0.499 0.000 0.776 541 P CB 1.212 32.230 31.700 -1.136 0.000 0.876 542 L N 3.293 124.413 121.223 -0.171 0.000 2.362 542 L HA 0.506 4.843 4.340 -0.004 0.000 0.275 542 L C -1.087 175.966 176.870 0.305 0.000 0.998 542 L CA -1.169 53.724 54.840 0.089 0.000 0.820 542 L CB 1.666 43.800 42.059 0.125 0.000 1.270 542 L HN 0.147 nan 8.230 nan 0.000 0.415 543 L N 5.535 126.957 121.223 0.331 0.000 2.287 543 L HA 0.481 4.819 4.340 -0.004 0.000 0.287 543 L C -1.111 175.990 176.870 0.385 0.000 1.022 543 L CA -0.297 54.793 54.840 0.416 0.000 0.814 543 L CB 1.496 43.754 42.059 0.332 0.000 1.217 543 L HN 0.621 nan 8.230 nan 0.000 0.420 544 L N 5.255 126.750 121.223 0.454 0.000 2.283 544 L HA 0.370 4.708 4.340 -0.004 0.000 0.287 544 L C -0.504 176.593 176.870 0.377 0.000 1.073 544 L CA 0.218 55.311 54.840 0.422 0.000 0.822 544 L CB 0.446 42.792 42.059 0.478 0.000 1.186 544 L HN 0.633 nan 8.230 nan 0.000 0.436 545 D N 4.533 125.132 120.400 0.332 0.000 2.313 545 D HA 0.305 4.942 4.640 -0.004 0.000 0.239 545 D C -1.046 175.330 176.300 0.126 0.000 1.142 545 D CA -0.048 54.066 54.000 0.190 0.000 0.847 545 D CB 1.017 41.994 40.800 0.295 0.000 1.082 545 D HN 0.260 nan 8.370 nan 0.000 0.480 546 V N 5.565 125.482 119.914 0.005 0.000 2.604 546 V HA 0.258 4.376 4.120 -0.004 0.000 0.305 546 V C -0.203 175.980 176.094 0.148 0.000 1.043 546 V CA -0.715 61.653 62.300 0.113 0.000 0.888 546 V CB 1.436 33.316 31.823 0.096 0.000 0.995 546 V HN 0.594 nan 8.190 nan 0.000 0.429 547 Y N 3.757 124.124 120.300 0.112 0.000 3.059 547 Y HA 0.549 5.096 4.550 -0.004 0.000 0.212 547 Y C 1.664 177.702 175.900 0.230 0.000 0.947 547 Y CA 1.187 59.382 58.100 0.158 0.000 1.571 547 Y CB 0.125 38.661 38.460 0.127 0.000 1.432 547 Y HN 0.749 nan 8.280 nan 0.000 0.450 548 A N 0.595 123.516 122.820 0.168 0.000 2.899 548 A HA -0.142 4.176 4.320 -0.004 0.000 0.257 548 A C 0.977 178.389 177.584 -0.287 0.000 1.335 548 A CA 0.837 52.912 52.037 0.064 0.000 0.924 548 A CB -2.491 16.613 19.000 0.174 0.000 1.105 548 A HN 0.955 nan 8.150 nan 0.000 0.765 549 G N -0.779 107.597 108.800 -0.707 0.000 2.667 549 G HA2 0.476 4.434 3.960 -0.004 0.000 0.250 549 G HA3 0.476 4.434 3.960 -0.004 0.000 0.250 549 G C -2.197 172.368 174.900 -0.558 0.000 1.212 549 G CA -0.613 43.694 45.100 -1.322 0.000 0.874 549 G HN 0.332 nan 8.290 nan 0.000 0.561 550 P HA 0.120 nan 4.420 nan 0.000 0.268 550 P C 0.579 177.715 177.300 -0.272 0.000 1.204 550 P CA -0.114 62.682 63.100 -0.507 0.000 0.768 550 P CB 0.896 31.879 31.700 -1.194 0.000 0.842 551 C N 2.162 121.380 119.300 -0.137 0.000 4.331 551 C HA -0.146 4.311 4.460 -0.004 0.000 0.293 551 C C 0.928 175.937 174.990 0.031 0.000 1.436 551 C CA 1.206 60.124 59.018 -0.167 0.000 1.993 551 C CB -2.785 24.737 27.740 -0.363 0.000 1.266 551 C HN 0.804 nan 8.230 nan 0.000 0.795 552 S N -0.085 115.692 115.700 0.128 0.000 2.652 552 S HA 0.624 5.092 4.470 -0.004 0.000 0.270 552 S C -0.669 174.087 174.600 0.261 0.000 1.243 552 S CA -0.048 58.322 58.200 0.282 0.000 0.999 552 S CB 1.734 65.166 63.200 0.387 0.000 0.973 552 S HN 0.801 nan 8.310 nan 0.000 0.544 553 Q N 0.121 120.110 119.800 0.315 0.000 2.309 553 Q HA 0.357 4.694 4.340 -0.004 0.000 0.254 553 Q C -0.726 175.409 176.000 0.224 0.000 0.938 553 Q CA -0.586 55.392 55.803 0.292 0.000 0.789 553 Q CB 1.050 30.029 28.738 0.403 0.000 1.313 553 Q HN 0.700 nan 8.270 nan 0.000 0.438 554 K N 1.090 121.616 120.400 0.210 0.000 2.358 554 K HA 0.341 4.659 4.320 -0.004 0.000 0.200 554 K C -0.471 176.234 176.600 0.174 0.000 1.030 554 K CA 0.216 56.615 56.287 0.186 0.000 1.097 554 K CB 1.493 34.127 32.500 0.223 0.000 0.862 554 K HN 0.500 nan 8.250 nan 0.000 0.534 555 A N 2.576 125.506 122.820 0.184 0.000 2.285 555 A HA 0.489 4.807 4.320 -0.004 0.000 0.310 555 A C -0.846 176.808 177.584 0.116 0.000 1.266 555 A CA -0.529 51.615 52.037 0.178 0.000 0.832 555 A CB 0.416 19.579 19.000 0.273 0.000 1.163 555 A HN 0.251 nan 8.150 nan 0.000 0.499 556 D N -0.150 120.292 120.400 0.069 0.000 2.768 556 D HA 0.390 5.027 4.640 -0.004 0.000 0.327 556 D C 0.213 176.518 176.300 0.008 0.000 1.302 556 D CA 0.303 54.328 54.000 0.042 0.000 0.897 556 D CB 0.316 41.129 40.800 0.022 0.000 1.420 556 D HN 0.239 nan 8.370 nan 0.000 0.494 557 T N -2.209 112.360 114.554 0.024 0.000 3.186 557 T HA 0.363 4.710 4.350 -0.004 0.000 0.257 557 T C 0.219 174.870 174.700 -0.081 0.000 1.029 557 T CA -0.362 61.749 62.100 0.019 0.000 0.916 557 T CB -0.666 68.265 68.868 0.105 0.000 1.041 557 T HN 0.284 nan 8.240 nan 0.000 0.562 558 V N 2.550 122.321 119.914 -0.239 0.000 2.530 558 V HA 0.361 4.479 4.120 -0.004 0.000 0.282 558 V C 0.049 176.087 176.094 -0.093 0.000 1.048 558 V CA -1.093 61.038 62.300 -0.280 0.000 0.997 558 V CB 0.224 31.762 31.823 -0.477 0.000 0.987 558 V HN 0.574 nan 8.190 nan 0.000 0.477 559 F N 6.485 126.340 119.950 -0.158 0.000 2.472 559 F HA 0.494 5.018 4.527 -0.004 0.000 0.364 559 F C 0.584 176.327 175.800 -0.095 0.000 1.090 559 F CA -0.020 57.911 58.000 -0.115 0.000 1.188 559 F CB 0.185 39.127 39.000 -0.098 0.000 1.105 559 F HN 0.435 nan 8.300 nan 0.000 0.536 560 R N 6.475 126.559 120.500 -0.692 0.000 2.686 560 R HA 0.543 4.881 4.340 -0.004 0.000 0.283 560 R C -1.539 174.363 176.300 -0.663 0.000 0.978 560 R CA -1.038 54.776 56.100 -0.477 0.000 0.897 560 R CB 2.055 32.211 30.300 -0.239 0.000 1.192 560 R HN 0.652 nan 8.270 nan 0.000 0.457 561 L N 4.276 125.293 121.223 -0.342 0.000 2.301 561 L HA 0.413 4.751 4.340 -0.004 0.000 0.278 561 L C -0.568 176.286 176.870 -0.027 0.000 1.022 561 L CA -0.631 54.055 54.840 -0.257 0.000 0.854 561 L CB 0.448 42.503 42.059 -0.007 0.000 1.226 561 L HN 0.773 nan 8.230 nan 0.000 0.429 562 N N 0.447 119.041 118.700 -0.176 0.000 3.506 562 N HA 0.150 4.888 4.740 -0.004 0.000 0.331 562 N C 0.165 175.299 175.510 -0.627 0.000 1.631 562 N CA -0.865 51.986 53.050 -0.332 0.000 0.786 562 N CB 0.195 38.616 38.487 -0.110 0.000 2.023 562 N HN 0.282 nan 8.380 nan 0.000 0.621 563 W N 0.676 121.377 121.300 -0.999 0.000 2.358 563 W HA 0.182 4.840 4.660 -0.004 0.000 0.303 563 W C 2.109 178.563 176.519 -0.109 0.000 1.208 563 W CA 2.877 59.888 57.345 -0.556 0.000 1.274 563 W CB -1.024 28.273 29.460 -0.271 0.000 1.138 563 W HN 0.712 nan 8.180 nan 0.000 0.515 564 A N -0.434 122.356 122.820 -0.050 0.000 1.940 564 A HA -0.228 4.090 4.320 -0.004 0.000 0.219 564 A C 1.943 179.413 177.584 -0.191 0.000 1.176 564 A CA 2.621 54.570 52.037 -0.148 0.000 0.631 564 A CB -1.304 17.685 19.000 -0.018 0.000 0.814 564 A HN 0.312 nan 8.150 nan 0.000 0.446 565 T N -1.097 113.347 114.554 -0.184 0.000 2.684 565 T HA -0.234 4.113 4.350 -0.004 0.000 0.267 565 T C 1.821 176.519 174.700 -0.004 0.000 1.036 565 T CA 1.763 63.725 62.100 -0.231 0.000 1.148 565 T CB -0.564 67.970 68.868 -0.557 0.000 0.863 565 T HN 0.673 nan 8.240 nan 0.000 0.436 566 Y N 2.255 122.616 120.300 0.103 0.000 2.128 566 Y HA -0.093 4.454 4.550 -0.004 0.000 0.284 566 Y C 1.972 177.860 175.900 -0.021 0.000 1.154 566 Y CA 1.001 59.205 58.100 0.172 0.000 1.149 566 Y CB -0.829 37.736 38.460 0.175 0.000 0.976 566 Y HN 0.136 nan 8.280 nan 0.000 0.505 567 L N 0.162 120.957 121.223 -0.712 0.000 2.046 567 L HA -0.192 4.145 4.340 -0.004 0.000 0.208 567 L C 2.857 179.483 176.870 -0.407 0.000 1.077 567 L CA 1.314 55.672 54.840 -0.803 0.000 0.747 567 L CB -1.034 40.587 42.059 -0.730 0.000 0.896 567 L HN 0.389 nan 8.230 nan 0.000 0.432 568 A N -1.099 121.559 122.820 -0.270 0.000 1.872 568 A HA -0.194 4.124 4.320 -0.004 0.000 0.214 568 A C 2.534 180.051 177.584 -0.111 0.000 1.187 568 A CA 1.891 53.825 52.037 -0.171 0.000 0.614 568 A CB -0.669 18.224 19.000 -0.179 0.000 0.826 568 A HN 0.344 nan 8.150 nan 0.000 0.442 569 S N -1.252 114.402 115.700 -0.077 0.000 2.355 569 S HA -0.109 4.358 4.470 -0.004 0.000 0.222 569 S C 1.994 176.620 174.600 0.044 0.000 1.031 569 S CA 2.222 60.428 58.200 0.010 0.000 0.993 569 S CB -0.408 62.853 63.200 0.102 0.000 0.859 569 S HN 0.576 nan 8.310 nan 0.000 0.453 570 T N 1.178 115.749 114.554 0.029 0.000 2.983 570 T HA 0.187 4.535 4.350 -0.004 0.000 0.250 570 T C 1.338 176.031 174.700 -0.012 0.000 1.037 570 T CA 0.548 62.689 62.100 0.069 0.000 1.142 570 T CB -0.085 68.931 68.868 0.247 0.000 0.876 570 T HN 0.304 nan 8.240 nan 0.000 0.455 571 E N 1.247 121.351 120.200 -0.159 0.000 2.474 571 E HA 0.166 4.513 4.350 -0.004 0.000 0.195 571 E C -0.081 176.503 176.600 -0.026 0.000 1.039 571 E CA -0.084 56.248 56.400 -0.113 0.000 0.881 571 E CB -0.303 29.252 29.700 -0.242 0.000 0.970 571 E HN 0.535 nan 8.360 nan 0.000 0.486 572 N N 0.758 119.456 118.700 -0.003 0.000 2.727 572 N HA -0.196 4.542 4.740 -0.004 0.000 0.249 572 N C -0.792 174.798 175.510 0.133 0.000 1.048 572 N CA 0.319 53.432 53.050 0.104 0.000 0.714 572 N CB -1.354 37.239 38.487 0.176 0.000 0.959 572 N HN 0.227 nan 8.380 nan 0.000 0.544 573 I N 0.782 121.360 120.570 0.013 0.000 2.359 573 I HA 0.323 4.491 4.170 -0.004 0.000 0.294 573 I C 0.687 176.778 176.117 -0.043 0.000 0.987 573 I CA -0.881 60.428 61.300 0.016 0.000 1.225 573 I CB 1.190 39.204 38.000 0.024 0.000 1.366 573 I HN 0.045 nan 8.210 nan 0.000 0.466 574 I N 6.517 127.069 120.570 -0.030 0.000 2.452 574 I HA 0.102 4.269 4.170 -0.004 0.000 0.287 574 I C -0.304 175.792 176.117 -0.035 0.000 1.079 574 I CA -0.253 60.984 61.300 -0.105 0.000 1.387 574 I CB 0.695 38.631 38.000 -0.106 0.000 1.404 574 I HN 0.217 nan 8.210 nan 0.000 0.522 575 V N 6.852 126.729 119.914 -0.061 0.000 2.328 575 V HA 0.597 4.714 4.120 -0.004 0.000 0.278 575 V C 0.407 176.519 176.094 0.030 0.000 1.021 575 V CA -0.469 61.846 62.300 0.025 0.000 0.838 575 V CB 1.076 32.908 31.823 0.016 0.000 0.999 575 V HN 0.836 nan 8.190 nan 0.000 0.447 576 A N 4.059 126.934 122.820 0.091 0.000 2.340 576 A HA 0.936 5.254 4.320 -0.004 0.000 0.331 576 A C -0.108 177.633 177.584 0.261 0.000 1.140 576 A CA -0.466 51.621 52.037 0.085 0.000 0.801 576 A CB 1.581 20.492 19.000 -0.148 0.000 1.234 576 A HN 0.697 nan 8.150 nan 0.000 0.469 577 S N -0.180 115.717 115.700 0.329 0.000 2.569 577 S HA 0.781 5.248 4.470 -0.004 0.000 0.280 577 S C -1.463 173.492 174.600 0.592 0.000 1.111 577 S CA -0.321 58.123 58.200 0.406 0.000 0.887 577 S CB 1.401 64.774 63.200 0.288 0.000 1.095 577 S HN 0.809 nan 8.310 nan 0.000 0.476 578 F N 1.621 121.804 119.950 0.389 0.000 2.574 578 F HA 0.467 4.991 4.527 -0.004 0.000 0.313 578 F C -1.709 174.292 175.800 0.336 0.000 1.130 578 F CA -0.665 57.587 58.000 0.421 0.000 0.936 578 F CB 1.524 40.746 39.000 0.370 0.000 1.219 578 F HN 0.396 nan 8.300 nan 0.000 0.445 579 D N 4.628 124.796 120.400 -0.386 0.000 2.473 579 D HA 0.392 5.030 4.640 -0.004 0.000 0.226 579 D C 0.312 176.347 176.300 -0.442 0.000 1.089 579 D CA 0.109 53.984 54.000 -0.208 0.000 0.883 579 D CB 1.497 42.337 40.800 0.067 0.000 1.029 579 D HN 0.766 nan 8.370 nan 0.000 0.517 580 G N 1.202 109.843 108.800 -0.266 0.000 2.736 580 G HA2 0.326 4.283 3.960 -0.004 0.000 0.229 580 G HA3 0.326 4.283 3.960 -0.004 0.000 0.229 580 G C 0.105 175.028 174.900 0.037 0.000 1.380 580 G CA -0.759 44.218 45.100 -0.204 0.000 1.040 580 G HN 0.278 nan 8.290 nan 0.000 0.568 581 R N -0.767 119.723 120.500 -0.018 0.000 2.640 581 R HA 0.345 4.682 4.340 -0.004 0.000 0.270 581 R C 1.333 177.720 176.300 0.144 0.000 1.024 581 R CA 1.505 57.682 56.100 0.129 0.000 1.085 581 R CB 0.354 30.698 30.300 0.072 0.000 0.963 581 R HN 1.097 nan 8.270 nan 0.000 0.426 582 G N 1.082 109.965 108.800 0.137 0.000 2.241 582 G HA2 -0.345 3.613 3.960 -0.004 0.000 0.244 582 G HA3 -0.345 3.613 3.960 -0.004 0.000 0.244 582 G C 0.179 175.105 174.900 0.044 0.000 0.998 582 G CA 0.286 45.445 45.100 0.097 0.000 0.621 582 G HN 0.748 nan 8.290 nan 0.000 0.519 583 S N 0.370 116.110 115.700 0.067 0.000 2.593 583 S HA 0.655 5.123 4.470 -0.004 0.000 0.269 583 S C 0.863 175.450 174.600 -0.022 0.000 1.334 583 S CA 0.489 58.720 58.200 0.052 0.000 1.015 583 S CB 1.746 65.011 63.200 0.107 0.000 0.912 583 S HN 1.670 nan 8.310 nan 0.000 0.541 584 G N -0.561 108.180 108.800 -0.099 0.000 2.511 584 G HA2 0.489 4.446 3.960 -0.004 0.000 0.316 584 G HA3 0.489 4.446 3.960 -0.004 0.000 0.316 584 G C -0.911 173.823 174.900 -0.276 0.000 1.210 584 G CA -0.948 43.904 45.100 -0.414 0.000 0.969 584 G HN 1.012 nan 8.290 nan 0.000 0.492 585 Y N -2.506 117.805 120.300 0.018 0.000 4.668 585 Y HA -0.213 4.335 4.550 -0.004 0.000 0.234 585 Y C 1.370 177.286 175.900 0.026 0.000 1.056 585 Y CA 0.997 59.112 58.100 0.025 0.000 2.025 585 Y CB -2.189 36.300 38.460 0.050 0.000 1.613 585 Y HN 0.559 nan 8.280 nan 0.000 0.653 586 Q N -0.016 119.811 119.800 0.044 0.000 2.086 586 Q HA 0.503 4.840 4.340 -0.004 0.000 0.220 586 Q C 0.981 176.882 176.000 -0.165 0.000 0.792 586 Q CA 0.207 56.044 55.803 0.055 0.000 1.062 586 Q CB 1.627 30.388 28.738 0.038 0.000 1.198 586 Q HN 0.594 nan 8.270 nan 0.000 0.466 587 G N 0.841 109.400 108.800 -0.401 0.000 2.699 587 G HA2 -0.188 3.769 3.960 -0.004 0.000 0.686 587 G HA3 -0.188 3.769 3.960 -0.004 0.000 0.686 587 G C -0.487 174.044 174.900 -0.616 0.000 1.301 587 G CA -0.513 44.050 45.100 -0.895 0.000 0.816 587 G HN 0.128 nan 8.290 nan 0.000 0.595 588 D N -0.178 119.823 120.400 -0.665 0.000 2.269 588 D HA -0.021 4.617 4.640 -0.004 0.000 0.208 588 D C 2.216 178.238 176.300 -0.463 0.000 0.963 588 D CA 1.187 54.762 54.000 -0.709 0.000 0.864 588 D CB 0.047 40.385 40.800 -0.769 0.000 0.936 588 D HN 0.587 nan 8.370 nan 0.000 0.505 589 K N 0.561 120.749 120.400 -0.352 0.000 2.063 589 K HA -0.114 4.204 4.320 -0.004 0.000 0.208 589 K C 1.983 178.511 176.600 -0.120 0.000 1.048 589 K CA 0.974 57.145 56.287 -0.193 0.000 0.928 589 K CB -0.036 32.367 32.500 -0.162 0.000 0.713 589 K HN 0.092 nan 8.250 nan 0.000 0.442 590 I N 0.259 120.748 120.570 -0.135 0.000 2.277 590 I HA -0.211 3.956 4.170 -0.004 0.000 0.243 590 I C 2.628 178.734 176.117 -0.019 0.000 1.094 590 I CA 0.879 62.170 61.300 -0.015 0.000 1.393 590 I CB -0.115 37.896 38.000 0.018 0.000 1.078 590 I HN 0.291 nan 8.210 nan 0.000 0.417 591 M N 0.085 119.596 119.600 -0.149 0.000 2.132 591 M HA -0.223 4.255 4.480 -0.004 0.000 0.263 591 M C 1.829 178.157 176.300 0.047 0.000 1.065 591 M CA 1.988 57.220 55.300 -0.113 0.000 1.122 591 M CB -0.275 32.146 32.600 -0.299 0.000 1.365 591 M HN 0.269 nan 8.290 nan 0.000 0.411 592 H N -0.843 118.125 119.070 -0.169 0.000 2.533 592 H HA 0.198 4.751 4.556 -0.004 0.000 0.271 592 H C 1.750 177.095 175.328 0.028 0.000 1.000 592 H CA 0.061 56.022 56.048 -0.145 0.000 1.149 592 H CB 0.171 29.753 29.762 -0.300 0.000 1.375 592 H HN 0.499 nan 8.280 nan 0.000 0.582 593 A N 1.447 124.369 122.820 0.169 0.000 2.019 593 A HA -0.113 4.205 4.320 -0.004 0.000 0.219 593 A C 2.067 179.851 177.584 0.333 0.000 1.164 593 A CA 0.974 53.127 52.037 0.193 0.000 0.644 593 A CB -0.593 18.473 19.000 0.111 0.000 0.805 593 A HN 0.582 nan 8.150 nan 0.000 0.449 594 I N -3.147 117.597 120.570 0.289 0.000 3.875 594 I HA 0.131 4.299 4.170 -0.004 0.000 0.329 594 I C 0.451 176.661 176.117 0.155 0.000 1.295 594 I CA -0.415 61.016 61.300 0.219 0.000 1.129 594 I CB -0.610 37.483 38.000 0.154 0.000 1.008 594 I HN 0.202 nan 8.210 nan 0.000 0.413 595 N N 3.185 122.024 118.700 0.232 0.000 2.301 595 N HA -0.116 4.621 4.740 -0.004 0.000 0.267 595 N C 0.191 175.736 175.510 0.058 0.000 1.304 595 N CA 0.423 53.600 53.050 0.212 0.000 0.851 595 N CB 0.299 38.873 38.487 0.145 0.000 1.070 595 N HN 0.418 nan 8.380 nan 0.000 0.483 596 R N 0.744 121.256 120.500 0.019 0.000 4.000 596 R HA -0.161 4.177 4.340 -0.004 0.000 0.362 596 R C -0.364 175.819 176.300 -0.194 0.000 1.183 596 R CA 0.849 56.913 56.100 -0.060 0.000 1.011 596 R CB -0.761 29.520 30.300 -0.031 0.000 1.501 596 R HN 0.644 nan 8.270 nan 0.000 0.553 597 R N 0.581 120.951 120.500 -0.216 0.000 2.638 597 R HA 0.263 4.600 4.340 -0.004 0.000 0.269 597 R C -0.398 175.849 176.300 -0.089 0.000 1.393 597 R CA -0.270 55.559 56.100 -0.451 0.000 1.531 597 R CB 0.406 30.417 30.300 -0.482 0.000 1.327 597 R HN 0.093 nan 8.270 nan 0.000 0.709 598 L N -0.216 121.025 121.223 0.032 0.000 2.461 598 L HA 0.241 4.579 4.340 -0.004 0.000 0.272 598 L C 1.380 178.481 176.870 0.385 0.000 1.197 598 L CA 0.699 55.601 54.840 0.104 0.000 0.836 598 L CB 0.496 42.389 42.059 -0.277 0.000 1.105 598 L HN 0.693 nan 8.230 nan 0.000 0.477 599 G N 0.782 109.849 108.800 0.445 0.000 2.137 599 G HA2 -0.279 3.679 3.960 -0.004 0.000 0.237 599 G HA3 -0.279 3.679 3.960 -0.004 0.000 0.237 599 G C 0.410 175.405 174.900 0.158 0.000 1.002 599 G CA 0.533 45.851 45.100 0.363 0.000 0.702 599 G HN 0.860 nan 8.290 nan 0.000 0.515 600 T N -3.675 110.929 114.554 0.084 0.000 3.257 600 T HA 0.485 4.832 4.350 -0.004 0.000 0.176 600 T C 1.621 176.302 174.700 -0.031 0.000 0.892 600 T CA 0.907 62.949 62.100 -0.097 0.000 1.147 600 T CB 0.008 68.628 68.868 -0.413 0.000 1.840 600 T HN 0.130 nan 8.240 nan 0.000 0.375 601 F N 3.344 123.336 119.950 0.069 0.000 2.186 601 F HA 0.121 4.645 4.527 -0.004 0.000 0.299 601 F C 2.821 178.653 175.800 0.053 0.000 1.090 601 F CA 1.129 59.156 58.000 0.045 0.000 1.307 601 F CB -0.604 38.417 39.000 0.036 0.000 1.019 601 F HN 0.524 nan 8.300 nan 0.000 0.489 602 E N 0.722 121.082 120.200 0.265 0.000 2.150 602 E HA -0.124 4.224 4.350 -0.004 0.000 0.193 602 E C 2.089 178.798 176.600 0.182 0.000 0.985 602 E CA 1.449 57.977 56.400 0.213 0.000 0.814 602 E CB -1.000 28.828 29.700 0.212 0.000 0.752 602 E HN 0.289 nan 8.360 nan 0.000 0.466 603 V N 1.812 121.811 119.914 0.142 0.000 2.283 603 V HA -0.208 3.910 4.120 -0.004 0.000 0.243 603 V C 2.368 178.500 176.094 0.064 0.000 1.039 603 V CA 2.116 64.455 62.300 0.066 0.000 1.016 603 V CB -0.616 31.203 31.823 -0.006 0.000 0.650 603 V HN 0.220 nan 8.190 nan 0.000 0.449 604 E N 0.226 120.477 120.200 0.085 0.000 2.118 604 E HA -0.257 4.091 4.350 -0.004 0.000 0.195 604 E C 1.879 178.504 176.600 0.042 0.000 0.992 604 E CA 1.579 58.024 56.400 0.075 0.000 0.804 604 E CB -0.218 29.558 29.700 0.128 0.000 0.741 604 E HN 0.578 nan 8.360 nan 0.000 0.458 605 D N 0.273 120.713 120.400 0.066 0.000 2.183 605 D HA -0.114 4.523 4.640 -0.004 0.000 0.203 605 D C 2.002 178.259 176.300 -0.070 0.000 0.969 605 D CA 0.668 54.673 54.000 0.008 0.000 0.842 605 D CB -0.087 40.776 40.800 0.105 0.000 0.957 605 D HN 0.090 nan 8.370 nan 0.000 0.484 606 Q N 0.278 120.115 119.800 0.062 0.000 2.084 606 Q HA -0.065 4.272 4.340 -0.004 0.000 0.202 606 Q C 2.562 178.583 176.000 0.036 0.000 0.978 606 Q CA 0.646 56.489 55.803 0.067 0.000 0.844 606 Q CB -0.260 28.556 28.738 0.130 0.000 0.898 606 Q HN 0.426 nan 8.270 nan 0.000 0.426 607 I N 0.696 121.311 120.570 0.075 0.000 2.179 607 I HA -0.265 3.902 4.170 -0.004 0.000 0.242 607 I C 2.423 178.488 176.117 -0.086 0.000 1.088 607 I CA 1.271 62.651 61.300 0.133 0.000 1.357 607 I CB -0.292 37.779 38.000 0.118 0.000 1.051 607 I HN 0.149 nan 8.210 nan 0.000 0.409 608 E N 1.578 121.676 120.200 -0.169 0.000 2.085 608 E HA -0.221 4.126 4.350 -0.004 0.000 0.194 608 E C 2.106 178.404 176.600 -0.503 0.000 0.994 608 E CA 1.772 58.006 56.400 -0.277 0.000 0.801 608 E CB -0.247 29.311 29.700 -0.236 0.000 0.743 608 E HN 0.417 nan 8.360 nan 0.000 0.453 609 A N 0.801 123.164 122.820 -0.761 0.000 1.908 609 A HA -0.126 4.192 4.320 -0.004 0.000 0.218 609 A C 2.470 179.326 177.584 -1.213 0.000 1.181 609 A CA 2.436 53.703 52.037 -1.284 0.000 0.627 609 A CB -1.119 16.950 19.000 -1.552 0.000 0.818 609 A HN 0.402 nan 8.150 nan 0.000 0.445 610 A N -0.463 122.028 122.820 -0.548 0.000 1.933 610 A HA -0.146 4.172 4.320 -0.004 0.000 0.218 610 A C 2.237 179.631 177.584 -0.317 0.000 1.175 610 A CA 1.422 53.292 52.037 -0.278 0.000 0.628 610 A CB -0.455 18.433 19.000 -0.186 0.000 0.814 610 A HN 0.558 nan 8.150 nan 0.000 0.444 611 R N -0.643 119.654 120.500 -0.338 0.000 2.081 611 R HA -0.131 4.206 4.340 -0.004 0.000 0.235 611 R C 2.377 178.513 176.300 -0.272 0.000 1.131 611 R CA 1.466 57.406 56.100 -0.267 0.000 0.960 611 R CB -0.319 29.847 30.300 -0.222 0.000 0.856 611 R HN 0.594 nan 8.270 nan 0.000 0.436 612 Q N -0.170 119.393 119.800 -0.394 0.000 2.084 612 Q HA -0.126 4.212 4.340 -0.004 0.000 0.202 612 Q C 2.030 177.873 176.000 -0.262 0.000 0.978 612 Q CA 1.294 56.877 55.803 -0.367 0.000 0.844 612 Q CB -0.160 28.278 28.738 -0.499 0.000 0.898 612 Q HN 0.295 nan 8.270 nan 0.000 0.426 613 F N 1.148 120.942 119.950 -0.260 0.000 2.216 613 F HA -0.099 4.426 4.527 -0.004 0.000 0.300 613 F C 2.550 178.183 175.800 -0.277 0.000 1.085 613 F CA 0.671 58.516 58.000 -0.258 0.000 1.326 613 F CB -0.960 37.943 39.000 -0.161 0.000 1.027 613 F HN -0.053 nan 8.300 nan 0.000 0.497 614 S N 0.126 115.787 115.700 -0.065 0.000 2.356 614 S HA -0.193 4.274 4.470 -0.004 0.000 0.223 614 S C 1.903 176.407 174.600 -0.160 0.000 1.032 614 S CA 1.161 59.290 58.200 -0.119 0.000 1.005 614 S CB -0.372 62.755 63.200 -0.123 0.000 0.867 614 S HN 0.352 nan 8.310 nan 0.000 0.449 615 K N 0.831 121.138 120.400 -0.155 0.000 2.286 615 K HA 0.006 4.323 4.320 -0.004 0.000 0.203 615 K C 1.880 178.373 176.600 -0.178 0.000 1.045 615 K CA 1.047 57.248 56.287 -0.143 0.000 0.935 615 K CB -0.282 32.143 32.500 -0.125 0.000 0.737 615 K HN 0.394 nan 8.250 nan 0.000 0.460 616 M N -0.953 118.482 119.600 -0.274 0.000 2.476 616 M HA -0.035 4.442 4.480 -0.004 0.000 0.262 616 M C 1.324 177.317 176.300 -0.511 0.000 1.079 616 M CA 1.240 56.287 55.300 -0.423 0.000 1.104 616 M CB 0.186 32.392 32.600 -0.657 0.000 1.409 616 M HN 0.492 nan 8.290 nan 0.000 0.467 617 G N 0.618 109.177 108.800 -0.401 0.000 2.195 617 G HA2 -0.283 3.674 3.960 -0.004 0.000 0.246 617 G HA3 -0.283 3.674 3.960 -0.004 0.000 0.246 617 G C 0.400 175.255 174.900 -0.074 0.000 0.984 617 G CA 0.310 45.296 45.100 -0.190 0.000 0.633 617 G HN 0.589 nan 8.290 nan 0.000 0.525 618 F N 0.052 120.064 119.950 0.104 0.000 2.668 618 F HA 0.765 5.289 4.527 -0.004 0.000 0.301 618 F C 0.094 176.020 175.800 0.210 0.000 1.106 618 F CA -1.601 56.500 58.000 0.169 0.000 1.289 618 F CB 0.050 39.212 39.000 0.271 0.000 1.006 618 F HN 0.077 nan 8.300 nan 0.000 0.535 619 V N 1.400 121.401 119.914 0.145 0.000 2.448 619 V HA 0.228 4.345 4.120 -0.004 0.000 0.295 619 V C -0.699 175.414 176.094 0.031 0.000 1.025 619 V CA -0.802 61.579 62.300 0.135 0.000 0.859 619 V CB 1.653 33.511 31.823 0.058 0.000 0.988 619 V HN 0.066 nan 8.190 nan 0.000 0.431 620 D N 3.481 123.886 120.400 0.009 0.000 2.348 620 D HA 0.029 4.666 4.640 -0.004 0.000 0.259 620 D C 1.287 177.551 176.300 -0.060 0.000 1.296 620 D CA -0.047 53.924 54.000 -0.049 0.000 0.931 620 D CB 0.561 41.305 40.800 -0.093 0.000 1.067 620 D HN 0.722 nan 8.370 nan 0.000 0.503 621 N N 3.267 121.933 118.700 -0.057 0.000 2.348 621 N HA -0.201 4.536 4.740 -0.004 0.000 0.185 621 N C 0.940 176.416 175.510 -0.056 0.000 1.019 621 N CA 1.074 54.083 53.050 -0.068 0.000 0.880 621 N CB -0.003 38.441 38.487 -0.073 0.000 0.965 621 N HN 0.290 nan 8.380 nan 0.000 0.437 622 K N -0.424 119.950 120.400 -0.042 0.000 2.459 622 K HA 0.142 4.459 4.320 -0.004 0.000 0.193 622 K C 0.147 176.755 176.600 0.014 0.000 1.030 622 K CA 0.247 56.525 56.287 -0.015 0.000 1.026 622 K CB 0.317 32.807 32.500 -0.015 0.000 0.809 622 K HN 0.239 nan 8.250 nan 0.000 0.504 623 R N 1.164 121.648 120.500 -0.026 0.000 2.653 623 R HA 0.339 4.676 4.340 -0.004 0.000 0.269 623 R C -0.989 175.295 176.300 -0.026 0.000 1.603 623 R CA -0.137 55.942 56.100 -0.035 0.000 1.671 623 R CB 0.574 30.689 30.300 -0.308 0.000 1.300 623 R HN -0.014 nan 8.270 nan 0.000 0.668 624 I N 1.089 121.757 120.570 0.165 0.000 2.362 624 I HA 0.534 4.702 4.170 -0.004 0.000 0.289 624 I C 0.125 176.551 176.117 0.514 0.000 0.994 624 I CA -0.711 60.734 61.300 0.242 0.000 1.158 624 I CB 1.870 39.863 38.000 -0.012 0.000 1.315 624 I HN 0.255 nan 8.210 nan 0.000 0.451 625 A N 7.110 130.330 122.820 0.667 0.000 2.346 625 A HA 0.925 5.243 4.320 -0.004 0.000 0.313 625 A C -0.996 176.934 177.584 0.577 0.000 1.140 625 A CA -0.670 51.721 52.037 0.590 0.000 0.826 625 A CB 1.908 21.136 19.000 0.380 0.000 1.332 625 A HN 0.740 nan 8.150 nan 0.000 0.457 626 I N 0.517 121.320 120.570 0.389 0.000 2.722 626 I HA 0.679 4.846 4.170 -0.004 0.000 0.295 626 I C -1.917 174.430 176.117 0.382 0.000 1.161 626 I CA -0.562 60.886 61.300 0.247 0.000 1.032 626 I CB 1.625 39.449 38.000 -0.293 0.000 1.244 626 I HN 0.928 nan 8.210 nan 0.000 0.421 627 W N 7.168 128.582 121.300 0.191 0.000 3.213 627 W HA 0.841 5.498 4.660 -0.004 0.000 0.318 627 W C -1.570 175.097 176.519 0.247 0.000 1.248 627 W CA -0.999 56.480 57.345 0.223 0.000 1.187 627 W CB 1.173 30.821 29.460 0.313 0.000 1.403 627 W HN 0.815 nan 8.180 nan 0.000 0.556 628 G N 1.119 109.852 108.800 -0.112 0.000 2.632 628 G HA2 0.476 4.433 3.960 -0.004 0.000 0.292 628 G HA3 0.476 4.433 3.960 -0.004 0.000 0.292 628 G C -2.793 172.071 174.900 -0.059 0.000 1.465 628 G CA -0.701 44.204 45.100 -0.325 0.000 0.824 628 G HN 0.593 nan 8.290 nan 0.000 0.509 629 W N 1.151 122.343 121.300 -0.181 0.000 2.736 629 W HA 0.585 5.243 4.660 -0.004 0.000 0.335 629 W C 0.713 177.305 176.519 0.121 0.000 1.059 629 W CA 0.390 57.725 57.345 -0.016 0.000 1.226 629 W CB 1.640 31.088 29.460 -0.021 0.000 1.416 629 W HN 1.095 nan 8.180 nan 0.000 0.505 630 S N 1.891 117.871 115.700 0.466 0.000 4.118 630 S HA -0.421 4.046 4.470 -0.004 0.000 0.624 630 S C 0.779 175.530 174.600 0.251 0.000 1.929 630 S CA 1.436 59.937 58.200 0.502 0.000 4.219 630 S CB -1.531 62.126 63.200 0.762 0.000 0.206 630 S HN 0.736 nan 8.310 nan 0.000 0.525 631 Y N 3.038 123.381 120.300 0.072 0.000 2.207 631 Y HA -0.030 4.518 4.550 -0.004 0.000 0.287 631 Y C 2.412 178.252 175.900 -0.101 0.000 1.156 631 Y CA 2.303 60.315 58.100 -0.147 0.000 1.182 631 Y CB -0.961 37.167 38.460 -0.553 0.000 0.979 631 Y HN 0.561 nan 8.280 nan 0.000 0.521 632 G N -1.143 107.718 108.800 0.102 0.000 2.443 632 G HA2 -0.200 3.757 3.960 -0.004 0.000 0.219 632 G HA3 -0.200 3.757 3.960 -0.004 0.000 0.219 632 G C 1.893 176.842 174.900 0.082 0.000 1.131 632 G CA 0.715 45.889 45.100 0.124 0.000 0.775 632 G HN 0.571 nan 8.290 nan 0.000 0.547 633 G N -0.188 108.669 108.800 0.095 0.000 2.394 633 G HA2 -0.196 3.762 3.960 -0.004 0.000 0.215 633 G HA3 -0.196 3.762 3.960 -0.004 0.000 0.215 633 G C 1.566 176.497 174.900 0.051 0.000 1.165 633 G CA 0.995 46.132 45.100 0.061 0.000 0.784 633 G HN 0.398 nan 8.290 nan 0.000 0.535 634 Y N 1.448 121.662 120.300 -0.142 0.000 2.097 634 Y HA -0.156 4.391 4.550 -0.004 0.000 0.282 634 Y C 2.798 178.614 175.900 -0.140 0.000 1.152 634 Y CA 1.770 59.730 58.100 -0.232 0.000 1.136 634 Y CB -0.534 37.633 38.460 -0.488 0.000 0.975 634 Y HN 0.025 nan 8.280 nan 0.000 0.498 635 V N -0.229 119.573 119.914 -0.186 0.000 2.343 635 V HA -0.340 3.777 4.120 -0.004 0.000 0.247 635 V C 2.325 178.313 176.094 -0.176 0.000 1.051 635 V CA 2.432 64.616 62.300 -0.192 0.000 1.036 635 V CB -1.230 30.631 31.823 0.062 0.000 0.654 635 V HN 0.511 nan 8.190 nan 0.000 0.451 636 T N 0.092 114.594 114.554 -0.088 0.000 2.665 636 T HA -0.222 4.126 4.350 -0.004 0.000 0.268 636 T C 2.105 176.750 174.700 -0.093 0.000 1.035 636 T CA 2.127 64.184 62.100 -0.071 0.000 1.151 636 T CB -0.314 68.589 68.868 0.058 0.000 0.862 636 T HN 0.553 nan 8.240 nan 0.000 0.438 637 S N 1.003 116.684 115.700 -0.033 0.000 2.383 637 S HA -0.005 4.463 4.470 -0.004 0.000 0.227 637 S C 2.138 176.660 174.600 -0.130 0.000 1.026 637 S CA 0.876 59.089 58.200 0.021 0.000 0.981 637 S CB -0.274 62.984 63.200 0.098 0.000 0.818 637 S HN 0.313 nan 8.310 nan 0.000 0.472 638 M N 1.039 120.467 119.600 -0.286 0.000 2.117 638 M HA -0.028 4.449 4.480 -0.004 0.000 0.262 638 M C 2.243 178.387 176.300 -0.259 0.000 1.065 638 M CA 1.121 56.233 55.300 -0.313 0.000 1.114 638 M CB -1.462 30.851 32.600 -0.478 0.000 1.361 638 M HN 0.179 nan 8.290 nan 0.000 0.408 639 V N 0.681 120.437 119.914 -0.263 0.000 2.295 639 V HA -0.241 3.877 4.120 -0.004 0.000 0.246 639 V C 2.511 178.420 176.094 -0.308 0.000 1.049 639 V CA 1.423 63.571 62.300 -0.254 0.000 1.024 639 V CB -0.674 30.937 31.823 -0.352 0.000 0.648 639 V HN 0.406 nan 8.190 nan 0.000 0.447 640 L N 0.397 121.360 121.223 -0.434 0.000 2.201 640 L HA -0.026 4.312 4.340 -0.004 0.000 0.212 640 L C 2.205 178.503 176.870 -0.953 0.000 1.105 640 L CA 1.399 55.873 54.840 -0.611 0.000 0.775 640 L CB -0.670 40.987 42.059 -0.669 0.000 0.913 640 L HN 0.477 nan 8.230 nan 0.000 0.440 641 G N -1.375 106.884 108.800 -0.902 0.000 3.189 641 G HA2 -0.042 3.915 3.960 -0.004 0.000 0.225 641 G HA3 -0.042 3.915 3.960 -0.004 0.000 0.225 641 G C 1.475 176.219 174.900 -0.260 0.000 1.159 641 G CA 0.563 45.279 45.100 -0.641 0.000 0.763 641 G HN 0.418 nan 8.290 nan 0.000 0.549 642 S N -0.698 114.870 115.700 -0.219 0.000 2.496 642 S HA 0.301 4.769 4.470 -0.004 0.000 0.224 642 S C 1.935 176.491 174.600 -0.074 0.000 0.996 642 S CA 1.014 59.148 58.200 -0.110 0.000 0.927 642 S CB -0.086 63.068 63.200 -0.077 0.000 0.774 642 S HN 1.351 nan 8.310 nan 0.000 0.524 643 G N 1.406 110.153 108.800 -0.088 0.000 2.143 643 G HA2 -0.340 3.617 3.960 -0.004 0.000 0.248 643 G HA3 -0.340 3.617 3.960 -0.004 0.000 0.248 643 G C 0.967 175.852 174.900 -0.024 0.000 0.991 643 G CA 0.937 46.007 45.100 -0.050 0.000 0.689 643 G HN 1.259 nan 8.290 nan 0.000 0.522 644 S N -0.619 115.077 115.700 -0.007 0.000 2.423 644 S HA 0.288 4.756 4.470 -0.004 0.000 0.231 644 S C 2.604 177.200 174.600 -0.006 0.000 1.014 644 S CA 1.796 60.001 58.200 0.008 0.000 0.965 644 S CB -0.261 62.970 63.200 0.051 0.000 0.785 644 S HN 2.438 nan 8.310 nan 0.000 0.495 645 G N -0.095 108.708 108.800 0.005 0.000 2.205 645 G HA2 -0.300 3.657 3.960 -0.004 0.000 0.261 645 G HA3 -0.300 3.657 3.960 -0.004 0.000 0.261 645 G C 0.817 175.693 174.900 -0.040 0.000 0.980 645 G CA 0.437 45.532 45.100 -0.009 0.000 0.632 645 G HN 0.711 nan 8.290 nan 0.000 0.533 646 V N -0.319 119.545 119.914 -0.083 0.000 2.488 646 V HA 0.247 4.364 4.120 -0.004 0.000 0.246 646 V C 1.215 177.067 176.094 -0.403 0.000 1.046 646 V CA 1.564 63.678 62.300 -0.309 0.000 1.053 646 V CB -0.357 31.162 31.823 -0.508 0.000 0.679 646 V HN 0.306 nan 8.190 nan 0.000 0.458 647 F N 0.055 120.020 119.950 0.024 0.000 2.420 647 F HA 0.386 4.911 4.527 -0.004 0.000 0.342 647 F C 1.129 176.973 175.800 0.074 0.000 1.113 647 F CA -0.515 57.526 58.000 0.069 0.000 1.059 647 F CB 1.319 40.362 39.000 0.070 0.000 1.128 647 F HN -0.230 nan 8.300 nan 0.000 0.475 648 K N 1.937 122.497 120.400 0.268 0.000 2.116 648 K HA 0.041 4.359 4.320 -0.004 0.000 0.203 648 K C -0.017 176.713 176.600 0.217 0.000 1.052 648 K CA 1.023 57.432 56.287 0.204 0.000 0.952 648 K CB 0.193 32.812 32.500 0.199 0.000 0.729 648 K HN 0.801 nan 8.250 nan 0.000 0.446 649 c N -2.893 115.874 118.600 0.278 0.000 3.321 649 c HA 0.878 5.446 4.570 -0.004 0.000 0.329 649 c C -0.291 174.016 174.090 0.361 0.000 1.394 649 c CA -0.551 55.957 56.329 0.299 0.000 1.291 649 c CB 1.157 43.770 42.510 0.172 0.000 1.606 649 c HN 0.348 nan 8.230 nan 0.000 0.463 650 G N 0.100 109.179 108.800 0.465 0.000 2.646 650 G HA2 0.709 4.667 3.960 -0.004 0.000 0.291 650 G HA3 0.709 4.667 3.960 -0.004 0.000 0.291 650 G C -2.035 173.091 174.900 0.376 0.000 1.445 650 G CA -0.704 44.642 45.100 0.410 0.000 0.814 650 G HN 1.028 nan 8.290 nan 0.000 0.495 651 I N 0.928 121.687 120.570 0.316 0.000 2.447 651 I HA 0.589 4.757 4.170 -0.004 0.000 0.287 651 I C 0.237 176.479 176.117 0.210 0.000 1.023 651 I CA -0.893 60.486 61.300 0.130 0.000 1.083 651 I CB 2.143 40.209 38.000 0.111 0.000 1.245 651 I HN 0.645 nan 8.210 nan 0.000 0.434 652 A N 6.649 129.492 122.820 0.038 0.000 2.271 652 A HA 0.782 5.099 4.320 -0.004 0.000 0.317 652 A C -0.627 176.882 177.584 -0.124 0.000 1.245 652 A CA -0.498 51.568 52.037 0.049 0.000 0.857 652 A CB 1.020 20.111 19.000 0.151 0.000 1.175 652 A HN 0.450 nan 8.150 nan 0.000 0.512 653 V N 2.147 121.943 119.914 -0.196 0.000 2.417 653 V HA 0.564 4.682 4.120 -0.004 0.000 0.291 653 V C 0.946 176.654 176.094 -0.644 0.000 1.024 653 V CA 0.286 62.245 62.300 -0.569 0.000 0.861 653 V CB 0.789 31.975 31.823 -1.061 0.000 0.985 653 V HN 2.061 nan 8.190 nan 0.000 0.436 654 A N 5.655 128.071 122.820 -0.673 0.000 2.511 654 A HA -0.106 4.212 4.320 -0.004 0.000 0.297 654 A C -1.711 175.724 177.584 -0.248 0.000 1.476 654 A CA 0.324 51.879 52.037 -0.803 0.000 0.757 654 A CB -1.595 17.062 19.000 -0.571 0.000 1.072 654 A HN 0.624 nan 8.150 nan 0.000 0.413 655 P HA 0.360 nan 4.420 nan 0.000 0.275 655 P C 0.325 177.604 177.300 -0.035 0.000 1.228 655 P CA -0.094 62.994 63.100 -0.020 0.000 0.786 655 P CB 1.049 32.759 31.700 0.017 0.000 0.927 656 V N 2.460 122.254 119.914 -0.199 0.000 2.740 656 V HA 0.033 4.150 4.120 -0.004 0.000 0.303 656 V C 1.732 177.659 176.094 -0.279 0.000 1.054 656 V CA 1.169 63.203 62.300 -0.444 0.000 1.106 656 V CB 0.551 31.692 31.823 -1.137 0.000 0.957 656 V HN 0.838 nan 8.190 nan 0.000 0.486 657 S N 3.461 119.009 115.700 -0.253 0.000 2.593 657 S HA 0.296 4.764 4.470 -0.004 0.000 0.235 657 S C 0.508 174.951 174.600 -0.262 0.000 1.059 657 S CA -0.386 57.735 58.200 -0.132 0.000 0.953 657 S CB 0.354 63.532 63.200 -0.037 0.000 0.897 657 S HN 0.713 nan 8.310 nan 0.000 0.507 658 R N -0.730 119.483 120.500 -0.479 0.000 2.523 658 R HA 0.317 4.655 4.340 -0.004 0.000 0.278 658 R C -1.029 174.947 176.300 -0.540 0.000 1.150 658 R CA -0.648 55.115 56.100 -0.561 0.000 0.987 658 R CB 0.397 30.210 30.300 -0.812 0.000 1.232 658 R HN 0.242 nan 8.270 nan 0.000 0.424 659 W N 2.116 123.319 121.300 -0.161 0.000 2.364 659 W HA -0.098 4.559 4.660 -0.004 0.000 0.281 659 W C 1.308 177.952 176.519 0.210 0.000 1.219 659 W CA 0.859 58.192 57.345 -0.019 0.000 1.220 659 W CB 0.305 29.647 29.460 -0.197 0.000 1.127 659 W HN 0.696 nan 8.180 nan 0.000 0.556 660 E N -0.994 119.389 120.200 0.304 0.000 2.333 660 E HA -0.201 4.147 4.350 -0.004 0.000 0.198 660 E C 1.362 178.113 176.600 0.251 0.000 1.007 660 E CA 0.836 57.358 56.400 0.204 0.000 0.845 660 E CB -0.238 29.482 29.700 0.033 0.000 0.766 660 E HN 0.375 nan 8.360 nan 0.000 0.507 661 Y N -1.451 118.937 120.300 0.146 0.000 2.517 661 Y HA 0.040 4.587 4.550 -0.004 0.000 0.281 661 Y C 0.742 176.736 175.900 0.157 0.000 1.125 661 Y CA -0.232 57.926 58.100 0.096 0.000 1.283 661 Y CB -0.465 37.997 38.460 0.003 0.000 1.042 661 Y HN 0.018 nan 8.280 nan 0.000 0.547 662 Y N 1.935 122.388 120.300 0.255 0.000 2.392 662 Y HA 0.287 4.834 4.550 -0.004 0.000 0.323 662 Y C 0.336 176.458 175.900 0.370 0.000 1.291 662 Y CA -2.067 56.193 58.100 0.267 0.000 1.345 662 Y CB 0.384 39.022 38.460 0.297 0.000 1.320 662 Y HN 0.185 nan 8.280 nan 0.000 0.518 663 D N -0.426 119.742 120.400 -0.387 0.000 2.368 663 D HA 0.093 4.731 4.640 -0.004 0.000 0.240 663 D C 0.982 177.281 176.300 -0.001 0.000 1.169 663 D CA 0.353 54.194 54.000 -0.266 0.000 0.906 663 D CB 0.905 41.312 40.800 -0.655 0.000 1.187 663 D HN 0.492 nan 8.370 nan 0.000 0.435 664 S N 1.102 116.806 115.700 0.006 0.000 2.353 664 S HA -0.237 4.231 4.470 -0.004 0.000 0.222 664 S C 1.927 176.558 174.600 0.052 0.000 1.035 664 S CA 1.310 59.558 58.200 0.080 0.000 1.025 664 S CB -1.091 62.163 63.200 0.089 0.000 0.902 664 S HN 0.439 nan 8.310 nan 0.000 0.440 665 V N 0.910 120.794 119.914 -0.050 0.000 2.255 665 V HA -0.187 3.931 4.120 -0.004 0.000 0.247 665 V C 2.323 178.335 176.094 -0.137 0.000 1.051 665 V CA 2.303 64.481 62.300 -0.202 0.000 1.018 665 V CB -1.178 30.371 31.823 -0.458 0.000 0.641 665 V HN 0.596 nan 8.190 nan 0.000 0.445 666 Y N 1.377 121.622 120.300 -0.092 0.000 2.109 666 Y HA -0.236 4.312 4.550 -0.004 0.000 0.285 666 Y C 2.772 178.672 175.900 -0.001 0.000 1.131 666 Y CA 2.398 60.521 58.100 0.038 0.000 1.121 666 Y CB -0.644 38.040 38.460 0.374 0.000 0.987 666 Y HN 0.219 nan 8.280 nan 0.000 0.495 667 T N 0.424 115.193 114.554 0.359 0.000 2.652 667 T HA -0.217 4.130 4.350 -0.004 0.000 0.267 667 T C 1.549 176.223 174.700 -0.045 0.000 1.039 667 T CA 1.996 64.232 62.100 0.227 0.000 1.153 667 T CB -0.363 68.790 68.868 0.475 0.000 0.863 667 T HN 0.451 nan 8.240 nan 0.000 0.428 668 E N 0.533 120.740 120.200 0.012 0.000 2.268 668 E HA -0.083 4.265 4.350 -0.004 0.000 0.195 668 E C 2.343 178.825 176.600 -0.196 0.000 0.995 668 E CA 0.378 56.778 56.400 -0.001 0.000 0.836 668 E CB -0.125 29.621 29.700 0.076 0.000 0.763 668 E HN 0.343 nan 8.360 nan 0.000 0.491 669 R N 0.208 120.426 120.500 -0.471 0.000 2.105 669 R HA -0.188 4.150 4.340 -0.004 0.000 0.239 669 R C 1.170 176.931 176.300 -0.899 0.000 1.135 669 R CA 1.575 57.199 56.100 -0.794 0.000 0.967 669 R CB 0.022 29.506 30.300 -1.360 0.000 0.861 669 R HN 0.258 nan 8.270 nan 0.000 0.442 670 Y N -2.278 117.704 120.300 -0.531 0.000 2.498 670 Y HA 0.222 4.770 4.550 -0.004 0.000 0.259 670 Y C 1.750 177.463 175.900 -0.313 0.000 1.086 670 Y CA -0.032 57.749 58.100 -0.533 0.000 1.287 670 Y CB 0.439 38.445 38.460 -0.757 0.000 1.146 670 Y HN -0.054 nan 8.280 nan 0.000 0.523 671 M N -0.595 118.894 119.600 -0.184 0.000 2.331 671 M HA 0.365 4.843 4.480 -0.004 0.000 0.266 671 M C 1.172 177.496 176.300 0.040 0.000 1.055 671 M CA 0.839 56.033 55.300 -0.177 0.000 1.048 671 M CB -0.164 32.132 32.600 -0.507 0.000 1.460 671 M HN 0.353 nan 8.290 nan 0.000 0.519 672 G N 1.960 110.794 108.800 0.057 0.000 2.569 672 G HA2 -0.257 3.701 3.960 -0.004 0.000 0.259 672 G HA3 -0.257 3.701 3.960 -0.004 0.000 0.259 672 G C -0.436 174.601 174.900 0.230 0.000 1.263 672 G CA -0.607 44.565 45.100 0.120 0.000 0.928 672 G HN 0.353 nan 8.290 nan 0.000 0.572 673 L N 2.057 123.379 121.223 0.164 0.000 2.325 673 L HA 0.465 4.802 4.340 -0.004 0.000 0.279 673 L C -1.615 175.220 176.870 -0.058 0.000 1.054 673 L CA -1.849 53.029 54.840 0.064 0.000 0.804 673 L CB 2.093 44.161 42.059 0.014 0.000 1.200 673 L HN 0.430 nan 8.230 nan 0.000 0.436 674 P HA 0.094 nan 4.420 nan 0.000 0.225 674 P C -0.659 176.488 177.300 -0.256 0.000 1.813 674 P CA -0.127 62.555 63.100 -0.697 0.000 1.013 674 P CB -0.301 30.680 31.700 -1.197 0.000 1.961 675 T N -2.276 112.213 114.554 -0.107 0.000 2.916 675 T HA 0.489 4.837 4.350 -0.004 0.000 0.292 675 T C -2.338 172.356 174.700 -0.009 0.000 1.055 675 T CA -2.490 59.580 62.100 -0.050 0.000 1.009 675 T CB 1.802 70.651 68.868 -0.033 0.000 1.118 675 T HN -0.290 nan 8.240 nan 0.000 0.497 676 P HA -0.073 nan 4.420 nan 0.000 0.218 676 P C 0.969 178.280 177.300 0.019 0.000 1.148 676 P CA 1.096 64.205 63.100 0.014 0.000 0.822 676 P CB 0.065 31.770 31.700 0.008 0.000 0.784 677 E N -1.079 119.128 120.200 0.013 0.000 2.150 677 E HA -0.126 4.222 4.350 -0.004 0.000 0.193 677 E C 1.557 178.172 176.600 0.024 0.000 0.985 677 E CA 1.035 57.444 56.400 0.015 0.000 0.814 677 E CB -0.546 29.158 29.700 0.007 0.000 0.752 677 E HN 0.315 nan 8.360 nan 0.000 0.466 678 D N -0.664 119.755 120.400 0.032 0.000 2.685 678 D HA 0.052 4.690 4.640 -0.004 0.000 0.254 678 D C 0.413 176.764 176.300 0.084 0.000 1.414 678 D CA 0.300 54.331 54.000 0.052 0.000 1.145 678 D CB 0.038 40.869 40.800 0.052 0.000 0.941 678 D HN -0.038 nan 8.370 nan 0.000 0.250 679 N N -0.260 118.522 118.700 0.136 0.000 2.305 679 N HA 0.074 4.811 4.740 -0.004 0.000 0.248 679 N C 0.981 176.681 175.510 0.317 0.000 1.290 679 N CA -0.099 53.082 53.050 0.218 0.000 0.873 679 N CB 0.153 38.794 38.487 0.257 0.000 1.261 679 N HN 0.088 nan 8.380 nan 0.000 0.504 680 L N 0.408 121.736 121.223 0.176 0.000 2.081 680 L HA -0.115 4.222 4.340 -0.004 0.000 0.212 680 L C 1.184 178.162 176.870 0.180 0.000 1.080 680 L CA 1.958 56.878 54.840 0.133 0.000 0.754 680 L CB -0.346 41.724 42.059 0.018 0.000 0.893 680 L HN 0.116 nan 8.230 nan 0.000 0.433 681 D N -1.543 118.946 120.400 0.148 0.000 2.117 681 D HA -0.235 4.402 4.640 -0.004 0.000 0.197 681 D C 2.061 178.452 176.300 0.152 0.000 0.987 681 D CA 1.656 55.730 54.000 0.124 0.000 0.829 681 D CB -0.125 40.735 40.800 0.100 0.000 0.961 681 D HN 0.581 nan 8.370 nan 0.000 0.460 682 H N -0.938 118.197 119.070 0.108 0.000 2.395 682 H HA -0.056 4.498 4.556 -0.004 0.000 0.299 682 H C 1.690 177.080 175.328 0.103 0.000 1.070 682 H CA 1.237 57.328 56.048 0.072 0.000 1.356 682 H CB -0.278 29.491 29.762 0.012 0.000 1.401 682 H HN 0.145 nan 8.280 nan 0.000 0.524 683 Y N 0.407 120.707 120.300 0.001 0.000 2.114 683 Y HA -0.244 4.303 4.550 -0.004 0.000 0.282 683 Y C 2.417 178.286 175.900 -0.051 0.000 1.165 683 Y CA 1.720 59.823 58.100 0.005 0.000 1.148 683 Y CB 0.074 38.564 38.460 0.051 0.000 0.972 683 Y HN 0.145 nan 8.280 nan 0.000 0.504 684 R N -0.303 120.270 120.500 0.121 0.000 2.193 684 R HA -0.066 4.272 4.340 -0.004 0.000 0.213 684 R C 1.529 177.820 176.300 -0.015 0.000 1.055 684 R CA 0.650 56.773 56.100 0.039 0.000 0.995 684 R CB -0.707 29.617 30.300 0.041 0.000 0.893 684 R HN 0.509 nan 8.270 nan 0.000 0.459 685 N N 0.722 119.388 118.700 -0.058 0.000 2.424 685 N HA -0.058 4.680 4.740 -0.004 0.000 0.178 685 N C 0.265 175.700 175.510 -0.125 0.000 1.060 685 N CA 0.595 53.600 53.050 -0.075 0.000 0.901 685 N CB 0.371 38.837 38.487 -0.034 0.000 0.979 685 N HN 0.094 nan 8.380 nan 0.000 0.451 686 S N -0.201 115.382 115.700 -0.194 0.000 2.561 686 S HA 0.067 4.535 4.470 -0.004 0.000 0.245 686 S C 0.453 175.092 174.600 0.063 0.000 1.001 686 S CA -0.772 57.372 58.200 -0.093 0.000 1.002 686 S CB -0.062 63.019 63.200 -0.198 0.000 0.805 686 S HN 0.159 nan 8.310 nan 0.000 0.458 687 T N -1.421 113.128 114.554 -0.009 0.000 2.913 687 T HA 0.494 4.842 4.350 -0.004 0.000 0.287 687 T C 1.349 176.035 174.700 -0.023 0.000 1.008 687 T CA -0.626 61.458 62.100 -0.027 0.000 1.067 687 T CB 1.337 70.155 68.868 -0.083 0.000 0.996 687 T HN -0.040 nan 8.240 nan 0.000 0.513 688 V N 2.130 122.026 119.914 -0.030 0.000 2.358 688 V HA -0.147 3.970 4.120 -0.004 0.000 0.246 688 V C 2.651 178.708 176.094 -0.062 0.000 1.047 688 V CA 1.775 64.044 62.300 -0.051 0.000 1.035 688 V CB -0.952 30.832 31.823 -0.066 0.000 0.658 688 V HN 0.837 nan 8.190 nan 0.000 0.452 689 M N 1.156 120.705 119.600 -0.086 0.000 2.144 689 M HA -0.168 4.310 4.480 -0.004 0.000 0.260 689 M C 2.310 178.576 176.300 -0.057 0.000 1.067 689 M CA 2.166 57.409 55.300 -0.094 0.000 1.095 689 M CB -0.935 31.622 32.600 -0.073 0.000 1.365 689 M HN 0.537 nan 8.290 nan 0.000 0.406 690 S N -0.385 115.294 115.700 -0.035 0.000 2.507 690 S HA -0.068 4.400 4.470 -0.004 0.000 0.235 690 S C 1.736 176.337 174.600 0.001 0.000 0.988 690 S CA 0.675 58.864 58.200 -0.017 0.000 0.944 690 S CB -0.443 62.747 63.200 -0.017 0.000 0.762 690 S HN 0.541 nan 8.310 nan 0.000 0.526 691 R N 0.366 120.878 120.500 0.021 0.000 2.393 691 R HA 0.448 4.786 4.340 -0.004 0.000 0.244 691 R C 2.210 178.606 176.300 0.160 0.000 0.920 691 R CA 0.428 56.570 56.100 0.069 0.000 1.076 691 R CB -0.226 30.116 30.300 0.071 0.000 1.119 691 R HN 0.456 nan 8.270 nan 0.000 0.524 692 A N 1.841 124.702 122.820 0.068 0.000 1.915 692 A HA -0.316 4.002 4.320 -0.004 0.000 0.220 692 A C 2.061 179.716 177.584 0.118 0.000 1.198 692 A CA 2.113 54.157 52.037 0.011 0.000 0.647 692 A CB -0.347 18.597 19.000 -0.093 0.000 0.825 692 A HN 0.308 nan 8.150 nan 0.000 0.456 693 E N 0.399 120.647 120.200 0.080 0.000 2.118 693 E HA -0.195 4.152 4.350 -0.004 0.000 0.195 693 E C 1.639 178.294 176.600 0.091 0.000 0.992 693 E CA 1.908 58.352 56.400 0.073 0.000 0.804 693 E CB -0.555 29.171 29.700 0.042 0.000 0.741 693 E HN 0.791 nan 8.360 nan 0.000 0.458 694 N N -1.249 117.506 118.700 0.091 0.000 2.459 694 N HA -0.063 4.675 4.740 -0.004 0.000 0.181 694 N C 0.751 176.250 175.510 -0.020 0.000 1.046 694 N CA 0.271 53.330 53.050 0.015 0.000 0.904 694 N CB -0.118 38.335 38.487 -0.057 0.000 0.964 694 N HN 0.172 nan 8.380 nan 0.000 0.444 695 F N 1.281 121.184 119.950 -0.078 0.000 2.699 695 F HA 0.027 4.551 4.527 -0.004 0.000 0.298 695 F C 1.881 177.684 175.800 0.005 0.000 1.154 695 F CA 0.580 58.531 58.000 -0.083 0.000 1.457 695 F CB 0.116 39.012 39.000 -0.173 0.000 1.106 695 F HN -0.088 nan 8.300 nan 0.000 0.585 696 K N 0.001 120.496 120.400 0.158 0.000 2.362 696 K HA -0.160 4.158 4.320 -0.004 0.000 0.200 696 K C 1.554 178.210 176.600 0.093 0.000 1.046 696 K CA 0.955 57.316 56.287 0.123 0.000 0.952 696 K CB -0.116 32.438 32.500 0.091 0.000 0.753 696 K HN 0.410 nan 8.250 nan 0.000 0.466 697 Q N 0.168 120.002 119.800 0.057 0.000 2.425 697 Q HA 0.029 4.366 4.340 -0.004 0.000 0.204 697 Q C 0.169 176.203 176.000 0.058 0.000 0.933 697 Q CA 0.081 55.909 55.803 0.041 0.000 0.939 697 Q CB 0.698 29.440 28.738 0.007 0.000 1.044 697 Q HN 0.123 nan 8.270 nan 0.000 0.513 698 V N -3.123 116.840 119.914 0.082 0.000 3.130 698 V HA 0.475 4.593 4.120 -0.004 0.000 0.310 698 V C -1.249 174.982 176.094 0.227 0.000 1.158 698 V CA -1.324 61.051 62.300 0.125 0.000 1.029 698 V CB 2.277 34.134 31.823 0.057 0.000 1.057 698 V HN -0.038 nan 8.190 nan 0.000 0.436 699 E N 1.656 122.021 120.200 0.274 0.000 2.146 699 E HA 0.483 4.831 4.350 -0.004 0.000 0.282 699 E C -1.795 175.179 176.600 0.625 0.000 0.989 699 E CA -0.322 56.320 56.400 0.404 0.000 0.799 699 E CB 1.640 31.503 29.700 0.272 0.000 1.088 699 E HN 0.680 nan 8.360 nan 0.000 0.397 700 Y N 3.289 123.859 120.300 0.449 0.000 2.391 700 Y HA 0.449 4.997 4.550 -0.004 0.000 0.341 700 Y C -1.695 174.277 175.900 0.121 0.000 0.965 700 Y CA -1.551 56.742 58.100 0.322 0.000 1.067 700 Y CB 1.115 39.805 38.460 0.383 0.000 1.199 700 Y HN 0.428 nan 8.280 nan 0.000 0.450 701 L N 7.561 128.470 121.223 -0.524 0.000 2.325 701 L HA 0.604 4.941 4.340 -0.004 0.000 0.281 701 L C -2.136 174.284 176.870 -0.751 0.000 1.004 701 L CA -0.792 53.617 54.840 -0.718 0.000 0.823 701 L CB 1.290 42.634 42.059 -1.192 0.000 1.236 701 L HN 0.637 nan 8.230 nan 0.000 0.415 702 L N 6.659 127.548 121.223 -0.557 0.000 2.296 702 L HA 0.679 5.017 4.340 -0.004 0.000 0.286 702 L C -1.043 175.712 176.870 -0.191 0.000 1.023 702 L CA 0.016 54.583 54.840 -0.455 0.000 0.812 702 L CB 1.119 42.971 42.059 -0.346 0.000 1.223 702 L HN 0.592 nan 8.230 nan 0.000 0.421 703 I N 4.454 124.919 120.570 -0.175 0.000 2.582 703 I HA 0.439 4.606 4.170 -0.004 0.000 0.292 703 I C -1.198 174.896 176.117 -0.038 0.000 1.066 703 I CA -0.675 60.573 61.300 -0.087 0.000 1.053 703 I CB 2.045 39.958 38.000 -0.145 0.000 1.241 703 I HN 0.657 nan 8.210 nan 0.000 0.421 704 H N 2.336 121.453 119.070 0.079 0.000 3.029 704 H HA 0.488 5.042 4.556 -0.004 0.000 0.358 704 H C -0.232 175.327 175.328 0.384 0.000 1.129 704 H CA -0.565 55.581 56.048 0.164 0.000 1.230 704 H CB 2.038 31.836 29.762 0.059 0.000 1.827 704 H HN 0.738 nan 8.280 nan 0.000 0.530 705 G N 1.052 110.176 108.800 0.540 0.000 2.380 705 G HA2 0.168 4.126 3.960 -0.004 0.000 0.262 705 G HA3 0.168 4.126 3.960 -0.004 0.000 0.262 705 G C 1.174 176.375 174.900 0.501 0.000 1.243 705 G CA 0.184 45.586 45.100 0.503 0.000 0.865 705 G HN 0.765 nan 8.290 nan 0.000 0.513 706 T N -0.471 114.248 114.554 0.274 0.000 2.995 706 T HA 0.057 4.405 4.350 -0.004 0.000 0.269 706 T C 1.765 176.474 174.700 0.015 0.000 1.091 706 T CA 1.322 63.404 62.100 -0.030 0.000 1.128 706 T CB 0.125 68.893 68.868 -0.165 0.000 0.891 706 T HN 0.688 nan 8.240 nan 0.000 0.492 707 A N 1.076 123.982 122.820 0.143 0.000 2.577 707 A HA 0.302 4.619 4.320 -0.004 0.000 0.280 707 A C 0.446 178.043 177.584 0.022 0.000 1.331 707 A CA -0.482 51.638 52.037 0.138 0.000 0.935 707 A CB -0.360 18.978 19.000 0.563 0.000 1.082 707 A HN 0.397 nan 8.150 nan 0.000 0.525 708 D N 1.539 121.954 120.400 0.025 0.000 2.342 708 D HA -0.005 4.632 4.640 -0.004 0.000 0.260 708 D C 0.322 176.598 176.300 -0.040 0.000 1.278 708 D CA 0.089 54.190 54.000 0.169 0.000 0.910 708 D CB 0.656 41.703 40.800 0.413 0.000 1.079 708 D HN 0.564 nan 8.370 nan 0.000 0.496 709 D N 2.274 122.714 120.400 0.067 0.000 2.349 709 D HA -0.125 4.513 4.640 -0.004 0.000 0.215 709 D C 0.852 177.156 176.300 0.008 0.000 1.016 709 D CA -0.079 53.922 54.000 0.000 0.000 0.870 709 D CB 0.496 41.268 40.800 -0.047 0.000 0.917 709 D HN 0.229 nan 8.370 nan 0.000 0.524 710 N N 0.701 119.477 118.700 0.126 0.000 2.523 710 N HA -0.038 4.700 4.740 -0.004 0.000 0.209 710 N C -0.132 175.322 175.510 -0.094 0.000 1.039 710 N CA 0.405 53.572 53.050 0.195 0.000 1.002 710 N CB 0.596 39.235 38.487 0.254 0.000 1.270 710 N HN -0.115 nan 8.380 nan 0.000 0.481 711 V N 4.030 123.891 119.914 -0.088 0.000 2.320 711 V HA 0.219 4.337 4.120 -0.004 0.000 0.265 711 V C -0.564 175.581 176.094 0.085 0.000 1.048 711 V CA -0.676 61.613 62.300 -0.018 0.000 0.865 711 V CB 0.119 31.974 31.823 0.053 0.000 1.043 711 V HN 0.303 nan 8.190 nan 0.000 0.474 712 H N 3.569 122.619 119.070 -0.034 0.000 2.815 712 H HA 0.039 4.592 4.556 -0.004 0.000 0.350 712 H C 0.861 176.038 175.328 -0.252 0.000 1.080 712 H CA -0.360 55.580 56.048 -0.179 0.000 1.433 712 H CB 0.584 30.157 29.762 -0.314 0.000 1.432 712 H HN 0.635 nan 8.280 nan 0.000 0.592 713 F N 2.094 121.838 119.950 -0.343 0.000 2.184 713 F HA -0.308 4.217 4.527 -0.004 0.000 0.301 713 F C 2.587 178.107 175.800 -0.467 0.000 1.076 713 F CA 1.938 59.540 58.000 -0.664 0.000 1.295 713 F CB -0.044 38.751 39.000 -0.342 0.000 1.026 713 F HN 0.661 nan 8.300 nan 0.000 0.494 714 Q N 0.182 119.855 119.800 -0.212 0.000 2.182 714 Q HA -0.337 4.000 4.340 -0.004 0.000 0.213 714 Q C 2.063 177.837 176.000 -0.377 0.000 1.000 714 Q CA 2.435 58.060 55.803 -0.296 0.000 0.889 714 Q CB -0.371 28.157 28.738 -0.351 0.000 0.932 714 Q HN 0.612 nan 8.270 nan 0.000 0.415 715 Q N -0.483 119.132 119.800 -0.308 0.000 2.084 715 Q HA -0.106 4.232 4.340 -0.004 0.000 0.202 715 Q C 2.231 178.139 176.000 -0.155 0.000 0.978 715 Q CA 1.688 57.431 55.803 -0.099 0.000 0.844 715 Q CB -0.031 28.723 28.738 0.027 0.000 0.898 715 Q HN 0.335 nan 8.270 nan 0.000 0.426 716 S N 0.706 116.197 115.700 -0.347 0.000 2.414 716 S HA 0.019 4.486 4.470 -0.004 0.000 0.227 716 S C 2.049 176.404 174.600 -0.410 0.000 1.022 716 S CA 0.641 58.634 58.200 -0.345 0.000 0.958 716 S CB -0.054 62.935 63.200 -0.352 0.000 0.797 716 S HN 0.452 nan 8.310 nan 0.000 0.493 717 A N 1.489 123.979 122.820 -0.551 0.000 1.940 717 A HA -0.156 4.161 4.320 -0.004 0.000 0.219 717 A C 2.128 179.618 177.584 -0.158 0.000 1.176 717 A CA 1.221 53.080 52.037 -0.297 0.000 0.631 717 A CB -0.399 18.492 19.000 -0.182 0.000 0.814 717 A HN 0.364 nan 8.150 nan 0.000 0.446 718 Q N -0.637 119.075 119.800 -0.147 0.000 2.187 718 Q HA 0.025 4.362 4.340 -0.004 0.000 0.199 718 Q C 2.121 178.067 176.000 -0.091 0.000 0.957 718 Q CA 0.953 56.720 55.803 -0.060 0.000 0.857 718 Q CB -0.283 28.493 28.738 0.064 0.000 0.929 718 Q HN 0.782 nan 8.270 nan 0.000 0.453 719 I N 1.160 121.647 120.570 -0.139 0.000 2.142 719 I HA -0.287 3.880 4.170 -0.004 0.000 0.240 719 I C 2.573 178.516 176.117 -0.289 0.000 1.078 719 I CA 1.555 62.723 61.300 -0.220 0.000 1.343 719 I CB -0.420 37.449 38.000 -0.218 0.000 1.046 719 I HN 0.173 nan 8.210 nan 0.000 0.405 720 S N 0.764 116.324 115.700 -0.233 0.000 2.382 720 S HA -0.261 4.207 4.470 -0.004 0.000 0.228 720 S C 2.041 176.611 174.600 -0.050 0.000 1.027 720 S CA 1.393 59.488 58.200 -0.175 0.000 0.991 720 S CB -0.405 62.859 63.200 0.106 0.000 0.823 720 S HN 0.372 nan 8.310 nan 0.000 0.469 721 K N 1.706 122.079 120.400 -0.045 0.000 2.026 721 K HA 0.041 4.358 4.320 -0.004 0.000 0.208 721 K C 2.322 178.900 176.600 -0.035 0.000 1.048 721 K CA 1.183 57.461 56.287 -0.014 0.000 0.929 721 K CB -0.743 31.747 32.500 -0.016 0.000 0.713 721 K HN 0.435 nan 8.250 nan 0.000 0.439 722 A N 1.062 123.832 122.820 -0.083 0.000 1.940 722 A HA -0.134 4.184 4.320 -0.004 0.000 0.219 722 A C 2.104 179.622 177.584 -0.109 0.000 1.176 722 A CA 1.452 53.433 52.037 -0.094 0.000 0.631 722 A CB -0.627 18.298 19.000 -0.125 0.000 0.814 722 A HN 0.335 nan 8.150 nan 0.000 0.446 723 L N -0.735 120.378 121.223 -0.183 0.000 2.056 723 L HA -0.126 4.211 4.340 -0.004 0.000 0.207 723 L C 2.499 179.387 176.870 0.030 0.000 1.078 723 L CA 0.891 55.634 54.840 -0.162 0.000 0.749 723 L CB -0.586 41.216 42.059 -0.429 0.000 0.901 723 L HN 0.230 nan 8.230 nan 0.000 0.433 724 V N -0.138 119.830 119.914 0.090 0.000 2.332 724 V HA -0.296 3.821 4.120 -0.004 0.000 0.248 724 V C 1.970 178.101 176.094 0.062 0.000 1.055 724 V CA 1.903 64.275 62.300 0.121 0.000 1.038 724 V CB -0.537 31.359 31.823 0.121 0.000 0.651 724 V HN 0.417 nan 8.190 nan 0.000 0.450 725 D N 0.113 120.531 120.400 0.029 0.000 2.264 725 D HA -0.095 4.543 4.640 -0.004 0.000 0.208 725 D C 1.759 178.072 176.300 0.020 0.000 0.966 725 D CA 1.529 55.540 54.000 0.019 0.000 0.864 725 D CB -0.029 40.773 40.800 0.004 0.000 0.933 725 D HN 0.555 nan 8.370 nan 0.000 0.499 726 V N -3.903 116.024 119.914 0.021 0.000 3.483 726 V HA 0.503 4.621 4.120 -0.004 0.000 0.301 726 V C 1.186 177.308 176.094 0.047 0.000 1.389 726 V CA 0.305 62.622 62.300 0.028 0.000 1.101 726 V CB -0.050 31.786 31.823 0.021 0.000 0.971 726 V HN 0.135 nan 8.190 nan 0.000 0.434 727 G N 0.537 109.373 108.800 0.060 0.000 2.225 727 G HA2 -0.179 3.779 3.960 -0.004 0.000 0.264 727 G HA3 -0.179 3.779 3.960 -0.004 0.000 0.264 727 G C -0.119 174.843 174.900 0.102 0.000 1.060 727 G CA 0.176 45.321 45.100 0.075 0.000 0.833 727 G HN 0.889 nan 8.290 nan 0.000 0.498 728 V N 0.535 120.529 119.914 0.133 0.000 2.383 728 V HA 0.428 4.546 4.120 -0.004 0.000 0.275 728 V C 0.406 176.682 176.094 0.304 0.000 1.036 728 V CA -0.622 61.790 62.300 0.187 0.000 0.889 728 V CB 1.690 33.608 31.823 0.157 0.000 0.985 728 V HN 0.419 nan 8.190 nan 0.000 0.459 729 D N 4.445 124.999 120.400 0.256 0.000 2.304 729 D HA 0.538 5.176 4.640 -0.004 0.000 0.250 729 D C -0.552 175.982 176.300 0.391 0.000 1.107 729 D CA 0.232 54.376 54.000 0.240 0.000 0.885 729 D CB 0.635 41.511 40.800 0.127 0.000 1.192 729 D HN 0.347 nan 8.370 nan 0.000 0.436 730 F N 0.143 120.172 119.950 0.132 0.000 2.745 730 F HA 0.500 5.024 4.527 -0.004 0.000 0.316 730 F C -1.400 174.458 175.800 0.095 0.000 1.155 730 F CA -1.145 56.954 58.000 0.165 0.000 0.937 730 F CB 0.742 39.872 39.000 0.217 0.000 1.361 730 F HN 0.043 nan 8.300 nan 0.000 0.472 731 Q N 1.398 121.269 119.800 0.118 0.000 2.245 731 Q HA 0.791 5.128 4.340 -0.004 0.000 0.256 731 Q C -0.849 175.135 176.000 -0.027 0.000 0.942 731 Q CA -0.740 55.036 55.803 -0.044 0.000 0.896 731 Q CB 2.006 30.748 28.738 0.007 0.000 1.272 731 Q HN 1.027 nan 8.270 nan 0.000 0.442 732 A N 1.984 124.757 122.820 -0.080 0.000 2.454 732 A HA 0.849 5.166 4.320 -0.004 0.000 0.302 732 A C -1.203 176.333 177.584 -0.079 0.000 1.079 732 A CA -0.606 51.428 52.037 -0.004 0.000 0.731 732 A CB 1.854 20.898 19.000 0.073 0.000 1.299 732 A HN 0.621 nan 8.150 nan 0.000 0.413 733 M N 1.769 121.311 119.600 -0.097 0.000 2.255 733 M HA 0.555 5.032 4.480 -0.004 0.000 0.275 733 M C -1.819 174.376 176.300 -0.175 0.000 1.050 733 M CA -0.682 54.422 55.300 -0.327 0.000 0.978 733 M CB 1.094 33.402 32.600 -0.486 0.000 1.761 733 M HN 0.879 nan 8.290 nan 0.000 0.479 734 W N 4.408 125.568 121.300 -0.234 0.000 2.448 734 W HA 0.746 5.403 4.660 -0.004 0.000 0.339 734 W C -1.906 174.344 176.519 -0.449 0.000 1.124 734 W CA -0.712 56.568 57.345 -0.108 0.000 1.262 734 W CB 0.312 29.764 29.460 -0.012 0.000 1.251 734 W HN 0.608 nan 8.180 nan 0.000 0.597 735 Y N 2.558 122.985 120.300 0.212 0.000 2.478 735 Y HA 0.283 4.830 4.550 -0.004 0.000 0.329 735 Y C 0.557 176.577 175.900 0.200 0.000 0.967 735 Y CA -1.082 57.070 58.100 0.087 0.000 1.255 735 Y CB 1.066 39.555 38.460 0.048 0.000 1.103 735 Y HN 0.421 nan 8.280 nan 0.000 0.497 736 T N 4.684 119.414 114.554 0.294 0.000 2.822 736 T HA -0.040 4.307 4.350 -0.004 0.000 0.288 736 T C 0.209 174.994 174.700 0.141 0.000 0.991 736 T CA 0.696 62.923 62.100 0.212 0.000 1.176 736 T CB -0.159 68.772 68.868 0.107 0.000 0.951 736 T HN 0.698 nan 8.240 nan 0.000 0.526 737 D N 0.858 121.318 120.400 0.101 0.000 3.079 737 D HA -0.122 4.515 4.640 -0.004 0.000 0.214 737 D C 0.258 176.696 176.300 0.231 0.000 1.145 737 D CA 1.100 55.094 54.000 -0.009 0.000 0.958 737 D CB -0.388 40.169 40.800 -0.405 0.000 1.117 737 D HN 0.548 nan 8.370 nan 0.000 0.416 738 E N 0.903 121.262 120.200 0.264 0.000 2.313 738 E HA 0.327 4.675 4.350 -0.004 0.000 0.272 738 E C 0.807 177.608 176.600 0.334 0.000 1.038 738 E CA -0.269 56.307 56.400 0.294 0.000 0.863 738 E CB 1.229 31.094 29.700 0.276 0.000 1.060 738 E HN 0.341 nan 8.360 nan 0.000 0.402 739 D N -0.222 120.386 120.400 0.346 0.000 2.509 739 D HA 0.001 4.638 4.640 -0.004 0.000 0.275 739 D C 1.068 177.616 176.300 0.413 0.000 1.189 739 D CA -0.154 54.075 54.000 0.381 0.000 1.098 739 D CB -0.236 40.812 40.800 0.413 0.000 1.177 739 D HN 0.403 nan 8.370 nan 0.000 0.599 740 H N -1.536 117.734 119.070 0.333 0.000 2.456 740 H HA 0.132 4.686 4.556 -0.004 0.000 0.296 740 H C 1.891 177.493 175.328 0.457 0.000 1.079 740 H CA 2.055 58.323 56.048 0.368 0.000 1.322 740 H CB -0.380 29.581 29.762 0.332 0.000 1.388 740 H HN 0.487 nan 8.280 nan 0.000 0.538 741 G N -0.156 108.832 108.800 0.313 0.000 2.712 741 G HA2 -0.012 3.946 3.960 -0.004 0.000 0.212 741 G HA3 -0.012 3.946 3.960 -0.004 0.000 0.212 741 G C 0.659 175.741 174.900 0.304 0.000 1.142 741 G CA 0.273 45.476 45.100 0.172 0.000 0.789 741 G HN 0.522 nan 8.290 nan 0.000 0.535 742 I N 0.097 120.890 120.570 0.372 0.000 3.859 742 I HA -0.336 3.832 4.170 -0.004 0.000 0.126 742 I C 1.495 177.754 176.117 0.237 0.000 1.065 742 I CA 0.210 61.681 61.300 0.285 0.000 2.735 742 I CB -1.148 36.999 38.000 0.246 0.000 1.465 742 I HN 0.264 nan 8.210 nan 0.000 0.341 743 A N 1.308 124.237 122.820 0.183 0.000 2.431 743 A HA 0.271 4.589 4.320 -0.004 0.000 0.239 743 A C 1.124 178.762 177.584 0.090 0.000 1.230 743 A CA 0.545 52.657 52.037 0.125 0.000 0.928 743 A CB 0.241 19.283 19.000 0.069 0.000 1.006 743 A HN 0.632 nan 8.150 nan 0.000 0.520 744 S N -0.187 115.581 115.700 0.113 0.000 2.568 744 S HA 0.152 4.620 4.470 -0.004 0.000 0.282 744 S C 1.249 175.902 174.600 0.089 0.000 1.338 744 S CA 0.450 58.707 58.200 0.094 0.000 1.045 744 S CB 1.089 64.354 63.200 0.108 0.000 0.873 744 S HN 0.530 nan 8.310 nan 0.000 0.516 745 S N 2.172 117.910 115.700 0.062 0.000 2.365 745 S HA -0.177 4.290 4.470 -0.004 0.000 0.225 745 S C 2.064 176.720 174.600 0.093 0.000 1.039 745 S CA 2.292 60.526 58.200 0.057 0.000 1.033 745 S CB -1.531 61.686 63.200 0.029 0.000 0.887 745 S HN 1.057 nan 8.310 nan 0.000 0.447 746 T N -0.538 114.063 114.554 0.078 0.000 2.857 746 T HA 0.241 4.589 4.350 -0.004 0.000 0.266 746 T C 1.965 176.720 174.700 0.092 0.000 1.048 746 T CA 1.152 63.301 62.100 0.081 0.000 1.139 746 T CB -0.794 68.112 68.868 0.063 0.000 0.874 746 T HN 0.442 nan 8.240 nan 0.000 0.455 747 A N 1.330 124.186 122.820 0.060 0.000 1.929 747 A HA -0.025 4.292 4.320 -0.004 0.000 0.216 747 A C 2.166 179.696 177.584 -0.090 0.000 1.176 747 A CA 1.818 53.819 52.037 -0.061 0.000 0.628 747 A CB -1.182 17.751 19.000 -0.112 0.000 0.816 747 A HN 0.757 nan 8.150 nan 0.000 0.444 748 H N -0.050 119.004 119.070 -0.027 0.000 2.319 748 H HA -0.158 4.395 4.556 -0.004 0.000 0.299 748 H C 2.099 177.494 175.328 0.112 0.000 1.092 748 H CA 2.380 58.470 56.048 0.071 0.000 1.302 748 H CB -0.192 29.612 29.762 0.070 0.000 1.373 748 H HN 0.563 nan 8.280 nan 0.000 0.497 749 Q N -0.983 118.839 119.800 0.037 0.000 2.124 749 Q HA -0.192 4.146 4.340 -0.004 0.000 0.202 749 Q C 2.202 178.194 176.000 -0.014 0.000 0.977 749 Q CA 1.348 57.134 55.803 -0.028 0.000 0.850 749 Q CB -0.170 28.587 28.738 0.032 0.000 0.901 749 Q HN 0.651 nan 8.270 nan 0.000 0.429 750 H N 0.636 119.677 119.070 -0.049 0.000 2.357 750 H HA -0.043 4.510 4.556 -0.004 0.000 0.301 750 H C 2.031 177.353 175.328 -0.010 0.000 1.082 750 H CA 1.186 57.239 56.048 0.008 0.000 1.342 750 H CB 0.048 29.869 29.762 0.099 0.000 1.389 750 H HN 0.268 nan 8.280 nan 0.000 0.511 751 I N 0.182 120.702 120.570 -0.083 0.000 2.252 751 I HA -0.315 3.852 4.170 -0.004 0.000 0.245 751 I C 1.741 177.616 176.117 -0.403 0.000 1.102 751 I CA 1.191 62.356 61.300 -0.224 0.000 1.385 751 I CB -0.246 37.438 38.000 -0.525 0.000 1.064 751 I HN 0.146 nan 8.210 nan 0.000 0.414 752 Y N 0.987 121.064 120.300 -0.372 0.000 2.293 752 Y HA -0.192 4.355 4.550 -0.004 0.000 0.291 752 Y C 2.718 178.419 175.900 -0.332 0.000 1.137 752 Y CA 1.807 59.580 58.100 -0.546 0.000 1.202 752 Y CB -0.886 37.251 38.460 -0.539 0.000 0.990 752 Y HN 0.151 nan 8.280 nan 0.000 0.537 753 T N -1.598 112.887 114.554 -0.115 0.000 2.746 753 T HA -0.235 4.113 4.350 -0.004 0.000 0.267 753 T C 1.561 176.161 174.700 -0.166 0.000 1.039 753 T CA 1.909 63.907 62.100 -0.171 0.000 1.142 753 T CB -0.461 68.304 68.868 -0.172 0.000 0.866 753 T HN 0.399 nan 8.240 nan 0.000 0.444 754 H N 0.923 119.880 119.070 -0.189 0.000 2.321 754 H HA 0.105 4.659 4.556 -0.004 0.000 0.300 754 H C 2.205 177.526 175.328 -0.011 0.000 1.087 754 H CA 1.576 57.584 56.048 -0.067 0.000 1.319 754 H CB -0.283 29.433 29.762 -0.076 0.000 1.379 754 H HN 0.247 nan 8.280 nan 0.000 0.501 755 M N -0.751 118.789 119.600 -0.100 0.000 2.117 755 M HA -0.176 4.301 4.480 -0.004 0.000 0.262 755 M C 2.417 178.847 176.300 0.217 0.000 1.065 755 M CA 1.611 56.859 55.300 -0.087 0.000 1.114 755 M CB -0.065 32.226 32.600 -0.516 0.000 1.361 755 M HN 0.210 nan 8.290 nan 0.000 0.408 756 S N -0.562 115.297 115.700 0.266 0.000 2.359 756 S HA -0.169 4.299 4.470 -0.004 0.000 0.224 756 S C 1.695 176.391 174.600 0.161 0.000 1.035 756 S CA 1.098 59.527 58.200 0.380 0.000 1.018 756 S CB -0.654 62.770 63.200 0.374 0.000 0.876 756 S HN 0.466 nan 8.310 nan 0.000 0.448 757 H N -0.092 119.044 119.070 0.110 0.000 2.353 757 H HA -0.043 4.511 4.556 -0.004 0.000 0.300 757 H C 1.986 177.320 175.328 0.010 0.000 1.090 757 H CA 1.365 57.430 56.048 0.029 0.000 1.327 757 H CB -0.761 28.972 29.762 -0.049 0.000 1.383 757 H HN 0.456 nan 8.280 nan 0.000 0.508 758 F N 1.317 121.258 119.950 -0.016 0.000 2.075 758 F HA -0.187 4.337 4.527 -0.004 0.000 0.297 758 F C 2.330 178.084 175.800 -0.078 0.000 1.113 758 F CA 0.932 58.890 58.000 -0.069 0.000 1.218 758 F CB -0.305 38.628 39.000 -0.112 0.000 0.984 758 F HN -0.051 nan 8.300 nan 0.000 0.472 759 I N 0.733 121.318 120.570 0.026 0.000 2.208 759 I HA -0.301 3.867 4.170 -0.004 0.000 0.245 759 I C 2.266 178.167 176.117 -0.360 0.000 1.097 759 I CA 1.593 62.730 61.300 -0.271 0.000 1.363 759 I CB -1.366 36.543 38.000 -0.151 0.000 1.051 759 I HN 0.240 nan 8.210 nan 0.000 0.413 760 K N 0.120 120.460 120.400 -0.100 0.000 2.057 760 K HA -0.213 4.105 4.320 -0.004 0.000 0.207 760 K C 2.145 178.730 176.600 -0.026 0.000 1.049 760 K CA 1.057 57.342 56.287 -0.002 0.000 0.931 760 K CB -0.202 32.351 32.500 0.089 0.000 0.714 760 K HN 0.318 nan 8.250 nan 0.000 0.440 761 Q N 1.273 121.018 119.800 -0.091 0.000 2.020 761 Q HA -0.226 4.112 4.340 -0.004 0.000 0.202 761 Q C 2.311 178.210 176.000 -0.167 0.000 0.982 761 Q CA 1.973 57.703 55.803 -0.121 0.000 0.838 761 Q CB -0.790 27.851 28.738 -0.162 0.000 0.899 761 Q HN 0.420 nan 8.270 nan 0.000 0.423 762 c N 0.334 118.726 118.600 -0.347 0.000 2.413 762 c HA -0.124 4.444 4.570 -0.004 0.000 0.277 762 c C 2.296 176.394 174.090 0.013 0.000 1.265 762 c CA 0.650 56.801 56.329 -0.298 0.000 1.752 762 c CB -1.435 40.747 42.510 -0.547 0.000 1.998 762 c HN 0.552 nan 8.230 nan 0.000 0.489 763 F N 1.582 121.494 119.950 -0.063 0.000 2.765 763 F HA 0.243 4.768 4.527 -0.004 0.000 0.302 763 F C 1.640 177.426 175.800 -0.023 0.000 1.111 763 F CA 0.478 58.462 58.000 -0.026 0.000 1.359 763 F CB -1.165 37.827 39.000 -0.013 0.000 1.097 763 F HN 0.233 nan 8.300 nan 0.000 0.577 764 S N 0.941 116.723 115.700 0.136 0.000 3.706 764 S HA -0.203 4.264 4.470 -0.004 0.000 0.363 764 S C -0.082 174.563 174.600 0.075 0.000 0.999 764 S CA 0.059 58.303 58.200 0.073 0.000 1.143 764 S CB -2.136 61.096 63.200 0.053 0.000 0.902 764 S HN 0.229 nan 8.310 nan 0.000 0.476 765 L N 1.995 123.273 121.223 0.091 0.000 2.295 765 L HA 0.497 4.834 4.340 -0.004 0.000 0.285 765 L C -1.024 175.888 176.870 0.070 0.000 1.035 765 L CA -1.906 52.984 54.840 0.084 0.000 0.806 765 L CB 0.678 42.804 42.059 0.112 0.000 1.214 765 L HN 0.102 nan 8.230 nan 0.000 0.426 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.134 63.100 0.057 0.000 0.800 766 P CB 0.000 31.727 31.700 0.045 0.000 0.726