REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2qky_1_B DATA FIRST_RESID 39 DATA SEQUENCE TRKTYTLTDY LKNTYRLKLY SLRWISDHEY LYKQENNILV FNAEYGNSSV DATA SEQUENCE FLENSTFDEF GHSINDYSIS PDGQFILLEY NYVKQWRHSY TASYDIYDLN DATA SEQUENCE KRQLITEERI PNNTQWVTWS PVGHKLAYVW NNDIYVKIEP NLPSYRITWT DATA SEQUENCE GKEDIIYNGI TDWVYEEEVF SAYSALWWSP NGTFLAYAQF NDTEVPLIEY DATA SEQUENCE SFYSDESLQY PKTVRVPYPK AGAVNPTVKF FVVNTDSLSS VTNATSIQIT DATA SEQUENCE APASMLIGDH YLCDVTWATQ ERISLQWLRR IQNYSVMDIc DYDESSGRWN DATA SEQUENCE cLVARQHIEM STTGWVGRFR PSEPHFTLDG NSFYKIISNE EGYRHIcYFQ DATA SEQUENCE IDKKDcTFIT KGTWEVIGIE ALTSDYLYYI SNEYKGMPGG RNLYKIQLSD DATA SEQUENCE YTKVTCLSCE LNPERcQYYS VSFSKEAKYY QLRcSGPGLP LYTLHSSVND DATA SEQUENCE KGLRVLEDNS ALDKMLQNVQ MPSKKLDFII LNETKFWYQM ILPPHFDKSK DATA SEQUENCE KYPLLLDVYA GPCSQKADTV FRLNWATYLA STENIIVASF DGRGSGYQGD DATA SEQUENCE KIMHAINRRL GTFEVEDQIE AARQFSKMGF VDNKRIAIWG WSYGGYVTSM DATA SEQUENCE VLGSGSGVFK cGIAVAPVSR WEYYDSVYTE RYMGLPTPED NLDHYRNSTV DATA SEQUENCE MSRAENFKQV EYLLIHGTAD DNVHFQQSAQ ISKALVDVGV DFQAMWYTDE DATA SEQUENCE DHGIASSTAH QHIYTHMSHF IKQcFSLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 39 T HA 0.000 nan 4.350 nan 0.000 0.228 39 T C 0.000 174.734 174.700 0.057 0.000 1.109 39 T CA 0.000 62.134 62.100 0.057 0.000 1.349 39 T CB 0.000 68.894 68.868 0.044 0.000 0.612 40 R N 3.074 123.612 120.500 0.063 0.000 2.490 40 R HA 0.466 4.370 4.340 -0.727 0.000 0.280 40 R C 0.438 176.777 176.300 0.066 0.000 1.077 40 R CA -0.396 55.740 56.100 0.060 0.000 1.065 40 R CB 0.770 31.102 30.300 0.053 0.000 1.003 40 R HN 0.376 nan 8.270 nan 0.000 0.470 41 K N 0.503 120.947 120.400 0.074 0.000 2.187 41 K HA 0.083 3.967 4.320 -0.727 0.000 0.247 41 K C 0.291 176.950 176.600 0.097 0.000 1.019 41 K CA -0.445 55.892 56.287 0.084 0.000 0.893 41 K CB 0.259 32.814 32.500 0.093 0.000 1.025 41 K HN 0.644 nan 8.250 nan 0.000 0.500 42 T N -2.252 112.367 114.554 0.108 0.000 2.897 42 T HA 0.139 4.053 4.350 -0.727 0.000 0.278 42 T C -0.691 174.132 174.700 0.205 0.000 0.981 42 T CA -0.798 61.382 62.100 0.133 0.000 0.973 42 T CB 0.490 69.429 68.868 0.118 0.000 1.092 42 T HN 0.535 nan 8.240 nan 0.000 0.543 43 Y N 2.377 122.751 120.300 0.123 0.000 2.504 43 Y HA 0.396 4.509 4.550 -0.727 0.000 0.351 43 Y C 0.758 176.799 175.900 0.234 0.000 0.988 43 Y CA -0.505 57.714 58.100 0.198 0.000 1.239 43 Y CB -0.143 38.405 38.460 0.146 0.000 1.128 43 Y HN 0.999 nan 8.280 nan 0.000 0.525 44 T N 2.920 117.410 114.554 -0.107 0.000 2.902 44 T HA 0.145 4.059 4.350 -0.727 0.000 0.280 44 T C 1.003 175.544 174.700 -0.264 0.000 0.992 44 T CA -0.734 61.339 62.100 -0.044 0.000 1.015 44 T CB 1.342 70.169 68.868 -0.069 0.000 1.044 44 T HN 0.714 nan 8.240 nan 0.000 0.520 45 L N 1.399 122.309 121.223 -0.521 0.000 2.012 45 L HA -0.031 3.873 4.340 -0.727 0.000 0.210 45 L C 2.573 179.279 176.870 -0.273 0.000 1.073 45 L CA 2.249 56.642 54.840 -0.745 0.000 0.748 45 L CB -1.690 39.701 42.059 -1.112 0.000 0.891 45 L HN 0.953 nan 8.230 nan 0.000 0.431 46 T N -0.316 114.096 114.554 -0.237 0.000 2.720 46 T HA -0.195 3.719 4.350 -0.727 0.000 0.268 46 T C 1.513 176.108 174.700 -0.176 0.000 1.037 46 T CA 1.585 63.590 62.100 -0.159 0.000 1.144 46 T CB -0.450 68.339 68.868 -0.133 0.000 0.864 46 T HN 0.417 nan 8.240 nan 0.000 0.444 47 D N -0.168 120.071 120.400 -0.269 0.000 2.182 47 D HA -0.092 4.112 4.640 -0.727 0.000 0.201 47 D C 1.618 177.788 176.300 -0.216 0.000 0.986 47 D CA 0.924 54.712 54.000 -0.354 0.000 0.847 47 D CB -0.267 40.171 40.800 -0.603 0.000 0.942 47 D HN 0.497 nan 8.370 nan 0.000 0.467 48 Y N 0.998 121.146 120.300 -0.254 0.000 2.206 48 Y HA -0.021 4.092 4.550 -0.728 0.000 0.292 48 Y C 2.093 178.032 175.900 0.064 0.000 1.123 48 Y CA 1.111 59.239 58.100 0.047 0.000 1.142 48 Y CB -0.392 38.155 38.460 0.145 0.000 1.006 48 Y HN -0.113 nan 8.280 nan 0.000 0.518 49 L N -0.022 121.096 121.223 -0.175 0.000 2.109 49 L HA -0.130 3.774 4.340 -0.727 0.000 0.207 49 L C 1.913 178.707 176.870 -0.127 0.000 1.086 49 L CA 1.148 55.880 54.840 -0.181 0.000 0.760 49 L CB -0.475 41.556 42.059 -0.046 0.000 0.910 49 L HN -0.010 nan 8.230 nan 0.000 0.437 50 K N 0.219 120.551 120.400 -0.114 0.000 2.444 50 K HA 0.019 3.903 4.320 -0.727 0.000 0.193 50 K C 0.202 176.741 176.600 -0.101 0.000 1.024 50 K CA 0.001 56.230 56.287 -0.097 0.000 1.077 50 K CB -0.657 31.784 32.500 -0.099 0.000 0.833 50 K HN 0.326 nan 8.250 nan 0.000 0.517 51 N N 1.662 120.299 118.700 -0.105 0.000 2.725 51 N HA -0.229 4.075 4.740 -0.727 0.000 0.251 51 N C 0.557 176.024 175.510 -0.072 0.000 1.031 51 N CA 0.454 53.472 53.050 -0.055 0.000 0.720 51 N CB -0.403 38.053 38.487 -0.052 0.000 0.930 51 N HN 0.381 nan 8.380 nan 0.000 0.543 52 T N -2.639 111.814 114.554 -0.168 0.000 2.746 52 T HA -0.174 3.740 4.350 -0.727 0.000 0.267 52 T C 0.742 175.239 174.700 -0.337 0.000 1.039 52 T CA 1.173 63.078 62.100 -0.326 0.000 1.142 52 T CB -0.246 68.293 68.868 -0.548 0.000 0.866 52 T HN 0.339 nan 8.240 nan 0.000 0.444 53 Y N 4.412 124.786 120.300 0.124 0.000 2.751 53 Y HA 0.419 4.533 4.550 -0.727 0.000 0.333 53 Y C 0.525 176.510 175.900 0.141 0.000 1.122 53 Y CA -1.992 56.201 58.100 0.155 0.000 1.367 53 Y CB 0.054 38.658 38.460 0.241 0.000 1.242 53 Y HN 0.182 nan 8.280 nan 0.000 0.505 54 R N 1.909 122.526 120.500 0.195 0.000 2.449 54 R HA 0.176 4.080 4.340 -0.727 0.000 0.296 54 R C -0.821 175.577 176.300 0.165 0.000 1.047 54 R CA -0.591 55.593 56.100 0.140 0.000 1.018 54 R CB 0.370 30.719 30.300 0.082 0.000 0.962 54 R HN 0.525 nan 8.270 nan 0.000 0.428 55 L N 2.679 123.995 121.223 0.154 0.000 2.265 55 L HA 0.352 4.256 4.340 -0.727 0.000 0.288 55 L C -0.109 176.846 176.870 0.141 0.000 1.058 55 L CA -0.080 54.863 54.840 0.170 0.000 0.809 55 L CB 0.816 42.978 42.059 0.172 0.000 1.179 55 L HN 0.620 nan 8.230 nan 0.000 0.429 56 K N 4.187 124.674 120.400 0.145 0.000 2.127 56 K HA 0.765 4.649 4.320 -0.727 0.000 0.240 56 K C -0.894 175.780 176.600 0.122 0.000 1.024 56 K CA -0.536 55.812 56.287 0.103 0.000 0.918 56 K CB 1.050 33.596 32.500 0.078 0.000 1.108 56 K HN 0.557 nan 8.250 nan 0.000 0.485 57 L N -2.380 118.813 121.223 -0.049 0.000 2.816 57 L HA 0.516 4.420 4.340 -0.727 0.000 0.262 57 L C -1.548 174.966 176.870 -0.594 0.000 1.106 57 L CA -0.936 53.676 54.840 -0.381 0.000 0.973 57 L CB 0.468 42.517 42.059 -0.017 0.000 1.570 57 L HN 0.552 nan 8.230 nan 0.000 0.379 58 Y N 0.134 119.825 120.300 -1.014 0.000 2.441 58 Y HA 0.675 4.789 4.550 -0.727 0.000 0.345 58 Y C -1.103 174.454 175.900 -0.572 0.000 1.129 58 Y CA -0.665 56.977 58.100 -0.764 0.000 1.333 58 Y CB 1.255 39.157 38.460 -0.930 0.000 1.104 58 Y HN 0.627 nan 8.280 nan 0.000 0.551 59 S N 5.905 121.516 115.700 -0.150 0.000 2.465 59 S HA 0.656 4.690 4.470 -0.727 0.000 0.279 59 S C -0.666 173.881 174.600 -0.089 0.000 1.201 59 S CA -0.476 57.694 58.200 -0.051 0.000 1.053 59 S CB 0.103 63.322 63.200 0.032 0.000 0.953 59 S HN 0.542 nan 8.310 nan 0.000 0.488 60 L N 1.647 122.768 121.223 -0.170 0.000 2.323 60 L HA 0.802 4.706 4.340 -0.727 0.000 0.265 60 L C -0.498 176.258 176.870 -0.190 0.000 1.012 60 L CA -0.994 53.710 54.840 -0.227 0.000 0.820 60 L CB 1.151 42.803 42.059 -0.678 0.000 1.334 60 L HN 0.368 nan 8.230 nan 0.000 0.427 61 R N 0.886 121.333 120.500 -0.088 0.000 2.435 61 R HA 0.379 4.283 4.340 -0.727 0.000 0.308 61 R C -1.695 174.634 176.300 0.049 0.000 0.975 61 R CA -0.300 55.797 56.100 -0.006 0.000 0.867 61 R CB 1.093 31.445 30.300 0.085 0.000 1.171 61 R HN 0.673 nan 8.270 nan 0.000 0.470 62 W N 4.517 125.910 121.300 0.156 0.000 2.264 62 W HA 0.058 4.282 4.660 -0.727 0.000 0.331 62 W C 1.487 178.084 176.519 0.131 0.000 1.364 62 W CA -0.305 57.142 57.345 0.171 0.000 1.253 62 W CB 0.434 29.983 29.460 0.149 0.000 1.215 62 W HN 0.654 nan 8.180 nan 0.000 0.561 63 I N 0.509 121.299 120.570 0.367 0.000 4.147 63 I HA 0.370 4.104 4.170 -0.727 0.000 0.329 63 I C 0.298 176.510 176.117 0.159 0.000 1.424 63 I CA -0.179 61.248 61.300 0.210 0.000 1.127 63 I CB -0.258 37.824 38.000 0.137 0.000 1.128 63 I HN 0.290 nan 8.210 nan 0.000 0.417 64 S N -0.671 115.143 115.700 0.190 0.000 2.806 64 S HA 0.228 4.262 4.470 -0.727 0.000 0.294 64 S C -0.209 174.409 174.600 0.029 0.000 1.239 64 S CA -0.171 58.052 58.200 0.039 0.000 1.052 64 S CB 1.091 64.190 63.200 -0.168 0.000 1.332 64 S HN 0.080 nan 8.310 nan 0.000 0.516 65 D N 0.063 120.424 120.400 -0.064 0.000 2.360 65 D HA 0.196 4.400 4.640 -0.727 0.000 0.210 65 D C 1.023 177.416 176.300 0.155 0.000 1.047 65 D CA 0.884 54.879 54.000 -0.009 0.000 0.854 65 D CB 0.066 40.894 40.800 0.048 0.000 0.936 65 D HN 0.692 nan 8.370 nan 0.000 0.514 66 H N -2.456 116.806 119.070 0.318 0.000 3.650 66 H HA 0.381 4.501 4.556 -0.726 0.000 0.260 66 H C -0.415 175.145 175.328 0.386 0.000 1.194 66 H CA -0.281 56.047 56.048 0.467 0.000 1.135 66 H CB 0.522 30.492 29.762 0.347 0.000 1.612 66 H HN -0.011 nan 8.280 nan 0.000 0.703 67 E N 1.422 121.717 120.200 0.158 0.000 2.234 67 E HA 0.331 4.245 4.350 -0.727 0.000 0.266 67 E C -1.521 175.267 176.600 0.313 0.000 0.877 67 E CA -1.065 55.440 56.400 0.175 0.000 0.758 67 E CB 2.869 32.608 29.700 0.064 0.000 1.170 67 E HN 0.298 nan 8.360 nan 0.000 0.415 68 Y N 0.296 120.683 120.300 0.144 0.000 2.570 68 Y HA 0.662 4.776 4.550 -0.726 0.000 0.345 68 Y C -1.294 174.636 175.900 0.051 0.000 1.014 68 Y CA -1.373 56.700 58.100 -0.046 0.000 1.063 68 Y CB 0.942 39.001 38.460 -0.667 0.000 1.272 68 Y HN 0.305 nan 8.280 nan 0.000 0.477 69 L N 3.499 124.877 121.223 0.258 0.000 2.317 69 L HA 0.455 4.359 4.340 -0.727 0.000 0.281 69 L C -1.307 175.793 176.870 0.384 0.000 1.024 69 L CA -0.917 54.044 54.840 0.200 0.000 0.810 69 L CB 1.480 43.540 42.059 0.003 0.000 1.240 69 L HN 0.728 nan 8.230 nan 0.000 0.427 70 Y N 2.983 123.419 120.300 0.227 0.000 2.492 70 Y HA 0.396 4.510 4.550 -0.727 0.000 0.346 70 Y C -0.692 175.253 175.900 0.075 0.000 0.997 70 Y CA -1.535 56.670 58.100 0.175 0.000 1.025 70 Y CB 1.806 40.435 38.460 0.281 0.000 1.263 70 Y HN 0.434 nan 8.280 nan 0.000 0.454 71 K N 3.109 123.340 120.400 -0.281 0.000 2.144 71 K HA 0.352 4.237 4.320 -0.727 0.000 0.270 71 K C -0.733 175.384 176.600 -0.805 0.000 1.005 71 K CA -0.641 55.414 56.287 -0.386 0.000 0.932 71 K CB 0.847 33.200 32.500 -0.245 0.000 1.021 71 K HN 0.567 nan 8.250 nan 0.000 0.462 72 Q N 3.040 122.562 119.800 -0.462 0.000 3.891 72 Q HA 0.028 3.932 4.340 -0.727 0.000 0.190 72 Q C -1.491 174.377 176.000 -0.220 0.000 0.886 72 Q CA 0.016 55.574 55.803 -0.409 0.000 0.747 72 Q CB 0.717 29.318 28.738 -0.230 0.000 1.476 72 Q HN 0.651 nan 8.270 nan 0.000 0.452 73 E N 0.972 121.049 120.200 -0.204 0.000 2.265 73 E HA -0.189 3.725 4.350 -0.727 0.000 0.245 73 E C -0.080 176.448 176.600 -0.119 0.000 1.150 73 E CA 0.906 57.227 56.400 -0.131 0.000 0.720 73 E CB -2.211 27.432 29.700 -0.095 0.000 1.245 73 E HN 1.026 nan 8.360 nan 0.000 0.403 74 N N -0.806 117.817 118.700 -0.129 0.000 2.936 74 N HA -0.268 4.036 4.740 -0.727 0.000 0.236 74 N C -0.856 174.579 175.510 -0.125 0.000 0.930 74 N CA 1.204 54.191 53.050 -0.106 0.000 0.966 74 N CB -0.681 37.761 38.487 -0.076 0.000 1.090 74 N HN 0.538 nan 8.380 nan 0.000 0.592 75 N N 0.770 119.380 118.700 -0.150 0.000 2.540 75 N HA 0.409 4.714 4.740 -0.727 0.000 0.275 75 N C -0.496 174.912 175.510 -0.170 0.000 1.053 75 N CA -0.555 52.404 53.050 -0.152 0.000 0.876 75 N CB 0.724 39.138 38.487 -0.123 0.000 1.284 75 N HN 0.112 nan 8.380 nan 0.000 0.518 76 I N 1.433 121.870 120.570 -0.222 0.000 2.919 76 I HA -0.131 3.603 4.170 -0.727 0.000 0.299 76 I C -0.163 175.882 176.117 -0.120 0.000 1.221 76 I CA 0.224 61.382 61.300 -0.238 0.000 1.424 76 I CB -0.078 37.647 38.000 -0.458 0.000 1.358 76 I HN 0.365 nan 8.210 nan 0.000 0.551 77 L N 7.425 128.592 121.223 -0.093 0.000 2.331 77 L HA 0.571 4.475 4.340 -0.727 0.000 0.268 77 L C -0.177 176.624 176.870 -0.114 0.000 1.015 77 L CA -0.614 54.148 54.840 -0.130 0.000 0.807 77 L CB 1.769 43.660 42.059 -0.279 0.000 1.293 77 L HN 0.368 nan 8.230 nan 0.000 0.451 78 V N 1.797 121.595 119.914 -0.193 0.000 2.325 78 V HA 0.488 4.172 4.120 -0.727 0.000 0.280 78 V C -0.836 175.077 176.094 -0.303 0.000 1.016 78 V CA -0.321 61.906 62.300 -0.121 0.000 0.818 78 V CB 0.497 32.357 31.823 0.063 0.000 1.019 78 V HN 0.456 nan 8.190 nan 0.000 0.434 79 F N 5.184 124.903 119.950 -0.385 0.000 2.371 79 F HA 0.490 4.581 4.527 -0.727 0.000 0.329 79 F C 0.782 176.310 175.800 -0.454 0.000 1.107 79 F CA -0.071 57.590 58.000 -0.565 0.000 1.137 79 F CB 1.142 39.359 39.000 -1.305 0.000 1.214 79 F HN 0.542 nan 8.300 nan 0.000 0.536 80 N N 1.604 120.275 118.700 -0.049 0.000 2.443 80 N HA 0.308 4.612 4.740 -0.727 0.000 0.269 80 N C 0.316 175.795 175.510 -0.051 0.000 0.985 80 N CA -0.060 53.005 53.050 0.024 0.000 0.921 80 N CB 1.791 40.344 38.487 0.111 0.000 1.195 80 N HN 0.718 nan 8.380 nan 0.000 0.492 81 A N 3.587 126.362 122.820 -0.074 0.000 1.892 81 A HA -0.218 3.666 4.320 -0.727 0.000 0.218 81 A C 1.819 179.099 177.584 -0.507 0.000 1.188 81 A CA 1.881 53.721 52.037 -0.328 0.000 0.631 81 A CB -0.566 17.939 19.000 -0.825 0.000 0.822 81 A HN 0.797 nan 8.150 nan 0.000 0.447 82 E N -1.213 118.667 120.200 -0.534 0.000 2.118 82 E HA -0.196 3.718 4.350 -0.727 0.000 0.195 82 E C 1.295 177.618 176.600 -0.461 0.000 0.992 82 E CA 2.024 58.109 56.400 -0.526 0.000 0.804 82 E CB -0.272 28.984 29.700 -0.740 0.000 0.741 82 E HN 0.789 nan 8.360 nan 0.000 0.458 83 Y N -3.082 117.222 120.300 0.006 0.000 2.526 83 Y HA 0.425 4.539 4.550 -0.726 0.000 0.265 83 Y C 1.775 177.690 175.900 0.025 0.000 1.092 83 Y CA 0.084 58.193 58.100 0.014 0.000 1.277 83 Y CB 0.364 38.835 38.460 0.019 0.000 1.228 83 Y HN 0.098 nan 8.280 nan 0.000 0.507 84 G N 0.909 109.804 108.800 0.158 0.000 2.225 84 G HA2 -0.355 3.169 3.960 -0.727 0.000 0.254 84 G HA3 -0.355 3.169 3.960 -0.727 0.000 0.254 84 G C 0.330 175.361 174.900 0.219 0.000 0.988 84 G CA 0.244 45.461 45.100 0.195 0.000 0.625 84 G HN 0.482 nan 8.290 nan 0.000 0.527 85 N N 0.642 119.442 118.700 0.166 0.000 2.231 85 N HA 0.442 4.746 4.740 -0.727 0.000 0.223 85 N C 0.018 175.503 175.510 -0.042 0.000 1.329 85 N CA 1.014 54.107 53.050 0.072 0.000 0.889 85 N CB 1.045 39.571 38.487 0.065 0.000 1.125 85 N HN 1.089 nan 8.380 nan 0.000 0.447 86 S N -1.872 113.741 115.700 -0.145 0.000 2.580 86 S HA 0.478 4.512 4.470 -0.727 0.000 0.281 86 S C -1.730 172.718 174.600 -0.254 0.000 1.129 86 S CA -0.782 57.211 58.200 -0.345 0.000 0.862 86 S CB 0.425 63.115 63.200 -0.850 0.000 1.090 86 S HN 0.649 nan 8.310 nan 0.000 0.451 87 S N 1.441 117.000 115.700 -0.236 0.000 2.634 87 S HA 0.654 4.688 4.470 -0.727 0.000 0.296 87 S C -0.794 173.723 174.600 -0.139 0.000 1.104 87 S CA -0.676 57.432 58.200 -0.153 0.000 0.920 87 S CB 1.693 64.835 63.200 -0.098 0.000 1.111 87 S HN 0.769 nan 8.310 nan 0.000 0.493 88 V N 3.117 122.968 119.914 -0.105 0.000 2.479 88 V HA 0.126 3.810 4.120 -0.727 0.000 0.281 88 V C 0.469 176.553 176.094 -0.018 0.000 1.031 88 V CA 0.299 62.554 62.300 -0.075 0.000 1.038 88 V CB 0.008 31.780 31.823 -0.086 0.000 0.981 88 V HN 0.926 nan 8.190 nan 0.000 0.478 89 F N 5.863 125.718 119.950 -0.159 0.000 2.437 89 F HA 0.413 4.505 4.527 -0.726 0.000 0.288 89 F C 0.446 176.146 175.800 -0.166 0.000 1.085 89 F CA 0.486 58.401 58.000 -0.141 0.000 1.430 89 F CB 0.525 39.451 39.000 -0.124 0.000 1.120 89 F HN 0.359 nan 8.300 nan 0.000 0.556 90 L N 1.913 123.254 121.223 0.197 0.000 2.529 90 L HA 0.303 4.207 4.340 -0.727 0.000 0.258 90 L C -0.560 176.245 176.870 -0.108 0.000 1.032 90 L CA -0.536 54.313 54.840 0.015 0.000 0.899 90 L CB 0.608 42.707 42.059 0.066 0.000 1.174 90 L HN -0.069 nan 8.230 nan 0.000 0.458 91 E N 1.657 121.771 120.200 -0.143 0.000 2.652 91 E HA -0.121 3.793 4.350 -0.727 0.000 0.255 91 E C 0.727 177.235 176.600 -0.155 0.000 0.952 91 E CA 0.344 56.660 56.400 -0.141 0.000 0.947 91 E CB 0.884 30.500 29.700 -0.141 0.000 0.912 91 E HN 0.713 nan 8.360 nan 0.000 0.489 92 N N 1.758 120.386 118.700 -0.121 0.000 2.094 92 N HA -0.233 4.071 4.740 -0.727 0.000 0.191 92 N C 1.111 176.564 175.510 -0.094 0.000 1.023 92 N CA 1.845 54.835 53.050 -0.101 0.000 0.857 92 N CB -0.522 37.916 38.487 -0.081 0.000 1.013 92 N HN 0.255 nan 8.380 nan 0.000 0.426 93 S N -2.422 113.220 115.700 -0.097 0.000 2.942 93 S HA 0.146 4.180 4.470 -0.727 0.000 0.244 93 S C 0.883 175.406 174.600 -0.127 0.000 1.011 93 S CA -0.091 58.059 58.200 -0.083 0.000 1.102 93 S CB -0.718 62.443 63.200 -0.065 0.000 0.812 93 S HN 0.325 nan 8.310 nan 0.000 0.486 94 T N 1.235 115.654 114.554 -0.225 0.000 2.837 94 T HA 0.197 4.111 4.350 -0.727 0.000 0.248 94 T C 0.230 174.681 174.700 -0.415 0.000 1.033 94 T CA 0.652 62.494 62.100 -0.430 0.000 1.150 94 T CB -0.309 68.072 68.868 -0.812 0.000 0.865 94 T HN 0.546 nan 8.240 nan 0.000 0.425 95 F N 2.261 122.175 119.950 -0.060 0.000 2.949 95 F HA 0.290 4.381 4.527 -0.726 0.000 0.291 95 F C 0.963 176.794 175.800 0.052 0.000 1.214 95 F CA -0.993 57.004 58.000 -0.005 0.000 1.381 95 F CB -0.590 38.294 39.000 -0.194 0.000 1.066 95 F HN 0.058 nan 8.300 nan 0.000 0.520 96 D N -0.024 120.458 120.400 0.138 0.000 2.103 96 D HA -0.130 4.074 4.640 -0.727 0.000 0.199 96 D C 1.697 178.071 176.300 0.123 0.000 0.978 96 D CA 1.159 55.219 54.000 0.100 0.000 0.829 96 D CB -0.011 40.809 40.800 0.033 0.000 0.981 96 D HN 0.125 nan 8.370 nan 0.000 0.464 97 E N -0.545 119.728 120.200 0.122 0.000 2.335 97 E HA 0.095 4.009 4.350 -0.727 0.000 0.191 97 E C 0.811 177.487 176.600 0.128 0.000 1.077 97 E CA -0.315 56.138 56.400 0.088 0.000 1.010 97 E CB -0.620 29.109 29.700 0.048 0.000 1.141 97 E HN 0.087 nan 8.360 nan 0.000 0.452 98 F N 0.352 120.336 119.950 0.055 0.000 2.051 98 F HA 0.043 4.134 4.527 -0.727 0.000 0.296 98 F C 1.741 177.503 175.800 -0.064 0.000 1.122 98 F CA 2.190 60.223 58.000 0.054 0.000 1.201 98 F CB 0.001 39.048 39.000 0.077 0.000 0.978 98 F HN 0.184 nan 8.300 nan 0.000 0.472 99 G N -0.089 108.715 108.800 0.006 0.000 2.167 99 G HA2 -0.133 3.391 3.960 -0.727 0.000 0.194 99 G HA3 -0.133 3.391 3.960 -0.727 0.000 0.194 99 G C -0.421 174.220 174.900 -0.432 0.000 1.027 99 G CA 0.023 44.967 45.100 -0.259 0.000 0.717 99 G HN 0.653 nan 8.290 nan 0.000 0.501 100 H N -1.135 118.059 119.070 0.206 0.000 3.068 100 H HA 0.507 4.627 4.556 -0.727 0.000 0.342 100 H C -0.805 174.641 175.328 0.197 0.000 1.284 100 H CA -0.071 56.101 56.048 0.207 0.000 1.181 100 H CB 1.319 31.184 29.762 0.171 0.000 1.898 100 H HN 0.248 nan 8.280 nan 0.000 0.540 101 S N 2.397 118.260 115.700 0.272 0.000 2.399 101 S HA 0.336 4.371 4.470 -0.727 0.000 0.301 101 S C 0.269 174.922 174.600 0.088 0.000 1.093 101 S CA -0.676 57.606 58.200 0.137 0.000 1.077 101 S CB -0.891 62.373 63.200 0.106 0.000 0.980 101 S HN 0.360 nan 8.310 nan 0.000 0.494 102 I N 5.079 125.627 120.570 -0.036 0.000 2.648 102 I HA 0.072 3.806 4.170 -0.727 0.000 0.284 102 I C 1.524 177.597 176.117 -0.072 0.000 1.153 102 I CA -0.206 61.016 61.300 -0.130 0.000 1.426 102 I CB 0.494 38.295 38.000 -0.331 0.000 1.381 102 I HN 0.668 nan 8.210 nan 0.000 0.571 103 N N 3.181 121.834 118.700 -0.078 0.000 2.387 103 N HA 0.001 4.305 4.740 -0.727 0.000 0.176 103 N C -0.217 175.206 175.510 -0.144 0.000 1.022 103 N CA 0.767 53.739 53.050 -0.130 0.000 0.883 103 N CB 0.518 38.893 38.487 -0.186 0.000 1.019 103 N HN 0.681 nan 8.380 nan 0.000 0.435 104 D N -2.059 118.270 120.400 -0.119 0.000 2.653 104 D HA 0.134 4.338 4.640 -0.727 0.000 0.258 104 D C -1.611 174.666 176.300 -0.038 0.000 1.252 104 D CA -0.488 53.451 54.000 -0.103 0.000 0.777 104 D CB 0.926 41.632 40.800 -0.157 0.000 1.339 104 D HN 0.076 nan 8.370 nan 0.000 0.422 105 Y N -0.876 119.399 120.300 -0.041 0.000 2.524 105 Y HA 0.750 4.865 4.550 -0.726 0.000 0.344 105 Y C -0.771 175.178 175.900 0.083 0.000 1.012 105 Y CA -1.002 57.092 58.100 -0.010 0.000 1.068 105 Y CB 1.860 40.298 38.460 -0.036 0.000 1.249 105 Y HN 0.107 nan 8.280 nan 0.000 0.468 106 S N 2.972 118.831 115.700 0.264 0.000 2.776 106 S HA 0.591 4.625 4.470 -0.727 0.000 0.284 106 S C -1.522 173.286 174.600 0.347 0.000 1.160 106 S CA -0.445 57.932 58.200 0.296 0.000 1.051 106 S CB 0.007 63.490 63.200 0.471 0.000 1.037 106 S HN 0.593 nan 8.310 nan 0.000 0.485 107 I N 4.263 124.940 120.570 0.178 0.000 2.472 107 I HA 0.309 4.043 4.170 -0.727 0.000 0.290 107 I C 0.758 176.608 176.117 -0.444 0.000 1.016 107 I CA 0.162 61.443 61.300 -0.032 0.000 1.348 107 I CB 1.777 39.800 38.000 0.039 0.000 1.417 107 I HN 0.710 nan 8.210 nan 0.000 0.521 108 S N 6.004 121.164 115.700 -0.900 0.000 2.549 108 S HA 0.178 4.212 4.470 -0.727 0.000 0.283 108 S C -1.841 172.560 174.600 -0.332 0.000 1.320 108 S CA -0.932 56.587 58.200 -1.135 0.000 1.058 108 S CB 0.325 62.797 63.200 -1.213 0.000 0.882 108 S HN 0.457 nan 8.310 nan 0.000 0.498 109 P HA -0.253 nan 4.420 nan 0.000 0.222 109 P C 0.845 178.146 177.300 0.003 0.000 1.154 109 P CA 1.903 64.994 63.100 -0.015 0.000 0.874 109 P CB -0.120 31.591 31.700 0.018 0.000 0.787 110 D N -2.595 117.802 120.400 -0.004 0.000 2.340 110 D HA 0.086 4.290 4.640 -0.727 0.000 0.220 110 D C 1.358 177.674 176.300 0.027 0.000 1.039 110 D CA 0.680 54.694 54.000 0.023 0.000 0.866 110 D CB -1.146 39.680 40.800 0.043 0.000 0.913 110 D HN 0.229 nan 8.370 nan 0.000 0.523 111 G N 0.503 109.314 108.800 0.019 0.000 2.168 111 G HA2 -0.388 3.136 3.960 -0.727 0.000 0.257 111 G HA3 -0.388 3.136 3.960 -0.727 0.000 0.257 111 G C 0.834 175.731 174.900 -0.005 0.000 0.997 111 G CA 0.551 45.703 45.100 0.087 0.000 0.708 111 G HN 0.472 nan 8.290 nan 0.000 0.520 112 Q N -1.864 117.882 119.800 -0.090 0.000 2.408 112 Q HA 0.445 4.349 4.340 -0.727 0.000 0.205 112 Q C 0.167 175.756 176.000 -0.685 0.000 0.919 112 Q CA 0.505 56.115 55.803 -0.321 0.000 0.932 112 Q CB 0.442 29.034 28.738 -0.242 0.000 1.058 112 Q HN 0.546 nan 8.270 nan 0.000 0.517 113 F N -0.922 118.979 119.950 -0.080 0.000 2.789 113 F HA 0.524 4.615 4.527 -0.726 0.000 0.319 113 F C -0.918 174.847 175.800 -0.057 0.000 1.168 113 F CA -1.150 56.826 58.000 -0.040 0.000 0.934 113 F CB 1.554 40.501 39.000 -0.089 0.000 1.375 113 F HN -0.281 nan 8.300 nan 0.000 0.480 114 I N 2.037 122.842 120.570 0.391 0.000 2.680 114 I HA 0.443 4.177 4.170 -0.727 0.000 0.291 114 I C -2.083 174.327 176.117 0.489 0.000 1.244 114 I CA -0.922 60.583 61.300 0.342 0.000 1.042 114 I CB 1.848 40.044 38.000 0.327 0.000 1.277 114 I HN 0.517 nan 8.210 nan 0.000 0.423 115 L N 8.357 129.937 121.223 0.594 0.000 2.259 115 L HA 0.477 4.381 4.340 -0.727 0.000 0.288 115 L C -1.118 175.927 176.870 0.291 0.000 1.051 115 L CA -0.139 55.031 54.840 0.550 0.000 0.824 115 L CB 0.690 43.150 42.059 0.669 0.000 1.206 115 L HN 0.435 nan 8.230 nan 0.000 0.429 116 L N 4.881 126.181 121.223 0.128 0.000 2.281 116 L HA 0.426 4.330 4.340 -0.727 0.000 0.285 116 L C 0.273 177.100 176.870 -0.071 0.000 1.074 116 L CA -0.267 54.508 54.840 -0.108 0.000 0.817 116 L CB 0.952 42.725 42.059 -0.477 0.000 1.168 116 L HN 0.619 nan 8.230 nan 0.000 0.434 117 E N 4.418 124.509 120.200 -0.180 0.000 2.151 117 E HA 0.455 4.369 4.350 -0.727 0.000 0.275 117 E C -1.553 174.970 176.600 -0.128 0.000 0.936 117 E CA -0.544 55.589 56.400 -0.446 0.000 0.777 117 E CB 1.191 30.623 29.700 -0.446 0.000 1.108 117 E HN 0.472 nan 8.360 nan 0.000 0.401 118 Y N 1.635 121.723 120.300 -0.353 0.000 2.728 118 Y HA 0.459 4.573 4.550 -0.726 0.000 0.330 118 Y C -0.222 175.613 175.900 -0.107 0.000 1.234 118 Y CA -1.705 56.293 58.100 -0.170 0.000 1.070 118 Y CB 0.326 38.727 38.460 -0.098 0.000 1.300 118 Y HN 0.560 nan 8.280 nan 0.000 0.467 119 N N -1.067 117.658 118.700 0.043 0.000 2.747 119 N HA -0.288 4.016 4.740 -0.727 0.000 0.249 119 N C -0.818 174.691 175.510 -0.002 0.000 1.107 119 N CA 0.918 53.955 53.050 -0.021 0.000 0.707 119 N CB -1.969 36.405 38.487 -0.188 0.000 1.054 119 N HN 0.847 nan 8.380 nan 0.000 0.555 120 Y N 0.576 120.823 120.300 -0.089 0.000 2.987 120 Y HA 0.108 4.222 4.550 -0.725 0.000 0.339 120 Y C 0.149 176.019 175.900 -0.051 0.000 1.272 120 Y CA 0.366 58.407 58.100 -0.099 0.000 1.562 120 Y CB 0.557 38.917 38.460 -0.166 0.000 1.253 120 Y HN 0.015 nan 8.280 nan 0.000 0.604 121 V N 7.883 127.405 119.914 -0.654 0.000 2.498 121 V HA 0.204 3.888 4.120 -0.727 0.000 0.283 121 V C -0.131 175.521 176.094 -0.737 0.000 1.015 121 V CA -1.463 60.501 62.300 -0.560 0.000 0.867 121 V CB 1.134 32.816 31.823 -0.235 0.000 1.025 121 V HN 0.805 nan 8.190 nan 0.000 0.441 122 K N 3.478 123.346 120.400 -0.887 0.000 2.187 122 K HA 0.366 4.250 4.320 -0.727 0.000 0.247 122 K C 0.221 176.629 176.600 -0.320 0.000 1.019 122 K CA 0.215 56.200 56.287 -0.503 0.000 0.893 122 K CB 1.271 33.651 32.500 -0.199 0.000 1.025 122 K HN 0.779 nan 8.250 nan 0.000 0.500 123 Q N 0.028 119.665 119.800 -0.270 0.000 2.751 123 Q HA 0.202 4.106 4.340 -0.727 0.000 0.227 123 Q C -0.585 175.264 176.000 -0.250 0.000 1.002 123 Q CA -0.629 54.826 55.803 -0.580 0.000 0.473 123 Q CB 0.435 28.598 28.738 -0.958 0.000 4.297 123 Q HN 0.693 nan 8.270 nan 0.000 0.263 124 W N 0.737 122.043 121.300 0.011 0.000 1.998 124 W HA 0.358 4.579 4.660 -0.732 0.000 0.441 124 W C 1.406 177.895 176.519 -0.050 0.000 1.859 124 W CA -0.602 56.757 57.345 0.023 0.000 2.071 124 W CB 0.106 29.537 29.460 -0.048 0.000 1.474 124 W HN 0.535 nan 8.180 nan 0.000 0.734 125 R N -0.119 120.468 120.500 0.144 0.000 2.224 125 R HA -0.277 3.627 4.340 -0.727 0.000 0.255 125 R C 1.638 177.758 176.300 -0.299 0.000 1.130 125 R CA 2.662 58.643 56.100 -0.198 0.000 0.957 125 R CB -0.737 29.244 30.300 -0.533 0.000 0.907 125 R HN 0.569 nan 8.270 nan 0.000 0.446 126 H N -1.959 117.190 119.070 0.131 0.000 2.926 126 H HA 0.245 4.367 4.556 -0.724 0.000 0.249 126 H C 0.621 176.055 175.328 0.176 0.000 0.963 126 H CA 0.415 56.569 56.048 0.177 0.000 1.158 126 H CB -0.241 29.606 29.762 0.141 0.000 1.445 126 H HN 0.289 nan 8.280 nan 0.000 0.452 127 S N 1.376 117.077 115.700 0.002 0.000 2.580 127 S HA 0.249 4.283 4.470 -0.727 0.000 0.266 127 S C -0.156 174.396 174.600 -0.079 0.000 1.354 127 S CA -0.172 57.728 58.200 -0.500 0.000 1.008 127 S CB 0.416 62.907 63.200 -1.182 0.000 0.898 127 S HN 0.492 nan 8.310 nan 0.000 0.555 128 Y N -2.694 117.489 120.300 -0.194 0.000 2.786 128 Y HA 0.527 4.640 4.550 -0.728 0.000 0.365 128 Y C -1.098 174.834 175.900 0.054 0.000 1.171 128 Y CA -0.757 57.283 58.100 -0.099 0.000 1.214 128 Y CB 0.284 38.784 38.460 0.067 0.000 1.411 128 Y HN 0.955 nan 8.280 nan 0.000 0.485 129 T N 0.451 115.148 114.554 0.239 0.000 2.856 129 T HA 1.021 4.935 4.350 -0.727 0.000 0.283 129 T C -0.403 174.455 174.700 0.264 0.000 1.008 129 T CA -0.011 62.216 62.100 0.211 0.000 0.997 129 T CB 1.746 70.661 68.868 0.079 0.000 0.992 129 T HN 1.766 nan 8.240 nan 0.000 0.454 130 A N 1.742 124.736 122.820 0.290 0.000 2.567 130 A HA 0.897 4.782 4.320 -0.727 0.000 0.289 130 A C -0.638 176.963 177.584 0.028 0.000 1.177 130 A CA -1.026 51.099 52.037 0.147 0.000 0.694 130 A CB 1.257 20.356 19.000 0.164 0.000 1.292 130 A HN 0.874 nan 8.150 nan 0.000 0.425 131 S N -0.773 114.674 115.700 -0.422 0.000 2.532 131 S HA 0.811 4.845 4.470 -0.727 0.000 0.301 131 S C -1.522 172.699 174.600 -0.632 0.000 1.083 131 S CA -0.188 57.664 58.200 -0.579 0.000 1.025 131 S CB 0.876 63.296 63.200 -1.299 0.000 1.056 131 S HN 0.467 nan 8.310 nan 0.000 0.494 132 Y N 0.127 120.290 120.300 -0.228 0.000 2.634 132 Y HA 0.649 4.763 4.550 -0.727 0.000 0.340 132 Y C -0.355 175.655 175.900 0.183 0.000 1.058 132 Y CA -1.027 57.084 58.100 0.019 0.000 1.081 132 Y CB 1.717 40.108 38.460 -0.114 0.000 1.295 132 Y HN 0.516 nan 8.280 nan 0.000 0.487 133 D N 0.981 121.591 120.400 0.351 0.000 2.886 133 D HA 0.432 4.636 4.640 -0.727 0.000 0.216 133 D C -1.274 175.187 176.300 0.268 0.000 1.256 133 D CA -0.287 53.886 54.000 0.288 0.000 0.844 133 D CB 2.520 43.547 40.800 0.377 0.000 1.669 133 D HN 0.371 nan 8.370 nan 0.000 0.513 134 I N 1.544 122.256 120.570 0.236 0.000 2.460 134 I HA 0.341 4.075 4.170 -0.727 0.000 0.298 134 I C -0.745 175.603 176.117 0.385 0.000 0.989 134 I CA -0.933 60.550 61.300 0.305 0.000 1.173 134 I CB 1.617 39.712 38.000 0.159 0.000 1.338 134 I HN 0.270 nan 8.210 nan 0.000 0.456 135 Y N 4.809 125.330 120.300 0.369 0.000 2.338 135 Y HA 0.221 4.335 4.550 -0.727 0.000 0.328 135 Y C 0.153 176.321 175.900 0.446 0.000 0.965 135 Y CA -0.809 57.526 58.100 0.391 0.000 1.208 135 Y CB 1.073 39.817 38.460 0.473 0.000 1.132 135 Y HN 0.544 nan 8.280 nan 0.000 0.469 136 D N 7.470 128.069 120.400 0.332 0.000 2.598 136 D HA -0.037 4.167 4.640 -0.727 0.000 0.231 136 D C 1.386 177.723 176.300 0.061 0.000 1.127 136 D CA 0.659 54.818 54.000 0.265 0.000 1.126 136 D CB 0.059 41.004 40.800 0.242 0.000 1.124 136 D HN 0.930 nan 8.370 nan 0.000 0.485 137 L N 1.625 123.012 121.223 0.273 0.000 2.195 137 L HA -0.371 3.533 4.340 -0.727 0.000 0.225 137 L C 2.191 179.063 176.870 0.004 0.000 1.096 137 L CA 1.375 56.332 54.840 0.195 0.000 0.814 137 L CB -0.461 41.570 42.059 -0.046 0.000 0.901 137 L HN 0.367 nan 8.230 nan 0.000 0.446 138 N N 0.304 118.919 118.700 -0.143 0.000 2.135 138 N HA -0.128 4.176 4.740 -0.727 0.000 0.186 138 N C 1.466 176.923 175.510 -0.088 0.000 1.027 138 N CA 1.562 54.529 53.050 -0.138 0.000 0.849 138 N CB -0.108 38.268 38.487 -0.185 0.000 1.002 138 N HN 0.561 nan 8.380 nan 0.000 0.425 139 K N 1.095 121.441 120.400 -0.089 0.000 2.437 139 K HA 0.215 4.099 4.320 -0.727 0.000 0.198 139 K C -0.137 176.403 176.600 -0.100 0.000 1.024 139 K CA -0.209 56.034 56.287 -0.074 0.000 1.148 139 K CB 0.213 32.678 32.500 -0.057 0.000 0.860 139 K HN -0.073 nan 8.250 nan 0.000 0.515 140 R N 1.589 122.045 120.500 -0.073 0.000 3.211 140 R HA -0.213 3.691 4.340 -0.727 0.000 0.240 140 R C -0.799 175.243 176.300 -0.430 0.000 0.915 140 R CA 0.928 57.012 56.100 -0.027 0.000 0.621 140 R CB -1.548 28.816 30.300 0.107 0.000 1.008 140 R HN 0.611 nan 8.270 nan 0.000 0.471 141 Q N -0.236 119.154 119.800 -0.683 0.000 2.484 141 Q HA 0.467 4.371 4.340 -0.727 0.000 0.285 141 Q C -0.960 174.678 176.000 -0.603 0.000 1.097 141 Q CA -1.214 54.264 55.803 -0.541 0.000 0.802 141 Q CB 1.651 30.262 28.738 -0.212 0.000 1.444 141 Q HN 0.067 nan 8.270 nan 0.000 0.429 142 L N 2.427 123.498 121.223 -0.253 0.000 2.353 142 L HA 0.371 4.275 4.340 -0.727 0.000 0.269 142 L C -0.870 176.014 176.870 0.022 0.000 1.085 142 L CA -0.048 54.776 54.840 -0.027 0.000 0.938 142 L CB 0.059 42.200 42.059 0.136 0.000 1.312 142 L HN 0.543 nan 8.230 nan 0.000 0.429 143 I N 3.608 124.197 120.570 0.032 0.000 3.298 143 I HA -0.198 3.536 4.170 -0.727 0.000 0.327 143 I C 1.345 177.469 176.117 0.012 0.000 1.247 143 I CA 1.162 62.472 61.300 0.016 0.000 1.416 143 I CB -0.085 37.914 38.000 -0.001 0.000 1.360 143 I HN 0.748 nan 8.210 nan 0.000 0.507 144 T N 1.324 115.875 114.554 -0.006 0.000 2.990 144 T HA 0.103 4.017 4.350 -0.727 0.000 0.250 144 T C 0.637 175.319 174.700 -0.029 0.000 1.041 144 T CA -0.435 61.657 62.100 -0.013 0.000 1.010 144 T CB 0.103 68.963 68.868 -0.014 0.000 1.003 144 T HN 0.692 nan 8.240 nan 0.000 0.499 145 E N 1.408 121.588 120.200 -0.033 0.000 2.359 145 E HA 0.176 4.090 4.350 -0.727 0.000 0.255 145 E C -0.719 175.844 176.600 -0.061 0.000 1.191 145 E CA -0.777 55.598 56.400 -0.043 0.000 0.952 145 E CB 0.348 30.027 29.700 -0.035 0.000 1.152 145 E HN 0.040 nan 8.360 nan 0.000 0.496 146 E N 0.865 121.022 120.200 -0.072 0.000 1.477 146 E HA -0.236 3.678 4.350 -0.727 0.000 0.193 146 E C -0.654 175.877 176.600 -0.114 0.000 1.137 146 E CA 0.983 57.327 56.400 -0.094 0.000 0.566 146 E CB -1.017 28.633 29.700 -0.083 0.000 1.013 146 E HN 0.370 nan 8.360 nan 0.000 0.267 147 R N 1.162 121.581 120.500 -0.136 0.000 2.598 147 R HA 0.514 4.418 4.340 -0.727 0.000 0.279 147 R C 1.001 177.144 176.300 -0.262 0.000 0.984 147 R CA -1.039 54.969 56.100 -0.153 0.000 0.999 147 R CB 1.153 31.390 30.300 -0.106 0.000 1.114 147 R HN 0.229 nan 8.270 nan 0.000 0.493 148 I N 3.213 123.595 120.570 -0.313 0.000 2.710 148 I HA 0.005 3.739 4.170 -0.727 0.000 0.286 148 I C -1.807 174.004 176.117 -0.509 0.000 1.181 148 I CA -1.413 59.547 61.300 -0.567 0.000 1.430 148 I CB 0.361 38.023 38.000 -0.563 0.000 1.367 148 I HN 0.216 nan 8.210 nan 0.000 0.577 149 P HA 0.064 nan 4.420 nan 0.000 0.271 149 P C -0.660 176.387 177.300 -0.422 0.000 1.216 149 P CA -0.228 62.454 63.100 -0.697 0.000 0.771 149 P CB 0.327 31.209 31.700 -1.362 0.000 0.864 150 N N 3.642 122.177 118.700 -0.276 0.000 2.395 150 N HA -0.037 4.267 4.740 -0.727 0.000 0.246 150 N C 0.579 176.085 175.510 -0.007 0.000 1.246 150 N CA 0.724 53.694 53.050 -0.132 0.000 0.879 150 N CB -0.160 38.272 38.487 -0.093 0.000 1.098 150 N HN 0.442 nan 8.380 nan 0.000 0.444 151 N N -0.963 117.776 118.700 0.065 0.000 2.952 151 N HA -0.143 4.161 4.740 -0.727 0.000 0.245 151 N C -0.870 174.828 175.510 0.313 0.000 1.029 151 N CA 0.563 53.728 53.050 0.192 0.000 0.870 151 N CB -1.579 37.079 38.487 0.285 0.000 1.121 151 N HN 0.473 nan 8.380 nan 0.000 0.559 152 T N 1.426 116.117 114.554 0.228 0.000 2.853 152 T HA 0.075 3.989 4.350 -0.727 0.000 0.298 152 T C 1.690 176.514 174.700 0.207 0.000 0.978 152 T CA 0.240 62.478 62.100 0.229 0.000 1.152 152 T CB 0.872 69.693 68.868 -0.079 0.000 0.914 152 T HN 0.160 nan 8.240 nan 0.000 0.539 153 Q N 2.012 121.955 119.800 0.238 0.000 2.378 153 Q HA 0.145 4.050 4.340 -0.727 0.000 0.205 153 Q C 0.189 176.391 176.000 0.338 0.000 0.954 153 Q CA 0.474 56.454 55.803 0.296 0.000 0.901 153 Q CB 0.631 29.548 28.738 0.298 0.000 0.981 153 Q HN 0.698 nan 8.270 nan 0.000 0.483 154 W N -0.586 120.679 121.300 -0.059 0.000 3.298 154 W HA 0.459 4.683 4.660 -0.728 0.000 0.302 154 W C -2.096 174.326 176.519 -0.161 0.000 1.255 154 W CA -0.647 56.610 57.345 -0.147 0.000 1.196 154 W CB 1.114 30.435 29.460 -0.232 0.000 1.364 154 W HN -0.328 nan 8.180 nan 0.000 0.566 155 V N 1.985 121.040 119.914 -1.432 0.000 3.206 155 V HA 0.808 4.492 4.120 -0.727 0.000 0.305 155 V C -0.582 174.965 176.094 -0.913 0.000 1.257 155 V CA -0.735 61.007 62.300 -0.930 0.000 1.057 155 V CB 1.968 33.204 31.823 -0.979 0.000 1.075 155 V HN 0.511 nan 8.190 nan 0.000 0.443 156 T N 0.675 115.000 114.554 -0.382 0.000 4.045 156 T HA 0.308 4.223 4.350 -0.727 0.000 0.399 156 T C -1.826 172.885 174.700 0.019 0.000 1.270 156 T CA -0.436 61.641 62.100 -0.038 0.000 1.126 156 T CB 0.211 69.335 68.868 0.425 0.000 1.272 156 T HN 0.525 nan 8.240 nan 0.000 0.472 157 W N 3.620 124.995 121.300 0.125 0.000 2.126 157 W HA 0.478 4.703 4.660 -0.726 0.000 0.346 157 W C 1.273 177.639 176.519 -0.254 0.000 1.279 157 W CA -0.213 57.142 57.345 0.016 0.000 1.259 157 W CB 0.544 30.023 29.460 0.032 0.000 1.133 157 W HN 0.798 nan 8.180 nan 0.000 0.592 158 S N 2.090 117.563 115.700 -0.379 0.000 2.585 158 S HA 0.162 4.196 4.470 -0.727 0.000 0.273 158 S C -1.525 172.833 174.600 -0.404 0.000 1.339 158 S CA -1.137 56.330 58.200 -1.222 0.000 1.028 158 S CB 1.017 63.444 63.200 -1.289 0.000 0.906 158 S HN 0.423 nan 8.310 nan 0.000 0.528 159 P HA 0.186 nan 4.420 nan 0.000 0.258 159 P C -0.526 176.746 177.300 -0.047 0.000 1.319 159 P CA 0.223 63.291 63.100 -0.054 0.000 0.785 159 P CB -0.197 31.517 31.700 0.023 0.000 1.252 160 V N -1.956 117.898 119.914 -0.101 0.000 3.177 160 V HA 0.481 4.165 4.120 -0.727 0.000 0.287 160 V C 0.779 176.819 176.094 -0.091 0.000 1.465 160 V CA -0.019 62.239 62.300 -0.070 0.000 1.020 160 V CB 1.220 32.999 31.823 -0.074 0.000 1.152 160 V HN 0.375 nan 8.190 nan 0.000 0.448 161 G N 2.644 111.402 108.800 -0.071 0.000 2.622 161 G HA2 -0.267 3.257 3.960 -0.727 0.000 0.307 161 G HA3 -0.267 3.257 3.960 -0.727 0.000 0.307 161 G C 0.281 175.171 174.900 -0.018 0.000 1.226 161 G CA 1.120 46.145 45.100 -0.125 0.000 0.997 161 G HN 2.206 nan 8.290 nan 0.000 0.551 162 H N -0.874 118.274 119.070 0.131 0.000 3.233 162 H HA 0.443 4.563 4.556 -0.727 0.000 0.232 162 H C 0.190 175.742 175.328 0.373 0.000 1.322 162 H CA -0.233 55.992 56.048 0.296 0.000 1.043 162 H CB -0.178 29.807 29.762 0.372 0.000 2.572 162 H HN 0.463 nan 8.280 nan 0.000 0.597 163 K N 1.770 122.322 120.400 0.253 0.000 2.295 163 K HA 0.378 4.262 4.320 -0.727 0.000 0.270 163 K C -0.506 176.219 176.600 0.209 0.000 1.011 163 K CA -0.294 56.112 56.287 0.197 0.000 0.953 163 K CB 1.648 34.137 32.500 -0.018 0.000 0.956 163 K HN 0.216 nan 8.250 nan 0.000 0.477 164 L N 1.938 123.296 121.223 0.226 0.000 2.356 164 L HA 0.461 4.365 4.340 -0.727 0.000 0.277 164 L C -0.921 176.110 176.870 0.268 0.000 0.996 164 L CA -0.655 54.239 54.840 0.089 0.000 0.822 164 L CB 1.914 43.894 42.059 -0.133 0.000 1.256 164 L HN 0.689 nan 8.230 nan 0.000 0.413 165 A N 4.011 127.013 122.820 0.304 0.000 2.332 165 A HA 0.716 4.600 4.320 -0.727 0.000 0.300 165 A C -1.403 176.227 177.584 0.077 0.000 1.153 165 A CA -0.376 51.755 52.037 0.156 0.000 0.764 165 A CB 0.676 19.728 19.000 0.086 0.000 1.174 165 A HN 0.624 nan 8.150 nan 0.000 0.467 166 Y N 0.334 120.613 120.300 -0.036 0.000 2.536 166 Y HA 0.792 4.905 4.550 -0.727 0.000 0.347 166 Y C -0.807 175.127 175.900 0.057 0.000 1.000 166 Y CA -1.639 56.411 58.100 -0.082 0.000 1.051 166 Y CB 1.106 39.431 38.460 -0.224 0.000 1.259 166 Y HN 0.307 nan 8.280 nan 0.000 0.468 167 V N 2.463 122.499 119.914 0.204 0.000 2.532 167 V HA 0.341 4.025 4.120 -0.727 0.000 0.295 167 V C -1.351 174.966 176.094 0.371 0.000 1.041 167 V CA -0.537 61.857 62.300 0.157 0.000 0.926 167 V CB 1.378 33.218 31.823 0.028 0.000 0.992 167 V HN 0.897 nan 8.190 nan 0.000 0.457 168 W N 5.585 126.999 121.300 0.191 0.000 3.097 168 W HA 0.436 4.660 4.660 -0.726 0.000 0.325 168 W C -0.166 176.436 176.519 0.138 0.000 1.056 168 W CA -0.788 56.651 57.345 0.156 0.000 1.254 168 W CB 0.623 30.156 29.460 0.122 0.000 1.202 168 W HN 0.799 nan 8.180 nan 0.000 0.400 169 N N 5.436 123.737 118.700 -0.665 0.000 2.862 169 N HA -0.273 4.031 4.740 -0.727 0.000 0.246 169 N C -0.031 175.259 175.510 -0.368 0.000 1.111 169 N CA 0.638 53.276 53.050 -0.687 0.000 0.688 169 N CB -1.208 36.547 38.487 -1.220 0.000 1.018 169 N HN 0.715 nan 8.380 nan 0.000 0.556 170 N N -1.260 117.308 118.700 -0.221 0.000 2.753 170 N HA -0.158 4.146 4.740 -0.727 0.000 0.251 170 N C -1.530 173.844 175.510 -0.226 0.000 1.097 170 N CA 1.759 54.703 53.050 -0.177 0.000 0.786 170 N CB -0.612 37.742 38.487 -0.221 0.000 1.137 170 N HN 0.563 nan 8.380 nan 0.000 0.566 171 D N -0.013 120.243 120.400 -0.240 0.000 2.646 171 D HA 0.426 4.630 4.640 -0.727 0.000 0.245 171 D C 0.500 176.531 176.300 -0.449 0.000 1.099 171 D CA -0.468 53.293 54.000 -0.399 0.000 0.849 171 D CB 1.344 41.857 40.800 -0.478 0.000 1.448 171 D HN 0.018 nan 8.370 nan 0.000 0.489 172 I N 1.764 121.928 120.570 -0.677 0.000 2.575 172 I HA 0.162 3.896 4.170 -0.727 0.000 0.285 172 I C -0.623 174.962 176.117 -0.886 0.000 1.085 172 I CA -0.072 60.842 61.300 -0.644 0.000 1.403 172 I CB 0.368 37.932 38.000 -0.727 0.000 1.409 172 I HN 0.194 nan 8.210 nan 0.000 0.557 173 Y N 3.854 123.781 120.300 -0.622 0.000 2.433 173 Y HA 0.484 4.598 4.550 -0.727 0.000 0.337 173 Y C -0.342 175.234 175.900 -0.539 0.000 1.026 173 Y CA -0.773 56.930 58.100 -0.662 0.000 1.037 173 Y CB 1.871 39.713 38.460 -1.030 0.000 1.245 173 Y HN 0.135 nan 8.280 nan 0.000 0.443 174 V N 3.578 123.456 119.914 -0.060 0.000 2.667 174 V HA 0.547 4.231 4.120 -0.727 0.000 0.308 174 V C -0.782 175.451 176.094 0.233 0.000 1.048 174 V CA -1.225 61.135 62.300 0.100 0.000 0.928 174 V CB 2.098 34.000 31.823 0.132 0.000 1.004 174 V HN 0.634 nan 8.190 nan 0.000 0.444 175 K N 4.191 124.745 120.400 0.256 0.000 2.640 175 K HA 0.438 4.322 4.320 -0.727 0.000 0.245 175 K C 0.213 176.967 176.600 0.256 0.000 0.962 175 K CA -0.682 55.740 56.287 0.225 0.000 0.896 175 K CB 1.717 34.310 32.500 0.156 0.000 1.147 175 K HN 0.363 nan 8.250 nan 0.000 0.445 176 I N 0.883 121.626 120.570 0.290 0.000 2.361 176 I HA -0.109 3.625 4.170 -0.727 0.000 0.251 176 I C 0.343 176.631 176.117 0.284 0.000 1.133 176 I CA 1.536 63.005 61.300 0.281 0.000 1.413 176 I CB -0.371 37.803 38.000 0.290 0.000 1.073 176 I HN 0.564 nan 8.210 nan 0.000 0.424 177 E N -0.409 119.910 120.200 0.198 0.000 2.256 177 E HA 0.279 4.193 4.350 -0.727 0.000 0.268 177 E C -1.845 174.737 176.600 -0.029 0.000 0.877 177 E CA -2.034 54.439 56.400 0.123 0.000 0.757 177 E CB 1.946 31.709 29.700 0.106 0.000 1.183 177 E HN -0.167 nan 8.360 nan 0.000 0.418 178 P HA -0.197 nan 4.420 nan 0.000 0.217 178 P C 0.748 177.932 177.300 -0.193 0.000 1.151 178 P CA 1.435 64.344 63.100 -0.317 0.000 0.849 178 P CB 0.268 31.438 31.700 -0.884 0.000 0.787 179 N N -1.215 117.394 118.700 -0.150 0.000 2.276 179 N HA 0.035 4.339 4.740 -0.727 0.000 0.212 179 N C -0.021 175.459 175.510 -0.049 0.000 1.127 179 N CA 0.146 53.148 53.050 -0.080 0.000 0.834 179 N CB -0.073 38.386 38.487 -0.047 0.000 1.014 179 N HN 0.190 nan 8.380 nan 0.000 0.491 180 L N 0.562 121.758 121.223 -0.044 0.000 2.304 180 L HA 0.582 4.486 4.340 -0.727 0.000 0.268 180 L C -2.108 174.714 176.870 -0.081 0.000 1.010 180 L CA -2.301 52.510 54.840 -0.048 0.000 0.813 180 L CB 1.964 44.008 42.059 -0.027 0.000 1.315 180 L HN -0.101 nan 8.230 nan 0.000 0.445 181 P HA 0.092 nan 4.420 nan 0.000 0.273 181 P C -1.018 176.164 177.300 -0.197 0.000 1.250 181 P CA -0.322 62.692 63.100 -0.144 0.000 0.793 181 P CB 0.756 32.367 31.700 -0.149 0.000 1.011 182 S N -0.236 115.392 115.700 -0.121 0.000 2.617 182 S HA 0.464 4.498 4.470 -0.727 0.000 0.283 182 S C -0.588 173.978 174.600 -0.057 0.000 1.189 182 S CA -0.262 57.915 58.200 -0.039 0.000 1.036 182 S CB 0.223 63.488 63.200 0.108 0.000 1.014 182 S HN 0.276 nan 8.310 nan 0.000 0.522 183 Y N 0.846 121.195 120.300 0.082 0.000 2.341 183 Y HA 0.445 4.559 4.550 -0.727 0.000 0.337 183 Y C 0.703 176.571 175.900 -0.053 0.000 1.014 183 Y CA -0.768 57.367 58.100 0.059 0.000 1.111 183 Y CB 0.843 39.335 38.460 0.054 0.000 1.194 183 Y HN 0.470 nan 8.280 nan 0.000 0.462 184 R N 3.350 123.842 120.500 -0.014 0.000 2.340 184 R HA 0.235 4.139 4.340 -0.727 0.000 0.300 184 R C 0.060 175.887 176.300 -0.788 0.000 1.069 184 R CA -0.156 55.556 56.100 -0.646 0.000 0.984 184 R CB 0.486 30.172 30.300 -1.023 0.000 1.003 184 R HN 0.768 nan 8.270 nan 0.000 0.459 185 I N 2.057 122.138 120.570 -0.816 0.000 2.731 185 I HA -0.028 3.706 4.170 -0.727 0.000 0.260 185 I C 1.092 176.893 176.117 -0.527 0.000 1.138 185 I CA 1.020 62.015 61.300 -0.509 0.000 1.461 185 I CB -0.506 37.241 38.000 -0.421 0.000 1.128 185 I HN 0.635 nan 8.210 nan 0.000 0.438 186 T N -3.578 110.494 114.554 -0.803 0.000 2.886 186 T HA 0.335 4.249 4.350 -0.727 0.000 0.292 186 T C -0.381 173.972 174.700 -0.579 0.000 1.012 186 T CA -0.555 61.256 62.100 -0.482 0.000 0.982 186 T CB 1.615 70.220 68.868 -0.438 0.000 1.018 186 T HN 0.203 nan 8.240 nan 0.000 0.451 187 W N 2.231 123.413 121.300 -0.196 0.000 2.966 187 W HA 0.164 4.389 4.660 -0.726 0.000 0.406 187 W C 1.148 177.594 176.519 -0.122 0.000 1.027 187 W CA -0.265 56.997 57.345 -0.138 0.000 1.930 187 W CB 0.465 29.872 29.460 -0.089 0.000 1.144 187 W HN 0.971 nan 8.180 nan 0.000 0.626 188 T N -3.060 111.498 114.554 0.008 0.000 3.069 188 T HA 0.190 4.104 4.350 -0.727 0.000 0.252 188 T C 1.195 175.848 174.700 -0.079 0.000 1.053 188 T CA -0.040 62.050 62.100 -0.017 0.000 0.964 188 T CB 0.386 69.242 68.868 -0.021 0.000 1.005 188 T HN -0.023 nan 8.240 nan 0.000 0.532 189 G N 1.325 110.040 108.800 -0.142 0.000 2.368 189 G HA2 0.337 3.861 3.960 -0.727 0.000 0.233 189 G HA3 0.337 3.861 3.960 -0.727 0.000 0.233 189 G C -0.573 174.228 174.900 -0.164 0.000 1.267 189 G CA -0.259 44.731 45.100 -0.183 0.000 0.873 189 G HN 0.590 nan 8.290 nan 0.000 0.539 190 K N 1.394 121.674 120.400 -0.201 0.000 2.579 190 K HA 0.125 4.009 4.320 -0.727 0.000 0.257 190 K C -0.392 176.058 176.600 -0.250 0.000 0.950 190 K CA -0.648 55.529 56.287 -0.184 0.000 0.862 190 K CB 1.429 33.853 32.500 -0.126 0.000 1.317 190 K HN 0.663 nan 8.250 nan 0.000 0.436 191 E N 3.495 123.572 120.200 -0.206 0.000 2.558 191 E HA -0.119 3.795 4.350 -0.727 0.000 0.255 191 E C -0.594 175.897 176.600 -0.181 0.000 0.968 191 E CA 0.886 57.170 56.400 -0.194 0.000 0.939 191 E CB 0.275 29.906 29.700 -0.115 0.000 0.921 191 E HN 0.629 nan 8.360 nan 0.000 0.477 192 D N 2.694 122.961 120.400 -0.222 0.000 3.077 192 D HA -0.225 3.979 4.640 -0.727 0.000 0.217 192 D C 0.462 176.714 176.300 -0.081 0.000 1.162 192 D CA 1.207 55.170 54.000 -0.062 0.000 0.943 192 D CB -0.478 40.345 40.800 0.038 0.000 1.122 192 D HN 0.426 nan 8.370 nan 0.000 0.413 193 I N -1.114 119.302 120.570 -0.256 0.000 3.664 193 I HA 0.113 3.847 4.170 -0.727 0.000 0.251 193 I C 0.729 176.775 176.117 -0.118 0.000 1.134 193 I CA 0.394 61.628 61.300 -0.110 0.000 1.520 193 I CB 0.003 37.957 38.000 -0.076 0.000 1.638 193 I HN -0.148 nan 8.210 nan 0.000 0.431 194 I N 2.023 122.456 120.570 -0.229 0.000 2.382 194 I HA 0.267 4.001 4.170 -0.727 0.000 0.286 194 I C -1.186 174.814 176.117 -0.195 0.000 1.002 194 I CA -0.674 60.565 61.300 -0.102 0.000 1.135 194 I CB 0.683 38.651 38.000 -0.054 0.000 1.288 194 I HN 0.057 nan 8.210 nan 0.000 0.448 195 Y N 4.904 125.253 120.300 0.081 0.000 2.342 195 Y HA 0.398 4.511 4.550 -0.728 0.000 0.338 195 Y C 0.567 176.466 175.900 -0.003 0.000 0.965 195 Y CA -0.601 57.539 58.100 0.067 0.000 1.159 195 Y CB 1.010 39.585 38.460 0.192 0.000 1.157 195 Y HN 0.399 nan 8.280 nan 0.000 0.486 196 N N 2.657 121.361 118.700 0.005 0.000 2.564 196 N HA 0.349 4.653 4.740 -0.727 0.000 0.248 196 N C 0.653 175.998 175.510 -0.276 0.000 0.986 196 N CA 0.342 53.294 53.050 -0.164 0.000 0.921 196 N CB 1.631 39.923 38.487 -0.324 0.000 1.136 196 N HN 1.014 nan 8.380 nan 0.000 0.509 197 G N 1.537 110.211 108.800 -0.209 0.000 2.195 197 G HA2 -0.208 3.316 3.960 -0.727 0.000 0.224 197 G HA3 -0.208 3.316 3.960 -0.727 0.000 0.224 197 G C 0.056 174.753 174.900 -0.337 0.000 0.990 197 G CA 0.234 45.157 45.100 -0.295 0.000 0.639 197 G HN 0.594 nan 8.290 nan 0.000 0.514 198 I N -1.154 119.273 120.570 -0.237 0.000 2.865 198 I HA 0.838 4.572 4.170 -0.727 0.000 0.302 198 I C 0.213 176.290 176.117 -0.068 0.000 1.140 198 I CA -0.572 60.480 61.300 -0.414 0.000 1.021 198 I CB 2.020 39.578 38.000 -0.736 0.000 1.233 198 I HN 0.193 nan 8.210 nan 0.000 0.427 199 T N -0.446 114.000 114.554 -0.180 0.000 2.881 199 T HA 0.374 4.288 4.350 -0.727 0.000 0.278 199 T C 0.008 174.324 174.700 -0.640 0.000 0.982 199 T CA -0.544 61.263 62.100 -0.487 0.000 0.989 199 T CB 1.476 69.994 68.868 -0.584 0.000 1.058 199 T HN 0.791 nan 8.240 nan 0.000 0.529 200 D N -0.207 119.582 120.400 -1.020 0.000 2.342 200 D HA 0.014 4.218 4.640 -0.727 0.000 0.284 200 D C 0.992 177.079 176.300 -0.354 0.000 1.198 200 D CA -0.748 52.687 54.000 -0.942 0.000 1.061 200 D CB -0.150 40.209 40.800 -0.734 0.000 1.130 200 D HN 0.679 nan 8.370 nan 0.000 0.541 201 W N -0.511 120.610 121.300 -0.299 0.000 2.407 201 W HA -0.058 4.171 4.660 -0.719 0.000 0.305 201 W C 2.203 178.508 176.519 -0.356 0.000 1.196 201 W CA 1.394 58.568 57.345 -0.285 0.000 1.311 201 W CB -0.383 28.863 29.460 -0.355 0.000 1.135 201 W HN 0.132 nan 8.180 nan 0.000 0.514 202 V N 0.124 120.016 119.914 -0.036 0.000 2.626 202 V HA -0.266 3.418 4.120 -0.727 0.000 0.252 202 V C 1.687 177.523 176.094 -0.430 0.000 1.067 202 V CA 1.819 63.999 62.300 -0.200 0.000 1.081 202 V CB -0.620 31.117 31.823 -0.144 0.000 0.686 202 V HN 0.285 nan 8.190 nan 0.000 0.468 203 Y N 0.179 120.153 120.300 -0.544 0.000 2.365 203 Y HA -0.016 4.098 4.550 -0.727 0.000 0.293 203 Y C 2.545 178.118 175.900 -0.545 0.000 1.119 203 Y CA 1.658 59.368 58.100 -0.651 0.000 1.203 203 Y CB 0.077 37.890 38.460 -1.079 0.000 1.026 203 Y HN 0.310 nan 8.280 nan 0.000 0.549 204 E N 0.188 120.178 120.200 -0.351 0.000 2.208 204 E HA -0.223 3.691 4.350 -0.727 0.000 0.193 204 E C 1.622 178.085 176.600 -0.229 0.000 0.988 204 E CA 1.252 57.517 56.400 -0.225 0.000 0.828 204 E CB 0.298 29.891 29.700 -0.179 0.000 0.763 204 E HN 0.472 nan 8.360 nan 0.000 0.478 205 E N 0.200 120.097 120.200 -0.504 0.000 2.134 205 E HA -0.043 3.871 4.350 -0.727 0.000 0.194 205 E C 1.438 177.883 176.600 -0.258 0.000 0.937 205 E CA 0.688 56.800 56.400 -0.480 0.000 0.874 205 E CB 0.140 29.184 29.700 -1.094 0.000 0.853 205 E HN 0.026 nan 8.360 nan 0.000 0.471 206 E N -0.010 120.006 120.200 -0.308 0.000 2.489 206 E HA 0.086 4.000 4.350 -0.727 0.000 0.193 206 E C 1.071 177.554 176.600 -0.195 0.000 1.057 206 E CA 0.259 56.546 56.400 -0.189 0.000 0.866 206 E CB 1.212 30.789 29.700 -0.206 0.000 0.916 206 E HN 0.212 nan 8.360 nan 0.000 0.500 207 V N -0.847 118.966 119.914 -0.169 0.000 3.668 207 V HA 0.023 3.707 4.120 -0.727 0.000 0.199 207 V C 1.412 177.698 176.094 0.320 0.000 1.241 207 V CA 0.080 62.378 62.300 -0.002 0.000 1.308 207 V CB -0.415 31.322 31.823 -0.144 0.000 1.411 207 V HN -0.016 nan 8.190 nan 0.000 0.535 208 F N 1.293 121.250 119.950 0.012 0.000 2.367 208 F HA 0.197 4.288 4.527 -0.725 0.000 0.298 208 F C 1.793 177.570 175.800 -0.039 0.000 1.094 208 F CA 0.554 58.578 58.000 0.041 0.000 1.409 208 F CB -0.998 38.070 39.000 0.113 0.000 1.064 208 F HN 0.263 nan 8.300 nan 0.000 0.528 209 S N -0.784 114.976 115.700 0.101 0.000 3.586 209 S HA 0.017 4.051 4.470 -0.727 0.000 0.309 209 S C 0.171 174.472 174.600 -0.498 0.000 1.195 209 S CA 0.436 58.592 58.200 -0.073 0.000 0.895 209 S CB -1.696 61.492 63.200 -0.021 0.000 0.983 209 S HN 0.712 nan 8.310 nan 0.000 0.563 210 A N -0.892 121.791 122.820 -0.228 0.000 2.599 210 A HA 0.772 4.656 4.320 -0.727 0.000 0.290 210 A C -0.206 177.356 177.584 -0.036 0.000 1.101 210 A CA -0.374 51.510 52.037 -0.255 0.000 0.674 210 A CB 0.261 19.174 19.000 -0.145 0.000 1.277 210 A HN 0.252 nan 8.150 nan 0.000 0.419 211 Y N 1.334 121.469 120.300 -0.275 0.000 2.177 211 Y HA 0.163 4.279 4.550 -0.724 0.000 0.291 211 Y C 1.795 177.382 175.900 -0.523 0.000 1.117 211 Y CA 1.206 59.118 58.100 -0.312 0.000 1.114 211 Y CB -0.474 37.834 38.460 -0.254 0.000 1.017 211 Y HN 0.733 nan 8.280 nan 0.000 0.505 212 S N 0.925 116.004 115.700 -1.035 0.000 2.702 212 S HA 0.168 4.202 4.470 -0.727 0.000 0.314 212 S C 0.288 174.476 174.600 -0.686 0.000 1.244 212 S CA 0.344 57.761 58.200 -1.307 0.000 1.058 212 S CB -0.114 62.109 63.200 -1.629 0.000 0.783 212 S HN 0.509 nan 8.310 nan 0.000 0.503 213 A N 5.165 127.599 122.820 -0.645 0.000 2.812 213 A HA 0.547 4.431 4.320 -0.727 0.000 0.294 213 A C -0.465 176.599 177.584 -0.865 0.000 1.014 213 A CA -0.695 51.035 52.037 -0.512 0.000 1.024 213 A CB -0.373 18.615 19.000 -0.021 0.000 1.162 213 A HN 0.840 nan 8.150 nan 0.000 0.511 214 L N -5.137 115.374 121.223 -1.187 0.000 2.341 214 L HA 0.926 4.830 4.340 -0.727 0.000 0.254 214 L C -1.102 175.178 176.870 -0.983 0.000 1.040 214 L CA -1.029 53.354 54.840 -0.762 0.000 0.837 214 L CB 1.106 42.942 42.059 -0.371 0.000 1.425 214 L HN 0.216 nan 8.230 nan 0.000 0.414 215 W N 0.125 121.512 121.300 0.145 0.000 3.405 215 W HA 0.324 4.548 4.660 -0.727 0.000 0.329 215 W C -1.985 174.803 176.519 0.447 0.000 1.142 215 W CA -0.706 56.828 57.345 0.314 0.000 1.235 215 W CB 1.595 31.255 29.460 0.332 0.000 1.341 215 W HN 0.530 nan 8.180 nan 0.000 0.481 216 W N 2.195 123.789 121.300 0.489 0.000 2.376 216 W HA 0.373 4.597 4.660 -0.727 0.000 0.322 216 W C 1.089 177.556 176.519 -0.087 0.000 1.160 216 W CA -0.088 57.416 57.345 0.266 0.000 1.218 216 W CB 1.204 30.757 29.460 0.156 0.000 1.205 216 W HN 0.188 nan 8.180 nan 0.000 0.559 217 S N 2.472 118.021 115.700 -0.252 0.000 2.579 217 S HA 0.130 4.164 4.470 -0.727 0.000 0.275 217 S C -1.712 172.649 174.600 -0.398 0.000 1.345 217 S CA -0.858 56.625 58.200 -1.195 0.000 1.031 217 S CB 1.007 63.551 63.200 -1.095 0.000 0.892 217 S HN 0.318 nan 8.310 nan 0.000 0.529 218 P HA -0.212 nan 4.420 nan 0.000 0.219 218 P C 0.784 178.052 177.300 -0.053 0.000 1.153 218 P CA 1.823 64.876 63.100 -0.077 0.000 0.865 218 P CB -0.181 31.506 31.700 -0.021 0.000 0.788 219 N N -2.941 115.709 118.700 -0.083 0.000 2.187 219 N HA 0.144 4.448 4.740 -0.727 0.000 0.212 219 N C 0.859 176.317 175.510 -0.088 0.000 1.152 219 N CA 0.493 53.503 53.050 -0.066 0.000 0.872 219 N CB -0.657 37.801 38.487 -0.049 0.000 1.025 219 N HN 0.108 nan 8.380 nan 0.000 0.514 220 G N -0.052 108.712 108.800 -0.061 0.000 2.246 220 G HA2 -0.294 3.230 3.960 -0.727 0.000 0.273 220 G HA3 -0.294 3.230 3.960 -0.727 0.000 0.273 220 G C 0.566 175.545 174.900 0.132 0.000 1.055 220 G CA 0.889 46.027 45.100 0.063 0.000 0.851 220 G HN 0.376 nan 8.290 nan 0.000 0.500 221 T N -0.849 113.677 114.554 -0.046 0.000 2.976 221 T HA 0.342 4.256 4.350 -0.727 0.000 0.257 221 T C 0.831 175.324 174.700 -0.345 0.000 1.051 221 T CA 0.871 62.818 62.100 -0.256 0.000 1.141 221 T CB 0.011 68.579 68.868 -0.501 0.000 0.881 221 T HN 0.298 nan 8.240 nan 0.000 0.461 222 F N 0.408 120.424 119.950 0.110 0.000 2.457 222 F HA 0.682 4.773 4.527 -0.727 0.000 0.330 222 F C -0.248 175.651 175.800 0.165 0.000 1.069 222 F CA -1.687 56.407 58.000 0.158 0.000 1.009 222 F CB 1.005 40.177 39.000 0.287 0.000 1.276 222 F HN -0.175 nan 8.300 nan 0.000 0.492 223 L N 1.824 123.221 121.223 0.289 0.000 2.518 223 L HA 0.736 4.640 4.340 -0.727 0.000 0.262 223 L C -0.648 176.301 176.870 0.132 0.000 0.982 223 L CA -0.545 54.290 54.840 -0.007 0.000 0.873 223 L CB 0.501 42.299 42.059 -0.434 0.000 1.198 223 L HN 0.657 nan 8.230 nan 0.000 0.427 224 A N 4.367 127.337 122.820 0.250 0.000 2.257 224 A HA 0.852 4.736 4.320 -0.727 0.000 0.289 224 A C -1.297 176.387 177.584 0.167 0.000 1.095 224 A CA 0.017 52.024 52.037 -0.049 0.000 0.836 224 A CB 0.635 19.620 19.000 -0.025 0.000 1.111 224 A HN 1.166 nan 8.150 nan 0.000 0.497 225 Y N -3.287 116.980 120.300 -0.055 0.000 2.522 225 Y HA 0.599 4.713 4.550 -0.727 0.000 0.326 225 Y C -0.374 175.657 175.900 0.220 0.000 1.198 225 Y CA -0.672 57.486 58.100 0.097 0.000 1.112 225 Y CB 0.204 38.582 38.460 -0.137 0.000 1.342 225 Y HN 1.015 nan 8.280 nan 0.000 0.460 226 A N 3.249 126.410 122.820 0.569 0.000 2.257 226 A HA 0.718 4.602 4.320 -0.727 0.000 0.289 226 A C -0.749 176.849 177.584 0.022 0.000 1.095 226 A CA -0.528 51.685 52.037 0.293 0.000 0.836 226 A CB 1.481 20.579 19.000 0.164 0.000 1.111 226 A HN 0.864 nan 8.150 nan 0.000 0.497 227 Q N -0.008 119.611 119.800 -0.301 0.000 2.315 227 Q HA 0.579 4.483 4.340 -0.727 0.000 0.273 227 Q C -2.245 173.427 176.000 -0.548 0.000 1.053 227 Q CA -0.391 55.277 55.803 -0.225 0.000 0.817 227 Q CB 1.341 30.169 28.738 0.152 0.000 1.326 227 Q HN 0.568 nan 8.270 nan 0.000 0.423 228 F N 2.174 122.197 119.950 0.121 0.000 2.508 228 F HA 0.444 4.537 4.527 -0.724 0.000 0.325 228 F C 0.384 176.309 175.800 0.208 0.000 1.090 228 F CA -0.896 57.168 58.000 0.106 0.000 0.945 228 F CB 1.650 40.647 39.000 -0.006 0.000 1.156 228 F HN 0.456 nan 8.300 nan 0.000 0.463 229 N N 1.991 120.893 118.700 0.336 0.000 2.696 229 N HA 0.187 4.491 4.740 -0.727 0.000 0.246 229 N C -1.092 174.561 175.510 0.237 0.000 1.057 229 N CA -0.367 52.827 53.050 0.240 0.000 0.867 229 N CB 0.537 39.117 38.487 0.156 0.000 1.141 229 N HN 0.567 nan 8.380 nan 0.000 0.517 230 D N 1.281 121.848 120.400 0.279 0.000 2.538 230 D HA 0.091 4.295 4.640 -0.727 0.000 0.234 230 D C 1.305 177.699 176.300 0.157 0.000 1.191 230 D CA 0.070 54.212 54.000 0.235 0.000 0.828 230 D CB 0.532 41.517 40.800 0.308 0.000 0.981 230 D HN 0.390 nan 8.370 nan 0.000 0.490 231 T N 0.592 115.217 114.554 0.119 0.000 2.597 231 T HA -0.240 3.674 4.350 -0.727 0.000 0.267 231 T C 1.366 176.107 174.700 0.069 0.000 1.053 231 T CA 1.344 63.491 62.100 0.078 0.000 1.165 231 T CB -0.101 68.803 68.868 0.060 0.000 0.863 231 T HN 0.316 nan 8.240 nan 0.000 0.427 232 E N 0.472 120.713 120.200 0.069 0.000 2.419 232 E HA 0.182 4.096 4.350 -0.727 0.000 0.190 232 E C -0.573 176.065 176.600 0.065 0.000 1.040 232 E CA -0.306 56.127 56.400 0.056 0.000 0.900 232 E CB 0.419 30.145 29.700 0.045 0.000 1.054 232 E HN 0.180 nan 8.360 nan 0.000 0.462 233 V N 3.262 123.228 119.914 0.087 0.000 2.470 233 V HA 0.090 3.774 4.120 -0.727 0.000 0.276 233 V C -1.906 174.237 176.094 0.082 0.000 1.040 233 V CA -1.545 60.813 62.300 0.097 0.000 1.008 233 V CB 0.536 32.438 31.823 0.132 0.000 0.990 233 V HN 0.086 nan 8.190 nan 0.000 0.477 234 P HA 0.163 nan 4.420 nan 0.000 0.270 234 P C -0.771 176.554 177.300 0.040 0.000 1.227 234 P CA -0.069 63.054 63.100 0.040 0.000 0.788 234 P CB 0.467 32.184 31.700 0.029 0.000 0.926 235 L N 1.409 122.632 121.223 -0.001 0.000 2.341 235 L HA 0.459 4.363 4.340 -0.727 0.000 0.278 235 L C 0.079 176.886 176.870 -0.106 0.000 1.005 235 L CA -1.087 53.740 54.840 -0.022 0.000 0.818 235 L CB 1.462 43.508 42.059 -0.022 0.000 1.259 235 L HN 0.275 nan 8.230 nan 0.000 0.418 236 I N 2.699 123.172 120.570 -0.161 0.000 2.474 236 I HA 0.166 3.900 4.170 -0.727 0.000 0.287 236 I C -0.250 175.736 176.117 -0.219 0.000 1.048 236 I CA 0.252 61.355 61.300 -0.327 0.000 1.383 236 I CB 0.777 38.405 38.000 -0.619 0.000 1.412 236 I HN 0.555 nan 8.210 nan 0.000 0.531 237 E N 8.005 128.082 120.200 -0.207 0.000 2.207 237 E HA 0.301 4.215 4.350 -0.727 0.000 0.250 237 E C -1.648 174.886 176.600 -0.111 0.000 0.890 237 E CA -0.455 55.835 56.400 -0.182 0.000 0.749 237 E CB 1.057 30.670 29.700 -0.145 0.000 1.193 237 E HN 0.584 nan 8.360 nan 0.000 0.423 238 Y N -0.725 119.498 120.300 -0.130 0.000 2.630 238 Y HA 0.717 4.816 4.550 -0.751 0.000 0.337 238 Y C -0.149 175.693 175.900 -0.097 0.000 1.051 238 Y CA -1.342 56.691 58.100 -0.111 0.000 1.121 238 Y CB 0.873 39.294 38.460 -0.065 0.000 1.299 238 Y HN 0.071 nan 8.280 nan 0.000 0.498 239 S N 1.052 116.752 115.700 -0.000 0.000 2.608 239 S HA 0.597 4.631 4.470 -0.727 0.000 0.291 239 S C -1.685 172.824 174.600 -0.153 0.000 1.146 239 S CA -0.622 57.459 58.200 -0.199 0.000 1.043 239 S CB 1.415 64.369 63.200 -0.410 0.000 1.037 239 S HN 0.587 nan 8.310 nan 0.000 0.520 240 F N 1.705 121.436 119.950 -0.366 0.000 2.499 240 F HA 0.438 4.531 4.527 -0.724 0.000 0.333 240 F C -0.351 175.253 175.800 -0.326 0.000 1.138 240 F CA -1.038 56.831 58.000 -0.219 0.000 0.945 240 F CB 0.781 39.765 39.000 -0.026 0.000 1.181 240 F HN 0.632 nan 8.300 nan 0.000 0.435 241 Y N 3.128 123.251 120.300 -0.295 0.000 2.516 241 Y HA 0.064 4.083 4.550 -0.884 0.000 0.291 241 Y C 1.840 177.626 175.900 -0.190 0.000 1.131 241 Y CA 1.169 59.150 58.100 -0.199 0.000 1.281 241 Y CB -0.675 37.664 38.460 -0.202 0.000 1.013 241 Y HN 0.793 nan 8.280 nan 0.000 0.554 242 S N -0.518 114.971 115.700 -0.352 0.000 3.704 242 S HA -0.288 3.746 4.470 -0.727 0.000 0.630 242 S C -0.351 174.241 174.600 -0.012 0.000 2.383 242 S CA 0.752 58.927 58.200 -0.042 0.000 3.461 242 S CB -1.469 61.851 63.200 0.200 0.000 0.276 242 S HN 0.461 nan 8.310 nan 0.000 1.191 243 D N 1.042 121.487 120.400 0.075 0.000 2.340 243 D HA 0.471 4.675 4.640 -0.727 0.000 0.251 243 D C 1.104 177.429 176.300 0.042 0.000 1.080 243 D CA 0.279 54.313 54.000 0.057 0.000 0.971 243 D CB 0.888 41.733 40.800 0.074 0.000 1.137 243 D HN 0.552 nan 8.370 nan 0.000 0.475 244 E N 0.042 120.258 120.200 0.027 0.000 2.331 244 E HA -0.200 3.715 4.350 -0.727 0.000 0.199 244 E C 1.096 177.708 176.600 0.020 0.000 1.008 244 E CA 1.096 57.505 56.400 0.015 0.000 0.843 244 E CB 0.154 29.858 29.700 0.007 0.000 0.761 244 E HN 0.423 nan 8.360 nan 0.000 0.507 245 S N 0.014 115.733 115.700 0.033 0.000 2.496 245 S HA -0.053 3.981 4.470 -0.727 0.000 0.224 245 S C 0.827 175.454 174.600 0.045 0.000 0.996 245 S CA -0.309 57.912 58.200 0.035 0.000 0.927 245 S CB -0.049 63.174 63.200 0.039 0.000 0.774 245 S HN 0.227 nan 8.310 nan 0.000 0.524 246 L N 3.180 124.438 121.223 0.059 0.000 2.485 246 L HA 0.304 4.208 4.340 -0.727 0.000 0.279 246 L C 1.415 178.322 176.870 0.060 0.000 1.124 246 L CA 0.090 54.977 54.840 0.077 0.000 0.888 246 L CB 0.170 42.289 42.059 0.101 0.000 1.217 246 L HN 0.371 nan 8.230 nan 0.000 0.464 247 Q N 4.212 124.048 119.800 0.060 0.000 2.084 247 Q HA -0.133 3.771 4.340 -0.727 0.000 0.202 247 Q C -0.473 175.479 176.000 -0.080 0.000 0.978 247 Q CA 1.439 57.237 55.803 -0.008 0.000 0.844 247 Q CB 0.063 28.815 28.738 0.023 0.000 0.898 247 Q HN 0.665 nan 8.270 nan 0.000 0.426 248 Y N 0.827 121.141 120.300 0.024 0.000 2.328 248 Y HA 0.377 4.489 4.550 -0.730 0.000 0.337 248 Y C -2.099 173.811 175.900 0.017 0.000 0.966 248 Y CA -2.879 55.231 58.100 0.017 0.000 1.136 248 Y CB 1.514 39.977 38.460 0.006 0.000 1.170 248 Y HN 0.155 nan 8.280 nan 0.000 0.470 249 P HA -0.035 nan 4.420 nan 0.000 0.262 249 P C -0.607 176.710 177.300 0.029 0.000 1.182 249 P CA -0.076 63.050 63.100 0.044 0.000 0.761 249 P CB 0.585 32.281 31.700 -0.006 0.000 0.795 250 K N 1.940 122.347 120.400 0.011 0.000 2.098 250 K HA 0.393 4.277 4.320 -0.727 0.000 0.257 250 K C -0.588 175.978 176.600 -0.056 0.000 0.999 250 K CA -0.366 55.928 56.287 0.011 0.000 0.924 250 K CB 0.621 33.159 32.500 0.063 0.000 1.028 250 K HN 0.273 nan 8.250 nan 0.000 0.466 251 T N 2.393 116.899 114.554 -0.080 0.000 2.770 251 T HA 0.274 4.188 4.350 -0.727 0.000 0.283 251 T C -1.010 173.575 174.700 -0.191 0.000 0.988 251 T CA -0.602 61.416 62.100 -0.138 0.000 0.957 251 T CB 1.145 69.943 68.868 -0.117 0.000 0.930 251 T HN 0.306 nan 8.240 nan 0.000 0.443 252 V N 5.660 125.365 119.914 -0.348 0.000 2.432 252 V HA 0.469 4.153 4.120 -0.727 0.000 0.275 252 V C 0.376 176.205 176.094 -0.441 0.000 1.043 252 V CA -0.455 61.561 62.300 -0.473 0.000 0.925 252 V CB 0.970 32.242 31.823 -0.920 0.000 0.985 252 V HN 0.684 nan 8.190 nan 0.000 0.466 253 R N 3.228 123.594 120.500 -0.223 0.000 2.476 253 R HA 0.737 4.641 4.340 -0.727 0.000 0.305 253 R C -1.325 174.955 176.300 -0.032 0.000 0.965 253 R CA -0.484 55.534 56.100 -0.136 0.000 0.867 253 R CB 2.223 32.471 30.300 -0.086 0.000 1.176 253 R HN 0.583 nan 8.270 nan 0.000 0.447 254 V N 2.766 122.676 119.914 -0.006 0.000 2.733 254 V HA 0.545 4.229 4.120 -0.727 0.000 0.306 254 V C -2.784 173.373 176.094 0.106 0.000 1.084 254 V CA -2.704 59.662 62.300 0.110 0.000 0.905 254 V CB 2.498 34.427 31.823 0.177 0.000 1.010 254 V HN 0.534 nan 8.190 nan 0.000 0.424 255 P HA 0.200 nan 4.420 nan 0.000 0.260 255 P C -1.716 175.693 177.300 0.181 0.000 1.207 255 P CA 0.695 63.901 63.100 0.176 0.000 0.780 255 P CB -0.423 31.423 31.700 0.244 0.000 0.789 256 Y N 6.659 126.940 120.300 -0.032 0.000 2.361 256 Y HA 0.416 4.536 4.550 -0.717 0.000 0.328 256 Y C -2.728 173.142 175.900 -0.049 0.000 1.044 256 Y CA -2.916 55.119 58.100 -0.108 0.000 1.085 256 Y CB 1.996 40.276 38.460 -0.300 0.000 1.194 256 Y HN 0.272 nan 8.280 nan 0.000 0.438 257 P HA 0.307 nan 4.420 nan 0.000 0.295 257 P C -1.164 176.272 177.300 0.227 0.000 1.354 257 P CA -0.392 62.811 63.100 0.172 0.000 0.814 257 P CB 1.391 33.151 31.700 0.100 0.000 0.935 258 K N 1.993 122.542 120.400 0.249 0.000 2.090 258 K HA 0.533 4.417 4.320 -0.727 0.000 0.250 258 K C 0.517 177.220 176.600 0.171 0.000 1.004 258 K CA -0.773 55.657 56.287 0.238 0.000 0.919 258 K CB 0.708 33.319 32.500 0.184 0.000 1.045 258 K HN 0.438 nan 8.250 nan 0.000 0.471 259 A N 1.109 124.050 122.820 0.203 0.000 2.592 259 A HA 0.189 4.073 4.320 -0.727 0.000 0.250 259 A C 1.315 178.943 177.584 0.073 0.000 1.017 259 A CA 1.244 53.391 52.037 0.184 0.000 0.794 259 A CB -1.363 17.821 19.000 0.306 0.000 0.917 259 A HN 0.935 nan 8.150 nan 0.000 0.515 260 G N 1.562 110.399 108.800 0.061 0.000 2.417 260 G HA2 0.052 3.576 3.960 -0.727 0.000 0.233 260 G HA3 0.052 3.576 3.960 -0.727 0.000 0.233 260 G C 1.012 175.930 174.900 0.030 0.000 1.103 260 G CA 0.932 46.041 45.100 0.014 0.000 0.647 260 G HN 2.336 nan 8.290 nan 0.000 0.512 261 A N 0.096 122.945 122.820 0.049 0.000 2.339 261 A HA 0.535 4.419 4.320 -0.727 0.000 0.272 261 A C 1.003 178.621 177.584 0.056 0.000 1.182 261 A CA 0.765 52.833 52.037 0.051 0.000 0.819 261 A CB 0.036 19.076 19.000 0.067 0.000 1.115 261 A HN 1.266 nan 8.150 nan 0.000 0.512 262 V N 2.410 122.357 119.914 0.055 0.000 2.421 262 V HA 0.035 3.719 4.120 -0.727 0.000 0.271 262 V C 0.343 176.483 176.094 0.076 0.000 1.031 262 V CA -0.163 62.170 62.300 0.055 0.000 1.032 262 V CB -0.370 31.483 31.823 0.049 0.000 1.009 262 V HN 0.750 nan 8.190 nan 0.000 0.477 263 N N 7.094 125.839 118.700 0.074 0.000 2.483 263 N HA 0.385 4.689 4.740 -0.727 0.000 0.269 263 N C -2.320 173.264 175.510 0.123 0.000 1.209 263 N CA -1.297 51.817 53.050 0.107 0.000 0.969 263 N CB 1.058 39.605 38.487 0.101 0.000 1.173 263 N HN 0.396 nan 8.380 nan 0.000 0.475 264 P HA 0.126 nan 4.420 nan 0.000 0.285 264 P C -0.354 177.097 177.300 0.253 0.000 1.259 264 P CA -0.345 62.891 63.100 0.227 0.000 0.794 264 P CB 0.605 32.467 31.700 0.270 0.000 0.940 265 T N 0.059 114.724 114.554 0.184 0.000 2.849 265 T HA 0.468 4.383 4.350 -0.727 0.000 0.284 265 T C -0.061 174.761 174.700 0.204 0.000 1.004 265 T CA -0.606 61.568 62.100 0.122 0.000 1.021 265 T CB 1.213 70.117 68.868 0.060 0.000 1.013 265 T HN 0.302 nan 8.240 nan 0.000 0.527 266 V N 0.683 120.695 119.914 0.163 0.000 2.925 266 V HA 0.730 4.414 4.120 -0.727 0.000 0.311 266 V C -1.486 174.702 176.094 0.157 0.000 1.104 266 V CA -0.903 61.470 62.300 0.122 0.000 0.954 266 V CB 2.068 33.986 31.823 0.159 0.000 1.022 266 V HN 1.071 nan 8.190 nan 0.000 0.427 267 K N 4.879 125.324 120.400 0.075 0.000 2.422 267 K HA 0.512 4.396 4.320 -0.727 0.000 0.251 267 K C -1.851 174.762 176.600 0.023 0.000 0.933 267 K CA -0.488 55.839 56.287 0.066 0.000 0.798 267 K CB 2.723 35.268 32.500 0.075 0.000 1.238 267 K HN 0.562 nan 8.250 nan 0.000 0.428 268 F N 2.689 122.425 119.950 -0.358 0.000 2.480 268 F HA 0.606 4.697 4.527 -0.727 0.000 0.329 268 F C -1.186 174.103 175.800 -0.851 0.000 1.091 268 F CA -0.780 56.983 58.000 -0.396 0.000 0.972 268 F CB 0.735 39.609 39.000 -0.209 0.000 1.150 268 F HN 0.411 nan 8.300 nan 0.000 0.467 269 F N 2.752 121.965 119.950 -1.230 0.000 2.685 269 F HA 0.754 4.845 4.527 -0.727 0.000 0.315 269 F C -1.083 173.949 175.800 -1.280 0.000 1.126 269 F CA -1.274 56.075 58.000 -1.086 0.000 0.950 269 F CB 1.793 40.224 39.000 -0.948 0.000 1.360 269 F HN 0.150 nan 8.300 nan 0.000 0.469 270 V N 1.855 121.440 119.914 -0.549 0.000 2.668 270 V HA 0.602 4.286 4.120 -0.727 0.000 0.304 270 V C -1.382 174.725 176.094 0.021 0.000 1.071 270 V CA -0.775 61.303 62.300 -0.369 0.000 0.894 270 V CB 1.982 33.427 31.823 -0.630 0.000 1.008 270 V HN 0.647 nan 8.190 nan 0.000 0.425 271 V N 4.383 124.385 119.914 0.146 0.000 2.555 271 V HA 0.550 4.234 4.120 -0.727 0.000 0.302 271 V C -0.133 176.144 176.094 0.306 0.000 1.038 271 V CA -0.579 61.849 62.300 0.213 0.000 0.887 271 V CB 1.974 33.877 31.823 0.135 0.000 0.991 271 V HN 1.011 nan 8.190 nan 0.000 0.434 272 N N 3.270 122.140 118.700 0.283 0.000 2.415 272 N HA 0.164 4.468 4.740 -0.727 0.000 0.246 272 N C 1.284 176.789 175.510 -0.008 0.000 1.078 272 N CA 0.363 53.476 53.050 0.104 0.000 0.942 272 N CB 1.282 39.826 38.487 0.095 0.000 1.140 272 N HN 0.885 nan 8.380 nan 0.000 0.501 273 T N 0.237 114.775 114.554 -0.026 0.000 2.995 273 T HA -0.087 3.827 4.350 -0.727 0.000 0.269 273 T C 0.859 175.538 174.700 -0.035 0.000 1.091 273 T CA 0.904 63.008 62.100 0.006 0.000 1.128 273 T CB 0.029 68.997 68.868 0.166 0.000 0.891 273 T HN 0.438 nan 8.240 nan 0.000 0.492 274 D N 2.216 122.574 120.400 -0.071 0.000 2.234 274 D HA -0.015 4.189 4.640 -0.727 0.000 0.205 274 D C 1.351 177.618 176.300 -0.056 0.000 0.962 274 D CA 1.095 55.061 54.000 -0.056 0.000 0.855 274 D CB -0.120 40.632 40.800 -0.081 0.000 0.951 274 D HN 0.648 nan 8.370 nan 0.000 0.500 275 S N 0.288 115.951 115.700 -0.063 0.000 3.548 275 S HA 0.326 4.360 4.470 -0.727 0.000 0.195 275 S C 0.986 175.527 174.600 -0.098 0.000 1.432 275 S CA -0.448 57.725 58.200 -0.044 0.000 1.087 275 S CB -0.296 62.906 63.200 0.004 0.000 1.337 275 S HN 0.107 nan 8.310 nan 0.000 0.505 276 L N 0.548 121.647 121.223 -0.206 0.000 2.653 276 L HA 0.133 4.037 4.340 -0.727 0.000 0.230 276 L C 2.135 178.801 176.870 -0.340 0.000 1.055 276 L CA 0.409 54.981 54.840 -0.447 0.000 0.880 276 L CB -0.146 41.293 42.059 -1.033 0.000 1.195 276 L HN 0.544 nan 8.230 nan 0.000 0.492 277 S N -1.343 114.277 115.700 -0.134 0.000 2.522 277 S HA 0.019 4.053 4.470 -0.727 0.000 0.227 277 S C 1.730 176.383 174.600 0.089 0.000 0.986 277 S CA 0.699 58.961 58.200 0.103 0.000 0.929 277 S CB 0.166 63.454 63.200 0.147 0.000 0.769 277 S HN 0.231 nan 8.310 nan 0.000 0.529 278 S N 0.966 116.691 115.700 0.042 0.000 2.517 278 S HA 0.267 4.301 4.470 -0.727 0.000 0.228 278 S C 1.148 175.777 174.600 0.047 0.000 1.060 278 S CA 0.313 58.541 58.200 0.047 0.000 0.937 278 S CB -0.186 63.035 63.200 0.035 0.000 0.840 278 S HN 0.539 nan 8.310 nan 0.000 0.546 279 V N 1.234 121.170 119.914 0.037 0.000 3.613 279 V HA 0.527 4.211 4.120 -0.727 0.000 0.283 279 V C 1.389 177.516 176.094 0.055 0.000 1.052 279 V CA -0.202 62.122 62.300 0.040 0.000 0.937 279 V CB -0.346 31.497 31.823 0.034 0.000 1.241 279 V HN 0.470 nan 8.190 nan 0.000 0.429 280 T N -1.185 113.399 114.554 0.050 0.000 5.220 280 T HA 0.074 3.988 4.350 -0.727 0.000 0.259 280 T C 0.879 175.629 174.700 0.083 0.000 0.811 280 T CA 0.442 62.579 62.100 0.061 0.000 1.845 280 T CB -0.610 68.276 68.868 0.030 0.000 1.646 280 T HN 0.782 nan 8.240 nan 0.000 0.298 281 N N 1.558 120.290 118.700 0.053 0.000 2.381 281 N HA 0.289 4.593 4.740 -0.727 0.000 0.241 281 N C -0.229 175.341 175.510 0.101 0.000 1.279 281 N CA 0.214 53.309 53.050 0.074 0.000 0.896 281 N CB 0.675 39.095 38.487 -0.112 0.000 1.118 281 N HN 0.815 nan 8.380 nan 0.000 0.438 282 A N 0.569 123.505 122.820 0.194 0.000 2.271 282 A HA 0.472 4.356 4.320 -0.727 0.000 0.288 282 A C 0.184 177.843 177.584 0.126 0.000 1.094 282 A CA -0.367 51.749 52.037 0.133 0.000 0.828 282 A CB 0.539 19.610 19.000 0.118 0.000 1.091 282 A HN 0.672 nan 8.150 nan 0.000 0.493 283 T N -0.818 113.797 114.554 0.102 0.000 2.876 283 T HA 0.645 4.559 4.350 -0.727 0.000 0.289 283 T C -0.714 174.059 174.700 0.121 0.000 1.014 283 T CA -0.414 61.748 62.100 0.104 0.000 0.986 283 T CB 1.155 70.081 68.868 0.096 0.000 1.021 283 T HN 0.593 nan 8.240 nan 0.000 0.458 284 S N 4.171 119.941 115.700 0.118 0.000 2.596 284 S HA 0.507 4.541 4.470 -0.727 0.000 0.318 284 S C -0.138 174.592 174.600 0.217 0.000 1.097 284 S CA -0.880 57.398 58.200 0.130 0.000 1.080 284 S CB 0.535 63.745 63.200 0.017 0.000 0.991 284 S HN 0.704 nan 8.310 nan 0.000 0.471 285 I N 3.365 124.063 120.570 0.212 0.000 2.452 285 I HA 0.193 3.927 4.170 -0.727 0.000 0.287 285 I C 0.729 176.914 176.117 0.114 0.000 1.079 285 I CA -0.039 61.397 61.300 0.227 0.000 1.387 285 I CB 0.196 38.421 38.000 0.374 0.000 1.404 285 I HN 0.719 nan 8.210 nan 0.000 0.522 286 Q N 6.550 126.386 119.800 0.061 0.000 2.259 286 Q HA 0.537 4.441 4.340 -0.727 0.000 0.246 286 Q C -1.200 174.675 176.000 -0.208 0.000 0.920 286 Q CA -0.442 55.170 55.803 -0.318 0.000 0.895 286 Q CB 1.443 29.942 28.738 -0.398 0.000 1.220 286 Q HN 0.591 nan 8.270 nan 0.000 0.439 287 I N 3.239 123.648 120.570 -0.267 0.000 2.418 287 I HA 0.243 3.977 4.170 -0.727 0.000 0.287 287 I C -0.210 175.882 176.117 -0.042 0.000 1.008 287 I CA -0.807 60.463 61.300 -0.049 0.000 1.104 287 I CB 1.927 39.980 38.000 0.088 0.000 1.264 287 I HN 0.709 nan 8.210 nan 0.000 0.438 288 T N 3.041 117.537 114.554 -0.096 0.000 2.875 288 T HA 0.708 4.622 4.350 -0.727 0.000 0.284 288 T C 0.248 174.702 174.700 -0.410 0.000 0.995 288 T CA -0.709 61.267 62.100 -0.208 0.000 1.060 288 T CB 1.683 70.436 68.868 -0.193 0.000 0.967 288 T HN 0.626 nan 8.240 nan 0.000 0.476 289 A N 5.288 127.563 122.820 -0.908 0.000 2.520 289 A HA 0.478 4.362 4.320 -0.727 0.000 0.235 289 A C -1.668 175.356 177.584 -0.933 0.000 1.065 289 A CA -1.193 49.804 52.037 -1.734 0.000 0.764 289 A CB -0.718 16.741 19.000 -2.567 0.000 1.002 289 A HN 0.843 nan 8.150 nan 0.000 0.502 290 P HA 0.031 nan 4.420 nan 0.000 0.269 290 P C 0.554 177.630 177.300 -0.373 0.000 1.211 290 P CA 0.710 63.571 63.100 -0.398 0.000 0.781 290 P CB 0.606 32.154 31.700 -0.252 0.000 0.877 291 A N 1.981 124.660 122.820 -0.236 0.000 2.209 291 A HA -0.093 3.791 4.320 -0.727 0.000 0.212 291 A C 1.981 179.469 177.584 -0.160 0.000 1.158 291 A CA 1.360 53.280 52.037 -0.194 0.000 0.742 291 A CB -1.325 17.596 19.000 -0.132 0.000 0.790 291 A HN 0.628 nan 8.150 nan 0.000 0.472 292 S N -1.146 114.474 115.700 -0.132 0.000 2.555 292 S HA 0.022 4.056 4.470 -0.727 0.000 0.230 292 S C 1.569 176.113 174.600 -0.093 0.000 0.978 292 S CA 0.964 59.117 58.200 -0.078 0.000 0.934 292 S CB -0.175 63.043 63.200 0.030 0.000 0.766 292 S HN 0.460 nan 8.310 nan 0.000 0.533 293 M N 0.536 120.024 119.600 -0.186 0.000 2.730 293 M HA 0.366 4.410 4.480 -0.727 0.000 0.258 293 M C 1.799 177.934 176.300 -0.275 0.000 1.279 293 M CA 0.529 55.681 55.300 -0.246 0.000 1.183 293 M CB -1.001 31.304 32.600 -0.492 0.000 1.291 293 M HN 0.279 nan 8.290 nan 0.000 0.518 294 L N 1.460 122.487 121.223 -0.327 0.000 2.447 294 L HA -0.155 3.749 4.340 -0.727 0.000 0.225 294 L C 2.360 179.194 176.870 -0.060 0.000 1.148 294 L CA 0.775 55.503 54.840 -0.186 0.000 0.808 294 L CB -0.874 41.068 42.059 -0.195 0.000 0.928 294 L HN 0.345 nan 8.230 nan 0.000 0.448 295 I N -3.203 117.328 120.570 -0.065 0.000 2.676 295 I HA 0.103 3.837 4.170 -0.727 0.000 0.259 295 I C 1.230 177.341 176.117 -0.009 0.000 1.194 295 I CA 0.859 62.135 61.300 -0.040 0.000 1.473 295 I CB -0.383 37.583 38.000 -0.057 0.000 1.096 295 I HN 0.080 nan 8.210 nan 0.000 0.443 296 G N 0.208 109.021 108.800 0.022 0.000 3.085 296 G HA2 0.289 3.813 3.960 -0.727 0.000 0.264 296 G HA3 0.289 3.813 3.960 -0.727 0.000 0.264 296 G C -1.600 173.346 174.900 0.078 0.000 1.206 296 G CA -0.434 44.684 45.100 0.030 0.000 0.809 296 G HN 0.048 nan 8.290 nan 0.000 0.592 297 D N 0.935 121.338 120.400 0.005 0.000 2.313 297 D HA 0.471 4.675 4.640 -0.727 0.000 0.247 297 D C -0.102 176.151 176.300 -0.078 0.000 1.094 297 D CA 0.373 54.317 54.000 -0.092 0.000 0.925 297 D CB 0.991 41.701 40.800 -0.150 0.000 1.188 297 D HN 0.574 nan 8.370 nan 0.000 0.430 298 H N -1.372 117.579 119.070 -0.199 0.000 2.967 298 H HA 0.378 4.498 4.556 -0.726 0.000 0.318 298 H C -1.500 173.739 175.328 -0.147 0.000 1.375 298 H CA -0.753 55.191 56.048 -0.175 0.000 1.132 298 H CB 0.355 30.148 29.762 0.051 0.000 1.848 298 H HN 0.303 nan 8.280 nan 0.000 0.524 299 Y N 0.023 120.573 120.300 0.417 0.000 2.605 299 Y HA 0.467 4.581 4.550 -0.727 0.000 0.343 299 Y C -0.469 175.699 175.900 0.446 0.000 1.036 299 Y CA -1.232 57.104 58.100 0.393 0.000 1.065 299 Y CB 1.821 40.361 38.460 0.133 0.000 1.288 299 Y HN 0.492 nan 8.280 nan 0.000 0.481 300 L N 2.324 123.910 121.223 0.605 0.000 2.265 300 L HA 0.458 4.362 4.340 -0.727 0.000 0.289 300 L C 0.290 177.361 176.870 0.336 0.000 1.033 300 L CA -0.347 54.557 54.840 0.108 0.000 0.814 300 L CB 0.668 42.752 42.059 0.043 0.000 1.203 300 L HN 0.989 nan 8.230 nan 0.000 0.423 301 C N 1.362 120.674 119.300 0.020 0.000 3.230 301 C HA 0.499 4.523 4.460 -0.727 0.000 0.300 301 C C 0.216 175.080 174.990 -0.211 0.000 1.292 301 C CA -0.304 58.756 59.018 0.070 0.000 1.707 301 C CB -0.680 27.086 27.740 0.043 0.000 2.181 301 C HN 0.851 nan 8.230 nan 0.000 0.655 302 D N 0.044 120.170 120.400 -0.457 0.000 2.717 302 D HA 0.454 4.658 4.640 -0.727 0.000 0.223 302 D C -1.841 173.953 176.300 -0.844 0.000 1.240 302 D CA 0.029 53.673 54.000 -0.593 0.000 0.801 302 D CB 2.806 43.361 40.800 -0.408 0.000 1.556 302 D HN 0.072 nan 8.370 nan 0.000 0.462 303 V N 2.435 121.763 119.914 -0.978 0.000 2.498 303 V HA 0.354 4.039 4.120 -0.727 0.000 0.283 303 V C -0.479 175.071 176.094 -0.906 0.000 1.015 303 V CA -0.500 61.056 62.300 -1.240 0.000 0.867 303 V CB 1.558 32.057 31.823 -2.207 0.000 1.025 303 V HN 0.578 nan 8.190 nan 0.000 0.441 304 T N 3.410 117.597 114.554 -0.611 0.000 2.809 304 T HA 0.434 4.348 4.350 -0.727 0.000 0.284 304 T C -0.665 173.909 174.700 -0.211 0.000 0.992 304 T CA -0.331 61.587 62.100 -0.304 0.000 0.957 304 T CB 0.982 69.755 68.868 -0.159 0.000 0.942 304 T HN 0.528 nan 8.240 nan 0.000 0.439 305 W N 1.903 123.149 121.300 -0.090 0.000 2.238 305 W HA 0.485 4.709 4.660 -0.727 0.000 0.321 305 W C 1.008 177.474 176.519 -0.088 0.000 1.293 305 W CA -0.519 56.794 57.345 -0.053 0.000 1.204 305 W CB 0.708 30.208 29.460 0.065 0.000 1.167 305 W HN 0.813 nan 8.180 nan 0.000 0.553 306 A N 1.792 124.624 122.820 0.020 0.000 2.055 306 A HA 0.233 4.117 4.320 -0.727 0.000 0.205 306 A C 0.799 178.361 177.584 -0.038 0.000 1.235 306 A CA 1.338 53.163 52.037 -0.354 0.000 0.822 306 A CB -0.134 17.976 19.000 -1.483 0.000 0.903 306 A HN 0.535 nan 8.150 nan 0.000 0.473 307 T N -5.539 109.082 114.554 0.112 0.000 2.598 307 T HA 0.305 4.220 4.350 -0.727 0.000 0.289 307 T C 0.007 174.823 174.700 0.193 0.000 1.056 307 T CA -0.253 61.931 62.100 0.140 0.000 1.088 307 T CB 0.463 69.399 68.868 0.113 0.000 1.519 307 T HN -0.133 nan 8.240 nan 0.000 0.488 308 Q N 0.306 120.200 119.800 0.157 0.000 2.297 308 Q HA 0.192 4.096 4.340 -0.727 0.000 0.204 308 Q C 0.552 176.735 176.000 0.305 0.000 0.962 308 Q CA 1.222 57.115 55.803 0.149 0.000 0.879 308 Q CB -0.054 28.760 28.738 0.126 0.000 0.947 308 Q HN 0.837 nan 8.270 nan 0.000 0.462 309 E N -0.490 119.913 120.200 0.339 0.000 3.067 309 E HA 0.231 4.145 4.350 -0.727 0.000 0.188 309 E C -0.455 176.384 176.600 0.398 0.000 0.964 309 E CA -0.113 56.520 56.400 0.387 0.000 1.286 309 E CB 1.217 31.058 29.700 0.235 0.000 1.051 309 E HN -0.094 nan 8.360 nan 0.000 0.465 310 R N 1.596 122.361 120.500 0.442 0.000 2.575 310 R HA 0.610 4.514 4.340 -0.727 0.000 0.293 310 R C -1.634 174.801 176.300 0.225 0.000 0.983 310 R CA -0.572 55.690 56.100 0.271 0.000 0.887 310 R CB 1.601 31.929 30.300 0.046 0.000 1.184 310 R HN 0.136 nan 8.270 nan 0.000 0.445 311 I N 2.009 122.591 120.570 0.020 0.000 2.769 311 I HA 0.441 4.175 4.170 -0.727 0.000 0.298 311 I C -1.068 174.857 176.117 -0.320 0.000 1.128 311 I CA -0.461 60.640 61.300 -0.332 0.000 1.031 311 I CB 2.444 39.891 38.000 -0.922 0.000 1.235 311 I HN 0.788 nan 8.210 nan 0.000 0.423 312 S N 7.147 122.625 115.700 -0.371 0.000 2.537 312 S HA 0.806 4.840 4.470 -0.727 0.000 0.301 312 S C -0.987 173.324 174.600 -0.481 0.000 1.092 312 S CA -0.754 57.266 58.200 -0.301 0.000 1.048 312 S CB 1.920 65.021 63.200 -0.164 0.000 1.053 312 S HN 0.592 nan 8.310 nan 0.000 0.501 313 L N 1.241 122.192 121.223 -0.452 0.000 2.371 313 L HA 0.573 4.477 4.340 -0.727 0.000 0.262 313 L C -0.593 175.933 176.870 -0.572 0.000 1.006 313 L CA -0.704 53.719 54.840 -0.695 0.000 0.818 313 L CB 2.350 43.978 42.059 -0.718 0.000 1.354 313 L HN 0.698 nan 8.230 nan 0.000 0.415 314 Q N 1.455 120.812 119.800 -0.739 0.000 2.310 314 Q HA 0.372 4.276 4.340 -0.727 0.000 0.270 314 Q C -1.914 173.769 176.000 -0.529 0.000 1.025 314 Q CA -0.570 54.954 55.803 -0.464 0.000 0.772 314 Q CB 2.492 31.037 28.738 -0.322 0.000 1.253 314 Q HN 0.406 nan 8.270 nan 0.000 0.450 315 W N 3.157 124.420 121.300 -0.062 0.000 2.529 315 W HA 0.566 4.790 4.660 -0.727 0.000 0.321 315 W C -0.718 175.847 176.519 0.076 0.000 1.047 315 W CA -0.594 56.763 57.345 0.020 0.000 1.216 315 W CB 0.928 30.369 29.460 -0.031 0.000 1.357 315 W HN 0.390 nan 8.180 nan 0.000 0.489 316 L N 3.724 125.166 121.223 0.365 0.000 2.346 316 L HA 0.594 4.498 4.340 -0.727 0.000 0.276 316 L C -0.034 177.043 176.870 0.345 0.000 1.006 316 L CA -1.074 53.959 54.840 0.321 0.000 0.817 316 L CB 1.172 43.405 42.059 0.290 0.000 1.272 316 L HN 0.381 nan 8.230 nan 0.000 0.421 317 R N 2.573 123.239 120.500 0.277 0.000 2.490 317 R HA 0.248 4.152 4.340 -0.727 0.000 0.278 317 R C 0.950 177.313 176.300 0.104 0.000 1.069 317 R CA -0.375 55.830 56.100 0.174 0.000 1.080 317 R CB 0.740 31.130 30.300 0.150 0.000 1.030 317 R HN 0.630 nan 8.270 nan 0.000 0.491 318 R N 1.703 122.160 120.500 -0.072 0.000 2.204 318 R HA -0.143 3.761 4.340 -0.727 0.000 0.253 318 R C 0.443 176.803 176.300 0.100 0.000 1.172 318 R CA 1.330 57.377 56.100 -0.089 0.000 0.994 318 R CB 0.097 30.319 30.300 -0.130 0.000 0.874 318 R HN 0.423 nan 8.270 nan 0.000 0.462 319 I N 2.682 123.305 120.570 0.088 0.000 2.243 319 I HA 0.028 3.762 4.170 -0.727 0.000 0.289 319 I C 0.037 176.235 176.117 0.134 0.000 1.140 319 I CA 0.105 61.462 61.300 0.095 0.000 1.289 319 I CB 0.469 38.508 38.000 0.064 0.000 1.498 319 I HN 0.253 nan 8.210 nan 0.000 0.561 320 Q N 2.865 122.757 119.800 0.153 0.000 2.228 320 Q HA -0.170 3.734 4.340 -0.727 0.000 0.160 320 Q C 0.812 176.919 176.000 0.177 0.000 0.788 320 Q CA 0.351 56.257 55.803 0.171 0.000 1.076 320 Q CB -0.560 28.247 28.738 0.116 0.000 1.165 320 Q HN 0.637 nan 8.270 nan 0.000 0.464 321 N N -1.046 117.756 118.700 0.170 0.000 2.184 321 N HA -0.036 4.268 4.740 -0.727 0.000 0.206 321 N C -0.953 174.677 175.510 0.200 0.000 1.151 321 N CA -0.185 52.953 53.050 0.147 0.000 0.878 321 N CB 0.414 38.961 38.487 0.099 0.000 1.014 321 N HN 0.256 nan 8.380 nan 0.000 0.512 322 Y N 1.252 121.594 120.300 0.070 0.000 2.330 322 Y HA 0.554 4.668 4.550 -0.727 0.000 0.324 322 Y C -1.193 174.759 175.900 0.086 0.000 1.093 322 Y CA -1.147 56.993 58.100 0.066 0.000 1.103 322 Y CB 1.203 39.692 38.460 0.050 0.000 1.183 322 Y HN 0.151 nan 8.280 nan 0.000 0.433 323 S N 4.275 119.906 115.700 -0.115 0.000 2.634 323 S HA 0.958 4.992 4.470 -0.727 0.000 0.296 323 S C -1.692 172.799 174.600 -0.181 0.000 1.104 323 S CA -0.714 57.471 58.200 -0.025 0.000 0.920 323 S CB 2.096 65.308 63.200 0.020 0.000 1.111 323 S HN 0.481 nan 8.310 nan 0.000 0.493 324 V N 1.965 121.877 119.914 -0.003 0.000 2.962 324 V HA 0.606 4.290 4.120 -0.727 0.000 0.313 324 V C -0.768 175.369 176.094 0.071 0.000 1.099 324 V CA -0.744 61.560 62.300 0.007 0.000 0.971 324 V CB 2.109 33.980 31.823 0.080 0.000 1.028 324 V HN 1.020 nan 8.190 nan 0.000 0.430 325 M N 3.121 122.748 119.600 0.046 0.000 2.190 325 M HA 0.522 4.566 4.480 -0.727 0.000 0.312 325 M C -1.707 174.634 176.300 0.069 0.000 0.990 325 M CA -0.412 54.893 55.300 0.009 0.000 0.927 325 M CB 1.411 33.958 32.600 -0.089 0.000 1.571 325 M HN 0.631 nan 8.290 nan 0.000 0.427 326 D N 5.197 125.642 120.400 0.076 0.000 2.181 326 D HA 0.555 4.759 4.640 -0.727 0.000 0.248 326 D C -0.802 175.510 176.300 0.021 0.000 1.020 326 D CA -0.029 54.016 54.000 0.075 0.000 0.891 326 D CB 1.996 42.870 40.800 0.123 0.000 1.187 326 D HN 0.614 nan 8.370 nan 0.000 0.443 327 I N 1.868 122.467 120.570 0.048 0.000 2.410 327 I HA 0.287 4.021 4.170 -0.727 0.000 0.286 327 I C -0.586 175.562 176.117 0.052 0.000 1.009 327 I CA -0.627 60.690 61.300 0.029 0.000 1.111 327 I CB 1.476 39.536 38.000 0.100 0.000 1.262 327 I HN 0.133 nan 8.210 nan 0.000 0.443 328 c N 3.942 122.576 118.600 0.057 0.000 2.379 328 c HA 0.497 4.631 4.570 -0.727 0.000 0.323 328 c C -0.095 174.186 174.090 0.318 0.000 1.262 328 c CA -0.748 55.692 56.329 0.185 0.000 1.581 328 c CB 0.941 43.597 42.510 0.243 0.000 2.221 328 c HN 0.657 nan 8.230 nan 0.000 0.497 329 D N 0.114 120.637 120.400 0.205 0.000 2.277 329 D HA 0.347 4.551 4.640 -0.727 0.000 0.250 329 D C -0.813 175.341 176.300 -0.244 0.000 1.032 329 D CA -0.196 53.842 54.000 0.064 0.000 0.947 329 D CB 0.634 41.431 40.800 -0.005 0.000 1.159 329 D HN 0.595 nan 8.370 nan 0.000 0.460 330 Y N 1.504 121.389 120.300 -0.693 0.000 2.383 330 Y HA 0.195 4.309 4.550 -0.726 0.000 0.344 330 Y C -0.543 175.040 175.900 -0.528 0.000 0.986 330 Y CA -0.852 56.566 58.100 -1.136 0.000 1.175 330 Y CB 0.565 38.299 38.460 -1.209 0.000 1.152 330 Y HN 0.210 nan 8.280 nan 0.000 0.511 331 D N 5.248 125.086 120.400 -0.935 0.000 2.339 331 D HA 0.048 4.252 4.640 -0.727 0.000 0.241 331 D C 0.526 176.279 176.300 -0.913 0.000 1.183 331 D CA 0.196 53.789 54.000 -0.677 0.000 0.859 331 D CB 0.982 41.543 40.800 -0.398 0.000 1.067 331 D HN 0.855 nan 8.370 nan 0.000 0.484 332 E N 1.065 120.878 120.200 -0.645 0.000 2.268 332 E HA -0.121 3.793 4.350 -0.727 0.000 0.195 332 E C 1.631 178.080 176.600 -0.252 0.000 0.995 332 E CA 0.712 56.845 56.400 -0.446 0.000 0.836 332 E CB 0.362 29.955 29.700 -0.179 0.000 0.763 332 E HN 0.462 nan 8.360 nan 0.000 0.491 333 S N -0.802 114.769 115.700 -0.215 0.000 2.528 333 S HA -0.025 4.009 4.470 -0.727 0.000 0.219 333 S C 1.846 176.375 174.600 -0.118 0.000 0.985 333 S CA 0.588 58.712 58.200 -0.128 0.000 0.914 333 S CB 0.449 63.592 63.200 -0.095 0.000 0.776 333 S HN 0.191 nan 8.310 nan 0.000 0.526 334 S N 0.190 115.788 115.700 -0.169 0.000 2.524 334 S HA 0.488 4.522 4.470 -0.727 0.000 0.222 334 S C 1.660 176.197 174.600 -0.104 0.000 1.040 334 S CA 0.607 58.737 58.200 -0.118 0.000 0.915 334 S CB -0.273 62.857 63.200 -0.116 0.000 0.831 334 S HN 1.289 nan 8.310 nan 0.000 0.492 335 G N 1.732 110.412 108.800 -0.201 0.000 2.162 335 G HA2 -0.258 3.266 3.960 -0.727 0.000 0.260 335 G HA3 -0.258 3.266 3.960 -0.727 0.000 0.260 335 G C 0.118 175.044 174.900 0.043 0.000 0.976 335 G CA 0.429 45.490 45.100 -0.065 0.000 0.655 335 G HN 0.675 nan 8.290 nan 0.000 0.533 336 R N -1.817 118.624 120.500 -0.097 0.000 2.923 336 R HA 0.621 4.525 4.340 -0.727 0.000 0.252 336 R C -0.920 175.309 176.300 -0.119 0.000 1.130 336 R CA -1.008 55.108 56.100 0.027 0.000 1.043 336 R CB 0.834 31.162 30.300 0.047 0.000 1.205 336 R HN 0.103 nan 8.270 nan 0.000 0.495 337 W N 1.126 122.451 121.300 0.042 0.000 2.308 337 W HA 0.339 4.564 4.660 -0.725 0.000 0.311 337 W C -0.287 176.225 176.519 -0.012 0.000 1.088 337 W CA -0.262 57.098 57.345 0.026 0.000 1.309 337 W CB 0.475 29.937 29.460 0.004 0.000 1.229 337 W HN 0.359 nan 8.180 nan 0.000 0.427 338 N N 2.836 121.580 118.700 0.073 0.000 2.434 338 N HA 0.425 4.729 4.740 -0.727 0.000 0.272 338 N C -1.209 174.346 175.510 0.075 0.000 1.040 338 N CA -0.560 52.515 53.050 0.041 0.000 0.956 338 N CB 0.805 39.274 38.487 -0.030 0.000 1.108 338 N HN 0.195 nan 8.380 nan 0.000 0.481 339 c N 3.417 122.054 118.600 0.061 0.000 2.362 339 c HA 0.298 4.432 4.570 -0.727 0.000 0.309 339 c C 0.487 174.591 174.090 0.023 0.000 1.110 339 c CA -1.078 55.284 56.329 0.055 0.000 1.485 339 c CB -0.988 41.557 42.510 0.059 0.000 1.949 339 c HN 0.659 nan 8.230 nan 0.000 0.419 340 L N 2.816 124.052 121.223 0.022 0.000 2.584 340 L HA -0.001 3.903 4.340 -0.727 0.000 0.272 340 L C 1.717 178.585 176.870 -0.003 0.000 1.195 340 L CA 0.367 55.211 54.840 0.006 0.000 0.920 340 L CB 0.939 43.005 42.059 0.011 0.000 1.173 340 L HN 0.756 nan 8.230 nan 0.000 0.489 341 V N 3.695 123.598 119.914 -0.018 0.000 2.982 341 V HA -0.206 3.479 4.120 -0.727 0.000 0.265 341 V C 1.946 178.012 176.094 -0.047 0.000 1.122 341 V CA 1.989 64.270 62.300 -0.032 0.000 1.143 341 V CB -0.145 31.657 31.823 -0.035 0.000 0.726 341 V HN 0.911 nan 8.190 nan 0.000 0.507 342 A N 0.148 122.946 122.820 -0.037 0.000 2.208 342 A HA 0.197 4.082 4.320 -0.727 0.000 0.209 342 A C 1.969 179.519 177.584 -0.058 0.000 1.161 342 A CA 0.513 52.522 52.037 -0.047 0.000 0.782 342 A CB -0.295 18.690 19.000 -0.024 0.000 0.816 342 A HN 0.621 nan 8.150 nan 0.000 0.477 343 R N -0.205 120.276 120.500 -0.031 0.000 2.767 343 R HA 0.230 4.134 4.340 -0.727 0.000 0.377 343 R C -0.373 175.918 176.300 -0.016 0.000 1.151 343 R CA -0.058 56.058 56.100 0.027 0.000 1.046 343 R CB 0.311 30.673 30.300 0.103 0.000 1.404 343 R HN 0.460 nan 8.270 nan 0.000 0.580 344 Q N 0.339 120.034 119.800 -0.174 0.000 2.316 344 Q HA 0.263 4.167 4.340 -0.727 0.000 0.264 344 Q C -1.227 174.574 176.000 -0.330 0.000 0.987 344 Q CA -0.662 55.063 55.803 -0.130 0.000 0.852 344 Q CB 1.389 30.081 28.738 -0.076 0.000 1.287 344 Q HN 0.315 nan 8.270 nan 0.000 0.448 345 H N 2.015 121.110 119.070 0.041 0.000 2.538 345 H HA 0.465 4.585 4.556 -0.727 0.000 0.353 345 H C -0.679 174.633 175.328 -0.026 0.000 1.109 345 H CA -0.457 55.620 56.048 0.049 0.000 1.192 345 H CB 1.427 31.246 29.762 0.096 0.000 1.555 345 H HN 0.475 nan 8.280 nan 0.000 0.518 346 I N 1.733 122.334 120.570 0.052 0.000 2.498 346 I HA 0.287 4.022 4.170 -0.727 0.000 0.301 346 I C -0.145 175.921 176.117 -0.084 0.000 0.984 346 I CA -0.335 60.888 61.300 -0.130 0.000 1.204 346 I CB 1.556 39.444 38.000 -0.187 0.000 1.362 346 I HN 0.603 nan 8.210 nan 0.000 0.471 347 E N 7.608 127.689 120.200 -0.198 0.000 2.317 347 E HA 0.440 4.354 4.350 -0.727 0.000 0.270 347 E C -1.477 175.045 176.600 -0.130 0.000 0.899 347 E CA -0.572 55.776 56.400 -0.087 0.000 0.814 347 E CB 1.422 31.104 29.700 -0.031 0.000 1.296 347 E HN 0.632 nan 8.360 nan 0.000 0.404 348 M N 1.188 120.752 119.600 -0.060 0.000 2.667 348 M HA 0.682 4.726 4.480 -0.727 0.000 0.286 348 M C -1.124 175.196 176.300 0.033 0.000 1.270 348 M CA -0.931 54.374 55.300 0.009 0.000 0.826 348 M CB 2.280 34.941 32.600 0.100 0.000 1.743 348 M HN 0.233 nan 8.290 nan 0.000 0.460 349 S N -0.421 115.301 115.700 0.037 0.000 2.536 349 S HA 0.551 4.585 4.470 -0.727 0.000 0.287 349 S C 0.160 174.759 174.600 -0.002 0.000 1.101 349 S CA 0.110 58.310 58.200 -0.001 0.000 0.950 349 S CB 1.866 65.025 63.200 -0.067 0.000 1.056 349 S HN 0.955 nan 8.310 nan 0.000 0.481 350 T N 0.053 114.605 114.554 -0.003 0.000 3.040 350 T HA 0.107 4.021 4.350 -0.727 0.000 0.250 350 T C 1.326 176.011 174.700 -0.025 0.000 1.058 350 T CA 0.871 62.971 62.100 0.000 0.000 0.988 350 T CB -0.346 68.531 68.868 0.015 0.000 0.993 350 T HN 0.687 nan 8.240 nan 0.000 0.519 351 T N -2.594 111.929 114.554 -0.053 0.000 3.015 351 T HA 0.612 4.526 4.350 -0.727 0.000 0.250 351 T C 1.260 175.804 174.700 -0.259 0.000 1.057 351 T CA 0.467 62.527 62.100 -0.067 0.000 1.066 351 T CB 0.431 69.333 68.868 0.056 0.000 0.959 351 T HN 0.560 nan 8.240 nan 0.000 0.488 352 G N 0.399 108.909 108.800 -0.483 0.000 3.046 352 G HA2 0.477 4.001 3.960 -0.727 0.000 0.137 352 G HA3 0.477 4.001 3.960 -0.727 0.000 0.137 352 G C -1.451 173.245 174.900 -0.340 0.000 1.207 352 G CA -0.379 44.322 45.100 -0.665 0.000 1.218 352 G HN 0.501 nan 8.290 nan 0.000 0.625 353 W N -0.129 120.958 121.300 -0.354 0.000 2.615 353 W HA 0.791 5.017 4.660 -0.724 0.000 0.423 353 W C -0.666 175.812 176.519 -0.068 0.000 1.666 353 W CA -1.316 55.934 57.345 -0.158 0.000 1.717 353 W CB 0.656 30.015 29.460 -0.167 0.000 1.696 353 W HN 0.284 nan 8.180 nan 0.000 0.701 354 V N 2.673 122.737 119.914 0.250 0.000 2.357 354 V HA 0.751 4.435 4.120 -0.727 0.000 0.284 354 V C 0.548 176.779 176.094 0.229 0.000 1.018 354 V CA 0.134 62.517 62.300 0.138 0.000 0.841 354 V CB 0.017 31.904 31.823 0.106 0.000 0.991 354 V HN 1.330 nan 8.190 nan 0.000 0.437 355 G N 4.979 113.863 108.800 0.140 0.000 2.707 355 G HA2 -0.161 3.363 3.960 -0.727 0.000 0.686 355 G HA3 -0.161 3.363 3.960 -0.727 0.000 0.686 355 G C 0.206 175.262 174.900 0.259 0.000 1.315 355 G CA 0.069 45.265 45.100 0.160 0.000 0.832 355 G HN 0.636 nan 8.290 nan 0.000 0.573 356 R N -0.708 119.880 120.500 0.147 0.000 2.070 356 R HA 0.100 4.004 4.340 -0.727 0.000 0.233 356 R C 2.012 178.154 176.300 -0.264 0.000 1.137 356 R CA 2.406 58.501 56.100 -0.009 0.000 0.945 356 R CB -0.143 30.143 30.300 -0.024 0.000 0.845 356 R HN 0.476 nan 8.270 nan 0.000 0.430 357 F N -1.347 118.723 119.950 0.199 0.000 2.729 357 F HA 0.258 4.350 4.527 -0.726 0.000 0.304 357 F C 0.227 176.039 175.800 0.020 0.000 1.008 357 F CA -0.402 57.630 58.000 0.053 0.000 1.188 357 F CB 0.666 39.698 39.000 0.052 0.000 0.980 357 F HN -0.138 nan 8.300 nan 0.000 0.627 358 R N -0.668 119.964 120.500 0.220 0.000 2.680 358 R HA 0.498 4.402 4.340 -0.727 0.000 0.269 358 R C -3.258 173.109 176.300 0.112 0.000 1.026 358 R CA -2.043 54.137 56.100 0.134 0.000 0.889 358 R CB 0.480 30.838 30.300 0.097 0.000 1.241 358 R HN -0.332 nan 8.270 nan 0.000 0.463 359 P HA -0.086 nan 4.420 nan 0.000 0.261 359 P C -0.208 177.101 177.300 0.014 0.000 1.173 359 P CA 0.456 63.577 63.100 0.036 0.000 0.760 359 P CB 0.600 32.298 31.700 -0.004 0.000 0.783 360 S N 2.350 118.066 115.700 0.028 0.000 2.580 360 S HA 0.159 4.193 4.470 -0.727 0.000 0.266 360 S C 0.232 174.814 174.600 -0.030 0.000 1.354 360 S CA -0.612 57.608 58.200 0.032 0.000 1.008 360 S CB 0.457 63.696 63.200 0.065 0.000 0.898 360 S HN 0.530 nan 8.310 nan 0.000 0.555 361 E N 0.746 120.935 120.200 -0.018 0.000 2.250 361 E HA 0.546 4.460 4.350 -0.727 0.000 0.269 361 E C -2.951 173.597 176.600 -0.088 0.000 1.018 361 E CA -2.380 53.958 56.400 -0.105 0.000 0.873 361 E CB 0.740 30.364 29.700 -0.126 0.000 1.134 361 E HN 0.463 nan 8.360 nan 0.000 0.403 362 P HA 0.337 nan 4.420 nan 0.000 0.285 362 P C -0.817 176.316 177.300 -0.278 0.000 1.269 362 P CA -0.501 62.425 63.100 -0.289 0.000 0.844 362 P CB 1.158 32.331 31.700 -0.879 0.000 1.094 363 H N 1.111 120.128 119.070 -0.088 0.000 2.970 363 H HA 0.301 4.421 4.556 -0.727 0.000 0.315 363 H C -0.387 175.017 175.328 0.127 0.000 0.992 363 H CA -0.255 55.843 56.048 0.084 0.000 1.363 363 H CB 0.436 30.279 29.762 0.135 0.000 1.532 363 H HN 0.290 nan 8.280 nan 0.000 0.514 364 F N 1.556 121.692 119.950 0.309 0.000 2.380 364 F HA 0.124 4.215 4.527 -0.727 0.000 0.325 364 F C 1.586 177.578 175.800 0.320 0.000 1.136 364 F CA -0.395 57.805 58.000 0.333 0.000 1.171 364 F CB 0.958 40.094 39.000 0.227 0.000 1.230 364 F HN 0.333 nan 8.300 nan 0.000 0.554 365 T N -0.090 114.772 114.554 0.513 0.000 2.899 365 T HA 0.223 4.137 4.350 -0.727 0.000 0.284 365 T C 1.052 175.940 174.700 0.313 0.000 1.004 365 T CA -0.809 61.519 62.100 0.379 0.000 1.043 365 T CB 1.065 70.142 68.868 0.349 0.000 1.013 365 T HN 0.572 nan 8.240 nan 0.000 0.518 366 L N 1.521 122.884 121.223 0.233 0.000 2.011 366 L HA -0.200 3.704 4.340 -0.727 0.000 0.225 366 L C 2.089 179.064 176.870 0.175 0.000 1.084 366 L CA 2.665 57.615 54.840 0.185 0.000 0.791 366 L CB -1.002 41.143 42.059 0.143 0.000 0.898 366 L HN 0.991 nan 8.230 nan 0.000 0.440 367 D N -0.807 119.695 120.400 0.170 0.000 2.379 367 D HA 0.026 4.230 4.640 -0.727 0.000 0.243 367 D C 1.506 177.903 176.300 0.163 0.000 1.088 367 D CA 0.700 54.789 54.000 0.147 0.000 0.925 367 D CB -1.120 39.758 40.800 0.131 0.000 0.888 367 D HN 0.522 nan 8.370 nan 0.000 0.529 368 G N 0.827 109.751 108.800 0.207 0.000 2.352 368 G HA2 -0.386 3.138 3.960 -0.727 0.000 0.295 368 G HA3 -0.386 3.138 3.960 -0.727 0.000 0.295 368 G C 0.864 175.919 174.900 0.257 0.000 0.991 368 G CA 0.606 45.823 45.100 0.195 0.000 0.796 368 G HN 0.420 nan 8.290 nan 0.000 0.511 369 N N -0.277 118.590 118.700 0.277 0.000 2.280 369 N HA 0.192 4.496 4.740 -0.727 0.000 0.192 369 N C 0.716 176.391 175.510 0.275 0.000 1.109 369 N CA 0.989 54.184 53.050 0.242 0.000 0.855 369 N CB 0.630 39.210 38.487 0.155 0.000 0.974 369 N HN 0.867 nan 8.380 nan 0.000 0.482 370 S N -0.386 115.538 115.700 0.372 0.000 2.537 370 S HA 0.666 4.700 4.470 -0.727 0.000 0.271 370 S C -0.959 173.814 174.600 0.288 0.000 1.148 370 S CA -1.031 57.298 58.200 0.214 0.000 0.868 370 S CB 0.964 64.207 63.200 0.073 0.000 1.115 370 S HN 0.108 nan 8.310 nan 0.000 0.461 371 F N -0.758 119.123 119.950 -0.114 0.000 2.650 371 F HA 0.910 5.002 4.527 -0.726 0.000 0.320 371 F C -1.796 173.829 175.800 -0.292 0.000 1.091 371 F CA -1.538 56.267 58.000 -0.325 0.000 0.962 371 F CB 0.717 39.086 39.000 -1.051 0.000 1.363 371 F HN 0.582 nan 8.300 nan 0.000 0.482 372 Y N 0.651 121.065 120.300 0.191 0.000 2.429 372 Y HA 0.670 4.784 4.550 -0.727 0.000 0.342 372 Y C -0.346 175.677 175.900 0.205 0.000 1.004 372 Y CA -1.037 57.158 58.100 0.159 0.000 1.075 372 Y CB 2.225 40.712 38.460 0.046 0.000 1.214 372 Y HN 0.684 nan 8.280 nan 0.000 0.455 373 K N 2.949 123.544 120.400 0.325 0.000 2.543 373 K HA 0.496 4.380 4.320 -0.727 0.000 0.255 373 K C -1.698 175.028 176.600 0.209 0.000 0.934 373 K CA -0.515 55.902 56.287 0.216 0.000 0.810 373 K CB 1.635 34.189 32.500 0.090 0.000 1.315 373 K HN 0.727 nan 8.250 nan 0.000 0.433 374 I N 6.428 127.086 120.570 0.146 0.000 2.471 374 I HA 0.240 3.974 4.170 -0.727 0.000 0.286 374 I C 0.428 176.620 176.117 0.125 0.000 1.079 374 I CA -0.225 61.142 61.300 0.113 0.000 1.398 374 I CB 0.327 38.361 38.000 0.058 0.000 1.403 374 I HN 0.523 nan 8.210 nan 0.000 0.530 375 I N 1.946 122.617 120.570 0.167 0.000 3.279 375 I HA 0.487 4.221 4.170 -0.727 0.000 0.315 375 I C -0.492 175.681 176.117 0.093 0.000 1.187 375 I CA -0.802 60.597 61.300 0.164 0.000 0.953 375 I CB 2.246 40.412 38.000 0.276 0.000 1.279 375 I HN 0.361 nan 8.210 nan 0.000 0.465 376 S N 2.657 118.391 115.700 0.056 0.000 2.411 376 S HA 0.301 4.335 4.470 -0.727 0.000 0.294 376 S C 0.019 174.634 174.600 0.025 0.000 1.115 376 S CA -0.626 57.553 58.200 -0.034 0.000 1.071 376 S CB -0.537 62.608 63.200 -0.092 0.000 0.967 376 S HN 0.799 nan 8.310 nan 0.000 0.488 377 N N 4.582 123.202 118.700 -0.133 0.000 2.250 377 N HA 0.029 4.333 4.740 -0.727 0.000 0.256 377 N C 0.857 176.376 175.510 0.015 0.000 1.302 377 N CA 0.030 52.991 53.050 -0.149 0.000 0.894 377 N CB 0.070 38.164 38.487 -0.655 0.000 1.067 377 N HN 0.511 nan 8.380 nan 0.000 0.487 378 E N -0.769 119.459 120.200 0.047 0.000 2.204 378 E HA -0.117 3.797 4.350 -0.727 0.000 0.194 378 E C 1.221 177.824 176.600 0.004 0.000 0.989 378 E CA 0.855 57.277 56.400 0.036 0.000 0.824 378 E CB -0.170 29.555 29.700 0.041 0.000 0.756 378 E HN 0.598 nan 8.360 nan 0.000 0.477 379 E N -0.398 119.800 120.200 -0.003 0.000 2.158 379 E HA -0.035 3.879 4.350 -0.727 0.000 0.191 379 E C 1.226 177.868 176.600 0.071 0.000 0.982 379 E CA 0.978 57.408 56.400 0.050 0.000 0.823 379 E CB 0.357 30.098 29.700 0.068 0.000 0.766 379 E HN 0.394 nan 8.360 nan 0.000 0.468 380 G N 0.113 108.919 108.800 0.009 0.000 2.175 380 G HA2 -0.197 3.327 3.960 -0.727 0.000 0.182 380 G HA3 -0.197 3.327 3.960 -0.727 0.000 0.182 380 G C -0.387 174.328 174.900 -0.307 0.000 1.003 380 G CA -0.285 44.717 45.100 -0.164 0.000 0.666 380 G HN 0.092 nan 8.290 nan 0.000 0.506 381 Y N 0.409 120.583 120.300 -0.211 0.000 2.361 381 Y HA 0.738 4.853 4.550 -0.726 0.000 0.332 381 Y C 0.988 176.705 175.900 -0.305 0.000 1.101 381 Y CA -1.097 56.852 58.100 -0.252 0.000 1.137 381 Y CB 0.974 39.305 38.460 -0.214 0.000 1.207 381 Y HN 0.063 nan 8.280 nan 0.000 0.463 382 R N 3.336 123.657 120.500 -0.297 0.000 2.370 382 R HA 0.253 4.157 4.340 -0.727 0.000 0.309 382 R C -0.786 175.141 176.300 -0.621 0.000 1.059 382 R CA 0.258 56.170 56.100 -0.314 0.000 0.981 382 R CB -0.126 30.055 30.300 -0.197 0.000 0.972 382 R HN 0.631 nan 8.270 nan 0.000 0.437 383 H N 1.823 120.717 119.070 -0.294 0.000 2.985 383 H HA 0.312 4.432 4.556 -0.726 0.000 0.360 383 H C -0.274 174.993 175.328 -0.101 0.000 1.221 383 H CA -0.916 54.919 56.048 -0.356 0.000 1.121 383 H CB 1.595 30.953 29.762 -0.674 0.000 1.854 383 H HN 0.329 nan 8.280 nan 0.000 0.551 384 I N 1.785 122.375 120.570 0.034 0.000 2.406 384 I HA 0.017 3.752 4.170 -0.727 0.000 0.293 384 I C 0.641 176.911 176.117 0.254 0.000 1.101 384 I CA 0.181 61.539 61.300 0.097 0.000 1.334 384 I CB -0.061 37.888 38.000 -0.084 0.000 1.421 384 I HN 0.154 nan 8.210 nan 0.000 0.513 385 c N 7.436 126.245 118.600 0.349 0.000 2.351 385 c HA 0.415 4.549 4.570 -0.727 0.000 0.359 385 c C -0.160 173.988 174.090 0.097 0.000 1.193 385 c CA -0.355 56.064 56.329 0.149 0.000 2.270 385 c CB 1.106 43.556 42.510 -0.100 0.000 2.369 385 c HN 0.611 nan 8.230 nan 0.000 0.553 386 Y N 3.135 123.221 120.300 -0.357 0.000 2.328 386 Y HA 0.642 4.756 4.550 -0.727 0.000 0.337 386 Y C -0.927 174.547 175.900 -0.710 0.000 1.008 386 Y CA -1.279 56.518 58.100 -0.505 0.000 1.129 386 Y CB 0.477 38.708 38.460 -0.381 0.000 1.185 386 Y HN 0.626 nan 8.280 nan 0.000 0.476 387 F N 3.713 123.096 119.950 -0.945 0.000 2.532 387 F HA 0.411 4.502 4.527 -0.726 0.000 0.321 387 F C -0.303 174.855 175.800 -1.071 0.000 1.089 387 F CA -1.004 56.280 58.000 -1.193 0.000 0.926 387 F CB 1.881 39.665 39.000 -2.026 0.000 1.168 387 F HN 0.262 nan 8.300 nan 0.000 0.459 388 Q N 3.175 122.664 119.800 -0.519 0.000 2.347 388 Q HA 0.319 4.223 4.340 -0.727 0.000 0.262 388 Q C 0.993 176.997 176.000 0.008 0.000 0.980 388 Q CA -0.280 55.354 55.803 -0.282 0.000 0.867 388 Q CB 1.282 29.862 28.738 -0.263 0.000 1.242 388 Q HN 0.743 nan 8.270 nan 0.000 0.453 389 I N 0.391 121.062 120.570 0.168 0.000 2.367 389 I HA -0.266 3.468 4.170 -0.727 0.000 0.256 389 I C 0.478 176.828 176.117 0.389 0.000 1.132 389 I CA 2.026 63.583 61.300 0.429 0.000 1.397 389 I CB 0.073 38.319 38.000 0.411 0.000 1.074 389 I HN 0.490 nan 8.210 nan 0.000 0.435 390 D N 0.655 121.170 120.400 0.193 0.000 2.462 390 D HA 0.179 4.383 4.640 -0.727 0.000 0.221 390 D C -0.043 176.288 176.300 0.053 0.000 1.173 390 D CA -0.265 53.798 54.000 0.105 0.000 0.831 390 D CB 0.080 40.916 40.800 0.060 0.000 1.001 390 D HN 0.476 nan 8.370 nan 0.000 0.499 391 K N 0.411 120.864 120.400 0.088 0.000 2.324 391 K HA 0.314 4.198 4.320 -0.727 0.000 0.253 391 K C 0.610 177.262 176.600 0.088 0.000 0.932 391 K CA -0.871 55.424 56.287 0.013 0.000 0.799 391 K CB 2.329 34.783 32.500 -0.077 0.000 1.154 391 K HN -0.333 nan 8.250 nan 0.000 0.425 392 K N 0.691 121.096 120.400 0.008 0.000 2.243 392 K HA 0.045 3.930 4.320 -0.727 0.000 0.201 392 K C -0.148 176.433 176.600 -0.031 0.000 1.051 392 K CA 0.943 57.256 56.287 0.045 0.000 0.970 392 K CB 0.114 32.603 32.500 -0.017 0.000 0.755 392 K HN 0.584 nan 8.250 nan 0.000 0.465 393 D N 1.154 121.463 120.400 -0.152 0.000 2.264 393 D HA 0.072 4.276 4.640 -0.727 0.000 0.250 393 D C 0.455 176.456 176.300 -0.498 0.000 1.113 393 D CA -0.270 53.564 54.000 -0.277 0.000 0.871 393 D CB 1.149 41.814 40.800 -0.225 0.000 1.167 393 D HN 0.154 nan 8.370 nan 0.000 0.447 394 c N 0.557 118.687 118.600 -0.783 0.000 2.423 394 c HA 0.840 4.974 4.570 -0.727 0.000 0.378 394 c C 0.235 173.854 174.090 -0.786 0.000 1.244 394 c CA -0.510 55.134 56.329 -1.143 0.000 1.978 394 c CB 1.278 42.466 42.510 -2.203 0.000 2.252 394 c HN 0.468 nan 8.230 nan 0.000 0.526 395 T N 1.595 115.766 114.554 -0.637 0.000 2.841 395 T HA 0.539 4.453 4.350 -0.727 0.000 0.285 395 T C -0.813 173.674 174.700 -0.355 0.000 0.991 395 T CA 0.110 61.962 62.100 -0.413 0.000 0.966 395 T CB 0.464 69.245 68.868 -0.145 0.000 0.962 395 T HN 0.478 nan 8.240 nan 0.000 0.438 396 F N 3.111 122.961 119.950 -0.166 0.000 2.471 396 F HA 0.308 4.399 4.527 -0.727 0.000 0.353 396 F C 1.633 177.285 175.800 -0.247 0.000 1.113 396 F CA -1.135 56.753 58.000 -0.187 0.000 1.262 396 F CB 0.389 39.268 39.000 -0.202 0.000 1.146 396 F HN 0.544 nan 8.300 nan 0.000 0.578 397 I N -1.101 119.396 120.570 -0.122 0.000 4.082 397 I HA 0.276 4.010 4.170 -0.727 0.000 0.337 397 I C 0.072 176.041 176.117 -0.247 0.000 1.352 397 I CA 0.101 61.137 61.300 -0.441 0.000 1.097 397 I CB 0.201 37.637 38.000 -0.940 0.000 1.048 397 I HN 0.506 nan 8.210 nan 0.000 0.393 398 T N 0.007 114.439 114.554 -0.205 0.000 2.894 398 T HA 0.692 4.606 4.350 -0.727 0.000 0.309 398 T C -0.830 173.485 174.700 -0.642 0.000 1.208 398 T CA -0.592 61.365 62.100 -0.239 0.000 1.016 398 T CB 2.856 71.627 68.868 -0.162 0.000 1.192 398 T HN 0.524 nan 8.240 nan 0.000 0.491 399 K N 0.336 120.265 120.400 -0.784 0.000 2.614 399 K HA 0.847 4.731 4.320 -0.727 0.000 0.293 399 K C -0.043 176.005 176.600 -0.919 0.000 1.045 399 K CA -0.691 54.838 56.287 -1.263 0.000 0.880 399 K CB 1.056 33.153 32.500 -0.671 0.000 1.552 399 K HN 1.684 nan 8.250 nan 0.000 0.404 400 G N -0.247 108.067 108.800 -0.810 0.000 2.298 400 G HA2 0.053 3.577 3.960 -0.727 0.000 0.309 400 G HA3 0.053 3.577 3.960 -0.727 0.000 0.309 400 G C -0.897 173.553 174.900 -0.748 0.000 1.279 400 G CA -0.282 44.502 45.100 -0.528 0.000 1.042 400 G HN 1.174 nan 8.290 nan 0.000 0.480 401 T N -1.163 113.091 114.554 -0.499 0.000 3.326 401 T HA 0.620 4.534 4.350 -0.727 0.000 0.274 401 T C 0.039 174.697 174.700 -0.071 0.000 1.608 401 T CA 0.496 62.164 62.100 -0.719 0.000 1.433 401 T CB -0.720 67.926 68.868 -0.371 0.000 1.034 401 T HN 1.577 nan 8.240 nan 0.000 0.694 402 W N -0.229 121.017 121.300 -0.091 0.000 2.874 402 W HA 0.700 4.924 4.660 -0.727 0.000 0.403 402 W C -1.606 174.952 176.519 0.065 0.000 1.144 402 W CA -1.006 56.373 57.345 0.056 0.000 1.175 402 W CB 0.646 30.097 29.460 -0.015 0.000 1.483 402 W HN 0.167 nan 8.180 nan 0.000 0.591 403 E N 0.753 121.138 120.200 0.308 0.000 2.340 403 E HA 0.417 4.331 4.350 -0.727 0.000 0.273 403 E C -1.320 175.361 176.600 0.135 0.000 0.891 403 E CA -1.082 55.258 56.400 -0.101 0.000 0.757 403 E CB 3.522 33.200 29.700 -0.037 0.000 1.231 403 E HN 0.145 nan 8.360 nan 0.000 0.439 404 V N 4.126 123.958 119.914 -0.137 0.000 2.530 404 V HA 0.006 3.690 4.120 -0.727 0.000 0.282 404 V C 1.158 177.302 176.094 0.083 0.000 1.048 404 V CA 0.044 62.424 62.300 0.133 0.000 0.997 404 V CB 0.677 32.464 31.823 -0.061 0.000 0.987 404 V HN 0.689 nan 8.190 nan 0.000 0.477 405 I N 3.507 124.159 120.570 0.137 0.000 2.188 405 I HA 0.212 3.946 4.170 -0.727 0.000 0.237 405 I C 1.167 177.343 176.117 0.099 0.000 1.073 405 I CA 1.450 62.786 61.300 0.060 0.000 1.359 405 I CB -0.905 37.080 38.000 -0.024 0.000 1.083 405 I HN 0.731 nan 8.210 nan 0.000 0.412 406 G N -0.066 108.813 108.800 0.131 0.000 2.660 406 G HA2 0.609 4.133 3.960 -0.727 0.000 0.290 406 G HA3 0.609 4.133 3.960 -0.727 0.000 0.290 406 G C -1.344 173.634 174.900 0.129 0.000 1.432 406 G CA -0.494 44.682 45.100 0.127 0.000 0.807 406 G HN -0.020 nan 8.290 nan 0.000 0.485 407 I N 0.865 121.460 120.570 0.041 0.000 2.385 407 I HA 0.317 4.051 4.170 -0.727 0.000 0.294 407 I C 0.499 176.541 176.117 -0.126 0.000 0.988 407 I CA -0.629 60.606 61.300 -0.108 0.000 1.265 407 I CB 2.068 39.798 38.000 -0.450 0.000 1.388 407 I HN 0.468 nan 8.210 nan 0.000 0.480 408 E N 4.325 124.477 120.200 -0.080 0.000 2.372 408 E HA 0.379 4.293 4.350 -0.727 0.000 0.201 408 E C -0.070 176.370 176.600 -0.268 0.000 0.938 408 E CA 0.143 56.515 56.400 -0.048 0.000 0.944 408 E CB 1.100 30.877 29.700 0.128 0.000 0.937 408 E HN 0.671 nan 8.360 nan 0.000 0.495 409 A N 0.568 123.146 122.820 -0.403 0.000 2.583 409 A HA 0.566 4.450 4.320 -0.727 0.000 0.292 409 A C -2.114 175.343 177.584 -0.211 0.000 1.045 409 A CA -0.676 51.087 52.037 -0.457 0.000 0.672 409 A CB 1.063 19.337 19.000 -1.208 0.000 1.283 409 A HN 0.024 nan 8.150 nan 0.000 0.419 410 L N 1.715 122.887 121.223 -0.085 0.000 2.504 410 L HA 0.711 4.615 4.340 -0.727 0.000 0.265 410 L C 0.183 177.082 176.870 0.049 0.000 0.975 410 L CA 0.426 55.260 54.840 -0.010 0.000 0.864 410 L CB 1.510 43.584 42.059 0.026 0.000 1.212 410 L HN 1.144 nan 8.230 nan 0.000 0.416 411 T N -0.082 114.526 114.554 0.090 0.000 2.910 411 T HA 0.404 4.319 4.350 -0.727 0.000 0.279 411 T C 1.186 175.942 174.700 0.093 0.000 0.989 411 T CA 0.004 62.171 62.100 0.111 0.000 0.968 411 T CB 1.089 70.061 68.868 0.174 0.000 1.135 411 T HN 0.601 nan 8.240 nan 0.000 0.562 412 S N -0.693 115.064 115.700 0.095 0.000 2.474 412 S HA -0.077 3.957 4.470 -0.727 0.000 0.235 412 S C 0.823 175.440 174.600 0.028 0.000 0.997 412 S CA 0.850 59.093 58.200 0.072 0.000 0.949 412 S CB -0.416 62.828 63.200 0.073 0.000 0.766 412 S HN 0.723 nan 8.310 nan 0.000 0.517 413 D N -1.044 119.381 120.400 0.042 0.000 2.514 413 D HA 0.241 4.445 4.640 -0.727 0.000 0.249 413 D C -0.435 175.626 176.300 -0.399 0.000 1.036 413 D CA 0.522 54.456 54.000 -0.110 0.000 0.911 413 D CB 0.389 41.224 40.800 0.058 0.000 1.145 413 D HN 0.374 nan 8.370 nan 0.000 0.495 414 Y N 0.156 120.414 120.300 -0.069 0.000 2.602 414 Y HA 0.555 4.669 4.550 -0.727 0.000 0.342 414 Y C -0.361 175.400 175.900 -0.232 0.000 1.029 414 Y CA -0.969 57.001 58.100 -0.216 0.000 1.080 414 Y CB 2.162 40.373 38.460 -0.414 0.000 1.284 414 Y HN -0.256 nan 8.280 nan 0.000 0.485 415 L N 0.943 122.045 121.223 -0.203 0.000 2.370 415 L HA 0.669 4.573 4.340 -0.727 0.000 0.266 415 L C -2.078 174.683 176.870 -0.181 0.000 1.002 415 L CA -0.666 54.059 54.840 -0.191 0.000 0.818 415 L CB 1.745 43.567 42.059 -0.395 0.000 1.325 415 L HN 0.601 nan 8.230 nan 0.000 0.418 416 Y N 3.596 123.828 120.300 -0.114 0.000 2.409 416 Y HA 0.586 4.700 4.550 -0.727 0.000 0.343 416 Y C -0.679 175.242 175.900 0.036 0.000 0.973 416 Y CA -0.510 57.555 58.100 -0.058 0.000 1.064 416 Y CB 1.704 40.046 38.460 -0.196 0.000 1.207 416 Y HN 0.542 nan 8.280 nan 0.000 0.452 417 Y N 0.671 121.030 120.300 0.099 0.000 2.644 417 Y HA 0.843 4.957 4.550 -0.727 0.000 0.338 417 Y C -1.790 174.188 175.900 0.129 0.000 1.119 417 Y CA -1.687 56.456 58.100 0.072 0.000 1.060 417 Y CB 1.362 39.844 38.460 0.038 0.000 1.294 417 Y HN 0.302 nan 8.280 nan 0.000 0.472 418 I N 3.147 123.831 120.570 0.191 0.000 2.404 418 I HA 0.570 4.304 4.170 -0.727 0.000 0.293 418 I C -0.372 175.868 176.117 0.205 0.000 0.992 418 I CA -0.373 60.982 61.300 0.091 0.000 1.149 418 I CB 1.568 39.599 38.000 0.052 0.000 1.315 418 I HN 0.907 nan 8.210 nan 0.000 0.446 419 S N 3.726 119.517 115.700 0.151 0.000 2.671 419 S HA 0.469 4.503 4.470 -0.727 0.000 0.277 419 S C -0.414 174.211 174.600 0.041 0.000 1.165 419 S CA -0.836 57.468 58.200 0.173 0.000 0.822 419 S CB 1.951 65.353 63.200 0.337 0.000 1.150 419 S HN 0.613 nan 8.310 nan 0.000 0.479 420 N N -0.649 118.086 118.700 0.058 0.000 2.458 420 N HA 0.167 4.471 4.740 -0.727 0.000 0.274 420 N C 0.493 175.982 175.510 -0.035 0.000 1.242 420 N CA -0.344 52.699 53.050 -0.011 0.000 0.904 420 N CB 0.490 38.961 38.487 -0.028 0.000 1.206 420 N HN 0.800 nan 8.380 nan 0.000 0.510 421 E N 0.113 120.163 120.200 -0.250 0.000 2.028 421 E HA -0.193 3.721 4.350 -0.727 0.000 0.190 421 E C -0.290 176.155 176.600 -0.257 0.000 0.984 421 E CA 0.094 56.145 56.400 -0.582 0.000 0.800 421 E CB -0.178 28.558 29.700 -1.607 0.000 0.758 421 E HN 0.417 nan 8.360 nan 0.000 0.448 422 Y N 2.358 122.544 120.300 -0.190 0.000 2.910 422 Y HA -0.241 3.873 4.550 -0.727 0.000 0.358 422 Y C 0.258 176.113 175.900 -0.075 0.000 1.293 422 Y CA 1.468 59.520 58.100 -0.079 0.000 1.630 422 Y CB -0.041 38.402 38.460 -0.029 0.000 1.178 422 Y HN 0.198 nan 8.280 nan 0.000 0.550 423 K N 3.349 123.383 120.400 -0.611 0.000 3.274 423 K HA -0.238 3.646 4.320 -0.727 0.000 0.300 423 K C 0.826 177.348 176.600 -0.130 0.000 1.230 423 K CA 0.752 56.802 56.287 -0.395 0.000 0.884 423 K CB -1.798 30.477 32.500 -0.374 0.000 1.242 423 K HN 1.323 nan 8.250 nan 0.000 0.467 424 G N 0.823 109.558 108.800 -0.109 0.000 2.341 424 G HA2 -0.328 3.196 3.960 -0.727 0.000 0.292 424 G HA3 -0.328 3.196 3.960 -0.727 0.000 0.292 424 G C -0.010 174.899 174.900 0.015 0.000 1.021 424 G CA 0.965 46.059 45.100 -0.011 0.000 0.905 424 G HN 0.340 nan 8.290 nan 0.000 0.508 425 M N 0.742 120.284 119.600 -0.096 0.000 2.047 425 M HA 0.242 4.286 4.480 -0.727 0.000 0.342 425 M C -0.786 175.308 176.300 -0.344 0.000 1.058 425 M CA -2.224 52.877 55.300 -0.332 0.000 0.991 425 M CB 2.035 34.471 32.600 -0.274 0.000 1.474 425 M HN -0.027 nan 8.290 nan 0.000 0.419 426 P HA -0.080 nan 4.420 nan 0.000 0.217 426 P C 0.947 178.105 177.300 -0.237 0.000 1.150 426 P CA 1.222 64.162 63.100 -0.267 0.000 0.832 426 P CB 0.092 31.643 31.700 -0.247 0.000 0.787 427 G N -0.135 108.436 108.800 -0.381 0.000 3.374 427 G HA2 0.328 3.852 3.960 -0.727 0.000 0.252 427 G HA3 0.328 3.852 3.960 -0.727 0.000 0.252 427 G C 0.613 175.473 174.900 -0.068 0.000 1.326 427 G CA 0.072 45.084 45.100 -0.146 0.000 1.133 427 G HN 0.455 nan 8.290 nan 0.000 0.528 428 G N -0.448 108.259 108.800 -0.155 0.000 2.644 428 G HA2 0.736 4.260 3.960 -0.727 0.000 0.307 428 G HA3 0.736 4.260 3.960 -0.727 0.000 0.307 428 G C -0.976 173.717 174.900 -0.345 0.000 1.250 428 G CA -0.864 44.135 45.100 -0.168 0.000 0.996 428 G HN 0.137 nan 8.290 nan 0.000 0.489 429 R N 0.536 120.817 120.500 -0.364 0.000 2.522 429 R HA 0.373 4.277 4.340 -0.727 0.000 0.273 429 R C -1.678 174.540 176.300 -0.136 0.000 1.133 429 R CA -0.740 55.125 56.100 -0.392 0.000 0.969 429 R CB 1.863 31.623 30.300 -0.901 0.000 1.235 429 R HN 0.652 nan 8.270 nan 0.000 0.433 430 N N 1.810 120.456 118.700 -0.089 0.000 2.308 430 N HA 0.255 4.559 4.740 -0.727 0.000 0.283 430 N C -1.305 174.045 175.510 -0.265 0.000 1.105 430 N CA -0.798 52.129 53.050 -0.205 0.000 0.840 430 N CB 2.802 41.101 38.487 -0.314 0.000 1.633 430 N HN 0.277 nan 8.380 nan 0.000 0.476 431 L N 2.320 123.270 121.223 -0.455 0.000 2.380 431 L HA 0.404 4.308 4.340 -0.727 0.000 0.273 431 L C -1.242 175.248 176.870 -0.634 0.000 1.138 431 L CA 0.322 54.922 54.840 -0.400 0.000 0.832 431 L CB -0.171 41.651 42.059 -0.396 0.000 1.124 431 L HN 0.423 nan 8.230 nan 0.000 0.454 432 Y N 3.565 123.530 120.300 -0.559 0.000 2.536 432 Y HA 0.551 4.665 4.550 -0.727 0.000 0.347 432 Y C -0.293 175.337 175.900 -0.451 0.000 1.000 432 Y CA -0.747 56.986 58.100 -0.612 0.000 1.051 432 Y CB 1.810 39.653 38.460 -1.029 0.000 1.259 432 Y HN 0.482 nan 8.280 nan 0.000 0.468 433 K N 2.832 123.157 120.400 -0.126 0.000 2.345 433 K HA 0.675 4.559 4.320 -0.727 0.000 0.255 433 K C -1.783 174.847 176.600 0.050 0.000 0.934 433 K CA -0.602 55.566 56.287 -0.198 0.000 0.801 433 K CB 1.562 33.896 32.500 -0.276 0.000 1.137 433 K HN 0.722 nan 8.250 nan 0.000 0.424 434 I N 2.849 123.465 120.570 0.077 0.000 2.545 434 I HA 0.228 3.962 4.170 -0.727 0.000 0.292 434 I C -1.106 175.009 176.117 -0.004 0.000 1.040 434 I CA -0.651 60.726 61.300 0.128 0.000 1.068 434 I CB 1.891 39.979 38.000 0.147 0.000 1.251 434 I HN 0.670 nan 8.210 nan 0.000 0.424 435 Q N 6.259 126.007 119.800 -0.085 0.000 2.296 435 Q HA 0.314 4.218 4.340 -0.727 0.000 0.257 435 Q C 0.074 175.939 176.000 -0.225 0.000 0.942 435 Q CA -0.458 55.082 55.803 -0.439 0.000 0.939 435 Q CB 1.454 29.985 28.738 -0.345 0.000 1.198 435 Q HN 0.834 nan 8.270 nan 0.000 0.429 436 L N 2.443 123.495 121.223 -0.286 0.000 2.275 436 L HA -0.159 3.745 4.340 -0.727 0.000 0.215 436 L C 2.223 178.917 176.870 -0.293 0.000 1.119 436 L CA 1.219 55.985 54.840 -0.123 0.000 0.790 436 L CB -0.341 41.643 42.059 -0.126 0.000 0.919 436 L HN 0.684 nan 8.230 nan 0.000 0.443 437 S N -2.480 113.039 115.700 -0.303 0.000 2.446 437 S HA -0.045 3.989 4.470 -0.727 0.000 0.225 437 S C 0.727 175.125 174.600 -0.337 0.000 1.016 437 S CA 0.169 58.204 58.200 -0.276 0.000 0.943 437 S CB 0.141 63.225 63.200 -0.193 0.000 0.786 437 S HN 0.316 nan 8.310 nan 0.000 0.508 438 D N -0.092 120.114 120.400 -0.324 0.000 2.386 438 D HA 0.271 4.475 4.640 -0.727 0.000 0.247 438 D C -0.787 175.429 176.300 -0.141 0.000 1.336 438 D CA -0.583 53.264 54.000 -0.254 0.000 0.976 438 D CB 0.694 41.416 40.800 -0.130 0.000 1.257 438 D HN 0.057 nan 8.370 nan 0.000 0.570 439 Y N 0.988 121.260 120.300 -0.047 0.000 2.680 439 Y HA -0.064 4.050 4.550 -0.726 0.000 0.303 439 Y C 2.480 178.376 175.900 -0.005 0.000 1.166 439 Y CA 0.978 59.059 58.100 -0.032 0.000 1.344 439 Y CB -0.627 37.820 38.460 -0.022 0.000 1.002 439 Y HN 0.379 nan 8.280 nan 0.000 0.537 440 T N -3.417 111.200 114.554 0.104 0.000 3.081 440 T HA 0.030 3.944 4.350 -0.727 0.000 0.255 440 T C 0.775 175.516 174.700 0.068 0.000 1.113 440 T CA 0.015 62.161 62.100 0.076 0.000 1.082 440 T CB -0.014 68.876 68.868 0.037 0.000 0.939 440 T HN -0.078 nan 8.240 nan 0.000 0.506 441 K N 2.664 123.102 120.400 0.063 0.000 2.222 441 K HA 0.442 4.326 4.320 -0.727 0.000 0.243 441 K C -0.969 175.694 176.600 0.105 0.000 1.160 441 K CA -0.197 56.129 56.287 0.066 0.000 1.090 441 K CB 0.858 33.382 32.500 0.040 0.000 1.694 441 K HN 0.220 nan 8.250 nan 0.000 0.361 442 V N 1.883 121.866 119.914 0.116 0.000 2.398 442 V HA 0.240 3.924 4.120 -0.727 0.000 0.286 442 V C 0.203 176.372 176.094 0.125 0.000 1.026 442 V CA -0.503 61.887 62.300 0.150 0.000 0.868 442 V CB 1.743 33.677 31.823 0.184 0.000 0.982 442 V HN 0.449 nan 8.190 nan 0.000 0.443 443 T N 3.650 118.259 114.554 0.092 0.000 2.797 443 T HA 0.209 4.124 4.350 -0.727 0.000 0.279 443 T C -0.337 174.307 174.700 -0.092 0.000 0.991 443 T CA -0.252 61.851 62.100 0.005 0.000 0.979 443 T CB 1.176 70.017 68.868 -0.044 0.000 0.943 443 T HN 0.767 nan 8.240 nan 0.000 0.444 444 C N 6.556 125.725 119.300 -0.218 0.000 2.135 444 C HA 0.368 4.392 4.460 -0.727 0.000 0.345 444 C C 1.762 176.414 174.990 -0.563 0.000 1.067 444 C CA -0.771 57.830 59.018 -0.695 0.000 1.517 444 C CB -2.336 24.887 27.740 -0.861 0.000 1.923 444 C HN 0.966 nan 8.230 nan 0.000 0.466 445 L N 4.424 125.341 121.223 -0.510 0.000 2.642 445 L HA -0.009 3.895 4.340 -0.727 0.000 0.236 445 L C 2.021 178.584 176.870 -0.510 0.000 1.169 445 L CA 1.281 55.879 54.840 -0.403 0.000 0.851 445 L CB -0.669 41.214 42.059 -0.294 0.000 0.968 445 L HN 0.902 nan 8.230 nan 0.000 0.453 446 S N -3.425 111.865 115.700 -0.684 0.000 2.882 446 S HA -0.023 4.011 4.470 -0.727 0.000 0.258 446 S C 1.904 176.066 174.600 -0.730 0.000 1.081 446 S CA 0.239 57.921 58.200 -0.864 0.000 0.886 446 S CB -0.260 62.082 63.200 -1.430 0.000 0.855 446 S HN 0.322 nan 8.310 nan 0.000 0.467 447 C N 2.371 121.229 119.300 -0.737 0.000 2.304 447 C HA -0.152 3.872 4.460 -0.727 0.000 0.269 447 C C 2.480 177.132 174.990 -0.563 0.000 1.136 447 C CA 2.022 60.538 59.018 -0.836 0.000 1.796 447 C CB -1.357 25.857 27.740 -0.878 0.000 2.017 447 C HN 0.686 nan 8.230 nan 0.000 0.431 448 E N 0.097 120.093 120.200 -0.341 0.000 2.476 448 E HA 0.142 4.056 4.350 -0.727 0.000 0.191 448 E C 1.825 178.349 176.600 -0.126 0.000 1.064 448 E CA -0.032 56.269 56.400 -0.165 0.000 0.866 448 E CB -0.265 29.382 29.700 -0.090 0.000 0.952 448 E HN 0.577 nan 8.360 nan 0.000 0.492 449 L N 0.110 121.238 121.223 -0.158 0.000 1.955 449 L HA -0.122 3.782 4.340 -0.727 0.000 0.213 449 L C 1.100 177.950 176.870 -0.033 0.000 1.072 449 L CA 1.000 55.786 54.840 -0.091 0.000 0.755 449 L CB -0.237 41.769 42.059 -0.089 0.000 0.888 449 L HN 0.154 nan 8.230 nan 0.000 0.432 450 N N -0.812 117.883 118.700 -0.009 0.000 2.653 450 N HA 0.128 4.433 4.740 -0.727 0.000 0.261 450 N C -2.173 173.333 175.510 -0.008 0.000 1.216 450 N CA -1.303 51.743 53.050 -0.006 0.000 0.784 450 N CB 1.515 39.999 38.487 -0.004 0.000 1.327 450 N HN -0.145 nan 8.380 nan 0.000 0.539 451 P HA -0.054 nan 4.420 nan 0.000 0.223 451 P C 0.388 177.701 177.300 0.023 0.000 1.151 451 P CA 1.153 64.259 63.100 0.010 0.000 0.787 451 P CB 0.643 32.371 31.700 0.046 0.000 0.788 452 E N 0.193 120.395 120.200 0.004 0.000 2.166 452 E HA -0.023 3.891 4.350 -0.727 0.000 0.192 452 E C 2.349 178.929 176.600 -0.032 0.000 0.967 452 E CA 0.107 56.505 56.400 -0.003 0.000 0.840 452 E CB -0.362 29.334 29.700 -0.008 0.000 0.795 452 E HN 0.190 nan 8.360 nan 0.000 0.470 453 R N 0.849 121.319 120.500 -0.051 0.000 2.075 453 R HA 0.038 3.943 4.340 -0.727 0.000 0.226 453 R C 0.057 176.289 176.300 -0.114 0.000 1.114 453 R CA 0.901 56.947 56.100 -0.090 0.000 0.972 453 R CB 0.250 30.494 30.300 -0.092 0.000 0.869 453 R HN 0.106 nan 8.270 nan 0.000 0.437 454 c N 1.160 119.697 118.600 -0.105 0.000 2.291 454 c HA 0.417 4.551 4.570 -0.727 0.000 0.322 454 c C 0.046 174.060 174.090 -0.127 0.000 1.205 454 c CA -0.690 55.520 56.329 -0.197 0.000 1.495 454 c CB 1.143 43.491 42.510 -0.271 0.000 2.127 454 c HN 0.548 nan 8.230 nan 0.000 0.452 455 Q N 0.309 120.033 119.800 -0.128 0.000 2.127 455 Q HA 0.197 4.101 4.340 -0.727 0.000 0.222 455 Q C -0.995 174.987 176.000 -0.031 0.000 0.794 455 Q CA 0.119 55.903 55.803 -0.032 0.000 1.010 455 Q CB 1.078 29.830 28.738 0.024 0.000 1.170 455 Q HN 0.811 nan 8.270 nan 0.000 0.479 456 Y N 0.349 120.499 120.300 -0.250 0.000 2.445 456 Y HA 0.325 4.439 4.550 -0.726 0.000 0.332 456 Y C -1.481 174.236 175.900 -0.304 0.000 1.037 456 Y CA -1.077 56.912 58.100 -0.184 0.000 1.296 456 Y CB 0.507 38.883 38.460 -0.140 0.000 1.099 456 Y HN -0.064 nan 8.280 nan 0.000 0.496 457 Y N 1.748 121.956 120.300 -0.153 0.000 2.519 457 Y HA 0.674 4.788 4.550 -0.726 0.000 0.324 457 Y C 0.335 176.204 175.900 -0.052 0.000 1.214 457 Y CA -0.430 57.614 58.100 -0.093 0.000 1.260 457 Y CB 2.126 40.490 38.460 -0.159 0.000 1.311 457 Y HN 0.389 nan 8.280 nan 0.000 0.505 458 S N 0.846 116.653 115.700 0.178 0.000 2.543 458 S HA 0.630 4.664 4.470 -0.727 0.000 0.273 458 S C -2.125 172.553 174.600 0.131 0.000 1.152 458 S CA -0.617 57.665 58.200 0.137 0.000 0.910 458 S CB 1.068 64.354 63.200 0.143 0.000 1.105 458 S HN 0.612 nan 8.310 nan 0.000 0.465 459 V N 3.009 122.995 119.914 0.121 0.000 3.001 459 V HA 0.928 4.612 4.120 -0.727 0.000 0.314 459 V C -0.777 175.411 176.094 0.157 0.000 1.099 459 V CA -0.318 62.038 62.300 0.092 0.000 0.989 459 V CB 2.380 34.171 31.823 -0.055 0.000 1.040 459 V HN 0.934 nan 8.190 nan 0.000 0.434 460 S N 4.133 119.921 115.700 0.147 0.000 2.664 460 S HA 0.597 4.632 4.470 -0.727 0.000 0.262 460 S C -0.993 173.836 174.600 0.381 0.000 1.229 460 S CA -0.443 57.944 58.200 0.312 0.000 1.151 460 S CB 0.023 63.402 63.200 0.299 0.000 1.054 460 S HN 0.493 nan 8.310 nan 0.000 0.483 461 F N 2.861 122.901 119.950 0.149 0.000 2.406 461 F HA 0.376 4.466 4.527 -0.727 0.000 0.327 461 F C 1.546 176.975 175.800 -0.619 0.000 1.153 461 F CA -0.097 57.836 58.000 -0.112 0.000 1.218 461 F CB 0.822 39.714 39.000 -0.180 0.000 1.215 461 F HN 0.578 nan 8.300 nan 0.000 0.570 462 S N 1.438 116.603 115.700 -0.891 0.000 2.641 462 S HA 0.197 4.231 4.470 -0.727 0.000 0.261 462 S C 1.184 175.525 174.600 -0.433 0.000 1.257 462 S CA -0.768 56.594 58.200 -1.396 0.000 0.983 462 S CB 0.781 63.255 63.200 -1.210 0.000 0.990 462 S HN 0.504 nan 8.310 nan 0.000 0.572 463 K N 0.736 121.003 120.400 -0.221 0.000 2.160 463 K HA -0.057 3.828 4.320 -0.727 0.000 0.206 463 K C 1.258 177.839 176.600 -0.032 0.000 1.047 463 K CA 1.492 57.754 56.287 -0.041 0.000 0.930 463 K CB -0.386 32.130 32.500 0.027 0.000 0.720 463 K HN 0.668 nan 8.250 nan 0.000 0.450 464 E N -1.486 118.675 120.200 -0.066 0.000 2.526 464 E HA 0.212 4.127 4.350 -0.727 0.000 0.208 464 E C 0.088 176.656 176.600 -0.052 0.000 0.997 464 E CA 0.363 56.743 56.400 -0.034 0.000 0.961 464 E CB 0.848 30.537 29.700 -0.019 0.000 1.030 464 E HN 0.183 nan 8.360 nan 0.000 0.483 465 A N 1.475 124.249 122.820 -0.077 0.000 3.194 465 A HA -0.244 3.640 4.320 -0.727 0.000 0.235 465 A C 1.321 178.885 177.584 -0.033 0.000 1.339 465 A CA 1.329 53.371 52.037 0.008 0.000 0.930 465 A CB -2.277 16.669 19.000 -0.090 0.000 1.101 465 A HN 0.200 nan 8.150 nan 0.000 0.713 466 K N -1.537 118.739 120.400 -0.207 0.000 2.296 466 K HA 0.163 4.047 4.320 -0.727 0.000 0.200 466 K C 0.135 176.411 176.600 -0.540 0.000 1.048 466 K CA 1.262 57.312 56.287 -0.394 0.000 0.966 466 K CB -0.005 32.141 32.500 -0.591 0.000 0.754 466 K HN 0.629 nan 8.250 nan 0.000 0.466 467 Y N -1.007 119.198 120.300 -0.159 0.000 2.634 467 Y HA 0.358 4.472 4.550 -0.727 0.000 0.340 467 Y C -0.846 174.927 175.900 -0.211 0.000 1.058 467 Y CA -1.439 56.537 58.100 -0.207 0.000 1.081 467 Y CB 1.567 39.896 38.460 -0.218 0.000 1.295 467 Y HN 0.010 nan 8.280 nan 0.000 0.487 468 Y N -1.327 118.940 120.300 -0.054 0.000 2.604 468 Y HA 0.533 4.647 4.550 -0.727 0.000 0.331 468 Y C -1.581 174.289 175.900 -0.051 0.000 1.158 468 Y CA -1.295 56.641 58.100 -0.272 0.000 1.056 468 Y CB 1.647 39.475 38.460 -1.053 0.000 1.330 468 Y HN 0.578 nan 8.280 nan 0.000 0.457 469 Q N 3.596 123.495 119.800 0.165 0.000 2.333 469 Q HA 0.575 4.479 4.340 -0.727 0.000 0.268 469 Q C -1.897 174.184 176.000 0.135 0.000 1.007 469 Q CA -0.751 55.079 55.803 0.044 0.000 0.810 469 Q CB 1.678 30.357 28.738 -0.099 0.000 1.264 469 Q HN 0.945 nan 8.270 nan 0.000 0.452 470 L N 3.592 124.936 121.223 0.203 0.000 2.357 470 L HA 0.536 4.441 4.340 -0.727 0.000 0.273 470 L C 0.004 176.963 176.870 0.150 0.000 1.080 470 L CA -0.537 54.444 54.840 0.235 0.000 0.803 470 L CB 1.164 43.419 42.059 0.327 0.000 1.174 470 L HN 0.581 nan 8.230 nan 0.000 0.443 471 R N 1.773 122.347 120.500 0.124 0.000 2.487 471 R HA 0.241 4.145 4.340 -0.727 0.000 0.288 471 R C -0.988 175.145 176.300 -0.279 0.000 1.394 471 R CA -0.536 55.488 56.100 -0.127 0.000 1.155 471 R CB 1.272 31.548 30.300 -0.039 0.000 1.156 471 R HN 0.607 nan 8.270 nan 0.000 0.553 472 c N 1.609 119.941 118.600 -0.446 0.000 2.633 472 c HA 0.136 4.270 4.570 -0.727 0.000 0.415 472 c C 1.196 175.020 174.090 -0.444 0.000 1.393 472 c CA 0.300 56.240 56.329 -0.648 0.000 1.700 472 c CB -0.050 42.161 42.510 -0.497 0.000 2.541 472 c HN 0.859 nan 8.230 nan 0.000 0.603 473 S N 2.863 118.382 115.700 -0.303 0.000 2.629 473 S HA 0.524 4.558 4.470 -0.727 0.000 0.236 473 S C 0.385 174.935 174.600 -0.083 0.000 1.010 473 S CA 0.415 58.522 58.200 -0.156 0.000 0.981 473 S CB 0.288 63.431 63.200 -0.095 0.000 0.919 473 S HN 1.456 nan 8.310 nan 0.000 0.514 474 G N 2.011 110.744 108.800 -0.112 0.000 2.359 474 G HA2 0.150 3.674 3.960 -0.727 0.000 0.293 474 G HA3 0.150 3.674 3.960 -0.727 0.000 0.293 474 G C -3.003 171.853 174.900 -0.073 0.000 1.300 474 G CA -0.586 44.487 45.100 -0.046 0.000 0.888 474 G HN -0.176 nan 8.290 nan 0.000 0.541 475 P HA 0.164 nan 4.420 nan 0.000 0.245 475 P C 1.190 178.434 177.300 -0.094 0.000 1.212 475 P CA 1.272 64.368 63.100 -0.006 0.000 0.774 475 P CB 0.350 32.054 31.700 0.007 0.000 0.999 476 G N 0.416 109.116 108.800 -0.167 0.000 2.525 476 G HA2 0.399 3.923 3.960 -0.727 0.000 0.287 476 G HA3 0.399 3.923 3.960 -0.727 0.000 0.287 476 G C -0.231 174.414 174.900 -0.425 0.000 1.350 476 G CA -0.778 44.144 45.100 -0.296 0.000 1.039 476 G HN 0.030 nan 8.290 nan 0.000 0.513 477 L N 1.021 121.945 121.223 -0.497 0.000 2.485 477 L HA 0.113 4.017 4.340 -0.727 0.000 0.275 477 L C -1.882 174.887 176.870 -0.169 0.000 1.207 477 L CA -1.107 53.491 54.840 -0.404 0.000 0.855 477 L CB 0.542 42.439 42.059 -0.269 0.000 1.114 477 L HN 0.232 nan 8.230 nan 0.000 0.485 478 P HA 0.031 nan 4.420 nan 0.000 0.264 478 P C -0.897 176.303 177.300 -0.166 0.000 1.183 478 P CA 0.067 63.087 63.100 -0.132 0.000 0.763 478 P CB 0.619 32.297 31.700 -0.036 0.000 0.807 479 L N 5.529 126.551 121.223 -0.334 0.000 2.408 479 L HA 0.545 4.450 4.340 -0.727 0.000 0.268 479 L C -1.745 174.915 176.870 -0.351 0.000 0.986 479 L CA -0.693 54.027 54.840 -0.201 0.000 0.820 479 L CB 1.139 43.131 42.059 -0.112 0.000 1.303 479 L HN 0.220 nan 8.230 nan 0.000 0.411 480 Y N 2.595 122.858 120.300 -0.063 0.000 2.350 480 Y HA 0.745 4.859 4.550 -0.727 0.000 0.338 480 Y C 0.535 176.323 175.900 -0.188 0.000 0.961 480 Y CA -0.626 57.404 58.100 -0.116 0.000 1.100 480 Y CB 1.894 40.255 38.460 -0.165 0.000 1.179 480 Y HN 0.728 nan 8.280 nan 0.000 0.454 481 T N 0.076 114.591 114.554 -0.066 0.000 2.883 481 T HA 0.831 4.745 4.350 -0.727 0.000 0.284 481 T C -1.439 172.968 174.700 -0.489 0.000 1.041 481 T CA -0.923 61.028 62.100 -0.249 0.000 1.007 481 T CB 2.007 70.774 68.868 -0.167 0.000 1.220 481 T HN 0.427 nan 8.240 nan 0.000 0.552 482 L N 0.782 121.537 121.223 -0.780 0.000 2.422 482 L HA 0.635 4.539 4.340 -0.727 0.000 0.264 482 L C -1.268 174.957 176.870 -1.075 0.000 0.984 482 L CA -0.393 54.001 54.840 -0.744 0.000 0.819 482 L CB 1.931 43.709 42.059 -0.469 0.000 1.330 482 L HN 0.873 nan 8.230 nan 0.000 0.410 483 H N 1.344 120.137 119.070 -0.462 0.000 2.946 483 H HA 0.426 4.546 4.556 -0.727 0.000 0.365 483 H C -1.223 173.831 175.328 -0.457 0.000 1.197 483 H CA -0.869 54.825 56.048 -0.589 0.000 1.131 483 H CB 2.181 31.310 29.762 -1.055 0.000 1.849 483 H HN 0.473 nan 8.280 nan 0.000 0.555 484 S N 0.269 115.897 115.700 -0.120 0.000 2.429 484 S HA 0.186 4.220 4.470 -0.727 0.000 0.302 484 S C 0.870 175.466 174.600 -0.007 0.000 1.115 484 S CA -0.470 57.760 58.200 0.049 0.000 1.095 484 S CB 0.825 64.076 63.200 0.085 0.000 0.987 484 S HN 0.592 nan 8.310 nan 0.000 0.474 485 S N 3.683 119.404 115.700 0.034 0.000 2.368 485 S HA -0.108 3.926 4.470 -0.727 0.000 0.224 485 S C 1.998 176.638 174.600 0.066 0.000 1.029 485 S CA 1.191 59.477 58.200 0.143 0.000 0.988 485 S CB -0.392 62.881 63.200 0.122 0.000 0.838 485 S HN 0.684 nan 8.310 nan 0.000 0.462 486 V N 4.023 123.942 119.914 0.009 0.000 2.278 486 V HA -0.247 3.437 4.120 -0.727 0.000 0.251 486 V C 1.632 177.725 176.094 -0.001 0.000 1.062 486 V CA 2.457 64.758 62.300 0.002 0.000 1.038 486 V CB -0.525 31.294 31.823 -0.007 0.000 0.646 486 V HN 0.801 nan 8.190 nan 0.000 0.447 487 N N -3.114 115.590 118.700 0.006 0.000 2.181 487 N HA 0.008 4.312 4.740 -0.727 0.000 0.207 487 N C -0.164 175.343 175.510 -0.005 0.000 1.182 487 N CA 0.531 53.581 53.050 -0.001 0.000 0.893 487 N CB 0.475 38.966 38.487 0.006 0.000 1.032 487 N HN 0.381 nan 8.380 nan 0.000 0.513 488 D N 0.987 121.395 120.400 0.014 0.000 2.772 488 D HA -0.092 4.112 4.640 -0.727 0.000 0.233 488 D C -0.802 175.484 176.300 -0.024 0.000 1.143 488 D CA 1.028 55.036 54.000 0.014 0.000 0.700 488 D CB -0.719 40.081 40.800 0.001 0.000 1.076 488 D HN 0.372 nan 8.370 nan 0.000 0.430 489 K N 0.060 120.456 120.400 -0.007 0.000 2.206 489 K HA 0.568 4.452 4.320 -0.727 0.000 0.264 489 K C 0.843 177.470 176.600 0.046 0.000 0.967 489 K CA -0.596 55.694 56.287 0.006 0.000 0.844 489 K CB 1.603 34.107 32.500 0.006 0.000 1.099 489 K HN 0.106 nan 8.250 nan 0.000 0.441 490 G N 3.497 112.359 108.800 0.104 0.000 2.346 490 G HA2 0.120 3.644 3.960 -0.727 0.000 0.275 490 G HA3 0.120 3.644 3.960 -0.727 0.000 0.275 490 G C 1.146 176.024 174.900 -0.037 0.000 1.190 490 G CA -0.285 44.915 45.100 0.167 0.000 1.015 490 G HN 0.550 nan 8.290 nan 0.000 0.441 491 L N 1.983 123.124 121.223 -0.137 0.000 1.943 491 L HA 0.078 3.982 4.340 -0.727 0.000 0.215 491 L C 1.908 178.701 176.870 -0.128 0.000 1.074 491 L CA 1.561 56.325 54.840 -0.127 0.000 0.759 491 L CB -0.330 41.626 42.059 -0.171 0.000 0.888 491 L HN 0.766 nan 8.230 nan 0.000 0.433 492 R N -2.032 118.349 120.500 -0.199 0.000 2.762 492 R HA 0.496 4.400 4.340 -0.727 0.000 0.271 492 R C -1.654 174.526 176.300 -0.199 0.000 1.038 492 R CA -0.872 55.137 56.100 -0.151 0.000 0.906 492 R CB 1.634 31.872 30.300 -0.104 0.000 1.259 492 R HN -0.215 nan 8.270 nan 0.000 0.457 493 V N 2.526 122.360 119.914 -0.133 0.000 2.370 493 V HA 0.243 3.927 4.120 -0.727 0.000 0.279 493 V C 1.156 177.172 176.094 -0.129 0.000 1.029 493 V CA -0.526 61.702 62.300 -0.120 0.000 0.870 493 V CB 1.342 33.134 31.823 -0.051 0.000 0.984 493 V HN 0.630 nan 8.190 nan 0.000 0.451 494 L N 2.812 123.911 121.223 -0.207 0.000 2.168 494 L HA 0.308 4.212 4.340 -0.727 0.000 0.203 494 L C 0.668 177.546 176.870 0.014 0.000 1.078 494 L CA 0.660 55.332 54.840 -0.280 0.000 0.780 494 L CB 0.185 41.677 42.059 -0.944 0.000 0.939 494 L HN 0.633 nan 8.230 nan 0.000 0.451 495 E N 0.427 120.665 120.200 0.063 0.000 2.367 495 E HA 0.063 3.977 4.350 -0.727 0.000 0.292 495 E C -1.047 175.677 176.600 0.206 0.000 0.900 495 E CA -0.311 56.175 56.400 0.142 0.000 0.807 495 E CB 0.873 30.608 29.700 0.059 0.000 1.337 495 E HN 0.193 nan 8.360 nan 0.000 0.394 496 D N 3.748 124.220 120.400 0.120 0.000 2.402 496 D HA 0.072 4.276 4.640 -0.727 0.000 0.216 496 D C -0.283 176.060 176.300 0.073 0.000 1.128 496 D CA -0.322 53.728 54.000 0.085 0.000 0.833 496 D CB -0.071 40.753 40.800 0.039 0.000 0.971 496 D HN 0.460 nan 8.370 nan 0.000 0.503 497 N N 0.893 119.657 118.700 0.105 0.000 2.661 497 N HA -0.255 4.049 4.740 -0.727 0.000 0.249 497 N C 1.232 176.774 175.510 0.054 0.000 1.142 497 N CA 1.009 54.113 53.050 0.091 0.000 0.727 497 N CB -1.269 37.279 38.487 0.101 0.000 1.099 497 N HN 0.521 nan 8.380 nan 0.000 0.558 498 S N -0.783 114.942 115.700 0.042 0.000 2.374 498 S HA -0.179 3.855 4.470 -0.727 0.000 0.227 498 S C 2.117 176.738 174.600 0.035 0.000 1.037 498 S CA 1.375 59.591 58.200 0.027 0.000 1.024 498 S CB -0.432 62.783 63.200 0.025 0.000 0.861 498 S HN 0.527 nan 8.310 nan 0.000 0.456 499 A N 1.863 124.713 122.820 0.050 0.000 1.908 499 A HA -0.002 3.882 4.320 -0.727 0.000 0.218 499 A C 2.281 179.910 177.584 0.076 0.000 1.181 499 A CA 1.755 53.828 52.037 0.060 0.000 0.627 499 A CB -0.855 18.183 19.000 0.064 0.000 0.818 499 A HN 0.581 nan 8.150 nan 0.000 0.445 500 L N 0.009 121.283 121.223 0.086 0.000 2.109 500 L HA -0.077 3.827 4.340 -0.727 0.000 0.207 500 L C 1.899 178.800 176.870 0.051 0.000 1.086 500 L CA 2.626 57.530 54.840 0.107 0.000 0.760 500 L CB -0.474 41.666 42.059 0.136 0.000 0.910 500 L HN 0.443 nan 8.230 nan 0.000 0.437 501 D N -0.450 119.962 120.400 0.020 0.000 2.218 501 D HA -0.262 3.943 4.640 -0.727 0.000 0.204 501 D C 2.156 178.448 176.300 -0.014 0.000 0.976 501 D CA 1.385 55.373 54.000 -0.020 0.000 0.853 501 D CB -0.044 40.736 40.800 -0.032 0.000 0.939 501 D HN 0.436 nan 8.370 nan 0.000 0.481 502 K N -0.366 120.041 120.400 0.012 0.000 2.021 502 K HA -0.092 3.792 4.320 -0.727 0.000 0.205 502 K C 2.201 178.813 176.600 0.021 0.000 1.047 502 K CA 0.881 57.179 56.287 0.018 0.000 0.943 502 K CB -0.136 32.383 32.500 0.032 0.000 0.725 502 K HN 0.159 nan 8.250 nan 0.000 0.439 503 M N 1.106 120.734 119.600 0.047 0.000 2.106 503 M HA -0.200 3.844 4.480 -0.727 0.000 0.259 503 M C 2.133 178.400 176.300 -0.056 0.000 1.068 503 M CA 1.633 56.973 55.300 0.066 0.000 1.100 503 M CB -0.396 32.325 32.600 0.201 0.000 1.351 503 M HN 0.132 nan 8.290 nan 0.000 0.404 504 L N -0.043 121.104 121.223 -0.126 0.000 2.362 504 L HA -0.176 3.728 4.340 -0.727 0.000 0.219 504 L C 2.626 179.438 176.870 -0.096 0.000 1.134 504 L CA 0.549 55.278 54.840 -0.185 0.000 0.807 504 L CB -0.638 41.329 42.059 -0.153 0.000 0.927 504 L HN 0.373 nan 8.230 nan 0.000 0.447 505 Q N -0.185 119.585 119.800 -0.051 0.000 2.224 505 Q HA -0.166 3.738 4.340 -0.727 0.000 0.203 505 Q C 1.185 177.178 176.000 -0.012 0.000 0.970 505 Q CA 0.982 56.769 55.803 -0.026 0.000 0.865 505 Q CB -0.433 28.299 28.738 -0.009 0.000 0.922 505 Q HN 0.588 nan 8.270 nan 0.000 0.445 506 N N 0.553 119.247 118.700 -0.009 0.000 2.994 506 N HA 0.206 4.510 4.740 -0.727 0.000 0.306 506 N C -1.344 174.177 175.510 0.017 0.000 1.348 506 N CA -0.125 52.936 53.050 0.018 0.000 1.109 506 N CB 0.576 39.089 38.487 0.044 0.000 1.415 506 N HN -0.108 nan 8.380 nan 0.000 0.529 507 V N 0.651 120.560 119.914 -0.008 0.000 2.971 507 V HA 0.096 3.780 4.120 -0.727 0.000 0.281 507 V C -1.503 174.585 176.094 -0.010 0.000 1.470 507 V CA -0.770 61.533 62.300 0.004 0.000 0.966 507 V CB 2.090 33.888 31.823 -0.041 0.000 1.156 507 V HN 0.212 nan 8.190 nan 0.000 0.441 508 Q N 6.299 126.105 119.800 0.010 0.000 2.409 508 Q HA 0.323 4.227 4.340 -0.727 0.000 0.240 508 Q C -0.395 175.587 176.000 -0.030 0.000 1.226 508 Q CA -0.067 55.712 55.803 -0.039 0.000 0.895 508 Q CB 0.578 29.287 28.738 -0.048 0.000 1.491 508 Q HN 0.582 nan 8.270 nan 0.000 0.509 509 M N 4.171 123.737 119.600 -0.057 0.000 2.274 509 M HA 0.395 4.440 4.480 -0.727 0.000 0.344 509 M C -2.029 174.222 176.300 -0.082 0.000 1.161 509 M CA -2.584 52.680 55.300 -0.061 0.000 1.126 509 M CB 0.303 32.868 32.600 -0.058 0.000 1.522 509 M HN 0.284 nan 8.290 nan 0.000 0.461 510 P HA 0.301 nan 4.420 nan 0.000 0.282 510 P C -0.813 176.435 177.300 -0.087 0.000 1.259 510 P CA -0.386 62.652 63.100 -0.105 0.000 0.826 510 P CB 0.978 32.605 31.700 -0.122 0.000 1.064 511 S N 0.727 116.362 115.700 -0.108 0.000 2.722 511 S HA 0.541 4.576 4.470 -0.727 0.000 0.292 511 S C -0.342 174.194 174.600 -0.108 0.000 1.135 511 S CA -0.709 57.436 58.200 -0.092 0.000 1.003 511 S CB 1.377 64.517 63.200 -0.099 0.000 1.067 511 S HN 0.527 nan 8.310 nan 0.000 0.546 512 K N 0.621 120.977 120.400 -0.074 0.000 2.463 512 K HA 0.376 4.260 4.320 -0.727 0.000 0.255 512 K C -1.277 175.283 176.600 -0.067 0.000 0.942 512 K CA -0.518 55.730 56.287 -0.064 0.000 0.814 512 K CB 1.264 33.758 32.500 -0.009 0.000 1.122 512 K HN 0.736 nan 8.250 nan 0.000 0.425 513 K N 5.005 125.349 120.400 -0.092 0.000 2.244 513 K HA 0.318 4.202 4.320 -0.727 0.000 0.260 513 K C -1.432 175.112 176.600 -0.094 0.000 0.951 513 K CA -0.754 55.482 56.287 -0.085 0.000 0.826 513 K CB 1.099 33.530 32.500 -0.114 0.000 1.108 513 K HN 0.492 nan 8.250 nan 0.000 0.433 514 L N 4.509 125.703 121.223 -0.049 0.000 2.495 514 L HA 0.335 4.239 4.340 -0.727 0.000 0.248 514 L C -1.004 175.933 176.870 0.112 0.000 1.229 514 L CA -0.130 54.709 54.840 -0.001 0.000 0.942 514 L CB 0.620 42.749 42.059 0.116 0.000 1.242 514 L HN 0.716 nan 8.230 nan 0.000 0.484 515 D N 1.446 121.647 120.400 -0.331 0.000 2.607 515 D HA 0.599 4.803 4.640 -0.727 0.000 0.253 515 D C -0.758 175.401 176.300 -0.235 0.000 1.171 515 D CA 0.050 53.922 54.000 -0.214 0.000 1.084 515 D CB 1.267 41.959 40.800 -0.180 0.000 1.203 515 D HN 0.135 nan 8.370 nan 0.000 0.629 516 F N -1.117 118.785 119.950 -0.080 0.000 2.745 516 F HA 0.592 4.683 4.527 -0.727 0.000 0.316 516 F C -0.949 175.008 175.800 0.261 0.000 1.155 516 F CA -1.085 56.992 58.000 0.128 0.000 0.937 516 F CB 0.542 39.131 39.000 -0.685 0.000 1.361 516 F HN 0.293 nan 8.300 nan 0.000 0.472 517 I N -0.409 120.404 120.570 0.406 0.000 3.294 517 I HA 0.746 4.480 4.170 -0.727 0.000 0.311 517 I C -1.429 174.914 176.117 0.378 0.000 1.111 517 I CA -1.323 60.094 61.300 0.196 0.000 0.976 517 I CB 2.354 40.397 38.000 0.072 0.000 1.260 517 I HN 0.451 nan 8.210 nan 0.000 0.474 518 I N 2.979 123.694 120.570 0.242 0.000 2.498 518 I HA 0.579 4.313 4.170 -0.727 0.000 0.290 518 I C -0.573 175.682 176.117 0.229 0.000 1.032 518 I CA -0.494 60.966 61.300 0.266 0.000 1.073 518 I CB 1.598 39.712 38.000 0.191 0.000 1.251 518 I HN 0.531 nan 8.210 nan 0.000 0.426 519 L N 5.041 126.455 121.223 0.318 0.000 2.393 519 L HA 0.483 4.387 4.340 -0.727 0.000 0.260 519 L C 0.275 177.287 176.870 0.238 0.000 1.002 519 L CA -1.001 53.987 54.840 0.246 0.000 0.818 519 L CB 1.689 43.878 42.059 0.217 0.000 1.369 519 L HN 0.493 nan 8.230 nan 0.000 0.412 520 N N 2.407 121.190 118.700 0.140 0.000 2.691 520 N HA -0.252 4.052 4.740 -0.727 0.000 0.257 520 N C 0.307 175.875 175.510 0.096 0.000 0.966 520 N CA 1.349 54.460 53.050 0.102 0.000 0.810 520 N CB -0.659 37.883 38.487 0.091 0.000 0.932 520 N HN 0.721 nan 8.380 nan 0.000 0.546 521 E N -4.145 116.111 120.200 0.092 0.000 4.086 521 E HA -0.218 3.696 4.350 -0.727 0.000 0.363 521 E C 0.399 177.028 176.600 0.049 0.000 0.616 521 E CA 1.810 58.248 56.400 0.064 0.000 1.293 521 E CB -1.655 28.068 29.700 0.038 0.000 1.747 521 E HN 0.663 nan 8.360 nan 0.000 0.405 522 T N 1.126 115.724 114.554 0.074 0.000 2.837 522 T HA 0.452 4.366 4.350 -0.727 0.000 0.285 522 T C -0.021 174.635 174.700 -0.074 0.000 0.984 522 T CA -0.483 61.583 62.100 -0.058 0.000 1.049 522 T CB 0.900 69.696 68.868 -0.120 0.000 0.947 522 T HN 0.155 nan 8.240 nan 0.000 0.472 523 K N 3.361 123.615 120.400 -0.243 0.000 2.183 523 K HA 0.567 4.451 4.320 -0.727 0.000 0.274 523 K C -1.267 175.112 176.600 -0.368 0.000 1.009 523 K CA -0.700 55.500 56.287 -0.146 0.000 0.888 523 K CB 0.809 33.072 32.500 -0.394 0.000 1.078 523 K HN 0.395 nan 8.250 nan 0.000 0.459 524 F N 2.077 122.130 119.950 0.172 0.000 2.427 524 F HA 0.321 4.412 4.527 -0.726 0.000 0.348 524 F C -0.500 175.524 175.800 0.374 0.000 1.125 524 F CA -0.741 57.374 58.000 0.192 0.000 0.989 524 F CB 0.822 39.919 39.000 0.161 0.000 1.165 524 F HN 0.510 nan 8.300 nan 0.000 0.442 525 W N 4.006 125.516 121.300 0.351 0.000 2.170 525 W HA 0.392 4.615 4.660 -0.727 0.000 0.336 525 W C -0.236 176.620 176.519 0.563 0.000 1.283 525 W CA -0.163 57.444 57.345 0.436 0.000 1.224 525 W CB 0.358 29.951 29.460 0.221 0.000 1.132 525 W HN 0.508 nan 8.180 nan 0.000 0.571 526 Y N -0.352 120.374 120.300 0.709 0.000 2.677 526 Y HA 0.683 4.796 4.550 -0.727 0.000 0.334 526 Y C -1.089 175.094 175.900 0.471 0.000 1.154 526 Y CA -1.838 56.644 58.100 0.637 0.000 1.070 526 Y CB 1.338 40.255 38.460 0.760 0.000 1.294 526 Y HN 0.519 nan 8.280 nan 0.000 0.475 527 Q N 1.860 121.913 119.800 0.423 0.000 2.309 527 Q HA 0.663 4.567 4.340 -0.727 0.000 0.273 527 Q C -2.037 174.084 176.000 0.201 0.000 1.040 527 Q CA -0.982 54.924 55.803 0.170 0.000 0.834 527 Q CB 2.927 31.759 28.738 0.157 0.000 1.345 527 Q HN 0.870 nan 8.270 nan 0.000 0.414 528 M N 2.594 122.236 119.600 0.071 0.000 2.535 528 M HA 0.540 4.584 4.480 -0.727 0.000 0.314 528 M C -1.035 175.219 176.300 -0.076 0.000 1.153 528 M CA -1.112 54.181 55.300 -0.012 0.000 0.924 528 M CB 2.167 34.716 32.600 -0.084 0.000 1.710 528 M HN 0.605 nan 8.290 nan 0.000 0.451 529 I N 3.842 124.355 120.570 -0.094 0.000 2.339 529 I HA 0.453 4.187 4.170 -0.727 0.000 0.290 529 I C -0.665 175.327 176.117 -0.208 0.000 0.994 529 I CA -0.419 60.807 61.300 -0.122 0.000 1.191 529 I CB 1.119 39.065 38.000 -0.091 0.000 1.343 529 I HN 0.602 nan 8.210 nan 0.000 0.458 530 L N 8.077 129.139 121.223 -0.269 0.000 2.329 530 L HA 0.494 4.398 4.340 -0.727 0.000 0.279 530 L C -2.335 174.385 176.870 -0.250 0.000 1.014 530 L CA -1.853 52.753 54.840 -0.390 0.000 0.814 530 L CB 1.746 43.415 42.059 -0.649 0.000 1.257 530 L HN 0.251 nan 8.230 nan 0.000 0.424 531 P HA 0.108 nan 4.420 nan 0.000 0.270 531 P C -2.515 174.744 177.300 -0.068 0.000 1.223 531 P CA -0.947 62.081 63.100 -0.120 0.000 0.785 531 P CB -0.039 31.610 31.700 -0.085 0.000 0.923 532 P HA 0.058 nan 4.420 nan 0.000 0.271 532 P C -0.665 176.555 177.300 -0.134 0.000 1.216 532 P CA 0.467 63.430 63.100 -0.229 0.000 0.771 532 P CB -0.232 31.241 31.700 -0.377 0.000 0.864 533 H N -0.872 118.242 119.070 0.072 0.000 2.886 533 H HA -0.199 3.921 4.556 -0.726 0.000 0.294 533 H C -0.102 175.293 175.328 0.112 0.000 1.246 533 H CA -0.588 55.504 56.048 0.073 0.000 1.142 533 H CB -2.107 27.686 29.762 0.052 0.000 1.358 533 H HN 0.361 nan 8.280 nan 0.000 0.406 534 F N 2.670 122.660 119.950 0.067 0.000 2.602 534 F HA 0.076 4.167 4.527 -0.727 0.000 0.385 534 F C 0.559 176.415 175.800 0.094 0.000 1.063 534 F CA -0.001 57.999 58.000 0.000 0.000 1.233 534 F CB 0.514 39.372 39.000 -0.235 0.000 1.067 534 F HN 0.251 nan 8.300 nan 0.000 0.564 535 D N 6.848 126.932 120.400 -0.528 0.000 2.438 535 D HA 0.088 4.292 4.640 -0.727 0.000 0.257 535 D C 0.692 176.619 176.300 -0.621 0.000 1.148 535 D CA -0.540 53.194 54.000 -0.442 0.000 0.902 535 D CB 0.660 41.340 40.800 -0.201 0.000 1.062 535 D HN 0.710 nan 8.370 nan 0.000 0.518 536 K N 1.006 120.975 120.400 -0.719 0.000 2.588 536 K HA -0.162 3.722 4.320 -0.727 0.000 0.196 536 K C 0.976 177.562 176.600 -0.023 0.000 1.044 536 K CA 1.097 57.176 56.287 -0.346 0.000 0.934 536 K CB -0.289 32.191 32.500 -0.033 0.000 0.773 536 K HN 0.210 nan 8.250 nan 0.000 0.489 537 S N -0.346 115.292 115.700 -0.104 0.000 2.535 537 S HA 0.105 4.139 4.470 -0.727 0.000 0.214 537 S C 0.306 174.860 174.600 -0.077 0.000 0.980 537 S CA -0.559 57.612 58.200 -0.048 0.000 0.907 537 S CB 0.163 63.325 63.200 -0.063 0.000 0.790 537 S HN 0.221 nan 8.310 nan 0.000 0.510 538 K N 1.252 121.559 120.400 -0.154 0.000 2.123 538 K HA 0.450 4.334 4.320 -0.727 0.000 0.248 538 K C -0.674 175.835 176.600 -0.152 0.000 0.969 538 K CA -0.835 55.299 56.287 -0.255 0.000 0.882 538 K CB 0.764 32.934 32.500 -0.550 0.000 1.080 538 K HN 0.006 nan 8.250 nan 0.000 0.441 539 K N 2.322 122.613 120.400 -0.182 0.000 2.240 539 K HA 0.284 4.168 4.320 -0.727 0.000 0.271 539 K C -0.863 175.667 176.600 -0.115 0.000 1.018 539 K CA -0.370 55.890 56.287 -0.045 0.000 0.874 539 K CB 0.750 33.216 32.500 -0.057 0.000 1.098 539 K HN 0.461 nan 8.250 nan 0.000 0.458 540 Y N 2.709 123.048 120.300 0.065 0.000 2.487 540 Y HA 0.317 4.431 4.550 -0.727 0.000 0.337 540 Y C -1.851 174.017 175.900 -0.052 0.000 1.076 540 Y CA -2.182 55.938 58.100 0.032 0.000 1.115 540 Y CB 1.478 40.030 38.460 0.153 0.000 1.235 540 Y HN 0.451 nan 8.280 nan 0.000 0.468 541 P HA 0.241 nan 4.420 nan 0.000 0.281 541 P C -1.230 175.978 177.300 -0.154 0.000 1.249 541 P CA -0.266 62.646 63.100 -0.313 0.000 0.810 541 P CB 1.828 33.105 31.700 -0.704 0.000 1.008 542 L N 2.944 124.083 121.223 -0.139 0.000 2.381 542 L HA 0.451 4.355 4.340 -0.727 0.000 0.274 542 L C -1.068 175.960 176.870 0.263 0.000 0.988 542 L CA -1.249 53.635 54.840 0.072 0.000 0.824 542 L CB 1.833 43.939 42.059 0.078 0.000 1.263 542 L HN 0.194 nan 8.230 nan 0.000 0.410 543 L N 5.966 127.371 121.223 0.304 0.000 2.276 543 L HA 0.433 4.337 4.340 -0.727 0.000 0.286 543 L C -1.031 176.073 176.870 0.390 0.000 1.024 543 L CA -0.327 54.759 54.840 0.410 0.000 0.826 543 L CB 1.407 43.674 42.059 0.347 0.000 1.211 543 L HN 0.554 nan 8.230 nan 0.000 0.422 544 L N 5.258 126.751 121.223 0.450 0.000 2.369 544 L HA 0.349 4.253 4.340 -0.727 0.000 0.279 544 L C -0.290 176.814 176.870 0.392 0.000 1.108 544 L CA 0.466 55.559 54.840 0.422 0.000 0.852 544 L CB 0.318 42.661 42.059 0.474 0.000 1.169 544 L HN 0.661 nan 8.230 nan 0.000 0.452 545 D N 4.396 125.014 120.400 0.364 0.000 2.249 545 D HA 0.360 4.564 4.640 -0.727 0.000 0.246 545 D C -1.048 175.360 176.300 0.181 0.000 1.114 545 D CA -0.017 54.150 54.000 0.278 0.000 0.854 545 D CB 1.603 42.628 40.800 0.375 0.000 1.132 545 D HN 0.424 nan 8.370 nan 0.000 0.461 546 V N 4.693 124.623 119.914 0.027 0.000 3.007 546 V HA 0.477 4.161 4.120 -0.727 0.000 0.311 546 V C -1.385 174.770 176.094 0.101 0.000 1.120 546 V CA -0.445 61.918 62.300 0.104 0.000 0.980 546 V CB 1.983 33.864 31.823 0.098 0.000 1.033 546 V HN 0.676 nan 8.190 nan 0.000 0.429 547 Y N 4.546 124.902 120.300 0.093 0.000 2.912 547 Y HA 0.546 4.660 4.550 -0.726 0.000 0.250 547 Y C 1.777 177.758 175.900 0.134 0.000 1.073 547 Y CA 1.580 59.752 58.100 0.120 0.000 1.275 547 Y CB 0.369 38.886 38.460 0.096 0.000 1.470 547 Y HN 1.443 nan 8.280 nan 0.000 0.447 548 A N 0.792 123.774 122.820 0.270 0.000 3.408 548 A HA -0.255 3.629 4.320 -0.727 0.000 0.269 548 A C 1.301 178.780 177.584 -0.176 0.000 1.124 548 A CA 1.244 53.350 52.037 0.115 0.000 0.999 548 A CB -2.632 16.460 19.000 0.153 0.000 1.067 548 A HN 0.993 nan 8.150 nan 0.000 0.815 549 G N 0.088 108.711 108.800 -0.296 0.000 2.562 549 G HA2 0.371 3.895 3.960 -0.727 0.000 0.233 549 G HA3 0.371 3.895 3.960 -0.727 0.000 0.233 549 G C -1.545 173.165 174.900 -0.317 0.000 1.266 549 G CA 0.020 44.626 45.100 -0.823 0.000 0.852 549 G HN 0.547 nan 8.290 nan 0.000 0.581 550 P HA 0.020 nan 4.420 nan 0.000 0.262 550 P C 0.557 177.721 177.300 -0.227 0.000 1.199 550 P CA 0.323 63.208 63.100 -0.358 0.000 0.763 550 P CB 0.639 31.832 31.700 -0.845 0.000 0.790 551 C N 2.522 121.725 119.300 -0.163 0.000 4.550 551 C HA -0.118 3.906 4.460 -0.727 0.000 0.282 551 C C 0.679 175.571 174.990 -0.162 0.000 1.290 551 C CA 0.978 59.829 59.018 -0.279 0.000 1.964 551 C CB -2.607 24.850 27.740 -0.472 0.000 1.284 551 C HN 0.811 nan 8.230 nan 0.000 0.758 552 S N 0.313 115.987 115.700 -0.044 0.000 2.578 552 S HA 0.645 4.679 4.470 -0.727 0.000 0.283 552 S C -0.716 173.921 174.600 0.062 0.000 1.195 552 S CA -0.028 58.190 58.200 0.031 0.000 1.050 552 S CB 1.795 65.061 63.200 0.110 0.000 1.012 552 S HN 0.811 nan 8.310 nan 0.000 0.511 553 Q N 1.303 121.188 119.800 0.143 0.000 2.490 553 Q HA 0.386 4.290 4.340 -0.727 0.000 0.255 553 Q C -0.175 175.922 176.000 0.162 0.000 0.997 553 Q CA -0.653 55.273 55.803 0.204 0.000 0.709 553 Q CB 0.798 29.763 28.738 0.378 0.000 1.255 553 Q HN 0.674 nan 8.270 nan 0.000 0.486 554 K N 1.109 121.608 120.400 0.166 0.000 2.352 554 K HA 0.267 4.151 4.320 -0.727 0.000 0.194 554 K C -0.049 176.661 176.600 0.184 0.000 1.038 554 K CA 0.357 56.747 56.287 0.170 0.000 1.023 554 K CB 0.936 33.566 32.500 0.216 0.000 0.840 554 K HN 0.530 nan 8.250 nan 0.000 0.519 555 A N 2.912 125.856 122.820 0.207 0.000 2.252 555 A HA 0.418 4.302 4.320 -0.727 0.000 0.309 555 A C -0.638 177.031 177.584 0.142 0.000 1.285 555 A CA -0.404 51.765 52.037 0.220 0.000 0.900 555 A CB 0.156 19.352 19.000 0.327 0.000 1.157 555 A HN 0.303 nan 8.150 nan 0.000 0.536 556 D N -0.281 120.181 120.400 0.104 0.000 2.713 556 D HA 0.303 4.507 4.640 -0.727 0.000 0.306 556 D C 0.060 176.395 176.300 0.057 0.000 1.299 556 D CA 0.266 54.310 54.000 0.074 0.000 0.823 556 D CB 0.201 41.062 40.800 0.102 0.000 1.353 556 D HN 0.269 nan 8.370 nan 0.000 0.447 557 T N -1.923 112.686 114.554 0.092 0.000 3.251 557 T HA 0.401 4.315 4.350 -0.727 0.000 0.259 557 T C 0.094 174.822 174.700 0.045 0.000 0.998 557 T CA -0.380 61.765 62.100 0.074 0.000 0.905 557 T CB -0.806 68.112 68.868 0.084 0.000 1.067 557 T HN 0.307 nan 8.240 nan 0.000 0.569 558 V N 2.569 122.452 119.914 -0.052 0.000 2.498 558 V HA 0.433 4.117 4.120 -0.727 0.000 0.279 558 V C -0.031 176.058 176.094 -0.009 0.000 1.048 558 V CA -1.156 61.060 62.300 -0.141 0.000 0.967 558 V CB 0.360 31.958 31.823 -0.376 0.000 0.988 558 V HN 0.565 nan 8.190 nan 0.000 0.473 559 F N 6.443 126.319 119.950 -0.125 0.000 2.410 559 F HA 0.643 4.735 4.527 -0.725 0.000 0.348 559 F C 0.387 176.140 175.800 -0.077 0.000 1.106 559 F CA -0.342 57.603 58.000 -0.093 0.000 1.163 559 F CB 0.398 39.346 39.000 -0.087 0.000 1.129 559 F HN 0.451 nan 8.300 nan 0.000 0.516 560 R N 5.841 125.891 120.500 -0.751 0.000 2.740 560 R HA 0.572 4.476 4.340 -0.727 0.000 0.273 560 R C -1.739 174.109 176.300 -0.754 0.000 0.998 560 R CA -1.096 54.630 56.100 -0.623 0.000 0.900 560 R CB 2.108 32.253 30.300 -0.259 0.000 1.223 560 R HN 0.658 nan 8.270 nan 0.000 0.466 561 L N 3.644 124.592 121.223 -0.457 0.000 2.384 561 L HA 0.401 4.305 4.340 -0.727 0.000 0.261 561 L C -0.911 175.977 176.870 0.031 0.000 1.024 561 L CA -0.681 53.977 54.840 -0.303 0.000 0.899 561 L CB 0.595 42.554 42.059 -0.168 0.000 1.243 561 L HN 0.723 nan 8.230 nan 0.000 0.449 562 N N -0.307 118.362 118.700 -0.051 0.000 3.229 562 N HA 0.187 4.491 4.740 -0.727 0.000 0.315 562 N C 0.289 175.538 175.510 -0.435 0.000 1.520 562 N CA -0.951 52.035 53.050 -0.106 0.000 0.769 562 N CB 0.250 38.732 38.487 -0.008 0.000 1.766 562 N HN 0.255 nan 8.380 nan 0.000 0.618 563 W N 0.654 121.319 121.300 -1.058 0.000 2.308 563 W HA -0.051 4.177 4.660 -0.720 0.000 0.301 563 W C 2.033 178.387 176.519 -0.275 0.000 1.220 563 W CA 3.028 59.888 57.345 -0.808 0.000 1.240 563 W CB -0.903 28.029 29.460 -0.880 0.000 1.142 563 W HN 0.721 nan 8.180 nan 0.000 0.521 564 A N -0.729 121.997 122.820 -0.157 0.000 1.902 564 A HA -0.214 3.670 4.320 -0.727 0.000 0.217 564 A C 1.963 179.412 177.584 -0.226 0.000 1.181 564 A CA 2.525 54.439 52.037 -0.204 0.000 0.623 564 A CB -1.352 17.626 19.000 -0.037 0.000 0.818 564 A HN 0.290 nan 8.150 nan 0.000 0.443 565 T N -0.921 113.529 114.554 -0.174 0.000 2.597 565 T HA -0.289 3.625 4.350 -0.727 0.000 0.267 565 T C 1.812 176.496 174.700 -0.027 0.000 1.053 565 T CA 2.096 64.084 62.100 -0.186 0.000 1.165 565 T CB -0.596 68.031 68.868 -0.402 0.000 0.863 565 T HN 0.689 nan 8.240 nan 0.000 0.427 566 Y N 2.001 122.329 120.300 0.047 0.000 2.145 566 Y HA -0.032 4.082 4.550 -0.727 0.000 0.286 566 Y C 2.057 177.876 175.900 -0.135 0.000 1.145 566 Y CA 0.928 59.079 58.100 0.084 0.000 1.148 566 Y CB -0.821 37.653 38.460 0.024 0.000 0.981 566 Y HN 0.146 nan 8.280 nan 0.000 0.507 567 L N 0.128 120.814 121.223 -0.895 0.000 2.079 567 L HA -0.249 3.655 4.340 -0.727 0.000 0.210 567 L C 2.743 179.318 176.870 -0.492 0.000 1.081 567 L CA 1.439 55.727 54.840 -0.920 0.000 0.752 567 L CB -0.928 40.627 42.059 -0.839 0.000 0.896 567 L HN 0.444 nan 8.230 nan 0.000 0.433 568 A N -1.500 121.125 122.820 -0.325 0.000 1.903 568 A HA -0.129 3.755 4.320 -0.727 0.000 0.213 568 A C 2.447 179.942 177.584 -0.148 0.000 1.185 568 A CA 1.349 53.265 52.037 -0.203 0.000 0.628 568 A CB -0.432 18.463 19.000 -0.175 0.000 0.830 568 A HN 0.301 nan 8.150 nan 0.000 0.446 569 S N -1.359 114.274 115.700 -0.113 0.000 2.481 569 S HA -0.049 3.985 4.470 -0.727 0.000 0.231 569 S C 1.601 176.201 174.600 -0.000 0.000 0.996 569 S CA 1.927 60.112 58.200 -0.024 0.000 0.942 569 S CB -0.183 63.066 63.200 0.081 0.000 0.768 569 S HN 0.550 nan 8.310 nan 0.000 0.520 570 T N 0.448 114.954 114.554 -0.080 0.000 3.058 570 T HA 0.232 4.146 4.350 -0.727 0.000 0.247 570 T C 0.978 175.627 174.700 -0.086 0.000 0.987 570 T CA 0.035 62.116 62.100 -0.031 0.000 1.062 570 T CB 0.112 69.040 68.868 0.101 0.000 1.048 570 T HN 0.235 nan 8.240 nan 0.000 0.468 571 E N 1.710 121.775 120.200 -0.225 0.000 2.465 571 E HA 0.211 4.125 4.350 -0.727 0.000 0.195 571 E C -0.294 176.281 176.600 -0.041 0.000 1.028 571 E CA -0.140 56.182 56.400 -0.130 0.000 0.899 571 E CB -0.350 29.222 29.700 -0.213 0.000 1.032 571 E HN 0.549 nan 8.360 nan 0.000 0.468 572 N N 1.040 119.725 118.700 -0.026 0.000 2.714 572 N HA -0.202 4.102 4.740 -0.727 0.000 0.252 572 N C -0.735 174.836 175.510 0.101 0.000 1.014 572 N CA 0.242 53.338 53.050 0.077 0.000 0.735 572 N CB -1.170 37.420 38.487 0.171 0.000 0.924 572 N HN 0.251 nan 8.380 nan 0.000 0.540 573 I N 0.835 121.397 120.570 -0.014 0.000 2.377 573 I HA 0.347 4.081 4.170 -0.727 0.000 0.293 573 I C 0.566 176.653 176.117 -0.050 0.000 0.987 573 I CA -0.827 60.476 61.300 0.005 0.000 1.185 573 I CB 1.427 39.433 38.000 0.010 0.000 1.341 573 I HN 0.052 nan 8.210 nan 0.000 0.455 574 I N 6.538 127.093 120.570 -0.024 0.000 2.416 574 I HA 0.167 3.901 4.170 -0.727 0.000 0.288 574 I C -0.426 175.679 176.117 -0.020 0.000 1.051 574 I CA -0.331 60.923 61.300 -0.076 0.000 1.375 574 I CB 1.094 39.075 38.000 -0.031 0.000 1.407 574 I HN 0.227 nan 8.210 nan 0.000 0.516 575 V N 6.939 126.829 119.914 -0.040 0.000 2.378 575 V HA 0.669 4.353 4.120 -0.727 0.000 0.288 575 V C 0.241 176.367 176.094 0.053 0.000 1.016 575 V CA -0.405 61.920 62.300 0.042 0.000 0.840 575 V CB 1.162 33.002 31.823 0.029 0.000 0.994 575 V HN 0.844 nan 8.190 nan 0.000 0.431 576 A N 3.954 126.837 122.820 0.106 0.000 2.387 576 A HA 0.998 4.882 4.320 -0.727 0.000 0.303 576 A C -0.326 177.443 177.584 0.308 0.000 1.145 576 A CA -0.589 51.528 52.037 0.133 0.000 0.801 576 A CB 2.055 20.967 19.000 -0.147 0.000 1.342 576 A HN 0.688 nan 8.150 nan 0.000 0.440 577 S N -0.711 115.229 115.700 0.400 0.000 2.564 577 S HA 0.753 4.787 4.470 -0.727 0.000 0.274 577 S C -1.646 173.331 174.600 0.629 0.000 1.124 577 S CA -0.305 58.162 58.200 0.444 0.000 0.869 577 S CB 1.441 64.842 63.200 0.335 0.000 1.105 577 S HN 0.854 nan 8.310 nan 0.000 0.472 578 F N 1.937 122.108 119.950 0.369 0.000 2.561 578 F HA 0.460 4.551 4.527 -0.727 0.000 0.313 578 F C -1.593 174.394 175.800 0.313 0.000 1.126 578 F CA -0.954 57.271 58.000 0.375 0.000 0.918 578 F CB 1.486 40.662 39.000 0.293 0.000 1.199 578 F HN 0.420 nan 8.300 nan 0.000 0.444 579 D N 4.976 125.274 120.400 -0.171 0.000 2.467 579 D HA 0.376 4.580 4.640 -0.727 0.000 0.220 579 D C 0.387 176.435 176.300 -0.420 0.000 1.103 579 D CA 0.100 54.013 54.000 -0.144 0.000 0.886 579 D CB 1.418 42.259 40.800 0.069 0.000 1.025 579 D HN 0.747 nan 8.370 nan 0.000 0.514 580 G N 1.051 109.592 108.800 -0.432 0.000 2.782 580 G HA2 0.280 3.804 3.960 -0.727 0.000 0.201 580 G HA3 0.280 3.804 3.960 -0.727 0.000 0.201 580 G C 0.091 175.033 174.900 0.071 0.000 1.374 580 G CA -0.771 44.153 45.100 -0.294 0.000 1.039 580 G HN 0.265 nan 8.290 nan 0.000 0.576 581 R N -0.380 120.147 120.500 0.045 0.000 2.537 581 R HA 0.343 4.247 4.340 -0.727 0.000 0.281 581 R C 1.252 177.615 176.300 0.105 0.000 0.988 581 R CA 1.668 57.837 56.100 0.115 0.000 1.077 581 R CB 0.320 30.625 30.300 0.007 0.000 0.932 581 R HN 1.040 nan 8.270 nan 0.000 0.409 582 G N 1.369 110.220 108.800 0.084 0.000 2.349 582 G HA2 -0.338 3.187 3.960 -0.727 0.000 0.213 582 G HA3 -0.338 3.187 3.960 -0.727 0.000 0.213 582 G C 0.224 175.124 174.900 0.001 0.000 1.044 582 G CA 0.038 45.176 45.100 0.063 0.000 0.633 582 G HN 0.765 nan 8.290 nan 0.000 0.506 583 S N 0.717 116.417 115.700 -0.001 0.000 2.592 583 S HA 0.580 4.614 4.470 -0.727 0.000 0.256 583 S C 0.873 175.398 174.600 -0.124 0.000 1.369 583 S CA 1.095 59.270 58.200 -0.041 0.000 0.984 583 S CB 1.344 64.547 63.200 0.006 0.000 0.919 583 S HN 1.931 nan 8.310 nan 0.000 0.576 584 G N -1.347 107.299 108.800 -0.256 0.000 3.211 584 G HA2 0.526 4.050 3.960 -0.727 0.000 0.262 584 G HA3 0.526 4.050 3.960 -0.727 0.000 0.262 584 G C -1.144 173.537 174.900 -0.365 0.000 1.352 584 G CA -0.769 44.065 45.100 -0.443 0.000 1.004 584 G HN 0.918 nan 8.290 nan 0.000 0.559 585 Y N -1.777 118.482 120.300 -0.068 0.000 4.490 585 Y HA -0.198 3.916 4.550 -0.727 0.000 0.233 585 Y C 1.308 177.173 175.900 -0.058 0.000 1.101 585 Y CA 0.933 59.003 58.100 -0.051 0.000 2.010 585 Y CB -2.322 36.135 38.460 -0.004 0.000 1.622 585 Y HN 0.558 nan 8.280 nan 0.000 0.675 586 Q N -0.556 119.219 119.800 -0.042 0.000 2.028 586 Q HA 0.508 4.412 4.340 -0.727 0.000 0.207 586 Q C 0.828 176.605 176.000 -0.373 0.000 0.776 586 Q CA 0.214 55.972 55.803 -0.076 0.000 1.015 586 Q CB 1.898 30.605 28.738 -0.052 0.000 1.215 586 Q HN 0.605 nan 8.270 nan 0.000 0.445 587 G N 0.833 109.293 108.800 -0.566 0.000 2.617 587 G HA2 -0.142 3.382 3.960 -0.727 0.000 0.686 587 G HA3 -0.142 3.382 3.960 -0.727 0.000 0.686 587 G C -0.637 173.868 174.900 -0.659 0.000 1.214 587 G CA -0.652 43.874 45.100 -0.956 0.000 0.796 587 G HN 0.044 nan 8.290 nan 0.000 0.654 588 D N 0.067 120.047 120.400 -0.700 0.000 2.310 588 D HA -0.042 4.162 4.640 -0.727 0.000 0.212 588 D C 2.075 178.088 176.300 -0.477 0.000 0.965 588 D CA 1.064 54.585 54.000 -0.798 0.000 0.879 588 D CB 0.170 40.400 40.800 -0.951 0.000 0.921 588 D HN 0.572 nan 8.370 nan 0.000 0.510 589 K N 0.111 120.289 120.400 -0.370 0.000 2.365 589 K HA 0.047 3.931 4.320 -0.727 0.000 0.199 589 K C 1.750 178.248 176.600 -0.170 0.000 1.045 589 K CA 0.431 56.589 56.287 -0.214 0.000 0.962 589 K CB 0.224 32.626 32.500 -0.164 0.000 0.759 589 K HN 0.109 nan 8.250 nan 0.000 0.469 590 I N -0.504 119.939 120.570 -0.212 0.000 3.300 590 I HA -0.071 3.663 4.170 -0.727 0.000 0.279 590 I C 2.092 178.158 176.117 -0.086 0.000 1.172 590 I CA 0.099 61.330 61.300 -0.114 0.000 1.431 590 I CB 0.138 38.057 38.000 -0.136 0.000 1.240 590 I HN 0.199 nan 8.210 nan 0.000 0.453 591 M N 0.347 119.839 119.600 -0.180 0.000 2.081 591 M HA -0.209 3.835 4.480 -0.727 0.000 0.261 591 M C 1.829 178.161 176.300 0.052 0.000 1.075 591 M CA 1.993 57.230 55.300 -0.104 0.000 1.133 591 M CB -0.358 32.101 32.600 -0.234 0.000 1.330 591 M HN 0.213 nan 8.290 nan 0.000 0.414 592 H N -0.206 118.732 119.070 -0.220 0.000 2.568 592 H HA 0.072 4.192 4.556 -0.727 0.000 0.275 592 H C 1.782 177.083 175.328 -0.046 0.000 1.028 592 H CA 0.037 55.950 56.048 -0.226 0.000 1.173 592 H CB -0.050 29.490 29.762 -0.369 0.000 1.335 592 H HN 0.549 nan 8.280 nan 0.000 0.614 593 A N 1.537 124.409 122.820 0.086 0.000 1.978 593 A HA -0.138 3.746 4.320 -0.727 0.000 0.220 593 A C 2.005 179.716 177.584 0.212 0.000 1.170 593 A CA 1.172 53.235 52.037 0.044 0.000 0.636 593 A CB -0.554 18.400 19.000 -0.077 0.000 0.810 593 A HN 0.580 nan 8.150 nan 0.000 0.448 594 I N -3.067 117.664 120.570 0.269 0.000 3.889 594 I HA 0.205 3.939 4.170 -0.727 0.000 0.332 594 I C 0.255 176.499 176.117 0.213 0.000 1.493 594 I CA -0.568 60.914 61.300 0.302 0.000 1.158 594 I CB -0.456 37.696 38.000 0.254 0.000 1.117 594 I HN 0.208 nan 8.210 nan 0.000 0.411 595 N N 2.764 121.603 118.700 0.231 0.000 2.454 595 N HA 0.002 4.306 4.740 -0.727 0.000 0.260 595 N C 0.399 175.966 175.510 0.096 0.000 1.218 595 N CA 0.198 53.395 53.050 0.245 0.000 0.904 595 N CB 0.415 38.999 38.487 0.161 0.000 1.065 595 N HN 0.434 nan 8.380 nan 0.000 0.462 596 R N 0.360 120.891 120.500 0.052 0.000 3.977 596 R HA -0.170 3.734 4.340 -0.727 0.000 0.428 596 R C -0.324 175.797 176.300 -0.297 0.000 1.079 596 R CA 1.037 57.096 56.100 -0.070 0.000 1.269 596 R CB -0.720 29.559 30.300 -0.034 0.000 1.856 596 R HN 0.567 nan 8.270 nan 0.000 0.551 597 R N 0.982 121.315 120.500 -0.279 0.000 2.989 597 R HA 0.375 4.279 4.340 -0.727 0.000 0.340 597 R C -0.421 175.809 176.300 -0.117 0.000 1.205 597 R CA -0.239 55.513 56.100 -0.580 0.000 1.235 597 R CB 0.278 30.369 30.300 -0.349 0.000 1.394 597 R HN 0.114 nan 8.270 nan 0.000 0.598 598 L N -0.615 120.668 121.223 0.099 0.000 2.473 598 L HA 0.247 4.152 4.340 -0.727 0.000 0.268 598 L C 1.365 178.555 176.870 0.534 0.000 1.215 598 L CA 0.660 55.678 54.840 0.297 0.000 0.823 598 L CB 0.505 42.624 42.059 0.100 0.000 1.099 598 L HN 0.685 nan 8.230 nan 0.000 0.483 599 G N 0.364 109.475 108.800 0.518 0.000 2.147 599 G HA2 -0.280 3.244 3.960 -0.727 0.000 0.244 599 G HA3 -0.280 3.244 3.960 -0.727 0.000 0.244 599 G C 0.360 175.355 174.900 0.159 0.000 1.005 599 G CA 0.574 45.875 45.100 0.335 0.000 0.713 599 G HN 0.887 nan 8.290 nan 0.000 0.515 600 T N -4.012 110.623 114.554 0.134 0.000 2.639 600 T HA 0.508 4.423 4.350 -0.727 0.000 0.156 600 T C 1.545 176.244 174.700 -0.002 0.000 0.817 600 T CA 0.794 62.875 62.100 -0.032 0.000 0.914 600 T CB 0.031 68.757 68.868 -0.237 0.000 2.461 600 T HN 0.237 nan 8.240 nan 0.000 0.367 601 F N 3.683 123.687 119.950 0.089 0.000 2.048 601 F HA -0.144 3.947 4.527 -0.726 0.000 0.296 601 F C 2.842 178.681 175.800 0.065 0.000 1.109 601 F CA 2.130 60.167 58.000 0.062 0.000 1.214 601 F CB -0.835 38.198 39.000 0.055 0.000 0.963 601 F HN 0.595 nan 8.300 nan 0.000 0.491 602 E N 0.765 121.140 120.200 0.291 0.000 2.267 602 E HA -0.157 3.757 4.350 -0.727 0.000 0.197 602 E C 2.082 178.790 176.600 0.179 0.000 0.998 602 E CA 1.638 58.164 56.400 0.210 0.000 0.830 602 E CB -1.131 28.691 29.700 0.203 0.000 0.751 602 E HN 0.334 nan 8.360 nan 0.000 0.491 603 V N 1.419 121.419 119.914 0.143 0.000 2.283 603 V HA -0.156 3.528 4.120 -0.727 0.000 0.239 603 V C 2.358 178.498 176.094 0.077 0.000 1.035 603 V CA 1.658 64.001 62.300 0.071 0.000 1.018 603 V CB -0.618 31.203 31.823 -0.004 0.000 0.658 603 V HN 0.164 nan 8.190 nan 0.000 0.459 604 E N 0.308 120.555 120.200 0.078 0.000 2.136 604 E HA -0.299 3.615 4.350 -0.727 0.000 0.202 604 E C 1.896 178.543 176.600 0.079 0.000 1.019 604 E CA 1.845 58.290 56.400 0.074 0.000 0.819 604 E CB -0.183 29.575 29.700 0.097 0.000 0.739 604 E HN 0.595 nan 8.360 nan 0.000 0.458 605 D N 0.119 120.589 120.400 0.117 0.000 2.084 605 D HA -0.153 4.051 4.640 -0.727 0.000 0.196 605 D C 1.997 178.377 176.300 0.133 0.000 0.985 605 D CA 0.926 54.995 54.000 0.115 0.000 0.826 605 D CB -0.347 40.543 40.800 0.151 0.000 0.978 605 D HN 0.032 nan 8.370 nan 0.000 0.456 606 Q N 0.470 120.396 119.800 0.211 0.000 2.217 606 Q HA -0.139 3.766 4.340 -0.727 0.000 0.209 606 Q C 2.144 178.212 176.000 0.113 0.000 0.988 606 Q CA 1.036 56.970 55.803 0.218 0.000 0.878 606 Q CB -0.271 28.587 28.738 0.200 0.000 0.909 606 Q HN 0.378 nan 8.270 nan 0.000 0.424 607 I N -0.401 120.238 120.570 0.114 0.000 2.163 607 I HA -0.233 3.501 4.170 -0.727 0.000 0.240 607 I C 2.244 178.325 176.117 -0.060 0.000 1.081 607 I CA 1.290 62.678 61.300 0.147 0.000 1.353 607 I CB -0.377 37.700 38.000 0.129 0.000 1.054 607 I HN 0.221 nan 8.210 nan 0.000 0.407 608 E N 1.666 121.793 120.200 -0.122 0.000 2.130 608 E HA -0.257 3.657 4.350 -0.727 0.000 0.196 608 E C 2.040 178.377 176.600 -0.438 0.000 0.998 608 E CA 1.908 58.171 56.400 -0.228 0.000 0.806 608 E CB -0.223 29.362 29.700 -0.191 0.000 0.738 608 E HN 0.446 nan 8.360 nan 0.000 0.459 609 A N 0.385 122.818 122.820 -0.644 0.000 1.972 609 A HA 0.015 3.899 4.320 -0.727 0.000 0.219 609 A C 2.399 179.292 177.584 -1.152 0.000 1.169 609 A CA 1.919 53.237 52.037 -1.197 0.000 0.635 609 A CB -0.830 17.244 19.000 -1.544 0.000 0.810 609 A HN 0.392 nan 8.150 nan 0.000 0.446 610 A N 0.021 122.547 122.820 -0.490 0.000 1.873 610 A HA -0.129 3.755 4.320 -0.727 0.000 0.215 610 A C 2.209 179.615 177.584 -0.298 0.000 1.186 610 A CA 1.357 53.257 52.037 -0.229 0.000 0.616 610 A CB -0.463 18.425 19.000 -0.187 0.000 0.823 610 A HN 0.524 nan 8.150 nan 0.000 0.442 611 R N -0.693 119.617 120.500 -0.317 0.000 2.152 611 R HA -0.120 3.784 4.340 -0.727 0.000 0.232 611 R C 2.273 178.407 176.300 -0.277 0.000 1.117 611 R CA 1.303 57.247 56.100 -0.260 0.000 0.981 611 R CB -0.199 29.972 30.300 -0.215 0.000 0.870 611 R HN 0.544 nan 8.270 nan 0.000 0.451 612 Q N -0.321 119.226 119.800 -0.423 0.000 2.083 612 Q HA -0.070 3.834 4.340 -0.727 0.000 0.198 612 Q C 2.009 177.840 176.000 -0.282 0.000 0.969 612 Q CA 1.251 56.807 55.803 -0.411 0.000 0.838 612 Q CB -0.143 28.226 28.738 -0.615 0.000 0.900 612 Q HN 0.256 nan 8.270 nan 0.000 0.436 613 F N 1.642 121.415 119.950 -0.294 0.000 2.102 613 F HA -0.181 3.910 4.527 -0.727 0.000 0.298 613 F C 2.725 178.337 175.800 -0.314 0.000 1.105 613 F CA 1.348 59.171 58.000 -0.295 0.000 1.239 613 F CB -1.470 37.399 39.000 -0.218 0.000 0.991 613 F HN 0.076 nan 8.300 nan 0.000 0.474 614 S N 0.060 115.727 115.700 -0.056 0.000 2.383 614 S HA -0.207 3.827 4.470 -0.727 0.000 0.229 614 S C 1.998 176.500 174.600 -0.164 0.000 1.030 614 S CA 0.954 59.077 58.200 -0.129 0.000 1.002 614 S CB -0.461 62.662 63.200 -0.127 0.000 0.829 614 S HN 0.178 nan 8.310 nan 0.000 0.467 615 K N 1.899 122.208 120.400 -0.153 0.000 2.020 615 K HA 0.006 3.890 4.320 -0.727 0.000 0.212 615 K C 2.140 178.643 176.600 -0.161 0.000 1.050 615 K CA 1.681 57.886 56.287 -0.137 0.000 0.929 615 K CB -1.047 31.378 32.500 -0.125 0.000 0.714 615 K HN 0.502 nan 8.250 nan 0.000 0.443 616 M N -0.742 118.730 119.600 -0.215 0.000 2.195 616 M HA -0.234 3.810 4.480 -0.727 0.000 0.254 616 M C 1.320 177.432 176.300 -0.313 0.000 1.083 616 M CA 1.960 57.088 55.300 -0.285 0.000 1.069 616 M CB -0.589 31.721 32.600 -0.484 0.000 1.364 616 M HN 0.538 nan 8.290 nan 0.000 0.403 617 G N -0.357 108.241 108.800 -0.336 0.000 2.159 617 G HA2 -0.250 3.275 3.960 -0.727 0.000 0.227 617 G HA3 -0.250 3.275 3.960 -0.727 0.000 0.227 617 G C 0.216 175.097 174.900 -0.032 0.000 0.986 617 G CA 0.072 45.080 45.100 -0.153 0.000 0.651 617 G HN 0.634 nan 8.290 nan 0.000 0.523 618 F N -0.960 119.051 119.950 0.101 0.000 2.815 618 F HA 0.729 4.820 4.527 -0.727 0.000 0.335 618 F C -0.289 175.624 175.800 0.189 0.000 1.179 618 F CA -1.447 56.644 58.000 0.151 0.000 1.204 618 F CB 0.248 39.412 39.000 0.272 0.000 1.050 618 F HN 0.078 nan 8.300 nan 0.000 0.510 619 V N 1.242 121.165 119.914 0.014 0.000 2.443 619 V HA 0.226 3.910 4.120 -0.727 0.000 0.293 619 V C -0.606 175.468 176.094 -0.033 0.000 1.021 619 V CA -0.683 61.628 62.300 0.018 0.000 0.848 619 V CB 1.634 33.412 31.823 -0.076 0.000 0.998 619 V HN 0.155 nan 8.190 nan 0.000 0.424 620 D N 4.519 124.897 120.400 -0.038 0.000 2.429 620 D HA 0.014 4.218 4.640 -0.727 0.000 0.253 620 D C 1.389 177.631 176.300 -0.097 0.000 1.294 620 D CA 0.329 54.280 54.000 -0.083 0.000 1.063 620 D CB 0.220 40.946 40.800 -0.123 0.000 1.096 620 D HN 0.492 nan 8.370 nan 0.000 0.516 621 N N 2.909 121.556 118.700 -0.088 0.000 2.144 621 N HA -0.245 4.060 4.740 -0.727 0.000 0.195 621 N C 1.125 176.585 175.510 -0.083 0.000 1.006 621 N CA 1.194 54.187 53.050 -0.095 0.000 0.880 621 N CB 0.065 38.499 38.487 -0.088 0.000 1.018 621 N HN 0.538 nan 8.380 nan 0.000 0.443 622 K N 0.391 120.749 120.400 -0.070 0.000 2.439 622 K HA 0.019 3.903 4.320 -0.727 0.000 0.197 622 K C 0.254 176.836 176.600 -0.031 0.000 1.041 622 K CA 0.552 56.813 56.287 -0.043 0.000 0.970 622 K CB 0.205 32.684 32.500 -0.036 0.000 0.773 622 K HN 0.091 nan 8.250 nan 0.000 0.479 623 R N 0.980 121.419 120.500 -0.102 0.000 2.547 623 R HA 0.378 4.282 4.340 -0.727 0.000 0.280 623 R C -1.148 175.037 176.300 -0.192 0.000 1.630 623 R CA -0.040 55.939 56.100 -0.201 0.000 1.470 623 R CB 0.805 30.748 30.300 -0.594 0.000 1.178 623 R HN -0.027 nan 8.270 nan 0.000 0.591 624 I N 1.345 121.985 120.570 0.117 0.000 2.478 624 I HA 0.638 4.372 4.170 -0.727 0.000 0.287 624 I C -0.538 175.888 176.117 0.514 0.000 1.042 624 I CA -0.801 60.629 61.300 0.218 0.000 1.067 624 I CB 2.107 40.097 38.000 -0.017 0.000 1.233 624 I HN 0.460 nan 8.210 nan 0.000 0.431 625 A N 6.935 130.152 122.820 0.661 0.000 2.454 625 A HA 0.880 4.764 4.320 -0.727 0.000 0.302 625 A C -1.376 176.525 177.584 0.529 0.000 1.079 625 A CA -0.564 51.819 52.037 0.577 0.000 0.731 625 A CB 2.030 21.250 19.000 0.366 0.000 1.299 625 A HN 0.717 nan 8.150 nan 0.000 0.413 626 I N 1.449 122.215 120.570 0.327 0.000 2.740 626 I HA 0.823 4.557 4.170 -0.727 0.000 0.303 626 I C -1.729 174.599 176.117 0.352 0.000 1.044 626 I CA -0.705 60.711 61.300 0.193 0.000 1.064 626 I CB 1.684 39.477 38.000 -0.346 0.000 1.249 626 I HN 0.875 nan 8.210 nan 0.000 0.433 627 W N 6.944 128.353 121.300 0.182 0.000 3.615 627 W HA 0.705 4.926 4.660 -0.731 0.000 0.319 627 W C -1.266 175.397 176.519 0.239 0.000 1.172 627 W CA -0.956 56.525 57.345 0.227 0.000 1.240 627 W CB 0.421 30.074 29.460 0.322 0.000 1.313 627 W HN 0.730 nan 8.180 nan 0.000 0.487 628 G N 2.035 110.691 108.800 -0.239 0.000 3.211 628 G HA2 0.760 4.284 3.960 -0.727 0.000 0.262 628 G HA3 0.760 4.284 3.960 -0.727 0.000 0.262 628 G C -2.355 172.436 174.900 -0.182 0.000 1.352 628 G CA -0.709 44.142 45.100 -0.415 0.000 1.004 628 G HN 0.654 nan 8.290 nan 0.000 0.559 629 W N -0.238 120.898 121.300 -0.273 0.000 3.800 629 W HA 0.496 4.727 4.660 -0.716 0.000 0.299 629 W C 0.286 176.765 176.519 -0.067 0.000 1.231 629 W CA 0.040 57.305 57.345 -0.133 0.000 1.232 629 W CB 1.135 30.539 29.460 -0.093 0.000 1.291 629 W HN 1.353 nan 8.180 nan 0.000 0.514 630 S N 2.757 118.659 115.700 0.336 0.000 4.074 630 S HA -0.414 3.620 4.470 -0.727 0.000 0.626 630 S C 0.945 175.596 174.600 0.085 0.000 1.989 630 S CA 1.635 60.043 58.200 0.347 0.000 4.158 630 S CB -1.807 61.740 63.200 0.577 0.000 0.211 630 S HN 1.016 nan 8.310 nan 0.000 0.599 631 Y N 2.443 122.679 120.300 -0.107 0.000 2.114 631 Y HA -0.027 4.088 4.550 -0.724 0.000 0.282 631 Y C 2.418 178.195 175.900 -0.206 0.000 1.165 631 Y CA 3.054 61.042 58.100 -0.185 0.000 1.148 631 Y CB -1.218 37.025 38.460 -0.362 0.000 0.972 631 Y HN 0.616 nan 8.280 nan 0.000 0.504 632 G N -0.698 107.991 108.800 -0.184 0.000 2.491 632 G HA2 -0.325 3.199 3.960 -0.727 0.000 0.218 632 G HA3 -0.325 3.199 3.960 -0.727 0.000 0.218 632 G C 1.996 176.877 174.900 -0.032 0.000 1.180 632 G CA 1.010 46.049 45.100 -0.103 0.000 0.774 632 G HN 0.630 nan 8.290 nan 0.000 0.562 633 G N -0.143 108.653 108.800 -0.007 0.000 2.503 633 G HA2 -0.334 3.190 3.960 -0.727 0.000 0.221 633 G HA3 -0.334 3.190 3.960 -0.727 0.000 0.221 633 G C 1.669 176.574 174.900 0.009 0.000 1.131 633 G CA 1.377 46.475 45.100 -0.003 0.000 0.756 633 G HN 0.516 nan 8.290 nan 0.000 0.572 634 Y N 1.154 121.343 120.300 -0.186 0.000 2.200 634 Y HA -0.031 4.082 4.550 -0.728 0.000 0.290 634 Y C 2.669 178.471 175.900 -0.163 0.000 1.137 634 Y CA 1.373 59.316 58.100 -0.261 0.000 1.163 634 Y CB -0.306 37.841 38.460 -0.521 0.000 0.988 634 Y HN 0.042 nan 8.280 nan 0.000 0.518 635 V N -0.393 119.373 119.914 -0.246 0.000 2.453 635 V HA -0.249 3.435 4.120 -0.727 0.000 0.247 635 V C 2.271 178.232 176.094 -0.222 0.000 1.048 635 V CA 2.219 64.355 62.300 -0.275 0.000 1.049 635 V CB -1.140 30.676 31.823 -0.012 0.000 0.672 635 V HN 0.444 nan 8.190 nan 0.000 0.457 636 T N 0.201 114.668 114.554 -0.145 0.000 2.665 636 T HA -0.215 3.699 4.350 -0.727 0.000 0.268 636 T C 2.147 176.735 174.700 -0.186 0.000 1.035 636 T CA 2.096 64.110 62.100 -0.144 0.000 1.151 636 T CB -0.287 68.565 68.868 -0.027 0.000 0.862 636 T HN 0.520 nan 8.240 nan 0.000 0.438 637 S N 1.011 116.639 115.700 -0.120 0.000 2.368 637 S HA -0.004 4.030 4.470 -0.727 0.000 0.225 637 S C 2.140 176.638 174.600 -0.169 0.000 1.030 637 S CA 0.928 59.076 58.200 -0.086 0.000 0.999 637 S CB -0.277 62.965 63.200 0.070 0.000 0.844 637 S HN 0.320 nan 8.310 nan 0.000 0.459 638 M N 0.975 120.418 119.600 -0.263 0.000 2.175 638 M HA -0.015 4.029 4.480 -0.727 0.000 0.264 638 M C 2.193 178.346 176.300 -0.245 0.000 1.063 638 M CA 1.041 56.180 55.300 -0.269 0.000 1.119 638 M CB -1.330 31.020 32.600 -0.418 0.000 1.377 638 M HN 0.174 nan 8.290 nan 0.000 0.415 639 V N 0.593 120.343 119.914 -0.274 0.000 2.490 639 V HA -0.230 3.454 4.120 -0.727 0.000 0.250 639 V C 2.383 178.294 176.094 -0.306 0.000 1.061 639 V CA 1.323 63.462 62.300 -0.268 0.000 1.064 639 V CB -0.617 30.982 31.823 -0.374 0.000 0.670 639 V HN 0.413 nan 8.190 nan 0.000 0.461 640 L N 0.053 120.999 121.223 -0.461 0.000 2.341 640 L HA 0.112 4.016 4.340 -0.727 0.000 0.214 640 L C 2.317 178.734 176.870 -0.754 0.000 1.115 640 L CA 1.193 55.674 54.840 -0.598 0.000 0.820 640 L CB -0.589 40.969 42.059 -0.836 0.000 0.944 640 L HN 0.436 nan 8.230 nan 0.000 0.452 641 G N -0.904 107.478 108.800 -0.696 0.000 2.939 641 G HA2 -0.099 3.425 3.960 -0.727 0.000 0.210 641 G HA3 -0.099 3.425 3.960 -0.727 0.000 0.210 641 G C 1.656 176.458 174.900 -0.163 0.000 1.160 641 G CA 0.608 45.470 45.100 -0.396 0.000 0.770 641 G HN 0.406 nan 8.290 nan 0.000 0.543 642 S N 0.340 115.941 115.700 -0.165 0.000 2.380 642 S HA 0.070 4.104 4.470 -0.727 0.000 0.229 642 S C 2.117 176.686 174.600 -0.052 0.000 1.043 642 S CA 1.581 59.732 58.200 -0.082 0.000 1.038 642 S CB -0.681 62.486 63.200 -0.053 0.000 0.872 642 S HN 1.583 nan 8.310 nan 0.000 0.456 643 G N 0.508 109.271 108.800 -0.062 0.000 2.132 643 G HA2 -0.284 3.241 3.960 -0.727 0.000 0.234 643 G HA3 -0.284 3.241 3.960 -0.727 0.000 0.234 643 G C 0.789 175.680 174.900 -0.015 0.000 0.989 643 G CA 0.892 45.971 45.100 -0.035 0.000 0.676 643 G HN 1.523 nan 8.290 nan 0.000 0.522 644 S N -0.143 115.557 115.700 0.000 0.000 2.603 644 S HA 0.339 4.373 4.470 -0.727 0.000 0.229 644 S C 2.417 177.014 174.600 -0.005 0.000 0.972 644 S CA 1.300 59.506 58.200 0.010 0.000 0.935 644 S CB -0.212 63.018 63.200 0.051 0.000 0.769 644 S HN 2.281 nan 8.310 nan 0.000 0.536 645 G N 0.674 109.474 108.800 0.000 0.000 2.243 645 G HA2 -0.338 3.186 3.960 -0.727 0.000 0.276 645 G HA3 -0.338 3.186 3.960 -0.727 0.000 0.276 645 G C 0.817 175.690 174.900 -0.045 0.000 0.997 645 G CA 0.741 45.834 45.100 -0.012 0.000 0.693 645 G HN 0.655 nan 8.290 nan 0.000 0.529 646 V N -0.910 118.959 119.914 -0.075 0.000 2.323 646 V HA 0.198 3.883 4.120 -0.727 0.000 0.244 646 V C 1.481 177.337 176.094 -0.397 0.000 1.041 646 V CA 1.571 63.699 62.300 -0.287 0.000 1.025 646 V CB -0.424 31.126 31.823 -0.455 0.000 0.656 646 V HN 0.294 nan 8.190 nan 0.000 0.451 647 F N -0.225 119.725 119.950 -0.000 0.000 2.399 647 F HA 0.389 4.481 4.527 -0.724 0.000 0.328 647 F C 1.199 177.024 175.800 0.041 0.000 1.084 647 F CA -0.298 57.724 58.000 0.036 0.000 1.053 647 F CB 1.165 40.186 39.000 0.034 0.000 1.209 647 F HN -0.248 nan 8.300 nan 0.000 0.502 648 K N 0.786 121.348 120.400 0.271 0.000 2.102 648 K HA 0.136 4.020 4.320 -0.727 0.000 0.206 648 K C 0.120 176.831 176.600 0.184 0.000 1.031 648 K CA 0.873 57.275 56.287 0.193 0.000 0.962 648 K CB 0.236 32.858 32.500 0.204 0.000 0.811 648 K HN 0.802 nan 8.250 nan 0.000 0.453 649 c N -1.812 116.912 118.600 0.207 0.000 3.161 649 c HA 0.948 5.082 4.570 -0.727 0.000 0.330 649 c C 0.125 174.374 174.090 0.264 0.000 1.396 649 c CA -0.505 55.936 56.329 0.186 0.000 1.536 649 c CB 1.051 43.541 42.510 -0.033 0.000 1.978 649 c HN 0.508 nan 8.230 nan 0.000 0.454 650 G N -0.325 108.723 108.800 0.414 0.000 2.576 650 G HA2 0.715 4.240 3.960 -0.727 0.000 0.290 650 G HA3 0.715 4.240 3.960 -0.727 0.000 0.290 650 G C -2.026 173.224 174.900 0.584 0.000 1.442 650 G CA -0.704 44.644 45.100 0.414 0.000 0.792 650 G HN 1.001 nan 8.290 nan 0.000 0.491 651 I N -0.011 120.862 120.570 0.505 0.000 2.619 651 I HA 0.636 4.370 4.170 -0.727 0.000 0.292 651 I C -0.176 176.166 176.117 0.374 0.000 1.100 651 I CA -1.087 60.455 61.300 0.404 0.000 1.043 651 I CB 2.535 40.786 38.000 0.417 0.000 1.239 651 I HN 0.712 nan 8.210 nan 0.000 0.420 652 A N 6.027 128.991 122.820 0.240 0.000 2.646 652 A HA 0.662 4.546 4.320 -0.727 0.000 0.312 652 A C -0.723 176.828 177.584 -0.056 0.000 1.245 652 A CA -0.467 51.657 52.037 0.144 0.000 0.755 652 A CB 0.670 19.816 19.000 0.244 0.000 1.132 652 A HN 0.410 nan 8.150 nan 0.000 0.458 653 V N 1.876 121.689 119.914 -0.167 0.000 2.488 653 V HA 0.445 4.129 4.120 -0.727 0.000 0.277 653 V C 1.351 176.986 176.094 -0.765 0.000 1.046 653 V CA 0.616 62.561 62.300 -0.591 0.000 0.986 653 V CB 0.510 31.690 31.823 -1.071 0.000 0.989 653 V HN 2.025 nan 8.190 nan 0.000 0.475 654 A N 5.359 127.721 122.820 -0.763 0.000 2.665 654 A HA -0.124 3.760 4.320 -0.727 0.000 0.301 654 A C -1.168 176.231 177.584 -0.309 0.000 1.509 654 A CA 0.624 52.161 52.037 -0.834 0.000 0.789 654 A CB -1.775 16.702 19.000 -0.872 0.000 1.024 654 A HN 0.708 nan 8.150 nan 0.000 0.460 655 P HA 0.348 nan 4.420 nan 0.000 0.272 655 P C 0.025 177.246 177.300 -0.132 0.000 1.240 655 P CA -0.078 62.971 63.100 -0.085 0.000 0.791 655 P CB 0.969 32.656 31.700 -0.021 0.000 0.978 656 V N 1.769 121.493 119.914 -0.318 0.000 2.465 656 V HA 0.065 3.749 4.120 -0.727 0.000 0.279 656 V C 1.776 177.579 176.094 -0.486 0.000 1.045 656 V CA 0.389 62.330 62.300 -0.597 0.000 0.938 656 V CB 0.743 31.780 31.823 -1.310 0.000 0.986 656 V HN 0.727 nan 8.190 nan 0.000 0.467 657 S N 4.826 120.331 115.700 -0.326 0.000 2.412 657 S HA 0.125 4.159 4.470 -0.727 0.000 0.223 657 S C 0.719 175.120 174.600 -0.333 0.000 1.048 657 S CA -0.118 57.963 58.200 -0.198 0.000 0.954 657 S CB 0.108 63.271 63.200 -0.061 0.000 0.840 657 S HN 0.813 nan 8.310 nan 0.000 0.503 658 R N -1.310 118.889 120.500 -0.501 0.000 2.771 658 R HA 0.425 4.329 4.340 -0.727 0.000 0.274 658 R C -0.885 175.052 176.300 -0.605 0.000 0.987 658 R CA -0.940 54.813 56.100 -0.580 0.000 0.908 658 R CB 0.377 30.295 30.300 -0.637 0.000 1.213 658 R HN 0.224 nan 8.270 nan 0.000 0.468 659 W N 0.949 122.149 121.300 -0.167 0.000 2.678 659 W HA 0.090 4.318 4.660 -0.719 0.000 0.256 659 W C 1.073 177.718 176.519 0.210 0.000 1.280 659 W CA 0.220 57.571 57.345 0.011 0.000 1.345 659 W CB 0.447 29.891 29.460 -0.027 0.000 1.118 659 W HN 0.722 nan 8.180 nan 0.000 0.629 660 E N -0.989 119.365 120.200 0.257 0.000 2.482 660 E HA -0.125 3.789 4.350 -0.727 0.000 0.196 660 E C 0.836 177.568 176.600 0.220 0.000 1.047 660 E CA 0.629 57.128 56.400 0.165 0.000 0.869 660 E CB -0.093 29.595 29.700 -0.019 0.000 0.836 660 E HN 0.339 nan 8.360 nan 0.000 0.520 661 Y N -1.424 118.961 120.300 0.143 0.000 2.457 661 Y HA 0.134 4.258 4.550 -0.710 0.000 0.263 661 Y C 0.240 176.248 175.900 0.180 0.000 1.164 661 Y CA -0.525 57.629 58.100 0.090 0.000 1.274 661 Y CB -0.213 38.250 38.460 0.005 0.000 1.097 661 Y HN -0.002 nan 8.280 nan 0.000 0.523 662 Y N 2.020 122.461 120.300 0.236 0.000 2.453 662 Y HA 0.316 4.427 4.550 -0.731 0.000 0.326 662 Y C 0.198 176.308 175.900 0.351 0.000 1.186 662 Y CA -2.540 55.705 58.100 0.242 0.000 1.200 662 Y CB 0.522 39.157 38.460 0.293 0.000 1.247 662 Y HN 0.219 nan 8.280 nan 0.000 0.482 663 D N 0.037 120.209 120.400 -0.381 0.000 2.478 663 D HA -0.009 4.195 4.640 -0.727 0.000 0.234 663 D C 0.859 177.142 176.300 -0.029 0.000 1.154 663 D CA 0.691 54.591 54.000 -0.166 0.000 0.874 663 D CB 0.744 41.279 40.800 -0.442 0.000 1.198 663 D HN 0.473 nan 8.370 nan 0.000 0.455 664 S N 1.475 117.198 115.700 0.037 0.000 2.345 664 S HA -0.202 3.832 4.470 -0.727 0.000 0.220 664 S C 2.037 176.662 174.600 0.041 0.000 1.031 664 S CA 0.897 59.150 58.200 0.089 0.000 0.996 664 S CB -0.950 62.319 63.200 0.115 0.000 0.882 664 S HN 0.441 nan 8.310 nan 0.000 0.445 665 V N 0.906 120.782 119.914 -0.064 0.000 2.317 665 V HA -0.238 3.446 4.120 -0.727 0.000 0.251 665 V C 2.291 178.278 176.094 -0.179 0.000 1.065 665 V CA 2.465 64.620 62.300 -0.242 0.000 1.049 665 V CB -0.963 30.570 31.823 -0.483 0.000 0.651 665 V HN 0.622 nan 8.190 nan 0.000 0.450 666 Y N 0.990 121.176 120.300 -0.189 0.000 2.230 666 Y HA -0.106 4.011 4.550 -0.722 0.000 0.294 666 Y C 2.712 178.560 175.900 -0.086 0.000 1.120 666 Y CA 1.915 59.951 58.100 -0.107 0.000 1.129 666 Y CB -0.717 37.815 38.460 0.121 0.000 1.040 666 Y HN 0.217 nan 8.280 nan 0.000 0.519 667 T N 0.352 115.175 114.554 0.449 0.000 2.720 667 T HA -0.207 3.707 4.350 -0.727 0.000 0.268 667 T C 1.553 176.293 174.700 0.067 0.000 1.037 667 T CA 2.002 64.296 62.100 0.323 0.000 1.144 667 T CB -0.261 68.886 68.868 0.464 0.000 0.864 667 T HN 0.396 nan 8.240 nan 0.000 0.444 668 E N 0.165 120.405 120.200 0.066 0.000 2.358 668 E HA 0.016 3.930 4.350 -0.727 0.000 0.195 668 E C 2.260 178.789 176.600 -0.118 0.000 1.010 668 E CA 0.163 56.591 56.400 0.046 0.000 0.856 668 E CB 0.003 29.762 29.700 0.098 0.000 0.795 668 E HN 0.315 nan 8.360 nan 0.000 0.504 669 R N -0.356 119.914 120.500 -0.384 0.000 2.189 669 R HA -0.104 3.800 4.340 -0.727 0.000 0.218 669 R C 0.671 176.489 176.300 -0.802 0.000 1.074 669 R CA 1.194 56.873 56.100 -0.701 0.000 0.991 669 R CB 0.222 29.808 30.300 -1.189 0.000 0.883 669 R HN 0.198 nan 8.270 nan 0.000 0.457 670 Y N -2.682 117.425 120.300 -0.322 0.000 2.448 670 Y HA 0.291 4.404 4.550 -0.728 0.000 0.257 670 Y C 1.280 177.054 175.900 -0.211 0.000 1.089 670 Y CA -0.355 57.565 58.100 -0.300 0.000 1.245 670 Y CB 0.657 38.848 38.460 -0.448 0.000 1.282 670 Y HN -0.057 nan 8.280 nan 0.000 0.529 671 M N -0.307 119.230 119.600 -0.106 0.000 2.308 671 M HA 0.411 4.455 4.480 -0.727 0.000 0.269 671 M C 1.168 177.483 176.300 0.025 0.000 1.040 671 M CA 0.824 56.015 55.300 -0.182 0.000 1.024 671 M CB -0.230 32.059 32.600 -0.519 0.000 1.465 671 M HN 0.348 nan 8.290 nan 0.000 0.517 672 G N 1.923 110.774 108.800 0.085 0.000 2.562 672 G HA2 -0.249 3.275 3.960 -0.727 0.000 0.250 672 G HA3 -0.249 3.275 3.960 -0.727 0.000 0.250 672 G C -0.569 174.483 174.900 0.255 0.000 1.269 672 G CA -0.674 44.515 45.100 0.149 0.000 0.919 672 G HN 0.350 nan 8.290 nan 0.000 0.574 673 L N 2.189 123.543 121.223 0.218 0.000 2.313 673 L HA 0.421 4.325 4.340 -0.727 0.000 0.283 673 L C -1.345 175.571 176.870 0.077 0.000 1.013 673 L CA -1.854 53.071 54.840 0.141 0.000 0.816 673 L CB 2.339 44.439 42.059 0.068 0.000 1.236 673 L HN 0.468 nan 8.230 nan 0.000 0.419 674 P HA -0.046 nan 4.420 nan 0.000 0.299 674 P C 0.100 177.285 177.300 -0.192 0.000 1.515 674 P CA 0.125 62.876 63.100 -0.582 0.000 0.770 674 P CB -0.803 30.237 31.700 -1.100 0.000 1.614 675 T N -3.349 111.173 114.554 -0.054 0.000 2.934 675 T HA 0.373 4.287 4.350 -0.727 0.000 0.283 675 T C -1.701 173.012 174.700 0.021 0.000 1.005 675 T CA -2.185 59.905 62.100 -0.016 0.000 1.041 675 T CB 1.608 70.477 68.868 0.001 0.000 1.042 675 T HN -0.148 nan 8.240 nan 0.000 0.505 676 P HA -0.003 nan 4.420 nan 0.000 0.231 676 P C 0.987 178.309 177.300 0.036 0.000 1.168 676 P CA 0.646 63.766 63.100 0.033 0.000 0.779 676 P CB 0.248 31.962 31.700 0.022 0.000 0.844 677 E N -0.269 119.948 120.200 0.030 0.000 2.285 677 E HA -0.071 3.843 4.350 -0.727 0.000 0.194 677 E C 1.206 177.830 176.600 0.040 0.000 0.997 677 E CA 0.694 57.112 56.400 0.029 0.000 0.845 677 E CB -0.524 29.188 29.700 0.021 0.000 0.782 677 E HN 0.276 nan 8.360 nan 0.000 0.491 678 D N 0.980 121.412 120.400 0.053 0.000 2.929 678 D HA 0.013 4.217 4.640 -0.727 0.000 0.246 678 D C 0.319 176.681 176.300 0.103 0.000 1.237 678 D CA -0.044 54.000 54.000 0.073 0.000 1.171 678 D CB -0.007 40.843 40.800 0.082 0.000 0.933 678 D HN -0.006 nan 8.370 nan 0.000 0.216 679 N N 0.040 118.836 118.700 0.159 0.000 2.338 679 N HA 0.080 4.384 4.740 -0.727 0.000 0.251 679 N C 1.068 176.780 175.510 0.337 0.000 1.199 679 N CA -0.099 53.086 53.050 0.224 0.000 0.879 679 N CB 0.049 38.676 38.487 0.234 0.000 1.159 679 N HN 0.084 nan 8.380 nan 0.000 0.514 680 L N 0.616 121.973 121.223 0.223 0.000 1.990 680 L HA -0.170 3.734 4.340 -0.727 0.000 0.213 680 L C 1.189 178.194 176.870 0.225 0.000 1.072 680 L CA 1.997 56.951 54.840 0.190 0.000 0.755 680 L CB -0.838 41.259 42.059 0.064 0.000 0.889 680 L HN 0.191 nan 8.230 nan 0.000 0.432 681 D N -1.323 119.174 120.400 0.163 0.000 2.204 681 D HA -0.321 3.883 4.640 -0.727 0.000 0.189 681 D C 2.188 178.586 176.300 0.164 0.000 1.006 681 D CA 2.128 56.211 54.000 0.138 0.000 0.855 681 D CB -0.278 40.592 40.800 0.117 0.000 0.946 681 D HN 0.663 nan 8.370 nan 0.000 0.448 682 H N -1.562 117.577 119.070 0.115 0.000 2.495 682 H HA -0.044 4.076 4.556 -0.726 0.000 0.287 682 H C 1.711 177.103 175.328 0.107 0.000 1.033 682 H CA 1.101 57.196 56.048 0.078 0.000 1.307 682 H CB -0.163 29.613 29.762 0.024 0.000 1.401 682 H HN 0.209 nan 8.280 nan 0.000 0.555 683 Y N 0.504 120.857 120.300 0.089 0.000 2.089 683 Y HA -0.195 3.918 4.550 -0.728 0.000 0.282 683 Y C 2.452 178.347 175.900 -0.009 0.000 1.139 683 Y CA 1.646 59.792 58.100 0.076 0.000 1.123 683 Y CB 0.031 38.546 38.460 0.091 0.000 0.980 683 Y HN 0.121 nan 8.280 nan 0.000 0.493 684 R N -0.004 120.598 120.500 0.170 0.000 2.148 684 R HA -0.151 3.753 4.340 -0.727 0.000 0.227 684 R C 1.220 177.519 176.300 -0.002 0.000 1.103 684 R CA 1.044 57.180 56.100 0.060 0.000 0.983 684 R CB -1.220 29.109 30.300 0.050 0.000 0.874 684 R HN 0.497 nan 8.270 nan 0.000 0.451 685 N N 1.113 119.787 118.700 -0.043 0.000 2.362 685 N HA -0.049 4.255 4.740 -0.727 0.000 0.204 685 N C -0.456 174.951 175.510 -0.172 0.000 1.166 685 N CA 0.115 53.114 53.050 -0.087 0.000 0.831 685 N CB 0.310 38.764 38.487 -0.055 0.000 1.008 685 N HN 0.073 nan 8.380 nan 0.000 0.472 686 S N -1.087 114.519 115.700 -0.156 0.000 2.828 686 S HA 0.076 4.110 4.470 -0.727 0.000 0.240 686 S C -0.041 174.577 174.600 0.030 0.000 0.912 686 S CA -0.810 57.333 58.200 -0.095 0.000 1.100 686 S CB -0.239 62.850 63.200 -0.185 0.000 1.271 686 S HN 0.161 nan 8.310 nan 0.000 0.476 687 T N -1.326 113.218 114.554 -0.016 0.000 2.927 687 T HA 0.641 4.555 4.350 -0.727 0.000 0.281 687 T C 1.338 176.030 174.700 -0.013 0.000 0.998 687 T CA -0.463 61.615 62.100 -0.036 0.000 1.019 687 T CB 1.297 70.116 68.868 -0.082 0.000 1.061 687 T HN 0.051 nan 8.240 nan 0.000 0.518 688 V N 0.629 120.531 119.914 -0.020 0.000 2.446 688 V HA -0.060 3.624 4.120 -0.727 0.000 0.244 688 V C 2.614 178.676 176.094 -0.052 0.000 1.039 688 V CA 0.980 63.273 62.300 -0.011 0.000 1.045 688 V CB -1.093 30.725 31.823 -0.009 0.000 0.681 688 V HN 0.765 nan 8.190 nan 0.000 0.459 689 M N 1.898 121.449 119.600 -0.083 0.000 2.252 689 M HA -0.192 3.852 4.480 -0.727 0.000 0.257 689 M C 2.159 178.419 176.300 -0.067 0.000 1.077 689 M CA 2.189 57.430 55.300 -0.097 0.000 1.066 689 M CB -1.057 31.502 32.600 -0.070 0.000 1.380 689 M HN 0.589 nan 8.290 nan 0.000 0.412 690 S N -1.198 114.481 115.700 -0.036 0.000 2.501 690 S HA 0.077 4.111 4.470 -0.727 0.000 0.220 690 S C 1.665 176.270 174.600 0.009 0.000 0.997 690 S CA 0.026 58.217 58.200 -0.015 0.000 0.919 690 S CB -0.147 63.045 63.200 -0.013 0.000 0.778 690 S HN 0.482 nan 8.310 nan 0.000 0.523 691 R N 0.789 121.310 120.500 0.036 0.000 2.480 691 R HA 0.474 4.378 4.340 -0.727 0.000 0.277 691 R C 1.864 178.290 176.300 0.211 0.000 1.008 691 R CA 0.409 56.575 56.100 0.110 0.000 1.090 691 R CB -0.161 30.218 30.300 0.131 0.000 1.234 691 R HN 0.484 nan 8.270 nan 0.000 0.549 692 A N 1.268 124.112 122.820 0.039 0.000 1.877 692 A HA -0.245 3.639 4.320 -0.727 0.000 0.216 692 A C 2.024 179.668 177.584 0.099 0.000 1.186 692 A CA 1.723 53.715 52.037 -0.076 0.000 0.620 692 A CB -0.232 18.677 19.000 -0.151 0.000 0.822 692 A HN 0.325 nan 8.150 nan 0.000 0.443 693 E N 0.603 120.854 120.200 0.086 0.000 2.209 693 E HA -0.187 3.727 4.350 -0.727 0.000 0.196 693 E C 1.399 178.076 176.600 0.129 0.000 0.993 693 E CA 1.591 58.046 56.400 0.091 0.000 0.819 693 E CB -0.239 29.494 29.700 0.056 0.000 0.745 693 E HN 0.564 nan 8.360 nan 0.000 0.477 694 N N -0.692 118.108 118.700 0.167 0.000 2.463 694 N HA -0.019 4.285 4.740 -0.727 0.000 0.181 694 N C 0.666 176.225 175.510 0.082 0.000 1.078 694 N CA 0.335 53.444 53.050 0.100 0.000 0.902 694 N CB -0.118 38.383 38.487 0.023 0.000 0.970 694 N HN 0.268 nan 8.380 nan 0.000 0.451 695 F N 1.535 121.459 119.950 -0.043 0.000 2.546 695 F HA 0.004 4.098 4.527 -0.722 0.000 0.298 695 F C 2.023 177.840 175.800 0.029 0.000 1.120 695 F CA 0.548 58.521 58.000 -0.045 0.000 1.456 695 F CB 0.160 39.115 39.000 -0.074 0.000 1.088 695 F HN -0.055 nan 8.300 nan 0.000 0.572 696 K N 0.251 120.767 120.400 0.194 0.000 2.160 696 K HA -0.233 3.651 4.320 -0.727 0.000 0.206 696 K C 1.514 178.175 176.600 0.103 0.000 1.047 696 K CA 1.377 57.750 56.287 0.144 0.000 0.930 696 K CB -0.283 32.283 32.500 0.110 0.000 0.720 696 K HN 0.438 nan 8.250 nan 0.000 0.450 697 Q N 0.480 120.318 119.800 0.063 0.000 2.444 697 Q HA 0.015 3.919 4.340 -0.727 0.000 0.206 697 Q C 0.334 176.361 176.000 0.046 0.000 0.948 697 Q CA 0.093 55.922 55.803 0.042 0.000 0.946 697 Q CB 0.295 29.043 28.738 0.016 0.000 1.027 697 Q HN 0.158 nan 8.270 nan 0.000 0.513 698 V N -4.006 115.944 119.914 0.061 0.000 3.181 698 V HA 0.447 4.131 4.120 -0.727 0.000 0.307 698 V C -1.484 174.714 176.094 0.173 0.000 1.310 698 V CA -1.367 60.984 62.300 0.084 0.000 1.067 698 V CB 2.255 34.083 31.823 0.008 0.000 1.081 698 V HN -0.045 nan 8.190 nan 0.000 0.453 699 E N 1.209 121.543 120.200 0.223 0.000 2.092 699 E HA 0.425 4.339 4.350 -0.727 0.000 0.271 699 E C -1.756 175.183 176.600 0.565 0.000 0.919 699 E CA -0.478 56.134 56.400 0.353 0.000 0.760 699 E CB 1.623 31.481 29.700 0.264 0.000 1.106 699 E HN 0.615 nan 8.360 nan 0.000 0.408 700 Y N 2.796 123.341 120.300 0.408 0.000 2.432 700 Y HA 0.533 4.652 4.550 -0.720 0.000 0.322 700 Y C -0.815 175.208 175.900 0.204 0.000 1.246 700 Y CA -1.629 56.688 58.100 0.363 0.000 1.268 700 Y CB 1.100 39.795 38.460 0.392 0.000 1.276 700 Y HN 0.402 nan 8.280 nan 0.000 0.499 701 L N 5.929 127.126 121.223 -0.043 0.000 2.680 701 L HA 0.404 4.308 4.340 -0.727 0.000 0.260 701 L C -2.416 174.154 176.870 -0.500 0.000 0.975 701 L CA -0.562 54.001 54.840 -0.461 0.000 0.920 701 L CB 1.083 42.478 42.059 -1.106 0.000 1.234 701 L HN 0.494 nan 8.230 nan 0.000 0.429 702 L N 5.943 126.852 121.223 -0.523 0.000 2.295 702 L HA 0.774 4.678 4.340 -0.727 0.000 0.285 702 L C -1.039 175.729 176.870 -0.171 0.000 1.035 702 L CA 0.067 54.651 54.840 -0.428 0.000 0.806 702 L CB 1.142 42.911 42.059 -0.483 0.000 1.214 702 L HN 0.590 nan 8.230 nan 0.000 0.426 703 I N 4.332 124.822 120.570 -0.134 0.000 2.619 703 I HA 0.455 4.189 4.170 -0.727 0.000 0.292 703 I C -1.227 174.869 176.117 -0.035 0.000 1.100 703 I CA -0.743 60.528 61.300 -0.049 0.000 1.043 703 I CB 2.089 40.032 38.000 -0.094 0.000 1.239 703 I HN 0.674 nan 8.210 nan 0.000 0.420 704 H N 1.950 121.046 119.070 0.044 0.000 3.085 704 H HA 0.515 4.646 4.556 -0.708 0.000 0.356 704 H C -0.325 175.187 175.328 0.307 0.000 1.178 704 H CA -0.477 55.616 56.048 0.076 0.000 1.214 704 H CB 2.100 31.842 29.762 -0.033 0.000 1.881 704 H HN 0.765 nan 8.280 nan 0.000 0.538 705 G N 0.515 109.555 108.800 0.401 0.000 2.467 705 G HA2 0.237 3.761 3.960 -0.727 0.000 0.257 705 G HA3 0.237 3.761 3.960 -0.727 0.000 0.257 705 G C 1.025 176.231 174.900 0.510 0.000 1.227 705 G CA 0.127 45.478 45.100 0.419 0.000 0.835 705 G HN 0.735 nan 8.290 nan 0.000 0.556 706 T N -1.481 113.253 114.554 0.301 0.000 3.113 706 T HA 0.261 4.175 4.350 -0.727 0.000 0.256 706 T C 1.447 176.190 174.700 0.073 0.000 1.131 706 T CA 0.978 63.092 62.100 0.024 0.000 1.074 706 T CB 0.341 69.145 68.868 -0.107 0.000 0.944 706 T HN 0.722 nan 8.240 nan 0.000 0.516 707 A N 0.957 123.869 122.820 0.153 0.000 2.637 707 A HA 0.314 4.198 4.320 -0.727 0.000 0.293 707 A C 0.327 177.848 177.584 -0.105 0.000 1.216 707 A CA -0.516 51.564 52.037 0.072 0.000 0.956 707 A CB -0.117 19.151 19.000 0.445 0.000 1.174 707 A HN 0.375 nan 8.150 nan 0.000 0.525 708 D N 1.703 122.090 120.400 -0.021 0.000 2.348 708 D HA -0.032 4.172 4.640 -0.727 0.000 0.259 708 D C 0.375 176.606 176.300 -0.116 0.000 1.296 708 D CA 0.272 54.325 54.000 0.089 0.000 0.931 708 D CB 0.604 41.593 40.800 0.315 0.000 1.067 708 D HN 0.592 nan 8.370 nan 0.000 0.503 709 D N 2.809 123.151 120.400 -0.097 0.000 2.234 709 D HA -0.184 4.021 4.640 -0.727 0.000 0.205 709 D C 1.114 177.349 176.300 -0.109 0.000 0.962 709 D CA 0.131 54.058 54.000 -0.123 0.000 0.855 709 D CB 0.259 40.981 40.800 -0.130 0.000 0.951 709 D HN 0.257 nan 8.370 nan 0.000 0.500 710 N N 1.088 119.819 118.700 0.052 0.000 2.143 710 N HA -0.097 4.207 4.740 -0.727 0.000 0.190 710 N C 0.189 175.581 175.510 -0.196 0.000 1.058 710 N CA 0.788 53.901 53.050 0.104 0.000 0.860 710 N CB -0.000 38.521 38.487 0.056 0.000 1.044 710 N HN -0.058 nan 8.380 nan 0.000 0.445 711 V N 4.013 123.803 119.914 -0.207 0.000 2.221 711 V HA 0.136 3.820 4.120 -0.727 0.000 0.258 711 V C -0.373 175.738 176.094 0.029 0.000 1.179 711 V CA -0.553 61.658 62.300 -0.148 0.000 1.022 711 V CB -0.727 31.040 31.823 -0.093 0.000 1.228 711 V HN 0.329 nan 8.190 nan 0.000 0.487 712 H N 2.226 121.298 119.070 0.004 0.000 3.164 712 H HA -0.153 3.964 4.556 -0.732 0.000 0.340 712 H C 0.969 176.239 175.328 -0.097 0.000 1.101 712 H CA 0.791 56.790 56.048 -0.082 0.000 1.331 712 H CB 0.559 30.184 29.762 -0.229 0.000 1.231 712 H HN 0.542 nan 8.280 nan 0.000 0.602 713 F N 1.229 121.072 119.950 -0.178 0.000 2.186 713 F HA -0.198 4.248 4.527 -0.135 0.000 0.299 713 F C 2.690 178.210 175.800 -0.468 0.000 1.090 713 F CA 1.691 59.370 58.000 -0.534 0.000 1.307 713 F CB -0.186 38.653 39.000 -0.270 0.000 1.019 713 F HN 0.661 nan 8.300 nan 0.000 0.489 714 Q N 0.170 119.858 119.800 -0.187 0.000 2.268 714 Q HA -0.325 3.579 4.340 -0.727 0.000 0.213 714 Q C 1.888 177.640 176.000 -0.414 0.000 0.995 714 Q CA 2.299 57.918 55.803 -0.306 0.000 0.901 714 Q CB -0.348 28.169 28.738 -0.368 0.000 0.921 714 Q HN 0.584 nan 8.270 nan 0.000 0.421 715 Q N -0.588 119.000 119.800 -0.353 0.000 2.167 715 Q HA -0.062 3.842 4.340 -0.727 0.000 0.202 715 Q C 2.046 177.893 176.000 -0.256 0.000 0.970 715 Q CA 1.527 57.218 55.803 -0.187 0.000 0.855 715 Q CB 0.154 28.860 28.738 -0.053 0.000 0.911 715 Q HN 0.341 nan 8.270 nan 0.000 0.438 716 S N 0.623 116.009 115.700 -0.523 0.000 2.456 716 S HA 0.103 4.137 4.470 -0.727 0.000 0.224 716 S C 1.983 176.302 174.600 -0.467 0.000 1.035 716 S CA 0.513 58.441 58.200 -0.452 0.000 0.940 716 S CB 0.128 63.024 63.200 -0.508 0.000 0.799 716 S HN 0.422 nan 8.310 nan 0.000 0.508 717 A N 1.197 123.645 122.820 -0.622 0.000 2.070 717 A HA -0.084 3.800 4.320 -0.727 0.000 0.220 717 A C 2.025 179.494 177.584 -0.192 0.000 1.159 717 A CA 1.044 52.873 52.037 -0.347 0.000 0.656 717 A CB -0.256 18.607 19.000 -0.229 0.000 0.800 717 A HN 0.332 nan 8.150 nan 0.000 0.453 718 Q N -0.910 118.775 119.800 -0.192 0.000 2.376 718 Q HA 0.177 4.081 4.340 -0.727 0.000 0.206 718 Q C 1.939 177.874 176.000 -0.109 0.000 0.921 718 Q CA 0.451 56.197 55.803 -0.096 0.000 0.911 718 Q CB 0.001 28.744 28.738 0.008 0.000 1.032 718 Q HN 0.758 nan 8.270 nan 0.000 0.510 719 I N 0.969 121.441 120.570 -0.164 0.000 2.162 719 I HA -0.244 3.490 4.170 -0.727 0.000 0.238 719 I C 2.518 178.463 176.117 -0.286 0.000 1.076 719 I CA 1.264 62.433 61.300 -0.219 0.000 1.353 719 I CB -0.364 37.508 38.000 -0.214 0.000 1.063 719 I HN 0.165 nan 8.210 nan 0.000 0.408 720 S N 1.349 116.895 115.700 -0.257 0.000 2.359 720 S HA -0.347 3.687 4.470 -0.727 0.000 0.222 720 S C 2.039 176.611 174.600 -0.045 0.000 1.038 720 S CA 1.896 60.001 58.200 -0.159 0.000 1.051 720 S CB -0.707 62.565 63.200 0.119 0.000 0.944 720 S HN 0.342 nan 8.310 nan 0.000 0.433 721 K N 1.771 122.150 120.400 -0.035 0.000 2.218 721 K HA -0.058 3.826 4.320 -0.727 0.000 0.205 721 K C 2.054 178.631 176.600 -0.038 0.000 1.046 721 K CA 1.235 57.513 56.287 -0.015 0.000 0.933 721 K CB -0.619 31.865 32.500 -0.027 0.000 0.728 721 K HN 0.533 nan 8.250 nan 0.000 0.454 722 A N 0.214 122.977 122.820 -0.095 0.000 2.021 722 A HA 0.055 3.939 4.320 -0.727 0.000 0.216 722 A C 1.895 179.401 177.584 -0.131 0.000 1.163 722 A CA 0.626 52.598 52.037 -0.109 0.000 0.676 722 A CB -0.166 18.749 19.000 -0.143 0.000 0.818 722 A HN 0.278 nan 8.150 nan 0.000 0.453 723 L N -0.937 120.176 121.223 -0.184 0.000 2.127 723 L HA -0.048 3.856 4.340 -0.727 0.000 0.203 723 L C 2.381 179.277 176.870 0.043 0.000 1.080 723 L CA 0.538 55.283 54.840 -0.158 0.000 0.768 723 L CB -0.419 41.393 42.059 -0.411 0.000 0.924 723 L HN 0.177 nan 8.230 nan 0.000 0.444 724 V N 0.046 120.030 119.914 0.118 0.000 2.469 724 V HA -0.299 3.385 4.120 -0.727 0.000 0.251 724 V C 1.917 178.052 176.094 0.068 0.000 1.064 724 V CA 1.821 64.205 62.300 0.139 0.000 1.066 724 V CB -0.547 31.354 31.823 0.130 0.000 0.667 724 V HN 0.430 nan 8.190 nan 0.000 0.461 725 D N 0.142 120.562 120.400 0.032 0.000 2.224 725 D HA -0.078 4.127 4.640 -0.727 0.000 0.205 725 D C 1.836 178.148 176.300 0.021 0.000 0.965 725 D CA 1.522 55.533 54.000 0.019 0.000 0.852 725 D CB -0.007 40.794 40.800 0.002 0.000 0.947 725 D HN 0.553 nan 8.370 nan 0.000 0.494 726 V N -3.353 116.575 119.914 0.023 0.000 3.621 726 V HA 0.455 4.139 4.120 -0.727 0.000 0.285 726 V C 1.108 177.233 176.094 0.052 0.000 1.346 726 V CA 0.145 62.463 62.300 0.030 0.000 1.104 726 V CB -0.299 31.537 31.823 0.022 0.000 0.913 726 V HN 0.121 nan 8.190 nan 0.000 0.432 727 G N 0.667 109.507 108.800 0.066 0.000 2.385 727 G HA2 -0.139 3.385 3.960 -0.727 0.000 0.294 727 G HA3 -0.139 3.385 3.960 -0.727 0.000 0.294 727 G C -0.367 174.600 174.900 0.112 0.000 1.070 727 G CA 0.249 45.398 45.100 0.083 0.000 1.172 727 G HN 0.842 nan 8.290 nan 0.000 0.516 728 V N 1.238 121.248 119.914 0.160 0.000 2.487 728 V HA 0.475 4.159 4.120 -0.727 0.000 0.298 728 V C 0.196 176.491 176.094 0.335 0.000 1.028 728 V CA -0.721 61.708 62.300 0.215 0.000 0.860 728 V CB 1.937 33.877 31.823 0.195 0.000 0.991 728 V HN 0.580 nan 8.190 nan 0.000 0.427 729 D N 3.897 124.461 120.400 0.273 0.000 2.302 729 D HA 0.620 4.824 4.640 -0.727 0.000 0.248 729 D C -0.600 175.941 176.300 0.402 0.000 1.094 729 D CA 0.268 54.407 54.000 0.232 0.000 0.897 729 D CB 0.807 41.680 40.800 0.121 0.000 1.200 729 D HN 0.357 nan 8.370 nan 0.000 0.429 730 F N -0.396 119.620 119.950 0.109 0.000 2.779 730 F HA 0.461 4.545 4.527 -0.739 0.000 0.316 730 F C -1.542 174.282 175.800 0.040 0.000 1.164 730 F CA -1.143 56.931 58.000 0.123 0.000 0.924 730 F CB 0.756 39.843 39.000 0.145 0.000 1.348 730 F HN 0.075 nan 8.300 nan 0.000 0.467 731 Q N 1.388 121.265 119.800 0.128 0.000 2.282 731 Q HA 0.794 4.699 4.340 -0.727 0.000 0.260 731 Q C -0.787 175.196 176.000 -0.029 0.000 0.964 731 Q CA -0.740 55.031 55.803 -0.053 0.000 0.880 731 Q CB 2.124 30.800 28.738 -0.104 0.000 1.286 731 Q HN 1.023 nan 8.270 nan 0.000 0.445 732 A N 2.185 124.963 122.820 -0.070 0.000 2.479 732 A HA 0.891 4.775 4.320 -0.727 0.000 0.296 732 A C -1.112 176.442 177.584 -0.051 0.000 1.121 732 A CA -0.608 51.424 52.037 -0.007 0.000 0.743 732 A CB 1.918 20.948 19.000 0.049 0.000 1.323 732 A HN 0.620 nan 8.150 nan 0.000 0.415 733 M N 1.119 120.686 119.600 -0.056 0.000 2.396 733 M HA 0.446 4.490 4.480 -0.727 0.000 0.222 733 M C -1.992 174.192 176.300 -0.194 0.000 0.972 733 M CA -0.791 54.346 55.300 -0.272 0.000 0.887 733 M CB 0.484 32.940 32.600 -0.240 0.000 2.378 733 M HN 1.014 nan 8.290 nan 0.000 0.446 734 W N 4.516 125.662 121.300 -0.257 0.000 2.415 734 W HA 0.806 5.174 4.660 -0.487 0.000 0.355 734 W C -1.856 174.391 176.519 -0.453 0.000 1.161 734 W CA -0.682 56.589 57.345 -0.122 0.000 1.315 734 W CB 0.432 29.879 29.460 -0.021 0.000 1.261 734 W HN 0.629 nan 8.180 nan 0.000 0.636 735 Y N 1.894 122.363 120.300 0.281 0.000 2.594 735 Y HA 0.247 4.362 4.550 -0.726 0.000 0.338 735 Y C 0.326 176.354 175.900 0.213 0.000 1.019 735 Y CA -1.241 56.923 58.100 0.107 0.000 1.306 735 Y CB 1.049 39.510 38.460 0.001 0.000 1.094 735 Y HN 0.449 nan 8.280 nan 0.000 0.534 736 T N 4.557 119.315 114.554 0.341 0.000 2.656 736 T HA -0.095 3.819 4.350 -0.727 0.000 0.258 736 T C 0.158 174.962 174.700 0.172 0.000 1.020 736 T CA 1.145 63.378 62.100 0.223 0.000 1.191 736 T CB -0.307 68.634 68.868 0.121 0.000 1.004 736 T HN 0.685 nan 8.240 nan 0.000 0.498 737 D N 1.033 121.533 120.400 0.167 0.000 3.012 737 D HA -0.125 4.079 4.640 -0.727 0.000 0.222 737 D C 0.271 176.743 176.300 0.288 0.000 1.167 737 D CA 1.043 55.140 54.000 0.162 0.000 0.854 737 D CB -0.431 40.267 40.800 -0.171 0.000 1.107 737 D HN 0.562 nan 8.370 nan 0.000 0.421 738 E N 0.636 121.000 120.200 0.273 0.000 2.277 738 E HA 0.358 4.272 4.350 -0.727 0.000 0.274 738 E C 0.734 177.497 176.600 0.272 0.000 1.022 738 E CA -0.364 56.189 56.400 0.255 0.000 0.853 738 E CB 1.159 30.983 29.700 0.207 0.000 1.086 738 E HN 0.323 nan 8.360 nan 0.000 0.397 739 D N -0.557 120.007 120.400 0.273 0.000 2.446 739 D HA -0.011 4.193 4.640 -0.727 0.000 0.288 739 D C 0.961 177.439 176.300 0.296 0.000 1.195 739 D CA -0.127 54.051 54.000 0.297 0.000 1.095 739 D CB -0.039 40.968 40.800 0.343 0.000 1.153 739 D HN 0.448 nan 8.370 nan 0.000 0.568 740 H N -2.054 117.156 119.070 0.233 0.000 2.559 740 H HA 0.235 4.352 4.556 -0.732 0.000 0.273 740 H C 1.575 177.142 175.328 0.398 0.000 1.000 740 H CA 1.196 57.395 56.048 0.253 0.000 1.195 740 H CB -0.144 29.762 29.762 0.241 0.000 1.368 740 H HN 0.439 nan 8.280 nan 0.000 0.592 741 G N -0.514 108.474 108.800 0.315 0.000 3.159 741 G HA2 0.096 3.620 3.960 -0.727 0.000 0.232 741 G HA3 0.096 3.620 3.960 -0.727 0.000 0.232 741 G C 0.451 175.548 174.900 0.329 0.000 1.116 741 G CA -0.043 45.223 45.100 0.276 0.000 0.767 741 G HN 0.438 nan 8.290 nan 0.000 0.547 742 I N 0.678 121.411 120.570 0.271 0.000 3.104 742 I HA -0.344 3.390 4.170 -0.727 0.000 0.126 742 I C 1.633 177.847 176.117 0.162 0.000 0.932 742 I CA 0.242 61.626 61.300 0.139 0.000 2.771 742 I CB -0.856 37.132 38.000 -0.019 0.000 0.892 742 I HN 0.258 nan 8.210 nan 0.000 0.349 743 A N 1.580 124.491 122.820 0.151 0.000 2.348 743 A HA 0.226 4.110 4.320 -0.727 0.000 0.224 743 A C 1.136 178.782 177.584 0.103 0.000 1.227 743 A CA 0.055 52.162 52.037 0.116 0.000 0.885 743 A CB 0.221 19.266 19.000 0.075 0.000 0.933 743 A HN 0.456 nan 8.150 nan 0.000 0.506 744 S N 0.550 116.317 115.700 0.112 0.000 2.563 744 S HA 0.049 4.083 4.470 -0.727 0.000 0.294 744 S C 1.576 176.247 174.600 0.118 0.000 1.279 744 S CA 0.505 58.769 58.200 0.107 0.000 1.069 744 S CB 0.921 64.186 63.200 0.108 0.000 0.828 744 S HN 0.594 nan 8.310 nan 0.000 0.497 745 S N 3.190 118.948 115.700 0.096 0.000 2.381 745 S HA -0.218 3.816 4.470 -0.727 0.000 0.230 745 S C 2.264 176.939 174.600 0.126 0.000 1.052 745 S CA 2.356 60.617 58.200 0.102 0.000 1.068 745 S CB -0.690 62.548 63.200 0.064 0.000 0.918 745 S HN 0.972 nan 8.310 nan 0.000 0.448 746 T N -0.608 114.010 114.554 0.106 0.000 2.857 746 T HA 0.232 4.146 4.350 -0.727 0.000 0.266 746 T C 1.919 176.701 174.700 0.137 0.000 1.048 746 T CA 1.198 63.365 62.100 0.112 0.000 1.139 746 T CB -0.715 68.217 68.868 0.105 0.000 0.874 746 T HN 0.444 nan 8.240 nan 0.000 0.455 747 A N 1.345 124.227 122.820 0.104 0.000 1.897 747 A HA -0.008 3.876 4.320 -0.727 0.000 0.215 747 A C 2.186 179.733 177.584 -0.062 0.000 1.181 747 A CA 1.739 53.777 52.037 0.002 0.000 0.620 747 A CB -1.176 17.774 19.000 -0.083 0.000 0.821 747 A HN 0.709 nan 8.150 nan 0.000 0.443 748 H N 0.108 119.155 119.070 -0.038 0.000 2.319 748 H HA -0.144 3.975 4.556 -0.728 0.000 0.299 748 H C 2.050 177.416 175.328 0.063 0.000 1.092 748 H CA 2.366 58.410 56.048 -0.007 0.000 1.302 748 H CB -0.170 29.621 29.762 0.050 0.000 1.373 748 H HN 0.555 nan 8.280 nan 0.000 0.497 749 Q N -1.265 118.545 119.800 0.017 0.000 2.224 749 Q HA -0.157 3.747 4.340 -0.727 0.000 0.203 749 Q C 1.961 177.969 176.000 0.014 0.000 0.970 749 Q CA 1.098 56.899 55.803 -0.003 0.000 0.865 749 Q CB -0.030 28.737 28.738 0.049 0.000 0.922 749 Q HN 0.617 nan 8.270 nan 0.000 0.445 750 H N 0.953 119.996 119.070 -0.045 0.000 2.317 750 H HA 0.011 4.137 4.556 -0.717 0.000 0.304 750 H C 1.980 177.295 175.328 -0.021 0.000 1.067 750 H CA 0.987 57.040 56.048 0.008 0.000 1.352 750 H CB -0.145 29.668 29.762 0.084 0.000 1.398 750 H HN 0.230 nan 8.280 nan 0.000 0.510 751 I N 0.234 120.787 120.570 -0.028 0.000 2.208 751 I HA -0.362 3.372 4.170 -0.727 0.000 0.245 751 I C 1.763 177.766 176.117 -0.190 0.000 1.097 751 I CA 1.479 62.671 61.300 -0.180 0.000 1.363 751 I CB -0.252 37.414 38.000 -0.557 0.000 1.051 751 I HN 0.133 nan 8.210 nan 0.000 0.413 752 Y N 0.878 121.044 120.300 -0.222 0.000 2.373 752 Y HA -0.156 3.962 4.550 -0.720 0.000 0.293 752 Y C 2.743 178.540 175.900 -0.172 0.000 1.129 752 Y CA 1.484 59.356 58.100 -0.380 0.000 1.226 752 Y CB -1.009 37.200 38.460 -0.418 0.000 1.000 752 Y HN 0.172 nan 8.280 nan 0.000 0.549 753 T N -1.680 112.924 114.554 0.083 0.000 2.770 753 T HA -0.189 3.725 4.350 -0.727 0.000 0.263 753 T C 1.642 176.421 174.700 0.132 0.000 1.039 753 T CA 1.705 63.831 62.100 0.043 0.000 1.142 753 T CB -0.376 68.488 68.868 -0.006 0.000 0.868 753 T HN 0.376 nan 8.240 nan 0.000 0.435 754 H N 0.984 120.131 119.070 0.128 0.000 2.387 754 H HA 0.080 4.201 4.556 -0.724 0.000 0.299 754 H C 2.082 177.523 175.328 0.188 0.000 1.099 754 H CA 1.612 57.788 56.048 0.213 0.000 1.315 754 H CB -0.280 29.616 29.762 0.223 0.000 1.380 754 H HN 0.295 nan 8.280 nan 0.000 0.513 755 M N -0.996 118.649 119.600 0.075 0.000 2.175 755 M HA -0.137 3.907 4.480 -0.727 0.000 0.264 755 M C 2.461 178.929 176.300 0.281 0.000 1.063 755 M CA 1.388 56.712 55.300 0.041 0.000 1.119 755 M CB 0.020 32.471 32.600 -0.248 0.000 1.377 755 M HN 0.162 nan 8.290 nan 0.000 0.415 756 S N -0.411 115.490 115.700 0.335 0.000 2.359 756 S HA -0.183 3.851 4.470 -0.727 0.000 0.223 756 S C 1.744 176.455 174.600 0.184 0.000 1.039 756 S CA 1.192 59.639 58.200 0.411 0.000 1.042 756 S CB -0.671 62.691 63.200 0.270 0.000 0.915 756 S HN 0.466 nan 8.310 nan 0.000 0.439 757 H N -0.289 118.895 119.070 0.190 0.000 2.352 757 H HA -0.066 4.053 4.556 -0.728 0.000 0.299 757 H C 2.023 177.412 175.328 0.100 0.000 1.097 757 H CA 1.409 57.528 56.048 0.118 0.000 1.311 757 H CB -0.729 29.085 29.762 0.086 0.000 1.377 757 H HN 0.418 nan 8.280 nan 0.000 0.504 758 F N 1.442 121.423 119.950 0.051 0.000 2.095 758 F HA -0.207 3.889 4.527 -0.718 0.000 0.298 758 F C 2.341 178.113 175.800 -0.046 0.000 1.104 758 F CA 0.879 58.866 58.000 -0.021 0.000 1.232 758 F CB -0.408 38.552 39.000 -0.067 0.000 0.987 758 F HN -0.024 nan 8.300 nan 0.000 0.475 759 I N 0.574 121.109 120.570 -0.059 0.000 2.179 759 I HA -0.274 3.460 4.170 -0.727 0.000 0.242 759 I C 2.325 178.225 176.117 -0.361 0.000 1.088 759 I CA 1.341 62.426 61.300 -0.360 0.000 1.357 759 I CB -1.220 36.670 38.000 -0.184 0.000 1.051 759 I HN 0.158 nan 8.210 nan 0.000 0.409 760 K N 0.405 120.750 120.400 -0.092 0.000 2.034 760 K HA -0.264 3.621 4.320 -0.727 0.000 0.214 760 K C 1.971 178.571 176.600 0.001 0.000 1.051 760 K CA 1.515 57.807 56.287 0.009 0.000 0.931 760 K CB -0.577 31.983 32.500 0.099 0.000 0.715 760 K HN 0.434 nan 8.250 nan 0.000 0.446 761 Q N 1.160 120.942 119.800 -0.031 0.000 2.119 761 Q HA -0.151 3.753 4.340 -0.727 0.000 0.201 761 Q C 2.317 178.263 176.000 -0.090 0.000 0.972 761 Q CA 1.427 57.212 55.803 -0.031 0.000 0.847 761 Q CB -0.389 28.339 28.738 -0.018 0.000 0.903 761 Q HN 0.401 nan 8.270 nan 0.000 0.433 762 c N 0.303 118.737 118.600 -0.277 0.000 2.413 762 c HA -0.098 4.037 4.570 -0.727 0.000 0.277 762 c C 1.911 176.016 174.090 0.025 0.000 1.265 762 c CA 0.495 56.636 56.329 -0.313 0.000 1.752 762 c CB -1.208 40.879 42.510 -0.705 0.000 1.998 762 c HN 0.528 nan 8.230 nan 0.000 0.489 763 F N 2.328 122.240 119.950 -0.064 0.000 2.641 763 F HA 0.232 4.325 4.527 -0.724 0.000 0.302 763 F C 1.781 177.572 175.800 -0.014 0.000 1.098 763 F CA 0.229 58.212 58.000 -0.027 0.000 1.318 763 F CB -1.318 37.671 39.000 -0.018 0.000 1.035 763 F HN 0.415 nan 8.300 nan 0.000 0.551 764 S N -0.292 115.498 115.700 0.150 0.000 3.311 764 S HA -0.263 3.772 4.470 -0.727 0.000 0.373 764 S C 1.318 175.970 174.600 0.087 0.000 0.945 764 S CA 0.199 58.454 58.200 0.092 0.000 1.238 764 S CB -1.805 61.436 63.200 0.067 0.000 0.893 764 S HN 0.245 nan 8.310 nan 0.000 0.478 765 L N 0.918 122.206 121.223 0.107 0.000 1.971 765 L HA 0.021 3.925 4.340 -0.727 0.000 0.215 765 L C 0.417 177.322 176.870 0.059 0.000 1.072 765 L CA 2.145 57.035 54.840 0.083 0.000 0.758 765 L CB -3.293 38.820 42.059 0.090 0.000 0.889 765 L HN 0.609 nan 8.230 nan 0.000 0.433 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.146 63.100 0.076 0.000 0.800 766 P CB 0.000 31.742 31.700 0.070 0.000 0.726