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 1n1m_1_B DATA FIRST_RESID 39 DATA SEQUENCE SRKTYTLTDY LKNTYRLKLY SLRWISDHEY LYKQENNILV FNAEYGNSSV DATA SEQUENCE FLENSTFDEF GHSINDYSIS PDGQFILLEY NYVKQWRHSY TASYDIYDLN DATA SEQUENCE KRQLITEERI PNNTQWVTWS PVGHKLAYVW NNDIYVKIEP NLPSYRITWT DATA SEQUENCE GKEDIIYNGI TDWVYEEEVF SAYSALWWSP NGTFLAYAQF NDTEVPLIEY DATA SEQUENCE SFYSDESLQY PKTVRVPYPK AGAVNPTVKF FVVNTDSLSS VTNATSIQIT DATA SEQUENCE APASMLIGDH YLCDVTWATQ ERISLQWLRR IQNYSVMDIc DYDESSGRWN DATA SEQUENCE cLVARQHIEM STTGWVGRFR PSEPHFTLDG NSFYKIISNE EGYRHIcYFQ DATA SEQUENCE IDKKDcTFIT KGTWEVIGIE ALTSDYLYYI SNEYKGMPGG RNLYKIQLSD DATA SEQUENCE YTKVTCLSCE LNPERcQYYS VSFSKEAKYY QLRcSGPGLP LYTLHSSVND DATA SEQUENCE KGLRVLEDNS ALDKMLQNVQ MPSKKLDFII LNETKFWYQM ILPPHFDKSK DATA SEQUENCE KYPLLLDVYA GPCSQKADTV FRLNWATYLA STENIIVASF DGRGSGYQGD DATA SEQUENCE KIMHAINRRL GTFEVEDQIE AARQFSKMGF VDNKRIAIWG WSYGGYVTSM DATA SEQUENCE VLGSGSGVFK cGIAVAPVSR WEYYDSVYTE RYMGLPTPED NLDHYRNSTV DATA SEQUENCE MSRAENFKQV EYLLIHGTAD DNVHFQQSAQ ISKALVDVGV DFQAMWYTDE DATA SEQUENCE DHGIASSTAH QHIYTHMSHF IKQcFSLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 39 S HA 0.000 nan 4.470 nan 0.000 0.327 39 S C 0.000 174.634 174.600 0.056 0.000 1.055 39 S CA 0.000 58.225 58.200 0.042 0.000 1.107 39 S CB 0.000 63.220 63.200 0.033 0.000 0.593 40 R N 2.243 122.779 120.500 0.059 0.000 1.709 40 R HA -0.119 4.221 4.340 -0.000 0.000 0.388 40 R C -0.195 176.154 176.300 0.082 0.000 1.255 40 R CA 0.954 57.096 56.100 0.069 0.000 1.080 40 R CB -0.354 29.988 30.300 0.071 0.000 3.200 40 R HN 0.726 nan 8.270 nan 0.000 0.488 41 K N 2.243 122.697 120.400 0.090 0.000 2.102 41 K HA 0.363 4.683 4.320 -0.000 0.000 0.244 41 K C 0.151 176.822 176.600 0.118 0.000 1.021 41 K CA 0.050 56.400 56.287 0.104 0.000 0.913 41 K CB 1.009 33.577 32.500 0.113 0.000 1.062 41 K HN 0.546 nan 8.250 nan 0.000 0.485 42 T N -2.319 112.315 114.554 0.133 0.000 2.880 42 T HA 0.193 4.543 4.350 -0.000 0.000 0.279 42 T C -0.456 174.383 174.700 0.232 0.000 0.990 42 T CA -0.634 61.562 62.100 0.158 0.000 0.938 42 T CB 0.293 69.249 68.868 0.146 0.000 1.206 42 T HN 0.482 nan 8.240 nan 0.000 0.573 43 Y N 2.211 122.591 120.300 0.133 0.000 2.452 43 Y HA 0.415 4.965 4.550 -0.000 0.000 0.348 43 Y C 0.727 176.780 175.900 0.255 0.000 0.985 43 Y CA -0.535 57.687 58.100 0.202 0.000 1.214 43 Y CB -0.009 38.540 38.460 0.149 0.000 1.136 43 Y HN 0.996 nan 8.280 nan 0.000 0.523 44 T N 2.772 117.270 114.554 -0.094 0.000 2.927 44 T HA 0.184 4.534 4.350 -0.000 0.000 0.281 44 T C 0.947 175.480 174.700 -0.277 0.000 0.998 44 T CA -0.849 61.221 62.100 -0.050 0.000 1.019 44 T CB 1.430 70.275 68.868 -0.038 0.000 1.061 44 T HN 0.678 nan 8.240 nan 0.000 0.518 45 L N 1.603 122.524 121.223 -0.503 0.000 2.042 45 L HA -0.033 4.307 4.340 -0.000 0.000 0.210 45 L C 2.567 179.279 176.870 -0.263 0.000 1.076 45 L CA 2.185 56.641 54.840 -0.641 0.000 0.749 45 L CB -1.398 40.156 42.059 -0.842 0.000 0.893 45 L HN 0.970 nan 8.230 nan 0.000 0.432 46 T N -0.862 113.560 114.554 -0.220 0.000 2.821 46 T HA -0.136 4.214 4.350 -0.000 0.000 0.267 46 T C 1.482 176.071 174.700 -0.186 0.000 1.046 46 T CA 1.300 63.302 62.100 -0.162 0.000 1.139 46 T CB -0.345 68.452 68.868 -0.119 0.000 0.871 46 T HN 0.395 nan 8.240 nan 0.000 0.454 47 D N 0.256 120.506 120.400 -0.249 0.000 2.117 47 D HA -0.084 4.556 4.640 -0.000 0.000 0.197 47 D C 1.759 177.917 176.300 -0.237 0.000 0.987 47 D CA 1.039 54.845 54.000 -0.324 0.000 0.829 47 D CB -0.353 40.162 40.800 -0.476 0.000 0.961 47 D HN 0.409 nan 8.370 nan 0.000 0.460 48 Y N 1.572 121.654 120.300 -0.362 0.000 2.163 48 Y HA -0.091 4.459 4.550 -0.000 0.000 0.288 48 Y C 2.194 178.077 175.900 -0.028 0.000 1.136 48 Y CA 1.198 59.249 58.100 -0.081 0.000 1.147 48 Y CB -0.573 37.891 38.460 0.006 0.000 0.987 48 Y HN -0.112 nan 8.280 nan 0.000 0.509 49 L N -0.098 120.937 121.223 -0.314 0.000 2.093 49 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 49 L C 2.015 178.766 176.870 -0.198 0.000 1.085 49 L CA 1.283 55.922 54.840 -0.334 0.000 0.755 49 L CB -0.472 41.467 42.059 -0.200 0.000 0.904 49 L HN 0.050 nan 8.230 nan 0.000 0.435 50 K N 0.024 120.329 120.400 -0.158 0.000 2.444 50 K HA 0.016 4.336 4.320 -0.000 0.000 0.193 50 K C 0.267 176.802 176.600 -0.108 0.000 1.024 50 K CA -0.030 56.187 56.287 -0.117 0.000 1.077 50 K CB -0.461 31.971 32.500 -0.112 0.000 0.833 50 K HN 0.163 nan 8.250 nan 0.000 0.517 51 N N 0.884 119.519 118.700 -0.107 0.000 2.727 51 N HA -0.166 4.574 4.740 -0.000 0.000 0.251 51 N C 0.159 175.626 175.510 -0.071 0.000 1.040 51 N CA 0.919 53.943 53.050 -0.043 0.000 0.712 51 N CB -1.332 37.135 38.487 -0.034 0.000 0.912 51 N HN 0.101 nan 8.380 nan 0.000 0.545 52 T N -0.564 113.879 114.554 -0.185 0.000 2.674 52 T HA -0.149 4.201 4.350 -0.000 0.000 0.265 52 T C 0.348 174.837 174.700 -0.352 0.000 1.039 52 T CA 1.530 63.397 62.100 -0.388 0.000 1.150 52 T CB -0.207 68.196 68.868 -0.774 0.000 0.864 52 T HN 0.392 nan 8.240 nan 0.000 0.427 53 Y N 2.077 122.476 120.300 0.165 0.000 2.594 53 Y HA 0.525 5.075 4.550 -0.000 0.000 0.342 53 Y C 0.435 176.445 175.900 0.183 0.000 1.010 53 Y CA -1.406 56.811 58.100 0.195 0.000 1.270 53 Y CB 0.087 38.724 38.460 0.295 0.000 1.125 53 Y HN -0.026 nan 8.280 nan 0.000 0.513 54 R N 3.070 123.714 120.500 0.239 0.000 2.368 54 R HA 0.566 4.906 4.340 -0.000 0.000 0.302 54 R C -1.157 175.249 176.300 0.176 0.000 1.002 54 R CA -0.556 55.649 56.100 0.175 0.000 0.929 54 R CB 0.699 31.061 30.300 0.103 0.000 1.073 54 R HN 0.697 nan 8.270 nan 0.000 0.464 55 L N 4.508 125.835 121.223 0.173 0.000 2.290 55 L HA 0.304 4.644 4.340 -0.000 0.000 0.284 55 L C 0.427 177.377 176.870 0.132 0.000 1.078 55 L CA -0.187 54.757 54.840 0.174 0.000 0.815 55 L CB 1.119 43.300 42.059 0.204 0.000 1.162 55 L HN 0.558 nan 8.230 nan 0.000 0.435 56 K N 3.576 124.045 120.400 0.115 0.000 2.154 56 K HA 0.619 4.939 4.320 -0.000 0.000 0.264 56 K C -0.693 175.934 176.600 0.045 0.000 1.008 56 K CA -0.376 55.950 56.287 0.066 0.000 0.937 56 K CB 1.022 33.551 32.500 0.048 0.000 1.002 56 K HN 0.407 nan 8.250 nan 0.000 0.469 57 L N 1.175 122.361 121.223 -0.062 0.000 2.257 57 L HA 0.484 4.824 4.340 -0.000 0.000 0.257 57 L C -1.070 175.540 176.870 -0.433 0.000 1.033 57 L CA -1.122 53.578 54.840 -0.234 0.000 0.835 57 L CB 1.043 43.098 42.059 -0.007 0.000 1.398 57 L HN 0.541 nan 8.230 nan 0.000 0.429 58 Y N 0.481 120.289 120.300 -0.820 0.000 2.520 58 Y HA 0.294 4.844 4.550 -0.000 0.000 0.339 58 Y C -0.224 175.601 175.900 -0.126 0.000 1.113 58 Y CA -0.415 57.426 58.100 -0.431 0.000 1.255 58 Y CB 1.475 39.522 38.460 -0.689 0.000 1.099 58 Y HN 0.517 nan 8.280 nan 0.000 0.628 59 S N 4.642 120.281 115.700 -0.103 0.000 2.430 59 S HA 0.479 4.949 4.470 -0.000 0.000 0.282 59 S C -0.468 174.082 174.600 -0.083 0.000 1.186 59 S CA -0.249 57.926 58.200 -0.041 0.000 1.060 59 S CB -0.295 62.867 63.200 -0.063 0.000 0.966 59 S HN 0.519 nan 8.310 nan 0.000 0.501 60 L N 4.652 125.833 121.223 -0.070 0.000 2.400 60 L HA 0.684 5.024 4.340 -0.000 0.000 0.264 60 L C 0.817 177.643 176.870 -0.073 0.000 1.061 60 L CA -0.335 54.383 54.840 -0.204 0.000 0.799 60 L CB 0.792 42.497 42.059 -0.590 0.000 1.240 60 L HN 0.491 nan 8.230 nan 0.000 0.461 61 R N 0.774 121.237 120.500 -0.062 0.000 2.985 61 R HA 0.134 4.474 4.340 -0.000 0.000 0.259 61 R C -1.959 174.432 176.300 0.151 0.000 1.815 61 R CA -0.510 55.644 56.100 0.090 0.000 1.278 61 R CB 0.573 30.951 30.300 0.131 0.000 1.403 61 R HN 0.550 nan 8.270 nan 0.000 0.534 62 W N 4.732 126.155 121.300 0.205 0.000 2.489 62 W HA 0.054 4.714 4.660 -0.000 0.000 0.327 62 W C 1.903 178.532 176.519 0.183 0.000 1.436 62 W CA -0.228 57.258 57.345 0.234 0.000 1.315 62 W CB 0.345 29.933 29.460 0.213 0.000 1.373 62 W HN 0.533 nan 8.180 nan 0.000 0.557 63 I N 0.312 121.108 120.570 0.378 0.000 3.462 63 I HA 0.128 4.298 4.170 -0.000 0.000 0.290 63 I C 1.003 177.282 176.117 0.269 0.000 1.236 63 I CA 0.315 61.765 61.300 0.249 0.000 1.418 63 I CB -0.151 37.938 38.000 0.147 0.000 1.102 63 I HN 0.278 nan 8.210 nan 0.000 0.441 64 S N -0.032 115.887 115.700 0.365 0.000 3.144 64 S HA 0.313 4.783 4.470 -0.000 0.000 0.325 64 S C 0.090 174.904 174.600 0.357 0.000 1.161 64 S CA -0.021 58.386 58.200 0.345 0.000 0.920 64 S CB 1.274 64.702 63.200 0.380 0.000 1.340 64 S HN 0.147 nan 8.310 nan 0.000 0.681 65 D N -1.012 119.565 120.400 0.295 0.000 2.349 65 D HA 0.256 4.896 4.640 -0.000 0.000 0.214 65 D C 0.644 176.863 176.300 -0.134 0.000 1.063 65 D CA 0.545 54.519 54.000 -0.044 0.000 0.847 65 D CB 0.021 40.668 40.800 -0.255 0.000 0.933 65 D HN 0.605 nan 8.370 nan 0.000 0.513 66 H N -1.749 117.584 119.070 0.437 0.000 3.583 66 H HA 0.442 4.998 4.556 -0.000 0.000 0.251 66 H C -0.065 175.508 175.328 0.408 0.000 1.060 66 H CA -0.241 56.099 56.048 0.486 0.000 1.159 66 H CB 0.487 30.449 29.762 0.332 0.000 1.496 66 H HN 0.007 nan 8.280 nan 0.000 0.540 67 E N 0.542 121.066 120.200 0.540 0.000 2.320 67 E HA 0.483 4.833 4.350 -0.000 0.000 0.264 67 E C -1.391 175.403 176.600 0.323 0.000 0.923 67 E CA -1.338 55.242 56.400 0.300 0.000 0.796 67 E CB 2.771 32.588 29.700 0.195 0.000 1.262 67 E HN 0.210 nan 8.360 nan 0.000 0.428 68 Y N -1.476 118.841 120.300 0.028 0.000 2.552 68 Y HA 0.529 5.079 4.550 -0.000 0.000 0.337 68 Y C -1.878 173.999 175.900 -0.040 0.000 1.094 68 Y CA -1.324 56.682 58.100 -0.157 0.000 1.028 68 Y CB 0.631 38.634 38.460 -0.762 0.000 1.321 68 Y HN 0.324 nan 8.280 nan 0.000 0.456 69 L N 3.576 124.910 121.223 0.184 0.000 2.307 69 L HA 0.432 4.772 4.340 -0.000 0.000 0.282 69 L C -1.234 175.768 176.870 0.219 0.000 1.051 69 L CA -0.940 53.982 54.840 0.136 0.000 0.804 69 L CB 1.222 43.300 42.059 0.032 0.000 1.197 69 L HN 0.765 nan 8.230 nan 0.000 0.431 70 Y N 3.183 123.495 120.300 0.020 0.000 2.332 70 Y HA 0.264 4.814 4.550 -0.000 0.000 0.326 70 Y C -0.109 175.732 175.900 -0.097 0.000 0.978 70 Y CA -1.094 56.927 58.100 -0.132 0.000 1.205 70 Y CB 1.248 39.497 38.460 -0.351 0.000 1.131 70 Y HN 0.446 nan 8.280 nan 0.000 0.462 71 K N 4.801 124.876 120.400 -0.543 0.000 2.336 71 K HA 0.069 4.389 4.320 -0.000 0.000 0.290 71 K C 0.147 176.397 176.600 -0.582 0.000 1.067 71 K CA 0.180 56.201 56.287 -0.443 0.000 0.962 71 K CB 0.550 32.876 32.500 -0.289 0.000 1.008 71 K HN 0.828 nan 8.250 nan 0.000 0.467 72 Q N 3.376 122.988 119.800 -0.313 0.000 2.242 72 Q HA 0.010 4.350 4.340 -0.000 0.000 0.246 72 Q C -0.480 175.442 176.000 -0.131 0.000 0.883 72 Q CA 0.234 55.921 55.803 -0.193 0.000 0.984 72 Q CB 0.123 28.862 28.738 0.001 0.000 1.096 72 Q HN 0.846 nan 8.270 nan 0.000 0.452 73 E N -1.770 118.333 120.200 -0.163 0.000 4.586 73 E HA -0.359 3.991 4.350 -0.000 0.000 0.271 73 E C 0.351 176.903 176.600 -0.081 0.000 0.767 73 E CA 1.819 58.152 56.400 -0.112 0.000 1.491 73 E CB -0.685 28.962 29.700 -0.088 0.000 1.758 73 E HN 0.474 nan 8.360 nan 0.000 0.398 74 N N -0.854 117.806 118.700 -0.068 0.000 2.272 74 N HA 0.130 4.870 4.740 -0.000 0.000 0.228 74 N C -1.083 174.398 175.510 -0.048 0.000 1.206 74 N CA 0.307 53.328 53.050 -0.050 0.000 0.855 74 N CB 0.728 39.193 38.487 -0.036 0.000 1.248 74 N HN 0.053 nan 8.380 nan 0.000 0.476 75 N N 0.550 119.222 118.700 -0.046 0.000 2.504 75 N HA 0.320 5.060 4.740 -0.000 0.000 0.280 75 N C -1.510 173.981 175.510 -0.032 0.000 1.052 75 N CA -0.318 52.714 53.050 -0.030 0.000 0.887 75 N CB 2.241 40.724 38.487 -0.008 0.000 1.323 75 N HN 0.082 nan 8.380 nan 0.000 0.509 76 I N 3.795 124.335 120.570 -0.050 0.000 2.291 76 I HA 0.320 4.490 4.170 -0.000 0.000 0.292 76 I C -0.836 175.310 176.117 0.048 0.000 1.064 76 I CA -0.744 60.512 61.300 -0.073 0.000 1.269 76 I CB 0.129 37.982 38.000 -0.245 0.000 1.418 76 I HN 0.464 nan 8.210 nan 0.000 0.485 77 L N 6.703 128.003 121.223 0.128 0.000 2.334 77 L HA 0.707 5.047 4.340 -0.000 0.000 0.270 77 L C -0.459 176.557 176.870 0.244 0.000 1.018 77 L CA -0.921 54.029 54.840 0.183 0.000 0.811 77 L CB 1.469 43.619 42.059 0.151 0.000 1.271 77 L HN 0.336 nan 8.230 nan 0.000 0.443 78 V N 1.845 121.868 119.914 0.181 0.000 2.481 78 V HA 0.498 4.618 4.120 -0.000 0.000 0.286 78 V C -0.729 175.374 176.094 0.015 0.000 1.042 78 V CA -0.069 62.314 62.300 0.139 0.000 0.928 78 V CB 1.144 33.084 31.823 0.195 0.000 0.986 78 V HN 0.566 nan 8.190 nan 0.000 0.462 79 F N 4.770 124.468 119.950 -0.420 0.000 2.483 79 F HA 0.513 5.040 4.527 -0.000 0.000 0.329 79 F C 0.491 176.020 175.800 -0.452 0.000 1.064 79 F CA -0.766 56.887 58.000 -0.578 0.000 0.986 79 F CB 1.592 39.864 39.000 -1.213 0.000 1.218 79 F HN 0.526 nan 8.300 nan 0.000 0.484 80 N N 1.563 120.185 118.700 -0.131 0.000 2.621 80 N HA 0.268 5.008 4.740 -0.000 0.000 0.237 80 N C 0.509 175.981 175.510 -0.064 0.000 0.997 80 N CA 0.086 53.116 53.050 -0.034 0.000 0.918 80 N CB 1.521 40.038 38.487 0.050 0.000 1.122 80 N HN 0.746 nan 8.380 nan 0.000 0.510 81 A N 3.240 125.993 122.820 -0.111 0.000 1.940 81 A HA -0.264 4.056 4.320 -0.000 0.000 0.221 81 A C 1.901 179.196 177.584 -0.481 0.000 1.190 81 A CA 2.061 53.924 52.037 -0.290 0.000 0.647 81 A CB -0.504 18.145 19.000 -0.586 0.000 0.821 81 A HN 0.764 nan 8.150 nan 0.000 0.457 82 E N -1.224 118.688 120.200 -0.479 0.000 2.058 82 E HA -0.191 4.159 4.350 -0.000 0.000 0.194 82 E C 1.498 177.712 176.600 -0.643 0.000 0.997 82 E CA 2.173 58.263 56.400 -0.518 0.000 0.801 82 E CB -0.363 29.014 29.700 -0.538 0.000 0.746 82 E HN 0.777 nan 8.360 nan 0.000 0.450 83 Y N -2.814 117.466 120.300 -0.033 0.000 2.609 83 Y HA 0.394 4.944 4.550 -0.000 0.000 0.281 83 Y C 1.574 177.454 175.900 -0.034 0.000 1.132 83 Y CA 0.181 58.264 58.100 -0.028 0.000 1.264 83 Y CB 1.094 39.538 38.460 -0.028 0.000 1.325 83 Y HN 0.162 nan 8.280 nan 0.000 0.514 84 G N 0.211 109.069 108.800 0.097 0.000 2.151 84 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.140 84 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.140 84 G C -0.310 174.557 174.900 -0.054 0.000 1.020 84 G CA -0.413 44.732 45.100 0.076 0.000 0.688 84 G HN 0.207 nan 8.290 nan 0.000 0.500 85 N N 0.272 118.922 118.700 -0.084 0.000 2.178 85 N HA 0.463 5.203 4.740 -0.000 0.000 0.217 85 N C 1.103 176.286 175.510 -0.544 0.000 1.342 85 N CA 1.046 53.970 53.050 -0.209 0.000 0.884 85 N CB 0.540 38.952 38.487 -0.126 0.000 1.105 85 N HN 0.371 nan 8.380 nan 0.000 0.444 86 S N -1.594 113.816 115.700 -0.483 0.000 4.333 86 S HA 0.639 5.109 4.470 -0.000 0.000 0.203 86 S C -1.325 173.067 174.600 -0.346 0.000 1.107 86 S CA 0.131 57.943 58.200 -0.646 0.000 1.753 86 S CB -0.118 62.824 63.200 -0.430 0.000 1.009 86 S HN 0.585 nan 8.310 nan 0.000 0.779 87 S N -0.133 115.443 115.700 -0.208 0.000 2.742 87 S HA -0.075 4.395 4.470 -0.000 0.000 0.854 87 S C -0.939 173.635 174.600 -0.043 0.000 0.769 87 S CA 0.111 58.246 58.200 -0.107 0.000 1.572 87 S CB -1.392 61.755 63.200 -0.089 0.000 1.127 87 S HN 1.221 nan 8.310 nan 0.000 0.384 88 V N 5.343 125.241 119.914 -0.026 0.000 2.585 88 V HA 0.465 4.585 4.120 -0.000 0.000 0.296 88 V C 0.837 176.964 176.094 0.056 0.000 1.035 88 V CA 0.744 63.057 62.300 0.022 0.000 1.084 88 V CB 0.943 32.761 31.823 -0.008 0.000 0.953 88 V HN 0.846 nan 8.190 nan 0.000 0.483 89 F N 6.370 126.301 119.950 -0.031 0.000 2.437 89 F HA 0.467 4.994 4.527 -0.000 0.000 0.288 89 F C 0.253 176.042 175.800 -0.018 0.000 1.085 89 F CA 0.255 58.244 58.000 -0.018 0.000 1.430 89 F CB 0.649 39.649 39.000 -0.000 0.000 1.120 89 F HN 0.426 nan 8.300 nan 0.000 0.556 90 L N 1.704 123.070 121.223 0.238 0.000 2.504 90 L HA 0.291 4.631 4.340 -0.000 0.000 0.265 90 L C -0.431 176.443 176.870 0.007 0.000 0.975 90 L CA -0.591 54.317 54.840 0.113 0.000 0.864 90 L CB 0.958 43.139 42.059 0.202 0.000 1.212 90 L HN 0.295 nan 8.230 nan 0.000 0.416 91 E N 2.127 122.292 120.200 -0.058 0.000 2.391 91 E HA 0.156 4.506 4.350 -0.000 0.000 0.255 91 E C 0.405 176.956 176.600 -0.081 0.000 1.187 91 E CA -0.253 56.108 56.400 -0.065 0.000 0.941 91 E CB 0.600 30.256 29.700 -0.073 0.000 1.010 91 E HN 0.610 nan 8.360 nan 0.000 0.458 92 N N 0.989 119.653 118.700 -0.060 0.000 2.090 92 N HA -0.252 4.488 4.740 -0.000 0.000 0.196 92 N C 0.315 175.785 175.510 -0.066 0.000 1.017 92 N CA 2.425 55.443 53.050 -0.053 0.000 0.890 92 N CB -0.342 38.120 38.487 -0.042 0.000 1.080 92 N HN 0.569 nan 8.380 nan 0.000 0.576 93 S N -1.749 113.905 115.700 -0.076 0.000 3.940 93 S HA 0.295 4.765 4.470 -0.000 0.000 0.210 93 S C 0.154 174.666 174.600 -0.147 0.000 1.419 93 S CA -0.489 57.661 58.200 -0.083 0.000 0.912 93 S CB 0.679 63.843 63.200 -0.060 0.000 1.489 93 S HN 0.322 nan 8.310 nan 0.000 0.469 94 T N 0.387 114.794 114.554 -0.246 0.000 2.969 94 T HA 0.285 4.635 4.350 -0.000 0.000 0.250 94 T C -0.161 174.117 174.700 -0.704 0.000 1.021 94 T CA 0.113 61.911 62.100 -0.503 0.000 1.003 94 T CB -0.122 68.308 68.868 -0.729 0.000 1.040 94 T HN 0.570 nan 8.240 nan 0.000 0.492 95 F N 2.071 121.947 119.950 -0.124 0.000 2.850 95 F HA 0.400 4.927 4.527 -0.000 0.000 0.329 95 F C 0.316 176.109 175.800 -0.012 0.000 1.182 95 F CA -1.602 56.337 58.000 -0.101 0.000 1.270 95 F CB 0.136 38.988 39.000 -0.246 0.000 0.979 95 F HN -0.043 nan 8.300 nan 0.000 0.506 96 D N 0.377 120.836 120.400 0.099 0.000 2.398 96 D HA 0.096 4.736 4.640 -0.000 0.000 0.247 96 D C 0.800 177.163 176.300 0.105 0.000 1.227 96 D CA 0.178 54.226 54.000 0.080 0.000 0.980 96 D CB 0.495 41.306 40.800 0.019 0.000 1.106 96 D HN 0.251 nan 8.370 nan 0.000 0.493 97 E N -1.287 118.949 120.200 0.060 0.000 3.370 97 E HA -0.279 4.071 4.350 -0.000 0.000 0.291 97 E C 0.605 177.221 176.600 0.027 0.000 0.916 97 E CA 0.151 56.565 56.400 0.024 0.000 0.981 97 E CB -1.197 28.511 29.700 0.012 0.000 1.498 97 E HN 0.413 nan 8.360 nan 0.000 0.452 98 F N -0.135 119.772 119.950 -0.072 0.000 2.387 98 F HA 0.146 4.673 4.527 -0.000 0.000 0.294 98 F C 2.041 177.679 175.800 -0.271 0.000 1.093 98 F CA 1.855 59.790 58.000 -0.109 0.000 1.420 98 F CB 0.328 39.283 39.000 -0.074 0.000 1.086 98 F HN 0.153 nan 8.300 nan 0.000 0.531 99 G N -0.717 108.053 108.800 -0.050 0.000 2.284 99 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.261 99 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.261 99 G C 0.231 174.940 174.900 -0.319 0.000 0.997 99 G CA 0.584 45.520 45.100 -0.272 0.000 0.621 99 G HN 0.494 nan 8.290 nan 0.000 0.534 100 H N 0.161 119.371 119.070 0.233 0.000 2.524 100 H HA 0.656 5.212 4.556 -0.000 0.000 0.353 100 H C -0.281 175.033 175.328 -0.023 0.000 1.136 100 H CA 0.005 56.131 56.048 0.130 0.000 1.193 100 H CB 1.734 31.515 29.762 0.033 0.000 1.558 100 H HN 0.173 nan 8.280 nan 0.000 0.515 101 S N 2.922 118.681 115.700 0.099 0.000 2.513 101 S HA 0.245 4.715 4.470 -0.000 0.000 0.276 101 S C 0.140 174.705 174.600 -0.058 0.000 1.254 101 S CA -0.829 57.362 58.200 -0.014 0.000 1.053 101 S CB -0.193 63.016 63.200 0.015 0.000 0.958 101 S HN 0.344 nan 8.310 nan 0.000 0.491 102 I N 6.320 126.788 120.570 -0.171 0.000 2.337 102 I HA 0.162 4.332 4.170 -0.000 0.000 0.291 102 I C 1.537 177.591 176.117 -0.105 0.000 1.046 102 I CA -0.235 60.959 61.300 -0.177 0.000 1.324 102 I CB 0.570 38.392 38.000 -0.298 0.000 1.409 102 I HN 0.813 nan 8.210 nan 0.000 0.494 103 N N 4.475 123.117 118.700 -0.096 0.000 2.376 103 N HA -0.039 4.701 4.740 -0.000 0.000 0.177 103 N C 0.089 175.519 175.510 -0.133 0.000 1.024 103 N CA 0.480 53.443 53.050 -0.146 0.000 0.893 103 N CB 0.811 39.152 38.487 -0.243 0.000 0.980 103 N HN 0.637 nan 8.380 nan 0.000 0.439 104 D N -1.254 119.099 120.400 -0.079 0.000 2.648 104 D HA 0.185 4.825 4.640 -0.000 0.000 0.244 104 D C -1.323 175.026 176.300 0.082 0.000 1.244 104 D CA -0.513 53.483 54.000 -0.006 0.000 0.772 104 D CB 1.458 42.206 40.800 -0.087 0.000 1.379 104 D HN 0.056 nan 8.370 nan 0.000 0.428 105 Y N -0.299 119.995 120.300 -0.011 0.000 2.772 105 Y HA 0.813 5.363 4.550 -0.000 0.000 0.324 105 Y C -0.662 175.310 175.900 0.120 0.000 1.169 105 Y CA -1.231 56.895 58.100 0.042 0.000 1.198 105 Y CB 1.154 39.636 38.460 0.036 0.000 1.402 105 Y HN 0.197 nan 8.280 nan 0.000 0.577 106 S N 0.547 116.351 115.700 0.173 0.000 2.354 106 S HA 0.402 4.872 4.470 -0.000 0.000 0.306 106 S C -1.616 173.240 174.600 0.426 0.000 0.900 106 S CA -0.610 57.685 58.200 0.159 0.000 0.921 106 S CB -0.529 62.813 63.200 0.238 0.000 1.209 106 S HN 0.712 nan 8.310 nan 0.000 0.433 107 I N 4.018 124.743 120.570 0.259 0.000 2.499 107 I HA 0.375 4.545 4.170 -0.000 0.000 0.296 107 I C 1.029 176.960 176.117 -0.311 0.000 0.992 107 I CA -0.622 60.744 61.300 0.110 0.000 1.297 107 I CB 1.775 39.824 38.000 0.081 0.000 1.410 107 I HN 0.727 nan 8.210 nan 0.000 0.507 108 S N 4.301 119.544 115.700 -0.761 0.000 2.576 108 S HA 0.199 4.669 4.470 -0.000 0.000 0.276 108 S C -1.928 172.394 174.600 -0.463 0.000 1.339 108 S CA -1.037 56.398 58.200 -1.275 0.000 1.039 108 S CB 0.950 63.299 63.200 -1.418 0.000 0.902 108 S HN 0.403 nan 8.310 nan 0.000 0.516 109 P HA -0.169 nan 4.420 nan 0.000 0.217 109 P C 0.807 178.075 177.300 -0.054 0.000 1.151 109 P CA 1.569 64.608 63.100 -0.103 0.000 0.849 109 P CB -0.109 31.554 31.700 -0.063 0.000 0.787 110 D N -2.166 118.194 120.400 -0.067 0.000 2.328 110 D HA 0.067 4.707 4.640 -0.000 0.000 0.226 110 D C 1.459 177.740 176.300 -0.032 0.000 1.066 110 D CA 0.594 54.586 54.000 -0.013 0.000 0.861 110 D CB -1.106 39.719 40.800 0.041 0.000 0.912 110 D HN 0.215 nan 8.370 nan 0.000 0.521 111 G N 0.748 109.519 108.800 -0.049 0.000 2.196 111 G HA2 -0.445 3.515 3.960 -0.000 0.000 0.268 111 G HA3 -0.445 3.515 3.960 -0.000 0.000 0.268 111 G C 1.054 175.912 174.900 -0.070 0.000 0.975 111 G CA 0.728 45.837 45.100 0.015 0.000 0.648 111 G HN 0.491 nan 8.290 nan 0.000 0.538 112 Q N -1.361 118.293 119.800 -0.243 0.000 2.297 112 Q HA 0.295 4.635 4.340 -0.000 0.000 0.204 112 Q C 0.485 175.969 176.000 -0.860 0.000 0.962 112 Q CA 0.747 56.199 55.803 -0.586 0.000 0.879 112 Q CB 0.202 28.437 28.738 -0.838 0.000 0.947 112 Q HN 0.603 nan 8.270 nan 0.000 0.462 113 F N -0.766 119.118 119.950 -0.110 0.000 2.640 113 F HA 0.570 5.097 4.527 -0.000 0.000 0.324 113 F C -0.597 175.279 175.800 0.128 0.000 1.077 113 F CA -1.374 56.637 58.000 0.018 0.000 0.965 113 F CB 1.680 40.739 39.000 0.099 0.000 1.351 113 F HN -0.229 nan 8.300 nan 0.000 0.487 114 I N 2.301 123.227 120.570 0.593 0.000 2.586 114 I HA 0.425 4.595 4.170 -0.000 0.000 0.288 114 I C -2.037 174.446 176.117 0.611 0.000 1.147 114 I CA -0.907 60.740 61.300 0.577 0.000 1.047 114 I CB 1.493 39.826 38.000 0.555 0.000 1.244 114 I HN 0.534 nan 8.210 nan 0.000 0.429 115 L N 8.306 129.909 121.223 0.632 0.000 2.281 115 L HA 0.482 4.822 4.340 -0.000 0.000 0.285 115 L C -1.240 175.801 176.870 0.284 0.000 1.074 115 L CA 0.107 55.202 54.840 0.425 0.000 0.817 115 L CB 0.924 43.174 42.059 0.319 0.000 1.168 115 L HN 0.523 nan 8.230 nan 0.000 0.434 116 L N 5.415 126.749 121.223 0.185 0.000 2.265 116 L HA 0.451 4.791 4.340 -0.000 0.000 0.289 116 L C 0.047 176.954 176.870 0.063 0.000 1.033 116 L CA -0.289 54.559 54.840 0.013 0.000 0.814 116 L CB 1.240 43.165 42.059 -0.224 0.000 1.203 116 L HN 0.631 nan 8.230 nan 0.000 0.423 117 E N 4.195 124.372 120.200 -0.039 0.000 2.134 117 E HA 0.395 4.745 4.350 -0.000 0.000 0.278 117 E C -1.567 174.966 176.600 -0.112 0.000 0.959 117 E CA -0.542 55.702 56.400 -0.260 0.000 0.783 117 E CB 0.974 30.545 29.700 -0.216 0.000 1.095 117 E HN 0.437 nan 8.360 nan 0.000 0.399 118 Y N 1.814 121.923 120.300 -0.319 0.000 2.677 118 Y HA 0.465 5.015 4.550 -0.000 0.000 0.334 118 Y C 0.026 175.843 175.900 -0.138 0.000 1.154 118 Y CA -1.588 56.405 58.100 -0.177 0.000 1.070 118 Y CB 0.719 39.114 38.460 -0.107 0.000 1.294 118 Y HN 0.510 nan 8.280 nan 0.000 0.475 119 N N -0.417 118.323 118.700 0.066 0.000 2.776 119 N HA -0.290 4.450 4.740 -0.000 0.000 0.249 119 N C -0.858 174.642 175.510 -0.017 0.000 1.111 119 N CA 0.927 53.973 53.050 -0.007 0.000 0.711 119 N CB -1.517 36.879 38.487 -0.152 0.000 1.065 119 N HN 0.888 nan 8.380 nan 0.000 0.556 120 Y N 0.590 120.824 120.300 -0.111 0.000 2.810 120 Y HA 0.151 4.701 4.550 -0.000 0.000 0.332 120 Y C 0.177 176.042 175.900 -0.058 0.000 1.243 120 Y CA 0.470 58.501 58.100 -0.116 0.000 1.537 120 Y CB 0.607 38.953 38.460 -0.191 0.000 1.265 120 Y HN -0.012 nan 8.280 nan 0.000 0.572 121 V N 8.158 127.700 119.914 -0.620 0.000 2.501 121 V HA 0.154 4.274 4.120 -0.000 0.000 0.277 121 V C -0.221 175.508 176.094 -0.609 0.000 1.004 121 V CA -1.421 60.585 62.300 -0.490 0.000 0.862 121 V CB 1.121 32.809 31.823 -0.225 0.000 1.035 121 V HN 0.783 nan 8.190 nan 0.000 0.448 122 K N 3.312 123.292 120.400 -0.700 0.000 2.440 122 K HA 0.126 4.446 4.320 -0.000 0.000 0.270 122 K C 0.392 176.825 176.600 -0.279 0.000 0.980 122 K CA 0.610 56.665 56.287 -0.387 0.000 0.953 122 K CB 1.097 33.534 32.500 -0.105 0.000 0.925 122 K HN 0.789 nan 8.250 nan 0.000 0.497 123 Q N 2.203 121.833 119.800 -0.283 0.000 2.282 123 Q HA 0.210 4.550 4.340 -0.000 0.000 0.193 123 Q C -0.262 175.531 176.000 -0.346 0.000 0.742 123 Q CA -0.519 54.912 55.803 -0.619 0.000 0.560 123 Q CB 0.252 28.450 28.738 -0.901 0.000 2.766 123 Q HN 0.717 nan 8.270 nan 0.000 0.318 124 W N 0.333 121.640 121.300 0.011 0.000 2.119 124 W HA 0.346 5.006 4.660 -0.000 0.000 0.530 124 W C 1.538 178.050 176.519 -0.011 0.000 1.988 124 W CA -0.598 56.775 57.345 0.047 0.000 2.234 124 W CB 0.045 29.494 29.460 -0.019 0.000 2.045 124 W HN 0.403 nan 8.180 nan 0.000 0.754 125 R N -0.326 120.291 120.500 0.195 0.000 2.117 125 R HA -0.209 4.130 4.340 -0.000 0.000 0.243 125 R C 1.286 177.408 176.300 -0.296 0.000 1.143 125 R CA 2.459 58.489 56.100 -0.118 0.000 0.968 125 R CB -0.439 29.669 30.300 -0.320 0.000 0.863 125 R HN 0.601 nan 8.270 nan 0.000 0.444 126 H N -1.680 117.492 119.070 0.169 0.000 2.926 126 H HA 0.260 4.816 4.556 -0.000 0.000 0.249 126 H C 0.364 175.801 175.328 0.181 0.000 0.963 126 H CA 0.219 56.389 56.048 0.203 0.000 1.158 126 H CB 0.451 30.320 29.762 0.178 0.000 1.445 126 H HN 0.183 nan 8.280 nan 0.000 0.452 127 S N 1.013 116.710 115.700 -0.005 0.000 2.584 127 S HA 0.294 4.764 4.470 -0.000 0.000 0.270 127 S C -0.482 173.980 174.600 -0.229 0.000 1.346 127 S CA -0.375 57.480 58.200 -0.576 0.000 1.018 127 S CB 0.526 62.892 63.200 -1.389 0.000 0.899 127 S HN 0.459 nan 8.310 nan 0.000 0.542 128 Y N -2.871 117.248 120.300 -0.302 0.000 2.732 128 Y HA 0.652 5.202 4.550 -0.000 0.000 0.342 128 Y C -0.724 175.097 175.900 -0.132 0.000 1.203 128 Y CA -0.980 56.962 58.100 -0.263 0.000 1.092 128 Y CB 0.768 39.094 38.460 -0.223 0.000 1.345 128 Y HN 0.763 nan 8.280 nan 0.000 0.458 129 T N 1.061 115.633 114.554 0.029 0.000 2.940 129 T HA 0.958 5.308 4.350 -0.000 0.000 0.288 129 T C -0.764 174.025 174.700 0.148 0.000 1.033 129 T CA 0.234 62.374 62.100 0.067 0.000 1.033 129 T CB 1.058 69.911 68.868 -0.026 0.000 1.079 129 T HN 1.709 nan 8.240 nan 0.000 0.496 130 A N 1.651 124.551 122.820 0.133 0.000 2.540 130 A HA 0.691 5.011 4.320 -0.000 0.000 0.291 130 A C -0.937 176.519 177.584 -0.213 0.000 1.083 130 A CA -0.772 51.225 52.037 -0.066 0.000 0.650 130 A CB 0.972 19.925 19.000 -0.078 0.000 1.292 130 A HN 0.761 nan 8.150 nan 0.000 0.435 131 S N -0.652 114.678 115.700 -0.616 0.000 2.593 131 S HA 0.850 5.320 4.470 -0.000 0.000 0.297 131 S C -1.476 172.553 174.600 -0.952 0.000 1.112 131 S CA -0.162 57.606 58.200 -0.719 0.000 1.043 131 S CB 0.810 63.331 63.200 -1.132 0.000 1.054 131 S HN 0.481 nan 8.310 nan 0.000 0.516 132 Y N -0.057 119.999 120.300 -0.407 0.000 2.553 132 Y HA 0.563 5.113 4.550 -0.000 0.000 0.347 132 Y C -0.294 175.642 175.900 0.061 0.000 1.019 132 Y CA -0.981 57.034 58.100 -0.141 0.000 1.032 132 Y CB 1.743 40.090 38.460 -0.188 0.000 1.284 132 Y HN 0.500 nan 8.280 nan 0.000 0.466 133 D N 1.822 122.431 120.400 0.348 0.000 2.857 133 D HA 0.495 5.135 4.640 -0.000 0.000 0.227 133 D C -1.166 175.291 176.300 0.261 0.000 1.192 133 D CA -0.325 53.856 54.000 0.301 0.000 0.857 133 D CB 2.753 43.806 40.800 0.422 0.000 1.645 133 D HN 0.417 nan 8.370 nan 0.000 0.482 134 I N 2.215 122.920 120.570 0.226 0.000 2.339 134 I HA 0.202 4.372 4.170 -0.000 0.000 0.290 134 I C -0.761 175.599 176.117 0.405 0.000 0.994 134 I CA -0.901 60.571 61.300 0.287 0.000 1.191 134 I CB 1.168 39.264 38.000 0.160 0.000 1.343 134 I HN 0.233 nan 8.210 nan 0.000 0.458 135 Y N 6.209 126.724 120.300 0.358 0.000 2.335 135 Y HA 0.275 4.825 4.550 -0.000 0.000 0.339 135 Y C -0.050 176.117 175.900 0.446 0.000 0.987 135 Y CA -0.810 57.526 58.100 0.393 0.000 1.140 135 Y CB 0.783 39.530 38.460 0.478 0.000 1.173 135 Y HN 0.494 nan 8.280 nan 0.000 0.486 136 D N 5.979 126.364 120.400 -0.024 0.000 2.312 136 D HA 0.106 4.746 4.640 -0.000 0.000 0.252 136 D C 0.514 176.493 176.300 -0.535 0.000 1.150 136 D CA 0.231 54.206 54.000 -0.041 0.000 0.870 136 D CB 1.140 41.987 40.800 0.078 0.000 1.153 136 D HN 0.855 nan 8.370 nan 0.000 0.457 137 L N 3.389 124.352 121.223 -0.433 0.000 2.298 137 L HA 0.013 4.353 4.340 -0.000 0.000 0.209 137 L C 1.846 178.524 176.870 -0.320 0.000 1.084 137 L CA 0.026 54.646 54.840 -0.365 0.000 0.816 137 L CB -0.231 41.697 42.059 -0.218 0.000 0.967 137 L HN 0.362 nan 8.230 nan 0.000 0.460 138 N N 1.964 120.447 118.700 -0.362 0.000 2.651 138 N HA -0.140 4.600 4.740 -0.000 0.000 0.193 138 N C 0.648 176.047 175.510 -0.185 0.000 1.149 138 N CA 0.987 53.877 53.050 -0.268 0.000 0.933 138 N CB 0.024 38.337 38.487 -0.291 0.000 0.974 138 N HN 0.575 nan 8.380 nan 0.000 0.448 139 K N -1.120 119.164 120.400 -0.193 0.000 2.887 139 K HA 0.193 4.513 4.320 -0.000 0.000 0.165 139 K C -0.339 176.182 176.600 -0.131 0.000 1.121 139 K CA -0.465 55.745 56.287 -0.128 0.000 1.128 139 K CB 0.381 32.832 32.500 -0.081 0.000 0.763 139 K HN -0.298 nan 8.250 nan 0.000 0.422 140 R N 0.823 121.199 120.500 -0.207 0.000 3.782 140 R HA -0.198 4.142 4.340 -0.000 0.000 0.276 140 R C -0.369 175.897 176.300 -0.057 0.000 1.178 140 R CA 1.182 57.189 56.100 -0.155 0.000 0.783 140 R CB -2.340 27.971 30.300 0.019 0.000 1.146 140 R HN 0.614 nan 8.270 nan 0.000 0.507 141 Q N 0.106 119.813 119.800 -0.155 0.000 2.205 141 Q HA 0.445 4.785 4.340 -0.000 0.000 0.249 141 Q C -0.055 176.032 176.000 0.145 0.000 0.948 141 Q CA -1.054 54.781 55.803 0.053 0.000 0.895 141 Q CB 1.398 30.156 28.738 0.033 0.000 1.249 141 Q HN 0.064 nan 8.270 nan 0.000 0.458 142 L N 2.399 123.827 121.223 0.341 0.000 2.280 142 L HA 0.379 4.719 4.340 -0.000 0.000 0.287 142 L C -0.635 176.378 176.870 0.239 0.000 1.023 142 L CA -0.133 54.975 54.840 0.446 0.000 0.819 142 L CB 0.620 42.938 42.059 0.432 0.000 1.212 142 L HN 0.505 nan 8.230 nan 0.000 0.420 143 I N 4.658 125.359 120.570 0.219 0.000 2.668 143 I HA 0.058 4.228 4.170 -0.000 0.000 0.285 143 I C 1.082 177.255 176.117 0.093 0.000 1.168 143 I CA 0.586 61.965 61.300 0.131 0.000 1.424 143 I CB 0.624 38.689 38.000 0.108 0.000 1.377 143 I HN 0.830 nan 8.210 nan 0.000 0.560 144 T N 0.826 115.413 114.554 0.056 0.000 3.003 144 T HA 0.198 4.548 4.350 -0.000 0.000 0.261 144 T C 0.479 175.181 174.700 0.003 0.000 1.003 144 T CA -0.415 61.701 62.100 0.027 0.000 0.917 144 T CB 0.162 69.043 68.868 0.021 0.000 1.084 144 T HN 0.511 nan 8.240 nan 0.000 0.522 145 E N 2.489 122.692 120.200 0.003 0.000 2.283 145 E HA 0.198 4.548 4.350 -0.000 0.000 0.278 145 E C -0.307 176.272 176.600 -0.035 0.000 1.027 145 E CA -0.497 55.895 56.400 -0.014 0.000 0.843 145 E CB 0.584 30.282 29.700 -0.004 0.000 1.062 145 E HN 0.255 nan 8.360 nan 0.000 0.401 146 E N 1.755 121.922 120.200 -0.054 0.000 2.199 146 E HA -0.250 4.100 4.350 -0.000 0.000 0.208 146 E C -0.256 176.278 176.600 -0.110 0.000 1.310 146 E CA 0.823 57.173 56.400 -0.084 0.000 0.709 146 E CB -1.316 28.341 29.700 -0.072 0.000 1.127 146 E HN 0.488 nan 8.360 nan 0.000 0.354 147 R N -0.135 120.299 120.500 -0.110 0.000 2.863 147 R HA 0.277 4.617 4.340 -0.000 0.000 0.273 147 R C 1.277 177.430 176.300 -0.245 0.000 1.057 147 R CA -0.209 55.814 56.100 -0.128 0.000 1.191 147 R CB 0.386 30.637 30.300 -0.082 0.000 1.104 147 R HN 0.128 nan 8.270 nan 0.000 0.519 148 I N 2.191 122.576 120.570 -0.308 0.000 2.474 148 I HA 0.117 4.287 4.170 -0.000 0.000 0.287 148 I C -1.758 174.069 176.117 -0.483 0.000 1.048 148 I CA -2.120 58.838 61.300 -0.571 0.000 1.383 148 I CB 0.765 38.358 38.000 -0.678 0.000 1.412 148 I HN 0.230 nan 8.210 nan 0.000 0.531 149 P HA -0.026 nan 4.420 nan 0.000 0.269 149 P C -0.756 176.356 177.300 -0.312 0.000 1.211 149 P CA -0.005 62.725 63.100 -0.617 0.000 0.781 149 P CB 0.338 31.248 31.700 -1.316 0.000 0.877 150 N N 2.368 120.974 118.700 -0.156 0.000 2.483 150 N HA 0.081 4.821 4.740 -0.000 0.000 0.269 150 N C 0.388 175.979 175.510 0.135 0.000 1.209 150 N CA 0.018 53.046 53.050 -0.037 0.000 0.969 150 N CB 0.007 38.476 38.487 -0.029 0.000 1.173 150 N HN 0.403 nan 8.380 nan 0.000 0.475 151 N N -0.839 117.925 118.700 0.105 0.000 2.829 151 N HA -0.146 4.594 4.740 -0.000 0.000 0.250 151 N C -0.848 174.818 175.510 0.261 0.000 1.090 151 N CA 0.702 53.845 53.050 0.155 0.000 0.781 151 N CB -1.614 36.972 38.487 0.164 0.000 1.124 151 N HN 0.488 nan 8.380 nan 0.000 0.559 152 T N 1.238 115.953 114.554 0.268 0.000 2.817 152 T HA 0.049 4.399 4.350 -0.000 0.000 0.295 152 T C 1.707 176.557 174.700 0.251 0.000 0.958 152 T CA 0.197 62.467 62.100 0.283 0.000 1.157 152 T CB 0.817 69.703 68.868 0.030 0.000 0.898 152 T HN 0.160 nan 8.240 nan 0.000 0.536 153 Q N 2.178 122.136 119.800 0.263 0.000 2.297 153 Q HA 0.082 4.422 4.340 -0.000 0.000 0.204 153 Q C 0.246 176.508 176.000 0.437 0.000 0.962 153 Q CA 0.609 56.595 55.803 0.305 0.000 0.879 153 Q CB 0.506 29.434 28.738 0.316 0.000 0.947 153 Q HN 0.721 nan 8.270 nan 0.000 0.462 154 W N -0.598 120.730 121.300 0.047 0.000 3.700 154 W HA 0.378 5.038 4.660 -0.000 0.000 0.279 154 W C -2.442 174.006 176.519 -0.119 0.000 1.270 154 W CA -0.585 56.735 57.345 -0.041 0.000 1.216 154 W CB 0.823 30.237 29.460 -0.076 0.000 1.292 154 W HN -0.374 nan 8.180 nan 0.000 0.557 155 V N 3.398 122.664 119.914 -1.081 0.000 2.841 155 V HA 0.754 4.874 4.120 -0.000 0.000 0.310 155 V C -0.114 175.449 176.094 -0.885 0.000 1.090 155 V CA -0.613 61.185 62.300 -0.837 0.000 0.930 155 V CB 1.946 33.209 31.823 -0.933 0.000 1.014 155 V HN 0.547 nan 8.190 nan 0.000 0.425 156 T N -0.620 113.705 114.554 -0.381 0.000 2.982 156 T HA 0.600 4.950 4.350 -0.000 0.000 0.321 156 T C -1.284 173.478 174.700 0.102 0.000 1.229 156 T CA -0.608 61.441 62.100 -0.085 0.000 1.044 156 T CB 1.202 70.221 68.868 0.253 0.000 1.184 156 T HN 0.485 nan 8.240 nan 0.000 0.477 157 W N 2.069 123.431 121.300 0.104 0.000 2.253 157 W HA 0.542 5.202 4.660 0.000 0.000 0.348 157 W C 1.059 177.448 176.519 -0.216 0.000 1.229 157 W CA -0.541 56.809 57.345 0.009 0.000 1.335 157 W CB 0.975 30.434 29.460 -0.001 0.000 1.165 157 W HN 0.926 nan 8.180 nan 0.000 0.631 158 S N 1.862 117.325 115.700 -0.396 0.000 2.593 158 S HA 0.112 4.582 4.470 -0.000 0.000 0.269 158 S C -1.477 172.897 174.600 -0.377 0.000 1.334 158 S CA -1.012 56.465 58.200 -1.206 0.000 1.015 158 S CB 0.901 63.279 63.200 -1.369 0.000 0.912 158 S HN 0.409 nan 8.310 nan 0.000 0.541 159 P HA 0.094 nan 4.420 nan 0.000 0.239 159 P C -0.334 176.927 177.300 -0.065 0.000 1.184 159 P CA 0.460 63.529 63.100 -0.052 0.000 0.760 159 P CB 0.002 31.712 31.700 0.018 0.000 0.884 160 V N -1.217 118.613 119.914 -0.140 0.000 2.817 160 V HA 0.583 4.703 4.120 -0.000 0.000 0.303 160 V C 0.513 176.530 176.094 -0.128 0.000 1.151 160 V CA 0.143 62.383 62.300 -0.099 0.000 0.929 160 V CB 1.314 33.089 31.823 -0.080 0.000 1.030 160 V HN 0.444 nan 8.190 nan 0.000 0.427 161 G N 3.912 112.673 108.800 -0.065 0.000 2.488 161 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.237 161 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.237 161 G C 0.045 174.967 174.900 0.036 0.000 1.209 161 G CA 0.433 45.517 45.100 -0.026 0.000 0.929 161 G HN 1.826 nan 8.290 nan 0.000 0.578 162 H N 0.069 119.160 119.070 0.035 0.000 2.767 162 H HA 0.466 5.022 4.556 -0.000 0.000 0.235 162 H C 0.308 175.815 175.328 0.299 0.000 1.256 162 H CA -0.108 56.039 56.048 0.165 0.000 0.957 162 H CB -0.166 29.789 29.762 0.322 0.000 2.117 162 H HN 0.512 nan 8.280 nan 0.000 0.602 163 K N 1.463 121.876 120.400 0.022 0.000 2.202 163 K HA 0.489 4.809 4.320 -0.000 0.000 0.264 163 K C -0.362 176.340 176.600 0.169 0.000 1.010 163 K CA -0.419 55.868 56.287 -0.001 0.000 0.940 163 K CB 1.643 33.963 32.500 -0.299 0.000 0.983 163 K HN 0.145 nan 8.250 nan 0.000 0.475 164 L N 0.973 122.341 121.223 0.241 0.000 2.370 164 L HA 0.618 4.958 4.340 -0.000 0.000 0.266 164 L C -1.044 176.058 176.870 0.387 0.000 1.002 164 L CA -0.873 54.089 54.840 0.203 0.000 0.818 164 L CB 2.158 44.184 42.059 -0.055 0.000 1.325 164 L HN 0.710 nan 8.230 nan 0.000 0.418 165 A N 2.673 125.685 122.820 0.320 0.000 2.414 165 A HA 0.699 5.019 4.320 -0.000 0.000 0.286 165 A C -1.556 176.050 177.584 0.036 0.000 1.073 165 A CA -0.380 51.713 52.037 0.094 0.000 0.727 165 A CB 0.842 19.782 19.000 -0.100 0.000 1.215 165 A HN 0.620 nan 8.150 nan 0.000 0.430 166 Y N -0.018 120.247 120.300 -0.058 0.000 2.605 166 Y HA 0.836 5.386 4.550 -0.000 0.000 0.343 166 Y C -0.931 175.000 175.900 0.051 0.000 1.036 166 Y CA -1.727 56.327 58.100 -0.078 0.000 1.065 166 Y CB 1.303 39.636 38.460 -0.212 0.000 1.288 166 Y HN 0.314 nan 8.280 nan 0.000 0.481 167 V N 2.034 122.104 119.914 0.261 0.000 2.459 167 V HA 0.324 4.444 4.120 -0.000 0.000 0.295 167 V C -1.452 174.881 176.094 0.397 0.000 1.029 167 V CA -0.605 61.832 62.300 0.229 0.000 0.874 167 V CB 1.238 33.133 31.823 0.120 0.000 0.985 167 V HN 0.868 nan 8.190 nan 0.000 0.438 168 W N 5.064 126.473 121.300 0.182 0.000 3.042 168 W HA 0.461 5.121 4.660 -0.000 0.000 0.337 168 W C 0.249 176.827 176.519 0.098 0.000 1.086 168 W CA -0.763 56.646 57.345 0.107 0.000 1.236 168 W CB 1.187 30.642 29.460 -0.007 0.000 1.381 168 W HN 0.788 nan 8.180 nan 0.000 0.472 169 N N 5.728 124.069 118.700 -0.599 0.000 2.738 169 N HA -0.337 4.403 4.740 -0.000 0.000 0.249 169 N C 0.140 175.498 175.510 -0.252 0.000 1.047 169 N CA 0.964 53.659 53.050 -0.593 0.000 0.707 169 N CB -1.065 36.844 38.487 -0.964 0.000 0.937 169 N HN 0.853 nan 8.380 nan 0.000 0.545 170 N N -1.669 116.953 118.700 -0.131 0.000 2.732 170 N HA -0.186 4.554 4.740 -0.000 0.000 0.250 170 N C -1.203 174.257 175.510 -0.083 0.000 1.097 170 N CA 1.163 54.166 53.050 -0.078 0.000 0.812 170 N CB -0.383 38.010 38.487 -0.156 0.000 1.148 170 N HN 0.485 nan 8.380 nan 0.000 0.572 171 D N 0.499 120.863 120.400 -0.060 0.000 2.340 171 D HA 0.463 5.103 4.640 -0.000 0.000 0.240 171 D C 0.267 176.439 176.300 -0.213 0.000 1.001 171 D CA -0.412 53.474 54.000 -0.189 0.000 0.888 171 D CB 1.717 42.358 40.800 -0.265 0.000 1.310 171 D HN 0.012 nan 8.370 nan 0.000 0.474 172 I N 1.703 121.973 120.570 -0.500 0.000 2.428 172 I HA 0.204 4.374 4.170 -0.000 0.000 0.289 172 I C -0.666 174.983 176.117 -0.781 0.000 1.019 172 I CA -0.352 60.630 61.300 -0.531 0.000 1.351 172 I CB 0.538 38.124 38.000 -0.689 0.000 1.412 172 I HN 0.177 nan 8.210 nan 0.000 0.513 173 Y N 4.010 123.923 120.300 -0.646 0.000 2.512 173 Y HA 0.625 5.175 4.550 -0.000 0.000 0.348 173 Y C -0.326 175.207 175.900 -0.610 0.000 0.990 173 Y CA -0.854 56.809 58.100 -0.728 0.000 1.033 173 Y CB 2.124 39.881 38.460 -1.171 0.000 1.259 173 Y HN 0.107 nan 8.280 nan 0.000 0.461 174 V N 3.269 123.088 119.914 -0.159 0.000 2.709 174 V HA 0.472 4.592 4.120 -0.000 0.000 0.308 174 V C -0.836 175.377 176.094 0.199 0.000 1.062 174 V CA -1.285 61.028 62.300 0.023 0.000 0.901 174 V CB 2.046 33.887 31.823 0.030 0.000 1.003 174 V HN 0.562 nan 8.190 nan 0.000 0.425 175 K N 4.209 124.746 120.400 0.227 0.000 2.323 175 K HA 0.523 4.843 4.320 -0.000 0.000 0.259 175 K C 0.132 176.866 176.600 0.223 0.000 0.947 175 K CA -0.654 55.765 56.287 0.219 0.000 0.819 175 K CB 2.341 34.934 32.500 0.154 0.000 1.109 175 K HN 0.373 nan 8.250 nan 0.000 0.429 176 I N 0.701 121.411 120.570 0.234 0.000 2.494 176 I HA -0.018 4.152 4.170 -0.000 0.000 0.250 176 I C 0.387 176.583 176.117 0.131 0.000 1.112 176 I CA 1.229 62.629 61.300 0.167 0.000 1.438 176 I CB 0.014 38.128 38.000 0.189 0.000 1.111 176 I HN 0.424 nan 8.210 nan 0.000 0.431 177 E N 0.520 120.809 120.200 0.148 0.000 2.199 177 E HA 0.273 4.623 4.350 -0.000 0.000 0.265 177 E C -1.883 174.746 176.600 0.049 0.000 0.882 177 E CA -2.064 54.428 56.400 0.155 0.000 0.759 177 E CB 1.805 31.595 29.700 0.150 0.000 1.148 177 E HN -0.108 nan 8.360 nan 0.000 0.412 178 P HA -0.218 nan 4.420 nan 0.000 0.217 178 P C 0.875 178.118 177.300 -0.095 0.000 1.148 178 P CA 1.431 64.431 63.100 -0.166 0.000 0.834 178 P CB 0.328 31.729 31.700 -0.499 0.000 0.783 179 N N -1.432 117.235 118.700 -0.055 0.000 2.356 179 N HA -0.005 4.735 4.740 -0.000 0.000 0.178 179 N C 0.501 176.005 175.510 -0.011 0.000 1.075 179 N CA 0.243 53.282 53.050 -0.018 0.000 0.889 179 N CB -0.351 38.145 38.487 0.015 0.000 0.999 179 N HN 0.177 nan 8.380 nan 0.000 0.464 180 L N 2.035 123.259 121.223 0.001 0.000 2.439 180 L HA 0.355 4.695 4.340 -0.000 0.000 0.261 180 L C -1.998 174.847 176.870 -0.041 0.000 1.153 180 L CA -1.895 52.941 54.840 -0.007 0.000 0.808 180 L CB 0.601 42.674 42.059 0.024 0.000 1.126 180 L HN -0.079 nan 8.230 nan 0.000 0.460 181 P HA 0.042 nan 4.420 nan 0.000 0.268 181 P C -0.656 176.532 177.300 -0.186 0.000 1.205 181 P CA -0.287 62.738 63.100 -0.125 0.000 0.771 181 P CB 0.845 32.458 31.700 -0.145 0.000 0.858 182 S N 2.611 118.256 115.700 -0.093 0.000 2.634 182 S HA 0.362 4.832 4.470 -0.000 0.000 0.261 182 S C -0.459 174.059 174.600 -0.137 0.000 1.271 182 S CA -0.290 57.895 58.200 -0.025 0.000 0.985 182 S CB -0.005 63.281 63.200 0.143 0.000 0.968 182 S HN 0.369 nan 8.310 nan 0.000 0.568 183 Y N -0.291 120.028 120.300 0.031 0.000 2.364 183 Y HA 0.485 5.035 4.550 -0.000 0.000 0.340 183 Y C 0.706 176.504 175.900 -0.170 0.000 0.975 183 Y CA -0.855 57.237 58.100 -0.013 0.000 1.089 183 Y CB 1.181 39.639 38.460 -0.003 0.000 1.192 183 Y HN 0.560 nan 8.280 nan 0.000 0.454 184 R N 4.628 125.035 120.500 -0.155 0.000 2.390 184 R HA 0.271 4.611 4.340 -0.000 0.000 0.291 184 R C 0.476 176.349 176.300 -0.712 0.000 1.070 184 R CA 0.031 55.657 56.100 -0.789 0.000 1.014 184 R CB 0.504 30.156 30.300 -1.080 0.000 1.007 184 R HN 0.933 nan 8.270 nan 0.000 0.466 185 I N -0.519 119.574 120.570 -0.795 0.000 4.288 185 I HA 0.153 4.323 4.170 -0.000 0.000 0.331 185 I C 0.144 176.001 176.117 -0.433 0.000 1.322 185 I CA -0.090 60.942 61.300 -0.447 0.000 1.149 185 I CB 0.082 37.867 38.000 -0.359 0.000 1.112 185 I HN 0.436 nan 8.210 nan 0.000 0.403 186 T N -3.666 110.441 114.554 -0.744 0.000 2.900 186 T HA 0.466 4.816 4.350 -0.000 0.000 0.295 186 T C -0.517 173.867 174.700 -0.526 0.000 1.044 186 T CA -0.462 61.380 62.100 -0.431 0.000 0.995 186 T CB 2.053 70.661 68.868 -0.433 0.000 1.072 186 T HN 0.309 nan 8.240 nan 0.000 0.473 187 W N 1.045 122.238 121.300 -0.178 0.000 2.534 187 W HA 0.111 4.771 4.660 -0.000 0.000 0.339 187 W C 1.508 177.974 176.519 -0.088 0.000 0.961 187 W CA 0.107 57.383 57.345 -0.115 0.000 1.545 187 W CB 0.615 30.025 29.460 -0.084 0.000 1.104 187 W HN 0.936 nan 8.180 nan 0.000 0.538 188 T N -2.077 112.521 114.554 0.074 0.000 3.144 188 T HA 0.199 4.549 4.350 -0.000 0.000 0.249 188 T C 1.086 175.774 174.700 -0.020 0.000 1.089 188 T CA 0.114 62.234 62.100 0.033 0.000 0.989 188 T CB 0.028 68.912 68.868 0.026 0.000 0.992 188 T HN -0.040 nan 8.240 nan 0.000 0.540 189 G N 1.196 109.958 108.800 -0.063 0.000 2.305 189 G HA2 0.382 4.342 3.960 -0.000 0.000 0.243 189 G HA3 0.382 4.342 3.960 -0.000 0.000 0.243 189 G C -0.644 174.190 174.900 -0.110 0.000 1.288 189 G CA -0.459 44.580 45.100 -0.102 0.000 0.901 189 G HN 0.535 nan 8.290 nan 0.000 0.516 190 K N 2.008 122.316 120.400 -0.153 0.000 2.565 190 K HA 0.156 4.476 4.320 -0.000 0.000 0.251 190 K C -0.336 176.125 176.600 -0.232 0.000 0.956 190 K CA -0.651 55.544 56.287 -0.152 0.000 0.809 190 K CB 1.894 34.336 32.500 -0.096 0.000 1.267 190 K HN 0.610 nan 8.250 nan 0.000 0.438 191 E N 2.609 122.687 120.200 -0.204 0.000 2.608 191 E HA -0.134 4.216 4.350 -0.000 0.000 0.259 191 E C -0.480 175.996 176.600 -0.206 0.000 0.951 191 E CA 0.958 57.230 56.400 -0.213 0.000 0.945 191 E CB 0.274 29.889 29.700 -0.141 0.000 0.916 191 E HN 0.582 nan 8.360 nan 0.000 0.477 192 D N 2.585 122.832 120.400 -0.255 0.000 3.018 192 D HA -0.245 4.395 4.640 -0.000 0.000 0.224 192 D C 0.500 176.751 176.300 -0.082 0.000 1.185 192 D CA 1.004 54.947 54.000 -0.094 0.000 0.858 192 D CB -0.364 40.451 40.800 0.024 0.000 1.112 192 D HN 0.381 nan 8.370 nan 0.000 0.415 193 I N -1.299 119.130 120.570 -0.236 0.000 3.746 193 I HA 0.101 4.271 4.170 -0.000 0.000 0.262 193 I C 0.664 176.759 176.117 -0.037 0.000 1.153 193 I CA 0.443 61.703 61.300 -0.067 0.000 1.395 193 I CB 0.271 38.241 38.000 -0.049 0.000 1.589 193 I HN -0.129 nan 8.210 nan 0.000 0.441 194 I N 1.951 122.425 120.570 -0.161 0.000 2.439 194 I HA 0.284 4.454 4.170 -0.000 0.000 0.285 194 I C -1.272 174.790 176.117 -0.091 0.000 1.021 194 I CA -0.617 60.671 61.300 -0.020 0.000 1.091 194 I CB 1.045 39.045 38.000 -0.000 0.000 1.242 194 I HN -0.002 nan 8.210 nan 0.000 0.439 195 Y N 4.824 125.188 120.300 0.106 0.000 2.331 195 Y HA 0.442 4.992 4.550 -0.000 0.000 0.338 195 Y C 0.486 176.429 175.900 0.071 0.000 0.992 195 Y CA -0.743 57.419 58.100 0.103 0.000 1.121 195 Y CB 1.154 39.724 38.460 0.183 0.000 1.184 195 Y HN 0.398 nan 8.280 nan 0.000 0.469 196 N N 1.938 120.708 118.700 0.116 0.000 2.407 196 N HA 0.372 5.112 4.740 -0.000 0.000 0.277 196 N C 0.712 176.169 175.510 -0.089 0.000 0.995 196 N CA 0.295 53.342 53.050 -0.005 0.000 0.903 196 N CB 1.930 40.323 38.487 -0.157 0.000 1.218 196 N HN 0.959 nan 8.380 nan 0.000 0.487 197 G N 1.448 110.210 108.800 -0.064 0.000 2.179 197 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.260 197 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.260 197 G C 0.092 174.835 174.900 -0.262 0.000 0.977 197 G CA 0.733 45.725 45.100 -0.179 0.000 0.641 197 G HN 0.661 nan 8.290 nan 0.000 0.533 198 I N -2.062 118.406 120.570 -0.170 0.000 2.994 198 I HA 0.820 4.990 4.170 -0.000 0.000 0.306 198 I C 0.274 176.309 176.117 -0.137 0.000 1.195 198 I CA -0.666 60.380 61.300 -0.424 0.000 1.001 198 I CB 1.888 39.527 38.000 -0.602 0.000 1.244 198 I HN 0.206 nan 8.210 nan 0.000 0.437 199 T N -0.822 113.537 114.554 -0.325 0.000 2.881 199 T HA 0.410 4.760 4.350 -0.000 0.000 0.278 199 T C -0.205 174.156 174.700 -0.565 0.000 0.982 199 T CA -0.561 61.247 62.100 -0.488 0.000 0.989 199 T CB 1.397 70.013 68.868 -0.421 0.000 1.058 199 T HN 0.791 nan 8.240 nan 0.000 0.529 200 D N -0.347 119.519 120.400 -0.889 0.000 2.511 200 D HA 0.063 4.703 4.640 -0.000 0.000 0.276 200 D C 0.938 177.093 176.300 -0.242 0.000 1.220 200 D CA -1.069 52.427 54.000 -0.840 0.000 1.077 200 D CB 0.058 40.401 40.800 -0.762 0.000 1.126 200 D HN 0.701 nan 8.370 nan 0.000 0.583 201 W N 0.012 121.205 121.300 -0.178 0.000 2.354 201 W HA -0.183 4.477 4.660 -0.000 0.000 0.315 201 W C 2.184 178.557 176.519 -0.243 0.000 1.206 201 W CA 2.203 59.448 57.345 -0.166 0.000 1.290 201 W CB -0.488 28.833 29.460 -0.231 0.000 1.152 201 W HN 0.172 nan 8.180 nan 0.000 0.489 202 V N 0.082 120.028 119.914 0.054 0.000 2.407 202 V HA -0.314 3.806 4.120 -0.000 0.000 0.248 202 V C 1.951 177.798 176.094 -0.413 0.000 1.055 202 V CA 2.086 64.289 62.300 -0.161 0.000 1.049 202 V CB -0.806 30.962 31.823 -0.091 0.000 0.662 202 V HN 0.305 nan 8.190 nan 0.000 0.455 203 Y N 0.544 120.532 120.300 -0.520 0.000 2.352 203 Y HA -0.153 4.397 4.550 -0.000 0.000 0.292 203 Y C 2.582 178.157 175.900 -0.542 0.000 1.136 203 Y CA 2.039 59.732 58.100 -0.679 0.000 1.227 203 Y CB -0.031 37.746 38.460 -1.138 0.000 0.991 203 Y HN 0.409 nan 8.280 nan 0.000 0.545 204 E N 0.013 120.023 120.200 -0.317 0.000 2.107 204 E HA -0.234 4.116 4.350 -0.000 0.000 0.191 204 E C 1.866 178.367 176.600 -0.165 0.000 0.982 204 E CA 1.337 57.643 56.400 -0.157 0.000 0.809 204 E CB 0.134 29.798 29.700 -0.061 0.000 0.756 204 E HN 0.415 nan 8.360 nan 0.000 0.459 205 E N 0.121 120.044 120.200 -0.463 0.000 2.166 205 E HA -0.072 4.278 4.350 -0.000 0.000 0.192 205 E C 1.380 177.835 176.600 -0.243 0.000 0.967 205 E CA 0.944 57.089 56.400 -0.425 0.000 0.840 205 E CB 0.314 29.445 29.700 -0.948 0.000 0.795 205 E HN 0.133 nan 8.360 nan 0.000 0.470 206 E N -0.371 119.651 120.200 -0.296 0.000 2.489 206 E HA 0.082 4.432 4.350 -0.000 0.000 0.204 206 E C 1.587 178.058 176.600 -0.216 0.000 1.006 206 E CA 0.806 57.099 56.400 -0.179 0.000 0.936 206 E CB 1.432 31.029 29.700 -0.171 0.000 1.002 206 E HN 0.336 nan 8.360 nan 0.000 0.488 207 V N -2.949 116.797 119.914 -0.279 0.000 3.054 207 V HA 0.184 4.304 4.120 -0.000 0.000 0.227 207 V C 1.685 177.875 176.094 0.161 0.000 1.252 207 V CA 0.127 62.297 62.300 -0.218 0.000 1.279 207 V CB -0.411 31.031 31.823 -0.635 0.000 1.118 207 V HN -0.097 nan 8.190 nan 0.000 0.504 208 F N 1.299 121.222 119.950 -0.045 0.000 2.473 208 F HA 0.430 4.957 4.527 -0.000 0.000 0.294 208 F C 2.015 177.804 175.800 -0.018 0.000 1.103 208 F CA 0.493 58.510 58.000 0.029 0.000 1.442 208 F CB -0.800 38.256 39.000 0.094 0.000 1.097 208 F HN 0.369 nan 8.300 nan 0.000 0.547 209 S N -0.458 115.327 115.700 0.142 0.000 3.445 209 S HA -0.071 4.399 4.470 -0.000 0.000 0.319 209 S C 0.152 174.624 174.600 -0.214 0.000 1.209 209 S CA 0.486 58.720 58.200 0.056 0.000 0.934 209 S CB -1.486 61.751 63.200 0.061 0.000 0.999 209 S HN 0.621 nan 8.310 nan 0.000 0.582 210 A N -0.763 122.031 122.820 -0.044 0.000 2.587 210 A HA 0.763 5.083 4.320 -0.000 0.000 0.293 210 A C -0.269 177.347 177.584 0.053 0.000 1.087 210 A CA -0.349 51.613 52.037 -0.125 0.000 0.692 210 A CB 0.571 19.545 19.000 -0.044 0.000 1.291 210 A HN 0.380 nan 8.150 nan 0.000 0.407 211 Y N 1.443 121.624 120.300 -0.199 0.000 2.347 211 Y HA 0.207 4.757 4.550 -0.000 0.000 0.294 211 Y C 1.485 177.102 175.900 -0.472 0.000 1.117 211 Y CA 1.126 59.073 58.100 -0.255 0.000 1.184 211 Y CB -0.108 38.210 38.460 -0.237 0.000 1.047 211 Y HN 0.606 nan 8.280 nan 0.000 0.546 212 S N 0.331 115.453 115.700 -0.964 0.000 2.560 212 S HA 0.425 4.895 4.470 -0.000 0.000 0.284 212 S C 0.365 174.585 174.600 -0.633 0.000 1.327 212 S CA 0.225 57.677 58.200 -1.248 0.000 1.055 212 S CB 0.447 62.822 63.200 -1.376 0.000 0.868 212 S HN 0.483 nan 8.310 nan 0.000 0.506 213 A N 3.869 126.300 122.820 -0.649 0.000 2.663 213 A HA 0.504 4.824 4.320 -0.000 0.000 0.273 213 A C -0.886 176.121 177.584 -0.962 0.000 0.932 213 A CA -0.563 51.192 52.037 -0.470 0.000 1.055 213 A CB -0.314 18.780 19.000 0.156 0.000 1.206 213 A HN 0.755 nan 8.150 nan 0.000 0.485 214 L N -4.886 115.544 121.223 -1.322 0.000 2.434 214 L HA 0.875 5.215 4.340 -0.000 0.000 0.260 214 L C -1.344 175.001 176.870 -0.875 0.000 0.983 214 L CA -1.483 52.856 54.840 -0.834 0.000 0.820 214 L CB 0.874 42.713 42.059 -0.365 0.000 1.361 214 L HN 0.216 nan 8.230 nan 0.000 0.410 215 W N 1.501 122.894 121.300 0.154 0.000 2.687 215 W HA 0.336 4.996 4.660 -0.000 0.000 0.328 215 W C -1.407 175.343 176.519 0.385 0.000 1.012 215 W CA -0.737 56.796 57.345 0.314 0.000 1.262 215 W CB 1.429 31.142 29.460 0.420 0.000 1.331 215 W HN 0.620 nan 8.180 nan 0.000 0.433 216 W N 2.357 123.848 121.300 0.318 0.000 2.158 216 W HA 0.200 4.860 4.660 -0.000 0.000 0.339 216 W C 1.297 177.628 176.519 -0.314 0.000 1.294 216 W CA 0.380 57.773 57.345 0.080 0.000 1.231 216 W CB 0.768 30.251 29.460 0.039 0.000 1.143 216 W HN 0.181 nan 8.180 nan 0.000 0.571 217 S N 3.003 118.428 115.700 -0.459 0.000 2.603 217 S HA 0.182 4.652 4.470 -0.000 0.000 0.268 217 S C -1.389 172.901 174.600 -0.517 0.000 1.317 217 S CA -1.123 56.191 58.200 -1.477 0.000 1.012 217 S CB 1.190 63.561 63.200 -1.382 0.000 0.926 217 S HN 0.379 nan 8.310 nan 0.000 0.539 218 P HA -0.233 nan 4.420 nan 0.000 0.216 218 P C 1.255 178.500 177.300 -0.093 0.000 1.154 218 P CA 1.475 64.515 63.100 -0.099 0.000 0.865 218 P CB -0.161 31.543 31.700 0.006 0.000 0.789 219 N N -0.111 118.519 118.700 -0.116 0.000 2.216 219 N HA -0.118 4.622 4.740 -0.000 0.000 0.183 219 N C 1.518 176.945 175.510 -0.138 0.000 1.017 219 N CA 2.023 55.013 53.050 -0.100 0.000 0.861 219 N CB -0.349 38.084 38.487 -0.089 0.000 0.986 219 N HN 0.229 nan 8.380 nan 0.000 0.428 220 G N -1.179 107.533 108.800 -0.146 0.000 2.179 220 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.220 220 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.220 220 G C 0.926 175.820 174.900 -0.010 0.000 0.990 220 G CA 0.722 45.745 45.100 -0.129 0.000 0.646 220 G HN 0.418 nan 8.290 nan 0.000 0.517 221 T N 0.269 114.741 114.554 -0.137 0.000 2.812 221 T HA 0.288 4.638 4.350 -0.000 0.000 0.264 221 T C 0.763 175.289 174.700 -0.290 0.000 1.042 221 T CA 1.127 63.050 62.100 -0.294 0.000 1.140 221 T CB -0.072 68.445 68.868 -0.585 0.000 0.870 221 T HN 0.256 nan 8.240 nan 0.000 0.445 222 F N 0.243 120.235 119.950 0.071 0.000 2.440 222 F HA 0.616 5.143 4.527 -0.000 0.000 0.328 222 F C -0.055 175.835 175.800 0.150 0.000 1.070 222 F CA -1.686 56.401 58.000 0.146 0.000 1.011 222 F CB 1.046 40.229 39.000 0.306 0.000 1.226 222 F HN -0.113 nan 8.300 nan 0.000 0.491 223 L N 2.308 123.731 121.223 0.333 0.000 2.406 223 L HA 0.738 5.078 4.340 -0.000 0.000 0.270 223 L C -1.109 175.889 176.870 0.214 0.000 0.982 223 L CA -0.540 54.335 54.840 0.058 0.000 0.843 223 L CB 1.042 42.891 42.059 -0.352 0.000 1.225 223 L HN 0.771 nan 8.230 nan 0.000 0.412 224 A N 4.721 127.749 122.820 0.346 0.000 2.312 224 A HA 0.775 5.095 4.320 -0.000 0.000 0.326 224 A C -1.405 176.355 177.584 0.294 0.000 1.172 224 A CA -0.316 51.815 52.037 0.156 0.000 0.821 224 A CB 0.956 20.148 19.000 0.319 0.000 1.166 224 A HN 0.724 nan 8.150 nan 0.000 0.493 225 Y N -1.468 118.740 120.300 -0.153 0.000 2.638 225 Y HA 0.784 5.334 4.550 -0.000 0.000 0.335 225 Y C -0.294 175.617 175.900 0.017 0.000 1.155 225 Y CA -0.981 57.138 58.100 0.032 0.000 1.046 225 Y CB 0.868 39.248 38.460 -0.134 0.000 1.303 225 Y HN 0.917 nan 8.280 nan 0.000 0.460 226 A N 1.792 124.809 122.820 0.329 0.000 2.311 226 A HA 0.734 5.054 4.320 -0.000 0.000 0.334 226 A C -1.224 176.290 177.584 -0.116 0.000 1.139 226 A CA -0.843 51.224 52.037 0.052 0.000 0.830 226 A CB 1.821 20.886 19.000 0.108 0.000 1.234 226 A HN 0.819 nan 8.150 nan 0.000 0.483 227 Q N 0.820 120.403 119.800 -0.362 0.000 2.285 227 Q HA 0.584 4.924 4.340 -0.000 0.000 0.269 227 Q C -2.158 173.551 176.000 -0.485 0.000 1.030 227 Q CA -0.353 55.325 55.803 -0.208 0.000 0.788 227 Q CB 1.214 30.045 28.738 0.154 0.000 1.266 227 Q HN 0.589 nan 8.270 nan 0.000 0.438 228 F N 2.220 122.228 119.950 0.097 0.000 2.469 228 F HA 0.432 4.959 4.527 -0.000 0.000 0.332 228 F C 0.458 176.366 175.800 0.180 0.000 1.103 228 F CA -0.882 57.148 58.000 0.050 0.000 0.979 228 F CB 1.441 40.368 39.000 -0.121 0.000 1.137 228 F HN 0.423 nan 8.300 nan 0.000 0.463 229 N N 1.936 120.815 118.700 0.299 0.000 2.476 229 N HA 0.213 4.953 4.740 -0.000 0.000 0.257 229 N C -1.007 174.647 175.510 0.240 0.000 0.970 229 N CA -0.276 52.913 53.050 0.231 0.000 0.938 229 N CB 1.117 39.694 38.487 0.150 0.000 1.144 229 N HN 0.598 nan 8.380 nan 0.000 0.500 230 D N 1.523 122.081 120.400 0.265 0.000 2.463 230 D HA 0.139 4.779 4.640 -0.000 0.000 0.224 230 D C 1.214 177.607 176.300 0.155 0.000 1.174 230 D CA 0.047 54.189 54.000 0.237 0.000 0.829 230 D CB 0.626 41.635 40.800 0.348 0.000 0.993 230 D HN 0.455 nan 8.370 nan 0.000 0.497 231 T N 0.214 114.839 114.554 0.117 0.000 2.620 231 T HA -0.246 4.104 4.350 -0.000 0.000 0.267 231 T C 1.516 176.256 174.700 0.068 0.000 1.044 231 T CA 1.432 63.578 62.100 0.076 0.000 1.161 231 T CB -0.072 68.833 68.868 0.062 0.000 0.862 231 T HN 0.151 nan 8.240 nan 0.000 0.438 232 E N 0.152 120.395 120.200 0.072 0.000 2.444 232 E HA 0.158 4.508 4.350 -0.000 0.000 0.191 232 E C -0.597 176.043 176.600 0.067 0.000 1.041 232 E CA -0.184 56.252 56.400 0.060 0.000 0.883 232 E CB 0.398 30.129 29.700 0.052 0.000 1.024 232 E HN 0.178 nan 8.360 nan 0.000 0.470 233 V N 3.052 123.019 119.914 0.088 0.000 2.408 233 V HA 0.190 4.310 4.120 -0.000 0.000 0.267 233 V C -2.045 174.098 176.094 0.081 0.000 1.047 233 V CA -1.828 60.528 62.300 0.094 0.000 0.937 233 V CB 0.710 32.608 31.823 0.125 0.000 0.999 233 V HN 0.110 nan 8.190 nan 0.000 0.472 234 P HA 0.110 nan 4.420 nan 0.000 0.267 234 P C -0.600 176.727 177.300 0.045 0.000 1.201 234 P CA 0.070 63.198 63.100 0.047 0.000 0.775 234 P CB 0.453 32.179 31.700 0.044 0.000 0.854 235 L N 2.719 123.945 121.223 0.005 0.000 2.295 235 L HA 0.433 4.773 4.340 -0.000 0.000 0.285 235 L C 0.429 177.238 176.870 -0.101 0.000 1.035 235 L CA -1.005 53.820 54.840 -0.026 0.000 0.806 235 L CB 1.011 43.049 42.059 -0.035 0.000 1.214 235 L HN 0.310 nan 8.230 nan 0.000 0.426 236 I N 2.507 122.969 120.570 -0.180 0.000 2.472 236 I HA 0.253 4.423 4.170 -0.000 0.000 0.290 236 I C -0.387 175.558 176.117 -0.287 0.000 1.016 236 I CA 0.252 61.340 61.300 -0.353 0.000 1.348 236 I CB 0.873 38.420 38.000 -0.756 0.000 1.417 236 I HN 0.580 nan 8.210 nan 0.000 0.521 237 E N 7.084 127.133 120.200 -0.252 0.000 2.256 237 E HA 0.485 4.835 4.350 -0.000 0.000 0.268 237 E C -1.811 174.703 176.600 -0.142 0.000 0.877 237 E CA -0.564 55.694 56.400 -0.237 0.000 0.757 237 E CB 1.987 31.583 29.700 -0.173 0.000 1.183 237 E HN 0.577 nan 8.360 nan 0.000 0.418 238 Y N -1.511 118.692 120.300 -0.163 0.000 2.625 238 Y HA 0.597 5.147 4.550 -0.000 0.000 0.338 238 Y C -0.817 175.004 175.900 -0.133 0.000 1.123 238 Y CA -1.330 56.681 58.100 -0.148 0.000 1.046 238 Y CB 0.768 39.143 38.460 -0.141 0.000 1.299 238 Y HN 0.225 nan 8.280 nan 0.000 0.464 239 S N 1.720 117.425 115.700 0.009 0.000 2.562 239 S HA 0.545 5.015 4.470 -0.000 0.000 0.275 239 S C -1.422 173.037 174.600 -0.235 0.000 1.281 239 S CA -0.449 57.618 58.200 -0.222 0.000 1.045 239 S CB 0.837 63.778 63.200 -0.431 0.000 0.962 239 S HN 0.558 nan 8.310 nan 0.000 0.503 240 F N 2.139 121.838 119.950 -0.419 0.000 2.496 240 F HA 0.423 4.950 4.527 -0.000 0.000 0.341 240 F C -0.162 175.420 175.800 -0.363 0.000 1.134 240 F CA -1.072 56.759 58.000 -0.282 0.000 0.968 240 F CB 0.744 39.708 39.000 -0.060 0.000 1.205 240 F HN 0.657 nan 8.300 nan 0.000 0.436 241 Y N 2.758 122.867 120.300 -0.318 0.000 2.395 241 Y HA 0.054 4.604 4.550 -0.000 0.000 0.293 241 Y C 1.772 177.592 175.900 -0.133 0.000 1.123 241 Y CA 1.138 59.126 58.100 -0.188 0.000 1.227 241 Y CB -0.562 37.776 38.460 -0.204 0.000 1.012 241 Y HN 0.724 nan 8.280 nan 0.000 0.552 242 S N -0.256 115.341 115.700 -0.172 0.000 3.513 242 S HA -0.226 4.244 4.470 -0.000 0.000 0.636 242 S C -0.507 174.131 174.600 0.063 0.000 2.452 242 S CA 0.203 58.452 58.200 0.081 0.000 2.644 242 S CB -1.156 62.198 63.200 0.256 0.000 0.331 242 S HN 0.454 nan 8.310 nan 0.000 1.787 243 D N 1.567 122.024 120.400 0.095 0.000 2.400 243 D HA 0.139 4.779 4.640 -0.000 0.000 0.238 243 D C 1.413 177.740 176.300 0.045 0.000 1.157 243 D CA 0.521 54.559 54.000 0.062 0.000 0.889 243 D CB 0.225 41.065 40.800 0.065 0.000 1.199 243 D HN 0.628 nan 8.370 nan 0.000 0.436 244 E N 0.600 120.814 120.200 0.024 0.000 2.187 244 E HA -0.247 4.103 4.350 -0.000 0.000 0.199 244 E C 1.450 178.057 176.600 0.012 0.000 1.004 244 E CA 1.394 57.799 56.400 0.008 0.000 0.813 244 E CB 0.106 29.804 29.700 -0.003 0.000 0.736 244 E HN 0.435 nan 8.360 nan 0.000 0.468 245 S N -0.017 115.697 115.700 0.023 0.000 2.547 245 S HA -0.046 4.424 4.470 -0.000 0.000 0.235 245 S C 1.007 175.627 174.600 0.033 0.000 0.980 245 S CA -0.064 58.150 58.200 0.024 0.000 0.941 245 S CB -0.167 63.051 63.200 0.030 0.000 0.763 245 S HN 0.238 nan 8.310 nan 0.000 0.532 246 L N 2.002 123.252 121.223 0.046 0.000 2.361 246 L HA 0.201 4.541 4.340 -0.000 0.000 0.278 246 L C 1.517 178.410 176.870 0.039 0.000 1.113 246 L CA -0.068 54.811 54.840 0.064 0.000 0.849 246 L CB 1.264 43.379 42.059 0.093 0.000 1.155 246 L HN 0.399 nan 8.230 nan 0.000 0.452 247 Q N 4.021 123.846 119.800 0.042 0.000 2.062 247 Q HA -0.065 4.275 4.340 -0.000 0.000 0.196 247 Q C -0.609 175.284 176.000 -0.179 0.000 0.967 247 Q CA 1.266 57.033 55.803 -0.060 0.000 0.832 247 Q CB 0.204 28.928 28.738 -0.024 0.000 0.899 247 Q HN 0.596 nan 8.270 nan 0.000 0.442 248 Y N 0.594 120.911 120.300 0.028 0.000 2.352 248 Y HA 0.398 4.948 4.550 -0.000 0.000 0.339 248 Y C -2.005 173.915 175.900 0.033 0.000 0.992 248 Y CA -2.850 55.265 58.100 0.025 0.000 1.100 248 Y CB 1.369 39.835 38.460 0.009 0.000 1.192 248 Y HN 0.164 nan 8.280 nan 0.000 0.458 249 P HA 0.069 nan 4.420 nan 0.000 0.271 249 P C -0.898 176.434 177.300 0.054 0.000 1.233 249 P CA -0.518 62.630 63.100 0.081 0.000 0.789 249 P CB 0.704 32.421 31.700 0.029 0.000 0.951 250 K N 0.191 120.600 120.400 0.016 0.000 2.156 250 K HA 0.444 4.764 4.320 -0.000 0.000 0.254 250 K C -0.866 175.702 176.600 -0.055 0.000 0.950 250 K CA -0.424 55.871 56.287 0.013 0.000 0.849 250 K CB 0.834 33.375 32.500 0.069 0.000 1.100 250 K HN 0.284 nan 8.250 nan 0.000 0.434 251 T N 2.695 117.195 114.554 -0.091 0.000 2.874 251 T HA 0.209 4.559 4.350 -0.000 0.000 0.321 251 T C -0.614 173.945 174.700 -0.234 0.000 1.075 251 T CA -0.566 61.438 62.100 -0.160 0.000 0.966 251 T CB 0.723 69.511 68.868 -0.135 0.000 1.001 251 T HN 0.268 nan 8.240 nan 0.000 0.476 252 V N 6.148 125.828 119.914 -0.389 0.000 2.572 252 V HA 0.366 4.486 4.120 -0.000 0.000 0.291 252 V C 0.587 176.363 176.094 -0.529 0.000 1.039 252 V CA -0.294 61.715 62.300 -0.485 0.000 1.055 252 V CB 0.128 31.534 31.823 -0.696 0.000 0.969 252 V HN 0.735 nan 8.190 nan 0.000 0.482 253 R N 3.973 124.307 120.500 -0.277 0.000 2.502 253 R HA 0.707 5.047 4.340 -0.000 0.000 0.298 253 R C -1.974 174.287 176.300 -0.064 0.000 1.018 253 R CA -0.584 55.396 56.100 -0.200 0.000 0.899 253 R CB 1.324 31.540 30.300 -0.139 0.000 1.181 253 R HN 0.346 nan 8.270 nan 0.000 0.444 254 V N 3.709 123.591 119.914 -0.052 0.000 2.540 254 V HA 0.377 4.497 4.120 -0.000 0.000 0.302 254 V C -2.283 173.853 176.094 0.070 0.000 1.035 254 V CA -2.493 59.854 62.300 0.079 0.000 0.873 254 V CB 2.270 34.136 31.823 0.073 0.000 0.992 254 V HN 0.628 nan 8.190 nan 0.000 0.428 255 P HA 0.118 nan 4.420 nan 0.000 0.265 255 P C -1.363 176.043 177.300 0.177 0.000 1.222 255 P CA 0.396 63.595 63.100 0.164 0.000 0.767 255 P CB -0.152 31.691 31.700 0.237 0.000 0.801 256 Y N 6.488 126.759 120.300 -0.049 0.000 2.301 256 Y HA 0.353 4.903 4.550 -0.000 0.000 0.325 256 Y C -2.723 173.143 175.900 -0.058 0.000 1.103 256 Y CA -2.962 55.063 58.100 -0.124 0.000 1.182 256 Y CB 1.640 39.888 38.460 -0.353 0.000 1.139 256 Y HN 0.285 nan 8.280 nan 0.000 0.443 257 P HA 0.201 nan 4.420 nan 0.000 0.279 257 P C -0.865 176.474 177.300 0.064 0.000 1.318 257 P CA -0.045 63.088 63.100 0.056 0.000 0.819 257 P CB 1.070 32.791 31.700 0.036 0.000 0.927 258 K N 2.159 122.672 120.400 0.190 0.000 2.107 258 K HA 0.475 4.795 4.320 -0.000 0.000 0.251 258 K C 0.618 177.315 176.600 0.161 0.000 1.012 258 K CA -0.686 55.733 56.287 0.219 0.000 0.920 258 K CB 0.547 33.195 32.500 0.247 0.000 1.033 258 K HN 0.451 nan 8.250 nan 0.000 0.478 259 A N 0.883 123.828 122.820 0.209 0.000 2.608 259 A HA 0.143 4.463 4.320 -0.000 0.000 0.239 259 A C 1.347 178.979 177.584 0.079 0.000 1.018 259 A CA 1.163 53.316 52.037 0.193 0.000 0.766 259 A CB -1.211 17.980 19.000 0.319 0.000 0.928 259 A HN 0.948 nan 8.150 nan 0.000 0.512 260 G N 1.045 109.878 108.800 0.055 0.000 2.228 260 G HA2 0.017 3.977 3.960 -0.000 0.000 0.270 260 G HA3 0.017 3.977 3.960 -0.000 0.000 0.270 260 G C 0.893 175.809 174.900 0.027 0.000 0.976 260 G CA 1.354 46.461 45.100 0.011 0.000 0.636 260 G HN 2.321 nan 8.290 nan 0.000 0.542 261 A N -0.592 122.259 122.820 0.052 0.000 2.281 261 A HA 0.631 4.951 4.320 -0.000 0.000 0.271 261 A C 0.857 178.472 177.584 0.052 0.000 1.196 261 A CA 0.541 52.611 52.037 0.055 0.000 0.807 261 A CB 0.317 19.363 19.000 0.076 0.000 1.138 261 A HN 1.117 nan 8.150 nan 0.000 0.506 262 V N 2.092 122.038 119.914 0.053 0.000 2.455 262 V HA 0.115 4.235 4.120 -0.000 0.000 0.273 262 V C 0.084 176.220 176.094 0.071 0.000 1.045 262 V CA -0.389 61.943 62.300 0.052 0.000 0.976 262 V CB 0.262 32.114 31.823 0.048 0.000 0.993 262 V HN 0.759 nan 8.190 nan 0.000 0.475 263 N N 6.455 125.198 118.700 0.072 0.000 2.515 263 N HA 0.456 5.196 4.740 -0.000 0.000 0.279 263 N C -2.300 173.283 175.510 0.122 0.000 1.164 263 N CA -1.438 51.676 53.050 0.108 0.000 0.982 263 N CB 1.041 39.598 38.487 0.116 0.000 1.170 263 N HN 0.401 nan 8.380 nan 0.000 0.474 264 P HA 0.091 nan 4.420 nan 0.000 0.272 264 P C -0.408 177.010 177.300 0.196 0.000 1.240 264 P CA -0.153 63.069 63.100 0.203 0.000 0.791 264 P CB 0.400 32.248 31.700 0.246 0.000 0.978 265 T N -2.281 112.374 114.554 0.170 0.000 2.950 265 T HA 0.623 4.973 4.350 -0.000 0.000 0.288 265 T C -0.390 174.398 174.700 0.146 0.000 1.035 265 T CA -0.832 61.332 62.100 0.107 0.000 1.028 265 T CB 1.478 70.385 68.868 0.066 0.000 1.109 265 T HN 0.332 nan 8.240 nan 0.000 0.514 266 V N 0.292 120.268 119.914 0.105 0.000 3.007 266 V HA 0.760 4.880 4.120 -0.000 0.000 0.311 266 V C -1.601 174.547 176.094 0.089 0.000 1.120 266 V CA -0.890 61.437 62.300 0.046 0.000 0.980 266 V CB 2.234 34.111 31.823 0.090 0.000 1.033 266 V HN 1.064 nan 8.190 nan 0.000 0.429 267 K N 3.988 124.380 120.400 -0.013 0.000 2.469 267 K HA 0.535 4.855 4.320 -0.000 0.000 0.254 267 K C -1.944 174.579 176.600 -0.130 0.000 0.939 267 K CA -0.477 55.775 56.287 -0.058 0.000 0.812 267 K CB 2.835 35.281 32.500 -0.090 0.000 1.301 267 K HN 0.540 nan 8.250 nan 0.000 0.433 268 F N 2.754 122.455 119.950 -0.415 0.000 2.482 268 F HA 0.560 5.087 4.527 -0.000 0.000 0.331 268 F C -1.450 173.899 175.800 -0.753 0.000 1.115 268 F CA -0.662 57.090 58.000 -0.413 0.000 0.955 268 F CB 0.717 39.573 39.000 -0.241 0.000 1.136 268 F HN 0.374 nan 8.300 nan 0.000 0.452 269 F N 4.206 123.413 119.950 -1.239 0.000 2.593 269 F HA 0.780 5.307 4.527 -0.000 0.000 0.320 269 F C -0.894 174.189 175.800 -1.196 0.000 1.060 269 F CA -1.192 56.166 58.000 -1.070 0.000 0.940 269 F CB 2.113 40.432 39.000 -1.134 0.000 1.268 269 F HN 0.132 nan 8.300 nan 0.000 0.475 270 V N 2.364 122.006 119.914 -0.453 0.000 2.686 270 V HA 0.628 4.748 4.120 -0.000 0.000 0.306 270 V C -1.223 174.895 176.094 0.040 0.000 1.065 270 V CA -0.815 61.297 62.300 -0.312 0.000 0.894 270 V CB 2.019 33.451 31.823 -0.651 0.000 1.004 270 V HN 0.611 nan 8.190 nan 0.000 0.424 271 V N 4.136 124.168 119.914 0.196 0.000 2.823 271 V HA 0.553 4.673 4.120 -0.000 0.000 0.312 271 V C -0.321 176.002 176.094 0.382 0.000 1.072 271 V CA -0.644 61.818 62.300 0.269 0.000 0.937 271 V CB 2.156 34.098 31.823 0.199 0.000 1.013 271 V HN 0.997 nan 8.190 nan 0.000 0.430 272 N N 2.988 121.906 118.700 0.363 0.000 2.469 272 N HA 0.177 4.917 4.740 -0.000 0.000 0.239 272 N C 1.244 176.803 175.510 0.081 0.000 1.053 272 N CA 0.340 53.555 53.050 0.274 0.000 0.937 272 N CB 1.094 39.741 38.487 0.266 0.000 1.163 272 N HN 0.901 nan 8.380 nan 0.000 0.509 273 T N -0.065 114.524 114.554 0.058 0.000 3.007 273 T HA -0.099 4.251 4.350 -0.000 0.000 0.270 273 T C 0.850 175.528 174.700 -0.037 0.000 1.107 273 T CA 0.870 62.986 62.100 0.028 0.000 1.118 273 T CB 0.041 69.019 68.868 0.184 0.000 0.889 273 T HN 0.395 nan 8.240 nan 0.000 0.506 274 D N 1.762 122.123 120.400 -0.065 0.000 2.347 274 D HA 0.000 4.640 4.640 -0.000 0.000 0.215 274 D C 2.229 178.490 176.300 -0.065 0.000 0.976 274 D CA 1.139 55.094 54.000 -0.075 0.000 0.884 274 D CB -0.019 40.720 40.800 -0.102 0.000 0.915 274 D HN 0.698 nan 8.370 nan 0.000 0.526 275 S N -0.294 115.371 115.700 -0.057 0.000 2.524 275 S HA 0.070 4.540 4.470 -0.000 0.000 0.216 275 S C 2.109 176.651 174.600 -0.097 0.000 0.987 275 S CA -0.217 57.959 58.200 -0.040 0.000 0.909 275 S CB -0.276 62.931 63.200 0.012 0.000 0.781 275 S HN 0.159 nan 8.310 nan 0.000 0.521 276 L N 2.506 123.605 121.223 -0.207 0.000 2.137 276 L HA -0.129 4.211 4.340 -0.000 0.000 0.213 276 L C 2.543 179.142 176.870 -0.451 0.000 1.085 276 L CA 1.623 56.179 54.840 -0.474 0.000 0.760 276 L CB -0.812 40.719 42.059 -0.880 0.000 0.893 276 L HN 0.606 nan 8.230 nan 0.000 0.434 277 S N -3.149 112.420 115.700 -0.218 0.000 2.660 277 S HA 0.125 4.595 4.470 -0.000 0.000 0.227 277 S C 1.220 175.844 174.600 0.041 0.000 0.948 277 S CA 0.163 58.368 58.200 0.007 0.000 0.948 277 S CB 0.587 63.829 63.200 0.069 0.000 0.779 277 S HN 0.246 nan 8.310 nan 0.000 0.487 278 S N 0.040 115.747 115.700 0.012 0.000 2.653 278 S HA 0.186 4.656 4.470 -0.000 0.000 0.259 278 S C 1.494 176.118 174.600 0.040 0.000 1.076 278 S CA 0.347 58.566 58.200 0.032 0.000 1.051 278 S CB 0.546 63.759 63.200 0.022 0.000 0.994 278 S HN 0.528 nan 8.310 nan 0.000 0.552 279 V N -1.561 118.374 119.914 0.034 0.000 2.484 279 V HA 0.461 4.581 4.120 -0.000 0.000 0.236 279 V C 1.363 177.496 176.094 0.064 0.000 1.062 279 V CA 1.364 63.691 62.300 0.045 0.000 1.081 279 V CB -0.170 31.677 31.823 0.039 0.000 0.751 279 V HN 0.414 nan 8.190 nan 0.000 0.484 280 T N -0.892 113.714 114.554 0.088 0.000 5.841 280 T HA -0.126 4.224 4.350 -0.000 0.000 0.273 280 T C -0.334 174.461 174.700 0.158 0.000 2.197 280 T CA 0.551 62.731 62.100 0.133 0.000 3.765 280 T CB -1.573 67.349 68.868 0.089 0.000 0.557 280 T HN 0.682 nan 8.240 nan 0.000 0.363 281 N N 1.477 120.240 118.700 0.105 0.000 2.648 281 N HA 0.690 5.430 4.740 -0.000 0.000 0.261 281 N C -0.554 175.009 175.510 0.089 0.000 1.138 281 N CA 0.545 53.668 53.050 0.121 0.000 0.804 281 N CB 1.368 39.867 38.487 0.019 0.000 1.237 281 N HN 0.741 nan 8.380 nan 0.000 0.532 282 A N 1.864 124.737 122.820 0.088 0.000 2.520 282 A HA 0.359 4.679 4.320 -0.000 0.000 0.245 282 A C 0.653 178.298 177.584 0.103 0.000 1.072 282 A CA -0.023 52.059 52.037 0.075 0.000 0.761 282 A CB -0.364 18.662 19.000 0.044 0.000 1.004 282 A HN 0.617 nan 8.150 nan 0.000 0.499 283 T N 1.231 115.850 114.554 0.108 0.000 2.884 283 T HA 0.428 4.778 4.350 -0.000 0.000 0.298 283 T C 0.220 175.013 174.700 0.155 0.000 0.998 283 T CA -0.391 61.780 62.100 0.118 0.000 1.124 283 T CB 0.636 69.571 68.868 0.112 0.000 0.931 283 T HN 0.438 nan 8.240 nan 0.000 0.531 284 S N 3.432 119.222 115.700 0.151 0.000 2.410 284 S HA 0.357 4.827 4.470 -0.000 0.000 0.304 284 S C 0.281 175.035 174.600 0.255 0.000 1.095 284 S CA -0.891 57.420 58.200 0.185 0.000 1.089 284 S CB -0.019 63.243 63.200 0.103 0.000 0.968 284 S HN 0.537 nan 8.310 nan 0.000 0.480 285 I N 3.474 124.184 120.570 0.234 0.000 2.441 285 I HA 0.216 4.386 4.170 -0.000 0.000 0.287 285 I C 0.634 176.816 176.117 0.108 0.000 1.049 285 I CA -0.114 61.319 61.300 0.221 0.000 1.381 285 I CB 0.593 38.789 38.000 0.327 0.000 1.409 285 I HN 0.664 nan 8.210 nan 0.000 0.523 286 Q N 6.397 126.220 119.800 0.039 0.000 2.230 286 Q HA 0.577 4.917 4.340 -0.000 0.000 0.253 286 Q C -1.328 174.581 176.000 -0.152 0.000 0.919 286 Q CA -0.579 55.049 55.803 -0.293 0.000 0.908 286 Q CB 1.618 30.069 28.738 -0.478 0.000 1.245 286 Q HN 0.573 nan 8.270 nan 0.000 0.437 287 I N 3.935 124.422 120.570 -0.138 0.000 2.382 287 I HA 0.250 4.420 4.170 -0.000 0.000 0.286 287 I C 0.588 176.695 176.117 -0.017 0.000 1.002 287 I CA -0.518 60.779 61.300 -0.006 0.000 1.135 287 I CB 1.666 39.709 38.000 0.071 0.000 1.288 287 I HN 0.831 nan 8.210 nan 0.000 0.448 288 T N 3.212 117.717 114.554 -0.083 0.000 3.030 288 T HA 0.791 5.141 4.350 -0.000 0.000 0.274 288 T C 0.898 175.403 174.700 -0.325 0.000 1.187 288 T CA 0.278 62.276 62.100 -0.170 0.000 0.949 288 T CB 0.687 69.455 68.868 -0.166 0.000 2.268 288 T HN 0.870 nan 8.240 nan 0.000 0.554 289 A N 1.167 123.739 122.820 -0.412 0.000 6.115 289 A HA -0.046 4.274 4.320 -0.000 0.000 0.360 289 A C -2.358 174.639 177.584 -0.978 0.000 1.861 289 A CA 0.416 52.133 52.037 -0.535 0.000 1.013 289 A CB -2.767 16.036 19.000 -0.328 0.000 1.278 289 A HN 0.851 nan 8.150 nan 0.000 0.460 290 P HA 0.413 nan 4.420 nan 0.000 0.272 290 P C 0.901 177.977 177.300 -0.374 0.000 1.223 290 P CA 0.641 63.480 63.100 -0.434 0.000 0.784 290 P CB 0.603 32.117 31.700 -0.310 0.000 0.923 291 A N 2.116 124.791 122.820 -0.240 0.000 1.978 291 A HA -0.198 4.122 4.320 -0.000 0.000 0.220 291 A C 1.987 179.466 177.584 -0.174 0.000 1.170 291 A CA 2.359 54.282 52.037 -0.191 0.000 0.636 291 A CB -1.725 17.197 19.000 -0.130 0.000 0.810 291 A HN 0.613 nan 8.150 nan 0.000 0.448 292 S N -2.251 113.366 115.700 -0.139 0.000 2.515 292 S HA 0.001 4.471 4.470 -0.000 0.000 0.231 292 S C 1.570 176.105 174.600 -0.107 0.000 0.987 292 S CA 1.472 59.625 58.200 -0.079 0.000 0.936 292 S CB -0.136 63.096 63.200 0.054 0.000 0.766 292 S HN 0.337 nan 8.310 nan 0.000 0.528 293 M N 1.176 120.630 119.600 -0.244 0.000 2.691 293 M HA 0.481 4.961 4.480 -0.000 0.000 0.261 293 M C 1.648 177.636 176.300 -0.521 0.000 1.227 293 M CA 0.734 55.806 55.300 -0.380 0.000 1.197 293 M CB -0.659 31.570 32.600 -0.618 0.000 1.294 293 M HN 0.233 nan 8.290 nan 0.000 0.508 294 L N -0.561 120.367 121.223 -0.492 0.000 2.265 294 L HA -0.158 4.182 4.340 -0.000 0.000 0.215 294 L C 2.218 179.005 176.870 -0.139 0.000 1.117 294 L CA 0.889 55.533 54.840 -0.326 0.000 0.782 294 L CB -0.735 41.169 42.059 -0.259 0.000 0.914 294 L HN 0.283 nan 8.230 nan 0.000 0.441 295 I N -0.430 120.061 120.570 -0.132 0.000 2.850 295 I HA -0.095 4.075 4.170 -0.000 0.000 0.266 295 I C 1.019 177.113 176.117 -0.039 0.000 1.257 295 I CA 0.648 61.901 61.300 -0.079 0.000 1.465 295 I CB 0.012 37.960 38.000 -0.087 0.000 1.091 295 I HN 0.240 nan 8.210 nan 0.000 0.467 296 G N -0.921 107.876 108.800 -0.005 0.000 2.619 296 G HA2 0.191 4.151 3.960 -0.000 0.000 0.305 296 G HA3 0.191 4.151 3.960 -0.000 0.000 0.305 296 G C -1.681 173.294 174.900 0.125 0.000 1.330 296 G CA -0.640 44.480 45.100 0.032 0.000 0.789 296 G HN -0.084 nan 8.290 nan 0.000 0.487 297 D N 1.177 121.596 120.400 0.032 0.000 2.443 297 D HA 0.415 5.055 4.640 -0.000 0.000 0.239 297 D C 0.461 176.715 176.300 -0.078 0.000 1.136 297 D CA 0.829 54.787 54.000 -0.070 0.000 0.879 297 D CB 0.412 41.132 40.800 -0.134 0.000 1.195 297 D HN 0.555 nan 8.370 nan 0.000 0.443 298 H N -0.872 118.050 119.070 -0.247 0.000 2.918 298 H HA 0.434 4.990 4.556 -0.000 0.000 0.303 298 H C -1.404 173.770 175.328 -0.256 0.000 1.380 298 H CA -0.807 55.090 56.048 -0.252 0.000 1.134 298 H CB 0.331 30.095 29.762 0.002 0.000 1.842 298 H HN 0.306 nan 8.280 nan 0.000 0.533 299 Y N 0.004 120.540 120.300 0.394 0.000 2.524 299 Y HA 0.397 4.947 4.550 -0.000 0.000 0.347 299 Y C -0.477 175.709 175.900 0.477 0.000 1.005 299 Y CA -1.110 57.214 58.100 0.374 0.000 1.025 299 Y CB 2.020 40.550 38.460 0.116 0.000 1.275 299 Y HN 0.477 nan 8.280 nan 0.000 0.460 300 L N 2.318 123.900 121.223 0.597 0.000 2.260 300 L HA 0.408 4.748 4.340 -0.000 0.000 0.289 300 L C -0.184 176.854 176.870 0.279 0.000 1.057 300 L CA 0.101 54.958 54.840 0.028 0.000 0.811 300 L CB 0.236 42.258 42.059 -0.062 0.000 1.184 300 L HN 0.990 nan 8.230 nan 0.000 0.429 301 C N 2.479 121.796 119.300 0.028 0.000 2.602 301 C HA 0.259 4.719 4.460 -0.000 0.000 0.282 301 C C 0.747 175.732 174.990 -0.009 0.000 1.313 301 C CA -0.117 58.966 59.018 0.109 0.000 1.699 301 C CB -0.354 27.397 27.740 0.019 0.000 2.124 301 C HN 0.876 nan 8.230 nan 0.000 0.509 302 D N -0.487 119.744 120.400 -0.282 0.000 2.661 302 D HA 0.442 5.082 4.640 -0.000 0.000 0.228 302 D C -1.740 174.163 176.300 -0.661 0.000 1.183 302 D CA 0.029 53.775 54.000 -0.422 0.000 0.844 302 D CB 2.570 43.197 40.800 -0.290 0.000 1.555 302 D HN 0.159 nan 8.370 nan 0.000 0.453 303 V N 1.817 121.238 119.914 -0.822 0.000 2.567 303 V HA 0.688 4.808 4.120 -0.000 0.000 0.298 303 V C -1.319 174.295 176.094 -0.800 0.000 1.047 303 V CA -0.059 61.617 62.300 -1.040 0.000 0.880 303 V CB 1.389 32.227 31.823 -1.640 0.000 1.009 303 V HN 0.685 nan 8.190 nan 0.000 0.429 304 T N 2.211 116.434 114.554 -0.553 0.000 2.886 304 T HA 0.622 4.972 4.350 -0.000 0.000 0.292 304 T C -1.002 173.520 174.700 -0.297 0.000 1.012 304 T CA -0.440 61.502 62.100 -0.263 0.000 0.982 304 T CB 1.253 70.052 68.868 -0.115 0.000 1.018 304 T HN 0.723 nan 8.240 nan 0.000 0.451 305 W N 1.856 123.072 121.300 -0.141 0.000 2.287 305 W HA 0.577 5.237 4.660 -0.000 0.000 0.313 305 W C 1.146 177.500 176.519 -0.275 0.000 1.267 305 W CA -0.387 56.873 57.345 -0.142 0.000 1.201 305 W CB 0.871 30.344 29.460 0.021 0.000 1.196 305 W HN 1.004 nan 8.180 nan 0.000 0.536 306 A N 2.131 124.784 122.820 -0.279 0.000 1.924 306 A HA 0.162 4.482 4.320 -0.000 0.000 0.211 306 A C 1.052 178.580 177.584 -0.094 0.000 1.198 306 A CA 1.659 53.328 52.037 -0.615 0.000 0.657 306 A CB -0.390 17.942 19.000 -1.113 0.000 0.852 306 A HN 0.547 nan 8.150 nan 0.000 0.454 307 T N -5.635 108.975 114.554 0.093 0.000 2.590 307 T HA 0.393 4.743 4.350 -0.000 0.000 0.282 307 T C 0.539 175.412 174.700 0.288 0.000 0.989 307 T CA -0.037 62.166 62.100 0.172 0.000 1.091 307 T CB 0.792 69.748 68.868 0.146 0.000 1.460 307 T HN -0.127 nan 8.240 nan 0.000 0.499 308 Q N 0.992 120.934 119.800 0.237 0.000 2.224 308 Q HA 0.072 4.412 4.340 -0.000 0.000 0.203 308 Q C 0.892 177.158 176.000 0.442 0.000 0.970 308 Q CA 1.794 57.743 55.803 0.243 0.000 0.865 308 Q CB -0.100 28.733 28.738 0.158 0.000 0.922 308 Q HN 0.885 nan 8.270 nan 0.000 0.445 309 E N -1.497 118.977 120.200 0.457 0.000 3.521 309 E HA 0.285 4.635 4.350 -0.000 0.000 0.183 309 E C -0.494 176.387 176.600 0.467 0.000 0.981 309 E CA -0.263 56.468 56.400 0.553 0.000 1.349 309 E CB 0.754 30.672 29.700 0.364 0.000 1.102 309 E HN -0.134 nan 8.360 nan 0.000 0.449 310 R N 1.532 122.313 120.500 0.470 0.000 2.514 310 R HA 0.534 4.874 4.340 -0.000 0.000 0.296 310 R C -1.674 174.642 176.300 0.026 0.000 1.012 310 R CA -0.570 55.673 56.100 0.239 0.000 0.897 310 R CB 1.969 32.324 30.300 0.091 0.000 1.184 310 R HN 0.349 nan 8.270 nan 0.000 0.440 311 I N 2.372 122.830 120.570 -0.187 0.000 2.569 311 I HA 0.394 4.564 4.170 -0.000 0.000 0.296 311 I C -0.689 175.139 176.117 -0.480 0.000 1.028 311 I CA -0.406 60.525 61.300 -0.615 0.000 1.082 311 I CB 2.138 39.431 38.000 -1.178 0.000 1.264 311 I HN 0.690 nan 8.210 nan 0.000 0.429 312 S N 7.549 122.935 115.700 -0.523 0.000 2.454 312 S HA 0.738 5.208 4.470 -0.000 0.000 0.306 312 S C -1.170 173.114 174.600 -0.527 0.000 1.100 312 S CA -0.680 57.293 58.200 -0.378 0.000 1.087 312 S CB 1.572 64.667 63.200 -0.174 0.000 1.019 312 S HN 0.436 nan 8.310 nan 0.000 0.480 313 L N 2.986 123.917 121.223 -0.486 0.000 2.356 313 L HA 0.521 4.861 4.340 -0.000 0.000 0.277 313 L C 0.005 176.564 176.870 -0.517 0.000 0.996 313 L CA -0.112 54.327 54.840 -0.669 0.000 0.822 313 L CB 1.746 43.355 42.059 -0.749 0.000 1.256 313 L HN 0.797 nan 8.230 nan 0.000 0.413 314 Q N 1.964 121.406 119.800 -0.597 0.000 2.256 314 Q HA 0.503 4.843 4.340 -0.000 0.000 0.257 314 Q C -1.486 174.225 176.000 -0.481 0.000 0.936 314 Q CA -0.446 55.135 55.803 -0.371 0.000 0.903 314 Q CB 2.059 30.639 28.738 -0.263 0.000 1.263 314 Q HN 0.526 nan 8.270 nan 0.000 0.440 315 W N 2.028 123.298 121.300 -0.051 0.000 2.902 315 W HA 0.672 5.332 4.660 -0.000 0.000 0.346 315 W C -1.061 175.504 176.519 0.076 0.000 1.139 315 W CA -0.638 56.731 57.345 0.040 0.000 1.139 315 W CB 1.172 30.633 29.460 0.000 0.000 1.439 315 W HN 0.391 nan 8.180 nan 0.000 0.558 316 L N 1.371 122.854 121.223 0.433 0.000 2.513 316 L HA 0.539 4.879 4.340 -0.000 0.000 0.261 316 L C -0.486 176.583 176.870 0.332 0.000 0.945 316 L CA -1.074 53.966 54.840 0.334 0.000 0.848 316 L CB 1.541 43.788 42.059 0.314 0.000 1.334 316 L HN 0.466 nan 8.230 nan 0.000 0.407 317 R N 2.447 123.099 120.500 0.254 0.000 2.707 317 R HA 0.319 4.659 4.340 -0.000 0.000 0.270 317 R C 0.978 177.320 176.300 0.071 0.000 1.083 317 R CA -0.338 55.854 56.100 0.154 0.000 1.182 317 R CB 0.443 30.829 30.300 0.143 0.000 1.084 317 R HN 0.625 nan 8.270 nan 0.000 0.528 318 R N 0.921 121.373 120.500 -0.080 0.000 2.152 318 R HA -0.046 4.294 4.340 -0.000 0.000 0.232 318 R C 0.277 176.630 176.300 0.089 0.000 1.117 318 R CA 0.981 57.024 56.100 -0.095 0.000 0.981 318 R CB 0.210 30.425 30.300 -0.142 0.000 0.870 318 R HN 0.389 nan 8.270 nan 0.000 0.451 319 I N 2.921 123.534 120.570 0.071 0.000 2.278 319 I HA 0.019 4.189 4.170 -0.000 0.000 0.296 319 I C 0.296 176.485 176.117 0.121 0.000 1.121 319 I CA 0.295 61.643 61.300 0.081 0.000 1.267 319 I CB 0.915 38.947 38.000 0.054 0.000 1.447 319 I HN 0.154 nan 8.210 nan 0.000 0.509 320 Q N 4.286 124.163 119.800 0.128 0.000 2.271 320 Q HA -0.087 4.253 4.340 -0.000 0.000 0.206 320 Q C 0.785 176.877 176.000 0.155 0.000 0.860 320 Q CA 0.102 55.995 55.803 0.151 0.000 0.991 320 Q CB -0.343 28.458 28.738 0.104 0.000 1.232 320 Q HN 0.624 nan 8.270 nan 0.000 0.410 321 N N -1.052 117.740 118.700 0.154 0.000 2.184 321 N HA -0.062 4.678 4.740 -0.000 0.000 0.206 321 N C -0.925 174.709 175.510 0.208 0.000 1.151 321 N CA -0.115 53.020 53.050 0.141 0.000 0.878 321 N CB 0.405 38.955 38.487 0.106 0.000 1.014 321 N HN 0.204 nan 8.380 nan 0.000 0.512 322 Y N 0.447 120.784 120.300 0.061 0.000 2.322 322 Y HA 0.584 5.134 4.550 -0.000 0.000 0.324 322 Y C -1.078 174.868 175.900 0.076 0.000 1.027 322 Y CA -1.005 57.128 58.100 0.055 0.000 1.179 322 Y CB 1.613 40.096 38.460 0.037 0.000 1.136 322 Y HN 0.008 nan 8.280 nan 0.000 0.449 323 S N 4.325 119.911 115.700 -0.190 0.000 2.536 323 S HA 0.906 5.376 4.470 -0.000 0.000 0.298 323 S C -1.848 172.626 174.600 -0.210 0.000 1.083 323 S CA -0.466 57.678 58.200 -0.093 0.000 0.995 323 S CB 1.264 64.455 63.200 -0.014 0.000 1.058 323 S HN 0.443 nan 8.310 nan 0.000 0.488 324 V N 4.970 124.857 119.914 -0.046 0.000 2.686 324 V HA 0.518 4.638 4.120 -0.000 0.000 0.306 324 V C -0.459 175.671 176.094 0.060 0.000 1.065 324 V CA -0.651 61.629 62.300 -0.033 0.000 0.894 324 V CB 1.897 33.711 31.823 -0.015 0.000 1.004 324 V HN 0.951 nan 8.190 nan 0.000 0.424 325 M N 3.606 123.212 119.600 0.010 0.000 2.205 325 M HA 0.566 5.046 4.480 -0.000 0.000 0.344 325 M C -1.501 174.814 176.300 0.024 0.000 1.085 325 M CA -0.328 54.963 55.300 -0.016 0.000 1.001 325 M CB 1.411 33.943 32.600 -0.112 0.000 1.626 325 M HN 0.622 nan 8.290 nan 0.000 0.442 326 D N 4.653 125.063 120.400 0.016 0.000 2.198 326 D HA 0.577 5.217 4.640 -0.000 0.000 0.247 326 D C -0.962 175.312 176.300 -0.043 0.000 1.010 326 D CA -0.057 53.946 54.000 0.004 0.000 0.880 326 D CB 1.914 42.737 40.800 0.039 0.000 1.209 326 D HN 0.572 nan 8.370 nan 0.000 0.451 327 I N 1.986 122.550 120.570 -0.009 0.000 2.411 327 I HA 0.298 4.468 4.170 -0.000 0.000 0.284 327 I C -0.679 175.440 176.117 0.004 0.000 1.012 327 I CA -0.645 60.652 61.300 -0.005 0.000 1.119 327 I CB 1.247 39.303 38.000 0.094 0.000 1.261 327 I HN 0.152 nan 8.210 nan 0.000 0.448 328 c N 3.669 122.264 118.600 -0.009 0.000 2.382 328 c HA 0.565 5.135 4.570 -0.000 0.000 0.327 328 c C -0.146 174.071 174.090 0.211 0.000 1.250 328 c CA -0.674 55.711 56.329 0.094 0.000 1.707 328 c CB 1.006 43.582 42.510 0.110 0.000 2.272 328 c HN 0.623 nan 8.230 nan 0.000 0.506 329 D N -0.027 120.475 120.400 0.170 0.000 2.248 329 D HA 0.375 5.015 4.640 -0.000 0.000 0.246 329 D C -0.703 175.518 176.300 -0.132 0.000 1.027 329 D CA -0.264 53.792 54.000 0.093 0.000 0.853 329 D CB 0.795 41.610 40.800 0.025 0.000 1.243 329 D HN 0.575 nan 8.370 nan 0.000 0.462 330 Y N 1.608 121.508 120.300 -0.666 0.000 2.425 330 Y HA 0.170 4.720 4.550 -0.000 0.000 0.331 330 Y C -0.129 175.452 175.900 -0.532 0.000 1.157 330 Y CA 0.026 57.397 58.100 -1.214 0.000 1.372 330 Y CB 0.730 38.396 38.460 -1.324 0.000 1.253 330 Y HN 0.225 nan 8.280 nan 0.000 0.536 331 D N 5.604 125.335 120.400 -1.116 0.000 2.454 331 D HA 0.052 4.692 4.640 -0.000 0.000 0.225 331 D C 0.298 175.991 176.300 -1.011 0.000 1.081 331 D CA -0.150 53.403 54.000 -0.745 0.000 0.864 331 D CB 0.705 41.235 40.800 -0.449 0.000 1.040 331 D HN 0.902 nan 8.370 nan 0.000 0.517 332 E N 2.007 121.798 120.200 -0.682 0.000 2.533 332 E HA -0.112 4.238 4.350 -0.000 0.000 0.201 332 E C 0.959 177.435 176.600 -0.206 0.000 1.097 332 E CA 0.304 56.484 56.400 -0.366 0.000 0.887 332 E CB 0.444 30.121 29.700 -0.039 0.000 0.855 332 E HN 0.288 nan 8.360 nan 0.000 0.540 333 S N -1.707 113.846 115.700 -0.244 0.000 2.641 333 S HA 0.043 4.513 4.470 -0.000 0.000 0.239 333 S C 1.719 176.242 174.600 -0.129 0.000 1.081 333 S CA 0.506 58.625 58.200 -0.136 0.000 0.904 333 S CB 0.201 63.336 63.200 -0.109 0.000 0.803 333 S HN 0.166 nan 8.310 nan 0.000 0.510 334 S N -0.341 115.247 115.700 -0.187 0.000 2.486 334 S HA 0.323 4.793 4.470 -0.000 0.000 0.220 334 S C 1.445 175.974 174.600 -0.119 0.000 1.011 334 S CA 1.250 59.370 58.200 -0.132 0.000 0.921 334 S CB -0.443 62.679 63.200 -0.131 0.000 0.785 334 S HN 1.329 nan 8.310 nan 0.000 0.517 335 G N 1.446 110.103 108.800 -0.238 0.000 2.189 335 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.267 335 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.267 335 G C 0.218 175.121 174.900 0.004 0.000 0.975 335 G CA 0.468 45.522 45.100 -0.077 0.000 0.644 335 G HN 0.468 nan 8.290 nan 0.000 0.537 336 R N -1.417 119.001 120.500 -0.137 0.000 2.705 336 R HA 0.707 5.047 4.340 -0.000 0.000 0.246 336 R C -0.745 175.481 176.300 -0.123 0.000 1.142 336 R CA -0.978 55.134 56.100 0.019 0.000 1.114 336 R CB 0.302 30.614 30.300 0.020 0.000 1.256 336 R HN 0.190 nan 8.270 nan 0.000 0.536 337 W N 0.409 121.706 121.300 -0.005 0.000 2.475 337 W HA 0.379 5.039 4.660 -0.000 0.000 0.320 337 W C -0.581 175.916 176.519 -0.038 0.000 1.022 337 W CA -0.407 56.932 57.345 -0.009 0.000 1.240 337 W CB 0.951 30.412 29.460 0.001 0.000 1.328 337 W HN 0.406 nan 8.180 nan 0.000 0.439 338 N N 1.834 120.597 118.700 0.105 0.000 2.417 338 N HA 0.617 5.357 4.740 -0.000 0.000 0.300 338 N C -1.364 174.178 175.510 0.054 0.000 1.102 338 N CA -0.561 52.519 53.050 0.050 0.000 0.886 338 N CB 1.230 39.711 38.487 -0.011 0.000 1.203 338 N HN 0.175 nan 8.380 nan 0.000 0.496 339 c N 2.196 120.810 118.600 0.023 0.000 2.409 339 c HA 0.374 4.944 4.570 -0.000 0.000 0.297 339 c C 0.225 174.306 174.090 -0.015 0.000 1.083 339 c CA -1.162 55.172 56.329 0.008 0.000 1.515 339 c CB -1.285 41.222 42.510 -0.005 0.000 1.869 339 c HN 0.593 nan 8.230 nan 0.000 0.413 340 L N 2.118 123.334 121.223 -0.012 0.000 2.578 340 L HA 0.008 4.348 4.340 -0.000 0.000 0.279 340 L C 1.674 178.519 176.870 -0.041 0.000 1.227 340 L CA 0.302 55.127 54.840 -0.025 0.000 0.900 340 L CB 0.377 42.426 42.059 -0.017 0.000 1.144 340 L HN 0.615 nan 8.230 nan 0.000 0.496 341 V N 4.035 123.919 119.914 -0.049 0.000 2.626 341 V HA -0.195 3.925 4.120 -0.000 0.000 0.252 341 V C 2.196 178.241 176.094 -0.082 0.000 1.067 341 V CA 2.028 64.289 62.300 -0.064 0.000 1.081 341 V CB 0.077 31.866 31.823 -0.056 0.000 0.686 341 V HN 0.969 nan 8.190 nan 0.000 0.468 342 A N -0.263 122.516 122.820 -0.068 0.000 2.209 342 A HA -0.029 4.291 4.320 -0.000 0.000 0.212 342 A C 2.256 179.776 177.584 -0.107 0.000 1.158 342 A CA 1.224 53.216 52.037 -0.075 0.000 0.742 342 A CB -0.476 18.496 19.000 -0.046 0.000 0.790 342 A HN 0.583 nan 8.150 nan 0.000 0.472 343 R N -0.600 119.837 120.500 -0.104 0.000 2.397 343 R HA 0.153 4.493 4.340 -0.000 0.000 0.241 343 R C 0.601 176.771 176.300 -0.216 0.000 0.914 343 R CA -0.079 55.962 56.100 -0.098 0.000 1.071 343 R CB 0.064 30.365 30.300 0.002 0.000 1.116 343 R HN 0.637 nan 8.270 nan 0.000 0.524 344 Q N 0.394 120.032 119.800 -0.271 0.000 2.235 344 Q HA 0.126 4.466 4.340 -0.000 0.000 0.250 344 Q C -1.366 174.362 176.000 -0.453 0.000 0.909 344 Q CA -0.418 55.238 55.803 -0.245 0.000 0.910 344 Q CB 0.885 29.546 28.738 -0.129 0.000 1.223 344 Q HN 0.310 nan 8.270 nan 0.000 0.432 345 H N 2.568 121.617 119.070 -0.034 0.000 2.547 345 H HA 0.412 4.968 4.556 -0.000 0.000 0.342 345 H C -1.056 174.221 175.328 -0.085 0.000 1.048 345 H CA -0.578 55.446 56.048 -0.039 0.000 1.204 345 H CB 1.155 30.874 29.762 -0.071 0.000 1.493 345 H HN 0.497 nan 8.280 nan 0.000 0.511 346 I N 2.062 122.634 120.570 0.004 0.000 2.359 346 I HA 0.197 4.367 4.170 -0.000 0.000 0.294 346 I C 0.030 176.092 176.117 -0.092 0.000 0.987 346 I CA -0.150 61.067 61.300 -0.137 0.000 1.225 346 I CB 1.355 39.253 38.000 -0.170 0.000 1.366 346 I HN 0.621 nan 8.210 nan 0.000 0.466 347 E N 7.784 127.882 120.200 -0.170 0.000 2.255 347 E HA 0.545 4.895 4.350 -0.000 0.000 0.256 347 E C -1.360 175.172 176.600 -0.113 0.000 0.887 347 E CA -0.662 55.693 56.400 -0.074 0.000 0.782 347 E CB 1.089 30.770 29.700 -0.031 0.000 1.214 347 E HN 0.628 nan 8.360 nan 0.000 0.417 348 M N 1.397 120.970 119.600 -0.045 0.000 2.530 348 M HA 0.599 5.079 4.480 -0.000 0.000 0.307 348 M C -1.001 175.324 176.300 0.041 0.000 1.161 348 M CA -0.874 54.438 55.300 0.019 0.000 0.903 348 M CB 2.169 34.842 32.600 0.122 0.000 1.711 348 M HN 0.247 nan 8.290 nan 0.000 0.451 349 S N 0.163 115.889 115.700 0.043 0.000 2.537 349 S HA 0.624 5.094 4.470 -0.000 0.000 0.301 349 S C 0.640 175.249 174.600 0.015 0.000 1.092 349 S CA 0.021 58.230 58.200 0.014 0.000 1.048 349 S CB 1.646 64.826 63.200 -0.032 0.000 1.053 349 S HN 0.889 nan 8.310 nan 0.000 0.501 350 T N -0.687 113.872 114.554 0.008 0.000 2.990 350 T HA 0.050 4.400 4.350 -0.000 0.000 0.249 350 T C 1.537 176.231 174.700 -0.009 0.000 1.039 350 T CA 0.811 62.916 62.100 0.008 0.000 1.036 350 T CB -0.492 68.385 68.868 0.016 0.000 0.994 350 T HN 0.657 nan 8.240 nan 0.000 0.489 351 T N -1.676 112.871 114.554 -0.012 0.000 3.037 351 T HA 0.588 4.938 4.350 -0.000 0.000 0.251 351 T C 1.187 175.760 174.700 -0.211 0.000 1.079 351 T CA 0.467 62.563 62.100 -0.007 0.000 1.067 351 T CB 0.262 69.200 68.868 0.117 0.000 0.948 351 T HN 0.624 nan 8.240 nan 0.000 0.496 352 G N 0.265 108.785 108.800 -0.465 0.000 2.791 352 G HA2 0.494 4.454 3.960 -0.000 0.000 0.158 352 G HA3 0.494 4.454 3.960 -0.000 0.000 0.158 352 G C -1.495 173.171 174.900 -0.390 0.000 1.193 352 G CA -0.583 44.024 45.100 -0.822 0.000 1.032 352 G HN 0.494 nan 8.290 nan 0.000 0.557 353 W N -0.196 120.878 121.300 -0.376 0.000 2.181 353 W HA 0.755 5.415 4.660 -0.000 0.000 0.415 353 W C -0.356 176.132 176.519 -0.052 0.000 1.689 353 W CA -1.247 55.997 57.345 -0.169 0.000 1.859 353 W CB 0.467 29.800 29.460 -0.211 0.000 1.425 353 W HN 0.257 nan 8.180 nan 0.000 0.713 354 V N 2.707 122.721 119.914 0.167 0.000 2.439 354 V HA 0.669 4.789 4.120 -0.000 0.000 0.282 354 V C 0.807 176.993 176.094 0.154 0.000 1.039 354 V CA 0.276 62.627 62.300 0.085 0.000 0.913 354 V CB 0.023 31.899 31.823 0.088 0.000 0.983 354 V HN 1.256 nan 8.190 nan 0.000 0.460 355 G N 5.030 113.869 108.800 0.066 0.000 2.860 355 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.553 355 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.553 355 G C 0.372 175.376 174.900 0.173 0.000 1.439 355 G CA 0.404 45.567 45.100 0.104 0.000 0.879 355 G HN 0.686 nan 8.290 nan 0.000 0.545 356 R N -0.936 119.648 120.500 0.141 0.000 2.064 356 R HA 0.138 4.478 4.340 -0.000 0.000 0.228 356 R C 1.932 178.230 176.300 -0.003 0.000 1.144 356 R CA 2.090 58.236 56.100 0.078 0.000 0.932 356 R CB -0.127 30.178 30.300 0.009 0.000 0.833 356 R HN 0.433 nan 8.270 nan 0.000 0.429 357 F N -0.370 119.720 119.950 0.233 0.000 2.706 357 F HA 0.299 4.826 4.527 -0.000 0.000 0.313 357 F C 0.159 176.007 175.800 0.080 0.000 1.096 357 F CA -0.370 57.712 58.000 0.138 0.000 1.219 357 F CB 0.702 39.781 39.000 0.131 0.000 1.051 357 F HN -0.012 nan 8.300 nan 0.000 0.568 358 R N -1.978 118.670 120.500 0.245 0.000 3.139 358 R HA 0.282 4.622 4.340 -0.000 0.000 0.287 358 R C -3.404 172.979 176.300 0.138 0.000 0.978 358 R CA -1.558 54.638 56.100 0.159 0.000 0.837 358 R CB -0.180 30.199 30.300 0.131 0.000 1.330 358 R HN -0.345 nan 8.270 nan 0.000 0.527 359 P HA -0.024 nan 4.420 nan 0.000 0.266 359 P C -0.321 177.006 177.300 0.045 0.000 1.195 359 P CA 0.091 63.225 63.100 0.055 0.000 0.768 359 P CB 0.850 32.561 31.700 0.018 0.000 0.838 360 S N 1.779 117.504 115.700 0.042 0.000 2.573 360 S HA -0.024 4.446 4.470 -0.000 0.000 0.277 360 S C 0.086 174.686 174.600 0.000 0.000 1.346 360 S CA -0.356 57.877 58.200 0.055 0.000 1.034 360 S CB -0.019 63.228 63.200 0.078 0.000 0.879 360 S HN 0.461 nan 8.310 nan 0.000 0.528 361 E N 3.523 123.739 120.200 0.027 0.000 2.259 361 E HA 0.374 4.724 4.350 -0.000 0.000 0.281 361 E C -2.322 174.205 176.600 -0.121 0.000 1.027 361 E CA -2.358 54.001 56.400 -0.069 0.000 0.838 361 E CB 0.831 30.506 29.700 -0.041 0.000 1.066 361 E HN 0.467 nan 8.360 nan 0.000 0.401 362 P HA 0.183 nan 4.420 nan 0.000 0.286 362 P C -1.239 175.846 177.300 -0.358 0.000 1.261 362 P CA -0.270 62.627 63.100 -0.339 0.000 0.821 362 P CB 0.971 32.252 31.700 -0.699 0.000 1.013 363 H N 2.452 121.530 119.070 0.015 0.000 2.860 363 H HA 0.299 4.855 4.556 -0.000 0.000 0.312 363 H C -0.250 175.217 175.328 0.231 0.000 0.995 363 H CA -0.291 55.867 56.048 0.182 0.000 1.311 363 H CB 0.428 30.313 29.762 0.205 0.000 1.478 363 H HN 0.298 nan 8.280 nan 0.000 0.508 364 F N 1.600 121.738 119.950 0.314 0.000 2.370 364 F HA 0.148 4.675 4.527 -0.000 0.000 0.324 364 F C 1.547 177.542 175.800 0.325 0.000 1.116 364 F CA -0.431 57.766 58.000 0.329 0.000 1.123 364 F CB 0.982 40.109 39.000 0.211 0.000 1.238 364 F HN 0.327 nan 8.300 nan 0.000 0.536 365 T N 0.070 114.928 114.554 0.506 0.000 2.899 365 T HA 0.222 4.572 4.350 -0.000 0.000 0.284 365 T C 1.278 176.163 174.700 0.308 0.000 1.004 365 T CA -0.899 61.428 62.100 0.378 0.000 1.043 365 T CB 0.905 69.981 68.868 0.346 0.000 1.013 365 T HN 0.409 nan 8.240 nan 0.000 0.518 366 L N 1.679 123.040 121.223 0.230 0.000 2.095 366 L HA -0.211 4.129 4.340 -0.000 0.000 0.229 366 L C 2.303 179.280 176.870 0.178 0.000 1.097 366 L CA 2.752 57.701 54.840 0.183 0.000 0.813 366 L CB -1.497 40.647 42.059 0.142 0.000 0.907 366 L HN 0.976 nan 8.230 nan 0.000 0.445 367 D N -1.295 119.213 120.400 0.180 0.000 2.349 367 D HA 0.028 4.668 4.640 -0.000 0.000 0.224 367 D C 1.442 177.854 176.300 0.186 0.000 1.029 367 D CA 0.791 54.888 54.000 0.161 0.000 0.879 367 D CB -0.472 40.412 40.800 0.140 0.000 0.906 367 D HN 0.404 nan 8.370 nan 0.000 0.528 368 G N 0.849 109.802 108.800 0.255 0.000 2.283 368 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.280 368 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.280 368 G C 0.701 175.808 174.900 0.345 0.000 1.029 368 G CA 0.445 45.734 45.100 0.315 0.000 0.840 368 G HN 0.405 nan 8.290 nan 0.000 0.505 369 N N -0.387 118.486 118.700 0.289 0.000 2.220 369 N HA 0.183 4.923 4.740 -0.000 0.000 0.195 369 N C 0.743 176.347 175.510 0.156 0.000 1.123 369 N CA 0.963 54.138 53.050 0.209 0.000 0.874 369 N CB 0.727 39.295 38.487 0.136 0.000 0.995 369 N HN 0.864 nan 8.380 nan 0.000 0.498 370 S N -0.229 115.584 115.700 0.189 0.000 2.570 370 S HA 0.753 5.223 4.470 -0.000 0.000 0.270 370 S C -0.993 173.607 174.600 0.000 0.000 1.149 370 S CA -0.937 57.211 58.200 -0.085 0.000 0.837 370 S CB 1.774 64.850 63.200 -0.207 0.000 1.124 370 S HN 0.115 nan 8.310 nan 0.000 0.465 371 F N -1.711 118.045 119.950 -0.323 0.000 2.711 371 F HA 0.849 5.376 4.527 -0.000 0.000 0.313 371 F C -2.306 173.318 175.800 -0.294 0.000 1.141 371 F CA -1.622 56.159 58.000 -0.365 0.000 0.941 371 F CB 0.575 38.959 39.000 -1.027 0.000 1.349 371 F HN 0.593 nan 8.300 nan 0.000 0.464 372 Y N 0.998 121.477 120.300 0.297 0.000 2.393 372 Y HA 0.731 5.281 4.550 -0.000 0.000 0.341 372 Y C -0.235 175.863 175.900 0.330 0.000 0.988 372 Y CA -0.917 57.343 58.100 0.266 0.000 1.078 372 Y CB 2.232 40.785 38.460 0.154 0.000 1.203 372 Y HN 0.529 nan 8.280 nan 0.000 0.453 373 K N 2.672 123.331 120.400 0.433 0.000 2.482 373 K HA 0.625 4.945 4.320 -0.000 0.000 0.257 373 K C -1.414 175.339 176.600 0.255 0.000 0.969 373 K CA -0.798 55.679 56.287 0.317 0.000 0.842 373 K CB 2.478 35.121 32.500 0.239 0.000 1.359 373 K HN 0.577 nan 8.250 nan 0.000 0.441 374 I N 4.684 125.374 120.570 0.199 0.000 2.315 374 I HA 0.392 4.562 4.170 -0.000 0.000 0.291 374 I C -0.077 176.133 176.117 0.155 0.000 1.006 374 I CA -0.600 60.795 61.300 0.159 0.000 1.265 374 I CB 0.628 38.702 38.000 0.122 0.000 1.387 374 I HN 0.501 nan 8.210 nan 0.000 0.475 375 I N 2.591 123.281 120.570 0.199 0.000 2.913 375 I HA 0.499 4.669 4.170 -0.000 0.000 0.302 375 I C -0.185 176.050 176.117 0.195 0.000 1.246 375 I CA -0.761 60.648 61.300 0.182 0.000 1.010 375 I CB 2.385 40.509 38.000 0.206 0.000 1.259 375 I HN 0.512 nan 8.210 nan 0.000 0.434 376 S N 3.333 119.078 115.700 0.075 0.000 2.528 376 S HA 0.256 4.726 4.470 -0.000 0.000 0.277 376 S C 0.001 174.627 174.600 0.042 0.000 1.297 376 S CA -0.670 57.515 58.200 -0.025 0.000 1.052 376 S CB 0.103 63.220 63.200 -0.139 0.000 0.917 376 S HN 0.891 nan 8.310 nan 0.000 0.492 377 N N 2.355 120.969 118.700 -0.142 0.000 2.328 377 N HA 0.116 4.856 4.740 -0.000 0.000 0.277 377 N C 0.225 175.670 175.510 -0.108 0.000 1.286 377 N CA -0.769 52.113 53.050 -0.279 0.000 0.949 377 N CB 0.287 38.254 38.487 -0.867 0.000 1.136 377 N HN 0.567 nan 8.380 nan 0.000 0.550 378 E N -0.247 119.898 120.200 -0.092 0.000 2.347 378 E HA -0.101 4.249 4.350 -0.000 0.000 0.196 378 E C 0.993 177.560 176.600 -0.055 0.000 1.008 378 E CA 0.715 57.087 56.400 -0.047 0.000 0.852 378 E CB -0.235 29.448 29.700 -0.028 0.000 0.783 378 E HN 0.576 nan 8.360 nan 0.000 0.505 379 E N -0.115 120.049 120.200 -0.059 0.000 2.435 379 E HA 0.005 4.355 4.350 -0.000 0.000 0.195 379 E C 0.891 177.511 176.600 0.034 0.000 1.029 379 E CA 0.577 56.989 56.400 0.020 0.000 0.865 379 E CB 0.319 30.047 29.700 0.048 0.000 0.833 379 E HN 0.344 nan 8.360 nan 0.000 0.510 380 G N 0.482 109.231 108.800 -0.084 0.000 2.157 380 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.239 380 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.239 380 G C -0.222 174.407 174.900 -0.451 0.000 0.982 380 G CA 0.168 45.108 45.100 -0.267 0.000 0.650 380 G HN 0.175 nan 8.290 nan 0.000 0.527 381 Y N 0.455 120.603 120.300 -0.254 0.000 2.342 381 Y HA 0.657 5.207 4.550 -0.000 0.000 0.334 381 Y C 1.178 176.843 175.900 -0.392 0.000 1.067 381 Y CA -0.869 57.037 58.100 -0.323 0.000 1.128 381 Y CB 0.968 39.232 38.460 -0.328 0.000 1.200 381 Y HN 0.074 nan 8.280 nan 0.000 0.464 382 R N 3.585 123.876 120.500 -0.349 0.000 2.248 382 R HA 0.276 4.616 4.340 -0.000 0.000 0.328 382 R C -0.816 175.148 176.300 -0.559 0.000 1.067 382 R CA -0.108 55.812 56.100 -0.300 0.000 0.924 382 R CB 0.121 30.320 30.300 -0.170 0.000 1.013 382 R HN 0.648 nan 8.270 nan 0.000 0.454 383 H N 1.852 120.860 119.070 -0.102 0.000 2.946 383 H HA 0.349 4.905 4.556 -0.000 0.000 0.365 383 H C -0.126 175.263 175.328 0.101 0.000 1.197 383 H CA -0.924 55.047 56.048 -0.128 0.000 1.131 383 H CB 1.662 31.231 29.762 -0.321 0.000 1.849 383 H HN 0.338 nan 8.280 nan 0.000 0.555 384 I N 2.358 123.017 120.570 0.149 0.000 2.416 384 I HA 0.114 4.284 4.170 -0.000 0.000 0.288 384 I C 0.732 176.912 176.117 0.106 0.000 1.051 384 I CA -0.277 61.087 61.300 0.106 0.000 1.375 384 I CB 0.157 38.135 38.000 -0.037 0.000 1.407 384 I HN 0.394 nan 8.210 nan 0.000 0.516 385 c N 5.305 123.898 118.600 -0.011 0.000 2.634 385 c HA 0.532 5.102 4.570 -0.000 0.000 0.313 385 c C -0.405 173.533 174.090 -0.254 0.000 1.198 385 c CA -1.024 55.096 56.329 -0.348 0.000 1.605 385 c CB 1.188 43.022 42.510 -1.127 0.000 2.196 385 c HN 0.710 nan 8.230 nan 0.000 0.486 386 Y N 2.263 122.238 120.300 -0.540 0.000 2.336 386 Y HA 0.662 5.212 4.550 -0.000 0.000 0.335 386 Y C -0.916 174.511 175.900 -0.789 0.000 1.046 386 Y CA -1.092 56.611 58.100 -0.661 0.000 1.198 386 Y CB 0.324 38.474 38.460 -0.515 0.000 1.182 386 Y HN 0.735 nan 8.280 nan 0.000 0.502 387 F N 3.571 122.807 119.950 -1.189 0.000 2.492 387 F HA 0.444 4.971 4.527 -0.000 0.000 0.327 387 F C -0.272 174.753 175.800 -1.291 0.000 1.079 387 F CA -0.870 56.354 58.000 -1.294 0.000 0.967 387 F CB 1.783 39.614 39.000 -1.948 0.000 1.169 387 F HN 0.298 nan 8.300 nan 0.000 0.472 388 Q N 2.554 122.000 119.800 -0.591 0.000 2.333 388 Q HA 0.354 4.694 4.340 -0.000 0.000 0.265 388 Q C 1.135 177.082 176.000 -0.089 0.000 0.989 388 Q CA -0.311 55.265 55.803 -0.379 0.000 0.842 388 Q CB 1.389 29.966 28.738 -0.268 0.000 1.262 388 Q HN 0.697 nan 8.270 nan 0.000 0.451 389 I N 0.263 120.856 120.570 0.039 0.000 2.227 389 I HA -0.286 3.884 4.170 -0.000 0.000 0.250 389 I C 0.705 176.983 176.117 0.269 0.000 1.087 389 I CA 1.876 63.356 61.300 0.300 0.000 1.352 389 I CB -0.104 38.080 38.000 0.306 0.000 1.043 389 I HN 0.563 nan 8.210 nan 0.000 0.425 390 D N 0.829 121.301 120.400 0.119 0.000 2.643 390 D HA 0.173 4.813 4.640 -0.000 0.000 0.244 390 D C -0.035 176.279 176.300 0.024 0.000 1.257 390 D CA -0.270 53.760 54.000 0.051 0.000 0.831 390 D CB 0.298 41.113 40.800 0.026 0.000 1.043 390 D HN 0.319 nan 8.370 nan 0.000 0.488 391 K N 1.329 121.769 120.400 0.066 0.000 2.640 391 K HA 0.143 4.463 4.320 -0.000 0.000 0.245 391 K C 0.713 177.370 176.600 0.094 0.000 0.962 391 K CA -0.552 55.746 56.287 0.018 0.000 0.896 391 K CB 1.861 34.326 32.500 -0.058 0.000 1.147 391 K HN -0.216 nan 8.250 nan 0.000 0.445 392 K N 0.469 120.903 120.400 0.058 0.000 2.160 392 K HA -0.098 4.222 4.320 -0.000 0.000 0.206 392 K C 0.210 176.874 176.600 0.106 0.000 1.047 392 K CA 1.348 57.705 56.287 0.116 0.000 0.930 392 K CB 0.080 32.597 32.500 0.028 0.000 0.720 392 K HN 0.549 nan 8.250 nan 0.000 0.450 393 D N 0.691 121.067 120.400 -0.040 0.000 2.198 393 D HA 0.101 4.741 4.640 -0.000 0.000 0.245 393 D C 0.332 176.396 176.300 -0.394 0.000 1.079 393 D CA -0.323 53.577 54.000 -0.168 0.000 0.854 393 D CB 1.441 42.161 40.800 -0.134 0.000 1.148 393 D HN 0.164 nan 8.370 nan 0.000 0.456 394 c N 0.612 118.788 118.600 -0.706 0.000 2.345 394 c HA 0.774 5.344 4.570 -0.000 0.000 0.370 394 c C 0.265 173.920 174.090 -0.724 0.000 1.209 394 c CA -0.469 55.206 56.329 -1.089 0.000 2.133 394 c CB 1.016 42.200 42.510 -2.210 0.000 2.293 394 c HN 0.491 nan 8.230 nan 0.000 0.544 395 T N 2.151 116.334 114.554 -0.618 0.000 2.786 395 T HA 0.462 4.812 4.350 -0.000 0.000 0.283 395 T C -0.711 173.761 174.700 -0.380 0.000 0.992 395 T CA 0.142 62.027 62.100 -0.358 0.000 0.954 395 T CB 0.318 69.118 68.868 -0.113 0.000 0.934 395 T HN 0.487 nan 8.240 nan 0.000 0.440 396 F N 3.591 123.415 119.950 -0.209 0.000 2.504 396 F HA 0.247 4.774 4.527 -0.000 0.000 0.369 396 F C 1.629 177.250 175.800 -0.297 0.000 1.082 396 F CA -0.939 56.924 58.000 -0.229 0.000 1.216 396 F CB 0.391 39.266 39.000 -0.209 0.000 1.108 396 F HN 0.570 nan 8.300 nan 0.000 0.554 397 I N -0.770 119.677 120.570 -0.205 0.000 4.057 397 I HA 0.207 4.377 4.170 -0.000 0.000 0.334 397 I C 0.201 176.158 176.117 -0.267 0.000 1.308 397 I CA 0.023 61.016 61.300 -0.511 0.000 1.125 397 I CB -0.010 37.364 38.000 -1.043 0.000 1.034 397 I HN 0.451 nan 8.210 nan 0.000 0.401 398 T N -1.330 113.093 114.554 -0.220 0.000 2.888 398 T HA 0.429 4.779 4.350 -0.000 0.000 0.284 398 T C 0.295 174.584 174.700 -0.684 0.000 1.017 398 T CA -0.756 61.183 62.100 -0.269 0.000 1.022 398 T CB 2.597 71.372 68.868 -0.155 0.000 1.013 398 T HN 0.093 nan 8.240 nan 0.000 0.465 399 K N 0.889 121.038 120.400 -0.420 0.000 2.616 399 K HA 0.055 4.375 4.320 -0.000 0.000 0.318 399 K C 1.465 177.484 176.600 -0.968 0.000 0.677 399 K CA 1.391 57.413 56.287 -0.441 0.000 0.846 399 K CB -0.744 31.933 32.500 0.296 0.000 0.294 399 K HN 0.818 nan 8.250 nan 0.000 1.052 400 G N -0.936 107.491 108.800 -0.622 0.000 2.542 400 G HA2 0.013 3.973 3.960 -0.000 0.000 0.208 400 G HA3 0.013 3.973 3.960 -0.000 0.000 0.208 400 G C -0.396 174.033 174.900 -0.785 0.000 1.976 400 G CA -0.254 44.479 45.100 -0.612 0.000 0.722 400 G HN 0.462 nan 8.290 nan 0.000 0.798 401 T N 2.257 116.433 114.554 -0.630 0.000 4.475 401 T HA 0.359 4.709 4.350 -0.000 0.000 0.254 401 T C -0.623 174.018 174.700 -0.098 0.000 1.160 401 T CA 0.040 61.684 62.100 -0.760 0.000 1.091 401 T CB -1.257 67.360 68.868 -0.417 0.000 1.377 401 T HN 0.478 nan 8.240 nan 0.000 1.057 402 W N -0.365 120.885 121.300 -0.082 0.000 2.804 402 W HA 0.504 5.164 4.660 -0.000 0.000 0.420 402 W C -1.512 175.026 176.519 0.032 0.000 1.049 402 W CA -0.963 56.410 57.345 0.047 0.000 1.133 402 W CB 0.623 30.076 29.460 -0.011 0.000 1.478 402 W HN 0.079 nan 8.180 nan 0.000 0.581 403 E N 0.568 120.924 120.200 0.260 0.000 2.367 403 E HA 0.468 4.818 4.350 -0.000 0.000 0.273 403 E C -1.375 175.314 176.600 0.147 0.000 0.903 403 E CA -1.166 55.184 56.400 -0.084 0.000 0.764 403 E CB 3.354 33.041 29.700 -0.020 0.000 1.252 403 E HN 0.156 nan 8.360 nan 0.000 0.446 404 V N 3.410 123.298 119.914 -0.043 0.000 2.461 404 V HA 0.016 4.136 4.120 -0.000 0.000 0.275 404 V C 1.203 177.376 176.094 0.132 0.000 1.047 404 V CA -0.083 62.293 62.300 0.126 0.000 0.955 404 V CB 0.653 32.460 31.823 -0.027 0.000 0.988 404 V HN 0.677 nan 8.190 nan 0.000 0.471 405 I N 3.456 124.125 120.570 0.164 0.000 2.286 405 I HA 0.186 4.356 4.170 -0.000 0.000 0.245 405 I C 1.142 177.369 176.117 0.184 0.000 1.104 405 I CA 1.274 62.665 61.300 0.153 0.000 1.397 405 I CB -0.979 37.034 38.000 0.021 0.000 1.072 405 I HN 0.755 nan 8.210 nan 0.000 0.417 406 G N 0.227 109.132 108.800 0.175 0.000 2.579 406 G HA2 0.520 4.480 3.960 -0.000 0.000 0.292 406 G HA3 0.520 4.480 3.960 -0.000 0.000 0.292 406 G C -1.369 173.619 174.900 0.146 0.000 1.484 406 G CA -0.619 44.583 45.100 0.170 0.000 0.813 406 G HN -0.042 nan 8.290 nan 0.000 0.515 407 I N 1.405 122.012 120.570 0.062 0.000 2.342 407 I HA 0.283 4.453 4.170 -0.000 0.000 0.291 407 I C 0.776 176.835 176.117 -0.097 0.000 1.010 407 I CA -0.595 60.643 61.300 -0.103 0.000 1.308 407 I CB 1.800 39.515 38.000 -0.476 0.000 1.400 407 I HN 0.484 nan 8.210 nan 0.000 0.488 408 E N 4.703 124.892 120.200 -0.019 0.000 2.162 408 E HA 0.307 4.657 4.350 -0.000 0.000 0.193 408 E C 0.182 176.692 176.600 -0.150 0.000 0.953 408 E CA 0.346 56.756 56.400 0.018 0.000 0.849 408 E CB 0.508 30.306 29.700 0.163 0.000 0.810 408 E HN 0.665 nan 8.360 nan 0.000 0.470 409 A N 0.515 123.163 122.820 -0.286 0.000 2.594 409 A HA 0.661 4.981 4.320 -0.000 0.000 0.295 409 A C -1.633 175.853 177.584 -0.164 0.000 1.071 409 A CA -0.573 51.227 52.037 -0.394 0.000 0.685 409 A CB 1.475 19.758 19.000 -1.196 0.000 1.285 409 A HN 0.091 nan 8.150 nan 0.000 0.405 410 L N 2.246 123.410 121.223 -0.098 0.000 2.439 410 L HA 0.728 5.068 4.340 -0.000 0.000 0.270 410 L C -0.236 176.646 176.870 0.019 0.000 0.972 410 L CA -0.136 54.679 54.840 -0.042 0.000 0.836 410 L CB 2.100 44.160 42.059 0.002 0.000 1.255 410 L HN 1.151 nan 8.230 nan 0.000 0.404 411 T N -0.966 113.614 114.554 0.043 0.000 2.858 411 T HA 0.313 4.663 4.350 -0.000 0.000 0.285 411 T C 1.134 175.869 174.700 0.059 0.000 1.052 411 T CA 0.061 62.204 62.100 0.071 0.000 1.009 411 T CB 1.578 70.519 68.868 0.122 0.000 1.241 411 T HN 0.578 nan 8.240 nan 0.000 0.542 412 S N -0.073 115.665 115.700 0.062 0.000 2.382 412 S HA -0.135 4.335 4.470 -0.000 0.000 0.228 412 S C 1.250 175.846 174.600 -0.007 0.000 1.027 412 S CA 1.181 59.406 58.200 0.042 0.000 0.991 412 S CB -0.718 62.509 63.200 0.045 0.000 0.823 412 S HN 0.706 nan 8.310 nan 0.000 0.469 413 D N 0.555 120.959 120.400 0.007 0.000 2.087 413 D HA 0.134 4.774 4.640 -0.000 0.000 0.201 413 D C 0.130 176.247 176.300 -0.306 0.000 0.980 413 D CA 1.192 55.136 54.000 -0.094 0.000 0.849 413 D CB 0.009 40.902 40.800 0.155 0.000 1.001 413 D HN 0.425 nan 8.370 nan 0.000 0.452 414 Y N -0.986 119.227 120.300 -0.145 0.000 2.686 414 Y HA 0.551 5.101 4.550 -0.000 0.000 0.330 414 Y C -0.254 175.433 175.900 -0.356 0.000 1.082 414 Y CA -1.014 56.907 58.100 -0.298 0.000 1.158 414 Y CB 1.501 39.635 38.460 -0.545 0.000 1.333 414 Y HN -0.219 nan 8.280 nan 0.000 0.519 415 L N 1.186 122.256 121.223 -0.255 0.000 2.404 415 L HA 0.554 4.894 4.340 -0.000 0.000 0.272 415 L C -2.009 174.696 176.870 -0.276 0.000 0.980 415 L CA -0.552 54.116 54.840 -0.287 0.000 0.836 415 L CB 0.837 42.651 42.059 -0.409 0.000 1.238 415 L HN 0.556 nan 8.230 nan 0.000 0.408 416 Y N 4.643 124.847 120.300 -0.160 0.000 2.334 416 Y HA 0.564 5.114 4.550 -0.000 0.000 0.328 416 Y C -0.295 175.601 175.900 -0.005 0.000 1.130 416 Y CA -0.241 57.777 58.100 -0.138 0.000 1.163 416 Y CB 1.213 39.498 38.460 -0.291 0.000 1.207 416 Y HN 0.538 nan 8.280 nan 0.000 0.471 417 Y N -0.246 120.111 120.300 0.095 0.000 2.638 417 Y HA 0.782 5.332 4.550 -0.000 0.000 0.335 417 Y C -1.816 174.167 175.900 0.137 0.000 1.155 417 Y CA -1.924 56.222 58.100 0.078 0.000 1.046 417 Y CB 1.071 39.554 38.460 0.039 0.000 1.303 417 Y HN 0.444 nan 8.280 nan 0.000 0.460 418 I N 2.920 123.652 120.570 0.269 0.000 2.493 418 I HA 0.694 4.864 4.170 -0.000 0.000 0.298 418 I C -0.405 175.893 176.117 0.302 0.000 0.998 418 I CA -0.529 60.873 61.300 0.170 0.000 1.137 418 I CB 2.119 40.169 38.000 0.082 0.000 1.310 418 I HN 0.919 nan 8.210 nan 0.000 0.445 419 S N 2.940 118.780 115.700 0.234 0.000 2.643 419 S HA 0.372 4.842 4.470 -0.000 0.000 0.270 419 S C -0.796 173.857 174.600 0.088 0.000 1.166 419 S CA -0.887 57.448 58.200 0.224 0.000 0.815 419 S CB 1.666 65.074 63.200 0.345 0.000 1.139 419 S HN 0.648 nan 8.310 nan 0.000 0.472 420 N N -0.378 118.369 118.700 0.079 0.000 2.389 420 N HA 0.180 4.920 4.740 -0.000 0.000 0.260 420 N C 0.490 175.984 175.510 -0.027 0.000 1.191 420 N CA -0.355 52.694 53.050 -0.000 0.000 0.885 420 N CB 0.342 38.797 38.487 -0.055 0.000 1.162 420 N HN 0.795 nan 8.380 nan 0.000 0.512 421 E N -0.063 119.980 120.200 -0.262 0.000 2.047 421 E HA -0.184 4.166 4.350 -0.000 0.000 0.191 421 E C -0.350 176.085 176.600 -0.275 0.000 0.987 421 E CA 0.314 56.276 56.400 -0.729 0.000 0.799 421 E CB -0.067 28.581 29.700 -1.753 0.000 0.752 421 E HN 0.376 nan 8.360 nan 0.000 0.449 422 Y N 1.605 121.804 120.300 -0.168 0.000 2.969 422 Y HA -0.202 4.348 4.550 -0.000 0.000 0.339 422 Y C 0.807 176.667 175.900 -0.066 0.000 1.272 422 Y CA 1.012 59.070 58.100 -0.070 0.000 1.577 422 Y CB 0.211 38.657 38.460 -0.022 0.000 1.234 422 Y HN 0.113 nan 8.280 nan 0.000 0.590 423 K N 2.823 122.885 120.400 -0.562 0.000 3.548 423 K HA -0.257 4.063 4.320 -0.000 0.000 0.303 423 K C 0.757 177.273 176.600 -0.139 0.000 1.234 423 K CA 1.743 57.790 56.287 -0.399 0.000 1.024 423 K CB -1.603 30.655 32.500 -0.403 0.000 1.306 423 K HN 1.503 nan 8.250 nan 0.000 0.423 424 G N 0.267 109.005 108.800 -0.104 0.000 2.182 424 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.248 424 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.248 424 G C -0.090 174.806 174.900 -0.007 0.000 1.042 424 G CA 0.475 45.565 45.100 -0.016 0.000 0.775 424 G HN 0.475 nan 8.290 nan 0.000 0.501 425 M N -1.304 118.207 119.600 -0.148 0.000 2.078 425 M HA 0.525 5.005 4.480 -0.000 0.000 0.320 425 M C -1.630 174.391 176.300 -0.465 0.000 0.969 425 M CA -2.351 52.646 55.300 -0.505 0.000 0.929 425 M CB 2.227 34.538 32.600 -0.482 0.000 1.504 425 M HN -0.097 nan 8.290 nan 0.000 0.419 426 P HA -0.086 nan 4.420 nan 0.000 0.221 426 P C 1.156 178.284 177.300 -0.286 0.000 1.145 426 P CA 1.707 64.620 63.100 -0.313 0.000 0.795 426 P CB 0.009 31.559 31.700 -0.251 0.000 0.775 427 G N -0.533 108.035 108.800 -0.386 0.000 2.985 427 G HA2 0.199 4.159 3.960 -0.000 0.000 0.209 427 G HA3 0.199 4.159 3.960 -0.000 0.000 0.209 427 G C 0.796 175.681 174.900 -0.025 0.000 1.165 427 G CA 0.200 45.209 45.100 -0.151 0.000 0.776 427 G HN 0.442 nan 8.290 nan 0.000 0.541 428 G N -0.502 108.226 108.800 -0.120 0.000 2.462 428 G HA2 0.605 4.565 3.960 -0.000 0.000 0.319 428 G HA3 0.605 4.565 3.960 -0.000 0.000 0.319 428 G C -0.803 173.993 174.900 -0.173 0.000 1.171 428 G CA -0.892 44.183 45.100 -0.041 0.000 0.920 428 G HN 0.276 nan 8.290 nan 0.000 0.499 429 R N 0.512 120.898 120.500 -0.191 0.000 2.522 429 R HA 0.368 4.708 4.340 -0.000 0.000 0.283 429 R C -1.328 174.930 176.300 -0.070 0.000 1.074 429 R CA -0.631 55.297 56.100 -0.287 0.000 0.925 429 R CB 1.266 31.080 30.300 -0.810 0.000 1.205 429 R HN 0.590 nan 8.270 nan 0.000 0.436 430 N N 2.693 121.371 118.700 -0.037 0.000 2.416 430 N HA 0.351 5.091 4.740 -0.000 0.000 0.276 430 N C -1.823 173.578 175.510 -0.183 0.000 1.261 430 N CA -0.713 52.249 53.050 -0.147 0.000 0.790 430 N CB 2.050 40.354 38.487 -0.306 0.000 1.554 430 N HN 0.328 nan 8.380 nan 0.000 0.481 431 L N 1.985 122.945 121.223 -0.439 0.000 2.275 431 L HA 0.507 4.847 4.340 -0.000 0.000 0.288 431 L C -1.465 175.035 176.870 -0.617 0.000 1.046 431 L CA -0.041 54.564 54.840 -0.392 0.000 0.805 431 L CB -0.116 41.706 42.059 -0.395 0.000 1.193 431 L HN 0.417 nan 8.230 nan 0.000 0.426 432 Y N 3.435 123.380 120.300 -0.592 0.000 2.576 432 Y HA 0.646 5.196 4.550 -0.000 0.000 0.346 432 Y C -0.499 175.052 175.900 -0.582 0.000 1.018 432 Y CA -0.899 56.796 58.100 -0.674 0.000 1.050 432 Y CB 1.779 39.611 38.460 -1.047 0.000 1.280 432 Y HN 0.566 nan 8.280 nan 0.000 0.474 433 K N 1.999 122.257 120.400 -0.235 0.000 2.468 433 K HA 0.737 5.057 4.320 -0.000 0.000 0.252 433 K C -1.963 174.624 176.600 -0.023 0.000 0.932 433 K CA -0.699 55.393 56.287 -0.324 0.000 0.794 433 K CB 2.712 34.777 32.500 -0.726 0.000 1.241 433 K HN 0.765 nan 8.250 nan 0.000 0.428 434 I N 2.102 122.727 120.570 0.092 0.000 2.474 434 I HA 0.182 4.352 4.170 -0.000 0.000 0.294 434 I C -0.669 175.537 176.117 0.148 0.000 1.005 434 I CA -0.799 60.615 61.300 0.190 0.000 1.113 434 I CB 2.011 40.132 38.000 0.201 0.000 1.289 434 I HN 0.884 nan 8.210 nan 0.000 0.436 435 Q N 5.435 125.277 119.800 0.070 0.000 2.281 435 Q HA 0.083 4.423 4.340 -0.000 0.000 0.267 435 Q C 0.132 176.024 176.000 -0.180 0.000 1.053 435 Q CA -0.467 55.144 55.803 -0.319 0.000 0.905 435 Q CB 1.152 29.737 28.738 -0.255 0.000 1.195 435 Q HN 0.779 nan 8.270 nan 0.000 0.398 436 L N 3.217 124.286 121.223 -0.256 0.000 2.187 436 L HA -0.184 4.156 4.340 -0.000 0.000 0.213 436 L C 2.156 178.918 176.870 -0.181 0.000 1.100 436 L CA 1.921 56.696 54.840 -0.109 0.000 0.765 436 L CB -0.702 41.280 42.059 -0.129 0.000 0.904 436 L HN 0.776 nan 8.230 nan 0.000 0.437 437 S N -2.872 112.679 115.700 -0.247 0.000 2.528 437 S HA 0.080 4.550 4.470 -0.000 0.000 0.219 437 S C 0.423 174.825 174.600 -0.330 0.000 0.985 437 S CA 0.069 58.114 58.200 -0.258 0.000 0.914 437 S CB 0.123 63.207 63.200 -0.192 0.000 0.776 437 S HN 0.381 nan 8.310 nan 0.000 0.526 438 D N -0.120 120.078 120.400 -0.336 0.000 2.318 438 D HA 0.244 4.884 4.640 -0.000 0.000 0.233 438 D C -0.488 175.712 176.300 -0.168 0.000 1.348 438 D CA -0.577 53.237 54.000 -0.309 0.000 0.983 438 D CB 0.076 40.774 40.800 -0.170 0.000 1.416 438 D HN -0.041 nan 8.370 nan 0.000 0.558 439 Y N 1.107 121.377 120.300 -0.049 0.000 2.651 439 Y HA -0.052 4.498 4.550 -0.000 0.000 0.296 439 Y C 2.452 178.351 175.900 -0.002 0.000 1.150 439 Y CA 1.307 59.392 58.100 -0.026 0.000 1.348 439 Y CB -1.028 37.416 38.460 -0.025 0.000 0.983 439 Y HN 0.443 nan 8.280 nan 0.000 0.555 440 T N -3.345 111.260 114.554 0.086 0.000 3.088 440 T HA 0.018 4.368 4.350 -0.000 0.000 0.259 440 T C 0.667 175.405 174.700 0.064 0.000 1.122 440 T CA 0.134 62.273 62.100 0.065 0.000 1.095 440 T CB -0.017 68.864 68.868 0.021 0.000 0.930 440 T HN -0.148 nan 8.240 nan 0.000 0.508 441 K N 2.515 122.952 120.400 0.063 0.000 2.244 441 K HA 0.559 4.879 4.320 -0.000 0.000 0.263 441 K C -1.126 175.546 176.600 0.120 0.000 1.103 441 K CA -0.443 55.887 56.287 0.072 0.000 0.966 441 K CB 1.083 33.609 32.500 0.043 0.000 1.429 441 K HN 0.167 nan 8.250 nan 0.000 0.434 442 V N 2.314 122.303 119.914 0.124 0.000 2.448 442 V HA 0.398 4.518 4.120 -0.000 0.000 0.295 442 V C -0.162 176.004 176.094 0.121 0.000 1.025 442 V CA -0.660 61.734 62.300 0.156 0.000 0.859 442 V CB 2.087 34.021 31.823 0.185 0.000 0.988 442 V HN 0.580 nan 8.190 nan 0.000 0.431 443 T N 3.114 117.717 114.554 0.080 0.000 2.812 443 T HA 0.223 4.573 4.350 -0.000 0.000 0.282 443 T C -0.449 174.175 174.700 -0.127 0.000 0.990 443 T CA -0.298 61.793 62.100 -0.016 0.000 0.960 443 T CB 1.269 70.095 68.868 -0.071 0.000 0.948 443 T HN 0.751 nan 8.240 nan 0.000 0.438 444 C N 6.313 125.458 119.300 -0.258 0.000 2.289 444 C HA 0.295 4.755 4.460 -0.000 0.000 0.340 444 C C 1.561 176.208 174.990 -0.571 0.000 1.152 444 C CA -0.774 57.804 59.018 -0.734 0.000 1.650 444 C CB -2.041 25.134 27.740 -0.941 0.000 2.203 444 C HN 0.805 nan 8.230 nan 0.000 0.511 445 L N 5.151 126.053 121.223 -0.535 0.000 2.551 445 L HA 0.023 4.363 4.340 -0.000 0.000 0.228 445 L C 2.254 178.828 176.870 -0.493 0.000 1.153 445 L CA 1.592 56.189 54.840 -0.404 0.000 0.851 445 L CB -1.285 40.583 42.059 -0.318 0.000 0.959 445 L HN 0.938 nan 8.230 nan 0.000 0.451 446 S N -4.018 111.270 115.700 -0.686 0.000 2.631 446 S HA -0.028 4.441 4.470 -0.000 0.000 0.246 446 S C 2.020 176.206 174.600 -0.690 0.000 1.068 446 S CA 0.212 57.912 58.200 -0.833 0.000 0.995 446 S CB -0.394 61.954 63.200 -1.419 0.000 0.944 446 S HN 0.266 nan 8.310 nan 0.000 0.529 447 C N 2.186 121.039 119.300 -0.745 0.000 2.369 447 C HA -0.090 4.370 4.460 -0.000 0.000 0.273 447 C C 2.587 177.260 174.990 -0.528 0.000 1.172 447 C CA 1.806 60.297 59.018 -0.878 0.000 1.791 447 C CB -1.162 25.817 27.740 -1.268 0.000 2.086 447 C HN 0.640 nan 8.230 nan 0.000 0.459 448 E N -0.149 119.839 120.200 -0.353 0.000 2.472 448 E HA 0.163 4.513 4.350 -0.000 0.000 0.196 448 E C 1.930 178.476 176.600 -0.090 0.000 1.033 448 E CA -0.018 56.285 56.400 -0.161 0.000 0.886 448 E CB -0.256 29.371 29.700 -0.122 0.000 0.944 448 E HN 0.565 nan 8.360 nan 0.000 0.492 449 L N 0.319 121.479 121.223 -0.105 0.000 2.013 449 L HA -0.156 4.184 4.340 -0.000 0.000 0.212 449 L C 1.074 177.955 176.870 0.018 0.000 1.073 449 L CA 1.138 55.963 54.840 -0.025 0.000 0.753 449 L CB -0.133 41.927 42.059 0.002 0.000 0.890 449 L HN 0.127 nan 8.230 nan 0.000 0.432 450 N N -1.591 117.134 118.700 0.042 0.000 2.805 450 N HA 0.069 4.809 4.740 -0.000 0.000 0.216 450 N C -2.061 173.480 175.510 0.051 0.000 1.447 450 N CA -0.709 52.365 53.050 0.039 0.000 0.785 450 N CB 0.639 39.148 38.487 0.036 0.000 1.458 450 N HN -0.145 nan 8.380 nan 0.000 0.547 451 P HA -0.191 nan 4.420 nan 0.000 0.219 451 P C 0.880 178.232 177.300 0.086 0.000 1.145 451 P CA 1.174 64.329 63.100 0.092 0.000 0.813 451 P CB 0.652 32.419 31.700 0.111 0.000 0.771 452 E N -0.134 120.096 120.200 0.050 0.000 2.190 452 E HA -0.070 4.280 4.350 -0.000 0.000 0.191 452 E C 2.142 178.749 176.600 0.012 0.000 0.978 452 E CA 0.427 56.846 56.400 0.033 0.000 0.839 452 E CB 0.045 29.756 29.700 0.019 0.000 0.787 452 E HN 0.193 nan 8.360 nan 0.000 0.473 453 R N -0.953 119.545 120.500 -0.004 0.000 2.254 453 R HA 0.153 4.493 4.340 -0.000 0.000 0.193 453 R C -0.218 176.045 176.300 -0.061 0.000 0.929 453 R CA 0.304 56.380 56.100 -0.041 0.000 1.038 453 R CB 0.483 30.747 30.300 -0.059 0.000 1.009 453 R HN 0.006 nan 8.270 nan 0.000 0.512 454 c N 1.168 119.748 118.600 -0.033 0.000 2.344 454 c HA 0.431 5.001 4.570 -0.000 0.000 0.326 454 c C -0.103 174.007 174.090 0.033 0.000 1.201 454 c CA -0.650 55.616 56.329 -0.104 0.000 1.410 454 c CB 1.341 43.750 42.510 -0.169 0.000 2.070 454 c HN 0.494 nan 8.230 nan 0.000 0.445 455 Q N 0.693 120.504 119.800 0.019 0.000 2.057 455 Q HA 0.219 4.559 4.340 -0.000 0.000 0.216 455 Q C -1.133 174.964 176.000 0.162 0.000 0.788 455 Q CA -0.001 55.884 55.803 0.137 0.000 1.053 455 Q CB 1.316 30.137 28.738 0.139 0.000 1.210 455 Q HN 0.800 nan 8.270 nan 0.000 0.455 456 Y N 0.204 120.448 120.300 -0.095 0.000 2.294 456 Y HA 0.352 4.902 4.550 -0.000 0.000 0.329 456 Y C -1.788 174.000 175.900 -0.185 0.000 1.135 456 Y CA -0.909 57.145 58.100 -0.076 0.000 1.213 456 Y CB 0.823 39.228 38.460 -0.092 0.000 1.141 456 Y HN -0.039 nan 8.280 nan 0.000 0.446 457 Y N 2.222 122.471 120.300 -0.085 0.000 2.587 457 Y HA 0.726 5.276 4.550 -0.000 0.000 0.337 457 Y C 0.170 176.025 175.900 -0.075 0.000 1.065 457 Y CA -0.663 57.396 58.100 -0.067 0.000 1.126 457 Y CB 2.395 40.780 38.460 -0.125 0.000 1.279 457 Y HN 0.492 nan 8.280 nan 0.000 0.489 458 S N 0.506 116.291 115.700 0.142 0.000 2.595 458 S HA 0.859 5.329 4.470 -0.000 0.000 0.281 458 S C -1.772 172.886 174.600 0.097 0.000 1.117 458 S CA -0.706 57.554 58.200 0.101 0.000 0.873 458 S CB 1.822 65.088 63.200 0.109 0.000 1.108 458 S HN 0.679 nan 8.310 nan 0.000 0.477 459 V N 0.441 120.410 119.914 0.092 0.000 3.049 459 V HA 0.875 4.995 4.120 -0.000 0.000 0.309 459 V C -1.265 174.896 176.094 0.110 0.000 1.148 459 V CA -0.203 62.126 62.300 0.050 0.000 0.990 459 V CB 2.321 34.099 31.823 -0.076 0.000 1.039 459 V HN 1.218 nan 8.190 nan 0.000 0.430 460 S N 4.573 120.329 115.700 0.094 0.000 2.652 460 S HA 0.603 5.073 4.470 -0.000 0.000 0.252 460 S C -0.916 173.783 174.600 0.164 0.000 1.219 460 S CA -0.434 57.906 58.200 0.233 0.000 1.151 460 S CB 0.037 63.452 63.200 0.358 0.000 1.080 460 S HN 0.505 nan 8.310 nan 0.000 0.481 461 F N 2.685 122.611 119.950 -0.041 0.000 2.435 461 F HA 0.402 4.929 4.527 -0.000 0.000 0.316 461 F C 1.560 176.857 175.800 -0.839 0.000 1.220 461 F CA -0.061 57.755 58.000 -0.308 0.000 1.241 461 F CB 0.668 39.483 39.000 -0.310 0.000 1.234 461 F HN 0.568 nan 8.300 nan 0.000 0.569 462 S N 0.489 115.631 115.700 -0.930 0.000 2.669 462 S HA 0.269 4.739 4.470 -0.000 0.000 0.270 462 S C 0.946 175.317 174.600 -0.382 0.000 1.225 462 S CA -0.890 56.575 58.200 -1.225 0.000 0.991 462 S CB 1.124 63.657 63.200 -1.111 0.000 0.987 462 S HN 0.546 nan 8.310 nan 0.000 0.552 463 K N 0.688 120.999 120.400 -0.150 0.000 2.189 463 K HA -0.144 4.176 4.320 -0.000 0.000 0.207 463 K C 0.756 177.335 176.600 -0.035 0.000 1.046 463 K CA 1.588 57.867 56.287 -0.013 0.000 0.928 463 K CB -0.206 32.341 32.500 0.079 0.000 0.720 463 K HN 0.669 nan 8.250 nan 0.000 0.458 464 E N -1.424 118.724 120.200 -0.087 0.000 2.603 464 E HA 0.186 4.536 4.350 -0.000 0.000 0.211 464 E C 0.134 176.672 176.600 -0.103 0.000 0.995 464 E CA 0.269 56.627 56.400 -0.071 0.000 0.990 464 E CB 1.052 30.715 29.700 -0.062 0.000 1.036 464 E HN 0.232 nan 8.360 nan 0.000 0.475 465 A N 1.628 124.368 122.820 -0.134 0.000 2.887 465 A HA -0.303 4.017 4.320 -0.000 0.000 0.257 465 A C 1.437 178.971 177.584 -0.083 0.000 1.372 465 A CA 1.647 53.634 52.037 -0.084 0.000 0.879 465 A CB -2.184 16.679 19.000 -0.229 0.000 1.082 465 A HN 0.250 nan 8.150 nan 0.000 0.703 466 K N -1.757 118.508 120.400 -0.225 0.000 2.155 466 K HA 0.094 4.414 4.320 -0.000 0.000 0.203 466 K C 0.211 176.442 176.600 -0.616 0.000 1.052 466 K CA 1.538 57.568 56.287 -0.429 0.000 0.948 466 K CB -0.029 32.123 32.500 -0.579 0.000 0.728 466 K HN 0.665 nan 8.250 nan 0.000 0.448 467 Y N -1.232 119.001 120.300 -0.112 0.000 2.605 467 Y HA 0.352 4.902 4.550 -0.000 0.000 0.343 467 Y C -1.085 174.716 175.900 -0.165 0.000 1.036 467 Y CA -1.320 56.726 58.100 -0.090 0.000 1.065 467 Y CB 1.753 40.242 38.460 0.049 0.000 1.288 467 Y HN 0.003 nan 8.280 nan 0.000 0.481 468 Y N -1.029 119.235 120.300 -0.059 0.000 2.474 468 Y HA 0.451 5.001 4.550 -0.000 0.000 0.326 468 Y C -1.386 174.481 175.900 -0.054 0.000 1.160 468 Y CA -1.407 56.478 58.100 -0.358 0.000 1.056 468 Y CB 1.269 38.935 38.460 -1.324 0.000 1.330 468 Y HN 0.615 nan 8.280 nan 0.000 0.447 469 Q N 4.388 124.283 119.800 0.158 0.000 2.257 469 Q HA 0.615 4.955 4.340 -0.000 0.000 0.255 469 Q C -1.760 174.295 176.000 0.093 0.000 0.920 469 Q CA -0.732 55.144 55.803 0.121 0.000 0.927 469 Q CB 1.361 30.185 28.738 0.143 0.000 1.229 469 Q HN 0.952 nan 8.270 nan 0.000 0.433 470 L N 4.214 125.491 121.223 0.090 0.000 2.309 470 L HA 0.544 4.884 4.340 -0.000 0.000 0.282 470 L C -0.159 176.756 176.870 0.075 0.000 1.036 470 L CA -0.629 54.272 54.840 0.102 0.000 0.806 470 L CB 1.420 43.529 42.059 0.082 0.000 1.220 470 L HN 0.622 nan 8.230 nan 0.000 0.429 471 R N 2.301 122.814 120.500 0.022 0.000 2.320 471 R HA 0.321 4.661 4.340 -0.000 0.000 0.319 471 R C -0.949 175.174 176.300 -0.295 0.000 0.969 471 R CA -0.516 55.414 56.100 -0.284 0.000 0.857 471 R CB 1.589 31.737 30.300 -0.252 0.000 1.160 471 R HN 0.605 nan 8.270 nan 0.000 0.491 472 c N 2.170 120.480 118.600 -0.482 0.000 2.369 472 c HA 0.358 4.928 4.570 -0.000 0.000 0.358 472 c C 1.106 174.957 174.090 -0.399 0.000 1.274 472 c CA -0.156 55.759 56.329 -0.691 0.000 1.935 472 c CB 0.516 42.619 42.510 -0.677 0.000 2.431 472 c HN 0.917 nan 8.230 nan 0.000 0.545 473 S N 2.938 118.482 115.700 -0.260 0.000 2.540 473 S HA 0.537 5.007 4.470 -0.000 0.000 0.222 473 S C 0.504 175.047 174.600 -0.094 0.000 1.008 473 S CA 0.380 58.497 58.200 -0.137 0.000 0.939 473 S CB 0.512 63.649 63.200 -0.105 0.000 0.865 473 S HN 1.442 nan 8.310 nan 0.000 0.499 474 G N 1.828 110.567 108.800 -0.102 0.000 2.320 474 G HA2 0.280 4.240 3.960 -0.000 0.000 0.297 474 G HA3 0.280 4.240 3.960 -0.000 0.000 0.297 474 G C -3.008 171.876 174.900 -0.027 0.000 1.344 474 G CA -0.646 44.434 45.100 -0.033 0.000 0.851 474 G HN -0.200 nan 8.290 nan 0.000 0.567 475 P HA 0.130 nan 4.420 nan 0.000 0.242 475 P C 1.187 178.496 177.300 0.016 0.000 1.197 475 P CA 1.253 64.377 63.100 0.039 0.000 0.765 475 P CB 0.331 32.054 31.700 0.039 0.000 0.936 476 G N 0.256 109.005 108.800 -0.085 0.000 2.510 476 G HA2 0.443 4.403 3.960 -0.000 0.000 0.280 476 G HA3 0.443 4.403 3.960 -0.000 0.000 0.280 476 G C -0.295 174.365 174.900 -0.400 0.000 1.386 476 G CA -0.767 44.200 45.100 -0.222 0.000 1.047 476 G HN 0.027 nan 8.290 nan 0.000 0.527 477 L N 0.929 121.850 121.223 -0.503 0.000 2.439 477 L HA 0.196 4.536 4.340 -0.000 0.000 0.269 477 L C -1.931 174.812 176.870 -0.213 0.000 1.179 477 L CA -1.370 53.162 54.840 -0.513 0.000 0.828 477 L CB 0.796 42.614 42.059 -0.402 0.000 1.106 477 L HN 0.225 nan 8.230 nan 0.000 0.467 478 P HA -0.045 nan 4.420 nan 0.000 0.261 478 P C -0.904 176.404 177.300 0.014 0.000 1.173 478 P CA 0.234 63.320 63.100 -0.023 0.000 0.760 478 P CB 0.385 32.176 31.700 0.151 0.000 0.783 479 L N 6.089 127.252 121.223 -0.101 0.000 2.404 479 L HA 0.458 4.798 4.340 -0.000 0.000 0.272 479 L C -1.678 175.153 176.870 -0.064 0.000 0.980 479 L CA -0.720 54.112 54.840 -0.014 0.000 0.836 479 L CB 0.760 42.782 42.059 -0.061 0.000 1.238 479 L HN 0.206 nan 8.230 nan 0.000 0.408 480 Y N 2.732 122.998 120.300 -0.056 0.000 2.331 480 Y HA 0.750 5.300 4.550 -0.000 0.000 0.338 480 Y C 0.601 176.421 175.900 -0.133 0.000 0.992 480 Y CA -0.615 57.443 58.100 -0.072 0.000 1.121 480 Y CB 1.992 40.396 38.460 -0.094 0.000 1.184 480 Y HN 0.665 nan 8.280 nan 0.000 0.469 481 T N 0.857 115.445 114.554 0.056 0.000 2.906 481 T HA 0.705 5.055 4.350 -0.000 0.000 0.295 481 T C -1.543 173.141 174.700 -0.026 0.000 1.075 481 T CA -0.885 61.198 62.100 -0.028 0.000 1.005 481 T CB 1.912 70.808 68.868 0.046 0.000 1.136 481 T HN 0.388 nan 8.240 nan 0.000 0.498 482 L N 1.922 123.029 121.223 -0.194 0.000 2.329 482 L HA 0.628 4.968 4.340 -0.000 0.000 0.279 482 L C -0.743 175.912 176.870 -0.359 0.000 1.014 482 L CA -0.310 54.441 54.840 -0.148 0.000 0.814 482 L CB 1.064 43.038 42.059 -0.142 0.000 1.257 482 L HN 0.859 nan 8.230 nan 0.000 0.424 483 H N 1.479 120.310 119.070 -0.398 0.000 2.928 483 H HA 0.573 5.129 4.556 -0.000 0.000 0.371 483 H C -0.954 174.192 175.328 -0.303 0.000 1.186 483 H CA -0.916 54.840 56.048 -0.486 0.000 1.134 483 H CB 2.079 31.276 29.762 -0.941 0.000 1.824 483 H HN 0.595 nan 8.280 nan 0.000 0.554 484 S N 0.327 116.042 115.700 0.026 0.000 2.475 484 S HA 0.200 4.670 4.470 -0.000 0.000 0.298 484 S C 0.666 175.302 174.600 0.060 0.000 1.119 484 S CA -0.773 57.484 58.200 0.096 0.000 1.085 484 S CB 1.868 65.155 63.200 0.145 0.000 1.028 484 S HN 0.579 nan 8.310 nan 0.000 0.489 485 S N 1.933 117.668 115.700 0.057 0.000 2.447 485 S HA -0.077 4.393 4.470 -0.000 0.000 0.233 485 S C 1.887 176.532 174.600 0.075 0.000 1.006 485 S CA 0.762 59.058 58.200 0.160 0.000 0.957 485 S CB -0.509 62.766 63.200 0.124 0.000 0.773 485 S HN 0.615 nan 8.310 nan 0.000 0.507 486 V N 2.833 122.754 119.914 0.013 0.000 2.250 486 V HA -0.216 3.904 4.120 -0.000 0.000 0.250 486 V C 1.547 177.659 176.094 0.032 0.000 1.060 486 V CA 1.783 64.095 62.300 0.020 0.000 1.030 486 V CB -0.410 31.416 31.823 0.006 0.000 0.643 486 V HN 0.534 nan 8.190 nan 0.000 0.445 487 N N -1.835 116.886 118.700 0.035 0.000 2.160 487 N HA 0.084 4.824 4.740 -0.000 0.000 0.226 487 N C -0.279 175.255 175.510 0.041 0.000 1.256 487 N CA 0.282 53.350 53.050 0.029 0.000 0.890 487 N CB 0.711 39.213 38.487 0.024 0.000 1.116 487 N HN 0.423 nan 8.380 nan 0.000 0.517 488 D N 1.286 121.737 120.400 0.085 0.000 2.800 488 D HA -0.163 4.477 4.640 -0.000 0.000 0.232 488 D C -0.017 176.359 176.300 0.126 0.000 1.137 488 D CA 0.953 55.039 54.000 0.143 0.000 0.718 488 D CB -1.148 39.713 40.800 0.102 0.000 1.084 488 D HN 0.569 nan 8.370 nan 0.000 0.432 489 K N -0.469 119.976 120.400 0.075 0.000 2.143 489 K HA 0.569 4.889 4.320 -0.000 0.000 0.272 489 K C 0.672 177.233 176.600 -0.064 0.000 1.001 489 K CA -0.475 55.830 56.287 0.030 0.000 0.915 489 K CB 1.428 33.927 32.500 -0.003 0.000 1.047 489 K HN -0.052 nan 8.250 nan 0.000 0.458 490 G N 2.876 111.575 108.800 -0.169 0.000 2.340 490 G HA2 0.118 4.078 3.960 -0.000 0.000 0.245 490 G HA3 0.118 4.078 3.960 -0.000 0.000 0.245 490 G C 0.357 175.062 174.900 -0.325 0.000 1.294 490 G CA -0.667 44.114 45.100 -0.533 0.000 0.896 490 G HN 0.704 nan 8.290 nan 0.000 0.522 491 L N 1.685 122.692 121.223 -0.359 0.000 2.298 491 L HA 0.310 4.650 4.340 -0.000 0.000 0.209 491 L C 1.499 178.265 176.870 -0.173 0.000 1.084 491 L CA 0.611 55.334 54.840 -0.195 0.000 0.816 491 L CB -0.194 41.771 42.059 -0.157 0.000 0.967 491 L HN 0.813 nan 8.230 nan 0.000 0.460 492 R N -2.539 117.825 120.500 -0.227 0.000 3.139 492 R HA 0.288 4.628 4.340 -0.000 0.000 0.287 492 R C -1.657 174.525 176.300 -0.196 0.000 0.978 492 R CA -0.962 55.035 56.100 -0.171 0.000 0.837 492 R CB 0.939 31.168 30.300 -0.119 0.000 1.330 492 R HN -0.312 nan 8.270 nan 0.000 0.527 493 V N 2.654 122.476 119.914 -0.152 0.000 2.406 493 V HA 0.212 4.332 4.120 -0.000 0.000 0.272 493 V C 1.243 177.215 176.094 -0.204 0.000 1.043 493 V CA -0.438 61.774 62.300 -0.146 0.000 0.915 493 V CB 1.170 32.937 31.823 -0.093 0.000 0.988 493 V HN 0.614 nan 8.190 nan 0.000 0.466 494 L N 2.821 123.855 121.223 -0.315 0.000 2.307 494 L HA 0.283 4.623 4.340 -0.000 0.000 0.211 494 L C 0.666 177.266 176.870 -0.449 0.000 1.099 494 L CA 0.670 55.139 54.840 -0.618 0.000 0.816 494 L CB 0.189 41.511 42.059 -1.230 0.000 0.952 494 L HN 0.644 nan 8.230 nan 0.000 0.455 495 E N -0.104 119.976 120.200 -0.199 0.000 2.406 495 E HA 0.096 4.446 4.350 -0.000 0.000 0.297 495 E C -1.201 175.427 176.600 0.046 0.000 0.917 495 E CA -0.345 56.022 56.400 -0.055 0.000 0.795 495 E CB 1.069 30.715 29.700 -0.090 0.000 1.285 495 E HN 0.151 nan 8.360 nan 0.000 0.400 496 D N 2.706 123.118 120.400 0.020 0.000 2.469 496 D HA 0.165 4.805 4.640 -0.000 0.000 0.213 496 D C -0.117 176.190 176.300 0.012 0.000 1.135 496 D CA -0.242 53.767 54.000 0.016 0.000 0.834 496 D CB 0.054 40.847 40.800 -0.011 0.000 1.009 496 D HN 0.437 nan 8.370 nan 0.000 0.507 497 N N 0.379 119.098 118.700 0.030 0.000 2.693 497 N HA -0.232 4.508 4.740 -0.000 0.000 0.249 497 N C 0.905 176.416 175.510 0.002 0.000 1.119 497 N CA 0.976 54.042 53.050 0.025 0.000 0.717 497 N CB -1.206 37.294 38.487 0.021 0.000 1.071 497 N HN 0.487 nan 8.380 nan 0.000 0.555 498 S N -1.121 114.578 115.700 -0.000 0.000 2.419 498 S HA -0.065 4.405 4.470 -0.000 0.000 0.235 498 S C 2.097 176.701 174.600 0.007 0.000 1.019 498 S CA 1.023 59.219 58.200 -0.006 0.000 0.982 498 S CB -0.135 63.062 63.200 -0.005 0.000 0.789 498 S HN 0.534 nan 8.310 nan 0.000 0.490 499 A N 2.449 125.282 122.820 0.022 0.000 1.845 499 A HA 0.018 4.338 4.320 -0.000 0.000 0.215 499 A C 2.242 179.856 177.584 0.050 0.000 1.195 499 A CA 1.691 53.751 52.037 0.038 0.000 0.616 499 A CB -1.082 17.947 19.000 0.048 0.000 0.832 499 A HN 0.525 nan 8.150 nan 0.000 0.443 500 L N 0.476 121.733 121.223 0.057 0.000 2.079 500 L HA -0.187 4.153 4.340 -0.000 0.000 0.210 500 L C 1.946 178.829 176.870 0.022 0.000 1.081 500 L CA 2.939 57.823 54.840 0.074 0.000 0.752 500 L CB -0.805 41.305 42.059 0.084 0.000 0.896 500 L HN 0.544 nan 8.230 nan 0.000 0.433 501 D N -0.776 119.615 120.400 -0.015 0.000 2.123 501 D HA -0.254 4.386 4.640 -0.000 0.000 0.196 501 D C 2.141 178.423 176.300 -0.030 0.000 0.992 501 D CA 1.199 55.169 54.000 -0.049 0.000 0.833 501 D CB -0.066 40.699 40.800 -0.057 0.000 0.954 501 D HN 0.099 nan 8.370 nan 0.000 0.455 502 K N -0.128 120.270 120.400 -0.004 0.000 2.057 502 K HA -0.104 4.216 4.320 -0.000 0.000 0.207 502 K C 2.172 178.780 176.600 0.013 0.000 1.049 502 K CA 0.973 57.264 56.287 0.007 0.000 0.931 502 K CB -0.345 32.167 32.500 0.021 0.000 0.714 502 K HN 0.355 nan 8.250 nan 0.000 0.440 503 M N 0.236 119.854 119.600 0.031 0.000 2.064 503 M HA -0.121 4.359 4.480 -0.000 0.000 0.260 503 M C 2.145 178.396 176.300 -0.082 0.000 1.073 503 M CA 1.316 56.641 55.300 0.041 0.000 1.124 503 M CB -0.353 32.346 32.600 0.164 0.000 1.326 503 M HN 0.008 nan 8.290 nan 0.000 0.410 504 L N 0.551 121.688 121.223 -0.143 0.000 2.349 504 L HA -0.233 4.107 4.340 -0.000 0.000 0.220 504 L C 2.541 179.343 176.870 -0.114 0.000 1.130 504 L CA 1.142 55.862 54.840 -0.199 0.000 0.791 504 L CB -0.994 40.980 42.059 -0.142 0.000 0.918 504 L HN 0.529 nan 8.230 nan 0.000 0.444 505 Q N -0.798 118.962 119.800 -0.066 0.000 2.331 505 Q HA -0.132 4.208 4.340 -0.000 0.000 0.203 505 Q C 1.602 177.591 176.000 -0.019 0.000 0.944 505 Q CA 0.916 56.696 55.803 -0.038 0.000 0.892 505 Q CB -0.305 28.419 28.738 -0.024 0.000 0.983 505 Q HN 0.411 nan 8.270 nan 0.000 0.482 506 N N 1.278 119.968 118.700 -0.017 0.000 2.370 506 N HA 0.041 4.781 4.740 -0.000 0.000 0.198 506 N C -0.740 174.781 175.510 0.017 0.000 1.156 506 N CA 0.211 53.269 53.050 0.013 0.000 0.839 506 N CB 1.016 39.524 38.487 0.035 0.000 0.989 506 N HN 0.234 nan 8.380 nan 0.000 0.468 507 V N -0.443 119.460 119.914 -0.017 0.000 2.925 507 V HA 0.337 4.457 4.120 -0.000 0.000 0.311 507 V C -0.808 175.286 176.094 -0.000 0.000 1.104 507 V CA -0.835 61.466 62.300 0.002 0.000 0.954 507 V CB 2.083 33.878 31.823 -0.047 0.000 1.022 507 V HN -0.048 nan 8.190 nan 0.000 0.427 508 Q N 4.257 124.076 119.800 0.032 0.000 2.815 508 Q HA 0.254 4.594 4.340 -0.000 0.000 0.235 508 Q C -0.258 175.722 176.000 -0.034 0.000 1.354 508 Q CA -0.195 55.606 55.803 -0.005 0.000 0.953 508 Q CB 0.373 29.130 28.738 0.032 0.000 1.613 508 Q HN 0.738 nan 8.270 nan 0.000 0.572 509 M N 3.665 123.229 119.600 -0.059 0.000 2.240 509 M HA 0.195 4.675 4.480 -0.000 0.000 0.333 509 M C -2.099 174.135 176.300 -0.109 0.000 1.110 509 M CA -1.840 53.415 55.300 -0.075 0.000 1.173 509 M CB 0.467 33.024 32.600 -0.072 0.000 1.458 509 M HN 0.261 nan 8.290 nan 0.000 0.458 510 P HA 0.360 nan 4.420 nan 0.000 0.280 510 P C -1.544 175.673 177.300 -0.137 0.000 1.272 510 P CA -0.594 62.417 63.100 -0.149 0.000 0.819 510 P CB 1.152 32.754 31.700 -0.162 0.000 1.122 511 S N -0.380 115.221 115.700 -0.164 0.000 2.718 511 S HA 0.579 5.049 4.470 -0.000 0.000 0.300 511 S C -0.498 174.003 174.600 -0.165 0.000 1.117 511 S CA -0.717 57.400 58.200 -0.140 0.000 1.002 511 S CB 1.508 64.626 63.200 -0.137 0.000 1.092 511 S HN 0.493 nan 8.310 nan 0.000 0.542 512 K N 0.832 121.161 120.400 -0.118 0.000 2.502 512 K HA 0.340 4.660 4.320 -0.000 0.000 0.254 512 K C -1.221 175.322 176.600 -0.095 0.000 0.947 512 K CA -0.479 55.741 56.287 -0.111 0.000 0.834 512 K CB 1.192 33.654 32.500 -0.065 0.000 1.112 512 K HN 0.696 nan 8.250 nan 0.000 0.427 513 K N 5.834 126.160 120.400 -0.123 0.000 2.234 513 K HA 0.261 4.581 4.320 -0.000 0.000 0.277 513 K C -1.169 175.385 176.600 -0.077 0.000 1.038 513 K CA -0.528 55.701 56.287 -0.095 0.000 0.888 513 K CB 0.834 33.263 32.500 -0.119 0.000 1.091 513 K HN 0.606 nan 8.250 nan 0.000 0.467 514 L N 5.020 126.219 121.223 -0.041 0.000 2.384 514 L HA 0.296 4.636 4.340 -0.000 0.000 0.261 514 L C -1.129 175.765 176.870 0.040 0.000 1.024 514 L CA -0.218 54.625 54.840 0.005 0.000 0.899 514 L CB 0.846 42.961 42.059 0.093 0.000 1.243 514 L HN 0.808 nan 8.230 nan 0.000 0.449 515 D N 2.280 122.524 120.400 -0.259 0.000 2.784 515 D HA 0.632 5.272 4.640 -0.000 0.000 0.256 515 D C -1.021 175.011 176.300 -0.447 0.000 1.129 515 D CA -0.072 53.747 54.000 -0.302 0.000 1.102 515 D CB 1.691 42.278 40.800 -0.355 0.000 1.330 515 D HN 0.205 nan 8.370 nan 0.000 0.626 516 F N -0.743 118.932 119.950 -0.458 0.000 2.754 516 F HA 0.652 5.179 4.527 -0.000 0.000 0.320 516 F C -1.593 174.292 175.800 0.142 0.000 1.156 516 F CA -1.086 56.730 58.000 -0.306 0.000 0.950 516 F CB 1.053 39.350 39.000 -1.173 0.000 1.388 516 F HN 0.285 nan 8.300 nan 0.000 0.485 517 I N 2.120 122.952 120.570 0.436 0.000 2.994 517 I HA 0.555 4.725 4.170 -0.000 0.000 0.306 517 I C -1.952 174.413 176.117 0.414 0.000 1.195 517 I CA -1.220 60.281 61.300 0.334 0.000 1.001 517 I CB 2.199 40.395 38.000 0.327 0.000 1.244 517 I HN 0.815 nan 8.210 nan 0.000 0.437 518 I N 7.712 128.457 120.570 0.291 0.000 2.382 518 I HA 0.438 4.608 4.170 -0.000 0.000 0.286 518 I C -1.817 174.439 176.117 0.231 0.000 1.002 518 I CA -0.738 60.721 61.300 0.264 0.000 1.135 518 I CB 1.271 39.389 38.000 0.197 0.000 1.288 518 I HN 0.506 nan 8.210 nan 0.000 0.448 519 L N 7.719 129.136 121.223 0.323 0.000 2.343 519 L HA 0.466 4.806 4.340 -0.000 0.000 0.278 519 L C 0.287 177.296 176.870 0.232 0.000 0.996 519 L CA -0.668 54.320 54.840 0.246 0.000 0.831 519 L CB 1.181 43.377 42.059 0.228 0.000 1.232 519 L HN 0.620 nan 8.230 nan 0.000 0.413 520 N N 2.585 121.361 118.700 0.126 0.000 2.746 520 N HA -0.181 4.559 4.740 -0.000 0.000 0.250 520 N C -0.036 175.525 175.510 0.085 0.000 1.055 520 N CA 0.839 53.944 53.050 0.091 0.000 0.699 520 N CB -0.585 37.955 38.487 0.088 0.000 0.919 520 N HN 0.804 nan 8.380 nan 0.000 0.548 521 E N -0.410 119.835 120.200 0.075 0.000 2.197 521 E HA -0.223 4.127 4.350 -0.000 0.000 0.184 521 E C -0.839 175.780 176.600 0.031 0.000 1.439 521 E CA 1.773 58.204 56.400 0.052 0.000 0.688 521 E CB -0.970 28.749 29.700 0.032 0.000 1.090 521 E HN 0.530 nan 8.360 nan 0.000 0.341 522 T N 0.856 115.430 114.554 0.033 0.000 3.933 522 T HA 0.324 4.674 4.350 -0.000 0.000 0.379 522 T C -1.183 173.435 174.700 -0.137 0.000 1.232 522 T CA -0.444 61.607 62.100 -0.082 0.000 1.122 522 T CB 0.394 69.192 68.868 -0.117 0.000 1.239 522 T HN 0.361 nan 8.240 nan 0.000 0.475 523 K N 3.743 124.013 120.400 -0.216 0.000 2.234 523 K HA 0.653 4.973 4.320 -0.000 0.000 0.282 523 K C -1.198 175.198 176.600 -0.340 0.000 1.039 523 K CA -0.616 55.567 56.287 -0.172 0.000 0.928 523 K CB 0.682 32.976 32.500 -0.343 0.000 1.039 523 K HN 0.326 nan 8.250 nan 0.000 0.470 524 F N 2.001 122.005 119.950 0.091 0.000 2.467 524 F HA 0.332 4.859 4.527 -0.000 0.000 0.336 524 F C -0.557 175.299 175.800 0.094 0.000 1.123 524 F CA -0.777 57.257 58.000 0.057 0.000 0.964 524 F CB 0.903 39.865 39.000 -0.063 0.000 1.136 524 F HN 0.518 nan 8.300 nan 0.000 0.447 525 W N 3.689 125.087 121.300 0.163 0.000 2.251 525 W HA 0.434 5.094 4.660 -0.000 0.000 0.329 525 W C -0.334 176.335 176.519 0.250 0.000 1.234 525 W CA -0.599 56.885 57.345 0.232 0.000 1.228 525 W CB 0.241 29.780 29.460 0.131 0.000 1.135 525 W HN 0.469 nan 8.180 nan 0.000 0.576 526 Y N -0.573 120.036 120.300 0.515 0.000 2.634 526 Y HA 0.697 5.247 4.550 -0.000 0.000 0.340 526 Y C -0.930 175.218 175.900 0.414 0.000 1.058 526 Y CA -1.909 56.521 58.100 0.550 0.000 1.081 526 Y CB 1.372 40.334 38.460 0.837 0.000 1.295 526 Y HN 0.477 nan 8.280 nan 0.000 0.487 527 Q N 2.018 122.124 119.800 0.510 0.000 2.359 527 Q HA 0.644 4.984 4.340 -0.000 0.000 0.274 527 Q C -2.030 174.107 176.000 0.227 0.000 1.074 527 Q CA -1.026 54.922 55.803 0.243 0.000 0.810 527 Q CB 2.322 31.174 28.738 0.190 0.000 1.342 527 Q HN 0.974 nan 8.270 nan 0.000 0.427 528 M N 4.234 123.878 119.600 0.073 0.000 2.213 528 M HA 0.452 4.932 4.480 -0.000 0.000 0.286 528 M C -1.352 174.854 176.300 -0.158 0.000 1.008 528 M CA -0.352 54.910 55.300 -0.063 0.000 0.937 528 M CB 1.933 34.468 32.600 -0.108 0.000 1.600 528 M HN 0.583 nan 8.290 nan 0.000 0.450 529 I N 5.591 126.059 120.570 -0.170 0.000 2.287 529 I HA 0.293 4.463 4.170 -0.000 0.000 0.290 529 I C -0.699 175.237 176.117 -0.302 0.000 1.069 529 I CA -0.408 60.770 61.300 -0.203 0.000 1.237 529 I CB 0.333 38.242 38.000 -0.152 0.000 1.418 529 I HN 0.530 nan 8.210 nan 0.000 0.481 530 L N 8.091 129.071 121.223 -0.405 0.000 2.350 530 L HA 0.432 4.772 4.340 -0.000 0.000 0.275 530 L C -2.221 174.417 176.870 -0.386 0.000 1.099 530 L CA -1.914 52.582 54.840 -0.573 0.000 0.808 530 L CB 0.311 41.798 42.059 -0.954 0.000 1.149 530 L HN 0.226 nan 8.230 nan 0.000 0.442 531 P HA 0.096 nan 4.420 nan 0.000 0.269 531 P C -2.461 174.750 177.300 -0.149 0.000 1.215 531 P CA -0.826 62.150 63.100 -0.206 0.000 0.780 531 P CB -0.046 31.551 31.700 -0.171 0.000 0.898 532 P HA -0.026 nan 4.420 nan 0.000 0.268 532 P C -0.330 176.836 177.300 -0.223 0.000 1.208 532 P CA 0.685 63.601 63.100 -0.308 0.000 0.777 532 P CB -0.112 31.341 31.700 -0.411 0.000 0.875 533 H N -1.228 117.873 119.070 0.051 0.000 2.713 533 H HA -0.209 4.347 4.556 -0.000 0.000 0.311 533 H C 0.121 175.511 175.328 0.103 0.000 1.175 533 H CA -0.088 55.998 56.048 0.064 0.000 1.143 533 H CB -2.347 27.447 29.762 0.053 0.000 1.434 533 H HN 0.363 nan 8.280 nan 0.000 0.418 534 F N 2.378 122.307 119.950 -0.034 0.000 2.623 534 F HA 0.074 4.601 4.527 -0.000 0.000 0.386 534 F C 0.645 176.464 175.800 0.031 0.000 1.068 534 F CA 0.200 58.131 58.000 -0.114 0.000 1.265 534 F CB 0.506 39.339 39.000 -0.279 0.000 1.026 534 F HN 0.211 nan 8.300 nan 0.000 0.568 535 D N 6.574 126.673 120.400 -0.502 0.000 2.420 535 D HA 0.126 4.766 4.640 -0.000 0.000 0.255 535 D C 0.534 176.513 176.300 -0.534 0.000 1.185 535 D CA -0.354 53.417 54.000 -0.381 0.000 0.904 535 D CB 1.010 41.757 40.800 -0.089 0.000 1.102 535 D HN 0.662 nan 8.370 nan 0.000 0.534 536 K N 0.666 120.690 120.400 -0.626 0.000 2.520 536 K HA -0.072 4.248 4.320 -0.000 0.000 0.197 536 K C 1.460 178.058 176.600 -0.003 0.000 1.044 536 K CA 0.725 56.882 56.287 -0.217 0.000 0.938 536 K CB 0.365 32.889 32.500 0.042 0.000 0.767 536 K HN 0.198 nan 8.250 nan 0.000 0.481 537 S N 0.326 115.983 115.700 -0.072 0.000 2.388 537 S HA -0.006 4.464 4.470 -0.000 0.000 0.223 537 S C 0.830 175.394 174.600 -0.060 0.000 1.034 537 S CA 0.451 58.625 58.200 -0.044 0.000 0.963 537 S CB 0.192 63.358 63.200 -0.056 0.000 0.827 537 S HN 0.116 nan 8.310 nan 0.000 0.481 538 K N 2.840 123.169 120.400 -0.119 0.000 2.249 538 K HA 0.168 4.488 4.320 -0.000 0.000 0.280 538 K C -0.539 175.922 176.600 -0.232 0.000 1.033 538 K CA -0.069 56.084 56.287 -0.222 0.000 0.946 538 K CB 0.546 32.831 32.500 -0.358 0.000 1.005 538 K HN -0.007 nan 8.250 nan 0.000 0.469 539 K N 3.614 123.896 120.400 -0.196 0.000 2.249 539 K HA 0.172 4.492 4.320 -0.000 0.000 0.280 539 K C -0.322 176.152 176.600 -0.210 0.000 1.033 539 K CA -0.173 56.069 56.287 -0.075 0.000 0.946 539 K CB 0.327 32.797 32.500 -0.051 0.000 1.005 539 K HN 0.385 nan 8.250 nan 0.000 0.469 540 Y N 2.095 122.428 120.300 0.056 0.000 2.468 540 Y HA 0.284 4.834 4.550 -0.000 0.000 0.342 540 Y C -1.871 173.974 175.900 -0.092 0.000 1.021 540 Y CA -2.287 55.810 58.100 -0.005 0.000 1.079 540 Y CB 1.757 40.259 38.460 0.071 0.000 1.226 540 Y HN 0.469 nan 8.280 nan 0.000 0.460 541 P HA 0.185 nan 4.420 nan 0.000 0.275 541 P C -1.150 175.969 177.300 -0.302 0.000 1.228 541 P CA -0.143 62.696 63.100 -0.436 0.000 0.786 541 P CB 1.747 32.863 31.700 -0.973 0.000 0.927 542 L N 3.204 124.312 121.223 -0.191 0.000 2.386 542 L HA 0.534 4.874 4.340 -0.000 0.000 0.271 542 L C -1.170 175.851 176.870 0.252 0.000 0.993 542 L CA -1.061 53.796 54.840 0.029 0.000 0.819 542 L CB 1.731 43.838 42.059 0.080 0.000 1.294 542 L HN 0.271 nan 8.230 nan 0.000 0.414 543 L N 5.799 127.181 121.223 0.263 0.000 2.319 543 L HA 0.414 4.754 4.340 -0.000 0.000 0.281 543 L C -1.260 175.830 176.870 0.368 0.000 1.005 543 L CA -0.869 54.205 54.840 0.390 0.000 0.828 543 L CB 1.796 44.058 42.059 0.338 0.000 1.227 543 L HN 0.592 nan 8.230 nan 0.000 0.415 544 L N 5.330 126.823 121.223 0.450 0.000 2.283 544 L HA 0.307 4.647 4.340 -0.000 0.000 0.287 544 L C -0.164 176.944 176.870 0.396 0.000 1.073 544 L CA 0.168 55.266 54.840 0.430 0.000 0.822 544 L CB 0.640 43.005 42.059 0.509 0.000 1.186 544 L HN 0.479 nan 8.230 nan 0.000 0.436 545 D N 4.390 124.993 120.400 0.339 0.000 2.316 545 D HA 0.223 4.863 4.640 -0.000 0.000 0.245 545 D C -0.856 175.521 176.300 0.128 0.000 1.171 545 D CA 0.148 54.266 54.000 0.198 0.000 0.856 545 D CB 1.256 42.220 40.800 0.273 0.000 1.090 545 D HN 0.360 nan 8.370 nan 0.000 0.476 546 V N 5.156 125.074 119.914 0.006 0.000 2.960 546 V HA 0.504 4.624 4.120 -0.000 0.000 0.315 546 V C -0.928 175.252 176.094 0.143 0.000 1.087 546 V CA -0.371 62.001 62.300 0.119 0.000 0.982 546 V CB 2.011 33.914 31.823 0.134 0.000 1.039 546 V HN 0.682 nan 8.190 nan 0.000 0.437 547 Y N 3.865 124.239 120.300 0.124 0.000 3.189 547 Y HA 0.482 5.032 4.550 -0.000 0.000 0.213 547 Y C 1.464 177.513 175.900 0.247 0.000 1.032 547 Y CA 1.109 59.312 58.100 0.172 0.000 1.482 547 Y CB -0.013 38.523 38.460 0.126 0.000 1.460 547 Y HN 1.084 nan 8.280 nan 0.000 0.398 548 A N 1.557 124.561 122.820 0.307 0.000 2.744 548 A HA -0.174 4.146 4.320 -0.000 0.000 0.300 548 A C 0.868 178.387 177.584 -0.109 0.000 1.512 548 A CA 1.205 53.354 52.037 0.188 0.000 0.851 548 A CB -2.273 16.862 19.000 0.225 0.000 0.987 548 A HN 0.930 nan 8.150 nan 0.000 0.507 549 G N -1.250 107.301 108.800 -0.415 0.000 2.562 549 G HA2 0.515 4.475 3.960 -0.000 0.000 0.275 549 G HA3 0.515 4.475 3.960 -0.000 0.000 0.275 549 G C -2.370 172.272 174.900 -0.430 0.000 1.196 549 G CA -1.323 43.110 45.100 -1.111 0.000 0.908 549 G HN 0.254 nan 8.290 nan 0.000 0.524 550 P HA 0.065 nan 4.420 nan 0.000 0.255 550 P C 0.301 177.448 177.300 -0.256 0.000 1.173 550 P CA 0.325 63.104 63.100 -0.535 0.000 0.780 550 P CB 0.187 31.015 31.700 -1.452 0.000 0.758 551 C N 3.464 122.694 119.300 -0.115 0.000 3.234 551 C HA -0.020 4.440 4.460 -0.000 0.000 0.291 551 C C 0.413 175.421 174.990 0.030 0.000 1.089 551 C CA 0.871 59.809 59.018 -0.134 0.000 2.493 551 C CB -2.643 24.878 27.740 -0.365 0.000 1.512 551 C HN 0.786 nan 8.230 nan 0.000 0.495 552 S N 3.061 118.810 115.700 0.081 0.000 2.651 552 S HA 0.817 5.287 4.470 -0.000 0.000 0.279 552 S C -1.155 173.550 174.600 0.176 0.000 1.148 552 S CA -0.426 57.880 58.200 0.176 0.000 0.837 552 S CB 2.024 65.421 63.200 0.327 0.000 1.138 552 S HN 0.987 nan 8.310 nan 0.000 0.478 553 Q N 0.211 120.129 119.800 0.198 0.000 2.350 553 Q HA 0.418 4.758 4.340 -0.000 0.000 0.255 553 Q C -0.696 175.403 176.000 0.165 0.000 0.951 553 Q CA -0.618 55.318 55.803 0.221 0.000 0.751 553 Q CB 1.187 30.123 28.738 0.329 0.000 1.296 553 Q HN 0.605 nan 8.270 nan 0.000 0.453 554 K N 0.973 121.479 120.400 0.177 0.000 2.361 554 K HA 0.330 4.650 4.320 -0.000 0.000 0.194 554 K C -0.374 176.324 176.600 0.164 0.000 1.032 554 K CA 0.387 56.773 56.287 0.165 0.000 1.048 554 K CB 1.117 33.749 32.500 0.220 0.000 0.842 554 K HN 0.536 nan 8.250 nan 0.000 0.526 555 A N 2.553 125.479 122.820 0.177 0.000 2.267 555 A HA 0.466 4.786 4.320 -0.000 0.000 0.315 555 A C -0.701 176.951 177.584 0.112 0.000 1.297 555 A CA -0.579 51.562 52.037 0.173 0.000 0.865 555 A CB 0.367 19.523 19.000 0.260 0.000 1.165 555 A HN 0.235 nan 8.150 nan 0.000 0.513 556 D N 0.228 120.671 120.400 0.072 0.000 3.009 556 D HA 0.441 5.081 4.640 -0.000 0.000 0.318 556 D C 0.497 176.812 176.300 0.024 0.000 1.273 556 D CA 0.458 54.490 54.000 0.053 0.000 1.001 556 D CB 0.175 41.011 40.800 0.061 0.000 1.411 556 D HN 0.267 nan 8.370 nan 0.000 0.577 557 T N -2.602 111.971 114.554 0.031 0.000 3.085 557 T HA 0.327 4.677 4.350 -0.000 0.000 0.264 557 T C 0.396 175.046 174.700 -0.083 0.000 1.019 557 T CA -0.290 61.823 62.100 0.022 0.000 0.910 557 T CB -0.485 68.447 68.868 0.108 0.000 1.059 557 T HN 0.264 nan 8.240 nan 0.000 0.542 558 V N 2.833 122.574 119.914 -0.288 0.000 2.655 558 V HA 0.291 4.411 4.120 -0.000 0.000 0.300 558 V C 0.132 176.151 176.094 -0.126 0.000 1.044 558 V CA -0.747 61.343 62.300 -0.349 0.000 1.095 558 V CB -0.128 31.358 31.823 -0.562 0.000 0.952 558 V HN 0.552 nan 8.190 nan 0.000 0.485 559 F N 6.484 126.328 119.950 -0.178 0.000 2.424 559 F HA 0.545 5.072 4.527 -0.000 0.000 0.356 559 F C 0.469 176.207 175.800 -0.102 0.000 1.110 559 F CA -0.247 57.679 58.000 -0.123 0.000 1.161 559 F CB 0.245 39.183 39.000 -0.103 0.000 1.115 559 F HN 0.428 nan 8.300 nan 0.000 0.507 560 R N 6.385 126.368 120.500 -0.862 0.000 2.750 560 R HA 0.563 4.903 4.340 -0.000 0.000 0.281 560 R C -1.481 174.373 176.300 -0.743 0.000 0.972 560 R CA -1.110 54.616 56.100 -0.623 0.000 0.912 560 R CB 2.163 32.285 30.300 -0.297 0.000 1.187 560 R HN 0.695 nan 8.270 nan 0.000 0.464 561 L N 3.931 124.919 121.223 -0.392 0.000 2.408 561 L HA 0.314 4.654 4.340 -0.000 0.000 0.257 561 L C -0.782 176.097 176.870 0.015 0.000 1.053 561 L CA -0.573 54.119 54.840 -0.247 0.000 0.922 561 L CB 0.312 42.346 42.059 -0.041 0.000 1.261 561 L HN 0.734 nan 8.230 nan 0.000 0.458 562 N N -1.002 117.635 118.700 -0.105 0.000 3.283 562 N HA 0.209 4.949 4.740 -0.000 0.000 0.338 562 N C 0.365 175.537 175.510 -0.564 0.000 1.517 562 N CA -0.883 52.040 53.050 -0.212 0.000 0.733 562 N CB 0.202 38.660 38.487 -0.048 0.000 1.797 562 N HN 0.169 nan 8.380 nan 0.000 0.637 563 W N 0.377 121.052 121.300 -1.041 0.000 2.325 563 W HA 0.022 4.682 4.660 0.000 0.000 0.299 563 W C 2.046 178.466 176.519 -0.164 0.000 1.215 563 W CA 2.735 59.650 57.345 -0.717 0.000 1.244 563 W CB -1.046 28.156 29.460 -0.430 0.000 1.140 563 W HN 0.693 nan 8.180 nan 0.000 0.523 564 A N -0.710 122.069 122.820 -0.069 0.000 1.933 564 A HA -0.214 4.106 4.320 -0.000 0.000 0.218 564 A C 1.936 179.417 177.584 -0.172 0.000 1.175 564 A CA 2.456 54.404 52.037 -0.149 0.000 0.628 564 A CB -1.296 17.691 19.000 -0.021 0.000 0.814 564 A HN 0.284 nan 8.150 nan 0.000 0.444 565 T N -1.385 113.087 114.554 -0.138 0.000 2.833 565 T HA -0.168 4.182 4.350 -0.000 0.000 0.269 565 T C 1.727 176.479 174.700 0.087 0.000 1.054 565 T CA 1.660 63.672 62.100 -0.146 0.000 1.135 565 T CB -0.373 68.253 68.868 -0.402 0.000 0.869 565 T HN 0.685 nan 8.240 nan 0.000 0.466 566 Y N 2.017 122.356 120.300 0.065 0.000 2.176 566 Y HA 0.119 4.669 4.550 -0.000 0.000 0.291 566 Y C 1.878 177.730 175.900 -0.080 0.000 1.122 566 Y CA 0.682 58.837 58.100 0.091 0.000 1.128 566 Y CB -0.783 37.706 38.460 0.049 0.000 1.005 566 Y HN 0.084 nan 8.280 nan 0.000 0.509 567 L N 0.325 121.092 121.223 -0.761 0.000 2.189 567 L HA -0.216 4.124 4.340 -0.000 0.000 0.214 567 L C 2.593 179.195 176.870 -0.447 0.000 1.097 567 L CA 1.289 55.634 54.840 -0.825 0.000 0.764 567 L CB -0.884 40.727 42.059 -0.745 0.000 0.900 567 L HN 0.435 nan 8.230 nan 0.000 0.436 568 A N -1.278 121.361 122.820 -0.301 0.000 1.901 568 A HA -0.095 4.225 4.320 -0.000 0.000 0.210 568 A C 2.460 179.961 177.584 -0.139 0.000 1.208 568 A CA 1.091 53.003 52.037 -0.209 0.000 0.644 568 A CB -0.442 18.435 19.000 -0.205 0.000 0.863 568 A HN 0.260 nan 8.150 nan 0.000 0.454 569 S N -0.655 114.996 115.700 -0.080 0.000 2.356 569 S HA -0.137 4.333 4.470 -0.000 0.000 0.223 569 S C 1.937 176.555 174.600 0.030 0.000 1.032 569 S CA 2.547 60.752 58.200 0.008 0.000 1.005 569 S CB -0.379 62.906 63.200 0.142 0.000 0.867 569 S HN 0.568 nan 8.310 nan 0.000 0.449 570 T N 1.060 115.620 114.554 0.011 0.000 2.988 570 T HA 0.192 4.542 4.350 -0.000 0.000 0.240 570 T C 1.482 176.156 174.700 -0.043 0.000 1.014 570 T CA 0.452 62.574 62.100 0.035 0.000 1.155 570 T CB -0.232 68.744 68.868 0.179 0.000 0.872 570 T HN 0.265 nan 8.240 nan 0.000 0.440 571 E N 1.523 121.600 120.200 -0.204 0.000 2.502 571 E HA 0.092 4.442 4.350 -0.000 0.000 0.194 571 E C -0.139 176.410 176.600 -0.084 0.000 1.062 571 E CA -0.000 56.308 56.400 -0.153 0.000 0.867 571 E CB -0.522 29.018 29.700 -0.268 0.000 0.888 571 E HN 0.473 nan 8.360 nan 0.000 0.510 572 N N 0.409 119.068 118.700 -0.069 0.000 2.714 572 N HA -0.195 4.545 4.740 -0.000 0.000 0.253 572 N C -1.049 174.463 175.510 0.003 0.000 1.024 572 N CA 0.453 53.513 53.050 0.017 0.000 0.726 572 N CB -1.305 37.263 38.487 0.135 0.000 0.908 572 N HN 0.216 nan 8.380 nan 0.000 0.542 573 I N 0.465 120.966 120.570 -0.115 0.000 2.433 573 I HA 0.380 4.550 4.170 -0.000 0.000 0.292 573 I C 0.442 176.462 176.117 -0.163 0.000 1.001 573 I CA -0.899 60.318 61.300 -0.138 0.000 1.119 573 I CB 1.537 39.452 38.000 -0.142 0.000 1.289 573 I HN 0.032 nan 8.210 nan 0.000 0.438 574 I N 6.429 126.910 120.570 -0.148 0.000 2.379 574 I HA 0.127 4.297 4.170 -0.000 0.000 0.290 574 I C -0.321 175.732 176.117 -0.107 0.000 1.063 574 I CA -0.374 60.811 61.300 -0.191 0.000 1.351 574 I CB 0.865 38.746 38.000 -0.198 0.000 1.410 574 I HN 0.213 nan 8.210 nan 0.000 0.505 575 V N 7.191 127.040 119.914 -0.109 0.000 2.318 575 V HA 0.525 4.645 4.120 -0.000 0.000 0.271 575 V C 0.525 176.623 176.094 0.006 0.000 1.030 575 V CA -0.382 61.914 62.300 -0.007 0.000 0.844 575 V CB 0.848 32.666 31.823 -0.007 0.000 1.015 575 V HN 0.830 nan 8.190 nan 0.000 0.460 576 A N 4.181 127.033 122.820 0.053 0.000 2.330 576 A HA 0.946 5.266 4.320 -0.000 0.000 0.329 576 A C -0.064 177.674 177.584 0.258 0.000 1.135 576 A CA -0.489 51.585 52.037 0.063 0.000 0.817 576 A CB 1.664 20.525 19.000 -0.231 0.000 1.269 576 A HN 0.660 nan 8.150 nan 0.000 0.469 577 S N -0.597 115.315 115.700 0.354 0.000 2.595 577 S HA 0.792 5.262 4.470 -0.000 0.000 0.281 577 S C -1.543 173.439 174.600 0.637 0.000 1.117 577 S CA -0.285 58.169 58.200 0.424 0.000 0.873 577 S CB 1.397 64.778 63.200 0.303 0.000 1.108 577 S HN 0.772 nan 8.310 nan 0.000 0.477 578 F N 1.604 121.788 119.950 0.390 0.000 2.588 578 F HA 0.408 4.935 4.527 -0.000 0.000 0.314 578 F C -1.705 174.291 175.800 0.328 0.000 1.134 578 F CA -0.634 57.607 58.000 0.402 0.000 0.961 578 F CB 1.506 40.701 39.000 0.325 0.000 1.239 578 F HN 0.413 nan 8.300 nan 0.000 0.448 579 D N 4.828 125.109 120.400 -0.197 0.000 2.473 579 D HA 0.365 5.005 4.640 -0.000 0.000 0.226 579 D C 0.343 176.503 176.300 -0.232 0.000 1.089 579 D CA 0.107 54.075 54.000 -0.054 0.000 0.883 579 D CB 1.548 42.406 40.800 0.097 0.000 1.029 579 D HN 0.749 nan 8.370 nan 0.000 0.517 580 G N 1.232 110.005 108.800 -0.045 0.000 2.695 580 G HA2 0.278 4.238 3.960 -0.000 0.000 0.213 580 G HA3 0.278 4.238 3.960 -0.000 0.000 0.213 580 G C 0.160 175.187 174.900 0.210 0.000 1.406 580 G CA -0.720 44.383 45.100 0.005 0.000 1.049 580 G HN 0.283 nan 8.290 nan 0.000 0.573 581 R N -0.582 120.012 120.500 0.156 0.000 2.585 581 R HA 0.356 4.696 4.340 -0.000 0.000 0.275 581 R C 1.233 177.661 176.300 0.214 0.000 1.018 581 R CA 1.569 57.822 56.100 0.255 0.000 1.072 581 R CB 0.415 30.833 30.300 0.198 0.000 0.953 581 R HN 1.034 nan 8.270 nan 0.000 0.419 582 G N 1.268 110.178 108.800 0.184 0.000 2.284 582 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.216 582 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.216 582 G C 0.060 175.008 174.900 0.080 0.000 1.009 582 G CA 0.027 45.204 45.100 0.128 0.000 0.625 582 G HN 0.708 nan 8.290 nan 0.000 0.501 583 S N 0.690 116.457 115.700 0.111 0.000 2.579 583 S HA 0.594 5.064 4.470 -0.000 0.000 0.275 583 S C 0.881 175.491 174.600 0.018 0.000 1.345 583 S CA 0.519 58.773 58.200 0.089 0.000 1.031 583 S CB 1.762 65.045 63.200 0.138 0.000 0.892 583 S HN 1.662 nan 8.310 nan 0.000 0.529 584 G N -0.501 108.266 108.800 -0.055 0.000 2.613 584 G HA2 0.502 4.462 3.960 -0.000 0.000 0.303 584 G HA3 0.502 4.462 3.960 -0.000 0.000 0.303 584 G C -0.925 173.918 174.900 -0.095 0.000 1.312 584 G CA -1.086 43.883 45.100 -0.218 0.000 1.036 584 G HN 0.865 nan 8.290 nan 0.000 0.513 585 Y N -2.222 118.057 120.300 -0.035 0.000 4.668 585 Y HA -0.203 4.347 4.550 -0.000 0.000 0.234 585 Y C 1.444 177.313 175.900 -0.052 0.000 1.056 585 Y CA 1.054 59.133 58.100 -0.035 0.000 2.025 585 Y CB -2.096 36.365 38.460 0.001 0.000 1.613 585 Y HN 0.545 nan 8.280 nan 0.000 0.653 586 Q N -0.237 119.562 119.800 -0.002 0.000 2.086 586 Q HA 0.507 4.847 4.340 -0.000 0.000 0.220 586 Q C 0.886 176.695 176.000 -0.318 0.000 0.792 586 Q CA 0.236 56.015 55.803 -0.041 0.000 1.062 586 Q CB 1.699 30.430 28.738 -0.013 0.000 1.198 586 Q HN 0.560 nan 8.270 nan 0.000 0.466 587 G N 0.798 109.291 108.800 -0.511 0.000 2.675 587 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.686 587 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.686 587 G C -0.494 174.044 174.900 -0.603 0.000 1.215 587 G CA -0.608 43.961 45.100 -0.885 0.000 0.777 587 G HN 0.100 nan 8.290 nan 0.000 0.638 588 D N 0.234 120.243 120.400 -0.653 0.000 2.310 588 D HA -0.062 4.578 4.640 -0.000 0.000 0.212 588 D C 2.205 178.234 176.300 -0.452 0.000 0.965 588 D CA 1.341 54.898 54.000 -0.738 0.000 0.879 588 D CB 0.111 40.377 40.800 -0.889 0.000 0.921 588 D HN 0.505 nan 8.370 nan 0.000 0.510 589 K N 1.020 121.219 120.400 -0.335 0.000 2.057 589 K HA -0.064 4.256 4.320 -0.000 0.000 0.207 589 K C 1.877 178.413 176.600 -0.107 0.000 1.049 589 K CA 0.982 57.164 56.287 -0.176 0.000 0.931 589 K CB -0.324 32.087 32.500 -0.149 0.000 0.714 589 K HN 0.143 nan 8.250 nan 0.000 0.440 590 I N -0.268 120.220 120.570 -0.137 0.000 2.339 590 I HA -0.096 4.073 4.170 -0.000 0.000 0.245 590 I C 2.502 178.624 176.117 0.008 0.000 1.096 590 I CA 0.901 62.187 61.300 -0.025 0.000 1.408 590 I CB -0.141 37.834 38.000 -0.042 0.000 1.092 590 I HN 0.254 nan 8.210 nan 0.000 0.423 591 M N 0.228 119.768 119.600 -0.099 0.000 2.117 591 M HA -0.233 4.247 4.480 -0.000 0.000 0.262 591 M C 1.836 178.220 176.300 0.140 0.000 1.065 591 M CA 2.029 57.310 55.300 -0.032 0.000 1.114 591 M CB -0.330 32.165 32.600 -0.176 0.000 1.361 591 M HN 0.250 nan 8.290 nan 0.000 0.408 592 H N -0.492 118.510 119.070 -0.113 0.000 2.547 592 H HA 0.190 4.746 4.556 -0.000 0.000 0.266 592 H C 1.908 177.273 175.328 0.062 0.000 0.988 592 H CA 0.046 56.036 56.048 -0.096 0.000 1.147 592 H CB 0.156 29.755 29.762 -0.271 0.000 1.365 592 H HN 0.560 nan 8.280 nan 0.000 0.589 593 A N 1.726 124.671 122.820 0.209 0.000 1.908 593 A HA -0.163 4.157 4.320 -0.000 0.000 0.218 593 A C 2.042 179.841 177.584 0.358 0.000 1.181 593 A CA 1.274 53.456 52.037 0.241 0.000 0.627 593 A CB -0.688 18.433 19.000 0.201 0.000 0.818 593 A HN 0.568 nan 8.150 nan 0.000 0.445 594 I N -2.563 118.189 120.570 0.304 0.000 3.812 594 I HA 0.149 4.319 4.170 -0.000 0.000 0.319 594 I C 0.293 176.493 176.117 0.138 0.000 1.353 594 I CA -0.340 61.083 61.300 0.206 0.000 1.170 594 I CB -0.878 37.212 38.000 0.151 0.000 1.057 594 I HN 0.248 nan 8.210 nan 0.000 0.411 595 N N 2.748 121.566 118.700 0.197 0.000 2.447 595 N HA 0.011 4.751 4.740 -0.000 0.000 0.263 595 N C 0.193 175.734 175.510 0.051 0.000 1.226 595 N CA -0.044 53.121 53.050 0.192 0.000 0.906 595 N CB 0.330 38.907 38.487 0.150 0.000 1.060 595 N HN 0.400 nan 8.380 nan 0.000 0.468 596 R N 0.706 121.214 120.500 0.014 0.000 4.016 596 R HA -0.209 4.131 4.340 -0.000 0.000 0.385 596 R C 0.045 176.230 176.300 -0.193 0.000 1.158 596 R CA 0.876 56.943 56.100 -0.056 0.000 1.117 596 R CB -0.958 29.329 30.300 -0.022 0.000 1.635 596 R HN 0.568 nan 8.270 nan 0.000 0.560 597 R N 0.561 120.932 120.500 -0.215 0.000 2.690 597 R HA 0.254 4.594 4.340 -0.000 0.000 0.419 597 R C -0.761 175.462 176.300 -0.128 0.000 1.090 597 R CA -0.449 55.381 56.100 -0.450 0.000 1.064 597 R CB 0.480 30.540 30.300 -0.400 0.000 1.391 597 R HN -0.041 nan 8.270 nan 0.000 0.586 598 L N 0.234 121.470 121.223 0.022 0.000 2.559 598 L HA 0.180 4.520 4.340 -0.000 0.000 0.282 598 L C 1.284 178.400 176.870 0.410 0.000 1.232 598 L CA 1.841 56.752 54.840 0.118 0.000 0.885 598 L CB 0.563 42.476 42.059 -0.243 0.000 1.131 598 L HN 0.622 nan 8.230 nan 0.000 0.498 599 G N 1.283 110.344 108.800 0.436 0.000 2.165 599 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.226 599 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.226 599 G C 0.415 175.420 174.900 0.175 0.000 1.035 599 G CA 0.799 46.133 45.100 0.389 0.000 0.744 599 G HN 0.981 nan 8.290 nan 0.000 0.501 600 T N -3.985 110.613 114.554 0.074 0.000 2.977 600 T HA 0.473 4.823 4.350 -0.000 0.000 0.152 600 T C 1.598 176.286 174.700 -0.020 0.000 0.867 600 T CA 0.906 62.950 62.100 -0.094 0.000 0.917 600 T CB 0.050 68.658 68.868 -0.434 0.000 2.051 600 T HN 0.216 nan 8.240 nan 0.000 0.350 601 F N 3.306 123.303 119.950 0.078 0.000 2.120 601 F HA 0.036 4.562 4.527 -0.000 0.000 0.300 601 F C 2.672 178.515 175.800 0.071 0.000 1.095 601 F CA 1.488 59.524 58.000 0.059 0.000 1.249 601 F CB -1.085 37.950 39.000 0.059 0.000 0.995 601 F HN 0.619 nan 8.300 nan 0.000 0.480 602 E N 0.071 120.435 120.200 0.274 0.000 2.130 602 E HA -0.193 4.157 4.350 -0.000 0.000 0.196 602 E C 2.104 178.814 176.600 0.183 0.000 0.998 602 E CA 1.988 58.524 56.400 0.227 0.000 0.806 602 E CB -0.991 28.856 29.700 0.244 0.000 0.738 602 E HN 0.305 nan 8.360 nan 0.000 0.459 603 V N 1.592 121.586 119.914 0.134 0.000 2.346 603 V HA -0.176 3.944 4.120 -0.000 0.000 0.244 603 V C 2.137 178.268 176.094 0.062 0.000 1.037 603 V CA 2.042 64.377 62.300 0.059 0.000 1.029 603 V CB -0.485 31.328 31.823 -0.016 0.000 0.663 603 V HN 0.234 nan 8.190 nan 0.000 0.454 604 E N 0.224 120.478 120.200 0.090 0.000 2.106 604 E HA -0.222 4.128 4.350 -0.000 0.000 0.192 604 E C 1.857 178.484 176.600 0.044 0.000 0.984 604 E CA 1.439 57.886 56.400 0.078 0.000 0.806 604 E CB -0.196 29.579 29.700 0.126 0.000 0.750 604 E HN 0.559 nan 8.360 nan 0.000 0.458 605 D N 0.606 121.046 120.400 0.067 0.000 2.097 605 D HA -0.162 4.478 4.640 -0.000 0.000 0.195 605 D C 1.954 178.214 176.300 -0.066 0.000 0.989 605 D CA 0.926 54.927 54.000 0.002 0.000 0.827 605 D CB -0.239 40.621 40.800 0.101 0.000 0.966 605 D HN -0.024 nan 8.370 nan 0.000 0.456 606 Q N 0.240 120.082 119.800 0.069 0.000 2.152 606 Q HA -0.083 4.257 4.340 -0.000 0.000 0.206 606 Q C 2.088 178.120 176.000 0.053 0.000 0.985 606 Q CA 1.037 56.890 55.803 0.083 0.000 0.863 606 Q CB -0.290 28.529 28.738 0.135 0.000 0.904 606 Q HN 0.394 nan 8.270 nan 0.000 0.422 607 I N -0.273 120.342 120.570 0.075 0.000 2.233 607 I HA -0.184 3.986 4.170 -0.000 0.000 0.243 607 I C 2.191 178.271 176.117 -0.062 0.000 1.093 607 I CA 0.829 62.224 61.300 0.157 0.000 1.380 607 I CB -0.291 37.797 38.000 0.147 0.000 1.067 607 I HN 0.160 nan 8.210 nan 0.000 0.413 608 E N 1.231 121.336 120.200 -0.158 0.000 2.085 608 E HA -0.223 4.127 4.350 -0.000 0.000 0.194 608 E C 2.300 178.619 176.600 -0.469 0.000 0.994 608 E CA 1.551 57.796 56.400 -0.258 0.000 0.801 608 E CB -0.202 29.355 29.700 -0.238 0.000 0.743 608 E HN 0.464 nan 8.360 nan 0.000 0.453 609 A N 1.172 123.551 122.820 -0.735 0.000 1.908 609 A HA -0.174 4.146 4.320 -0.000 0.000 0.218 609 A C 2.420 179.346 177.584 -1.096 0.000 1.181 609 A CA 2.347 53.627 52.037 -1.261 0.000 0.627 609 A CB -0.635 17.371 19.000 -1.656 0.000 0.818 609 A HN 0.298 nan 8.150 nan 0.000 0.445 610 A N -0.287 122.245 122.820 -0.480 0.000 1.902 610 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 610 A C 2.265 179.701 177.584 -0.248 0.000 1.181 610 A CA 1.487 53.400 52.037 -0.207 0.000 0.623 610 A CB -0.458 18.407 19.000 -0.225 0.000 0.818 610 A HN 0.571 nan 8.150 nan 0.000 0.443 611 R N -0.875 119.452 120.500 -0.288 0.000 2.073 611 R HA -0.117 4.223 4.340 -0.000 0.000 0.234 611 R C 2.380 178.540 176.300 -0.234 0.000 1.134 611 R CA 1.358 57.323 56.100 -0.224 0.000 0.952 611 R CB -0.427 29.758 30.300 -0.191 0.000 0.850 611 R HN 0.532 nan 8.270 nan 0.000 0.433 612 Q N 0.101 119.692 119.800 -0.349 0.000 2.096 612 Q HA -0.150 4.190 4.340 -0.000 0.000 0.204 612 Q C 2.056 177.913 176.000 -0.237 0.000 0.982 612 Q CA 1.496 57.099 55.803 -0.332 0.000 0.850 612 Q CB -0.261 28.198 28.738 -0.466 0.000 0.901 612 Q HN 0.279 nan 8.270 nan 0.000 0.422 613 F N 0.504 120.312 119.950 -0.236 0.000 2.216 613 F HA -0.114 4.413 4.527 -0.000 0.000 0.300 613 F C 2.699 178.367 175.800 -0.219 0.000 1.085 613 F CA 1.020 58.889 58.000 -0.218 0.000 1.326 613 F CB -1.132 37.785 39.000 -0.138 0.000 1.027 613 F HN 0.027 nan 8.300 nan 0.000 0.497 614 S N -0.020 115.673 115.700 -0.011 0.000 2.383 614 S HA -0.163 4.307 4.470 -0.000 0.000 0.227 614 S C 2.048 176.569 174.600 -0.132 0.000 1.026 614 S CA 1.113 59.267 58.200 -0.076 0.000 0.981 614 S CB -0.214 62.933 63.200 -0.087 0.000 0.818 614 S HN 0.362 nan 8.310 nan 0.000 0.472 615 K N 0.485 120.804 120.400 -0.135 0.000 2.209 615 K HA 0.016 4.336 4.320 -0.000 0.000 0.204 615 K C 2.058 178.545 176.600 -0.188 0.000 1.048 615 K CA 1.338 57.542 56.287 -0.137 0.000 0.940 615 K CB -0.290 32.140 32.500 -0.116 0.000 0.729 615 K HN 0.477 nan 8.250 nan 0.000 0.451 616 M N -0.380 119.058 119.600 -0.270 0.000 2.435 616 M HA -0.122 4.357 4.480 -0.000 0.000 0.262 616 M C 1.428 177.374 176.300 -0.590 0.000 1.065 616 M CA 1.532 56.561 55.300 -0.451 0.000 1.076 616 M CB -0.271 31.936 32.600 -0.655 0.000 1.403 616 M HN 0.552 nan 8.290 nan 0.000 0.454 617 G N 0.375 108.905 108.800 -0.450 0.000 2.217 617 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.246 617 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.246 617 G C 0.390 175.188 174.900 -0.170 0.000 0.990 617 G CA 0.320 45.256 45.100 -0.274 0.000 0.627 617 G HN 0.588 nan 8.290 nan 0.000 0.522 618 F N 0.348 120.356 119.950 0.097 0.000 2.772 618 F HA 0.777 5.304 4.527 -0.000 0.000 0.302 618 F C 0.046 175.955 175.800 0.181 0.000 1.136 618 F CA -1.867 56.223 58.000 0.150 0.000 1.322 618 F CB -0.072 39.084 39.000 0.259 0.000 0.967 618 F HN 0.077 nan 8.300 nan 0.000 0.513 619 V N 1.148 121.170 119.914 0.180 0.000 2.540 619 V HA 0.234 4.354 4.120 -0.000 0.000 0.302 619 V C -0.672 175.451 176.094 0.048 0.000 1.035 619 V CA -0.809 61.585 62.300 0.157 0.000 0.873 619 V CB 1.794 33.678 31.823 0.101 0.000 0.992 619 V HN 0.090 nan 8.190 nan 0.000 0.428 620 D N 4.056 124.473 120.400 0.029 0.000 2.344 620 D HA 0.065 4.705 4.640 -0.000 0.000 0.253 620 D C 1.192 177.484 176.300 -0.014 0.000 1.255 620 D CA 0.280 54.270 54.000 -0.016 0.000 0.894 620 D CB 0.562 41.330 40.800 -0.052 0.000 1.067 620 D HN 0.463 nan 8.370 nan 0.000 0.492 621 N N 3.138 121.825 118.700 -0.022 0.000 2.137 621 N HA -0.177 4.563 4.740 -0.000 0.000 0.190 621 N C 0.817 176.319 175.510 -0.014 0.000 1.017 621 N CA 0.985 54.017 53.050 -0.031 0.000 0.859 621 N CB 0.150 38.613 38.487 -0.040 0.000 1.002 621 N HN 0.500 nan 8.380 nan 0.000 0.428 622 K N 0.485 120.887 120.400 0.004 0.000 2.522 622 K HA 0.110 4.430 4.320 -0.000 0.000 0.194 622 K C 0.000 176.653 176.600 0.088 0.000 1.026 622 K CA 0.204 56.511 56.287 0.033 0.000 1.119 622 K CB 0.374 32.889 32.500 0.025 0.000 0.856 622 K HN 0.027 nan 8.250 nan 0.000 0.513 623 R N 1.012 121.573 120.500 0.102 0.000 2.684 623 R HA 0.321 4.661 4.340 -0.000 0.000 0.252 623 R C -1.170 175.309 176.300 0.299 0.000 1.628 623 R CA -0.096 56.155 56.100 0.252 0.000 1.622 623 R CB 0.670 31.011 30.300 0.068 0.000 1.418 623 R HN -0.006 nan 8.270 nan 0.000 0.697 624 I N 1.266 122.019 120.570 0.304 0.000 2.410 624 I HA 0.560 4.730 4.170 -0.000 0.000 0.286 624 I C -0.032 176.342 176.117 0.428 0.000 1.009 624 I CA -0.755 60.710 61.300 0.276 0.000 1.111 624 I CB 1.845 39.844 38.000 -0.002 0.000 1.262 624 I HN 0.320 nan 8.210 nan 0.000 0.443 625 A N 7.320 130.477 122.820 0.563 0.000 2.322 625 A HA 0.908 5.228 4.320 -0.000 0.000 0.327 625 A C -0.934 176.998 177.584 0.580 0.000 1.134 625 A CA -0.640 51.695 52.037 0.497 0.000 0.831 625 A CB 1.871 21.028 19.000 0.262 0.000 1.288 625 A HN 0.741 nan 8.150 nan 0.000 0.472 626 I N 1.019 121.871 120.570 0.469 0.000 2.656 626 I HA 0.668 4.838 4.170 -0.000 0.000 0.292 626 I C -1.775 174.607 176.117 0.441 0.000 1.144 626 I CA -0.607 60.915 61.300 0.371 0.000 1.038 626 I CB 1.452 39.422 38.000 -0.050 0.000 1.244 626 I HN 0.931 nan 8.210 nan 0.000 0.420 627 W N 7.167 128.616 121.300 0.249 0.000 3.075 627 W HA 0.875 5.535 4.660 -0.000 0.000 0.334 627 W C -1.433 175.254 176.519 0.280 0.000 1.243 627 W CA -1.066 56.439 57.345 0.267 0.000 1.170 627 W CB 1.165 30.840 29.460 0.358 0.000 1.452 627 W HN 0.818 nan 8.180 nan 0.000 0.572 628 G N 0.553 109.341 108.800 -0.019 0.000 2.547 628 G HA2 0.455 4.415 3.960 -0.000 0.000 0.291 628 G HA3 0.455 4.415 3.960 -0.000 0.000 0.291 628 G C -2.838 172.062 174.900 0.000 0.000 1.471 628 G CA -0.723 44.196 45.100 -0.303 0.000 0.798 628 G HN 0.636 nan 8.290 nan 0.000 0.504 629 W N 1.093 122.284 121.300 -0.182 0.000 2.736 629 W HA 0.634 5.294 4.660 -0.000 0.000 0.335 629 W C 0.755 177.302 176.519 0.046 0.000 1.059 629 W CA 0.341 57.671 57.345 -0.025 0.000 1.226 629 W CB 1.886 31.343 29.460 -0.006 0.000 1.416 629 W HN 1.277 nan 8.180 nan 0.000 0.505 630 S N 2.374 118.344 115.700 0.451 0.000 4.116 630 S HA -0.424 4.046 4.470 -0.000 0.000 0.623 630 S C 1.058 175.772 174.600 0.189 0.000 1.933 630 S CA 1.737 60.195 58.200 0.430 0.000 4.224 630 S CB -1.838 61.731 63.200 0.615 0.000 0.208 630 S HN 0.758 nan 8.310 nan 0.000 0.527 631 Y N 2.444 122.734 120.300 -0.017 0.000 2.333 631 Y HA 0.072 4.622 4.550 -0.000 0.000 0.290 631 Y C 2.242 178.061 175.900 -0.136 0.000 1.144 631 Y CA 2.330 60.325 58.100 -0.176 0.000 1.228 631 Y CB -0.919 37.244 38.460 -0.495 0.000 0.985 631 Y HN 0.497 nan 8.280 nan 0.000 0.542 632 G N -1.136 107.686 108.800 0.037 0.000 2.448 632 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.218 632 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.218 632 G C 1.898 176.835 174.900 0.061 0.000 1.135 632 G CA 0.590 45.732 45.100 0.071 0.000 0.784 632 G HN 0.552 nan 8.290 nan 0.000 0.543 633 G N 0.160 109.007 108.800 0.080 0.000 2.404 633 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.215 633 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.215 633 G C 1.577 176.506 174.900 0.048 0.000 1.174 633 G CA 1.112 46.253 45.100 0.068 0.000 0.780 633 G HN 0.394 nan 8.290 nan 0.000 0.537 634 Y N 1.529 121.740 120.300 -0.148 0.000 2.070 634 Y HA -0.181 4.369 4.550 -0.000 0.000 0.280 634 Y C 2.816 178.627 175.900 -0.148 0.000 1.148 634 Y CA 1.868 59.828 58.100 -0.234 0.000 1.125 634 Y CB -0.666 37.500 38.460 -0.490 0.000 0.975 634 Y HN 0.025 nan 8.280 nan 0.000 0.492 635 V N -0.057 119.688 119.914 -0.282 0.000 2.332 635 V HA -0.368 3.752 4.120 -0.000 0.000 0.248 635 V C 2.345 178.311 176.094 -0.214 0.000 1.055 635 V CA 2.519 64.653 62.300 -0.275 0.000 1.038 635 V CB -1.304 30.536 31.823 0.028 0.000 0.651 635 V HN 0.534 nan 8.190 nan 0.000 0.450 636 T N -0.186 114.308 114.554 -0.100 0.000 2.720 636 T HA -0.184 4.166 4.350 -0.000 0.000 0.268 636 T C 2.126 176.776 174.700 -0.083 0.000 1.037 636 T CA 1.915 63.975 62.100 -0.066 0.000 1.144 636 T CB -0.243 68.667 68.868 0.069 0.000 0.864 636 T HN 0.553 nan 8.240 nan 0.000 0.444 637 S N 1.238 116.914 115.700 -0.041 0.000 2.355 637 S HA -0.010 4.460 4.470 -0.000 0.000 0.222 637 S C 2.171 176.688 174.600 -0.139 0.000 1.031 637 S CA 0.907 59.112 58.200 0.008 0.000 0.993 637 S CB -0.299 62.947 63.200 0.077 0.000 0.859 637 S HN 0.322 nan 8.310 nan 0.000 0.453 638 M N 1.108 120.546 119.600 -0.270 0.000 2.106 638 M HA -0.078 4.402 4.480 -0.000 0.000 0.259 638 M C 2.225 178.365 176.300 -0.268 0.000 1.068 638 M CA 1.188 56.310 55.300 -0.296 0.000 1.100 638 M CB -1.454 30.875 32.600 -0.451 0.000 1.351 638 M HN 0.182 nan 8.290 nan 0.000 0.404 639 V N 0.496 120.241 119.914 -0.281 0.000 2.358 639 V HA -0.231 3.889 4.120 -0.000 0.000 0.246 639 V C 2.523 178.410 176.094 -0.345 0.000 1.047 639 V CA 1.316 63.441 62.300 -0.291 0.000 1.035 639 V CB -0.576 31.007 31.823 -0.401 0.000 0.658 639 V HN 0.410 nan 8.190 nan 0.000 0.452 640 L N 0.386 121.357 121.223 -0.421 0.000 2.191 640 L HA -0.078 4.262 4.340 -0.000 0.000 0.212 640 L C 2.087 178.445 176.870 -0.854 0.000 1.103 640 L CA 1.526 56.040 54.840 -0.542 0.000 0.769 640 L CB -0.657 41.078 42.059 -0.540 0.000 0.908 640 L HN 0.494 nan 8.230 nan 0.000 0.438 641 G N -1.559 106.732 108.800 -0.850 0.000 3.448 641 G HA2 0.033 3.993 3.960 -0.000 0.000 0.261 641 G HA3 0.033 3.993 3.960 -0.000 0.000 0.261 641 G C 1.335 176.043 174.900 -0.319 0.000 1.173 641 G CA 0.515 45.173 45.100 -0.737 0.000 0.835 641 G HN 0.406 nan 8.290 nan 0.000 0.534 642 S N -0.919 114.630 115.700 -0.252 0.000 2.458 642 S HA 0.309 4.779 4.470 -0.000 0.000 0.223 642 S C 1.925 176.474 174.600 -0.086 0.000 1.019 642 S CA 1.054 59.176 58.200 -0.128 0.000 0.937 642 S CB -0.026 63.123 63.200 -0.085 0.000 0.788 642 S HN 1.367 nan 8.310 nan 0.000 0.511 643 G N 1.456 110.197 108.800 -0.097 0.000 2.136 643 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.242 643 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.242 643 G C 0.149 175.038 174.900 -0.019 0.000 0.989 643 G CA 0.247 45.314 45.100 -0.055 0.000 0.682 643 G HN 1.493 nan 8.290 nan 0.000 0.522 644 S N -0.015 115.687 115.700 0.003 0.000 2.790 644 S HA 0.544 5.014 4.470 -0.000 0.000 0.202 644 S C 1.202 175.827 174.600 0.041 0.000 1.383 644 S CA 0.426 58.640 58.200 0.023 0.000 1.026 644 S CB 0.917 64.143 63.200 0.043 0.000 1.253 644 S HN 1.727 nan 8.310 nan 0.000 0.489 645 G N 1.630 110.441 108.800 0.019 0.000 2.471 645 G HA2 0.032 3.992 3.960 -0.000 0.000 0.264 645 G HA3 0.032 3.992 3.960 -0.000 0.000 0.264 645 G C 0.551 175.444 174.900 -0.012 0.000 0.633 645 G CA 0.170 45.281 45.100 0.019 0.000 1.994 645 G HN 0.674 nan 8.290 nan 0.000 0.561 646 V N -0.424 119.475 119.914 -0.025 0.000 3.212 646 V HA 0.301 4.421 4.120 -0.000 0.000 0.244 646 V C 0.572 176.435 176.094 -0.385 0.000 1.151 646 V CA 0.466 62.610 62.300 -0.259 0.000 1.119 646 V CB -0.168 31.381 31.823 -0.457 0.000 0.838 646 V HN 0.340 nan 8.190 nan 0.000 0.470 647 F N 0.296 120.270 119.950 0.040 0.000 2.443 647 F HA 0.436 4.963 4.527 -0.000 0.000 0.335 647 F C 1.139 176.983 175.800 0.073 0.000 1.104 647 F CA -0.495 57.551 58.000 0.077 0.000 1.013 647 F CB 1.639 40.687 39.000 0.080 0.000 1.136 647 F HN -0.246 nan 8.300 nan 0.000 0.470 648 K N 1.489 122.042 120.400 0.254 0.000 2.098 648 K HA 0.096 4.416 4.320 -0.000 0.000 0.203 648 K C 0.038 176.737 176.600 0.165 0.000 1.051 648 K CA 0.959 57.345 56.287 0.166 0.000 0.957 648 K CB 0.238 32.818 32.500 0.134 0.000 0.738 648 K HN 0.810 nan 8.250 nan 0.000 0.447 649 c N -2.527 116.191 118.600 0.197 0.000 3.340 649 c HA 0.927 5.497 4.570 -0.000 0.000 0.333 649 c C -0.147 174.153 174.090 0.350 0.000 1.464 649 c CA -0.578 55.904 56.329 0.254 0.000 1.337 649 c CB 1.054 43.605 42.510 0.068 0.000 1.740 649 c HN 0.376 nan 8.230 nan 0.000 0.450 650 G N -0.131 108.968 108.800 0.498 0.000 2.655 650 G HA2 0.642 4.602 3.960 -0.000 0.000 0.296 650 G HA3 0.642 4.602 3.960 -0.000 0.000 0.296 650 G C -1.900 173.268 174.900 0.446 0.000 1.485 650 G CA -0.601 44.767 45.100 0.447 0.000 0.869 650 G HN 0.932 nan 8.290 nan 0.000 0.540 651 I N 0.720 121.527 120.570 0.395 0.000 2.509 651 I HA 0.682 4.852 4.170 -0.000 0.000 0.293 651 I C 0.189 176.471 176.117 0.275 0.000 1.020 651 I CA -1.071 60.353 61.300 0.206 0.000 1.088 651 I CB 2.373 40.485 38.000 0.186 0.000 1.267 651 I HN 0.671 nan 8.210 nan 0.000 0.430 652 A N 6.118 128.988 122.820 0.083 0.000 2.332 652 A HA 0.727 5.047 4.320 -0.000 0.000 0.300 652 A C -0.877 176.659 177.584 -0.081 0.000 1.153 652 A CA -0.494 51.595 52.037 0.088 0.000 0.764 652 A CB 1.102 20.199 19.000 0.161 0.000 1.174 652 A HN 0.424 nan 8.150 nan 0.000 0.467 653 V N 2.135 121.962 119.914 -0.145 0.000 2.370 653 V HA 0.557 4.677 4.120 -0.000 0.000 0.279 653 V C 1.031 176.757 176.094 -0.612 0.000 1.029 653 V CA 0.387 62.364 62.300 -0.537 0.000 0.870 653 V CB 0.695 31.878 31.823 -1.065 0.000 0.984 653 V HN 2.121 nan 8.190 nan 0.000 0.451 654 A N 5.733 128.172 122.820 -0.635 0.000 2.560 654 A HA -0.107 4.213 4.320 -0.000 0.000 0.299 654 A C -1.566 175.857 177.584 -0.269 0.000 1.484 654 A CA 0.452 51.998 52.037 -0.817 0.000 0.749 654 A CB -1.604 17.034 19.000 -0.603 0.000 1.072 654 A HN 0.640 nan 8.150 nan 0.000 0.426 655 P HA 0.430 nan 4.420 nan 0.000 0.276 655 P C 0.019 177.293 177.300 -0.043 0.000 1.261 655 P CA -0.263 62.822 63.100 -0.025 0.000 0.800 655 P CB 1.143 32.856 31.700 0.022 0.000 1.066 656 V N 1.270 121.079 119.914 -0.174 0.000 2.481 656 V HA 0.133 4.253 4.120 -0.000 0.000 0.286 656 V C 1.582 177.490 176.094 -0.310 0.000 1.042 656 V CA 0.473 62.520 62.300 -0.423 0.000 0.928 656 V CB 1.110 32.295 31.823 -1.063 0.000 0.986 656 V HN 0.797 nan 8.190 nan 0.000 0.462 657 S N 4.746 120.291 115.700 -0.260 0.000 2.566 657 S HA 0.220 4.690 4.470 -0.000 0.000 0.234 657 S C 0.545 174.958 174.600 -0.312 0.000 1.075 657 S CA -0.369 57.738 58.200 -0.155 0.000 0.926 657 S CB 0.238 63.422 63.200 -0.028 0.000 0.811 657 S HN 0.793 nan 8.310 nan 0.000 0.518 658 R N -1.071 119.134 120.500 -0.493 0.000 2.564 658 R HA 0.508 4.848 4.340 -0.000 0.000 0.284 658 R C -0.876 175.083 176.300 -0.570 0.000 1.031 658 R CA -0.905 54.849 56.100 -0.577 0.000 0.904 658 R CB 0.197 30.119 30.300 -0.630 0.000 1.199 658 R HN 0.183 nan 8.270 nan 0.000 0.443 659 W N 1.399 122.605 121.300 -0.157 0.000 2.424 659 W HA -0.054 4.606 4.660 -0.000 0.000 0.264 659 W C 1.127 177.777 176.519 0.218 0.000 1.229 659 W CA 0.756 58.097 57.345 -0.006 0.000 1.208 659 W CB 0.197 29.559 29.460 -0.162 0.000 1.127 659 W HN 0.741 nan 8.180 nan 0.000 0.588 660 E N -1.082 119.290 120.200 0.286 0.000 2.409 660 E HA -0.182 4.168 4.350 -0.000 0.000 0.198 660 E C 1.337 178.093 176.600 0.260 0.000 1.024 660 E CA 0.740 57.274 56.400 0.223 0.000 0.861 660 E CB -0.169 29.551 29.700 0.033 0.000 0.788 660 E HN 0.358 nan 8.360 nan 0.000 0.521 661 Y N -1.389 119.003 120.300 0.152 0.000 2.490 661 Y HA 0.026 4.576 4.550 -0.000 0.000 0.285 661 Y C 0.804 176.806 175.900 0.170 0.000 1.117 661 Y CA -0.218 57.942 58.100 0.101 0.000 1.262 661 Y CB -0.477 37.985 38.460 0.002 0.000 1.043 661 Y HN 0.017 nan 8.280 nan 0.000 0.553 662 Y N 2.225 122.687 120.300 0.270 0.000 2.295 662 Y HA 0.227 4.777 4.550 -0.000 0.000 0.331 662 Y C 0.550 176.664 175.900 0.356 0.000 1.311 662 Y CA -1.788 56.479 58.100 0.278 0.000 1.430 662 Y CB 0.238 38.911 38.460 0.355 0.000 1.339 662 Y HN 0.226 nan 8.280 nan 0.000 0.552 663 D N -0.507 119.593 120.400 -0.500 0.000 2.362 663 D HA 0.067 4.707 4.640 -0.000 0.000 0.238 663 D C 0.978 177.281 176.300 0.004 0.000 1.212 663 D CA 0.414 54.228 54.000 -0.310 0.000 0.902 663 D CB 0.671 41.044 40.800 -0.713 0.000 1.180 663 D HN 0.470 nan 8.370 nan 0.000 0.445 664 S N 0.572 116.279 115.700 0.012 0.000 2.345 664 S HA -0.203 4.267 4.470 -0.000 0.000 0.220 664 S C 1.964 176.607 174.600 0.072 0.000 1.031 664 S CA 1.098 59.355 58.200 0.095 0.000 0.996 664 S CB -1.034 62.227 63.200 0.101 0.000 0.882 664 S HN 0.429 nan 8.310 nan 0.000 0.445 665 V N 1.118 121.016 119.914 -0.027 0.000 2.231 665 V HA -0.221 3.899 4.120 -0.000 0.000 0.248 665 V C 2.334 178.369 176.094 -0.098 0.000 1.054 665 V CA 2.439 64.639 62.300 -0.167 0.000 1.015 665 V CB -1.136 30.455 31.823 -0.388 0.000 0.638 665 V HN 0.611 nan 8.190 nan 0.000 0.444 666 Y N 1.302 121.568 120.300 -0.058 0.000 2.133 666 Y HA -0.225 4.325 4.550 -0.000 0.000 0.287 666 Y C 2.734 178.632 175.900 -0.004 0.000 1.134 666 Y CA 2.305 60.438 58.100 0.054 0.000 1.133 666 Y CB -0.751 37.959 38.460 0.418 0.000 0.987 666 Y HN 0.260 nan 8.280 nan 0.000 0.502 667 T N 0.361 115.190 114.554 0.458 0.000 2.622 667 T HA -0.239 4.111 4.350 -0.000 0.000 0.266 667 T C 1.628 176.303 174.700 -0.042 0.000 1.047 667 T CA 1.997 64.251 62.100 0.256 0.000 1.159 667 T CB -0.445 68.712 68.868 0.481 0.000 0.863 667 T HN 0.422 nan 8.240 nan 0.000 0.422 668 E N 0.515 120.734 120.200 0.033 0.000 2.160 668 E HA -0.167 4.183 4.350 -0.000 0.000 0.195 668 E C 2.351 178.839 176.600 -0.186 0.000 0.991 668 E CA 0.755 57.161 56.400 0.011 0.000 0.810 668 E CB -0.167 29.583 29.700 0.083 0.000 0.742 668 E HN 0.340 nan 8.360 nan 0.000 0.466 669 R N -0.149 120.088 120.500 -0.439 0.000 2.139 669 R HA -0.205 4.135 4.340 -0.000 0.000 0.243 669 R C 1.223 176.978 176.300 -0.909 0.000 1.145 669 R CA 1.633 57.285 56.100 -0.748 0.000 0.976 669 R CB -0.004 29.558 30.300 -1.231 0.000 0.866 669 R HN 0.251 nan 8.270 nan 0.000 0.449 670 Y N -2.371 117.627 120.300 -0.504 0.000 2.535 670 Y HA 0.230 4.780 4.550 -0.000 0.000 0.266 670 Y C 1.691 177.416 175.900 -0.292 0.000 1.088 670 Y CA -0.007 57.796 58.100 -0.495 0.000 1.285 670 Y CB 0.376 38.419 38.460 -0.696 0.000 1.166 670 Y HN -0.049 nan 8.280 nan 0.000 0.525 671 M N -0.259 119.231 119.600 -0.183 0.000 2.337 671 M HA 0.365 4.845 4.480 -0.000 0.000 0.256 671 M C 1.035 177.368 176.300 0.054 0.000 1.075 671 M CA 0.782 55.978 55.300 -0.173 0.000 1.024 671 M CB -0.439 31.826 32.600 -0.559 0.000 1.429 671 M HN 0.339 nan 8.290 nan 0.000 0.497 672 G N 1.834 110.677 108.800 0.072 0.000 2.698 672 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.233 672 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.233 672 G C -0.769 174.277 174.900 0.243 0.000 1.352 672 G CA -0.859 44.320 45.100 0.131 0.000 0.879 672 G HN 0.247 nan 8.290 nan 0.000 0.567 673 L N 2.682 124.004 121.223 0.164 0.000 2.349 673 L HA 0.445 4.785 4.340 -0.000 0.000 0.275 673 L C -0.957 175.912 176.870 -0.002 0.000 1.115 673 L CA -1.610 53.283 54.840 0.088 0.000 0.820 673 L CB 1.011 43.090 42.059 0.034 0.000 1.135 673 L HN 0.435 nan 8.230 nan 0.000 0.445 674 P HA 0.043 nan 4.420 nan 0.000 0.237 674 P C -0.505 176.620 177.300 -0.292 0.000 1.723 674 P CA -0.131 62.497 63.100 -0.786 0.000 0.882 674 P CB -0.545 30.363 31.700 -1.320 0.000 1.810 675 T N -3.413 111.071 114.554 -0.115 0.000 2.912 675 T HA 0.420 4.770 4.350 -0.000 0.000 0.288 675 T C -1.784 172.910 174.700 -0.009 0.000 1.030 675 T CA -2.445 59.622 62.100 -0.054 0.000 1.020 675 T CB 2.004 70.854 68.868 -0.030 0.000 1.056 675 T HN -0.212 nan 8.240 nan 0.000 0.480 676 P HA -0.157 nan 4.420 nan 0.000 0.216 676 P C 0.843 178.157 177.300 0.023 0.000 1.150 676 P CA 1.360 64.469 63.100 0.015 0.000 0.843 676 P CB 0.257 31.963 31.700 0.009 0.000 0.787 677 E N -0.079 120.131 120.200 0.016 0.000 2.031 677 E HA -0.129 4.221 4.350 -0.000 0.000 0.193 677 E C 1.799 178.417 176.600 0.031 0.000 0.994 677 E CA 1.091 57.502 56.400 0.020 0.000 0.800 677 E CB -0.971 28.736 29.700 0.012 0.000 0.752 677 E HN 0.301 nan 8.360 nan 0.000 0.447 678 D N -0.166 120.256 120.400 0.037 0.000 1.992 678 D HA -0.017 4.623 4.640 -0.000 0.000 0.304 678 D C 0.380 176.733 176.300 0.089 0.000 1.099 678 D CA 0.419 54.453 54.000 0.058 0.000 0.846 678 D CB -0.141 40.697 40.800 0.063 0.000 1.011 678 D HN 0.006 nan 8.370 nan 0.000 0.336 679 N N -0.048 118.738 118.700 0.143 0.000 2.380 679 N HA 0.028 4.768 4.740 -0.000 0.000 0.255 679 N C 1.285 176.988 175.510 0.323 0.000 1.158 679 N CA -0.270 52.913 53.050 0.222 0.000 0.878 679 N CB 0.254 38.896 38.487 0.257 0.000 1.138 679 N HN 0.070 nan 8.380 nan 0.000 0.509 680 L N 0.916 122.244 121.223 0.175 0.000 2.012 680 L HA -0.175 4.165 4.340 -0.000 0.000 0.210 680 L C 1.570 178.552 176.870 0.186 0.000 1.073 680 L CA 1.961 56.878 54.840 0.128 0.000 0.748 680 L CB -0.488 41.584 42.059 0.022 0.000 0.891 680 L HN 0.202 nan 8.230 nan 0.000 0.431 681 D N -1.267 119.223 120.400 0.150 0.000 2.149 681 D HA -0.295 4.345 4.640 -0.000 0.000 0.194 681 D C 2.034 178.436 176.300 0.169 0.000 1.001 681 D CA 1.984 56.065 54.000 0.134 0.000 0.849 681 D CB -0.167 40.700 40.800 0.112 0.000 0.939 681 D HN 0.590 nan 8.370 nan 0.000 0.449 682 H N -0.918 118.227 119.070 0.126 0.000 2.470 682 H HA -0.043 4.513 4.556 -0.000 0.000 0.289 682 H C 1.664 177.078 175.328 0.144 0.000 1.033 682 H CA 0.985 57.091 56.048 0.096 0.000 1.331 682 H CB -0.281 29.505 29.762 0.040 0.000 1.414 682 H HN 0.135 nan 8.280 nan 0.000 0.545 683 Y N 0.154 120.466 120.300 0.020 0.000 2.256 683 Y HA -0.176 4.374 4.550 -0.000 0.000 0.288 683 Y C 2.150 178.023 175.900 -0.045 0.000 1.155 683 Y CA 1.357 59.470 58.100 0.022 0.000 1.203 683 Y CB 0.213 38.712 38.460 0.065 0.000 0.980 683 Y HN 0.154 nan 8.280 nan 0.000 0.530 684 R N -0.918 119.646 120.500 0.106 0.000 2.189 684 R HA 0.001 4.341 4.340 -0.000 0.000 0.203 684 R C 1.501 177.785 176.300 -0.026 0.000 1.012 684 R CA 0.465 56.581 56.100 0.026 0.000 1.015 684 R CB -0.639 29.682 30.300 0.035 0.000 0.938 684 R HN 0.327 nan 8.270 nan 0.000 0.472 685 N N 1.279 119.943 118.700 -0.059 0.000 2.515 685 N HA -0.056 4.684 4.740 -0.000 0.000 0.185 685 N C 0.158 175.589 175.510 -0.132 0.000 1.109 685 N CA 0.669 53.679 53.050 -0.065 0.000 0.903 685 N CB 0.354 38.844 38.487 0.004 0.000 0.969 685 N HN 0.124 nan 8.380 nan 0.000 0.450 686 S N -0.937 114.637 115.700 -0.210 0.000 2.651 686 S HA 0.100 4.570 4.470 -0.000 0.000 0.246 686 S C 0.475 175.091 174.600 0.028 0.000 1.039 686 S CA -0.777 57.358 58.200 -0.109 0.000 1.013 686 S CB -0.107 62.962 63.200 -0.218 0.000 0.861 686 S HN 0.164 nan 8.310 nan 0.000 0.485 687 T N -1.622 112.915 114.554 -0.028 0.000 2.874 687 T HA 0.539 4.889 4.350 -0.000 0.000 0.281 687 T C 1.298 175.989 174.700 -0.015 0.000 0.994 687 T CA -0.575 61.495 62.100 -0.051 0.000 1.015 687 T CB 1.214 70.024 68.868 -0.097 0.000 1.028 687 T HN -0.039 nan 8.240 nan 0.000 0.523 688 V N 1.701 121.601 119.914 -0.022 0.000 2.407 688 V HA -0.110 4.010 4.120 -0.000 0.000 0.245 688 V C 2.739 178.818 176.094 -0.026 0.000 1.041 688 V CA 1.445 63.735 62.300 -0.017 0.000 1.040 688 V CB -0.814 30.991 31.823 -0.031 0.000 0.671 688 V HN 0.866 nan 8.190 nan 0.000 0.455 689 M N 1.265 120.827 119.600 -0.063 0.000 2.267 689 M HA -0.105 4.375 4.480 -0.000 0.000 0.263 689 M C 2.262 178.544 176.300 -0.030 0.000 1.063 689 M CA 2.116 57.374 55.300 -0.069 0.000 1.090 689 M CB -1.969 30.592 32.600 -0.065 0.000 1.392 689 M HN 0.558 nan 8.290 nan 0.000 0.422 690 S N 0.677 116.365 115.700 -0.020 0.000 2.547 690 S HA -0.039 4.431 4.470 -0.000 0.000 0.235 690 S C 1.510 176.117 174.600 0.012 0.000 0.980 690 S CA 0.394 58.590 58.200 -0.007 0.000 0.941 690 S CB -0.335 62.858 63.200 -0.012 0.000 0.763 690 S HN 0.639 nan 8.310 nan 0.000 0.532 691 R N -0.054 120.469 120.500 0.039 0.000 2.596 691 R HA 0.533 4.873 4.340 -0.000 0.000 0.369 691 R C 1.872 178.286 176.300 0.190 0.000 1.042 691 R CA 0.455 56.596 56.100 0.069 0.000 1.120 691 R CB -0.026 30.291 30.300 0.029 0.000 1.353 691 R HN 0.365 nan 8.270 nan 0.000 0.564 692 A N 1.331 124.230 122.820 0.132 0.000 1.892 692 A HA -0.299 4.021 4.320 -0.000 0.000 0.218 692 A C 2.026 179.722 177.584 0.187 0.000 1.188 692 A CA 2.053 54.159 52.037 0.115 0.000 0.631 692 A CB -0.275 18.703 19.000 -0.036 0.000 0.822 692 A HN 0.319 nan 8.150 nan 0.000 0.447 693 E N 0.771 121.034 120.200 0.104 0.000 2.065 693 E HA -0.242 4.108 4.350 -0.000 0.000 0.201 693 E C 1.565 178.216 176.600 0.086 0.000 1.016 693 E CA 2.186 58.635 56.400 0.081 0.000 0.818 693 E CB -0.552 29.176 29.700 0.046 0.000 0.749 693 E HN 0.702 nan 8.360 nan 0.000 0.453 694 N N -0.743 117.986 118.700 0.049 0.000 2.430 694 N HA -0.116 4.624 4.740 -0.000 0.000 0.186 694 N C 0.948 176.411 175.510 -0.079 0.000 1.032 694 N CA 0.738 53.765 53.050 -0.038 0.000 0.893 694 N CB -0.318 38.096 38.487 -0.121 0.000 0.957 694 N HN 0.177 nan 8.380 nan 0.000 0.442 695 F N 1.027 120.935 119.950 -0.069 0.000 2.722 695 F HA 0.018 4.545 4.527 -0.000 0.000 0.298 695 F C 1.671 177.473 175.800 0.004 0.000 1.175 695 F CA 0.644 58.597 58.000 -0.078 0.000 1.462 695 F CB 0.009 38.917 39.000 -0.153 0.000 1.111 695 F HN 0.014 nan 8.300 nan 0.000 0.592 696 K N 0.119 120.607 120.400 0.147 0.000 2.288 696 K HA -0.115 4.205 4.320 -0.000 0.000 0.201 696 K C 1.494 178.153 176.600 0.097 0.000 1.048 696 K CA 0.869 57.232 56.287 0.127 0.000 0.956 696 K CB -0.098 32.457 32.500 0.093 0.000 0.746 696 K HN 0.435 nan 8.250 nan 0.000 0.461 697 Q N 0.661 120.495 119.800 0.057 0.000 2.222 697 Q HA 0.105 4.445 4.340 -0.000 0.000 0.206 697 Q C 0.003 176.037 176.000 0.058 0.000 0.877 697 Q CA -0.140 55.691 55.803 0.047 0.000 0.958 697 Q CB 0.306 29.056 28.738 0.020 0.000 1.075 697 Q HN 0.052 nan 8.270 nan 0.000 0.483 698 V N -3.438 116.530 119.914 0.089 0.000 3.147 698 V HA 0.509 4.629 4.120 -0.000 0.000 0.306 698 V C -1.445 174.790 176.094 0.235 0.000 1.209 698 V CA -1.235 61.143 62.300 0.130 0.000 1.023 698 V CB 2.291 34.156 31.823 0.069 0.000 1.059 698 V HN 0.139 nan 8.190 nan 0.000 0.435 699 E N 2.035 122.402 120.200 0.279 0.000 2.167 699 E HA 0.442 4.792 4.350 -0.000 0.000 0.284 699 E C -1.798 175.164 176.600 0.604 0.000 1.016 699 E CA -0.367 56.274 56.400 0.400 0.000 0.817 699 E CB 1.664 31.550 29.700 0.310 0.000 1.080 699 E HN 0.684 nan 8.360 nan 0.000 0.397 700 Y N 3.437 123.978 120.300 0.402 0.000 2.429 700 Y HA 0.457 5.007 4.550 -0.000 0.000 0.342 700 Y C -1.375 174.579 175.900 0.091 0.000 1.004 700 Y CA -1.268 57.011 58.100 0.298 0.000 1.075 700 Y CB 1.029 39.690 38.460 0.336 0.000 1.214 700 Y HN 0.421 nan 8.280 nan 0.000 0.455 701 L N 8.131 129.055 121.223 -0.498 0.000 2.372 701 L HA 0.476 4.816 4.340 -0.000 0.000 0.273 701 L C -1.861 174.566 176.870 -0.738 0.000 0.989 701 L CA -0.722 53.696 54.840 -0.703 0.000 0.841 701 L CB 1.094 42.436 42.059 -1.196 0.000 1.225 701 L HN 0.686 nan 8.230 nan 0.000 0.414 702 L N 6.412 127.277 121.223 -0.597 0.000 2.265 702 L HA 0.570 4.910 4.340 -0.000 0.000 0.289 702 L C -0.825 175.941 176.870 -0.172 0.000 1.033 702 L CA -0.391 54.166 54.840 -0.473 0.000 0.814 702 L CB 1.310 43.130 42.059 -0.398 0.000 1.203 702 L HN 0.615 nan 8.230 nan 0.000 0.423 703 I N 3.611 124.096 120.570 -0.142 0.000 2.646 703 I HA 0.492 4.662 4.170 -0.000 0.000 0.299 703 I C -0.971 175.163 176.117 0.028 0.000 1.036 703 I CA -0.783 60.500 61.300 -0.029 0.000 1.074 703 I CB 2.219 40.166 38.000 -0.089 0.000 1.258 703 I HN 0.632 nan 8.210 nan 0.000 0.430 704 H N 1.673 120.807 119.070 0.107 0.000 3.114 704 H HA 0.405 4.961 4.556 -0.000 0.000 0.325 704 H C -0.664 174.894 175.328 0.382 0.000 1.206 704 H CA -0.653 55.492 56.048 0.162 0.000 1.316 704 H CB 1.655 31.469 29.762 0.086 0.000 1.981 704 H HN 0.758 nan 8.280 nan 0.000 0.527 705 G N 0.803 109.982 108.800 0.631 0.000 2.395 705 G HA2 0.277 4.237 3.960 -0.000 0.000 0.283 705 G HA3 0.277 4.237 3.960 -0.000 0.000 0.283 705 G C 1.129 176.301 174.900 0.453 0.000 1.178 705 G CA 0.134 45.531 45.100 0.496 0.000 0.837 705 G HN 0.721 nan 8.290 nan 0.000 0.518 706 T N -0.866 113.772 114.554 0.139 0.000 3.023 706 T HA 0.113 4.463 4.350 -0.000 0.000 0.266 706 T C 1.840 176.456 174.700 -0.141 0.000 1.093 706 T CA 1.300 63.276 62.100 -0.206 0.000 1.129 706 T CB 0.140 68.775 68.868 -0.390 0.000 0.899 706 T HN 0.636 nan 8.240 nan 0.000 0.491 707 A N 1.057 123.879 122.820 0.004 0.000 2.415 707 A HA 0.265 4.585 4.320 -0.000 0.000 0.248 707 A C 0.637 178.171 177.584 -0.084 0.000 1.299 707 A CA -0.405 51.620 52.037 -0.021 0.000 0.899 707 A CB -0.419 18.825 19.000 0.407 0.000 0.997 707 A HN 0.438 nan 8.150 nan 0.000 0.506 708 D N 1.646 122.041 120.400 -0.009 0.000 2.389 708 D HA -0.037 4.603 4.640 -0.000 0.000 0.263 708 D C 0.243 176.538 176.300 -0.009 0.000 1.255 708 D CA 0.276 54.369 54.000 0.156 0.000 0.914 708 D CB 0.607 41.645 40.800 0.396 0.000 1.116 708 D HN 0.558 nan 8.370 nan 0.000 0.502 709 D N 2.135 122.592 120.400 0.095 0.000 2.340 709 D HA -0.080 4.560 4.640 -0.000 0.000 0.220 709 D C 0.871 177.138 176.300 -0.056 0.000 1.039 709 D CA 0.016 54.020 54.000 0.007 0.000 0.866 709 D CB 0.244 40.979 40.800 -0.108 0.000 0.913 709 D HN 0.463 nan 8.370 nan 0.000 0.523 710 N N -0.017 118.725 118.700 0.068 0.000 2.530 710 N HA -0.012 4.728 4.740 -0.000 0.000 0.216 710 N C -0.225 175.158 175.510 -0.212 0.000 1.031 710 N CA -0.024 53.080 53.050 0.091 0.000 1.063 710 N CB 0.903 39.478 38.487 0.147 0.000 1.346 710 N HN -0.186 nan 8.380 nan 0.000 0.515 711 V N 3.660 123.469 119.914 -0.175 0.000 2.258 711 V HA 0.179 4.299 4.120 -0.000 0.000 0.258 711 V C -0.815 175.334 176.094 0.091 0.000 1.121 711 V CA -0.489 61.769 62.300 -0.071 0.000 0.942 711 V CB -0.377 31.413 31.823 -0.055 0.000 1.170 711 V HN 0.364 nan 8.190 nan 0.000 0.487 712 H N 3.012 122.056 119.070 -0.043 0.000 3.092 712 H HA -0.098 4.458 4.556 -0.000 0.000 0.332 712 H C 0.962 176.157 175.328 -0.222 0.000 1.029 712 H CA 0.252 56.201 56.048 -0.165 0.000 1.376 712 H CB 0.411 29.986 29.762 -0.312 0.000 1.329 712 H HN 0.568 nan 8.280 nan 0.000 0.598 713 F N 2.195 121.952 119.950 -0.322 0.000 2.147 713 F HA -0.305 4.222 4.527 -0.000 0.000 0.301 713 F C 2.605 178.136 175.800 -0.448 0.000 1.084 713 F CA 2.063 59.677 58.000 -0.644 0.000 1.268 713 F CB -0.143 38.628 39.000 -0.381 0.000 1.009 713 F HN 0.687 nan 8.300 nan 0.000 0.486 714 Q N 0.166 119.809 119.800 -0.262 0.000 2.156 714 Q HA -0.333 4.007 4.340 -0.000 0.000 0.211 714 Q C 2.068 177.818 176.000 -0.416 0.000 0.995 714 Q CA 2.448 58.049 55.803 -0.336 0.000 0.877 714 Q CB -0.426 28.086 28.738 -0.377 0.000 0.920 714 Q HN 0.605 nan 8.270 nan 0.000 0.416 715 Q N -0.355 119.244 119.800 -0.334 0.000 2.096 715 Q HA -0.120 4.220 4.340 -0.000 0.000 0.204 715 Q C 2.227 178.121 176.000 -0.177 0.000 0.982 715 Q CA 1.736 57.462 55.803 -0.129 0.000 0.850 715 Q CB -0.054 28.696 28.738 0.019 0.000 0.901 715 Q HN 0.348 nan 8.270 nan 0.000 0.422 716 S N 0.548 116.022 115.700 -0.376 0.000 2.436 716 S HA 0.031 4.501 4.470 -0.000 0.000 0.228 716 S C 2.004 176.335 174.600 -0.448 0.000 1.014 716 S CA 0.619 58.602 58.200 -0.362 0.000 0.950 716 S CB -0.005 62.955 63.200 -0.401 0.000 0.784 716 S HN 0.450 nan 8.310 nan 0.000 0.504 717 A N 1.482 123.938 122.820 -0.606 0.000 1.933 717 A HA -0.117 4.203 4.320 -0.000 0.000 0.218 717 A C 2.112 179.582 177.584 -0.190 0.000 1.175 717 A CA 1.086 52.898 52.037 -0.375 0.000 0.628 717 A CB -0.379 18.448 19.000 -0.289 0.000 0.814 717 A HN 0.352 nan 8.150 nan 0.000 0.444 718 Q N -0.543 119.159 119.800 -0.163 0.000 2.230 718 Q HA 0.035 4.375 4.340 -0.000 0.000 0.202 718 Q C 2.051 177.997 176.000 -0.090 0.000 0.963 718 Q CA 0.851 56.615 55.803 -0.065 0.000 0.866 718 Q CB -0.225 28.550 28.738 0.063 0.000 0.931 718 Q HN 0.778 nan 8.270 nan 0.000 0.452 719 I N 0.979 121.465 120.570 -0.140 0.000 2.286 719 I HA -0.233 3.937 4.170 -0.000 0.000 0.245 719 I C 2.472 178.417 176.117 -0.287 0.000 1.104 719 I CA 1.233 62.407 61.300 -0.210 0.000 1.397 719 I CB -0.284 37.595 38.000 -0.202 0.000 1.072 719 I HN 0.168 nan 8.210 nan 0.000 0.417 720 S N 1.017 116.586 115.700 -0.218 0.000 2.355 720 S HA -0.257 4.213 4.470 -0.000 0.000 0.222 720 S C 2.026 176.606 174.600 -0.033 0.000 1.031 720 S CA 1.233 59.354 58.200 -0.132 0.000 0.993 720 S CB -0.490 62.782 63.200 0.119 0.000 0.859 720 S HN 0.333 nan 8.310 nan 0.000 0.453 721 K N 1.849 122.229 120.400 -0.032 0.000 2.152 721 K HA -0.034 4.286 4.320 -0.000 0.000 0.206 721 K C 2.153 178.739 176.600 -0.024 0.000 1.048 721 K CA 1.243 57.525 56.287 -0.007 0.000 0.933 721 K CB -0.614 31.876 32.500 -0.016 0.000 0.721 721 K HN 0.474 nan 8.250 nan 0.000 0.447 722 A N 0.717 123.493 122.820 -0.073 0.000 1.930 722 A HA -0.019 4.301 4.320 -0.000 0.000 0.215 722 A C 2.035 179.568 177.584 -0.085 0.000 1.176 722 A CA 0.927 52.918 52.037 -0.076 0.000 0.632 722 A CB -0.427 18.513 19.000 -0.100 0.000 0.819 722 A HN 0.295 nan 8.150 nan 0.000 0.445 723 L N -0.506 120.620 121.223 -0.162 0.000 2.093 723 L HA -0.138 4.202 4.340 -0.000 0.000 0.208 723 L C 2.476 179.379 176.870 0.055 0.000 1.085 723 L CA 0.821 55.582 54.840 -0.131 0.000 0.755 723 L CB -0.530 41.298 42.059 -0.386 0.000 0.904 723 L HN 0.230 nan 8.230 nan 0.000 0.435 724 V N -0.156 119.820 119.914 0.102 0.000 2.295 724 V HA -0.284 3.836 4.120 -0.000 0.000 0.246 724 V C 2.107 178.241 176.094 0.068 0.000 1.049 724 V CA 1.886 64.262 62.300 0.127 0.000 1.024 724 V CB -0.510 31.385 31.823 0.120 0.000 0.648 724 V HN 0.446 nan 8.190 nan 0.000 0.447 725 D N 0.544 120.967 120.400 0.038 0.000 2.190 725 D HA -0.128 4.512 4.640 -0.000 0.000 0.200 725 D C 1.745 178.064 176.300 0.030 0.000 0.992 725 D CA 1.879 55.895 54.000 0.026 0.000 0.854 725 D CB -0.194 40.613 40.800 0.012 0.000 0.936 725 D HN 0.573 nan 8.370 nan 0.000 0.462 726 V N -3.158 116.776 119.914 0.033 0.000 3.342 726 V HA 0.499 4.619 4.120 -0.000 0.000 0.322 726 V C 1.164 177.293 176.094 0.058 0.000 1.370 726 V CA 0.184 62.508 62.300 0.040 0.000 1.170 726 V CB -0.188 31.658 31.823 0.037 0.000 1.101 726 V HN 0.147 nan 8.190 nan 0.000 0.442 727 G N 0.441 109.281 108.800 0.068 0.000 2.323 727 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.292 727 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.292 727 G C -0.055 174.909 174.900 0.106 0.000 1.040 727 G CA 0.611 45.760 45.100 0.080 0.000 0.942 727 G HN 1.580 nan 8.290 nan 0.000 0.506 728 V N -0.336 119.665 119.914 0.145 0.000 2.417 728 V HA 0.674 4.794 4.120 -0.000 0.000 0.291 728 V C 0.136 176.413 176.094 0.305 0.000 1.024 728 V CA -0.663 61.752 62.300 0.192 0.000 0.861 728 V CB 1.740 33.672 31.823 0.181 0.000 0.985 728 V HN 0.373 nan 8.190 nan 0.000 0.436 729 D N 5.549 126.100 120.400 0.252 0.000 2.339 729 D HA 0.597 5.237 4.640 -0.000 0.000 0.245 729 D C -0.615 175.914 176.300 0.382 0.000 1.115 729 D CA 0.386 54.514 54.000 0.214 0.000 0.917 729 D CB 0.903 41.767 40.800 0.106 0.000 1.192 729 D HN 0.632 nan 8.370 nan 0.000 0.428 730 F N -0.569 119.446 119.950 0.107 0.000 2.770 730 F HA 0.381 4.908 4.527 -0.000 0.000 0.313 730 F C -1.475 174.357 175.800 0.054 0.000 1.154 730 F CA -1.226 56.851 58.000 0.128 0.000 0.923 730 F CB 0.560 39.666 39.000 0.177 0.000 1.301 730 F HN 0.064 nan 8.300 nan 0.000 0.449 731 Q N 1.587 121.448 119.800 0.103 0.000 2.259 731 Q HA 0.803 5.143 4.340 -0.000 0.000 0.246 731 Q C -0.520 175.464 176.000 -0.026 0.000 0.920 731 Q CA -0.296 55.479 55.803 -0.046 0.000 0.895 731 Q CB 1.757 30.449 28.738 -0.076 0.000 1.220 731 Q HN 1.044 nan 8.270 nan 0.000 0.439 732 A N 1.733 124.514 122.820 -0.065 0.000 2.556 732 A HA 0.860 5.180 4.320 -0.000 0.000 0.294 732 A C -1.346 176.194 177.584 -0.073 0.000 1.091 732 A CA -0.571 51.465 52.037 -0.002 0.000 0.704 732 A CB 1.920 20.965 19.000 0.076 0.000 1.300 732 A HN 0.606 nan 8.150 nan 0.000 0.406 733 M N 1.174 120.737 119.600 -0.061 0.000 2.296 733 M HA 0.544 5.024 4.480 -0.000 0.000 0.268 733 M C -2.090 174.137 176.300 -0.122 0.000 1.048 733 M CA -0.383 54.754 55.300 -0.272 0.000 0.966 733 M CB 1.138 33.538 32.600 -0.333 0.000 1.912 733 M HN 1.021 nan 8.290 nan 0.000 0.484 734 W N 4.283 125.435 121.300 -0.246 0.000 2.578 734 W HA 0.807 5.467 4.660 0.000 0.000 0.353 734 W C -2.043 174.206 176.519 -0.450 0.000 1.088 734 W CA -0.940 56.330 57.345 -0.125 0.000 1.235 734 W CB 0.492 29.897 29.460 -0.091 0.000 1.362 734 W HN 0.615 nan 8.180 nan 0.000 0.592 735 Y N 2.133 122.573 120.300 0.232 0.000 2.447 735 Y HA 0.297 4.847 4.550 -0.000 0.000 0.325 735 Y C 0.411 176.411 175.900 0.168 0.000 0.976 735 Y CA -1.038 57.111 58.100 0.083 0.000 1.280 735 Y CB 1.538 40.013 38.460 0.026 0.000 1.104 735 Y HN 0.417 nan 8.280 nan 0.000 0.486 736 T N 4.519 119.222 114.554 0.248 0.000 2.831 736 T HA -0.034 4.316 4.350 -0.000 0.000 0.291 736 T C 0.174 174.929 174.700 0.092 0.000 0.981 736 T CA 0.650 62.847 62.100 0.162 0.000 1.174 736 T CB -0.133 68.785 68.868 0.084 0.000 0.929 736 T HN 0.707 nan 8.240 nan 0.000 0.532 737 D N 0.880 121.294 120.400 0.022 0.000 3.077 737 D HA -0.126 4.514 4.640 -0.000 0.000 0.217 737 D C 0.223 176.620 176.300 0.161 0.000 1.162 737 D CA 1.124 55.067 54.000 -0.095 0.000 0.943 737 D CB -0.408 40.149 40.800 -0.405 0.000 1.122 737 D HN 0.582 nan 8.370 nan 0.000 0.413 738 E N 0.911 121.235 120.200 0.208 0.000 2.266 738 E HA 0.337 4.687 4.350 -0.000 0.000 0.277 738 E C 0.668 177.439 176.600 0.285 0.000 1.018 738 E CA -0.346 56.205 56.400 0.252 0.000 0.840 738 E CB 1.310 31.157 29.700 0.245 0.000 1.082 738 E HN 0.345 nan 8.360 nan 0.000 0.395 739 D N -0.271 120.316 120.400 0.312 0.000 2.496 739 D HA -0.018 4.622 4.640 -0.000 0.000 0.283 739 D C 1.103 177.633 176.300 0.383 0.000 1.214 739 D CA -0.188 54.020 54.000 0.347 0.000 1.089 739 D CB -0.018 41.016 40.800 0.390 0.000 1.141 739 D HN 0.399 nan 8.370 nan 0.000 0.580 740 H N -1.548 117.703 119.070 0.301 0.000 2.460 740 H HA 0.019 4.575 4.556 -0.000 0.000 0.297 740 H C 1.928 177.527 175.328 0.452 0.000 1.103 740 H CA 2.184 58.429 56.048 0.328 0.000 1.292 740 H CB -0.436 29.508 29.762 0.303 0.000 1.376 740 H HN 0.499 nan 8.280 nan 0.000 0.531 741 G N -0.351 108.652 108.800 0.337 0.000 2.494 741 G HA2 -0.009 3.951 3.960 -0.000 0.000 0.216 741 G HA3 -0.009 3.951 3.960 -0.000 0.000 0.216 741 G C 0.741 175.878 174.900 0.396 0.000 1.140 741 G CA 0.356 45.599 45.100 0.240 0.000 0.801 741 G HN 0.521 nan 8.290 nan 0.000 0.536 742 I N 0.025 120.802 120.570 0.346 0.000 6.572 742 I HA -0.302 3.868 4.170 -0.000 0.000 0.126 742 I C 1.476 177.739 176.117 0.243 0.000 1.771 742 I CA 0.127 61.579 61.300 0.253 0.000 2.241 742 I CB -1.262 36.856 38.000 0.196 0.000 3.401 742 I HN 0.269 nan 8.210 nan 0.000 0.227 743 A N 0.571 123.505 122.820 0.190 0.000 2.379 743 A HA 0.264 4.584 4.320 -0.000 0.000 0.236 743 A C 1.065 178.713 177.584 0.107 0.000 1.272 743 A CA 0.575 52.684 52.037 0.121 0.000 0.886 743 A CB 0.168 19.202 19.000 0.057 0.000 0.962 743 A HN 0.488 nan 8.150 nan 0.000 0.504 744 S N -0.269 115.510 115.700 0.133 0.000 2.552 744 S HA 0.120 4.590 4.470 -0.000 0.000 0.289 744 S C 1.598 176.272 174.600 0.124 0.000 1.304 744 S CA 0.498 58.770 58.200 0.121 0.000 1.063 744 S CB 0.598 63.873 63.200 0.124 0.000 0.848 744 S HN 0.545 nan 8.310 nan 0.000 0.499 745 S N 3.117 118.875 115.700 0.095 0.000 2.369 745 S HA -0.190 4.280 4.470 -0.000 0.000 0.225 745 S C 2.181 176.855 174.600 0.124 0.000 1.043 745 S CA 2.630 60.886 58.200 0.094 0.000 1.074 745 S CB -1.107 62.129 63.200 0.060 0.000 0.962 745 S HN 1.026 nan 8.310 nan 0.000 0.433 746 T N -0.132 114.484 114.554 0.103 0.000 2.777 746 T HA 0.143 4.493 4.350 -0.000 0.000 0.266 746 T C 1.938 176.716 174.700 0.131 0.000 1.040 746 T CA 1.398 63.561 62.100 0.105 0.000 1.141 746 T CB -0.890 68.031 68.868 0.087 0.000 0.868 746 T HN 0.449 nan 8.240 nan 0.000 0.444 747 A N 1.675 124.566 122.820 0.118 0.000 1.902 747 A HA -0.149 4.171 4.320 -0.000 0.000 0.217 747 A C 2.219 179.806 177.584 0.005 0.000 1.181 747 A CA 2.183 54.260 52.037 0.065 0.000 0.623 747 A CB -1.363 17.652 19.000 0.025 0.000 0.818 747 A HN 0.772 nan 8.150 nan 0.000 0.443 748 H N -0.153 118.922 119.070 0.009 0.000 2.352 748 H HA -0.161 4.395 4.556 -0.000 0.000 0.299 748 H C 2.088 177.486 175.328 0.117 0.000 1.097 748 H CA 2.395 58.484 56.048 0.069 0.000 1.311 748 H CB -0.206 29.613 29.762 0.096 0.000 1.377 748 H HN 0.612 nan 8.280 nan 0.000 0.504 749 Q N -1.092 118.685 119.800 -0.038 0.000 2.079 749 Q HA -0.165 4.175 4.340 -0.000 0.000 0.200 749 Q C 2.227 178.199 176.000 -0.047 0.000 0.974 749 Q CA 1.168 56.917 55.803 -0.090 0.000 0.840 749 Q CB -0.206 28.526 28.738 -0.010 0.000 0.898 749 Q HN 0.622 nan 8.270 nan 0.000 0.430 750 H N 1.027 120.074 119.070 -0.037 0.000 2.290 750 H HA -0.129 4.427 4.556 -0.000 0.000 0.298 750 H C 2.079 177.405 175.328 -0.004 0.000 1.087 750 H CA 1.612 57.675 56.048 0.025 0.000 1.291 750 H CB -0.168 29.669 29.762 0.125 0.000 1.369 750 H HN 0.276 nan 8.280 nan 0.000 0.492 751 I N 0.161 120.710 120.570 -0.034 0.000 2.208 751 I HA -0.343 3.827 4.170 -0.000 0.000 0.245 751 I C 1.845 177.722 176.117 -0.400 0.000 1.097 751 I CA 1.407 62.568 61.300 -0.233 0.000 1.363 751 I CB -0.276 37.355 38.000 -0.615 0.000 1.051 751 I HN 0.146 nan 8.210 nan 0.000 0.413 752 Y N 0.779 120.881 120.300 -0.330 0.000 2.373 752 Y HA -0.165 4.385 4.550 -0.000 0.000 0.293 752 Y C 2.680 178.386 175.900 -0.323 0.000 1.129 752 Y CA 1.625 59.419 58.100 -0.509 0.000 1.226 752 Y CB -0.864 37.301 38.460 -0.491 0.000 1.000 752 Y HN 0.170 nan 8.280 nan 0.000 0.549 753 T N -1.793 112.699 114.554 -0.103 0.000 2.770 753 T HA -0.194 4.156 4.350 -0.000 0.000 0.263 753 T C 1.577 176.219 174.700 -0.097 0.000 1.039 753 T CA 1.735 63.757 62.100 -0.130 0.000 1.142 753 T CB -0.422 68.365 68.868 -0.136 0.000 0.868 753 T HN 0.374 nan 8.240 nan 0.000 0.435 754 H N 0.827 119.823 119.070 -0.124 0.000 2.387 754 H HA 0.127 4.683 4.556 -0.000 0.000 0.299 754 H C 2.092 177.441 175.328 0.036 0.000 1.090 754 H CA 1.486 57.538 56.048 0.007 0.000 1.332 754 H CB -0.249 29.509 29.762 -0.006 0.000 1.386 754 H HN 0.258 nan 8.280 nan 0.000 0.516 755 M N -0.969 118.566 119.600 -0.108 0.000 2.254 755 M HA -0.119 4.361 4.480 -0.000 0.000 0.265 755 M C 2.341 178.757 176.300 0.194 0.000 1.066 755 M CA 1.272 56.515 55.300 -0.095 0.000 1.123 755 M CB 0.210 32.523 32.600 -0.478 0.000 1.388 755 M HN 0.185 nan 8.290 nan 0.000 0.425 756 S N -0.548 115.283 115.700 0.219 0.000 2.356 756 S HA -0.154 4.316 4.470 -0.000 0.000 0.223 756 S C 1.704 176.392 174.600 0.146 0.000 1.032 756 S CA 1.014 59.437 58.200 0.372 0.000 1.005 756 S CB -0.645 62.737 63.200 0.305 0.000 0.867 756 S HN 0.482 nan 8.310 nan 0.000 0.449 757 H N -0.036 119.105 119.070 0.118 0.000 2.321 757 H HA -0.046 4.510 4.556 -0.000 0.000 0.300 757 H C 2.020 177.368 175.328 0.033 0.000 1.087 757 H CA 1.398 57.474 56.048 0.047 0.000 1.319 757 H CB -0.734 29.012 29.762 -0.026 0.000 1.379 757 H HN 0.438 nan 8.280 nan 0.000 0.501 758 F N 1.255 121.205 119.950 -0.001 0.000 2.134 758 F HA -0.179 4.348 4.527 -0.000 0.000 0.299 758 F C 2.300 178.070 175.800 -0.049 0.000 1.097 758 F CA 0.798 58.767 58.000 -0.052 0.000 1.264 758 F CB -0.242 38.698 39.000 -0.101 0.000 1.001 758 F HN -0.024 nan 8.300 nan 0.000 0.479 759 I N 1.231 121.811 120.570 0.016 0.000 2.233 759 I HA -0.241 3.929 4.170 -0.000 0.000 0.243 759 I C 2.242 178.214 176.117 -0.242 0.000 1.093 759 I CA 1.466 62.654 61.300 -0.187 0.000 1.380 759 I CB -1.209 36.807 38.000 0.028 0.000 1.067 759 I HN 0.256 nan 8.210 nan 0.000 0.413 760 K N 0.500 120.889 120.400 -0.018 0.000 2.217 760 K HA -0.181 4.139 4.320 -0.000 0.000 0.202 760 K C 1.898 178.502 176.600 0.007 0.000 1.051 760 K CA 0.740 57.061 56.287 0.057 0.000 0.952 760 K CB -0.367 32.197 32.500 0.108 0.000 0.736 760 K HN 0.336 nan 8.250 nan 0.000 0.453 761 Q N 1.965 121.726 119.800 -0.066 0.000 2.079 761 Q HA -0.174 4.166 4.340 -0.000 0.000 0.200 761 Q C 2.162 178.066 176.000 -0.160 0.000 0.974 761 Q CA 1.781 57.533 55.803 -0.084 0.000 0.840 761 Q CB -0.525 28.156 28.738 -0.094 0.000 0.898 761 Q HN 0.429 nan 8.270 nan 0.000 0.430 762 c N 0.225 118.609 118.600 -0.360 0.000 2.422 762 c HA -0.061 4.509 4.570 -0.000 0.000 0.279 762 c C 2.119 176.095 174.090 -0.189 0.000 1.305 762 c CA 0.405 56.487 56.329 -0.412 0.000 1.757 762 c CB -1.329 40.735 42.510 -0.743 0.000 1.962 762 c HN 0.533 nan 8.230 nan 0.000 0.499 763 F N 1.358 121.265 119.950 -0.071 0.000 2.727 763 F HA 0.263 4.790 4.527 -0.000 0.000 0.302 763 F C 1.621 177.407 175.800 -0.025 0.000 1.097 763 F CA 0.478 58.458 58.000 -0.034 0.000 1.330 763 F CB -0.875 38.110 39.000 -0.025 0.000 1.084 763 F HN 0.137 nan 8.300 nan 0.000 0.578 764 S N 0.600 116.378 115.700 0.131 0.000 3.706 764 S HA -0.185 4.285 4.470 -0.000 0.000 0.363 764 S C 0.879 175.526 174.600 0.079 0.000 0.999 764 S CA 0.090 58.336 58.200 0.078 0.000 1.143 764 S CB -1.918 61.319 63.200 0.062 0.000 0.902 764 S HN 0.190 nan 8.310 nan 0.000 0.476 765 L N 1.503 122.782 121.223 0.093 0.000 2.226 765 L HA 0.361 4.701 4.340 -0.000 0.000 0.218 765 L C -0.196 176.709 176.870 0.059 0.000 1.162 765 L CA 0.600 55.485 54.840 0.075 0.000 2.417 765 L CB -1.053 41.058 42.059 0.088 0.000 2.139 765 L HN 0.377 nan 8.230 nan 0.000 1.037 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.150 63.100 0.083 0.000 0.800 766 P CB 0.000 31.755 31.700 0.091 0.000 0.726