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 2xrg_1_A DATA FIRST_RESID 56 DATA SEQUENCE GScKGRcFEL QEVGPPDcRc DNLcKSYSSc cHDFDELcLK TARGWEcTKD DATA SEQUENCE RcGEVRNEEN AcHcSEDcLS RGDccTNYQV VcKGESHWVD DDcEEIKVPE DATA SEQUENCE cPAGFVRPPL IIFSVDGFRA SYMKKGSKVM PNIEKLRScG THAPYMRPVY DATA SEQUENCE PTKTFPNLYT LATGLYPESH GIVGNSMYDP VFDASFHLRG REKFNHRWWG DATA SEQUENCE GQPLWITATK QGVRAGTFFW SVSIPHERRI LTILQWLSLP DNERPSVYAF DATA SEQUENCE YSEQPDFSGH KYGPFGPEMT NPLREIDKTV GQLMDGLKQL RLHRcVNVIF DATA SEQUENCE VGDHGMEDVT CDRTEFLSNY LTNVDDITLV PGTLGRIRAK XXXXXXYDPK DATA SEQUENCE TIIAALTcKK PDQHFKPYMK QHLPKRLHYA NNRRIEDIHL LVDRRWHVAR DATA SEQUENCE KPXXXXXXXX XXXXFQGDHG FDNKVNSMQT VFVGYGPTFK YRTKVPPFEN DATA SEQUENCE IELYNVMCDL LGLKPAPNNG THGSLNHLLR TNTFRPTMPD EVSRPNYPGI DATA SEQUENCE MXXXXXXDLG cTcDXXXXXX XXXXXXXXXX XXXXXTEERH LLYGRPAVLY DATA SEQUENCE RTSYDILYHT DFESGYSEIF LMPLWTSYTI SKQAEVSSIP EHLTNcVRPD DATA SEQUENCE VRVSPGFSQN cLAYKNDKQM SYGFLFPPYL SSSPEAKYDA FLVTNMVPMY DATA SEQUENCE PAFKRVWAYF QRVLVKKYAS ERNGVNVISG PIFDYNYDGL RDTEDEIKQY DATA SEQUENCE VEGSSIPVPT HYYSIITScL DFTQPADKcD GPLSVSSFIL PHRPDNDESc DATA SEQUENCE NSSEDESKWV EELMKMHTAR VRDIEHLTGL DFYRKTSRSY SEILTLKTYL DATA SEQUENCE HTY 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 56 G HA2 0.000 nan 3.960 nan 0.000 0.244 56 G HA3 0.000 3.966 3.960 0.010 0.000 0.244 56 G C 0.000 174.922 174.900 0.037 0.000 0.946 56 G CA 0.000 45.114 45.100 0.023 0.000 0.502 57 S N -1.204 114.520 115.700 0.040 0.000 2.595 57 S HA 0.529 5.005 4.470 0.010 0.000 0.281 57 S C 0.574 175.208 174.600 0.057 0.000 1.117 57 S CA -0.340 57.891 58.200 0.051 0.000 0.873 57 S CB 1.364 64.590 63.200 0.043 0.000 1.108 57 S HN 0.331 nan 8.310 nan 0.000 0.477 58 c N 2.628 121.270 118.600 0.071 0.000 2.754 58 c HA 0.254 4.830 4.570 0.010 0.000 0.276 58 c C 0.554 174.672 174.090 0.047 0.000 1.264 58 c CA -0.455 55.921 56.329 0.079 0.000 1.700 58 c CB -2.032 40.560 42.510 0.136 0.000 1.885 58 c HN 0.766 nan 8.230 nan 0.000 0.607 59 K N 0.966 121.389 120.400 0.038 0.000 2.419 59 K HA 0.387 4.713 4.320 0.010 0.000 0.282 59 K C 0.929 177.552 176.600 0.038 0.000 1.056 59 K CA 0.778 57.083 56.287 0.031 0.000 1.035 59 K CB -0.172 32.344 32.500 0.027 0.000 0.921 59 K HN 0.279 nan 8.250 nan 0.000 0.472 60 G N 2.936 111.761 108.800 0.041 0.000 2.221 60 G HA2 -0.303 3.663 3.960 0.010 0.000 0.265 60 G HA3 -0.303 3.663 3.960 0.010 0.000 0.265 60 G C 0.370 175.311 174.900 0.068 0.000 1.041 60 G CA 0.374 45.506 45.100 0.053 0.000 0.807 60 G HN 0.773 nan 8.290 nan 0.000 0.502 61 R N -1.719 118.825 120.500 0.074 0.000 2.526 61 R HA 0.169 4.514 4.340 0.010 0.000 0.346 61 R C 0.863 177.228 176.300 0.109 0.000 0.926 61 R CA -0.102 56.053 56.100 0.092 0.000 1.147 61 R CB 0.178 30.523 30.300 0.076 0.000 1.629 61 R HN 0.359 nan 8.270 nan 0.000 0.516 62 c N 2.369 121.015 118.600 0.077 0.000 2.592 62 c HA 0.038 4.614 4.570 0.010 0.000 0.408 62 c C 0.570 174.767 174.090 0.177 0.000 1.436 62 c CA 0.432 56.758 56.329 -0.006 0.000 1.595 62 c CB -1.672 40.798 42.510 -0.066 0.000 2.487 62 c HN 0.621 nan 8.230 nan 0.000 0.610 63 F N 1.175 121.283 119.950 0.263 0.000 3.039 63 F HA -0.180 4.353 4.527 0.009 0.000 0.287 63 F C 0.952 177.022 175.800 0.450 0.000 0.956 63 F CA 1.101 59.313 58.000 0.352 0.000 0.971 63 F CB -1.802 37.340 39.000 0.237 0.000 0.943 63 F HN 0.778 nan 8.300 nan 0.000 0.766 64 E N 0.097 120.528 120.200 0.386 0.000 2.376 64 E HA 0.265 4.621 4.350 0.010 0.000 0.266 64 E C 0.723 177.446 176.600 0.204 0.000 1.009 64 E CA -0.508 56.055 56.400 0.272 0.000 0.902 64 E CB 0.870 30.665 29.700 0.158 0.000 0.972 64 E HN 0.524 nan 8.360 nan 0.000 0.439 65 L N 1.796 123.079 121.223 0.101 0.000 2.141 65 L HA -0.174 4.171 4.340 0.010 0.000 0.209 65 L C 1.483 178.337 176.870 -0.027 0.000 1.094 65 L CA 1.164 55.979 54.840 -0.041 0.000 0.763 65 L CB -0.564 41.397 42.059 -0.163 0.000 0.908 65 L HN 0.672 nan 8.230 nan 0.000 0.437 66 Q N 0.522 120.321 119.800 -0.001 0.000 2.299 66 Q HA 0.226 4.572 4.340 0.010 0.000 0.246 66 Q C -0.441 175.555 176.000 -0.006 0.000 0.935 66 Q CA -0.344 55.453 55.803 -0.010 0.000 0.887 66 Q CB 1.170 29.904 28.738 -0.006 0.000 1.223 66 Q HN 0.088 nan 8.270 nan 0.000 0.439 67 E N 1.864 122.048 120.200 -0.027 0.000 2.174 67 E HA 0.347 4.703 4.350 0.010 0.000 0.282 67 E C -1.406 175.168 176.600 -0.043 0.000 0.992 67 E CA -0.620 55.755 56.400 -0.042 0.000 0.803 67 E CB 1.773 31.432 29.700 -0.068 0.000 1.090 67 E HN 0.485 nan 8.360 nan 0.000 0.396 68 V N 3.863 123.751 119.914 -0.043 0.000 2.975 68 V HA 0.786 4.912 4.120 0.010 0.000 0.318 68 V C 0.296 176.356 176.094 -0.055 0.000 1.077 68 V CA 0.838 63.114 62.300 -0.039 0.000 1.000 68 V CB 1.351 33.161 31.823 -0.022 0.000 1.066 68 V HN 1.015 nan 8.190 nan 0.000 0.452 69 G N 4.506 113.278 108.800 -0.046 0.000 2.782 69 G HA2 -0.105 3.861 3.960 0.010 0.000 0.228 69 G HA3 -0.105 3.861 3.960 0.010 0.000 0.228 69 G C -2.448 172.417 174.900 -0.058 0.000 1.372 69 G CA -0.239 44.831 45.100 -0.050 0.000 0.862 69 G HN 0.950 nan 8.290 nan 0.000 0.547 70 P HA 0.495 nan 4.420 nan 0.000 0.276 70 P C -1.704 175.574 177.300 -0.035 0.000 1.244 70 P CA -0.956 62.114 63.100 -0.049 0.000 0.801 70 P CB 0.872 32.542 31.700 -0.049 0.000 1.006 71 P HA 0.152 nan 4.420 nan 0.000 0.267 71 P C 0.091 177.372 177.300 -0.030 0.000 1.289 71 P CA 0.203 63.284 63.100 -0.031 0.000 0.866 71 P CB -0.261 31.425 31.700 -0.024 0.000 1.309 72 D N 1.072 121.455 120.400 -0.029 0.000 2.493 72 D HA 0.173 4.819 4.640 0.010 0.000 0.240 72 D C 0.682 176.962 176.300 -0.033 0.000 1.142 72 D CA -0.060 53.926 54.000 -0.024 0.000 0.872 72 D CB -0.151 40.638 40.800 -0.019 0.000 1.173 72 D HN 0.510 nan 8.370 nan 0.000 0.467 73 c N 2.022 120.605 118.600 -0.028 0.000 2.648 73 c HA 0.600 5.175 4.570 0.010 0.000 0.419 73 c C 0.643 174.701 174.090 -0.053 0.000 1.352 73 c CA -1.240 55.064 56.329 -0.042 0.000 1.816 73 c CB -0.946 41.549 42.510 -0.025 0.000 2.598 73 c HN 0.676 nan 8.230 nan 0.000 0.598 74 R N 2.418 122.861 120.500 -0.095 0.000 2.500 74 R HA 0.477 4.823 4.340 0.010 0.000 0.275 74 R C -0.087 176.117 176.300 -0.160 0.000 1.051 74 R CA -0.448 55.587 56.100 -0.109 0.000 1.088 74 R CB 0.636 30.860 30.300 -0.128 0.000 1.063 74 R HN 0.874 nan 8.270 nan 0.000 0.511 75 c N 1.167 119.726 118.600 -0.067 0.000 2.969 75 c HA 0.176 4.752 4.570 0.010 0.000 0.260 75 c C -0.501 173.672 174.090 0.138 0.000 1.618 75 c CA -0.816 55.545 56.329 0.053 0.000 1.774 75 c CB -1.528 41.077 42.510 0.158 0.000 3.063 75 c HN 0.886 nan 8.230 nan 0.000 0.506 76 D N -0.164 120.257 120.400 0.035 0.000 2.387 76 D HA 0.253 4.899 4.640 0.010 0.000 0.255 76 D C 0.483 176.915 176.300 0.219 0.000 1.081 76 D CA -0.637 53.459 54.000 0.161 0.000 0.994 76 D CB 0.417 41.279 40.800 0.104 0.000 1.127 76 D HN 0.236 nan 8.370 nan 0.000 0.513 77 N N -0.078 118.852 118.700 0.383 0.000 2.485 77 N HA -0.025 4.721 4.740 0.010 0.000 0.199 77 N C 0.312 175.969 175.510 0.246 0.000 1.236 77 N CA 0.157 53.475 53.050 0.446 0.000 0.852 77 N CB 0.166 38.961 38.487 0.514 0.000 1.018 77 N HN 0.242 nan 8.380 nan 0.000 0.457 78 L N -0.055 121.264 121.223 0.161 0.000 2.803 78 L HA 0.189 4.535 4.340 0.010 0.000 0.246 78 L C 1.895 178.882 176.870 0.195 0.000 1.100 78 L CA 0.268 55.212 54.840 0.174 0.000 0.919 78 L CB -0.788 41.374 42.059 0.172 0.000 1.285 78 L HN 0.570 nan 8.230 nan 0.000 0.522 79 c N -0.399 118.231 118.600 0.050 0.000 2.403 79 c HA -0.145 4.431 4.570 0.010 0.000 0.279 79 c C 2.471 176.538 174.090 -0.038 0.000 1.269 79 c CA 0.307 56.612 56.329 -0.041 0.000 1.774 79 c CB -0.745 41.606 42.510 -0.264 0.000 1.993 79 c HN 0.313 nan 8.230 nan 0.000 0.496 80 K N 1.417 121.800 120.400 -0.028 0.000 2.057 80 K HA -0.087 4.239 4.320 0.010 0.000 0.207 80 K C 2.380 178.977 176.600 -0.005 0.000 1.049 80 K CA 1.829 58.119 56.287 0.004 0.000 0.931 80 K CB -0.443 32.112 32.500 0.092 0.000 0.714 80 K HN 0.611 nan 8.250 nan 0.000 0.440 81 S N 0.189 115.884 115.700 -0.009 0.000 2.406 81 S HA -0.066 4.410 4.470 0.010 0.000 0.228 81 S C 1.665 176.021 174.600 -0.407 0.000 1.020 81 S CA 0.865 58.986 58.200 -0.132 0.000 0.965 81 S CB -0.184 62.998 63.200 -0.030 0.000 0.798 81 S HN 0.313 nan 8.310 nan 0.000 0.488 82 Y N 2.196 122.378 120.300 -0.196 0.000 2.511 82 Y HA 0.104 4.661 4.550 0.012 0.000 0.279 82 Y C 1.373 177.158 175.900 -0.191 0.000 1.157 82 Y CA 0.247 58.189 58.100 -0.262 0.000 1.300 82 Y CB -0.207 38.141 38.460 -0.187 0.000 1.052 82 Y HN 0.318 nan 8.280 nan 0.000 0.529 83 S N 0.239 115.918 115.700 -0.034 0.000 3.608 83 S HA -0.204 4.271 4.470 0.010 0.000 0.382 83 S C 0.163 174.740 174.600 -0.039 0.000 0.945 83 S CA 0.527 58.701 58.200 -0.045 0.000 1.256 83 S CB -2.147 61.019 63.200 -0.056 0.000 0.913 83 S HN 0.651 nan 8.310 nan 0.000 0.518 84 S N -2.112 113.555 115.700 -0.054 0.000 2.901 84 S HA 0.563 5.039 4.470 0.010 0.000 0.248 84 S C 0.358 174.881 174.600 -0.128 0.000 1.021 84 S CA -0.145 58.012 58.200 -0.072 0.000 1.090 84 S CB -0.627 62.535 63.200 -0.063 0.000 1.039 84 S HN 0.838 nan 8.310 nan 0.000 0.514 85 c N 1.403 119.899 118.600 -0.173 0.000 2.351 85 c HA 0.693 5.269 4.570 0.010 0.000 0.359 85 c C 1.305 175.335 174.090 -0.100 0.000 1.193 85 c CA -0.886 55.275 56.329 -0.279 0.000 2.270 85 c CB -0.044 42.130 42.510 -0.560 0.000 2.369 85 c HN 0.725 nan 8.230 nan 0.000 0.553 86 c N 0.281 118.857 118.600 -0.040 0.000 2.580 86 c HA 0.125 4.701 4.570 0.010 0.000 0.371 86 c C 1.995 176.161 174.090 0.128 0.000 1.308 86 c CA 0.023 56.389 56.329 0.061 0.000 2.428 86 c CB -0.682 41.875 42.510 0.079 0.000 2.529 86 c HN 1.098 nan 8.230 nan 0.000 0.657 87 H N 1.161 120.260 119.070 0.050 0.000 2.387 87 H HA -0.114 4.448 4.556 0.010 0.000 0.299 87 H C 1.562 176.936 175.328 0.077 0.000 1.090 87 H CA 2.425 58.506 56.048 0.056 0.000 1.332 87 H CB -0.115 29.667 29.762 0.033 0.000 1.386 87 H HN 0.865 nan 8.280 nan 0.000 0.516 88 D N -1.109 119.328 120.400 0.062 0.000 2.363 88 D HA -0.118 4.528 4.640 0.010 0.000 0.226 88 D C 1.847 178.159 176.300 0.022 0.000 1.020 88 D CA 0.106 54.112 54.000 0.010 0.000 0.892 88 D CB -0.810 40.022 40.800 0.055 0.000 0.900 88 D HN 0.430 nan 8.370 nan 0.000 0.531 89 F N 1.755 121.657 119.950 -0.081 0.000 2.102 89 F HA -0.137 4.395 4.527 0.009 0.000 0.298 89 F C 1.137 176.881 175.800 -0.094 0.000 1.105 89 F CA 1.600 59.547 58.000 -0.089 0.000 1.239 89 F CB -0.202 38.751 39.000 -0.079 0.000 0.991 89 F HN -0.178 nan 8.300 nan 0.000 0.474 90 D N -0.348 120.033 120.400 -0.031 0.000 2.219 90 D HA -0.141 4.504 4.640 0.010 0.000 0.205 90 D C 1.869 178.083 176.300 -0.142 0.000 0.970 90 D CA 1.531 55.471 54.000 -0.100 0.000 0.851 90 D CB -0.071 40.713 40.800 -0.027 0.000 0.943 90 D HN 0.501 nan 8.370 nan 0.000 0.488 91 E N -0.234 119.885 120.200 -0.134 0.000 2.127 91 E HA 0.070 4.426 4.350 0.010 0.000 0.191 91 E C 1.951 178.487 176.600 -0.105 0.000 0.964 91 E CA 0.255 56.593 56.400 -0.103 0.000 0.832 91 E CB 0.108 29.760 29.700 -0.080 0.000 0.790 91 E HN 0.184 nan 8.360 nan 0.000 0.465 92 L N 0.306 121.454 121.223 -0.125 0.000 2.068 92 L HA -0.113 4.232 4.340 0.010 0.000 0.204 92 L C 2.293 179.066 176.870 -0.161 0.000 1.076 92 L CA 0.852 55.626 54.840 -0.111 0.000 0.753 92 L CB -0.208 41.803 42.059 -0.079 0.000 0.910 92 L HN 0.298 nan 8.230 nan 0.000 0.439 93 c N -0.871 117.523 118.600 -0.344 0.000 2.505 93 c HA 0.135 4.711 4.570 0.010 0.000 0.279 93 c C 1.190 175.153 174.090 -0.211 0.000 1.316 93 c CA -0.506 55.568 56.329 -0.426 0.000 1.720 93 c CB -0.526 41.357 42.510 -1.045 0.000 2.050 93 c HN 0.171 nan 8.230 nan 0.000 0.493 94 L N 2.089 123.167 121.223 -0.242 0.000 2.259 94 L HA 0.331 4.677 4.340 0.010 0.000 0.288 94 L C -0.151 176.705 176.870 -0.023 0.000 1.051 94 L CA 0.585 55.394 54.840 -0.052 0.000 0.824 94 L CB 0.158 42.185 42.059 -0.052 0.000 1.206 94 L HN 0.182 nan 8.230 nan 0.000 0.429 95 K N 1.613 122.030 120.400 0.027 0.000 2.345 95 K HA 0.514 4.839 4.320 0.010 0.000 0.255 95 K C 0.104 176.632 176.600 -0.119 0.000 0.934 95 K CA -0.478 55.783 56.287 -0.044 0.000 0.801 95 K CB 2.292 34.757 32.500 -0.060 0.000 1.137 95 K HN 0.442 nan 8.250 nan 0.000 0.424 96 T N -0.217 114.218 114.554 -0.198 0.000 3.038 96 T HA 0.090 4.446 4.350 0.010 0.000 0.244 96 T C 0.647 175.096 174.700 -0.419 0.000 1.016 96 T CA -0.225 61.666 62.100 -0.348 0.000 1.098 96 T CB 0.295 69.055 68.868 -0.180 0.000 0.954 96 T HN 0.693 nan 8.240 nan 0.000 0.469 97 A N 2.411 125.069 122.820 -0.271 0.000 2.592 97 A HA 0.096 4.422 4.320 0.010 0.000 0.250 97 A C 0.847 178.268 177.584 -0.270 0.000 1.017 97 A CA 0.491 52.392 52.037 -0.227 0.000 0.794 97 A CB -0.610 18.293 19.000 -0.162 0.000 0.917 97 A HN 0.598 nan 8.150 nan 0.000 0.515 98 R N 0.757 121.121 120.500 -0.227 0.000 3.875 98 R HA -0.201 4.144 4.340 0.010 0.000 0.321 98 R C 1.065 177.212 176.300 -0.256 0.000 1.196 98 R CA 1.208 57.189 56.100 -0.198 0.000 0.868 98 R CB -2.378 27.836 30.300 -0.143 0.000 1.333 98 R HN 2.821 nan 8.270 nan 0.000 0.522 99 G N -0.921 107.630 108.800 -0.415 0.000 2.645 99 G HA2 -0.300 3.666 3.960 0.010 0.000 0.246 99 G HA3 -0.300 3.666 3.960 0.010 0.000 0.246 99 G C 0.014 174.544 174.900 -0.615 0.000 1.322 99 G CA 0.282 45.032 45.100 -0.583 0.000 0.898 99 G HN 0.342 nan 8.290 nan 0.000 0.573 100 W N 0.424 121.708 121.300 -0.027 0.000 2.991 100 W HA 0.568 5.234 4.660 0.010 0.000 0.391 100 W C 0.780 177.291 176.519 -0.013 0.000 1.054 100 W CA -0.141 57.187 57.345 -0.028 0.000 1.856 100 W CB 0.557 30.000 29.460 -0.028 0.000 1.132 100 W HN 0.508 nan 8.180 nan 0.000 0.601 101 E N 0.562 120.836 120.200 0.124 0.000 2.210 101 E HA 0.323 4.679 4.350 0.010 0.000 0.266 101 E C -1.057 175.577 176.600 0.056 0.000 0.883 101 E CA -0.839 55.619 56.400 0.096 0.000 0.761 101 E CB 2.219 31.971 29.700 0.087 0.000 1.156 101 E HN -0.135 nan 8.360 nan 0.000 0.412 102 c N 3.431 122.075 118.600 0.072 0.000 2.285 102 c HA 0.450 5.025 4.570 0.010 0.000 0.335 102 c C 0.569 174.685 174.090 0.043 0.000 1.267 102 c CA -0.225 56.145 56.329 0.068 0.000 1.762 102 c CB -0.880 41.705 42.510 0.125 0.000 2.365 102 c HN 0.788 nan 8.230 nan 0.000 0.527 103 T N 2.716 117.285 114.554 0.026 0.000 2.927 103 T HA 0.343 4.699 4.350 0.010 0.000 0.281 103 T C 0.993 175.694 174.700 0.003 0.000 0.998 103 T CA -0.675 61.432 62.100 0.012 0.000 1.019 103 T CB 1.121 69.992 68.868 0.006 0.000 1.061 103 T HN 0.711 nan 8.240 nan 0.000 0.518 104 K N 0.188 120.584 120.400 -0.007 0.000 2.147 104 K HA -0.103 4.223 4.320 0.010 0.000 0.205 104 K C 1.351 177.945 176.600 -0.010 0.000 1.049 104 K CA 1.460 57.738 56.287 -0.016 0.000 0.936 104 K CB -0.050 32.439 32.500 -0.018 0.000 0.722 104 K HN 0.599 nan 8.250 nan 0.000 0.446 105 D N -0.156 120.241 120.400 -0.004 0.000 2.347 105 D HA -0.071 4.575 4.640 0.010 0.000 0.213 105 D C 1.644 177.946 176.300 0.004 0.000 0.985 105 D CA 0.572 54.571 54.000 -0.002 0.000 0.879 105 D CB 0.218 41.016 40.800 -0.003 0.000 0.919 105 D HN 0.140 nan 8.370 nan 0.000 0.526 106 R N 0.087 120.593 120.500 0.010 0.000 2.254 106 R HA 0.078 4.424 4.340 0.010 0.000 0.195 106 R C 0.404 176.729 176.300 0.041 0.000 0.957 106 R CA -0.024 56.090 56.100 0.022 0.000 1.024 106 R CB 0.308 30.621 30.300 0.022 0.000 0.952 106 R HN 0.017 nan 8.270 nan 0.000 0.484 107 c N 1.666 120.284 118.600 0.031 0.000 2.634 107 c HA 0.299 4.875 4.570 0.010 0.000 0.418 107 c C 1.042 175.156 174.090 0.039 0.000 1.373 107 c CA 0.545 56.894 56.329 0.034 0.000 1.756 107 c CB -0.159 42.336 42.510 -0.026 0.000 2.589 107 c HN 0.786 nan 8.230 nan 0.000 0.602 108 G N 3.661 112.504 108.800 0.071 0.000 2.470 108 G HA2 -0.114 3.852 3.960 0.010 0.000 0.286 108 G HA3 -0.114 3.852 3.960 0.010 0.000 0.286 108 G C -0.518 174.413 174.900 0.051 0.000 1.115 108 G CA 0.310 45.446 45.100 0.059 0.000 1.122 108 G HN 0.954 nan 8.290 nan 0.000 0.522 109 E N -1.274 118.965 120.200 0.065 0.000 2.339 109 E HA 0.759 5.115 4.350 0.010 0.000 0.262 109 E C -0.367 176.262 176.600 0.048 0.000 0.934 109 E CA -1.265 55.165 56.400 0.050 0.000 0.802 109 E CB 2.514 32.245 29.700 0.051 0.000 1.275 109 E HN 0.701 nan 8.360 nan 0.000 0.427 110 V N 1.304 121.241 119.914 0.037 0.000 2.465 110 V HA 0.242 4.368 4.120 0.010 0.000 0.279 110 V C 0.049 176.170 176.094 0.044 0.000 1.045 110 V CA -0.526 61.793 62.300 0.032 0.000 0.938 110 V CB 1.111 32.947 31.823 0.022 0.000 0.986 110 V HN 0.736 nan 8.190 nan 0.000 0.467 111 R N 5.982 126.506 120.500 0.041 0.000 2.458 111 R HA 0.074 4.420 4.340 0.010 0.000 0.303 111 R C -0.023 176.320 176.300 0.072 0.000 1.013 111 R CA 0.298 56.437 56.100 0.065 0.000 1.026 111 R CB 0.030 30.318 30.300 -0.020 0.000 0.948 111 R HN 0.898 nan 8.270 nan 0.000 0.417 112 N N 3.395 122.169 118.700 0.123 0.000 2.407 112 N HA 0.003 4.749 4.740 0.010 0.000 0.277 112 N C -0.860 174.732 175.510 0.136 0.000 0.995 112 N CA -0.380 52.720 53.050 0.083 0.000 0.903 112 N CB 1.631 40.141 38.487 0.038 0.000 1.218 112 N HN 0.548 nan 8.380 nan 0.000 0.487 113 E N 2.256 122.516 120.200 0.100 0.000 2.424 113 E HA 0.055 4.410 4.350 0.010 0.000 0.237 113 E C 0.010 176.641 176.600 0.053 0.000 1.381 113 E CA 0.450 56.916 56.400 0.111 0.000 1.587 113 E CB 0.018 29.756 29.700 0.063 0.000 1.398 113 E HN 0.623 nan 8.360 nan 0.000 0.439 114 E N -0.970 119.240 120.200 0.016 0.000 2.467 114 E HA 0.113 4.469 4.350 0.010 0.000 0.213 114 E C -0.078 176.470 176.600 -0.087 0.000 0.823 114 E CA -0.233 56.148 56.400 -0.031 0.000 1.233 114 E CB 0.403 30.084 29.700 -0.032 0.000 1.233 114 E HN 0.169 nan 8.360 nan 0.000 0.585 115 N N 1.047 119.665 118.700 -0.136 0.000 2.482 115 N HA 0.087 4.833 4.740 0.010 0.000 0.260 115 N C 0.647 175.978 175.510 -0.299 0.000 1.236 115 N CA 0.408 53.316 53.050 -0.236 0.000 0.938 115 N CB 1.228 39.552 38.487 -0.273 0.000 1.128 115 N HN 0.040 nan 8.380 nan 0.000 0.448 116 A N 1.201 123.845 122.820 -0.293 0.000 1.821 116 A HA -0.075 4.251 4.320 0.010 0.000 0.215 116 A C 0.914 178.393 177.584 -0.175 0.000 1.214 116 A CA 1.169 53.069 52.037 -0.228 0.000 0.608 116 A CB -0.679 18.068 19.000 -0.421 0.000 0.862 116 A HN 0.833 nan 8.150 nan 0.000 0.448 117 c N -1.639 116.855 118.600 -0.177 0.000 2.382 117 c HA 0.781 5.356 4.570 0.010 0.000 0.327 117 c C -0.141 173.811 174.090 -0.230 0.000 1.250 117 c CA -1.338 54.923 56.329 -0.114 0.000 1.707 117 c CB 0.082 42.621 42.510 0.047 0.000 2.272 117 c HN 0.552 nan 8.230 nan 0.000 0.506 118 H N 1.030 120.080 119.070 -0.033 0.000 2.511 118 H HA 0.293 4.855 4.556 0.010 0.000 0.346 118 H C 0.078 175.361 175.328 -0.074 0.000 1.128 118 H CA -0.186 55.830 56.048 -0.054 0.000 1.342 118 H CB 1.388 31.108 29.762 -0.070 0.000 1.470 118 H HN 0.882 nan 8.280 nan 0.000 0.546 119 c N 1.801 120.453 118.600 0.086 0.000 3.125 119 c HA 0.086 4.662 4.570 0.010 0.000 0.284 119 c C 1.146 175.337 174.090 0.168 0.000 1.386 119 c CA -0.317 56.095 56.329 0.139 0.000 1.763 119 c CB -1.144 41.470 42.510 0.174 0.000 2.377 119 c HN 0.754 nan 8.230 nan 0.000 0.620 120 S N 0.586 116.324 115.700 0.064 0.000 2.617 120 S HA 0.246 4.721 4.470 0.010 0.000 0.269 120 S C 0.901 175.510 174.600 0.016 0.000 1.292 120 S CA -0.125 58.109 58.200 0.058 0.000 1.010 120 S CB 0.956 64.171 63.200 0.026 0.000 0.944 120 S HN 0.377 nan 8.310 nan 0.000 0.536 121 E N 1.330 121.576 120.200 0.078 0.000 2.153 121 E HA -0.176 4.180 4.350 0.010 0.000 0.194 121 E C 1.209 177.813 176.600 0.007 0.000 0.988 121 E CA 1.683 58.140 56.400 0.095 0.000 0.811 121 E CB -0.500 29.255 29.700 0.092 0.000 0.746 121 E HN 0.970 nan 8.360 nan 0.000 0.466 122 D N -0.077 120.306 120.400 -0.028 0.000 2.363 122 D HA -0.102 4.544 4.640 0.010 0.000 0.226 122 D C 2.039 178.282 176.300 -0.094 0.000 1.020 122 D CA 0.588 54.559 54.000 -0.050 0.000 0.892 122 D CB -0.716 40.056 40.800 -0.047 0.000 0.900 122 D HN 0.245 nan 8.370 nan 0.000 0.531 123 c N -0.847 117.663 118.600 -0.151 0.000 2.435 123 c HA 0.098 4.674 4.570 0.010 0.000 0.279 123 c C 2.377 176.378 174.090 -0.148 0.000 1.321 123 c CA -0.155 56.061 56.329 -0.187 0.000 1.752 123 c CB -1.524 40.822 42.510 -0.273 0.000 1.959 123 c HN 0.357 nan 8.230 nan 0.000 0.500 124 L N 2.625 123.770 121.223 -0.130 0.000 2.046 124 L HA -0.122 4.224 4.340 0.010 0.000 0.208 124 L C 3.142 179.999 176.870 -0.021 0.000 1.077 124 L CA 2.147 56.953 54.840 -0.055 0.000 0.747 124 L CB -0.447 41.612 42.059 -0.000 0.000 0.896 124 L HN 0.641 nan 8.230 nan 0.000 0.432 125 S N -0.980 114.707 115.700 -0.022 0.000 2.428 125 S HA -0.095 4.381 4.470 0.010 0.000 0.230 125 S C 2.034 176.629 174.600 -0.009 0.000 1.014 125 S CA 0.413 58.609 58.200 -0.006 0.000 0.957 125 S CB -0.197 62.999 63.200 -0.007 0.000 0.784 125 S HN 0.354 nan 8.310 nan 0.000 0.499 126 R N 1.149 121.630 120.500 -0.032 0.000 2.048 126 R HA 0.264 4.610 4.340 0.010 0.000 0.221 126 R C 1.428 177.722 176.300 -0.009 0.000 1.174 126 R CA 0.915 56.996 56.100 -0.031 0.000 0.971 126 R CB -0.619 29.636 30.300 -0.074 0.000 0.863 126 R HN 0.588 nan 8.270 nan 0.000 0.439 127 G N 2.468 111.255 108.800 -0.021 0.000 2.186 127 G HA2 -0.123 3.843 3.960 0.010 0.000 0.130 127 G HA3 -0.123 3.843 3.960 0.010 0.000 0.130 127 G C -0.615 174.281 174.900 -0.006 0.000 1.031 127 G CA 0.215 45.312 45.100 -0.005 0.000 0.697 127 G HN 0.485 nan 8.290 nan 0.000 0.494 128 D N -0.576 119.817 120.400 -0.011 0.000 2.650 128 D HA 0.326 4.971 4.640 0.010 0.000 0.265 128 D C 0.967 177.294 176.300 0.045 0.000 1.339 128 D CA -0.317 53.710 54.000 0.045 0.000 0.816 128 D CB -0.862 40.014 40.800 0.125 0.000 1.091 128 D HN 0.300 nan 8.370 nan 0.000 0.483 129 c N 0.388 118.959 118.600 -0.048 0.000 2.656 129 c HA 0.426 5.002 4.570 0.010 0.000 0.391 129 c C 1.205 175.292 174.090 -0.005 0.000 1.300 129 c CA -0.878 55.383 56.329 -0.114 0.000 2.302 129 c CB 0.360 42.714 42.510 -0.260 0.000 2.655 129 c HN 0.478 nan 8.230 nan 0.000 0.656 130 c N 1.356 119.981 118.600 0.042 0.000 2.604 130 c HA 0.200 4.776 4.570 0.010 0.000 0.396 130 c C 2.296 176.448 174.090 0.104 0.000 1.282 130 c CA 0.007 56.392 56.329 0.093 0.000 2.292 130 c CB 0.323 42.903 42.510 0.116 0.000 2.633 130 c HN 1.051 nan 8.230 nan 0.000 0.620 131 T N 1.587 116.190 114.554 0.082 0.000 2.778 131 T HA -0.178 4.178 4.350 0.010 0.000 0.269 131 T C 1.262 176.013 174.700 0.085 0.000 1.050 131 T CA 2.284 64.420 62.100 0.061 0.000 1.137 131 T CB -0.533 68.351 68.868 0.027 0.000 0.860 131 T HN 0.870 nan 8.240 nan 0.000 0.468 132 N N 0.150 118.913 118.700 0.106 0.000 2.380 132 N HA 0.046 4.792 4.740 0.010 0.000 0.255 132 N C 0.783 176.340 175.510 0.078 0.000 1.158 132 N CA -0.398 52.702 53.050 0.083 0.000 0.878 132 N CB -0.818 37.730 38.487 0.100 0.000 1.138 132 N HN 0.465 nan 8.380 nan 0.000 0.509 133 Y N 1.241 121.540 120.300 -0.002 0.000 2.133 133 Y HA -0.085 4.471 4.550 0.010 0.000 0.287 133 Y C 2.399 178.286 175.900 -0.021 0.000 1.134 133 Y CA 1.869 59.967 58.100 -0.003 0.000 1.133 133 Y CB 0.005 38.471 38.460 0.010 0.000 0.987 133 Y HN 0.234 nan 8.280 nan 0.000 0.502 134 Q N -0.600 119.183 119.800 -0.029 0.000 2.224 134 Q HA -0.128 4.218 4.340 0.010 0.000 0.203 134 Q C 2.022 177.923 176.000 -0.165 0.000 0.970 134 Q CA 1.646 57.379 55.803 -0.115 0.000 0.865 134 Q CB -0.002 28.735 28.738 -0.002 0.000 0.922 134 Q HN 0.469 nan 8.270 nan 0.000 0.445 135 V N -0.733 119.081 119.914 -0.166 0.000 2.346 135 V HA -0.178 3.948 4.120 0.010 0.000 0.244 135 V C 2.074 178.059 176.094 -0.183 0.000 1.037 135 V CA 1.234 63.395 62.300 -0.232 0.000 1.029 135 V CB -0.218 31.363 31.823 -0.404 0.000 0.663 135 V HN 0.186 nan 8.190 nan 0.000 0.454 136 V N -0.858 118.965 119.914 -0.151 0.000 2.283 136 V HA -0.176 3.950 4.120 0.010 0.000 0.239 136 V C 2.504 178.501 176.094 -0.162 0.000 1.035 136 V CA 2.053 64.281 62.300 -0.120 0.000 1.018 136 V CB -0.511 31.273 31.823 -0.064 0.000 0.658 136 V HN 0.593 nan 8.190 nan 0.000 0.459 137 c N 0.013 118.451 118.600 -0.270 0.000 2.508 137 c HA -0.071 4.505 4.570 0.010 0.000 0.280 137 c C 2.743 176.671 174.090 -0.271 0.000 1.262 137 c CA 0.980 57.118 56.329 -0.318 0.000 1.706 137 c CB -0.820 41.359 42.510 -0.551 0.000 2.078 137 c HN 0.510 nan 8.230 nan 0.000 0.480 138 K N 0.771 120.977 120.400 -0.322 0.000 2.211 138 K HA 0.134 4.460 4.320 0.010 0.000 0.203 138 K C 1.013 177.534 176.600 -0.132 0.000 1.050 138 K CA 1.095 57.264 56.287 -0.195 0.000 0.945 138 K CB -0.589 31.809 32.500 -0.169 0.000 0.732 138 K HN 0.593 nan 8.250 nan 0.000 0.451 139 G N 0.896 109.612 108.800 -0.140 0.000 2.401 139 G HA2 -0.224 3.742 3.960 0.010 0.000 0.283 139 G HA3 -0.224 3.742 3.960 0.010 0.000 0.283 139 G C -0.506 174.335 174.900 -0.098 0.000 1.117 139 G CA 0.255 45.290 45.100 -0.108 0.000 1.051 139 G HN 0.363 nan 8.290 nan 0.000 0.510 140 E N -0.763 119.365 120.200 -0.120 0.000 2.355 140 E HA 0.694 5.050 4.350 0.010 0.000 0.261 140 E C 0.095 176.607 176.600 -0.145 0.000 0.943 140 E CA -0.492 55.843 56.400 -0.108 0.000 0.806 140 E CB 1.892 31.536 29.700 -0.092 0.000 1.286 140 E HN 0.280 nan 8.360 nan 0.000 0.424 141 S N -0.330 115.301 115.700 -0.116 0.000 2.632 141 S HA 0.204 4.680 4.470 0.010 0.000 0.271 141 S C -0.360 174.163 174.600 -0.129 0.000 1.260 141 S CA -0.578 57.555 58.200 -0.112 0.000 1.010 141 S CB 0.424 63.593 63.200 -0.053 0.000 0.965 141 S HN 0.366 nan 8.310 nan 0.000 0.534 142 H N 1.527 120.586 119.070 -0.017 0.000 2.615 142 H HA 0.039 4.601 4.556 0.010 0.000 0.363 142 H C 0.568 175.915 175.328 0.031 0.000 1.148 142 H CA 0.287 56.344 56.048 0.015 0.000 1.401 142 H CB 0.353 30.120 29.762 0.009 0.000 1.461 142 H HN 0.973 nan 8.280 nan 0.000 0.588 143 W N 3.303 124.616 121.300 0.023 0.000 2.338 143 W HA -0.211 4.455 4.660 0.010 0.000 0.304 143 W C 1.949 178.440 176.519 -0.046 0.000 1.212 143 W CA 1.654 58.969 57.345 -0.051 0.000 1.264 143 W CB -0.502 28.907 29.460 -0.084 0.000 1.142 143 W HN 0.387 nan 8.180 nan 0.000 0.512 144 V N 1.372 121.265 119.914 -0.036 0.000 2.490 144 V HA -0.268 3.858 4.120 0.010 0.000 0.250 144 V C 1.770 177.700 176.094 -0.274 0.000 1.061 144 V CA 2.685 64.819 62.300 -0.277 0.000 1.064 144 V CB -0.602 31.182 31.823 -0.064 0.000 0.670 144 V HN 0.141 nan 8.190 nan 0.000 0.461 145 D N -0.471 119.847 120.400 -0.138 0.000 2.277 145 D HA -0.018 4.628 4.640 0.010 0.000 0.208 145 D C 0.614 176.828 176.300 -0.143 0.000 0.962 145 D CA 0.412 54.347 54.000 -0.107 0.000 0.865 145 D CB -0.089 40.697 40.800 -0.022 0.000 0.939 145 D HN 0.539 nan 8.370 nan 0.000 0.510 146 D N 1.807 122.088 120.400 -0.198 0.000 2.362 146 D HA 0.033 4.679 4.640 0.010 0.000 0.242 146 D C 0.353 176.529 176.300 -0.207 0.000 1.132 146 D CA 0.225 54.116 54.000 -0.182 0.000 0.907 146 D CB 1.189 41.880 40.800 -0.182 0.000 1.195 146 D HN -0.027 nan 8.370 nan 0.000 0.429 147 D N 0.314 120.640 120.400 -0.124 0.000 2.362 147 D HA -0.009 4.637 4.640 0.010 0.000 0.242 147 D C -0.100 176.153 176.300 -0.078 0.000 1.132 147 D CA -0.004 53.940 54.000 -0.093 0.000 0.907 147 D CB 1.304 42.077 40.800 -0.045 0.000 1.195 147 D HN 0.243 nan 8.370 nan 0.000 0.429 148 c N 2.422 120.998 118.600 -0.041 0.000 2.555 148 c HA 0.154 4.730 4.570 0.010 0.000 0.385 148 c C 0.311 174.479 174.090 0.129 0.000 1.296 148 c CA -0.003 56.352 56.329 0.043 0.000 1.757 148 c CB -1.106 41.434 42.510 0.050 0.000 2.445 148 c HN 0.447 nan 8.230 nan 0.000 0.571 149 E N 3.137 123.424 120.200 0.145 0.000 2.266 149 E HA 0.291 4.647 4.350 0.010 0.000 0.268 149 E C -0.879 175.728 176.600 0.013 0.000 0.879 149 E CA -0.451 55.998 56.400 0.082 0.000 0.762 149 E CB 1.346 31.070 29.700 0.040 0.000 1.199 149 E HN 0.816 nan 8.360 nan 0.000 0.422 150 E N 3.368 123.397 120.200 -0.284 0.000 2.415 150 E HA 0.063 4.419 4.350 0.010 0.000 0.263 150 E C -0.867 175.570 176.600 -0.271 0.000 0.995 150 E CA 0.177 56.199 56.400 -0.631 0.000 0.915 150 E CB 0.410 29.563 29.700 -0.913 0.000 0.951 150 E HN 0.347 nan 8.360 nan 0.000 0.449 151 I N 5.664 126.113 120.570 -0.202 0.000 2.460 151 I HA 0.192 4.368 4.170 0.010 0.000 0.277 151 I C 0.957 177.007 176.117 -0.112 0.000 1.057 151 I CA -0.473 60.753 61.300 -0.122 0.000 1.179 151 I CB 1.129 39.067 38.000 -0.102 0.000 1.329 151 I HN 0.606 nan 8.210 nan 0.000 0.478 152 K N 3.686 124.021 120.400 -0.108 0.000 2.099 152 K HA 0.195 4.521 4.320 0.010 0.000 0.203 152 K C 0.317 176.883 176.600 -0.057 0.000 1.047 152 K CA 0.912 57.151 56.287 -0.079 0.000 0.963 152 K CB 0.606 33.058 32.500 -0.080 0.000 0.759 152 K HN 0.367 nan 8.250 nan 0.000 0.451 153 V N 3.270 123.149 119.914 -0.059 0.000 2.495 153 V HA 0.276 4.402 4.120 0.010 0.000 0.298 153 V C -2.507 173.553 176.094 -0.057 0.000 1.031 153 V CA -2.116 60.155 62.300 -0.049 0.000 0.871 153 V CB 1.406 33.204 31.823 -0.042 0.000 0.988 153 V HN 0.210 nan 8.190 nan 0.000 0.432 154 P HA 0.154 nan 4.420 nan 0.000 0.266 154 P C -0.233 177.019 177.300 -0.079 0.000 1.215 154 P CA 0.052 63.115 63.100 -0.060 0.000 0.763 154 P CB 0.287 31.966 31.700 -0.036 0.000 0.806 155 E N 1.788 121.923 120.200 -0.109 0.000 2.392 155 E HA 0.114 4.470 4.350 0.010 0.000 0.307 155 E C -0.403 176.089 176.600 -0.181 0.000 1.505 155 E CA -0.317 56.005 56.400 -0.129 0.000 1.716 155 E CB -0.394 29.224 29.700 -0.137 0.000 1.450 155 E HN 0.445 nan 8.360 nan 0.000 0.484 156 c N 1.750 120.229 118.600 -0.202 0.000 2.466 156 c HA 0.340 4.916 4.570 0.010 0.000 0.379 156 c C -1.488 172.393 174.090 -0.348 0.000 1.251 156 c CA -1.567 54.533 56.329 -0.382 0.000 2.263 156 c CB -0.141 42.155 42.510 -0.357 0.000 2.511 156 c HN 0.436 nan 8.230 nan 0.000 0.573 157 P HA 0.351 nan 4.420 nan 0.000 0.274 157 P C -0.724 176.566 177.300 -0.016 0.000 1.246 157 P CA -0.221 62.759 63.100 -0.200 0.000 0.795 157 P CB 0.337 31.948 31.700 -0.148 0.000 1.006 158 A N 0.784 123.634 122.820 0.050 0.000 2.524 158 A HA 0.454 4.780 4.320 0.010 0.000 0.250 158 A C 1.294 178.979 177.584 0.169 0.000 1.078 158 A CA 0.784 52.876 52.037 0.093 0.000 0.761 158 A CB -1.398 17.637 19.000 0.058 0.000 1.012 158 A HN 0.876 nan 8.150 nan 0.000 0.500 159 G N 1.342 110.249 108.800 0.179 0.000 2.255 159 G HA2 -0.158 3.808 3.960 0.010 0.000 0.196 159 G HA3 -0.158 3.808 3.960 0.010 0.000 0.196 159 G C -0.068 174.940 174.900 0.180 0.000 0.998 159 G CA -0.258 44.939 45.100 0.161 0.000 0.656 159 G HN 0.580 nan 8.290 nan 0.000 0.490 160 F N 1.634 121.598 119.950 0.024 0.000 2.472 160 F HA 0.481 5.013 4.527 0.009 0.000 0.364 160 F C 1.724 177.535 175.800 0.019 0.000 1.090 160 F CA 0.063 58.079 58.000 0.027 0.000 1.188 160 F CB 1.688 40.706 39.000 0.031 0.000 1.105 160 F HN -0.078 nan 8.300 nan 0.000 0.536 161 V N 3.753 123.719 119.914 0.086 0.000 2.346 161 V HA -0.040 4.086 4.120 0.010 0.000 0.244 161 V C 0.819 176.956 176.094 0.072 0.000 1.037 161 V CA 1.176 63.509 62.300 0.055 0.000 1.029 161 V CB -0.511 31.314 31.823 0.004 0.000 0.663 161 V HN 0.678 nan 8.190 nan 0.000 0.454 162 R N 1.036 121.587 120.500 0.085 0.000 2.725 162 R HA 0.496 4.841 4.340 0.010 0.000 0.277 162 R C -3.259 173.135 176.300 0.157 0.000 0.987 162 R CA -1.938 54.215 56.100 0.088 0.000 0.901 162 R CB 1.260 31.585 30.300 0.041 0.000 1.207 162 R HN 0.018 nan 8.270 nan 0.000 0.463 163 P HA 0.194 nan 4.420 nan 0.000 0.276 163 P C -2.353 175.051 177.300 0.173 0.000 1.253 163 P CA -1.219 61.984 63.100 0.172 0.000 0.766 163 P CB 0.499 32.255 31.700 0.093 0.000 0.845 164 P HA 0.117 nan 4.420 nan 0.000 0.269 164 P C -0.693 176.743 177.300 0.227 0.000 1.215 164 P CA -0.156 63.091 63.100 0.244 0.000 0.780 164 P CB 0.678 32.609 31.700 0.385 0.000 0.898 165 L N 2.943 124.298 121.223 0.221 0.000 2.341 165 L HA 0.533 4.879 4.340 0.010 0.000 0.278 165 L C -0.719 176.318 176.870 0.277 0.000 1.005 165 L CA -0.562 54.412 54.840 0.224 0.000 0.818 165 L CB 0.975 43.141 42.059 0.178 0.000 1.259 165 L HN 0.224 nan 8.230 nan 0.000 0.418 166 I N 6.161 126.891 120.570 0.267 0.000 2.418 166 I HA 0.379 4.555 4.170 0.010 0.000 0.287 166 I C -0.766 175.495 176.117 0.239 0.000 1.008 166 I CA -0.398 61.060 61.300 0.264 0.000 1.104 166 I CB 1.737 39.872 38.000 0.225 0.000 1.264 166 I HN 0.484 nan 8.210 nan 0.000 0.438 167 I N 6.310 127.005 120.570 0.210 0.000 2.297 167 I HA 0.198 4.374 4.170 0.010 0.000 0.291 167 I C -0.565 175.692 176.117 0.233 0.000 1.033 167 I CA -0.233 61.194 61.300 0.212 0.000 1.253 167 I CB 0.656 38.767 38.000 0.186 0.000 1.396 167 I HN 0.419 nan 8.210 nan 0.000 0.476 168 F N 6.907 126.925 119.950 0.114 0.000 2.309 168 F HA 0.320 4.853 4.527 0.010 0.000 0.366 168 F C 0.646 176.430 175.800 -0.028 0.000 1.104 168 F CA -0.594 57.479 58.000 0.123 0.000 1.179 168 F CB 0.565 39.643 39.000 0.129 0.000 1.437 168 F HN 0.457 nan 8.300 nan 0.000 0.528 169 S N 4.662 120.364 115.700 0.005 0.000 2.475 169 S HA 0.709 5.185 4.470 0.010 0.000 0.281 169 S C -0.568 173.932 174.600 -0.167 0.000 1.198 169 S CA -0.660 57.508 58.200 -0.054 0.000 1.063 169 S CB 1.212 64.444 63.200 0.054 0.000 0.972 169 S HN 0.509 nan 8.310 nan 0.000 0.486 170 V N -0.075 119.713 119.914 -0.211 0.000 2.495 170 V HA 0.549 4.675 4.120 0.010 0.000 0.298 170 V C -0.431 175.585 176.094 -0.129 0.000 1.031 170 V CA -0.925 61.265 62.300 -0.182 0.000 0.871 170 V CB 1.544 33.309 31.823 -0.096 0.000 0.988 170 V HN 0.847 nan 8.190 nan 0.000 0.432 171 D N 3.553 123.865 120.400 -0.147 0.000 2.312 171 D HA 0.427 5.073 4.640 0.010 0.000 0.252 171 D C 1.221 177.477 176.300 -0.073 0.000 1.150 171 D CA 1.627 55.555 54.000 -0.120 0.000 0.870 171 D CB 1.361 42.141 40.800 -0.032 0.000 1.153 171 D HN 1.414 nan 8.370 nan 0.000 0.457 172 G N 3.717 112.350 108.800 -0.278 0.000 2.273 172 G HA2 -0.306 3.660 3.960 0.010 0.000 0.280 172 G HA3 -0.306 3.660 3.960 0.010 0.000 0.280 172 G C 0.170 175.124 174.900 0.090 0.000 1.047 172 G CA -0.145 44.885 45.100 -0.117 0.000 0.869 172 G HN 0.469 nan 8.290 nan 0.000 0.502 173 F N 1.763 121.699 119.950 -0.024 0.000 2.423 173 F HA 0.492 5.025 4.527 0.010 0.000 0.356 173 F C 1.136 176.922 175.800 -0.023 0.000 1.170 173 F CA -1.185 56.889 58.000 0.123 0.000 1.163 173 F CB 0.368 39.426 39.000 0.096 0.000 1.318 173 F HN 0.258 nan 8.300 nan 0.000 0.569 174 R N 3.914 124.214 120.500 -0.332 0.000 2.570 174 R HA 0.238 4.584 4.340 0.010 0.000 0.277 174 R C 1.265 177.399 176.300 -0.276 0.000 1.039 174 R CA 0.526 56.310 56.100 -0.525 0.000 1.065 174 R CB 0.994 30.624 30.300 -1.117 0.000 0.964 174 R HN 0.833 nan 8.270 nan 0.000 0.428 175 A N 2.727 125.514 122.820 -0.055 0.000 1.978 175 A HA -0.188 4.138 4.320 0.010 0.000 0.220 175 A C 1.885 179.511 177.584 0.070 0.000 1.170 175 A CA 1.972 54.068 52.037 0.099 0.000 0.636 175 A CB -0.492 18.577 19.000 0.116 0.000 0.810 175 A HN 0.873 nan 8.150 nan 0.000 0.448 176 S N -1.890 113.760 115.700 -0.082 0.000 2.561 176 S HA -0.032 4.444 4.470 0.010 0.000 0.225 176 S C 1.504 176.131 174.600 0.045 0.000 0.977 176 S CA 0.542 58.727 58.200 -0.026 0.000 0.926 176 S CB -0.631 62.539 63.200 -0.050 0.000 0.769 176 S HN 0.509 nan 8.310 nan 0.000 0.533 177 Y N 1.601 121.888 120.300 -0.022 0.000 2.373 177 Y HA 0.213 4.768 4.550 0.008 0.000 0.293 177 Y C 2.427 178.354 175.900 0.044 0.000 1.129 177 Y CA -0.127 57.909 58.100 -0.105 0.000 1.226 177 Y CB -0.664 37.503 38.460 -0.487 0.000 1.000 177 Y HN 0.261 nan 8.280 nan 0.000 0.549 178 M N -0.419 119.371 119.600 0.316 0.000 2.279 178 M HA -0.180 4.306 4.480 0.010 0.000 0.264 178 M C 1.857 178.238 176.300 0.135 0.000 1.062 178 M CA 1.254 56.702 55.300 0.247 0.000 1.099 178 M CB -0.692 32.046 32.600 0.230 0.000 1.394 178 M HN 0.020 nan 8.290 nan 0.000 0.426 179 K N 0.823 121.298 120.400 0.125 0.000 2.360 179 K HA -0.009 4.316 4.320 0.010 0.000 0.201 179 K C 0.347 176.989 176.600 0.070 0.000 1.046 179 K CA 0.624 56.965 56.287 0.089 0.000 0.945 179 K CB 0.021 32.576 32.500 0.092 0.000 0.750 179 K HN 0.265 nan 8.250 nan 0.000 0.464 180 K N 0.215 120.661 120.400 0.076 0.000 2.319 180 K HA 0.122 4.448 4.320 0.010 0.000 0.265 180 K C 0.559 177.172 176.600 0.023 0.000 1.000 180 K CA -0.008 56.307 56.287 0.046 0.000 0.943 180 K CB 0.556 33.076 32.500 0.035 0.000 0.950 180 K HN 0.170 nan 8.250 nan 0.000 0.485 181 G N 0.526 109.330 108.800 0.006 0.000 2.670 181 G HA2 -0.134 3.832 3.960 0.010 0.000 0.233 181 G HA3 -0.134 3.832 3.960 0.010 0.000 0.233 181 G C 1.052 175.939 174.900 -0.022 0.000 1.251 181 G CA 0.087 45.181 45.100 -0.009 0.000 0.849 181 G HN 0.680 nan 8.290 nan 0.000 0.588 182 S N 0.285 115.965 115.700 -0.034 0.000 2.423 182 S HA -0.055 4.420 4.470 0.010 0.000 0.231 182 S C 1.960 176.527 174.600 -0.056 0.000 1.014 182 S CA 1.085 59.254 58.200 -0.051 0.000 0.965 182 S CB -0.036 63.128 63.200 -0.059 0.000 0.785 182 S HN 0.466 nan 8.310 nan 0.000 0.495 183 K N 1.027 121.399 120.400 -0.047 0.000 2.288 183 K HA 0.149 4.474 4.320 0.010 0.000 0.201 183 K C 2.001 178.572 176.600 -0.049 0.000 1.048 183 K CA 0.720 56.978 56.287 -0.049 0.000 0.956 183 K CB -0.553 31.923 32.500 -0.041 0.000 0.746 183 K HN 0.411 nan 8.250 nan 0.000 0.461 184 V N 0.603 120.491 119.914 -0.043 0.000 2.283 184 V HA -0.069 4.057 4.120 0.010 0.000 0.243 184 V C 1.415 177.480 176.094 -0.047 0.000 1.039 184 V CA 1.265 63.540 62.300 -0.042 0.000 1.016 184 V CB -0.153 31.649 31.823 -0.036 0.000 0.650 184 V HN 0.222 nan 8.190 nan 0.000 0.449 185 M N 1.056 120.628 119.600 -0.047 0.000 2.386 185 M HA 0.278 4.764 4.480 0.010 0.000 0.245 185 M C -1.969 174.275 176.300 -0.093 0.000 0.982 185 M CA -1.377 53.885 55.300 -0.064 0.000 0.860 185 M CB 2.011 34.590 32.600 -0.035 0.000 1.371 185 M HN 0.074 nan 8.290 nan 0.000 0.425 186 P HA -0.120 nan 4.420 nan 0.000 0.217 186 P C 0.554 177.785 177.300 -0.115 0.000 1.151 186 P CA 1.504 64.540 63.100 -0.106 0.000 0.828 186 P CB 0.103 31.742 31.700 -0.102 0.000 0.788 187 N N -0.037 118.600 118.700 -0.104 0.000 2.216 187 N HA -0.022 4.724 4.740 0.010 0.000 0.183 187 N C 1.999 177.417 175.510 -0.153 0.000 1.017 187 N CA 0.956 53.978 53.050 -0.046 0.000 0.861 187 N CB -0.265 38.180 38.487 -0.070 0.000 0.986 187 N HN 0.237 nan 8.380 nan 0.000 0.428 188 I N 1.436 121.840 120.570 -0.277 0.000 2.286 188 I HA -0.218 3.958 4.170 0.010 0.000 0.245 188 I C 2.313 178.251 176.117 -0.297 0.000 1.104 188 I CA 0.986 62.030 61.300 -0.426 0.000 1.397 188 I CB -0.241 37.447 38.000 -0.518 0.000 1.072 188 I HN 0.111 nan 8.210 nan 0.000 0.417 189 E N 1.563 121.644 120.200 -0.199 0.000 2.268 189 E HA -0.233 4.122 4.350 0.010 0.000 0.195 189 E C 1.979 178.477 176.600 -0.169 0.000 0.995 189 E CA 1.151 57.451 56.400 -0.166 0.000 0.836 189 E CB -0.295 29.332 29.700 -0.122 0.000 0.763 189 E HN 0.366 nan 8.360 nan 0.000 0.491 190 K N 0.582 120.880 120.400 -0.171 0.000 2.044 190 K HA 0.008 4.334 4.320 0.010 0.000 0.204 190 K C 2.049 178.566 176.600 -0.137 0.000 1.049 190 K CA 1.025 57.201 56.287 -0.185 0.000 0.945 190 K CB -0.109 32.203 32.500 -0.314 0.000 0.724 190 K HN 0.203 nan 8.250 nan 0.000 0.440 191 L N 0.691 121.830 121.223 -0.141 0.000 2.083 191 L HA -0.154 4.192 4.340 0.010 0.000 0.209 191 L C 2.811 179.611 176.870 -0.116 0.000 1.083 191 L CA 1.162 55.889 54.840 -0.189 0.000 0.752 191 L CB -0.373 41.493 42.059 -0.323 0.000 0.899 191 L HN 0.206 nan 8.230 nan 0.000 0.433 192 R N 0.048 120.439 120.500 -0.181 0.000 2.066 192 R HA -0.146 4.200 4.340 0.010 0.000 0.232 192 R C 2.571 178.736 176.300 -0.225 0.000 1.131 192 R CA 1.830 57.799 56.100 -0.219 0.000 0.955 192 R CB -0.109 30.016 30.300 -0.292 0.000 0.851 192 R HN 0.475 nan 8.270 nan 0.000 0.432 193 S N -0.997 114.596 115.700 -0.180 0.000 2.414 193 S HA -0.076 4.399 4.470 0.010 0.000 0.227 193 S C 2.227 176.806 174.600 -0.035 0.000 1.022 193 S CA 0.755 58.885 58.200 -0.117 0.000 0.958 193 S CB -0.330 62.799 63.200 -0.118 0.000 0.797 193 S HN 0.397 nan 8.310 nan 0.000 0.493 194 c N 1.516 120.121 118.600 0.009 0.000 2.505 194 c HA 0.419 4.995 4.570 0.010 0.000 0.279 194 c C 2.095 176.270 174.090 0.142 0.000 1.316 194 c CA 0.020 56.396 56.329 0.079 0.000 1.720 194 c CB -1.359 41.277 42.510 0.210 0.000 2.050 194 c HN 0.753 nan 8.230 nan 0.000 0.493 195 G N -0.168 108.770 108.800 0.230 0.000 2.695 195 G HA2 0.450 4.416 3.960 0.010 0.000 0.213 195 G HA3 0.450 4.416 3.960 0.010 0.000 0.213 195 G C -0.719 174.274 174.900 0.154 0.000 1.406 195 G CA 0.060 45.288 45.100 0.214 0.000 1.049 195 G HN 0.283 nan 8.290 nan 0.000 0.573 196 T N 0.932 115.544 114.554 0.096 0.000 2.806 196 T HA 0.517 4.873 4.350 0.010 0.000 0.290 196 T C -0.374 174.394 174.700 0.113 0.000 0.966 196 T CA -0.125 62.036 62.100 0.102 0.000 1.060 196 T CB 0.650 69.611 68.868 0.155 0.000 0.927 196 T HN 0.703 nan 8.240 nan 0.000 0.485 197 H N -0.379 118.747 119.070 0.093 0.000 2.961 197 H HA 0.766 5.327 4.556 0.009 0.000 0.371 197 H C -1.661 173.793 175.328 0.210 0.000 1.190 197 H CA -1.308 54.814 56.048 0.123 0.000 1.138 197 H CB 1.472 31.262 29.762 0.047 0.000 1.816 197 H HN 0.694 nan 8.280 nan 0.000 0.551 198 A N 2.680 125.683 122.820 0.306 0.000 2.365 198 A HA 0.483 4.809 4.320 0.010 0.000 0.318 198 A C -1.836 175.866 177.584 0.197 0.000 1.091 198 A CA -1.755 50.401 52.037 0.198 0.000 0.763 198 A CB 1.406 20.558 19.000 0.252 0.000 1.248 198 A HN 0.615 nan 8.150 nan 0.000 0.442 199 P HA -0.111 nan 4.420 nan 0.000 0.216 199 P C -0.089 177.372 177.300 0.269 0.000 1.150 199 P CA 2.012 65.233 63.100 0.202 0.000 0.843 199 P CB -0.273 31.538 31.700 0.185 0.000 0.787 200 Y N -3.870 116.472 120.300 0.069 0.000 2.725 200 Y HA 0.740 5.296 4.550 0.011 0.000 0.333 200 Y C -0.978 174.868 175.900 -0.091 0.000 1.242 200 Y CA -1.827 56.283 58.100 0.017 0.000 1.059 200 Y CB 0.890 39.357 38.460 0.012 0.000 1.306 200 Y HN -0.270 nan 8.280 nan 0.000 0.454 201 M N 2.681 122.312 119.600 0.052 0.000 2.267 201 M HA 0.459 4.945 4.480 0.010 0.000 0.289 201 M C -1.395 174.907 176.300 0.003 0.000 1.043 201 M CA -0.773 54.399 55.300 -0.212 0.000 0.928 201 M CB 2.148 34.532 32.600 -0.359 0.000 1.613 201 M HN 0.940 nan 8.290 nan 0.000 0.450 202 R N 5.682 126.177 120.500 -0.008 0.000 2.316 202 R HA 0.436 4.781 4.340 0.010 0.000 0.314 202 R C -2.512 173.832 176.300 0.073 0.000 1.069 202 R CA -1.087 55.062 56.100 0.082 0.000 0.959 202 R CB 0.694 31.051 30.300 0.095 0.000 0.987 202 R HN 0.322 nan 8.270 nan 0.000 0.446 203 P HA 0.105 nan 4.420 nan 0.000 0.293 203 P C -0.924 176.477 177.300 0.167 0.000 1.304 203 P CA -0.504 62.676 63.100 0.133 0.000 0.767 203 P CB 0.529 32.322 31.700 0.155 0.000 1.247 204 V N -3.283 116.746 119.914 0.191 0.000 2.630 204 V HA 0.451 4.577 4.120 0.010 0.000 0.305 204 V C -0.563 175.664 176.094 0.221 0.000 1.046 204 V CA -1.108 61.330 62.300 0.230 0.000 0.934 204 V CB 0.898 32.876 31.823 0.259 0.000 1.003 204 V HN 0.432 nan 8.190 nan 0.000 0.451 205 Y N 5.901 126.250 120.300 0.082 0.000 2.335 205 Y HA 0.566 5.122 4.550 0.009 0.000 0.331 205 Y C -2.053 173.780 175.900 -0.112 0.000 1.094 205 Y CA -2.039 56.042 58.100 -0.032 0.000 1.253 205 Y CB 1.506 39.903 38.460 -0.104 0.000 1.203 205 Y HN 0.602 nan 8.280 nan 0.000 0.508 206 P HA 0.038 nan 4.420 nan 0.000 0.276 206 P C -0.424 176.756 177.300 -0.199 0.000 1.230 206 P CA -0.325 62.289 63.100 -0.811 0.000 0.776 206 P CB 0.859 32.128 31.700 -0.718 0.000 0.888 207 T N 0.771 115.288 114.554 -0.060 0.000 4.647 207 T HA 0.137 4.493 4.350 0.010 0.000 0.224 207 T C 0.391 175.129 174.700 0.064 0.000 0.928 207 T CA -0.247 61.907 62.100 0.089 0.000 0.969 207 T CB -0.816 68.155 68.868 0.171 0.000 1.425 207 T HN 0.204 nan 8.240 nan 0.000 1.045 208 K N 0.612 121.071 120.400 0.099 0.000 2.295 208 K HA 0.415 4.741 4.320 0.010 0.000 0.239 208 K C 1.250 178.029 176.600 0.298 0.000 0.991 208 K CA -0.821 55.563 56.287 0.162 0.000 0.845 208 K CB 1.412 33.982 32.500 0.117 0.000 1.197 208 K HN 0.113 nan 8.250 nan 0.000 0.441 209 T N 0.918 115.684 114.554 0.354 0.000 2.595 209 T HA -0.139 4.217 4.350 0.010 0.000 0.264 209 T C 1.780 176.591 174.700 0.186 0.000 1.058 209 T CA 1.709 63.984 62.100 0.291 0.000 1.166 209 T CB -0.365 68.659 68.868 0.259 0.000 0.863 209 T HN 0.399 nan 8.240 nan 0.000 0.415 210 F N 1.719 121.803 119.950 0.224 0.000 2.095 210 F HA -0.014 4.517 4.527 0.007 0.000 0.298 210 F C -0.502 175.440 175.800 0.236 0.000 1.104 210 F CA 1.074 59.210 58.000 0.228 0.000 1.232 210 F CB -1.458 37.665 39.000 0.205 0.000 0.987 210 F HN 0.242 nan 8.300 nan 0.000 0.475 211 P HA -0.086 nan 4.420 nan 0.000 0.222 211 P C 0.997 178.518 177.300 0.369 0.000 1.153 211 P CA 1.337 64.668 63.100 0.385 0.000 0.798 211 P CB -0.018 31.843 31.700 0.270 0.000 0.796 212 N N -0.548 118.320 118.700 0.280 0.000 2.173 212 N HA 0.004 4.750 4.740 0.010 0.000 0.184 212 N C 1.766 177.386 175.510 0.183 0.000 1.025 212 N CA 0.905 54.091 53.050 0.227 0.000 0.852 212 N CB -0.468 38.145 38.487 0.210 0.000 0.998 212 N HN 0.151 nan 8.380 nan 0.000 0.427 213 L N -0.120 121.203 121.223 0.167 0.000 2.056 213 L HA -0.172 4.174 4.340 0.010 0.000 0.207 213 L C 2.264 179.230 176.870 0.160 0.000 1.078 213 L CA 1.113 56.030 54.840 0.128 0.000 0.749 213 L CB -0.413 41.672 42.059 0.044 0.000 0.901 213 L HN 0.194 nan 8.230 nan 0.000 0.433 214 Y N 0.025 120.368 120.300 0.073 0.000 2.421 214 Y HA -0.227 4.329 4.550 0.010 0.000 0.292 214 Y C 2.547 178.315 175.900 -0.219 0.000 1.136 214 Y CA 1.503 59.582 58.100 -0.034 0.000 1.255 214 Y CB 0.053 38.514 38.460 0.001 0.000 0.991 214 Y HN 0.097 nan 8.280 nan 0.000 0.552 215 T N 0.467 115.003 114.554 -0.031 0.000 2.812 215 T HA -0.154 4.202 4.350 0.010 0.000 0.264 215 T C 1.872 176.536 174.700 -0.061 0.000 1.042 215 T CA 1.500 63.606 62.100 0.010 0.000 1.140 215 T CB -0.363 68.625 68.868 0.199 0.000 0.870 215 T HN 0.267 nan 8.240 nan 0.000 0.445 216 L N 0.762 121.989 121.223 0.006 0.000 2.083 216 L HA -0.071 4.275 4.340 0.010 0.000 0.209 216 L C 2.868 179.746 176.870 0.015 0.000 1.083 216 L CA 1.210 56.080 54.840 0.049 0.000 0.752 216 L CB -0.500 41.626 42.059 0.111 0.000 0.899 216 L HN 0.230 nan 8.230 nan 0.000 0.433 217 A N -0.653 122.098 122.820 -0.114 0.000 2.016 217 A HA -0.097 4.228 4.320 0.010 0.000 0.217 217 A C 2.309 179.598 177.584 -0.491 0.000 1.162 217 A CA 1.666 53.564 52.037 -0.232 0.000 0.662 217 A CB -0.480 18.325 19.000 -0.325 0.000 0.812 217 A HN 0.495 nan 8.150 nan 0.000 0.450 218 T N -5.664 108.494 114.554 -0.660 0.000 3.038 218 T HA 0.417 4.772 4.350 0.010 0.000 0.244 218 T C 1.471 175.581 174.700 -0.982 0.000 1.016 218 T CA 1.181 62.747 62.100 -0.890 0.000 1.098 218 T CB -0.003 68.432 68.868 -0.722 0.000 0.954 218 T HN 1.620 nan 8.240 nan 0.000 0.469 219 G N 1.440 109.942 108.800 -0.498 0.000 2.132 219 G HA2 -0.147 3.819 3.960 0.010 0.000 0.228 219 G HA3 -0.147 3.819 3.960 0.010 0.000 0.228 219 G C -0.225 174.504 174.900 -0.286 0.000 1.000 219 G CA 0.258 45.178 45.100 -0.300 0.000 0.693 219 G HN 0.654 nan 8.290 nan 0.000 0.515 220 L N -1.133 119.957 121.223 -0.222 0.000 2.303 220 L HA 0.748 5.094 4.340 0.010 0.000 0.266 220 L C 0.518 177.345 176.870 -0.071 0.000 1.011 220 L CA -1.815 52.916 54.840 -0.181 0.000 0.818 220 L CB 0.908 42.934 42.059 -0.056 0.000 1.326 220 L HN 0.038 nan 8.230 nan 0.000 0.435 221 Y N 0.554 120.861 120.300 0.013 0.000 2.326 221 Y HA 0.140 4.696 4.550 0.009 0.000 0.333 221 Y C -1.503 174.285 175.900 -0.188 0.000 1.240 221 Y CA -1.616 56.480 58.100 -0.007 0.000 1.365 221 Y CB -0.092 38.357 38.460 -0.017 0.000 1.289 221 Y HN 0.401 nan 8.280 nan 0.000 0.548 222 P HA -0.191 nan 4.420 nan 0.000 0.218 222 P C 0.950 178.044 177.300 -0.344 0.000 1.148 222 P CA 1.936 64.740 63.100 -0.494 0.000 0.822 222 P CB 0.101 31.806 31.700 0.009 0.000 0.784 223 E N -1.073 119.064 120.200 -0.105 0.000 2.268 223 E HA -0.094 4.262 4.350 0.010 0.000 0.195 223 E C 1.483 178.036 176.600 -0.078 0.000 0.995 223 E CA 1.174 57.509 56.400 -0.109 0.000 0.836 223 E CB -0.640 29.017 29.700 -0.072 0.000 0.763 223 E HN 0.117 nan 8.360 nan 0.000 0.491 224 S N 0.492 116.160 115.700 -0.052 0.000 2.452 224 S HA -0.043 4.433 4.470 0.010 0.000 0.225 224 S C 1.624 176.241 174.600 0.028 0.000 1.057 224 S CA 0.660 58.858 58.200 -0.005 0.000 0.949 224 S CB -0.165 63.058 63.200 0.038 0.000 0.836 224 S HN 0.684 nan 8.310 nan 0.000 0.518 225 H N 0.119 119.243 119.070 0.090 0.000 2.524 225 H HA 0.353 4.914 4.556 0.009 0.000 0.282 225 H C 1.437 176.841 175.328 0.126 0.000 1.016 225 H CA 1.140 57.282 56.048 0.157 0.000 1.270 225 H CB -0.555 29.370 29.762 0.272 0.000 1.394 225 H HN 0.401 nan 8.280 nan 0.000 0.568 226 G N 0.694 109.514 108.800 0.033 0.000 2.308 226 G HA2 -0.259 3.707 3.960 0.010 0.000 0.221 226 G HA3 -0.259 3.707 3.960 0.010 0.000 0.221 226 G C 0.207 175.051 174.900 -0.094 0.000 1.032 226 G CA 0.061 45.150 45.100 -0.019 0.000 0.623 226 G HN 0.311 nan 8.290 nan 0.000 0.506 227 I N 3.772 124.356 120.570 0.023 0.000 2.349 227 I HA 0.228 4.403 4.170 0.010 0.000 0.302 227 I C 1.980 178.085 176.117 -0.021 0.000 1.180 227 I CA 0.289 61.508 61.300 -0.135 0.000 1.405 227 I CB 0.008 37.914 38.000 -0.157 0.000 1.474 227 I HN 0.410 nan 8.210 nan 0.000 0.632 228 V N 2.735 122.588 119.914 -0.101 0.000 3.623 228 V HA 0.618 4.744 4.120 0.010 0.000 0.271 228 V C 0.801 176.954 176.094 0.098 0.000 1.248 228 V CA 0.477 62.793 62.300 0.027 0.000 1.156 228 V CB -0.507 31.275 31.823 -0.067 0.000 0.870 228 V HN 0.778 nan 8.190 nan 0.000 0.453 229 G N -0.289 108.507 108.800 -0.007 0.000 2.325 229 G HA2 0.177 4.143 3.960 0.010 0.000 0.297 229 G HA3 0.177 4.143 3.960 0.010 0.000 0.297 229 G C -0.488 174.399 174.900 -0.021 0.000 1.448 229 G CA -0.113 44.996 45.100 0.016 0.000 0.838 229 G HN -0.043 nan 8.290 nan 0.000 0.579 230 N N -0.356 118.389 118.700 0.074 0.000 2.223 230 N HA 0.015 4.761 4.740 0.010 0.000 0.185 230 N C 0.958 176.510 175.510 0.070 0.000 1.016 230 N CA 1.575 54.692 53.050 0.111 0.000 0.863 230 N CB 0.185 38.776 38.487 0.173 0.000 0.983 230 N HN 0.482 nan 8.380 nan 0.000 0.429 231 S N 0.116 115.841 115.700 0.042 0.000 2.605 231 S HA 0.675 5.151 4.470 0.010 0.000 0.308 231 S C -0.800 173.784 174.600 -0.028 0.000 1.113 231 S CA -0.809 57.410 58.200 0.032 0.000 1.049 231 S CB 0.164 63.426 63.200 0.104 0.000 1.001 231 S HN 0.198 nan 8.310 nan 0.000 0.480 232 M N 3.652 123.189 119.600 -0.106 0.000 2.569 232 M HA 0.601 5.087 4.480 0.010 0.000 0.279 232 M C -2.079 174.236 176.300 0.025 0.000 1.253 232 M CA -1.054 54.209 55.300 -0.061 0.000 0.867 232 M CB 1.901 34.421 32.600 -0.132 0.000 1.727 232 M HN 0.580 nan 8.290 nan 0.000 0.467 233 Y N 0.793 121.102 120.300 0.016 0.000 2.391 233 Y HA 0.535 5.092 4.550 0.011 0.000 0.341 233 Y C -1.714 174.253 175.900 0.112 0.000 0.965 233 Y CA -0.531 57.626 58.100 0.096 0.000 1.067 233 Y CB 1.580 40.065 38.460 0.040 0.000 1.199 233 Y HN 0.841 nan 8.280 nan 0.000 0.450 234 D N 8.207 128.271 120.400 -0.560 0.000 2.303 234 D HA 0.261 4.906 4.640 0.010 0.000 0.236 234 D C -2.056 173.617 176.300 -1.045 0.000 1.068 234 D CA -2.096 51.478 54.000 -0.711 0.000 0.830 234 D CB 2.626 42.952 40.800 -0.790 0.000 1.109 234 D HN 0.391 nan 8.370 nan 0.000 0.496 235 P HA -0.072 nan 4.420 nan 0.000 0.222 235 P C 1.587 178.710 177.300 -0.296 0.000 1.153 235 P CA 0.265 63.115 63.100 -0.417 0.000 0.798 235 P CB 0.714 32.317 31.700 -0.161 0.000 0.796 236 V N -0.519 119.156 119.914 -0.399 0.000 2.323 236 V HA -0.190 3.936 4.120 0.010 0.000 0.244 236 V C 2.397 178.393 176.094 -0.164 0.000 1.041 236 V CA 1.788 63.908 62.300 -0.301 0.000 1.025 236 V CB -1.437 30.164 31.823 -0.370 0.000 0.656 236 V HN -0.091 nan 8.190 nan 0.000 0.451 237 F N -0.130 119.668 119.950 -0.253 0.000 2.325 237 F HA 0.109 4.641 4.527 0.008 0.000 0.299 237 F C 1.463 177.189 175.800 -0.123 0.000 1.090 237 F CA 0.532 58.400 58.000 -0.220 0.000 1.392 237 F CB -0.903 37.886 39.000 -0.352 0.000 1.053 237 F HN 0.272 nan 8.300 nan 0.000 0.521 238 D N -0.151 120.251 120.400 0.004 0.000 2.746 238 D HA -0.118 4.528 4.640 0.010 0.000 0.236 238 D C -0.310 176.126 176.300 0.226 0.000 1.129 238 D CA 0.676 54.735 54.000 0.099 0.000 0.691 238 D CB -1.047 39.826 40.800 0.123 0.000 1.077 238 D HN 0.404 nan 8.370 nan 0.000 0.432 239 A N -0.629 122.331 122.820 0.233 0.000 2.515 239 A HA 0.787 5.113 4.320 0.010 0.000 0.296 239 A C -0.438 177.448 177.584 0.503 0.000 1.094 239 A CA -0.022 52.237 52.037 0.371 0.000 0.718 239 A CB 2.303 21.538 19.000 0.392 0.000 1.307 239 A HN 0.270 nan 8.150 nan 0.000 0.408 240 S N 0.058 115.995 115.700 0.395 0.000 2.473 240 S HA 0.635 5.111 4.470 0.010 0.000 0.307 240 S C -1.239 173.227 174.600 -0.223 0.000 1.094 240 S CA -0.372 57.928 58.200 0.167 0.000 1.070 240 S CB 0.375 63.636 63.200 0.102 0.000 1.019 240 S HN 0.788 nan 8.310 nan 0.000 0.480 241 F N 5.036 124.509 119.950 -0.796 0.000 2.411 241 F HA 0.549 5.079 4.527 0.006 0.000 0.350 241 F C -0.087 175.174 175.800 -0.899 0.000 1.114 241 F CA 0.062 57.409 58.000 -1.087 0.000 1.135 241 F CB 0.517 38.499 39.000 -1.697 0.000 1.120 241 F HN 0.741 nan 8.300 nan 0.000 0.495 242 H N 4.284 122.976 119.070 -0.629 0.000 2.894 242 H HA 0.356 4.918 4.556 0.010 0.000 0.368 242 H C 0.584 175.570 175.328 -0.570 0.000 1.181 242 H CA -0.951 54.846 56.048 -0.419 0.000 1.146 242 H CB 1.834 31.455 29.762 -0.234 0.000 1.839 242 H HN 0.574 nan 8.280 nan 0.000 0.557 243 L N 0.200 121.321 121.223 -0.169 0.000 2.093 243 L HA 0.005 4.351 4.340 0.010 0.000 0.208 243 L C 0.584 177.385 176.870 -0.115 0.000 1.085 243 L CA 1.246 55.995 54.840 -0.152 0.000 0.755 243 L CB 0.003 42.067 42.059 0.007 0.000 0.904 243 L HN 0.310 nan 8.230 nan 0.000 0.435 244 R N 0.596 121.045 120.500 -0.084 0.000 2.288 244 R HA 0.624 4.970 4.340 0.010 0.000 0.326 244 R C -0.303 175.961 176.300 -0.061 0.000 0.959 244 R CA 0.078 56.145 56.100 -0.056 0.000 0.834 244 R CB 1.208 31.481 30.300 -0.045 0.000 1.157 244 R HN 0.188 nan 8.270 nan 0.000 0.470 245 G N 1.204 109.982 108.800 -0.037 0.000 2.336 245 G HA2 -0.018 3.948 3.960 0.010 0.000 0.300 245 G HA3 -0.018 3.948 3.960 0.010 0.000 0.300 245 G C -0.180 174.756 174.900 0.059 0.000 1.375 245 G CA -0.759 44.333 45.100 -0.014 0.000 0.885 245 G HN 0.333 nan 8.290 nan 0.000 0.599 246 R N -0.462 120.077 120.500 0.064 0.000 2.317 246 R HA 0.123 4.468 4.340 0.010 0.000 0.208 246 R C 1.840 178.247 176.300 0.180 0.000 0.914 246 R CA 0.433 56.618 56.100 0.142 0.000 1.060 246 R CB 0.497 30.775 30.300 -0.036 0.000 1.015 246 R HN 0.615 nan 8.270 nan 0.000 0.498 247 E N 2.216 122.446 120.200 0.049 0.000 2.106 247 E HA -0.176 4.179 4.350 0.010 0.000 0.192 247 E C 1.682 178.247 176.600 -0.059 0.000 0.984 247 E CA 1.557 57.979 56.400 0.037 0.000 0.806 247 E CB 0.043 29.735 29.700 -0.013 0.000 0.750 247 E HN 0.337 nan 8.360 nan 0.000 0.458 248 K N -0.598 119.572 120.400 -0.385 0.000 2.281 248 K HA -0.150 4.176 4.320 0.010 0.000 0.203 248 K C 1.576 178.117 176.600 -0.099 0.000 1.046 248 K CA 1.376 57.306 56.287 -0.596 0.000 0.938 248 K CB -0.516 31.343 32.500 -1.068 0.000 0.737 248 K HN 0.133 nan 8.250 nan 0.000 0.458 249 F N 1.531 121.457 119.950 -0.039 0.000 2.604 249 F HA 0.051 4.583 4.527 0.009 0.000 0.298 249 F C 0.611 176.394 175.800 -0.030 0.000 1.131 249 F CA -0.197 57.772 58.000 -0.053 0.000 1.457 249 F CB -0.377 38.550 39.000 -0.122 0.000 1.095 249 F HN 0.003 nan 8.300 nan 0.000 0.574 250 N N -0.398 118.457 118.700 0.258 0.000 2.518 250 N HA 0.007 4.753 4.740 0.010 0.000 0.266 250 N C 0.527 176.192 175.510 0.258 0.000 1.196 250 N CA 0.232 53.413 53.050 0.219 0.000 0.947 250 N CB 0.367 39.031 38.487 0.295 0.000 1.098 250 N HN 0.129 nan 8.380 nan 0.000 0.450 251 H N 0.181 119.435 119.070 0.308 0.000 2.551 251 H HA 0.051 4.613 4.556 0.011 0.000 0.266 251 H C 1.414 176.902 175.328 0.266 0.000 0.977 251 H CA 0.411 56.654 56.048 0.325 0.000 1.163 251 H CB 0.329 30.194 29.762 0.171 0.000 1.381 251 H HN 0.535 nan 8.280 nan 0.000 0.581 252 R N -0.059 120.536 120.500 0.158 0.000 2.148 252 R HA -0.121 4.225 4.340 0.010 0.000 0.227 252 R C 0.902 177.155 176.300 -0.078 0.000 1.103 252 R CA 1.329 57.354 56.100 -0.126 0.000 0.983 252 R CB -0.575 29.345 30.300 -0.634 0.000 0.874 252 R HN 0.326 nan 8.270 nan 0.000 0.451 253 W N 0.707 122.024 121.300 0.027 0.000 2.453 253 W HA 0.106 4.774 4.660 0.014 0.000 0.289 253 W C 0.102 176.449 176.519 -0.286 0.000 1.215 253 W CA -0.339 56.907 57.345 -0.164 0.000 1.297 253 W CB -0.296 28.912 29.460 -0.421 0.000 1.113 253 W HN -0.015 nan 8.180 nan 0.000 0.551 254 W N 1.535 122.952 121.300 0.196 0.000 2.345 254 W HA 0.516 5.183 4.660 0.011 0.000 0.308 254 W C 0.619 177.231 176.519 0.155 0.000 1.273 254 W CA -0.474 56.913 57.345 0.071 0.000 1.243 254 W CB 0.037 29.526 29.460 0.049 0.000 1.260 254 W HN -0.225 nan 8.180 nan 0.000 0.509 255 G N 0.877 109.898 108.800 0.368 0.000 2.932 255 G HA2 0.691 4.657 3.960 0.010 0.000 0.283 255 G HA3 0.691 4.657 3.960 0.010 0.000 0.283 255 G C 0.337 175.413 174.900 0.295 0.000 1.336 255 G CA -0.157 45.114 45.100 0.285 0.000 1.056 255 G HN 1.015 nan 8.290 nan 0.000 0.522 256 G N -1.027 107.860 108.800 0.145 0.000 2.569 256 G HA2 -0.111 3.855 3.960 0.010 0.000 0.259 256 G HA3 -0.111 3.855 3.960 0.010 0.000 0.259 256 G C 0.045 174.924 174.900 -0.036 0.000 1.263 256 G CA 0.582 45.701 45.100 0.032 0.000 0.928 256 G HN 1.003 nan 8.290 nan 0.000 0.572 257 Q N 0.635 120.332 119.800 -0.171 0.000 2.397 257 Q HA 0.535 4.881 4.340 0.010 0.000 0.260 257 Q C -2.571 173.168 176.000 -0.434 0.000 1.002 257 Q CA -1.787 53.877 55.803 -0.233 0.000 0.716 257 Q CB 2.140 30.783 28.738 -0.158 0.000 1.258 257 Q HN 0.456 nan 8.270 nan 0.000 0.477 258 P HA 0.023 nan 4.420 nan 0.000 0.274 258 P C 0.490 177.324 177.300 -0.777 0.000 1.256 258 P CA -0.496 62.016 63.100 -0.980 0.000 0.795 258 P CB 0.840 31.511 31.700 -1.716 0.000 1.038 259 L N 0.870 121.730 121.223 -0.605 0.000 2.042 259 L HA -0.132 4.214 4.340 0.010 0.000 0.210 259 L C 2.005 178.728 176.870 -0.245 0.000 1.076 259 L CA 1.872 56.585 54.840 -0.212 0.000 0.749 259 L CB -1.293 40.751 42.059 -0.025 0.000 0.893 259 L HN 0.602 nan 8.230 nan 0.000 0.432 260 W N -1.089 120.017 121.300 -0.323 0.000 2.392 260 W HA -0.080 4.585 4.660 0.008 0.000 0.279 260 W C 1.855 178.298 176.519 -0.126 0.000 1.225 260 W CA 0.499 57.693 57.345 -0.251 0.000 1.233 260 W CB -0.881 28.343 29.460 -0.392 0.000 1.122 260 W HN -0.004 nan 8.180 nan 0.000 0.561 261 I N 1.332 121.722 120.570 -0.298 0.000 2.333 261 I HA -0.175 4.001 4.170 0.010 0.000 0.246 261 I C 2.205 178.264 176.117 -0.097 0.000 1.106 261 I CA 1.723 62.936 61.300 -0.144 0.000 1.411 261 I CB -1.839 36.034 38.000 -0.212 0.000 1.082 261 I HN 0.060 nan 8.210 nan 0.000 0.420 262 T N 1.691 116.171 114.554 -0.123 0.000 2.759 262 T HA -0.142 4.213 4.350 0.010 0.000 0.269 262 T C 2.080 176.748 174.700 -0.054 0.000 1.042 262 T CA 1.623 63.681 62.100 -0.071 0.000 1.140 262 T CB -0.317 68.523 68.868 -0.047 0.000 0.864 262 T HN 0.433 nan 8.240 nan 0.000 0.455 263 A N 1.556 124.352 122.820 -0.040 0.000 1.872 263 A HA -0.061 4.264 4.320 0.010 0.000 0.214 263 A C 2.606 180.179 177.584 -0.018 0.000 1.187 263 A CA 1.842 53.866 52.037 -0.023 0.000 0.614 263 A CB -1.265 17.738 19.000 0.005 0.000 0.826 263 A HN 0.459 nan 8.150 nan 0.000 0.442 264 T N 0.376 114.928 114.554 -0.004 0.000 2.720 264 T HA -0.150 4.206 4.350 0.010 0.000 0.268 264 T C 1.811 176.501 174.700 -0.015 0.000 1.037 264 T CA 1.771 63.868 62.100 -0.004 0.000 1.144 264 T CB -0.228 68.652 68.868 0.020 0.000 0.864 264 T HN 0.498 nan 8.240 nan 0.000 0.444 265 K N 0.712 121.100 120.400 -0.021 0.000 2.365 265 K HA 0.036 4.362 4.320 0.010 0.000 0.199 265 K C 1.849 178.435 176.600 -0.024 0.000 1.045 265 K CA 0.765 57.038 56.287 -0.024 0.000 0.962 265 K CB 0.047 32.530 32.500 -0.029 0.000 0.759 265 K HN 0.422 nan 8.250 nan 0.000 0.469 266 Q N -0.464 119.320 119.800 -0.026 0.000 2.188 266 Q HA 0.121 4.467 4.340 0.010 0.000 0.212 266 Q C 0.065 176.051 176.000 -0.024 0.000 0.846 266 Q CA -0.008 55.779 55.803 -0.025 0.000 0.989 266 Q CB 1.332 30.052 28.738 -0.030 0.000 1.114 266 Q HN 0.401 nan 8.270 nan 0.000 0.488 267 G N 0.797 109.582 108.800 -0.024 0.000 2.225 267 G HA2 -0.222 3.744 3.960 0.010 0.000 0.264 267 G HA3 -0.222 3.744 3.960 0.010 0.000 0.264 267 G C -0.258 174.623 174.900 -0.032 0.000 1.060 267 G CA -0.004 45.080 45.100 -0.026 0.000 0.833 267 G HN 0.218 nan 8.290 nan 0.000 0.498 268 V N 0.474 120.367 119.914 -0.034 0.000 2.407 268 V HA 0.440 4.566 4.120 0.010 0.000 0.291 268 V C 0.845 176.910 176.094 -0.049 0.000 1.018 268 V CA -1.008 61.267 62.300 -0.042 0.000 0.842 268 V CB 1.627 33.428 31.823 -0.036 0.000 0.996 268 V HN 0.483 nan 8.190 nan 0.000 0.426 269 R N 3.327 123.783 120.500 -0.075 0.000 2.401 269 R HA 0.555 4.901 4.340 0.010 0.000 0.299 269 R C -0.062 176.163 176.300 -0.124 0.000 1.064 269 R CA 0.085 56.126 56.100 -0.098 0.000 1.000 269 R CB 0.664 30.891 30.300 -0.122 0.000 0.973 269 R HN 0.846 nan 8.270 nan 0.000 0.438 270 A N 3.505 126.273 122.820 -0.087 0.000 2.318 270 A HA 0.545 4.871 4.320 0.010 0.000 0.317 270 A C 0.056 177.575 177.584 -0.108 0.000 1.159 270 A CA -0.515 51.496 52.037 -0.043 0.000 0.799 270 A CB 1.607 20.684 19.000 0.129 0.000 1.194 270 A HN 0.861 nan 8.150 nan 0.000 0.479 271 G N 0.908 109.576 108.800 -0.220 0.000 2.599 271 G HA2 0.462 4.427 3.960 0.010 0.000 0.264 271 G HA3 0.462 4.427 3.960 0.010 0.000 0.264 271 G C 0.426 175.250 174.900 -0.126 0.000 1.200 271 G CA 0.299 45.199 45.100 -0.334 0.000 0.896 271 G HN 1.163 nan 8.290 nan 0.000 0.536 272 T N -1.449 112.974 114.554 -0.219 0.000 2.888 272 T HA 0.177 4.533 4.350 0.010 0.000 0.301 272 T C 0.582 175.133 174.700 -0.249 0.000 1.001 272 T CA -0.225 61.758 62.100 -0.194 0.000 1.147 272 T CB 0.794 69.524 68.868 -0.230 0.000 0.931 272 T HN 0.234 nan 8.240 nan 0.000 0.541 273 F N 0.644 120.309 119.950 -0.475 0.000 2.374 273 F HA 0.362 4.894 4.527 0.009 0.000 0.291 273 F C 0.871 176.329 175.800 -0.571 0.000 1.084 273 F CA -0.713 56.990 58.000 -0.495 0.000 1.413 273 F CB -0.088 38.483 39.000 -0.716 0.000 1.099 273 F HN 0.531 nan 8.300 nan 0.000 0.534 274 F N -0.846 118.897 119.950 -0.345 0.000 2.412 274 F HA 0.257 4.789 4.527 0.008 0.000 0.348 274 F C -0.472 175.129 175.800 -0.331 0.000 1.102 274 F CA -0.668 57.170 58.000 -0.270 0.000 1.196 274 F CB 0.239 39.100 39.000 -0.231 0.000 1.144 274 F HN -0.202 nan 8.300 nan 0.000 0.541 275 W N 1.141 122.504 121.300 0.105 0.000 2.736 275 W HA 0.524 5.189 4.660 0.008 0.000 0.335 275 W C -0.450 176.125 176.519 0.093 0.000 1.059 275 W CA -0.797 56.604 57.345 0.093 0.000 1.226 275 W CB 1.691 31.157 29.460 0.010 0.000 1.416 275 W HN 0.238 nan 8.180 nan 0.000 0.505 276 S N 1.085 117.010 115.700 0.375 0.000 2.565 276 S HA 0.049 4.525 4.470 0.010 0.000 0.276 276 S C 1.083 175.798 174.600 0.191 0.000 1.326 276 S CA -0.714 57.635 58.200 0.247 0.000 1.045 276 S CB 1.170 64.512 63.200 0.237 0.000 0.918 276 S HN 0.422 nan 8.310 nan 0.000 0.505 277 V N 3.027 123.017 119.914 0.125 0.000 2.380 277 V HA -0.206 3.919 4.120 0.010 0.000 0.251 277 V C 2.497 178.607 176.094 0.026 0.000 1.063 277 V CA 2.152 64.490 62.300 0.063 0.000 1.055 277 V CB -1.465 30.389 31.823 0.051 0.000 0.657 277 V HN 1.009 nan 8.190 nan 0.000 0.455 278 S N 0.166 115.906 115.700 0.065 0.000 2.447 278 S HA 0.012 4.488 4.470 0.010 0.000 0.233 278 S C 0.934 175.571 174.600 0.062 0.000 1.006 278 S CA 0.398 58.634 58.200 0.061 0.000 0.957 278 S CB -0.655 62.601 63.200 0.094 0.000 0.773 278 S HN 0.427 nan 8.310 nan 0.000 0.507 279 I N 3.943 124.569 120.570 0.092 0.000 2.505 279 I HA 0.334 4.510 4.170 0.010 0.000 0.287 279 I C -2.442 173.608 176.117 -0.112 0.000 1.104 279 I CA -2.779 58.566 61.300 0.075 0.000 1.387 279 I CB -0.750 37.382 38.000 0.219 0.000 1.404 279 I HN 0.071 nan 8.210 nan 0.000 0.528 280 P HA 0.185 nan 4.420 nan 0.000 0.272 280 P C 0.654 177.722 177.300 -0.386 0.000 1.240 280 P CA -0.132 62.796 63.100 -0.286 0.000 0.791 280 P CB 0.540 32.128 31.700 -0.188 0.000 0.978 281 H N -0.380 118.533 119.070 -0.263 0.000 2.353 281 H HA -0.156 4.406 4.556 0.009 0.000 0.300 281 H C 1.544 176.686 175.328 -0.310 0.000 1.090 281 H CA 1.584 57.520 56.048 -0.188 0.000 1.327 281 H CB 0.012 29.740 29.762 -0.057 0.000 1.383 281 H HN 0.512 nan 8.280 nan 0.000 0.508 282 E N 0.286 120.207 120.200 -0.465 0.000 2.072 282 E HA -0.136 4.220 4.350 0.010 0.000 0.191 282 E C 2.219 178.401 176.600 -0.698 0.000 0.985 282 E CA 0.729 56.674 56.400 -0.759 0.000 0.801 282 E CB 0.045 28.796 29.700 -1.582 0.000 0.750 282 E HN 0.186 nan 8.360 nan 0.000 0.452 283 R N 0.563 120.634 120.500 -0.715 0.000 2.115 283 R HA 0.020 4.366 4.340 0.010 0.000 0.230 283 R C 2.000 178.020 176.300 -0.467 0.000 1.111 283 R CA 1.213 57.047 56.100 -0.445 0.000 0.976 283 R CB 0.048 30.203 30.300 -0.241 0.000 0.870 283 R HN 0.034 nan 8.270 nan 0.000 0.445 284 R N -0.348 119.830 120.500 -0.536 0.000 2.066 284 R HA -0.036 4.310 4.340 0.010 0.000 0.232 284 R C 2.013 178.043 176.300 -0.450 0.000 1.131 284 R CA 1.370 57.017 56.100 -0.755 0.000 0.955 284 R CB -0.304 29.472 30.300 -0.874 0.000 0.851 284 R HN 0.177 nan 8.270 nan 0.000 0.432 285 I N 0.995 121.359 120.570 -0.345 0.000 2.252 285 I HA -0.228 3.947 4.170 0.010 0.000 0.245 285 I C 2.276 178.229 176.117 -0.272 0.000 1.102 285 I CA 1.414 62.524 61.300 -0.316 0.000 1.385 285 I CB -0.834 36.959 38.000 -0.344 0.000 1.064 285 I HN 0.201 nan 8.210 nan 0.000 0.414 286 L N 0.216 121.270 121.223 -0.283 0.000 2.056 286 L HA -0.190 4.155 4.340 0.010 0.000 0.207 286 L C 2.574 179.270 176.870 -0.292 0.000 1.078 286 L CA 1.452 56.157 54.840 -0.225 0.000 0.749 286 L CB -0.846 41.118 42.059 -0.158 0.000 0.901 286 L HN 0.218 nan 8.230 nan 0.000 0.433 287 T N 0.049 114.334 114.554 -0.450 0.000 2.746 287 T HA -0.149 4.207 4.350 0.010 0.000 0.267 287 T C 1.888 176.179 174.700 -0.683 0.000 1.039 287 T CA 1.396 63.057 62.100 -0.731 0.000 1.142 287 T CB -0.242 68.004 68.868 -1.036 0.000 0.866 287 T HN 0.184 nan 8.240 nan 0.000 0.444 288 I N 0.761 121.129 120.570 -0.338 0.000 2.179 288 I HA -0.122 4.054 4.170 0.010 0.000 0.242 288 I C 2.176 178.176 176.117 -0.194 0.000 1.088 288 I CA 1.237 62.450 61.300 -0.144 0.000 1.357 288 I CB -0.417 37.520 38.000 -0.105 0.000 1.051 288 I HN 0.168 nan 8.210 nan 0.000 0.409 289 L N -0.197 120.918 121.223 -0.180 0.000 2.201 289 L HA -0.194 4.152 4.340 0.010 0.000 0.212 289 L C 2.492 179.330 176.870 -0.054 0.000 1.105 289 L CA 1.164 55.938 54.840 -0.111 0.000 0.775 289 L CB -0.484 41.515 42.059 -0.101 0.000 0.913 289 L HN 0.298 nan 8.230 nan 0.000 0.440 290 Q N -1.288 118.455 119.800 -0.095 0.000 2.137 290 Q HA -0.139 4.207 4.340 0.010 0.000 0.198 290 Q C 2.050 178.109 176.000 0.100 0.000 0.960 290 Q CA 1.027 56.805 55.803 -0.043 0.000 0.847 290 Q CB -0.019 28.639 28.738 -0.133 0.000 0.915 290 Q HN 0.498 nan 8.270 nan 0.000 0.448 291 W N 0.395 121.719 121.300 0.040 0.000 2.467 291 W HA -0.019 4.646 4.660 0.009 0.000 0.275 291 W C 1.534 178.124 176.519 0.118 0.000 1.239 291 W CA 0.638 58.050 57.345 0.111 0.000 1.266 291 W CB -0.323 29.266 29.460 0.214 0.000 1.112 291 W HN 0.190 nan 8.180 nan 0.000 0.576 292 L N 0.644 122.016 121.223 0.247 0.000 2.395 292 L HA -0.126 4.220 4.340 0.010 0.000 0.218 292 L C 2.310 179.303 176.870 0.205 0.000 1.130 292 L CA 1.434 56.400 54.840 0.209 0.000 0.826 292 L CB -0.592 41.531 42.059 0.107 0.000 0.941 292 L HN -0.109 nan 8.230 nan 0.000 0.451 293 S N -1.309 114.491 115.700 0.167 0.000 2.575 293 S HA 0.169 4.645 4.470 0.010 0.000 0.215 293 S C 0.728 175.410 174.600 0.136 0.000 0.966 293 S CA -0.357 57.927 58.200 0.140 0.000 0.911 293 S CB -0.261 62.996 63.200 0.097 0.000 0.780 293 S HN 0.164 nan 8.310 nan 0.000 0.514 294 L N 2.825 124.143 121.223 0.159 0.000 2.473 294 L HA 0.318 4.664 4.340 0.010 0.000 0.268 294 L C -1.798 175.124 176.870 0.087 0.000 1.215 294 L CA -2.059 52.862 54.840 0.135 0.000 0.823 294 L CB 0.152 42.315 42.059 0.172 0.000 1.099 294 L HN 0.106 nan 8.230 nan 0.000 0.483 295 P HA 0.024 nan 4.420 nan 0.000 0.271 295 P C -0.439 176.858 177.300 -0.006 0.000 1.233 295 P CA -0.261 62.861 63.100 0.036 0.000 0.789 295 P CB 0.540 32.261 31.700 0.034 0.000 0.951 296 D N 0.026 120.409 120.400 -0.029 0.000 2.158 296 D HA -0.200 4.446 4.640 0.010 0.000 0.197 296 D C 1.545 177.803 176.300 -0.070 0.000 0.995 296 D CA 1.464 55.414 54.000 -0.083 0.000 0.846 296 D CB -0.416 40.349 40.800 -0.058 0.000 0.941 296 D HN 0.527 nan 8.370 nan 0.000 0.456 297 N N 0.165 118.843 118.700 -0.035 0.000 2.461 297 N HA -0.085 4.661 4.740 0.010 0.000 0.188 297 N C 0.814 176.307 175.510 -0.028 0.000 1.134 297 N CA 0.619 53.651 53.050 -0.030 0.000 0.878 297 N CB 0.317 38.796 38.487 -0.014 0.000 0.972 297 N HN 0.233 nan 8.380 nan 0.000 0.456 298 E N 0.548 120.734 120.200 -0.023 0.000 2.367 298 E HA 0.034 4.390 4.350 0.010 0.000 0.204 298 E C 0.472 177.053 176.600 -0.032 0.000 0.840 298 E CA -0.233 56.158 56.400 -0.014 0.000 1.051 298 E CB 0.677 30.391 29.700 0.024 0.000 1.051 298 E HN 0.316 nan 8.360 nan 0.000 0.509 299 R N 3.142 123.628 120.500 -0.023 0.000 2.489 299 R HA 0.100 4.446 4.340 0.010 0.000 0.287 299 R C -2.352 173.902 176.300 -0.078 0.000 1.053 299 R CA -1.078 55.018 56.100 -0.007 0.000 1.036 299 R CB 0.276 30.588 30.300 0.020 0.000 0.966 299 R HN -0.190 nan 8.270 nan 0.000 0.432 300 P HA 0.185 nan 4.420 nan 0.000 0.277 300 P C -0.581 176.559 177.300 -0.267 0.000 1.271 300 P CA -0.505 62.439 63.100 -0.261 0.000 0.795 300 P CB 0.958 32.380 31.700 -0.464 0.000 1.101 301 S N -1.710 113.819 115.700 -0.285 0.000 2.559 301 S HA 0.246 4.722 4.470 0.010 0.000 0.226 301 S C 0.167 174.655 174.600 -0.187 0.000 1.000 301 S CA -0.170 57.932 58.200 -0.163 0.000 0.948 301 S CB 0.240 63.392 63.200 -0.080 0.000 0.870 301 S HN 0.349 nan 8.310 nan 0.000 0.497 302 V N 1.855 121.526 119.914 -0.406 0.000 2.668 302 V HA 0.643 4.769 4.120 0.010 0.000 0.304 302 V C -2.258 173.559 176.094 -0.462 0.000 1.071 302 V CA -0.682 61.477 62.300 -0.236 0.000 0.894 302 V CB 1.503 33.346 31.823 0.033 0.000 1.008 302 V HN 0.339 nan 8.190 nan 0.000 0.425 303 Y N 4.023 124.339 120.300 0.027 0.000 2.576 303 Y HA 0.923 5.478 4.550 0.009 0.000 0.346 303 Y C 0.229 176.025 175.900 -0.174 0.000 1.018 303 Y CA -0.432 57.651 58.100 -0.028 0.000 1.050 303 Y CB 2.442 40.988 38.460 0.143 0.000 1.280 303 Y HN 0.867 nan 8.280 nan 0.000 0.474 304 A N 1.678 124.460 122.820 -0.064 0.000 2.455 304 A HA 0.743 5.069 4.320 0.010 0.000 0.300 304 A C -2.272 175.467 177.584 0.257 0.000 1.040 304 A CA -0.560 51.402 52.037 -0.125 0.000 0.697 304 A CB 1.124 19.671 19.000 -0.754 0.000 1.265 304 A HN 0.635 nan 8.150 nan 0.000 0.407 305 F N 1.802 121.759 119.950 0.012 0.000 2.520 305 F HA 0.722 5.256 4.527 0.011 0.000 0.322 305 F C -1.267 174.432 175.800 -0.168 0.000 1.103 305 F CA -0.736 57.187 58.000 -0.128 0.000 0.926 305 F CB 1.650 40.394 39.000 -0.426 0.000 1.154 305 F HN 0.664 nan 8.300 nan 0.000 0.453 306 Y N 3.804 123.500 120.300 -1.008 0.000 2.446 306 Y HA 0.633 5.187 4.550 0.008 0.000 0.345 306 Y C -1.259 174.108 175.900 -0.889 0.000 0.984 306 Y CA -0.727 56.959 58.100 -0.690 0.000 1.058 306 Y CB 1.910 40.186 38.460 -0.307 0.000 1.220 306 Y HN 0.572 nan 8.280 nan 0.000 0.455 307 S N 3.594 118.532 115.700 -1.271 0.000 2.594 307 S HA 0.336 4.812 4.470 0.010 0.000 0.296 307 S C -0.187 173.868 174.600 -0.908 0.000 1.124 307 S CA -0.631 57.066 58.200 -0.838 0.000 1.011 307 S CB 1.192 64.135 63.200 -0.428 0.000 1.016 307 S HN 0.820 nan 8.310 nan 0.000 0.485 308 E N 1.807 121.723 120.200 -0.475 0.000 2.285 308 E HA 0.097 4.453 4.350 0.010 0.000 0.194 308 E C 0.442 177.036 176.600 -0.009 0.000 0.997 308 E CA 0.781 57.073 56.400 -0.180 0.000 0.845 308 E CB 0.176 29.881 29.700 0.009 0.000 0.782 308 E HN 0.509 nan 8.360 nan 0.000 0.491 309 Q N 0.334 120.127 119.800 -0.012 0.000 2.214 309 Q HA 0.182 4.528 4.340 0.010 0.000 0.251 309 Q C -1.965 174.081 176.000 0.077 0.000 0.936 309 Q CA -1.924 53.927 55.803 0.081 0.000 0.894 309 Q CB 0.997 29.786 28.738 0.084 0.000 1.252 309 Q HN 0.015 nan 8.270 nan 0.000 0.448 310 P HA 0.035 nan 4.420 nan 0.000 0.249 310 P C 0.089 177.472 177.300 0.138 0.000 1.544 310 P CA 0.314 63.470 63.100 0.093 0.000 0.932 310 P CB 0.287 31.962 31.700 -0.041 0.000 1.524 311 D N -0.495 120.015 120.400 0.182 0.000 2.117 311 D HA -0.179 4.467 4.640 0.010 0.000 0.198 311 D C 1.490 178.007 176.300 0.362 0.000 0.982 311 D CA 0.891 55.039 54.000 0.246 0.000 0.828 311 D CB -0.508 40.464 40.800 0.285 0.000 0.967 311 D HN 0.005 nan 8.370 nan 0.000 0.464 312 F N 0.779 120.860 119.950 0.218 0.000 2.102 312 F HA -0.122 4.412 4.527 0.010 0.000 0.298 312 F C 2.267 178.178 175.800 0.185 0.000 1.105 312 F CA 1.457 59.582 58.000 0.207 0.000 1.239 312 F CB -0.330 38.754 39.000 0.141 0.000 0.991 312 F HN -0.120 nan 8.300 nan 0.000 0.474 313 S N -0.142 115.675 115.700 0.194 0.000 2.522 313 S HA 0.061 4.537 4.470 0.010 0.000 0.227 313 S C 2.073 176.763 174.600 0.149 0.000 0.986 313 S CA 0.616 58.904 58.200 0.146 0.000 0.929 313 S CB -0.489 62.868 63.200 0.261 0.000 0.769 313 S HN 0.595 nan 8.310 nan 0.000 0.529 314 G N 0.744 109.610 108.800 0.110 0.000 2.426 314 G HA2 -0.110 3.855 3.960 0.010 0.000 0.214 314 G HA3 -0.110 3.855 3.960 0.010 0.000 0.214 314 G C 1.184 176.109 174.900 0.042 0.000 1.156 314 G CA 0.174 45.320 45.100 0.077 0.000 0.802 314 G HN 0.462 nan 8.290 nan 0.000 0.534 315 H N 0.282 119.383 119.070 0.052 0.000 2.423 315 H HA 0.034 4.596 4.556 0.011 0.000 0.297 315 H C 2.380 177.693 175.328 -0.024 0.000 1.075 315 H CA 1.440 57.511 56.048 0.039 0.000 1.342 315 H CB 0.249 30.018 29.762 0.011 0.000 1.395 315 H HN 0.373 nan 8.280 nan 0.000 0.530 316 K N 0.015 120.372 120.400 -0.072 0.000 2.044 316 K HA -0.095 4.231 4.320 0.010 0.000 0.204 316 K C 1.445 177.838 176.600 -0.344 0.000 1.045 316 K CA 0.971 57.067 56.287 -0.318 0.000 0.951 316 K CB 0.180 32.282 32.500 -0.664 0.000 0.738 316 K HN 0.141 nan 8.250 nan 0.000 0.443 317 Y N -0.361 119.933 120.300 -0.009 0.000 2.503 317 Y HA 0.271 4.830 4.550 0.016 0.000 0.277 317 Y C 0.912 176.815 175.900 0.005 0.000 1.102 317 Y CA 0.461 58.557 58.100 -0.006 0.000 1.261 317 Y CB 0.712 39.163 38.460 -0.015 0.000 1.096 317 Y HN 0.293 nan 8.280 nan 0.000 0.546 318 G N 0.474 109.354 108.800 0.133 0.000 2.663 318 G HA2 -0.146 3.820 3.960 0.010 0.000 0.686 318 G HA3 -0.146 3.820 3.960 0.010 0.000 0.686 318 G C -2.111 172.808 174.900 0.032 0.000 1.246 318 G CA -0.522 44.623 45.100 0.075 0.000 0.795 318 G HN -0.014 nan 8.290 nan 0.000 0.627 319 P HA 0.041 nan 4.420 nan 0.000 0.223 319 P C 1.098 178.222 177.300 -0.292 0.000 1.151 319 P CA 1.267 64.236 63.100 -0.218 0.000 0.787 319 P CB -0.024 31.377 31.700 -0.497 0.000 0.788 320 F N -0.128 119.872 119.950 0.083 0.000 2.664 320 F HA 0.377 4.910 4.527 0.009 0.000 0.303 320 F C 1.744 177.562 175.800 0.029 0.000 1.092 320 F CA -0.719 57.312 58.000 0.053 0.000 1.305 320 F CB -0.622 38.398 39.000 0.033 0.000 1.054 320 F HN -0.176 nan 8.300 nan 0.000 0.565 321 G N 1.893 110.779 108.800 0.143 0.000 2.441 321 G HA2 0.240 4.206 3.960 0.010 0.000 0.243 321 G HA3 0.240 4.206 3.960 0.010 0.000 0.243 321 G C -1.351 173.552 174.900 0.005 0.000 1.281 321 G CA -0.812 44.337 45.100 0.082 0.000 0.854 321 G HN 0.008 nan 8.290 nan 0.000 0.560 322 P HA 0.000 nan 4.420 nan 0.000 0.229 322 P C 0.847 178.062 177.300 -0.142 0.000 1.160 322 P CA 0.746 63.808 63.100 -0.064 0.000 0.777 322 P CB 0.489 32.160 31.700 -0.048 0.000 0.814 323 E N -0.898 119.149 120.200 -0.256 0.000 2.418 323 E HA -0.050 4.306 4.350 0.010 0.000 0.197 323 E C 1.804 178.196 176.600 -0.346 0.000 1.026 323 E CA 0.554 56.685 56.400 -0.450 0.000 0.862 323 E CB -0.656 28.383 29.700 -1.103 0.000 0.799 323 E HN 0.104 nan 8.360 nan 0.000 0.518 324 M N -0.022 119.446 119.600 -0.221 0.000 2.476 324 M HA -0.061 4.425 4.480 0.010 0.000 0.262 324 M C 1.523 177.704 176.300 -0.200 0.000 1.079 324 M CA 1.202 56.390 55.300 -0.186 0.000 1.104 324 M CB -0.124 32.366 32.600 -0.183 0.000 1.409 324 M HN -0.003 nan 8.290 nan 0.000 0.467 325 T N 0.266 114.725 114.554 -0.159 0.000 2.708 325 T HA -0.105 4.251 4.350 0.010 0.000 0.266 325 T C 1.703 176.339 174.700 -0.107 0.000 1.037 325 T CA 1.596 63.619 62.100 -0.129 0.000 1.146 325 T CB -0.372 68.440 68.868 -0.094 0.000 0.865 325 T HN 0.445 nan 8.240 nan 0.000 0.435 326 N N 1.139 119.782 118.700 -0.095 0.000 2.084 326 N HA -0.062 4.684 4.740 0.010 0.000 0.190 326 N C -0.849 174.637 175.510 -0.041 0.000 1.030 326 N CA 1.439 54.452 53.050 -0.061 0.000 0.849 326 N CB -1.187 37.270 38.487 -0.051 0.000 1.012 326 N HN 0.383 nan 8.380 nan 0.000 0.423 327 P HA -0.085 nan 4.420 nan 0.000 0.220 327 P C 1.714 179.003 177.300 -0.019 0.000 1.148 327 P CA 0.890 63.990 63.100 -0.000 0.000 0.803 327 P CB -0.049 31.668 31.700 0.029 0.000 0.782 328 L N -0.831 120.348 121.223 -0.074 0.000 2.156 328 L HA -0.045 4.301 4.340 0.010 0.000 0.208 328 L C 2.956 179.817 176.870 -0.015 0.000 1.095 328 L CA 1.191 55.993 54.840 -0.062 0.000 0.770 328 L CB -0.518 41.439 42.059 -0.169 0.000 0.914 328 L HN -0.130 nan 8.230 nan 0.000 0.439 329 R N -0.245 120.234 120.500 -0.035 0.000 2.115 329 R HA -0.155 4.191 4.340 0.010 0.000 0.230 329 R C 2.084 178.369 176.300 -0.025 0.000 1.111 329 R CA 1.047 57.127 56.100 -0.033 0.000 0.976 329 R CB -0.067 30.209 30.300 -0.039 0.000 0.870 329 R HN 0.247 nan 8.270 nan 0.000 0.445 330 E N 0.320 120.514 120.200 -0.011 0.000 2.152 330 E HA -0.099 4.257 4.350 0.010 0.000 0.192 330 E C 1.755 178.349 176.600 -0.010 0.000 0.983 330 E CA 0.700 57.095 56.400 -0.007 0.000 0.818 330 E CB 0.097 29.803 29.700 0.009 0.000 0.758 330 E HN 0.147 nan 8.360 nan 0.000 0.467 331 I N 0.811 121.394 120.570 0.022 0.000 2.179 331 I HA -0.235 3.941 4.170 0.010 0.000 0.242 331 I C 2.028 178.150 176.117 0.008 0.000 1.088 331 I CA 1.551 62.896 61.300 0.076 0.000 1.357 331 I CB -1.152 36.968 38.000 0.200 0.000 1.051 331 I HN 0.149 nan 8.210 nan 0.000 0.409 332 D N 0.718 121.095 120.400 -0.038 0.000 2.178 332 D HA -0.218 4.428 4.640 0.010 0.000 0.201 332 D C 2.285 178.510 176.300 -0.125 0.000 0.980 332 D CA 1.095 55.025 54.000 -0.117 0.000 0.842 332 D CB 0.108 40.849 40.800 -0.099 0.000 0.948 332 D HN 0.166 nan 8.370 nan 0.000 0.472 333 K N -0.792 119.556 120.400 -0.086 0.000 2.097 333 K HA -0.100 4.226 4.320 0.010 0.000 0.205 333 K C 1.723 178.263 176.600 -0.101 0.000 1.050 333 K CA 1.455 57.691 56.287 -0.085 0.000 0.938 333 K CB 0.051 32.519 32.500 -0.055 0.000 0.718 333 K HN 0.127 nan 8.250 nan 0.000 0.442 334 T N 0.391 114.887 114.554 -0.096 0.000 2.857 334 T HA -0.082 4.274 4.350 0.010 0.000 0.266 334 T C 1.852 176.445 174.700 -0.178 0.000 1.048 334 T CA 1.101 63.130 62.100 -0.117 0.000 1.139 334 T CB -0.073 68.756 68.868 -0.066 0.000 0.874 334 T HN -0.031 nan 8.240 nan 0.000 0.455 335 V N 1.650 121.412 119.914 -0.253 0.000 2.343 335 V HA -0.090 4.036 4.120 0.010 0.000 0.247 335 V C 2.897 178.786 176.094 -0.342 0.000 1.051 335 V CA 1.960 63.987 62.300 -0.455 0.000 1.036 335 V CB -1.351 30.109 31.823 -0.605 0.000 0.654 335 V HN 0.598 nan 8.190 nan 0.000 0.451 336 G N -1.230 107.435 108.800 -0.225 0.000 2.422 336 G HA2 -0.265 3.701 3.960 0.010 0.000 0.218 336 G HA3 -0.265 3.701 3.960 0.010 0.000 0.218 336 G C 1.504 176.333 174.900 -0.119 0.000 1.146 336 G CA 0.715 45.730 45.100 -0.140 0.000 0.769 336 G HN 0.542 nan 8.290 nan 0.000 0.547 337 Q N -0.797 118.923 119.800 -0.133 0.000 2.119 337 Q HA 0.023 4.369 4.340 0.010 0.000 0.201 337 Q C 2.492 178.404 176.000 -0.148 0.000 0.972 337 Q CA 0.890 56.627 55.803 -0.110 0.000 0.847 337 Q CB -0.180 28.485 28.738 -0.121 0.000 0.903 337 Q HN 0.439 nan 8.270 nan 0.000 0.433 338 L N 0.086 121.181 121.223 -0.214 0.000 2.027 338 L HA -0.159 4.187 4.340 0.010 0.000 0.206 338 L C 2.101 178.810 176.870 -0.267 0.000 1.074 338 L CA 1.467 56.168 54.840 -0.233 0.000 0.745 338 L CB -0.196 41.713 42.059 -0.249 0.000 0.898 338 L HN 0.205 nan 8.230 nan 0.000 0.433 339 M N -0.878 118.487 119.600 -0.391 0.000 2.175 339 M HA -0.155 4.331 4.480 0.010 0.000 0.264 339 M C 1.880 177.971 176.300 -0.348 0.000 1.063 339 M CA 1.326 56.263 55.300 -0.606 0.000 1.119 339 M CB -1.398 30.488 32.600 -1.190 0.000 1.377 339 M HN 0.235 nan 8.290 nan 0.000 0.415 340 D N 0.113 120.429 120.400 -0.140 0.000 2.178 340 D HA -0.041 4.604 4.640 0.010 0.000 0.202 340 D C 2.099 178.375 176.300 -0.039 0.000 0.974 340 D CA 1.443 55.436 54.000 -0.012 0.000 0.841 340 D CB -0.450 40.399 40.800 0.081 0.000 0.953 340 D HN 0.438 nan 8.370 nan 0.000 0.478 341 G N 0.607 109.367 108.800 -0.068 0.000 2.402 341 G HA2 -0.173 3.793 3.960 0.010 0.000 0.216 341 G HA3 -0.173 3.793 3.960 0.010 0.000 0.216 341 G C 1.755 176.631 174.900 -0.040 0.000 1.162 341 G CA 0.202 45.272 45.100 -0.051 0.000 0.777 341 G HN 0.246 nan 8.290 nan 0.000 0.539 342 L N -0.068 121.114 121.223 -0.069 0.000 2.141 342 L HA 0.049 4.395 4.340 0.010 0.000 0.209 342 L C 2.769 179.682 176.870 0.072 0.000 1.094 342 L CA 1.102 55.934 54.840 -0.012 0.000 0.763 342 L CB -0.199 41.831 42.059 -0.048 0.000 0.908 342 L HN 0.160 nan 8.230 nan 0.000 0.437 343 K N -0.052 120.333 120.400 -0.025 0.000 2.103 343 K HA -0.210 4.116 4.320 0.010 0.000 0.204 343 K C 2.164 178.748 176.600 -0.027 0.000 1.052 343 K CA 1.216 57.408 56.287 -0.157 0.000 0.945 343 K CB 0.078 32.434 32.500 -0.240 0.000 0.722 343 K HN 0.273 nan 8.250 nan 0.000 0.443 344 Q N 0.275 120.078 119.800 0.005 0.000 2.119 344 Q HA -0.062 4.283 4.340 0.010 0.000 0.201 344 Q C 1.719 177.755 176.000 0.059 0.000 0.972 344 Q CA 1.040 56.865 55.803 0.038 0.000 0.847 344 Q CB 0.165 28.932 28.738 0.047 0.000 0.903 344 Q HN 0.308 nan 8.270 nan 0.000 0.433 345 L N -0.342 120.918 121.223 0.062 0.000 2.591 345 L HA 0.137 4.482 4.340 0.010 0.000 0.228 345 L C 0.101 177.022 176.870 0.085 0.000 1.133 345 L CA -0.013 54.867 54.840 0.066 0.000 0.880 345 L CB 0.271 42.362 42.059 0.054 0.000 1.033 345 L HN 0.143 nan 8.230 nan 0.000 0.450 346 R N -1.119 119.469 120.500 0.148 0.000 3.641 346 R HA -0.206 4.140 4.340 0.010 0.000 0.286 346 R C 0.399 176.752 176.300 0.088 0.000 1.153 346 R CA 0.365 56.590 56.100 0.209 0.000 0.775 346 R CB -1.928 28.445 30.300 0.121 0.000 1.215 346 R HN 0.134 nan 8.270 nan 0.000 0.474 347 L N 0.079 121.363 121.223 0.103 0.000 2.808 347 L HA 0.157 4.503 4.340 0.010 0.000 0.246 347 L C 2.044 178.920 176.870 0.010 0.000 1.153 347 L CA 0.348 55.183 54.840 -0.007 0.000 0.956 347 L CB -0.023 42.048 42.059 0.020 0.000 1.270 347 L HN 0.406 nan 8.230 nan 0.000 0.528 348 H N -1.108 117.968 119.070 0.010 0.000 2.491 348 H HA 0.007 4.568 4.556 0.010 0.000 0.290 348 H C 0.948 176.337 175.328 0.102 0.000 1.050 348 H CA 0.800 56.873 56.048 0.041 0.000 1.309 348 H CB -0.020 29.785 29.762 0.072 0.000 1.392 348 H HN 0.284 nan 8.280 nan 0.000 0.554 349 R N -0.170 120.117 120.500 -0.354 0.000 2.586 349 R HA 0.211 4.557 4.340 0.010 0.000 0.336 349 R C 0.784 176.991 176.300 -0.154 0.000 1.060 349 R CA 0.202 56.165 56.100 -0.228 0.000 1.079 349 R CB 0.319 30.430 30.300 -0.315 0.000 1.317 349 R HN 0.319 nan 8.270 nan 0.000 0.568 350 c N -0.923 117.610 118.600 -0.111 0.000 2.544 350 c HA 0.299 4.875 4.570 0.010 0.000 0.475 350 c C 0.779 174.871 174.090 0.004 0.000 1.360 350 c CA -0.036 56.242 56.329 -0.085 0.000 2.555 350 c CB 0.160 42.573 42.510 -0.161 0.000 3.012 350 c HN 0.041 nan 8.230 nan 0.000 0.552 351 V N 3.885 123.827 119.914 0.047 0.000 2.811 351 V HA 0.244 4.370 4.120 0.010 0.000 0.302 351 V C -0.261 175.907 176.094 0.123 0.000 1.063 351 V CA 0.251 62.619 62.300 0.112 0.000 1.088 351 V CB 0.660 32.557 31.823 0.122 0.000 0.982 351 V HN 0.494 nan 8.190 nan 0.000 0.485 352 N N 2.584 121.383 118.700 0.165 0.000 2.437 352 N HA 0.451 5.197 4.740 0.010 0.000 0.259 352 N C -0.716 174.953 175.510 0.266 0.000 0.983 352 N CA -0.171 53.017 53.050 0.229 0.000 0.937 352 N CB 2.019 40.635 38.487 0.216 0.000 1.122 352 N HN 0.601 nan 8.380 nan 0.000 0.499 353 V N 0.914 120.989 119.914 0.268 0.000 2.513 353 V HA 0.673 4.799 4.120 0.010 0.000 0.299 353 V C 0.018 176.188 176.094 0.127 0.000 1.035 353 V CA -0.798 61.620 62.300 0.196 0.000 0.889 353 V CB 1.528 33.422 31.823 0.118 0.000 0.988 353 V HN 0.390 nan 8.190 nan 0.000 0.440 354 I N 4.895 125.547 120.570 0.137 0.000 2.436 354 I HA 0.446 4.622 4.170 0.010 0.000 0.289 354 I C -1.143 175.038 176.117 0.107 0.000 1.010 354 I CA -0.339 60.989 61.300 0.047 0.000 1.098 354 I CB 2.011 40.127 38.000 0.193 0.000 1.266 354 I HN 0.719 nan 8.210 nan 0.000 0.434 355 F N 8.312 128.149 119.950 -0.188 0.000 2.308 355 F HA 0.643 5.177 4.527 0.010 0.000 0.370 355 F C -0.810 174.926 175.800 -0.106 0.000 1.100 355 F CA -0.417 57.500 58.000 -0.139 0.000 1.108 355 F CB 0.877 39.703 39.000 -0.291 0.000 1.293 355 F HN 0.148 nan 8.300 nan 0.000 0.478 356 V N 5.130 124.874 119.914 -0.283 0.000 3.040 356 V HA 0.921 5.047 4.120 0.010 0.000 0.312 356 V C -0.160 175.792 176.094 -0.236 0.000 1.115 356 V CA -0.205 62.020 62.300 -0.126 0.000 0.998 356 V CB 1.974 33.891 31.823 0.158 0.000 1.042 356 V HN 0.806 nan 8.190 nan 0.000 0.433 357 G N 1.512 110.242 108.800 -0.116 0.000 3.016 357 G HA2 0.570 4.536 3.960 0.010 0.000 0.270 357 G HA3 0.570 4.536 3.960 0.010 0.000 0.270 357 G C -0.287 174.583 174.900 -0.050 0.000 1.352 357 G CA 0.359 45.399 45.100 -0.101 0.000 1.060 357 G HN 0.756 nan 8.290 nan 0.000 0.538 358 D N -2.900 117.428 120.400 -0.119 0.000 2.403 358 D HA 0.142 4.788 4.640 0.010 0.000 0.280 358 D C 0.524 176.802 176.300 -0.036 0.000 1.091 358 D CA 0.877 54.825 54.000 -0.087 0.000 0.884 358 D CB 0.266 41.005 40.800 -0.102 0.000 1.427 358 D HN 0.633 nan 8.370 nan 0.000 0.504 359 H N -2.500 116.571 119.070 0.003 0.000 2.917 359 H HA 0.673 5.238 4.556 0.014 0.000 0.299 359 H C 0.046 175.353 175.328 -0.035 0.000 1.418 359 H CA -0.866 55.172 56.048 -0.016 0.000 1.138 359 H CB 0.998 30.719 29.762 -0.068 0.000 1.830 359 H HN 0.082 nan 8.280 nan 0.000 0.514 360 G N -0.618 108.303 108.800 0.202 0.000 2.782 360 G HA2 0.550 4.516 3.960 0.010 0.000 0.201 360 G HA3 0.550 4.516 3.960 0.010 0.000 0.201 360 G C -0.997 173.973 174.900 0.118 0.000 1.374 360 G CA -0.758 44.389 45.100 0.079 0.000 1.039 360 G HN 0.711 nan 8.290 nan 0.000 0.576 361 M N -0.677 118.930 119.600 0.012 0.000 2.322 361 M HA 0.560 5.046 4.480 0.010 0.000 0.285 361 M C -1.548 174.746 176.300 -0.011 0.000 1.119 361 M CA -0.516 54.798 55.300 0.025 0.000 0.953 361 M CB 2.414 35.005 32.600 -0.015 0.000 1.701 361 M HN 0.547 nan 8.290 nan 0.000 0.479 362 E N 1.679 121.924 120.200 0.074 0.000 2.312 362 E HA 0.421 4.777 4.350 0.010 0.000 0.267 362 E C -1.444 175.192 176.600 0.062 0.000 0.894 362 E CA -0.420 56.016 56.400 0.060 0.000 0.773 362 E CB 1.499 31.262 29.700 0.106 0.000 1.241 362 E HN 0.652 nan 8.360 nan 0.000 0.432 363 D N 2.674 123.100 120.400 0.044 0.000 2.348 363 D HA 0.135 4.781 4.640 0.010 0.000 0.259 363 D C -0.579 175.719 176.300 -0.003 0.000 1.296 363 D CA 0.271 54.295 54.000 0.041 0.000 0.931 363 D CB 0.510 41.359 40.800 0.082 0.000 1.067 363 D HN 0.041 nan 8.370 nan 0.000 0.503 364 V N 2.617 122.535 119.914 0.008 0.000 2.487 364 V HA 0.343 4.469 4.120 0.010 0.000 0.298 364 V C 0.628 176.663 176.094 -0.098 0.000 1.028 364 V CA -0.651 61.614 62.300 -0.060 0.000 0.860 364 V CB 1.879 33.663 31.823 -0.065 0.000 0.991 364 V HN 0.559 nan 8.190 nan 0.000 0.427 365 T N -0.022 114.380 114.554 -0.252 0.000 2.883 365 T HA 0.322 4.678 4.350 0.010 0.000 0.284 365 T C 1.024 175.508 174.700 -0.360 0.000 1.041 365 T CA -0.400 61.449 62.100 -0.418 0.000 1.007 365 T CB 1.406 70.076 68.868 -0.330 0.000 1.220 365 T HN 0.488 nan 8.240 nan 0.000 0.552 366 C N 0.021 119.078 119.300 -0.406 0.000 2.457 366 C HA 0.032 4.498 4.460 0.010 0.000 0.278 366 C C 2.374 177.317 174.990 -0.078 0.000 1.309 366 C CA 0.656 59.579 59.018 -0.159 0.000 1.735 366 C CB -1.482 26.164 27.740 -0.157 0.000 1.992 366 C HN 0.959 nan 8.230 nan 0.000 0.493 367 D N 0.777 121.091 120.400 -0.144 0.000 2.117 367 D HA -0.096 4.550 4.640 0.010 0.000 0.197 367 D C 1.317 177.503 176.300 -0.190 0.000 0.987 367 D CA 0.840 54.770 54.000 -0.117 0.000 0.829 367 D CB -0.147 40.575 40.800 -0.129 0.000 0.961 367 D HN 0.633 nan 8.370 nan 0.000 0.460 368 R N 0.813 121.058 120.500 -0.425 0.000 2.565 368 R HA 0.392 4.738 4.340 0.010 0.000 0.286 368 R C -0.944 175.061 176.300 -0.491 0.000 1.256 368 R CA -0.125 55.419 56.100 -0.926 0.000 1.238 368 R CB 0.106 29.268 30.300 -1.897 0.000 1.153 368 R HN -0.191 nan 8.270 nan 0.000 0.553 369 T N 1.350 115.879 114.554 -0.041 0.000 2.952 369 T HA 0.241 4.597 4.350 0.010 0.000 0.305 369 T C -0.866 173.868 174.700 0.057 0.000 1.064 369 T CA -0.862 61.262 62.100 0.039 0.000 1.008 369 T CB 2.409 71.176 68.868 -0.168 0.000 1.078 369 T HN 0.375 nan 8.240 nan 0.000 0.459 370 E N 1.959 122.191 120.200 0.054 0.000 2.156 370 E HA 0.416 4.772 4.350 0.010 0.000 0.279 370 E C -1.076 175.417 176.600 -0.179 0.000 0.965 370 E CA -0.400 56.081 56.400 0.136 0.000 0.789 370 E CB 1.388 31.307 29.700 0.365 0.000 1.098 370 E HN 0.452 nan 8.360 nan 0.000 0.397 371 F N 2.114 122.227 119.950 0.272 0.000 2.436 371 F HA 0.223 4.719 4.527 -0.051 0.000 0.340 371 F C 1.538 177.486 175.800 0.246 0.000 1.113 371 F CA -0.575 57.536 58.000 0.184 0.000 1.022 371 F CB 0.983 40.076 39.000 0.155 0.000 1.128 371 F HN 0.365 nan 8.300 nan 0.000 0.466 372 L N 1.371 122.763 121.223 0.281 0.000 2.291 372 L HA -0.142 4.204 4.340 0.010 0.000 0.214 372 L C 2.282 179.322 176.870 0.283 0.000 1.120 372 L CA 1.066 56.043 54.840 0.229 0.000 0.799 372 L CB -0.404 41.697 42.059 0.070 0.000 0.925 372 L HN 0.776 nan 8.230 nan 0.000 0.446 373 S N -0.827 115.022 115.700 0.250 0.000 2.469 373 S HA -0.119 4.357 4.470 0.010 0.000 0.238 373 S C 1.351 176.036 174.600 0.141 0.000 0.998 373 S CA 1.177 59.473 58.200 0.159 0.000 0.957 373 S CB -0.462 62.797 63.200 0.098 0.000 0.764 373 S HN 0.452 nan 8.310 nan 0.000 0.514 374 N N -0.212 118.607 118.700 0.198 0.000 2.336 374 N HA 0.273 5.019 4.740 0.010 0.000 0.189 374 N C 0.315 175.756 175.510 -0.115 0.000 1.113 374 N CA 0.372 53.443 53.050 0.035 0.000 0.858 374 N CB 0.016 38.514 38.487 0.018 0.000 0.970 374 N HN 0.565 nan 8.380 nan 0.000 0.471 375 Y N -0.716 119.657 120.300 0.121 0.000 2.921 375 Y HA 0.321 4.873 4.550 0.003 0.000 0.246 375 Y C 0.721 176.665 175.900 0.073 0.000 1.030 375 Y CA -0.611 57.554 58.100 0.109 0.000 1.338 375 Y CB 0.002 38.570 38.460 0.180 0.000 1.493 375 Y HN -0.111 nan 8.280 nan 0.000 0.452 376 L N 2.118 123.495 121.223 0.257 0.000 2.492 376 L HA -0.042 4.304 4.340 0.010 0.000 0.280 376 L C 1.714 178.638 176.870 0.089 0.000 1.240 376 L CA 1.349 56.273 54.840 0.140 0.000 0.831 376 L CB 0.762 42.889 42.059 0.113 0.000 1.100 376 L HN 0.547 nan 8.230 nan 0.000 0.505 377 T N 0.276 114.863 114.554 0.056 0.000 2.698 377 T HA -0.097 4.259 4.350 0.010 0.000 0.260 377 T C 1.298 176.018 174.700 0.034 0.000 1.044 377 T CA 1.423 63.543 62.100 0.034 0.000 1.149 377 T CB 0.044 68.921 68.868 0.014 0.000 0.864 377 T HN 0.616 nan 8.240 nan 0.000 0.419 378 N N -0.406 118.316 118.700 0.037 0.000 2.606 378 N HA 0.347 5.093 4.740 0.010 0.000 0.208 378 N C 1.326 176.863 175.510 0.046 0.000 1.046 378 N CA 0.769 53.842 53.050 0.038 0.000 0.891 378 N CB 0.271 38.781 38.487 0.038 0.000 1.344 378 N HN 0.178 nan 8.380 nan 0.000 0.437 379 V N 0.797 120.744 119.914 0.055 0.000 0.449 379 V HA -0.392 3.734 4.120 0.010 0.000 0.083 379 V C 0.600 176.725 176.094 0.051 0.000 2.726 379 V CA 2.476 64.812 62.300 0.060 0.000 3.784 379 V CB -0.816 31.048 31.823 0.068 0.000 1.096 379 V HN 0.393 nan 8.190 nan 0.000 1.124 380 D N -0.587 119.839 120.400 0.043 0.000 2.269 380 D HA -0.071 4.575 4.640 0.010 0.000 0.208 380 D C 1.166 177.487 176.300 0.035 0.000 0.963 380 D CA 1.610 55.629 54.000 0.033 0.000 0.864 380 D CB -0.097 40.718 40.800 0.026 0.000 0.936 380 D HN 0.776 nan 8.370 nan 0.000 0.505 381 D N -0.010 120.421 120.400 0.052 0.000 2.340 381 D HA 0.111 4.756 4.640 0.010 0.000 0.217 381 D C 0.498 176.846 176.300 0.080 0.000 1.081 381 D CA 0.023 54.061 54.000 0.063 0.000 0.842 381 D CB 0.331 41.182 40.800 0.085 0.000 0.934 381 D HN 0.325 nan 8.370 nan 0.000 0.511 382 I N -3.356 117.259 120.570 0.075 0.000 2.957 382 I HA 0.599 4.774 4.170 0.010 0.000 0.310 382 I C -0.448 175.686 176.117 0.028 0.000 1.063 382 I CA -0.713 60.636 61.300 0.080 0.000 1.033 382 I CB 2.173 40.258 38.000 0.142 0.000 1.230 382 I HN -0.391 nan 8.210 nan 0.000 0.447 383 T N 4.513 119.072 114.554 0.009 0.000 2.829 383 T HA 0.739 5.095 4.350 0.010 0.000 0.280 383 T C -0.996 173.702 174.700 -0.003 0.000 0.999 383 T CA -0.366 61.726 62.100 -0.014 0.000 0.983 383 T CB 1.515 70.351 68.868 -0.053 0.000 0.968 383 T HN 0.720 nan 8.240 nan 0.000 0.446 384 L N 2.780 123.996 121.223 -0.012 0.000 2.431 384 L HA 0.725 5.071 4.340 0.010 0.000 0.266 384 L C -1.303 175.549 176.870 -0.031 0.000 0.978 384 L CA -0.751 54.075 54.840 -0.022 0.000 0.822 384 L CB 1.904 43.942 42.059 -0.034 0.000 1.310 384 L HN 0.451 nan 8.230 nan 0.000 0.409 385 V N 6.568 126.462 119.914 -0.034 0.000 2.353 385 V HA 0.447 4.572 4.120 0.010 0.000 0.264 385 V C -1.888 174.155 176.094 -0.085 0.000 1.049 385 V CA -0.956 61.320 62.300 -0.040 0.000 0.896 385 V CB 0.308 32.124 31.823 -0.013 0.000 1.025 385 V HN 0.723 nan 8.190 nan 0.000 0.475 386 P HA 0.759 nan 4.420 nan 0.000 0.301 386 P C 0.414 177.595 177.300 -0.198 0.000 1.309 386 P CA 0.333 63.341 63.100 -0.153 0.000 0.782 386 P CB 1.786 33.393 31.700 -0.154 0.000 1.282 387 G N -0.588 108.064 108.800 -0.248 0.000 2.594 387 G HA2 -0.210 3.756 3.960 0.010 0.000 0.217 387 G HA3 -0.210 3.756 3.960 0.010 0.000 0.217 387 G C 0.848 175.707 174.900 -0.069 0.000 1.163 387 G CA 0.400 45.316 45.100 -0.307 0.000 1.074 387 G HN 0.681 nan 8.290 nan 0.000 0.589 388 T N 0.093 114.576 114.554 -0.120 0.000 3.098 388 T HA 0.379 4.735 4.350 0.010 0.000 0.266 388 T C 1.004 175.636 174.700 -0.113 0.000 1.145 388 T CA 1.938 63.878 62.100 -0.266 0.000 1.092 388 T CB -0.714 67.671 68.868 -0.805 0.000 0.908 388 T HN 1.756 nan 8.240 nan 0.000 0.526 389 L N -3.897 117.269 121.223 -0.094 0.000 2.479 389 L HA 0.940 5.286 4.340 0.010 0.000 0.255 389 L C -0.636 176.147 176.870 -0.144 0.000 1.026 389 L CA -1.474 53.324 54.840 -0.069 0.000 0.842 389 L CB 1.678 43.699 42.059 -0.063 0.000 1.444 389 L HN -0.066 nan 8.230 nan 0.000 0.409 390 G N 0.455 109.106 108.800 -0.249 0.000 2.687 390 G HA2 0.756 4.722 3.960 0.010 0.000 0.301 390 G HA3 0.756 4.722 3.960 0.010 0.000 0.301 390 G C -1.430 173.297 174.900 -0.289 0.000 1.416 390 G CA -0.807 44.149 45.100 -0.240 0.000 1.005 390 G HN 0.558 nan 8.290 nan 0.000 0.509 391 R N 2.217 122.649 120.500 -0.113 0.000 2.502 391 R HA 0.375 4.721 4.340 0.010 0.000 0.298 391 R C -0.968 175.344 176.300 0.020 0.000 1.018 391 R CA -0.637 55.464 56.100 0.001 0.000 0.899 391 R CB 2.154 32.508 30.300 0.091 0.000 1.181 391 R HN 0.448 nan 8.270 nan 0.000 0.444 392 I N 3.743 124.342 120.570 0.049 0.000 2.412 392 I HA 0.517 4.693 4.170 0.010 0.000 0.296 392 I C 0.303 176.479 176.117 0.097 0.000 0.987 392 I CA -0.753 60.586 61.300 0.066 0.000 1.180 392 I CB 1.452 39.495 38.000 0.073 0.000 1.340 392 I HN 0.523 nan 8.210 nan 0.000 0.455 393 R N 4.403 124.944 120.500 0.068 0.000 2.781 393 R HA 0.890 5.236 4.340 0.010 0.000 0.269 393 R C -1.252 174.987 176.300 -0.101 0.000 1.025 393 R CA -0.959 55.141 56.100 0.001 0.000 0.914 393 R CB 1.373 31.655 30.300 -0.030 0.000 1.236 393 R HN 0.546 nan 8.270 nan 0.000 0.465 394 A N 1.362 123.949 122.820 -0.388 0.000 2.280 394 A HA 0.409 4.735 4.320 0.010 0.000 0.268 394 A C -0.352 177.088 177.584 -0.240 0.000 1.111 394 A CA -0.464 51.274 52.037 -0.498 0.000 0.814 394 A CB 0.410 18.857 19.000 -0.922 0.000 1.093 394 A HN 0.634 nan 8.150 nan 0.000 0.498 403 D N 7.076 127.207 120.400 -0.449 0.000 2.764 403 D HA 0.412 5.058 4.640 0.010 0.000 0.227 403 D C -2.433 173.639 176.300 -0.379 0.000 1.347 403 D CA -1.788 52.058 54.000 -0.257 0.000 0.953 403 D CB 2.566 43.294 40.800 -0.120 0.000 1.476 403 D HN 0.204 nan 8.370 nan 0.000 0.585 404 P HA 0.001 nan 4.420 nan 0.000 0.231 404 P C 0.951 178.213 177.300 -0.064 0.000 1.168 404 P CA 0.428 63.460 63.100 -0.114 0.000 0.779 404 P CB 0.511 32.240 31.700 0.049 0.000 0.844 405 K N 0.137 120.506 120.400 -0.052 0.000 2.057 405 K HA -0.078 4.247 4.320 0.010 0.000 0.207 405 K C 2.062 178.633 176.600 -0.048 0.000 1.049 405 K CA 2.186 58.453 56.287 -0.033 0.000 0.931 405 K CB -0.570 31.916 32.500 -0.023 0.000 0.714 405 K HN 0.282 nan 8.250 nan 0.000 0.440 406 T N -0.800 113.711 114.554 -0.072 0.000 2.985 406 T HA 0.035 4.390 4.350 0.010 0.000 0.266 406 T C 1.906 176.569 174.700 -0.061 0.000 1.076 406 T CA 0.506 62.567 62.100 -0.065 0.000 1.135 406 T CB -0.239 68.589 68.868 -0.068 0.000 0.890 406 T HN 0.051 nan 8.240 nan 0.000 0.480 407 I N 0.964 121.483 120.570 -0.085 0.000 2.286 407 I HA -0.063 4.113 4.170 0.010 0.000 0.245 407 I C 2.393 178.502 176.117 -0.014 0.000 1.104 407 I CA 0.885 62.151 61.300 -0.056 0.000 1.397 407 I CB -0.361 37.587 38.000 -0.088 0.000 1.072 407 I HN 0.137 nan 8.210 nan 0.000 0.417 408 I N 1.222 121.783 120.570 -0.016 0.000 2.226 408 I HA -0.255 3.921 4.170 0.010 0.000 0.245 408 I C 2.894 178.995 176.117 -0.025 0.000 1.100 408 I CA 1.649 62.943 61.300 -0.011 0.000 1.374 408 I CB -1.429 36.565 38.000 -0.010 0.000 1.057 408 I HN 0.186 nan 8.210 nan 0.000 0.413 409 A N 1.032 123.834 122.820 -0.030 0.000 1.908 409 A HA -0.141 4.185 4.320 0.010 0.000 0.218 409 A C 2.458 180.034 177.584 -0.014 0.000 1.181 409 A CA 2.033 54.049 52.037 -0.034 0.000 0.627 409 A CB -0.717 18.261 19.000 -0.035 0.000 0.818 409 A HN 0.436 nan 8.150 nan 0.000 0.445 410 A N -1.255 121.571 122.820 0.009 0.000 2.168 410 A HA 0.294 4.620 4.320 0.010 0.000 0.215 410 A C 1.799 179.447 177.584 0.106 0.000 1.152 410 A CA 0.997 53.065 52.037 0.051 0.000 0.716 410 A CB -0.324 18.710 19.000 0.056 0.000 0.794 410 A HN 0.456 nan 8.150 nan 0.000 0.465 411 L N -0.768 120.493 121.223 0.063 0.000 2.664 411 L HA 0.097 4.443 4.340 0.010 0.000 0.233 411 L C 0.095 176.933 176.870 -0.053 0.000 1.113 411 L CA -0.032 54.836 54.840 0.047 0.000 0.896 411 L CB 0.292 42.391 42.059 0.067 0.000 1.163 411 L HN 0.072 nan 8.230 nan 0.000 0.497 412 T N 0.181 114.700 114.554 -0.058 0.000 2.779 412 T HA 0.058 4.414 4.350 0.010 0.000 0.296 412 T C 0.755 175.390 174.700 -0.108 0.000 0.938 412 T CA -0.438 61.595 62.100 -0.112 0.000 1.119 412 T CB 0.211 69.010 68.868 -0.115 0.000 0.891 412 T HN 0.267 nan 8.240 nan 0.000 0.526 413 c N 4.374 122.881 118.600 -0.155 0.000 3.139 413 c HA -0.126 4.450 4.570 0.010 0.000 0.246 413 c C 1.740 175.774 174.090 -0.094 0.000 1.420 413 c CA -0.114 56.126 56.329 -0.149 0.000 2.166 413 c CB -1.976 40.441 42.510 -0.156 0.000 1.420 413 c HN 0.842 nan 8.230 nan 0.000 0.484 414 K N 0.813 121.190 120.400 -0.038 0.000 2.099 414 K HA 0.092 4.418 4.320 0.010 0.000 0.203 414 K C 0.994 177.573 176.600 -0.036 0.000 1.047 414 K CA 0.826 57.112 56.287 -0.001 0.000 0.963 414 K CB 0.131 32.685 32.500 0.090 0.000 0.759 414 K HN 0.668 nan 8.250 nan 0.000 0.451 415 K N 1.248 121.636 120.400 -0.020 0.000 2.143 415 K HA 0.126 4.452 4.320 0.010 0.000 0.272 415 K C -1.875 174.661 176.600 -0.106 0.000 1.001 415 K CA -1.832 54.419 56.287 -0.060 0.000 0.915 415 K CB 1.505 33.995 32.500 -0.016 0.000 1.047 415 K HN -0.250 nan 8.250 nan 0.000 0.458 416 P HA -0.095 nan 4.420 nan 0.000 0.215 416 P C -0.225 176.976 177.300 -0.166 0.000 1.157 416 P CA 1.109 64.140 63.100 -0.115 0.000 0.859 416 P CB 0.251 31.904 31.700 -0.080 0.000 0.786 417 D N -0.956 119.332 120.400 -0.187 0.000 2.325 417 D HA -0.009 4.636 4.640 0.010 0.000 0.225 417 D C 0.572 176.472 176.300 -0.666 0.000 1.096 417 D CA -0.018 53.794 54.000 -0.313 0.000 0.844 417 D CB -0.533 40.168 40.800 -0.165 0.000 0.925 417 D HN 0.288 nan 8.370 nan 0.000 0.513 418 Q N 0.985 120.496 119.800 -0.482 0.000 2.549 418 Q HA -0.152 4.194 4.340 0.010 0.000 0.347 418 Q C 0.231 175.787 176.000 -0.740 0.000 1.081 418 Q CA 0.741 56.228 55.803 -0.526 0.000 1.093 418 Q CB 0.331 28.804 28.738 -0.441 0.000 1.067 418 Q HN 0.370 nan 8.270 nan 0.000 0.398 419 H N 4.856 123.682 119.070 -0.407 0.000 2.507 419 H HA 0.161 4.724 4.556 0.011 0.000 0.294 419 H C -0.789 174.506 175.328 -0.054 0.000 1.064 419 H CA 0.119 55.929 56.048 -0.396 0.000 1.138 419 H CB -0.285 28.904 29.762 -0.954 0.000 1.515 419 H HN 0.438 nan 8.280 nan 0.000 0.547 420 F N -1.037 118.854 119.950 -0.098 0.000 2.641 420 F HA 0.557 5.100 4.527 0.027 0.000 0.308 420 F C -1.284 174.475 175.800 -0.068 0.000 1.105 420 F CA -1.434 56.538 58.000 -0.047 0.000 0.964 420 F CB 1.720 40.690 39.000 -0.050 0.000 1.294 420 F HN -0.328 nan 8.300 nan 0.000 0.442 421 K N 4.059 124.559 120.400 0.167 0.000 2.413 421 K HA 0.586 4.912 4.320 0.010 0.000 0.257 421 K C -2.967 173.716 176.600 0.137 0.000 0.946 421 K CA -2.165 54.150 56.287 0.048 0.000 0.823 421 K CB 2.031 34.566 32.500 0.058 0.000 1.109 421 K HN 0.446 nan 8.250 nan 0.000 0.427 422 P HA 0.200 nan 4.420 nan 0.000 0.284 422 P C -1.406 175.838 177.300 -0.094 0.000 1.253 422 P CA -0.143 62.990 63.100 0.056 0.000 0.800 422 P CB 0.608 32.327 31.700 0.032 0.000 0.961 423 Y N -0.022 120.357 120.300 0.132 0.000 2.588 423 Y HA 0.421 4.975 4.550 0.007 0.000 0.343 423 Y C 0.359 176.353 175.900 0.156 0.000 1.065 423 Y CA -1.114 57.076 58.100 0.150 0.000 1.038 423 Y CB 1.988 40.551 38.460 0.172 0.000 1.297 423 Y HN 0.128 nan 8.280 nan 0.000 0.467 424 M N 2.368 122.181 119.600 0.356 0.000 2.209 424 M HA 0.225 4.711 4.480 0.010 0.000 0.355 424 M C 1.039 177.397 176.300 0.098 0.000 1.171 424 M CA -0.699 54.721 55.300 0.199 0.000 1.069 424 M CB 1.637 34.361 32.600 0.206 0.000 1.622 424 M HN 0.858 nan 8.290 nan 0.000 0.459 425 K N 2.103 122.495 120.400 -0.014 0.000 2.242 425 K HA -0.260 4.066 4.320 0.010 0.000 0.206 425 K C 0.859 177.320 176.600 -0.232 0.000 1.045 425 K CA 1.955 58.165 56.287 -0.127 0.000 0.930 425 K CB -0.050 32.342 32.500 -0.181 0.000 0.726 425 K HN 0.560 nan 8.250 nan 0.000 0.462 426 Q N 0.480 120.070 119.800 -0.350 0.000 2.123 426 Q HA -0.054 4.292 4.340 0.010 0.000 0.199 426 Q C 1.063 176.922 176.000 -0.234 0.000 0.966 426 Q CA 1.641 57.207 55.803 -0.395 0.000 0.845 426 Q CB -0.126 28.285 28.738 -0.546 0.000 0.907 426 Q HN 0.701 nan 8.270 nan 0.000 0.439 427 H N -0.833 118.281 119.070 0.073 0.000 2.536 427 H HA 0.221 4.782 4.556 0.009 0.000 0.276 427 H C -0.257 175.199 175.328 0.213 0.000 1.019 427 H CA -0.484 55.675 56.048 0.185 0.000 1.159 427 H CB 0.131 30.022 29.762 0.216 0.000 1.373 427 H HN 0.083 nan 8.280 nan 0.000 0.584 428 L N 1.934 123.194 121.223 0.062 0.000 2.436 428 L HA 0.184 4.530 4.340 0.010 0.000 0.265 428 L C -1.849 174.938 176.870 -0.139 0.000 1.168 428 L CA -2.220 52.477 54.840 -0.238 0.000 0.815 428 L CB 0.520 42.407 42.059 -0.287 0.000 1.109 428 L HN 0.003 nan 8.230 nan 0.000 0.462 429 P HA -0.014 nan 4.420 nan 0.000 0.263 429 P C -0.095 177.086 177.300 -0.198 0.000 1.195 429 P CA -0.140 62.823 63.100 -0.228 0.000 0.762 429 P CB 0.339 31.781 31.700 -0.429 0.000 0.799 430 K N 3.898 124.206 120.400 -0.154 0.000 2.218 430 K HA -0.200 4.125 4.320 0.010 0.000 0.205 430 K C 1.729 178.054 176.600 -0.458 0.000 1.046 430 K CA 1.527 57.633 56.287 -0.302 0.000 0.933 430 K CB -0.288 32.032 32.500 -0.299 0.000 0.728 430 K HN 0.588 nan 8.250 nan 0.000 0.454 431 R N 0.345 120.693 120.500 -0.252 0.000 2.148 431 R HA -0.039 4.306 4.340 0.010 0.000 0.227 431 R C 2.070 178.316 176.300 -0.090 0.000 1.103 431 R CA 0.838 56.856 56.100 -0.136 0.000 0.983 431 R CB -0.609 29.672 30.300 -0.031 0.000 0.874 431 R HN -0.043 nan 8.270 nan 0.000 0.451 432 L N 0.713 121.826 121.223 -0.183 0.000 2.093 432 L HA -0.094 4.252 4.340 0.010 0.000 0.208 432 L C 0.288 177.162 176.870 0.007 0.000 1.085 432 L CA 1.362 56.131 54.840 -0.117 0.000 0.755 432 L CB -0.698 41.200 42.059 -0.269 0.000 0.904 432 L HN 0.372 nan 8.230 nan 0.000 0.435 433 H N -1.835 117.140 119.070 -0.159 0.000 2.680 433 H HA -0.257 4.305 4.556 0.009 0.000 0.328 433 H C -0.884 174.422 175.328 -0.035 0.000 1.139 433 H CA 0.591 56.484 56.048 -0.258 0.000 1.124 433 H CB -1.871 27.406 29.762 -0.808 0.000 1.584 433 H HN 0.339 nan 8.280 nan 0.000 0.410 434 Y N -0.349 119.902 120.300 -0.083 0.000 2.520 434 Y HA 0.523 5.078 4.550 0.009 0.000 0.339 434 Y C -0.061 175.784 175.900 -0.093 0.000 1.113 434 Y CA 0.363 58.434 58.100 -0.049 0.000 1.255 434 Y CB 0.278 38.746 38.460 0.013 0.000 1.099 434 Y HN 0.434 nan 8.280 nan 0.000 0.628 435 A N 2.485 125.208 122.820 -0.162 0.000 1.485 435 A HA 0.094 4.420 4.320 0.010 0.000 0.211 435 A C 0.035 177.614 177.584 -0.008 0.000 1.759 435 A CA -0.073 51.873 52.037 -0.152 0.000 1.385 435 A CB -0.100 18.825 19.000 -0.126 0.000 1.293 435 A HN 0.378 nan 8.150 nan 0.000 0.400 436 N N 2.658 121.433 118.700 0.125 0.000 2.543 436 N HA 0.195 4.941 4.740 0.010 0.000 0.289 436 N C -0.758 174.751 175.510 -0.002 0.000 1.223 436 N CA 0.493 53.621 53.050 0.131 0.000 1.080 436 N CB -0.563 37.959 38.487 0.057 0.000 1.450 436 N HN 0.446 nan 8.380 nan 0.000 0.501 437 N N 1.037 119.727 118.700 -0.016 0.000 3.134 437 N HA 0.022 4.768 4.740 0.010 0.000 0.235 437 N C 0.387 175.847 175.510 -0.083 0.000 1.092 437 N CA -0.411 52.588 53.050 -0.085 0.000 1.038 437 N CB 0.840 39.238 38.487 -0.148 0.000 1.684 437 N HN 0.513 nan 8.380 nan 0.000 0.551 438 R N 1.900 122.335 120.500 -0.108 0.000 2.189 438 R HA 0.051 4.397 4.340 0.010 0.000 0.223 438 R C 0.995 177.217 176.300 -0.130 0.000 1.092 438 R CA 1.147 57.176 56.100 -0.119 0.000 0.989 438 R CB -0.044 30.152 30.300 -0.173 0.000 0.876 438 R HN 0.405 nan 8.270 nan 0.000 0.457 439 R N 0.669 121.081 120.500 -0.147 0.000 2.275 439 R HA 0.213 4.559 4.340 0.010 0.000 0.199 439 R C 0.149 176.401 176.300 -0.080 0.000 0.989 439 R CA 0.302 56.334 56.100 -0.113 0.000 1.016 439 R CB 0.052 30.288 30.300 -0.108 0.000 0.918 439 R HN 0.226 nan 8.270 nan 0.000 0.473 440 I N 2.067 122.561 120.570 -0.126 0.000 2.312 440 I HA 0.066 4.242 4.170 0.010 0.000 0.291 440 I C -0.142 175.949 176.117 -0.043 0.000 1.031 440 I CA -0.534 60.679 61.300 -0.144 0.000 1.293 440 I CB 1.164 38.943 38.000 -0.368 0.000 1.403 440 I HN -0.107 nan 8.210 nan 0.000 0.484 441 E N 4.734 124.961 120.200 0.044 0.000 2.392 441 E HA -0.002 4.354 4.350 0.010 0.000 0.264 441 E C 0.530 177.179 176.600 0.081 0.000 1.024 441 E CA -0.030 56.417 56.400 0.078 0.000 0.903 441 E CB 0.601 30.368 29.700 0.112 0.000 0.963 441 E HN 0.413 nan 8.360 nan 0.000 0.432 442 D N 1.658 122.095 120.400 0.063 0.000 2.097 442 D HA -0.110 4.535 4.640 0.010 0.000 0.195 442 D C 0.403 176.769 176.300 0.109 0.000 0.989 442 D CA 1.124 55.153 54.000 0.047 0.000 0.827 442 D CB -0.048 40.778 40.800 0.043 0.000 0.966 442 D HN 0.338 nan 8.370 nan 0.000 0.456 443 I N 0.761 121.414 120.570 0.138 0.000 2.379 443 I HA 0.097 4.273 4.170 0.010 0.000 0.290 443 I C 0.118 176.357 176.117 0.203 0.000 1.063 443 I CA 0.140 61.534 61.300 0.156 0.000 1.351 443 I CB 0.592 38.667 38.000 0.125 0.000 1.410 443 I HN -0.092 nan 8.210 nan 0.000 0.505 444 H N 6.231 125.391 119.070 0.151 0.000 2.690 444 H HA 0.772 5.338 4.556 0.016 0.000 0.368 444 H C -1.355 174.100 175.328 0.212 0.000 1.150 444 H CA -0.661 55.494 56.048 0.178 0.000 1.174 444 H CB 1.421 31.304 29.762 0.201 0.000 1.684 444 H HN 0.433 nan 8.280 nan 0.000 0.538 445 L N 5.184 126.301 121.223 -0.177 0.000 2.376 445 L HA 0.364 4.709 4.340 0.010 0.000 0.275 445 L C -0.915 176.010 176.870 0.092 0.000 0.987 445 L CA -0.599 54.268 54.840 0.046 0.000 0.828 445 L CB 1.868 43.897 42.059 -0.049 0.000 1.249 445 L HN 0.393 nan 8.230 nan 0.000 0.409 446 L N 4.107 125.506 121.223 0.293 0.000 2.265 446 L HA 0.455 4.801 4.340 0.010 0.000 0.288 446 L C -0.343 176.690 176.870 0.272 0.000 1.058 446 L CA -0.614 54.390 54.840 0.274 0.000 0.809 446 L CB 1.596 43.797 42.059 0.238 0.000 1.179 446 L HN 0.331 nan 8.230 nan 0.000 0.429 447 V N 2.543 122.634 119.914 0.295 0.000 2.427 447 V HA 0.199 4.325 4.120 0.010 0.000 0.286 447 V C -0.084 176.240 176.094 0.384 0.000 1.034 447 V CA -0.929 61.581 62.300 0.350 0.000 0.893 447 V CB 1.632 33.668 31.823 0.355 0.000 0.982 447 V HN 0.598 nan 8.190 nan 0.000 0.452 448 D N 2.853 123.420 120.400 0.279 0.000 2.400 448 D HA 0.142 4.788 4.640 0.010 0.000 0.238 448 D C 0.671 177.006 176.300 0.057 0.000 1.157 448 D CA -0.041 54.052 54.000 0.156 0.000 0.889 448 D CB 0.433 41.293 40.800 0.101 0.000 1.199 448 D HN 0.639 nan 8.370 nan 0.000 0.436 449 R N 0.771 121.155 120.500 -0.195 0.000 2.570 449 R HA 0.262 4.608 4.340 0.010 0.000 0.277 449 R C 0.100 176.275 176.300 -0.209 0.000 1.039 449 R CA -0.218 55.521 56.100 -0.601 0.000 1.065 449 R CB 0.533 30.592 30.300 -0.402 0.000 0.964 449 R HN 0.496 nan 8.270 nan 0.000 0.428 450 R N -0.709 119.604 120.500 -0.311 0.000 3.840 450 R HA -0.170 4.176 4.340 0.010 0.000 0.464 450 R C -1.086 175.167 176.300 -0.078 0.000 0.986 450 R CA 1.693 57.746 56.100 -0.078 0.000 1.305 450 R CB -1.622 28.642 30.300 -0.060 0.000 1.950 450 R HN 0.699 nan 8.270 nan 0.000 0.526 451 W N -0.240 121.079 121.300 0.031 0.000 2.655 451 W HA 0.584 5.244 4.660 0.000 0.000 0.358 451 W C 0.702 177.341 176.519 0.201 0.000 1.100 451 W CA -0.360 57.029 57.345 0.074 0.000 1.195 451 W CB 0.841 30.331 29.460 0.050 0.000 1.403 451 W HN 0.000 nan 8.180 nan 0.000 0.589 452 H N -0.275 119.000 119.070 0.341 0.000 2.797 452 H HA 0.672 5.268 4.556 0.067 0.000 0.372 452 H C -1.305 174.076 175.328 0.090 0.000 1.168 452 H CA -1.194 54.952 56.048 0.162 0.000 1.163 452 H CB 2.611 32.418 29.762 0.075 0.000 1.778 452 H HN 0.167 nan 8.280 nan 0.000 0.551 453 V N 1.818 121.773 119.914 0.069 0.000 2.588 453 V HA 0.771 4.897 4.120 0.010 0.000 0.304 453 V C -1.151 174.818 176.094 -0.208 0.000 1.042 453 V CA -0.176 62.045 62.300 -0.131 0.000 0.877 453 V CB 1.174 32.855 31.823 -0.235 0.000 0.996 453 V HN 0.873 nan 8.190 nan 0.000 0.425 454 A N 5.339 128.003 122.820 -0.260 0.000 2.479 454 A HA 0.731 5.057 4.320 0.010 0.000 0.296 454 A C 0.529 178.107 177.584 -0.010 0.000 1.121 454 A CA -0.476 51.471 52.037 -0.151 0.000 0.743 454 A CB 1.782 20.692 19.000 -0.151 0.000 1.323 454 A HN 0.908 nan 8.150 nan 0.000 0.415 455 R N 0.106 120.644 120.500 0.063 0.000 2.057 455 R HA 0.024 4.370 4.340 0.010 0.000 0.229 455 R C 0.213 176.643 176.300 0.216 0.000 1.136 455 R CA 2.096 58.256 56.100 0.099 0.000 0.952 455 R CB -0.108 30.225 30.300 0.054 0.000 0.848 455 R HN 0.767 nan 8.270 nan 0.000 0.430 456 K N -0.747 119.821 120.400 0.279 0.000 2.625 456 K HA 0.387 4.713 4.320 0.010 0.000 0.284 456 K C -2.940 173.761 176.600 0.168 0.000 0.984 456 K CA -1.636 54.782 56.287 0.218 0.000 0.865 456 K CB 1.438 33.980 32.500 0.070 0.000 1.468 456 K HN -0.169 nan 8.250 nan 0.000 0.407 471 Q N 1.497 121.329 119.800 0.053 0.000 2.103 471 Q HA 0.481 4.827 4.340 0.010 0.000 0.219 471 Q C -0.131 175.923 176.000 0.091 0.000 0.784 471 Q CA -0.089 55.702 55.803 -0.020 0.000 1.014 471 Q CB 2.040 30.762 28.738 -0.028 0.000 1.183 471 Q HN 1.042 nan 8.270 nan 0.000 0.469 472 G N -0.042 108.898 108.800 0.234 0.000 2.718 472 G HA2 0.528 4.494 3.960 0.010 0.000 0.295 472 G HA3 0.528 4.494 3.960 0.010 0.000 0.295 472 G C -2.011 173.029 174.900 0.233 0.000 1.421 472 G CA -0.143 45.056 45.100 0.165 0.000 0.902 472 G HN -0.055 nan 8.290 nan 0.000 0.501 473 D N -1.217 119.252 120.400 0.115 0.000 2.653 473 D HA 0.546 5.192 4.640 0.010 0.000 0.258 473 D C -1.003 175.318 176.300 0.035 0.000 1.252 473 D CA -0.404 53.629 54.000 0.054 0.000 0.777 473 D CB 1.863 42.706 40.800 0.071 0.000 1.339 473 D HN 0.736 nan 8.370 nan 0.000 0.422 474 H N -1.043 117.983 119.070 -0.074 0.000 2.985 474 H HA 0.741 5.310 4.556 0.021 0.000 0.360 474 H C 0.451 175.561 175.328 -0.364 0.000 1.221 474 H CA -0.433 55.510 56.048 -0.174 0.000 1.121 474 H CB 2.022 31.630 29.762 -0.257 0.000 1.854 474 H HN 0.617 nan 8.280 nan 0.000 0.551 475 G N -0.304 108.362 108.800 -0.222 0.000 2.559 475 G HA2 -0.147 3.819 3.960 0.010 0.000 0.202 475 G HA3 -0.147 3.819 3.960 0.010 0.000 0.202 475 G C -0.417 174.372 174.900 -0.186 0.000 0.992 475 G CA -0.361 44.588 45.100 -0.252 0.000 0.764 475 G HN 0.421 nan 8.290 nan 0.000 0.525 476 F N 1.470 121.501 119.950 0.135 0.000 2.188 476 F HA 0.501 5.035 4.527 0.011 0.000 0.279 476 F C 1.165 177.148 175.800 0.304 0.000 1.210 476 F CA -0.195 57.930 58.000 0.207 0.000 1.200 476 F CB 0.057 39.146 39.000 0.149 0.000 1.552 476 F HN -0.070 nan 8.300 nan 0.000 0.507 477 D N 1.138 121.799 120.400 0.435 0.000 2.472 477 D HA -0.099 4.547 4.640 0.010 0.000 0.237 477 D C 0.900 177.329 176.300 0.215 0.000 1.141 477 D CA -0.007 54.113 54.000 0.200 0.000 0.875 477 D CB 0.357 41.191 40.800 0.056 0.000 1.192 477 D HN 0.546 nan 8.370 nan 0.000 0.450 478 N N 3.010 121.817 118.700 0.179 0.000 2.550 478 N HA -0.200 4.546 4.740 0.010 0.000 0.186 478 N C 1.076 176.649 175.510 0.104 0.000 1.110 478 N CA 0.845 53.994 53.050 0.165 0.000 0.912 478 N CB -0.286 38.311 38.487 0.183 0.000 0.968 478 N HN 0.564 nan 8.380 nan 0.000 0.448 479 K N -0.437 120.004 120.400 0.068 0.000 2.404 479 K HA 0.188 4.514 4.320 0.010 0.000 0.194 479 K C -0.214 176.400 176.600 0.023 0.000 1.023 479 K CA -0.283 56.029 56.287 0.042 0.000 1.094 479 K CB 0.318 32.840 32.500 0.036 0.000 0.841 479 K HN -0.113 nan 8.250 nan 0.000 0.523 480 V N 3.315 123.253 119.914 0.041 0.000 2.529 480 V HA -0.081 4.045 4.120 0.010 0.000 0.292 480 V C 1.261 177.343 176.094 -0.020 0.000 1.028 480 V CA -0.024 62.286 62.300 0.017 0.000 1.074 480 V CB 0.645 32.493 31.823 0.040 0.000 0.958 480 V HN 0.432 nan 8.190 nan 0.000 0.481 481 N N 3.994 122.659 118.700 -0.058 0.000 2.137 481 N HA -0.184 4.562 4.740 0.010 0.000 0.190 481 N C 1.996 177.449 175.510 -0.095 0.000 1.017 481 N CA 1.999 54.981 53.050 -0.113 0.000 0.859 481 N CB -0.013 38.418 38.487 -0.094 0.000 1.002 481 N HN 0.810 nan 8.380 nan 0.000 0.428 482 S N -1.104 114.568 115.700 -0.047 0.000 2.453 482 S HA -0.027 4.449 4.470 0.010 0.000 0.231 482 S C 1.696 176.288 174.600 -0.014 0.000 1.005 482 S CA 0.561 58.734 58.200 -0.044 0.000 0.949 482 S CB -0.182 63.002 63.200 -0.025 0.000 0.774 482 S HN 0.217 nan 8.310 nan 0.000 0.510 483 M N 1.055 120.680 119.600 0.041 0.000 2.558 483 M HA 0.222 4.708 4.480 0.010 0.000 0.255 483 M C 0.233 176.577 176.300 0.074 0.000 1.113 483 M CA 0.492 55.854 55.300 0.104 0.000 1.097 483 M CB -0.902 31.805 32.600 0.178 0.000 1.426 483 M HN 0.327 nan 8.290 nan 0.000 0.488 484 Q N 0.774 120.580 119.800 0.010 0.000 2.395 484 Q HA 0.128 4.474 4.340 0.010 0.000 0.271 484 Q C 0.435 176.468 176.000 0.056 0.000 1.026 484 Q CA 0.555 56.374 55.803 0.027 0.000 0.900 484 Q CB 0.824 29.512 28.738 -0.083 0.000 1.266 484 Q HN 0.103 nan 8.270 nan 0.000 0.430 485 T N -0.280 114.332 114.554 0.098 0.000 2.804 485 T HA 0.654 5.009 4.350 0.010 0.000 0.272 485 T C -0.510 174.274 174.700 0.140 0.000 0.986 485 T CA -0.577 61.585 62.100 0.104 0.000 0.999 485 T CB 1.166 70.073 68.868 0.065 0.000 1.307 485 T HN 0.428 nan 8.240 nan 0.000 0.586 486 V N 0.215 120.212 119.914 0.139 0.000 2.975 486 V HA 0.918 5.044 4.120 0.010 0.000 0.318 486 V C -1.052 175.146 176.094 0.173 0.000 1.077 486 V CA -0.878 61.513 62.300 0.152 0.000 1.000 486 V CB 1.374 33.279 31.823 0.135 0.000 1.066 486 V HN 0.772 nan 8.190 nan 0.000 0.452 487 F N 1.543 121.525 119.950 0.054 0.000 2.623 487 F HA 0.759 5.292 4.527 0.009 0.000 0.323 487 F C -1.381 174.501 175.800 0.136 0.000 1.158 487 F CA -0.462 57.590 58.000 0.088 0.000 1.030 487 F CB 1.828 40.884 39.000 0.093 0.000 1.280 487 F HN 0.519 nan 8.300 nan 0.000 0.474 488 V N 4.532 124.018 119.914 -0.713 0.000 2.623 488 V HA 0.755 4.881 4.120 0.010 0.000 0.304 488 V C -0.272 175.280 176.094 -0.903 0.000 1.054 488 V CA -0.554 61.419 62.300 -0.546 0.000 0.882 488 V CB 1.925 33.622 31.823 -0.209 0.000 1.002 488 V HN 1.025 nan 8.190 nan 0.000 0.424 489 G N 3.218 111.480 108.800 -0.897 0.000 2.588 489 G HA2 0.564 4.530 3.960 0.010 0.000 0.312 489 G HA3 0.564 4.530 3.960 0.010 0.000 0.312 489 G C -1.629 172.793 174.900 -0.797 0.000 1.257 489 G CA -0.374 43.895 45.100 -1.386 0.000 0.994 489 G HN 0.593 nan 8.290 nan 0.000 0.498 490 Y N 2.515 122.545 120.300 -0.451 0.000 2.376 490 Y HA 0.717 5.273 4.550 0.010 0.000 0.340 490 Y C 0.379 176.381 175.900 0.171 0.000 0.965 490 Y CA 0.267 58.333 58.100 -0.056 0.000 1.078 490 Y CB 2.080 40.518 38.460 -0.036 0.000 1.193 490 Y HN 0.987 nan 8.280 nan 0.000 0.452 491 G N 5.098 113.753 108.800 -0.241 0.000 2.341 491 G HA2 0.083 4.049 3.960 0.010 0.000 0.293 491 G HA3 0.083 4.049 3.960 0.010 0.000 0.293 491 G C -2.859 171.994 174.900 -0.078 0.000 1.298 491 G CA -0.616 44.415 45.100 -0.115 0.000 0.868 491 G HN 0.302 nan 8.290 nan 0.000 0.540 492 P HA 0.115 nan 4.420 nan 0.000 0.231 492 P C 1.312 178.595 177.300 -0.028 0.000 1.168 492 P CA 1.465 64.537 63.100 -0.047 0.000 0.779 492 P CB 0.291 31.959 31.700 -0.053 0.000 0.844 493 T N -1.218 113.310 114.554 -0.044 0.000 3.031 493 T HA 0.112 4.468 4.350 0.010 0.000 0.254 493 T C 0.577 175.195 174.700 -0.137 0.000 1.060 493 T CA 0.316 62.340 62.100 -0.126 0.000 1.135 493 T CB -0.437 68.305 68.868 -0.211 0.000 0.896 493 T HN -0.087 nan 8.240 nan 0.000 0.472 494 F N 2.209 122.166 119.950 0.012 0.000 2.450 494 F HA 0.307 4.840 4.527 0.010 0.000 0.339 494 F C 1.035 176.863 175.800 0.047 0.000 1.146 494 F CA -0.730 57.292 58.000 0.038 0.000 1.267 494 F CB 0.427 39.461 39.000 0.057 0.000 1.178 494 F HN -0.276 nan 8.300 nan 0.000 0.585 495 K N 1.101 121.669 120.400 0.280 0.000 2.319 495 K HA 0.014 4.339 4.320 0.010 0.000 0.265 495 K C -0.999 175.739 176.600 0.231 0.000 1.000 495 K CA -0.249 56.161 56.287 0.205 0.000 0.943 495 K CB 0.431 33.028 32.500 0.162 0.000 0.950 495 K HN 0.538 nan 8.250 nan 0.000 0.485 496 Y N 2.333 122.681 120.300 0.081 0.000 2.350 496 Y HA 0.082 4.638 4.550 0.010 0.000 0.340 496 Y C 0.522 176.471 175.900 0.081 0.000 1.006 496 Y CA -0.185 57.959 58.100 0.073 0.000 1.166 496 Y CB 0.507 38.996 38.460 0.048 0.000 1.168 496 Y HN 0.700 nan 8.280 nan 0.000 0.502 497 R N 2.788 123.054 120.500 -0.390 0.000 3.416 497 R HA -0.180 4.166 4.340 0.010 0.000 0.263 497 R C -0.917 175.318 176.300 -0.108 0.000 1.053 497 R CA 1.132 57.023 56.100 -0.348 0.000 0.705 497 R CB -1.564 28.337 30.300 -0.665 0.000 1.124 497 R HN 0.886 nan 8.270 nan 0.000 0.444 498 T N -2.772 111.774 114.554 -0.013 0.000 2.932 498 T HA 0.564 4.920 4.350 0.010 0.000 0.289 498 T C -0.386 174.273 174.700 -0.069 0.000 1.039 498 T CA -1.028 61.071 62.100 -0.002 0.000 1.024 498 T CB 2.672 71.561 68.868 0.036 0.000 1.090 498 T HN 0.224 nan 8.240 nan 0.000 0.496 499 K N 1.521 121.842 120.400 -0.131 0.000 2.292 499 K HA 0.623 4.949 4.320 0.010 0.000 0.257 499 K C -0.791 175.743 176.600 -0.111 0.000 0.940 499 K CA -0.904 55.191 56.287 -0.320 0.000 0.811 499 K CB 1.695 34.027 32.500 -0.280 0.000 1.120 499 K HN 0.718 nan 8.250 nan 0.000 0.428 500 V N 1.103 120.980 119.914 -0.061 0.000 2.715 500 V HA 0.670 4.796 4.120 0.010 0.000 0.310 500 V C -2.494 173.648 176.094 0.080 0.000 1.054 500 V CA -2.346 60.008 62.300 0.090 0.000 0.928 500 V CB 1.153 33.117 31.823 0.235 0.000 1.007 500 V HN 0.729 nan 8.190 nan 0.000 0.437 501 P HA 0.334 nan 4.420 nan 0.000 0.272 501 P C -2.696 174.634 177.300 0.049 0.000 1.240 501 P CA -1.375 61.744 63.100 0.030 0.000 0.791 501 P CB -0.319 31.388 31.700 0.011 0.000 0.978 502 P HA 0.103 nan 4.420 nan 0.000 0.269 502 P C -0.696 176.571 177.300 -0.055 0.000 1.209 502 P CA 0.507 63.408 63.100 -0.332 0.000 0.776 502 P CB 0.090 31.161 31.700 -1.049 0.000 0.876 503 F N -1.580 118.281 119.950 -0.149 0.000 2.675 503 F HA 0.654 5.187 4.527 0.011 0.000 0.324 503 F C -0.401 175.368 175.800 -0.050 0.000 1.106 503 F CA -1.499 56.453 58.000 -0.080 0.000 0.970 503 F CB 1.158 40.111 39.000 -0.078 0.000 1.385 503 F HN 0.148 nan 8.300 nan 0.000 0.489 504 E N 0.927 121.229 120.200 0.171 0.000 2.277 504 E HA 0.146 4.502 4.350 0.010 0.000 0.274 504 E C 0.302 176.988 176.600 0.144 0.000 1.022 504 E CA -0.545 55.911 56.400 0.094 0.000 0.853 504 E CB 1.023 30.795 29.700 0.119 0.000 1.086 504 E HN 0.709 nan 8.360 nan 0.000 0.397 505 N N 3.472 122.212 118.700 0.067 0.000 2.443 505 N HA -0.174 4.572 4.740 0.010 0.000 0.184 505 N C 1.524 177.092 175.510 0.097 0.000 1.037 505 N CA 1.083 54.186 53.050 0.089 0.000 0.896 505 N CB -0.512 38.018 38.487 0.072 0.000 0.959 505 N HN 0.626 nan 8.380 nan 0.000 0.442 506 I N -2.511 118.096 120.570 0.061 0.000 2.756 506 I HA 0.050 4.226 4.170 0.010 0.000 0.262 506 I C 1.166 177.282 176.117 -0.002 0.000 1.225 506 I CA 1.003 62.290 61.300 -0.022 0.000 1.472 506 I CB -0.129 37.777 38.000 -0.156 0.000 1.094 506 I HN -0.160 nan 8.210 nan 0.000 0.454 507 E N 1.264 121.500 120.200 0.060 0.000 2.435 507 E HA 0.070 4.426 4.350 0.010 0.000 0.195 507 E C 2.171 178.777 176.600 0.010 0.000 1.029 507 E CA 0.468 56.887 56.400 0.031 0.000 0.865 507 E CB 0.091 29.811 29.700 0.034 0.000 0.833 507 E HN 0.586 nan 8.360 nan 0.000 0.510 508 L N 0.055 121.323 121.223 0.074 0.000 2.056 508 L HA -0.194 4.152 4.340 0.010 0.000 0.207 508 L C 2.455 179.374 176.870 0.080 0.000 1.078 508 L CA 1.063 55.954 54.840 0.084 0.000 0.749 508 L CB -0.379 41.779 42.059 0.166 0.000 0.901 508 L HN 0.121 nan 8.230 nan 0.000 0.433 509 Y N 1.000 121.271 120.300 -0.049 0.000 2.151 509 Y HA -0.347 4.209 4.550 0.010 0.000 0.284 509 Y C 2.418 178.239 175.900 -0.131 0.000 1.166 509 Y CA 1.940 59.985 58.100 -0.093 0.000 1.163 509 Y CB -0.263 38.111 38.460 -0.144 0.000 0.974 509 Y HN 0.266 nan 8.280 nan 0.000 0.511 510 N N -0.349 118.238 118.700 -0.188 0.000 2.244 510 N HA -0.139 4.606 4.740 0.010 0.000 0.183 510 N C 1.919 177.299 175.510 -0.217 0.000 1.016 510 N CA 1.502 54.340 53.050 -0.354 0.000 0.866 510 N CB -0.396 37.887 38.487 -0.340 0.000 0.980 510 N HN 0.329 nan 8.380 nan 0.000 0.430 511 V N 1.371 121.216 119.914 -0.116 0.000 2.323 511 V HA -0.120 4.006 4.120 0.010 0.000 0.244 511 V C 2.320 178.373 176.094 -0.068 0.000 1.041 511 V CA 1.212 63.470 62.300 -0.069 0.000 1.025 511 V CB -0.380 31.419 31.823 -0.041 0.000 0.656 511 V HN 0.235 nan 8.190 nan 0.000 0.451 512 M N -1.009 118.559 119.600 -0.054 0.000 2.159 512 M HA -0.218 4.268 4.480 0.010 0.000 0.263 512 M C 2.380 178.606 176.300 -0.122 0.000 1.063 512 M CA 1.704 56.984 55.300 -0.032 0.000 1.110 512 M CB -0.699 31.917 32.600 0.027 0.000 1.374 512 M HN 0.409 nan 8.290 nan 0.000 0.411 513 C N 0.524 119.662 119.300 -0.269 0.000 2.446 513 C HA -0.138 4.328 4.460 0.010 0.000 0.277 513 C C 2.210 177.103 174.990 -0.161 0.000 1.275 513 C CA 0.925 59.763 59.018 -0.299 0.000 1.727 513 C CB -0.915 26.519 27.740 -0.509 0.000 2.010 513 C HN 0.526 nan 8.230 nan 0.000 0.486 514 D N 0.454 120.784 120.400 -0.117 0.000 2.183 514 D HA -0.031 4.615 4.640 0.010 0.000 0.203 514 D C 2.000 178.266 176.300 -0.057 0.000 0.969 514 D CA 0.808 54.781 54.000 -0.046 0.000 0.842 514 D CB -0.341 40.461 40.800 0.004 0.000 0.957 514 D HN 0.418 nan 8.370 nan 0.000 0.484 515 L N -0.194 120.984 121.223 -0.074 0.000 2.217 515 L HA -0.032 4.313 4.340 0.010 0.000 0.211 515 L C 1.919 178.769 176.870 -0.033 0.000 1.107 515 L CA 0.586 55.383 54.840 -0.071 0.000 0.783 515 L CB 0.108 42.128 42.059 -0.065 0.000 0.919 515 L HN 0.003 nan 8.230 nan 0.000 0.442 516 L N -1.273 119.930 121.223 -0.032 0.000 2.616 516 L HA 0.279 4.625 4.340 0.010 0.000 0.229 516 L C 1.059 177.913 176.870 -0.026 0.000 1.110 516 L CA 0.299 55.127 54.840 -0.020 0.000 0.884 516 L CB 0.199 42.246 42.059 -0.020 0.000 1.115 516 L HN 0.286 nan 8.230 nan 0.000 0.481 517 G N 1.312 110.092 108.800 -0.033 0.000 2.289 517 G HA2 -0.244 3.722 3.960 0.010 0.000 0.280 517 G HA3 -0.244 3.722 3.960 0.010 0.000 0.280 517 G C -0.353 174.527 174.900 -0.032 0.000 1.089 517 G CA -0.075 45.011 45.100 -0.023 0.000 0.939 517 G HN 0.184 nan 8.290 nan 0.000 0.499 518 L N -0.890 120.297 121.223 -0.060 0.000 2.319 518 L HA 0.625 4.971 4.340 0.010 0.000 0.267 518 L C 0.637 177.453 176.870 -0.090 0.000 1.011 518 L CA -1.148 53.645 54.840 -0.077 0.000 0.818 518 L CB 1.933 43.926 42.059 -0.110 0.000 1.316 518 L HN 0.102 nan 8.230 nan 0.000 0.432 519 K N 3.589 123.944 120.400 -0.075 0.000 2.267 519 K HA 0.339 4.665 4.320 0.010 0.000 0.282 519 K C -2.329 174.201 176.600 -0.117 0.000 1.078 519 K CA -1.596 54.647 56.287 -0.073 0.000 0.903 519 K CB 0.928 33.411 32.500 -0.028 0.000 1.111 519 K HN 0.245 nan 8.250 nan 0.000 0.475 520 P HA 0.040 nan 4.420 nan 0.000 0.271 520 P C -0.771 176.509 177.300 -0.034 0.000 1.218 520 P CA -0.320 62.671 63.100 -0.182 0.000 0.780 520 P CB 0.995 32.481 31.700 -0.357 0.000 0.901 521 A N 4.104 126.978 122.820 0.091 0.000 2.332 521 A HA 0.445 4.771 4.320 0.010 0.000 0.258 521 A C -2.068 175.515 177.584 -0.001 0.000 1.087 521 A CA -1.451 50.603 52.037 0.028 0.000 0.802 521 A CB -1.376 17.626 19.000 0.002 0.000 1.042 521 A HN 0.406 nan 8.150 nan 0.000 0.489 522 P HA 0.101 nan 4.420 nan 0.000 0.260 522 P C -0.822 176.426 177.300 -0.086 0.000 1.207 522 P CA 0.461 63.532 63.100 -0.050 0.000 0.780 522 P CB -0.078 31.599 31.700 -0.040 0.000 0.789 523 N N 1.072 119.717 118.700 -0.092 0.000 2.545 523 N HA 0.292 5.038 4.740 0.010 0.000 0.289 523 N C -0.264 175.163 175.510 -0.138 0.000 1.279 523 N CA -1.056 51.906 53.050 -0.146 0.000 0.824 523 N CB 0.695 39.089 38.487 -0.156 0.000 1.395 523 N HN -0.013 nan 8.380 nan 0.000 0.526 524 N N -2.010 116.562 118.700 -0.214 0.000 2.313 524 N HA 0.205 4.951 4.740 0.010 0.000 0.207 524 N C -0.260 175.140 175.510 -0.183 0.000 1.141 524 N CA -0.441 52.456 53.050 -0.255 0.000 0.830 524 N CB 0.433 38.574 38.487 -0.577 0.000 1.008 524 N HN 0.597 nan 8.380 nan 0.000 0.481 525 G N -0.600 108.135 108.800 -0.108 0.000 2.434 525 G HA2 0.297 4.263 3.960 0.010 0.000 0.330 525 G HA3 0.297 4.263 3.960 0.010 0.000 0.330 525 G C -0.451 174.455 174.900 0.011 0.000 1.155 525 G CA -0.379 44.693 45.100 -0.046 0.000 0.917 525 G HN -0.023 nan 8.290 nan 0.000 0.493 526 T N 0.951 115.531 114.554 0.044 0.000 2.811 526 T HA 0.178 4.534 4.350 0.010 0.000 0.309 526 T C 0.141 174.907 174.700 0.111 0.000 1.005 526 T CA -0.079 62.070 62.100 0.082 0.000 0.955 526 T CB -0.149 68.762 68.868 0.072 0.000 0.970 526 T HN 0.537 nan 8.240 nan 0.000 0.496 527 H N 2.165 121.226 119.070 -0.015 0.000 3.145 527 H HA 0.328 4.890 4.556 0.010 0.000 0.263 527 H C 1.372 176.792 175.328 0.153 0.000 1.057 527 H CA 0.712 56.717 56.048 -0.073 0.000 1.477 527 H CB -0.068 29.474 29.762 -0.367 0.000 1.529 527 H HN 1.029 nan 8.280 nan 0.000 0.508 528 G N 2.513 111.409 108.800 0.160 0.000 2.255 528 G HA2 -0.332 3.634 3.960 0.010 0.000 0.196 528 G HA3 -0.332 3.634 3.960 0.010 0.000 0.196 528 G C 1.252 176.173 174.900 0.036 0.000 0.998 528 G CA 0.263 45.431 45.100 0.113 0.000 0.656 528 G HN 0.629 nan 8.290 nan 0.000 0.490 529 S N -0.162 115.555 115.700 0.029 0.000 2.515 529 S HA 0.289 4.764 4.470 0.010 0.000 0.231 529 S C 1.562 176.172 174.600 0.015 0.000 0.987 529 S CA 1.066 59.280 58.200 0.022 0.000 0.936 529 S CB -0.067 63.147 63.200 0.024 0.000 0.766 529 S HN 0.483 nan 8.310 nan 0.000 0.528 530 L N 1.001 122.159 121.223 -0.109 0.000 3.110 530 L HA 0.400 4.746 4.340 0.010 0.000 0.266 530 L C 0.709 177.365 176.870 -0.355 0.000 1.257 530 L CA -0.251 54.368 54.840 -0.370 0.000 1.038 530 L CB -0.077 41.711 42.059 -0.451 0.000 1.395 530 L HN 0.116 nan 8.230 nan 0.000 0.566 531 N N 0.102 118.711 118.700 -0.151 0.000 2.396 531 N HA -0.139 4.607 4.740 0.010 0.000 0.180 531 N C 1.861 177.328 175.510 -0.071 0.000 1.028 531 N CA 0.839 53.841 53.050 -0.080 0.000 0.893 531 N CB -0.055 38.429 38.487 -0.005 0.000 0.967 531 N HN 0.491 nan 8.380 nan 0.000 0.440 532 H N -1.182 117.869 119.070 -0.033 0.000 2.546 532 H HA 0.072 4.634 4.556 0.009 0.000 0.277 532 H C 1.517 176.854 175.328 0.015 0.000 1.004 532 H CA 0.388 56.428 56.048 -0.014 0.000 1.231 532 H CB -0.225 29.523 29.762 -0.024 0.000 1.382 532 H HN 0.127 nan 8.280 nan 0.000 0.580 533 L N 0.690 121.742 121.223 -0.286 0.000 2.131 533 L HA 0.104 4.450 4.340 0.010 0.000 0.206 533 L C 0.870 177.796 176.870 0.093 0.000 1.087 533 L CA 0.719 55.521 54.840 -0.063 0.000 0.767 533 L CB 0.005 41.998 42.059 -0.109 0.000 0.917 533 L HN 0.113 nan 8.230 nan 0.000 0.441 534 L N -1.229 119.984 121.223 -0.017 0.000 2.344 534 L HA 0.315 4.661 4.340 0.010 0.000 0.272 534 L C 1.485 178.350 176.870 -0.008 0.000 1.035 534 L CA -0.419 54.391 54.840 -0.051 0.000 0.807 534 L CB 1.258 43.221 42.059 -0.159 0.000 1.237 534 L HN 0.078 nan 8.230 nan 0.000 0.442 535 R N -0.468 120.031 120.500 -0.000 0.000 2.119 535 R HA 0.004 4.350 4.340 0.010 0.000 0.222 535 R C 0.579 176.874 176.300 -0.009 0.000 1.088 535 R CA 0.750 56.858 56.100 0.014 0.000 0.984 535 R CB -0.045 30.274 30.300 0.032 0.000 0.884 535 R HN 0.525 nan 8.270 nan 0.000 0.447 536 T N 1.009 115.544 114.554 -0.033 0.000 2.977 536 T HA 0.321 4.677 4.350 0.010 0.000 0.346 536 T C -1.346 173.328 174.700 -0.043 0.000 1.140 536 T CA -0.887 61.193 62.100 -0.034 0.000 1.040 536 T CB 0.365 69.215 68.868 -0.031 0.000 1.046 536 T HN 0.323 nan 8.240 nan 0.000 0.494 537 N N 2.538 121.219 118.700 -0.032 0.000 2.529 537 N HA 0.299 5.045 4.740 0.010 0.000 0.278 537 N C 1.068 176.569 175.510 -0.015 0.000 1.146 537 N CA -0.369 52.664 53.050 -0.027 0.000 0.980 537 N CB 1.228 39.702 38.487 -0.023 0.000 1.124 537 N HN 0.430 nan 8.380 nan 0.000 0.458 538 T N 0.676 115.235 114.554 0.008 0.000 2.990 538 T HA 0.170 4.525 4.350 0.010 0.000 0.249 538 T C -0.575 174.170 174.700 0.075 0.000 1.039 538 T CA -0.048 62.070 62.100 0.030 0.000 1.036 538 T CB -0.074 68.812 68.868 0.030 0.000 0.994 538 T HN 0.413 nan 8.240 nan 0.000 0.489 539 F N 2.287 122.173 119.950 -0.107 0.000 2.458 539 F HA 0.724 5.257 4.527 0.010 0.000 0.336 539 F C -0.386 175.323 175.800 -0.152 0.000 1.114 539 F CA -1.363 56.537 58.000 -0.167 0.000 0.987 539 F CB 1.177 39.953 39.000 -0.372 0.000 1.130 539 F HN -0.224 nan 8.300 nan 0.000 0.458 540 R N 6.972 126.987 120.500 -0.809 0.000 2.310 540 R HA 0.530 4.876 4.340 0.010 0.000 0.324 540 R C -2.794 172.982 176.300 -0.874 0.000 0.955 540 R CA -2.092 53.650 56.100 -0.597 0.000 0.830 540 R CB 1.014 31.123 30.300 -0.317 0.000 1.154 540 R HN 0.355 nan 8.270 nan 0.000 0.458 541 P HA 0.278 nan 4.420 nan 0.000 0.277 541 P C -1.127 176.193 177.300 0.032 0.000 1.240 541 P CA -0.451 62.554 63.100 -0.159 0.000 0.798 541 P CB 1.465 33.284 31.700 0.198 0.000 0.979 542 T N -1.459 113.120 114.554 0.041 0.000 2.907 542 T HA 0.612 4.968 4.350 0.010 0.000 0.292 542 T C 0.109 174.718 174.700 -0.152 0.000 1.043 542 T CA -0.981 61.041 62.100 -0.129 0.000 1.003 542 T CB 0.868 69.675 68.868 -0.102 0.000 1.084 542 T HN 0.182 nan 8.240 nan 0.000 0.483 543 M N 3.069 122.446 119.600 -0.371 0.000 2.217 543 M HA 0.294 4.780 4.480 0.010 0.000 0.354 543 M C -1.867 174.398 176.300 -0.058 0.000 1.225 543 M CA -1.617 53.535 55.300 -0.246 0.000 1.137 543 M CB 0.555 32.972 32.600 -0.304 0.000 1.576 543 M HN 0.564 nan 8.290 nan 0.000 0.461 544 P HA 0.144 nan 4.420 nan 0.000 0.275 544 P C -1.179 176.129 177.300 0.012 0.000 1.227 544 P CA -0.230 62.889 63.100 0.032 0.000 0.781 544 P CB 0.527 32.264 31.700 0.061 0.000 0.906 545 D N 1.284 121.693 120.400 0.016 0.000 2.382 545 D HA 0.035 4.680 4.640 0.010 0.000 0.245 545 D C 0.319 176.631 176.300 0.021 0.000 1.120 545 D CA 0.210 54.218 54.000 0.014 0.000 0.890 545 D CB 1.239 42.048 40.800 0.016 0.000 1.201 545 D HN 0.465 nan 8.370 nan 0.000 0.433 546 E N 1.224 121.437 120.200 0.022 0.000 2.290 546 E HA 0.092 4.448 4.350 0.010 0.000 0.277 546 E C 0.496 177.116 176.600 0.033 0.000 1.035 546 E CA -0.520 55.898 56.400 0.029 0.000 0.873 546 E CB 1.034 30.760 29.700 0.043 0.000 1.029 546 E HN 0.134 nan 8.360 nan 0.000 0.419 547 V N 2.905 122.837 119.914 0.030 0.000 2.374 547 V HA -0.047 4.078 4.120 0.010 0.000 0.241 547 V C 0.511 176.624 176.094 0.032 0.000 1.034 547 V CA 0.836 63.155 62.300 0.031 0.000 1.037 547 V CB 0.345 32.189 31.823 0.035 0.000 0.682 547 V HN 0.502 nan 8.190 nan 0.000 0.463 548 S N 0.287 116.008 115.700 0.035 0.000 2.462 548 S HA 0.556 5.032 4.470 0.010 0.000 0.294 548 S C -0.184 174.499 174.600 0.138 0.000 1.144 548 S CA -0.483 57.761 58.200 0.075 0.000 1.088 548 S CB 1.249 64.494 63.200 0.076 0.000 1.009 548 S HN 0.310 nan 8.310 nan 0.000 0.484 549 R N 2.728 123.258 120.500 0.050 0.000 2.428 549 R HA 0.496 4.842 4.340 0.010 0.000 0.294 549 R C -2.316 173.856 176.300 -0.213 0.000 1.000 549 R CA -1.613 54.481 56.100 -0.009 0.000 0.960 549 R CB 0.613 30.913 30.300 0.001 0.000 1.076 549 R HN 0.395 nan 8.270 nan 0.000 0.475 550 P HA 0.256 nan 4.420 nan 0.000 0.280 550 P C -1.238 175.712 177.300 -0.583 0.000 1.272 550 P CA -0.775 61.840 63.100 -0.807 0.000 0.819 550 P CB 0.848 31.983 31.700 -0.942 0.000 1.122 551 N N -0.959 117.372 118.700 -0.615 0.000 2.443 551 N HA 0.396 5.142 4.740 0.010 0.000 0.293 551 N C -1.157 174.020 175.510 -0.555 0.000 1.159 551 N CA -0.406 52.400 53.050 -0.407 0.000 0.904 551 N CB 0.771 39.115 38.487 -0.238 0.000 1.214 551 N HN 0.366 nan 8.380 nan 0.000 0.513 552 Y N 0.266 120.538 120.300 -0.046 0.000 2.863 552 Y HA 0.373 4.929 4.550 0.010 0.000 0.348 552 Y C -2.039 173.858 175.900 -0.005 0.000 1.028 552 Y CA -1.827 56.271 58.100 -0.003 0.000 1.213 552 Y CB 0.090 38.581 38.460 0.052 0.000 1.120 552 Y HN 0.402 nan 8.280 nan 0.000 0.598 553 P HA 0.363 nan 4.420 nan 0.000 0.277 553 P C 0.590 177.916 177.300 0.043 0.000 1.240 553 P CA -0.261 62.859 63.100 0.033 0.000 0.798 553 P CB 1.695 33.389 31.700 -0.010 0.000 0.979 554 G N 0.804 109.623 108.800 0.031 0.000 2.992 554 G HA2 0.490 4.456 3.960 0.010 0.000 0.195 554 G HA3 0.490 4.456 3.960 0.010 0.000 0.195 554 G C -0.397 174.509 174.900 0.010 0.000 2.032 554 G CA -0.379 44.735 45.100 0.023 0.000 0.831 554 G HN 0.468 nan 8.290 nan 0.000 0.647 555 I N 0.652 121.227 120.570 0.009 0.000 2.828 555 I HA 0.551 4.727 4.170 0.010 0.000 0.302 555 I C -0.103 176.021 176.117 0.012 0.000 1.101 555 I CA -0.674 60.630 61.300 0.007 0.000 1.031 555 I CB 2.444 40.447 38.000 0.004 0.000 1.231 555 I HN 0.599 nan 8.210 nan 0.000 0.427 564 L N 2.739 123.978 121.223 0.027 0.000 2.828 564 L HA 0.822 5.168 4.340 0.010 0.000 0.233 564 L C 1.503 178.388 176.870 0.025 0.000 1.250 564 L CA -0.012 54.842 54.840 0.022 0.000 1.125 564 L CB 0.454 42.526 42.059 0.021 0.000 1.432 564 L HN 0.709 nan 8.230 nan 0.000 0.444 565 G N -1.235 107.580 108.800 0.025 0.000 2.195 565 G HA2 -0.257 3.709 3.960 0.010 0.000 0.246 565 G HA3 -0.257 3.709 3.960 0.010 0.000 0.246 565 G C 0.318 175.237 174.900 0.031 0.000 0.984 565 G CA -0.088 45.029 45.100 0.028 0.000 0.633 565 G HN 0.542 nan 8.290 nan 0.000 0.525 566 c N 2.118 120.736 118.600 0.029 0.000 2.401 566 c HA 0.830 5.405 4.570 0.010 0.000 0.365 566 c C 0.801 174.910 174.090 0.032 0.000 1.250 566 c CA 0.385 56.729 56.329 0.026 0.000 2.131 566 c CB 0.509 43.033 42.510 0.024 0.000 2.445 566 c HN 0.861 nan 8.230 nan 0.000 0.550 567 T N -0.548 114.025 114.554 0.031 0.000 2.906 567 T HA 0.707 5.063 4.350 0.010 0.000 0.295 567 T C -0.988 173.728 174.700 0.027 0.000 1.075 567 T CA -0.698 61.421 62.100 0.032 0.000 1.005 567 T CB 1.551 70.438 68.868 0.031 0.000 1.136 567 T HN 0.887 nan 8.240 nan 0.000 0.498 568 c N 2.228 120.848 118.600 0.033 0.000 2.871 568 c HA 0.608 5.183 4.570 0.010 0.000 0.378 568 c C -1.388 172.740 174.090 0.063 0.000 1.052 568 c CA -0.471 55.874 56.329 0.027 0.000 1.250 568 c CB 0.372 42.907 42.510 0.041 0.000 1.689 568 c HN 1.028 nan 8.230 nan 0.000 0.506 592 E N 0.753 120.977 120.200 0.041 0.000 2.479 592 E HA 0.025 4.380 4.350 0.010 0.000 0.193 592 E C 1.443 178.141 176.600 0.164 0.000 1.049 592 E CA 0.291 56.784 56.400 0.155 0.000 0.870 592 E CB 0.332 30.124 29.700 0.153 0.000 0.944 592 E HN 0.907 nan 8.360 nan 0.000 0.492 593 E N 0.278 120.522 120.200 0.074 0.000 2.479 593 E HA -0.032 4.323 4.350 0.010 0.000 0.193 593 E C 1.731 178.332 176.600 0.001 0.000 1.049 593 E CA 0.022 56.455 56.400 0.056 0.000 0.870 593 E CB 0.099 29.819 29.700 0.033 0.000 0.944 593 E HN -0.080 nan 8.360 nan 0.000 0.492 594 R N 0.670 121.145 120.500 -0.042 0.000 2.140 594 R HA -0.003 4.343 4.340 0.010 0.000 0.213 594 R C 1.693 177.892 176.300 -0.168 0.000 1.059 594 R CA 1.210 57.225 56.100 -0.142 0.000 1.000 594 R CB -0.235 29.932 30.300 -0.222 0.000 0.910 594 R HN 0.171 nan 8.270 nan 0.000 0.455 595 H N -0.539 118.595 119.070 0.107 0.000 2.497 595 H HA 0.216 4.778 4.556 0.010 0.000 0.282 595 H C 0.021 175.435 175.328 0.142 0.000 1.003 595 H CA 0.646 56.791 56.048 0.162 0.000 1.307 595 H CB 0.469 30.369 29.762 0.229 0.000 1.437 595 H HN 0.107 nan 8.280 nan 0.000 0.544 596 L N 2.081 123.429 121.223 0.208 0.000 2.435 596 L HA 0.166 4.512 4.340 0.010 0.000 0.253 596 L C 0.780 177.639 176.870 -0.019 0.000 1.087 596 L CA -0.179 54.737 54.840 0.127 0.000 0.950 596 L CB 0.997 43.174 42.059 0.197 0.000 1.304 596 L HN 0.022 nan 8.230 nan 0.000 0.453 597 L N 1.626 122.711 121.223 -0.230 0.000 2.217 597 L HA -0.101 4.244 4.340 0.010 0.000 0.211 597 L C 0.758 177.355 176.870 -0.456 0.000 1.107 597 L CA 1.330 55.892 54.840 -0.463 0.000 0.783 597 L CB -0.180 41.402 42.059 -0.795 0.000 0.919 597 L HN 0.576 nan 8.230 nan 0.000 0.442 598 Y N -0.336 120.036 120.300 0.120 0.000 2.636 598 Y HA 0.574 5.130 4.550 0.010 0.000 0.260 598 Y C 1.090 177.058 175.900 0.113 0.000 1.177 598 Y CA -0.468 57.724 58.100 0.153 0.000 1.209 598 Y CB -0.145 38.487 38.460 0.287 0.000 1.166 598 Y HN 0.054 nan 8.280 nan 0.000 0.531 599 G N 1.789 110.677 108.800 0.148 0.000 2.705 599 G HA2 -0.204 3.762 3.960 0.010 0.000 0.686 599 G HA3 -0.204 3.762 3.960 0.010 0.000 0.686 599 G C -0.467 174.468 174.900 0.059 0.000 1.285 599 G CA -0.869 44.298 45.100 0.112 0.000 0.800 599 G HN 0.583 nan 8.290 nan 0.000 0.611 600 R N 1.776 122.301 120.500 0.043 0.000 2.537 600 R HA 0.553 4.898 4.340 0.010 0.000 0.280 600 R C -2.023 174.181 176.300 -0.160 0.000 1.058 600 R CA -0.813 55.245 56.100 -0.069 0.000 1.057 600 R CB 0.481 30.845 30.300 0.107 0.000 0.973 600 R HN 0.442 nan 8.270 nan 0.000 0.438 601 P HA 0.104 nan 4.420 nan 0.000 0.275 601 P C -0.907 176.256 177.300 -0.229 0.000 1.227 601 P CA -0.364 62.504 63.100 -0.387 0.000 0.781 601 P CB 1.315 32.629 31.700 -0.644 0.000 0.906 602 A N 3.169 125.889 122.820 -0.167 0.000 2.316 602 A HA 0.434 4.760 4.320 0.010 0.000 0.284 602 A C -0.136 177.383 177.584 -0.109 0.000 1.115 602 A CA -0.587 51.410 52.037 -0.067 0.000 0.812 602 A CB 0.437 19.417 19.000 -0.034 0.000 1.064 602 A HN 0.383 nan 8.150 nan 0.000 0.489 603 V N 3.431 123.299 119.914 -0.075 0.000 2.383 603 V HA 0.156 4.282 4.120 0.010 0.000 0.275 603 V C 0.634 176.672 176.094 -0.093 0.000 1.036 603 V CA 0.045 62.245 62.300 -0.167 0.000 0.889 603 V CB 0.996 32.596 31.823 -0.371 0.000 0.985 603 V HN 0.803 nan 8.190 nan 0.000 0.459 604 L N 6.105 127.323 121.223 -0.009 0.000 2.629 604 L HA 0.281 4.627 4.340 0.010 0.000 0.230 604 L C 0.112 177.084 176.870 0.171 0.000 1.151 604 L CA 0.101 54.987 54.840 0.077 0.000 0.924 604 L CB -0.544 41.570 42.059 0.093 0.000 1.137 604 L HN 0.796 nan 8.230 nan 0.000 0.457 605 Y N -3.292 117.028 120.300 0.034 0.000 2.609 605 Y HA 0.598 5.154 4.550 0.010 0.000 0.342 605 Y C -0.161 175.777 175.900 0.063 0.000 1.058 605 Y CA -1.882 56.247 58.100 0.047 0.000 1.055 605 Y CB 0.752 39.242 38.460 0.050 0.000 1.292 605 Y HN -0.247 nan 8.280 nan 0.000 0.476 606 R N 2.048 122.660 120.500 0.186 0.000 2.343 606 R HA 0.419 4.765 4.340 0.010 0.000 0.326 606 R C -0.581 175.789 176.300 0.117 0.000 1.055 606 R CA 0.369 56.529 56.100 0.100 0.000 0.961 606 R CB 0.617 30.979 30.300 0.104 0.000 0.978 606 R HN 0.913 nan 8.270 nan 0.000 0.443 607 T N 0.215 114.778 114.554 0.015 0.000 2.665 607 T HA 0.310 4.666 4.350 0.010 0.000 0.303 607 T C -1.514 173.218 174.700 0.053 0.000 1.334 607 T CA -0.673 61.456 62.100 0.048 0.000 1.011 607 T CB 1.454 70.339 68.868 0.029 0.000 1.573 607 T HN 0.471 nan 8.240 nan 0.000 0.492 608 S N 1.942 117.681 115.700 0.066 0.000 2.774 608 S HA 0.722 5.198 4.470 0.010 0.000 0.297 608 S C -0.958 173.694 174.600 0.087 0.000 1.143 608 S CA -0.706 57.510 58.200 0.027 0.000 1.090 608 S CB 0.246 63.409 63.200 -0.061 0.000 1.019 608 S HN 0.885 nan 8.310 nan 0.000 0.482 609 Y N -0.037 120.218 120.300 -0.075 0.000 2.634 609 Y HA 0.864 5.420 4.550 0.010 0.000 0.340 609 Y C -1.367 174.486 175.900 -0.078 0.000 1.058 609 Y CA -1.033 57.033 58.100 -0.056 0.000 1.081 609 Y CB 1.598 40.037 38.460 -0.036 0.000 1.295 609 Y HN 0.608 nan 8.280 nan 0.000 0.487 610 D N 1.913 122.241 120.400 -0.119 0.000 2.857 610 D HA 0.289 4.935 4.640 0.010 0.000 0.227 610 D C -1.054 175.145 176.300 -0.168 0.000 1.192 610 D CA -0.438 53.401 54.000 -0.269 0.000 0.857 610 D CB 2.597 43.291 40.800 -0.176 0.000 1.645 610 D HN 0.489 nan 8.370 nan 0.000 0.482 611 I N 1.199 121.573 120.570 -0.326 0.000 2.474 611 I HA 0.295 4.471 4.170 0.010 0.000 0.287 611 I C 0.286 176.202 176.117 -0.336 0.000 1.048 611 I CA -0.446 60.672 61.300 -0.303 0.000 1.383 611 I CB 0.657 38.463 38.000 -0.324 0.000 1.412 611 I HN 0.343 nan 8.210 nan 0.000 0.531 612 L N 6.694 127.696 121.223 -0.367 0.000 2.386 612 L HA 0.454 4.800 4.340 0.010 0.000 0.271 612 L C -1.181 175.393 176.870 -0.494 0.000 0.993 612 L CA -0.820 53.819 54.840 -0.336 0.000 0.819 612 L CB 1.767 43.764 42.059 -0.102 0.000 1.294 612 L HN 0.341 nan 8.230 nan 0.000 0.414 613 Y N 0.572 120.697 120.300 -0.293 0.000 2.377 613 Y HA 0.584 5.140 4.550 0.010 0.000 0.339 613 Y C -0.245 175.218 175.900 -0.729 0.000 1.011 613 Y CA -0.623 57.288 58.100 -0.316 0.000 1.093 613 Y CB 1.520 39.894 38.460 -0.143 0.000 1.201 613 Y HN 0.478 nan 8.280 nan 0.000 0.455 614 H N -1.355 117.554 119.070 -0.269 0.000 2.961 614 H HA 0.295 4.857 4.556 0.010 0.000 0.371 614 H C 0.577 175.695 175.328 -0.350 0.000 1.190 614 H CA -0.770 54.974 56.048 -0.508 0.000 1.138 614 H CB 1.628 30.597 29.762 -1.321 0.000 1.816 614 H HN 0.581 nan 8.280 nan 0.000 0.551 615 T N -0.220 114.265 114.554 -0.115 0.000 2.849 615 T HA -0.131 4.225 4.350 0.010 0.000 0.270 615 T C 0.529 175.248 174.700 0.033 0.000 1.066 615 T CA 1.820 63.916 62.100 -0.006 0.000 1.130 615 T CB -0.038 68.841 68.868 0.019 0.000 0.864 615 T HN 0.644 nan 8.240 nan 0.000 0.481 616 D N -0.211 120.078 120.400 -0.185 0.000 2.449 616 D HA 0.238 4.884 4.640 0.010 0.000 0.210 616 D C 0.220 176.130 176.300 -0.650 0.000 1.094 616 D CA 0.114 53.979 54.000 -0.226 0.000 0.846 616 D CB 0.622 41.338 40.800 -0.140 0.000 1.003 616 D HN 0.536 nan 8.370 nan 0.000 0.504 617 F N -0.307 119.147 119.950 -0.826 0.000 2.741 617 F HA 0.623 5.156 4.527 0.010 0.000 0.313 617 F C -1.385 174.312 175.800 -0.171 0.000 1.153 617 F CA -1.224 56.404 58.000 -0.618 0.000 0.931 617 F CB 1.965 40.510 39.000 -0.758 0.000 1.335 617 F HN -0.382 nan 8.300 nan 0.000 0.460 618 E N 1.158 121.474 120.200 0.194 0.000 2.308 618 E HA 0.618 4.974 4.350 0.010 0.000 0.275 618 E C -1.629 175.109 176.600 0.230 0.000 0.890 618 E CA -0.677 55.849 56.400 0.210 0.000 0.754 618 E CB 2.422 32.307 29.700 0.309 0.000 1.207 618 E HN 0.925 nan 8.360 nan 0.000 0.426 619 S N 1.228 116.906 115.700 -0.037 0.000 2.697 619 S HA 0.805 5.281 4.470 0.010 0.000 0.289 619 S C -0.181 173.935 174.600 -0.806 0.000 1.149 619 S CA -0.687 57.275 58.200 -0.397 0.000 0.850 619 S CB 1.750 64.930 63.200 -0.035 0.000 1.151 619 S HN 0.472 nan 8.310 nan 0.000 0.491 620 G N 0.642 108.777 108.800 -1.108 0.000 4.160 620 G HA2 0.407 4.373 3.960 0.010 0.000 0.341 620 G HA3 0.407 4.373 3.960 0.010 0.000 0.341 620 G C -1.107 173.685 174.900 -0.181 0.000 1.510 620 G CA -0.505 44.200 45.100 -0.660 0.000 1.011 620 G HN 0.638 nan 8.290 nan 0.000 0.491 621 Y N 2.632 122.876 120.300 -0.093 0.000 2.605 621 Y HA 0.334 4.890 4.550 0.010 0.000 0.336 621 Y C 0.867 176.835 175.900 0.112 0.000 1.111 621 Y CA 0.256 58.370 58.100 0.022 0.000 1.422 621 Y CB 0.957 39.436 38.460 0.031 0.000 1.193 621 Y HN 0.338 nan 8.280 nan 0.000 0.526 622 S N 5.094 120.625 115.700 -0.281 0.000 2.430 622 S HA 0.155 4.631 4.470 0.010 0.000 0.289 622 S C 0.706 175.184 174.600 -0.202 0.000 1.143 622 S CA -0.604 57.546 58.200 -0.084 0.000 1.067 622 S CB 0.543 63.803 63.200 0.101 0.000 0.964 622 S HN 0.906 nan 8.310 nan 0.000 0.485 623 E N 3.966 124.152 120.200 -0.025 0.000 2.347 623 E HA -0.063 4.293 4.350 0.010 0.000 0.196 623 E C 1.287 177.936 176.600 0.083 0.000 1.008 623 E CA 0.603 57.029 56.400 0.043 0.000 0.852 623 E CB 0.062 29.681 29.700 -0.135 0.000 0.783 623 E HN 0.681 nan 8.360 nan 0.000 0.505 624 I N -0.167 120.397 120.570 -0.010 0.000 2.277 624 I HA -0.151 4.025 4.170 0.010 0.000 0.243 624 I C 1.594 177.533 176.117 -0.296 0.000 1.094 624 I CA 1.391 62.592 61.300 -0.165 0.000 1.393 624 I CB -0.714 37.118 38.000 -0.281 0.000 1.078 624 I HN 0.074 nan 8.210 nan 0.000 0.417 625 F N 0.598 120.552 119.950 0.006 0.000 2.727 625 F HA 0.297 4.830 4.527 0.010 0.000 0.302 625 F C 1.195 177.002 175.800 0.011 0.000 1.097 625 F CA -0.064 57.933 58.000 -0.005 0.000 1.330 625 F CB -0.316 38.667 39.000 -0.029 0.000 1.084 625 F HN -0.119 nan 8.300 nan 0.000 0.578 626 L N -0.044 121.226 121.223 0.080 0.000 4.001 626 L HA -0.282 4.064 4.340 0.010 0.000 0.413 626 L C -0.241 176.625 176.870 -0.007 0.000 1.185 626 L CA 0.477 55.360 54.840 0.071 0.000 0.963 626 L CB -2.352 39.822 42.059 0.191 0.000 1.976 626 L HN 0.418 nan 8.230 nan 0.000 0.939 627 M N -3.374 116.073 119.600 -0.255 0.000 2.682 627 M HA 0.794 5.280 4.480 0.010 0.000 0.272 627 M C -2.968 173.207 176.300 -0.209 0.000 1.232 627 M CA -1.884 53.355 55.300 -0.102 0.000 0.849 627 M CB 2.383 35.063 32.600 0.133 0.000 1.695 627 M HN -0.303 nan 8.290 nan 0.000 0.481 628 P HA 0.281 nan 4.420 nan 0.000 0.274 628 P C -0.174 177.152 177.300 0.044 0.000 1.237 628 P CA -0.394 62.717 63.100 0.018 0.000 0.793 628 P CB 0.992 32.749 31.700 0.094 0.000 0.977 629 L N -0.378 120.854 121.223 0.015 0.000 2.416 629 L HA 0.224 4.570 4.340 0.010 0.000 0.216 629 L C 0.778 177.906 176.870 0.430 0.000 1.098 629 L CA 0.553 55.511 54.840 0.196 0.000 0.840 629 L CB -0.301 41.881 42.059 0.206 0.000 0.981 629 L HN 0.523 nan 8.230 nan 0.000 0.462 630 W N -2.203 119.253 121.300 0.261 0.000 3.059 630 W HA 0.569 5.234 4.660 0.009 0.000 0.329 630 W C -1.454 175.236 176.519 0.285 0.000 1.246 630 W CA -0.778 56.755 57.345 0.312 0.000 1.190 630 W CB 0.877 30.573 29.460 0.393 0.000 1.423 630 W HN -0.445 nan 8.180 nan 0.000 0.571 631 T N 1.805 116.724 114.554 0.609 0.000 3.109 631 T HA 0.341 4.697 4.350 0.010 0.000 0.311 631 T C -1.200 173.894 174.700 0.657 0.000 1.011 631 T CA -0.371 62.047 62.100 0.532 0.000 1.026 631 T CB 1.889 70.999 68.868 0.403 0.000 1.047 631 T HN 0.499 nan 8.240 nan 0.000 0.448 632 S N 2.881 118.990 115.700 0.682 0.000 2.454 632 S HA 0.843 5.319 4.470 0.010 0.000 0.306 632 S C -1.375 173.561 174.600 0.560 0.000 1.100 632 S CA -0.649 57.871 58.200 0.533 0.000 1.087 632 S CB 0.300 63.797 63.200 0.495 0.000 1.019 632 S HN 0.666 nan 8.310 nan 0.000 0.480 633 Y N 0.077 120.607 120.300 0.383 0.000 2.581 633 Y HA 0.697 5.253 4.550 0.010 0.000 0.337 633 Y C -0.841 175.305 175.900 0.410 0.000 1.108 633 Y CA -1.035 57.328 58.100 0.439 0.000 1.033 633 Y CB 0.905 39.657 38.460 0.487 0.000 1.318 633 Y HN 0.344 nan 8.280 nan 0.000 0.459 634 T N 4.239 119.147 114.554 0.589 0.000 2.807 634 T HA 0.650 5.006 4.350 0.010 0.000 0.279 634 T C -0.776 174.118 174.700 0.324 0.000 0.993 634 T CA -0.439 61.849 62.100 0.313 0.000 0.970 634 T CB 0.984 69.950 68.868 0.164 0.000 0.950 634 T HN 0.597 nan 8.240 nan 0.000 0.441 635 I N 3.159 123.868 120.570 0.232 0.000 2.410 635 I HA 0.299 4.475 4.170 0.010 0.000 0.286 635 I C 0.737 176.925 176.117 0.117 0.000 1.009 635 I CA -0.610 60.801 61.300 0.186 0.000 1.111 635 I CB 1.728 39.835 38.000 0.179 0.000 1.262 635 I HN 0.697 nan 8.210 nan 0.000 0.443 636 S N 4.569 120.326 115.700 0.096 0.000 2.634 636 S HA 0.226 4.702 4.470 0.010 0.000 0.261 636 S C 1.021 175.654 174.600 0.055 0.000 1.271 636 S CA -0.583 57.659 58.200 0.070 0.000 0.985 636 S CB 1.072 64.307 63.200 0.059 0.000 0.968 636 S HN 0.784 nan 8.310 nan 0.000 0.568 637 K N -0.132 120.297 120.400 0.049 0.000 2.296 637 K HA -0.016 4.310 4.320 0.010 0.000 0.200 637 K C 1.619 178.234 176.600 0.025 0.000 1.048 637 K CA 0.936 57.245 56.287 0.037 0.000 0.966 637 K CB -0.298 32.228 32.500 0.043 0.000 0.754 637 K HN 0.544 nan 8.250 nan 0.000 0.466 638 Q N 1.177 120.994 119.800 0.029 0.000 2.245 638 Q HA 0.183 4.528 4.340 0.010 0.000 0.201 638 Q C 0.570 176.582 176.000 0.020 0.000 0.955 638 Q CA 0.805 56.622 55.803 0.023 0.000 0.870 638 Q CB -0.006 28.748 28.738 0.027 0.000 0.945 638 Q HN 0.450 nan 8.270 nan 0.000 0.461 639 A N 1.149 123.986 122.820 0.027 0.000 2.507 639 A HA 0.106 4.432 4.320 0.010 0.000 0.235 639 A C -0.169 177.417 177.584 0.003 0.000 1.070 639 A CA 0.247 52.300 52.037 0.026 0.000 0.768 639 A CB 0.192 19.219 19.000 0.045 0.000 1.011 639 A HN 0.215 nan 8.150 nan 0.000 0.502 640 E N 0.006 120.206 120.200 0.000 0.000 2.317 640 E HA 0.469 4.825 4.350 0.010 0.000 0.270 640 E C -1.259 175.324 176.600 -0.028 0.000 0.885 640 E CA -0.918 55.470 56.400 -0.020 0.000 0.760 640 E CB 2.159 31.851 29.700 -0.013 0.000 1.227 640 E HN 0.432 nan 8.360 nan 0.000 0.434 641 V N 2.147 122.028 119.914 -0.056 0.000 2.555 641 V HA 0.171 4.297 4.120 0.010 0.000 0.286 641 V C -0.070 176.009 176.094 -0.026 0.000 1.044 641 V CA -0.077 62.185 62.300 -0.064 0.000 1.026 641 V CB 1.144 32.889 31.823 -0.131 0.000 0.981 641 V HN 0.589 nan 8.190 nan 0.000 0.480 642 S N 2.616 118.319 115.700 0.006 0.000 2.549 642 S HA 0.539 5.014 4.470 0.010 0.000 0.297 642 S C 0.100 174.736 174.600 0.061 0.000 1.115 642 S CA -0.716 57.496 58.200 0.022 0.000 1.059 642 S CB 1.735 64.943 63.200 0.014 0.000 1.046 642 S HN 0.968 nan 8.310 nan 0.000 0.506 643 S N 1.269 116.998 115.700 0.047 0.000 2.584 643 S HA 0.471 4.946 4.470 0.010 0.000 0.273 643 S C -0.130 174.489 174.600 0.031 0.000 1.311 643 S CA -0.750 57.490 58.200 0.067 0.000 1.034 643 S CB 0.225 63.449 63.200 0.040 0.000 0.939 643 S HN 0.687 nan 8.310 nan 0.000 0.513 644 I N 3.238 123.827 120.570 0.031 0.000 2.363 644 I HA 0.318 4.493 4.170 0.010 0.000 0.292 644 I C -2.194 173.895 176.117 -0.047 0.000 1.075 644 I CA -2.192 59.081 61.300 -0.045 0.000 1.333 644 I CB 0.548 38.481 38.000 -0.111 0.000 1.415 644 I HN 0.550 nan 8.210 nan 0.000 0.502 645 P HA 0.115 nan 4.420 nan 0.000 0.272 645 P C 0.384 177.588 177.300 -0.159 0.000 1.230 645 P CA -0.325 62.696 63.100 -0.131 0.000 0.788 645 P CB 0.617 32.167 31.700 -0.250 0.000 0.949 646 E N 0.615 120.787 120.200 -0.046 0.000 2.072 646 E HA -0.189 4.167 4.350 0.010 0.000 0.191 646 E C 1.686 178.268 176.600 -0.030 0.000 0.985 646 E CA 1.325 57.719 56.400 -0.009 0.000 0.801 646 E CB -0.464 29.268 29.700 0.054 0.000 0.750 646 E HN 0.646 nan 8.360 nan 0.000 0.452 647 H N -0.460 118.576 119.070 -0.057 0.000 2.546 647 H HA 0.026 4.587 4.556 0.010 0.000 0.277 647 H C 1.232 176.477 175.328 -0.138 0.000 1.004 647 H CA 0.484 56.492 56.048 -0.067 0.000 1.231 647 H CB -0.243 29.498 29.762 -0.035 0.000 1.382 647 H HN 0.078 nan 8.280 nan 0.000 0.580 648 L N 1.475 122.362 121.223 -0.561 0.000 3.141 648 L HA 0.201 4.547 4.340 0.010 0.000 0.267 648 L C 1.084 177.613 176.870 -0.568 0.000 1.281 648 L CA -0.229 54.195 54.840 -0.694 0.000 1.037 648 L CB 0.885 42.382 42.059 -0.938 0.000 1.407 648 L HN 0.046 nan 8.230 nan 0.000 0.566 649 T N -1.258 113.130 114.554 -0.276 0.000 2.814 649 T HA 0.022 4.378 4.350 0.010 0.000 0.254 649 T C 1.268 175.938 174.700 -0.050 0.000 1.037 649 T CA 0.921 62.946 62.100 -0.125 0.000 1.143 649 T CB 0.044 68.877 68.868 -0.058 0.000 0.866 649 T HN 0.251 nan 8.240 nan 0.000 0.431 650 N N 1.137 119.818 118.700 -0.032 0.000 2.380 650 N HA 0.177 4.923 4.740 0.010 0.000 0.255 650 N C -0.578 174.954 175.510 0.037 0.000 1.158 650 N CA -0.088 53.010 53.050 0.079 0.000 0.878 650 N CB 0.188 38.723 38.487 0.080 0.000 1.138 650 N HN 0.324 nan 8.380 nan 0.000 0.509 651 c N 1.141 119.671 118.600 -0.117 0.000 2.373 651 c HA 0.535 5.111 4.570 0.010 0.000 0.354 651 c C 0.080 174.170 174.090 -0.000 0.000 1.249 651 c CA -0.190 56.026 56.329 -0.189 0.000 1.784 651 c CB -0.924 41.276 42.510 -0.516 0.000 2.408 651 c HN 0.081 nan 8.230 nan 0.000 0.542 652 V N 7.785 127.742 119.914 0.070 0.000 2.524 652 V HA 0.535 4.661 4.120 0.010 0.000 0.297 652 V C -0.416 175.740 176.094 0.103 0.000 1.035 652 V CA -0.504 61.878 62.300 0.137 0.000 0.867 652 V CB 1.624 33.456 31.823 0.015 0.000 1.004 652 V HN 0.953 nan 8.190 nan 0.000 0.426 653 R N 4.507 125.092 120.500 0.142 0.000 2.514 653 R HA 0.820 5.166 4.340 0.010 0.000 0.301 653 R C -3.058 173.307 176.300 0.107 0.000 0.962 653 R CA -2.086 54.086 56.100 0.119 0.000 0.882 653 R CB 0.908 31.294 30.300 0.142 0.000 1.143 653 R HN 0.324 nan 8.270 nan 0.000 0.452 654 P HA 0.013 nan 4.420 nan 0.000 0.271 654 P C -1.005 176.330 177.300 0.059 0.000 1.218 654 P CA -0.213 62.926 63.100 0.064 0.000 0.780 654 P CB 0.611 32.341 31.700 0.049 0.000 0.901 655 D N 1.948 122.371 120.400 0.040 0.000 2.274 655 D HA 0.042 4.688 4.640 0.010 0.000 0.239 655 D C 0.742 177.047 176.300 0.008 0.000 1.104 655 D CA -0.300 53.713 54.000 0.021 0.000 0.840 655 D CB 1.532 42.319 40.800 -0.021 0.000 1.100 655 D HN -0.019 nan 8.370 nan 0.000 0.477 656 V N 5.382 125.303 119.914 0.012 0.000 3.217 656 V HA -0.097 4.029 4.120 0.010 0.000 0.264 656 V C 2.054 178.150 176.094 0.002 0.000 1.135 656 V CA 1.215 63.521 62.300 0.010 0.000 1.142 656 V CB -0.370 31.460 31.823 0.011 0.000 0.754 656 V HN 0.485 nan 8.190 nan 0.000 0.484 657 R N -0.847 119.645 120.500 -0.014 0.000 2.173 657 R HA 0.151 4.497 4.340 0.010 0.000 0.208 657 R C 0.393 176.683 176.300 -0.016 0.000 1.035 657 R CA 0.342 56.431 56.100 -0.019 0.000 1.004 657 R CB 0.122 30.398 30.300 -0.039 0.000 0.917 657 R HN 0.380 nan 8.270 nan 0.000 0.462 658 V N 1.038 120.936 119.914 -0.025 0.000 2.547 658 V HA 0.154 4.279 4.120 0.010 0.000 0.299 658 V C 0.336 176.471 176.094 0.068 0.000 1.040 658 V CA -0.837 61.466 62.300 0.005 0.000 0.913 658 V CB 1.805 33.572 31.823 -0.092 0.000 0.992 658 V HN 0.107 nan 8.190 nan 0.000 0.449 659 S N 5.277 121.067 115.700 0.150 0.000 2.572 659 S HA 0.181 4.657 4.470 0.010 0.000 0.279 659 S C -0.913 173.774 174.600 0.145 0.000 1.341 659 S CA -0.800 57.506 58.200 0.178 0.000 1.043 659 S CB 0.898 64.290 63.200 0.320 0.000 0.887 659 S HN 0.715 nan 8.310 nan 0.000 0.516 660 P HA 0.030 nan 4.420 nan 0.000 0.222 660 P C 1.221 178.516 177.300 -0.009 0.000 1.147 660 P CA 1.043 64.166 63.100 0.038 0.000 0.790 660 P CB -0.344 31.366 31.700 0.018 0.000 0.780 661 G N -1.575 107.176 108.800 -0.082 0.000 2.813 661 G HA2 -0.065 3.901 3.960 0.010 0.000 0.209 661 G HA3 -0.065 3.901 3.960 0.010 0.000 0.209 661 G C 0.352 174.925 174.900 -0.545 0.000 1.150 661 G CA 0.033 44.937 45.100 -0.326 0.000 0.785 661 G HN 0.194 nan 8.290 nan 0.000 0.535 662 F N 1.570 121.566 119.950 0.076 0.000 2.818 662 F HA 0.371 4.904 4.527 0.010 0.000 0.369 662 F C 0.376 176.304 175.800 0.212 0.000 1.327 662 F CA -0.909 57.165 58.000 0.123 0.000 1.211 662 F CB 0.531 39.607 39.000 0.127 0.000 1.036 662 F HN 0.051 nan 8.300 nan 0.000 0.510 663 S N -1.613 114.241 115.700 0.257 0.000 2.556 663 S HA 0.532 5.008 4.470 0.010 0.000 0.271 663 S C -0.831 173.879 174.600 0.184 0.000 1.135 663 S CA -1.133 57.228 58.200 0.267 0.000 0.858 663 S CB 1.935 65.241 63.200 0.176 0.000 1.114 663 S HN 0.176 nan 8.310 nan 0.000 0.468 664 Q N 0.929 120.857 119.800 0.213 0.000 2.492 664 Q HA 0.354 4.700 4.340 0.010 0.000 0.238 664 Q C -0.178 175.894 176.000 0.121 0.000 1.045 664 Q CA 0.031 55.936 55.803 0.171 0.000 0.934 664 Q CB 0.325 29.205 28.738 0.236 0.000 1.276 664 Q HN 0.834 nan 8.270 nan 0.000 0.521 665 N N -2.006 116.752 118.700 0.097 0.000 2.284 665 N HA 0.268 5.014 4.740 0.010 0.000 0.289 665 N C -0.725 174.851 175.510 0.109 0.000 1.179 665 N CA -0.770 52.322 53.050 0.069 0.000 0.774 665 N CB 0.956 39.458 38.487 0.025 0.000 1.548 665 N HN 0.416 nan 8.380 nan 0.000 0.473 666 c N 0.363 119.015 118.600 0.087 0.000 2.481 666 c HA 0.100 4.676 4.570 0.010 0.000 0.275 666 c C 2.132 176.292 174.090 0.117 0.000 1.419 666 c CA -0.092 56.305 56.329 0.112 0.000 1.773 666 c CB -1.450 41.081 42.510 0.035 0.000 1.862 666 c HN 0.768 nan 8.230 nan 0.000 0.530 667 L N 1.727 122.985 121.223 0.058 0.000 2.109 667 L HA 0.049 4.395 4.340 0.010 0.000 0.207 667 L C 2.596 179.471 176.870 0.008 0.000 1.086 667 L CA 1.934 56.795 54.840 0.035 0.000 0.760 667 L CB -0.755 41.312 42.059 0.014 0.000 0.910 667 L HN 0.258 nan 8.230 nan 0.000 0.437 668 A N -1.178 121.605 122.820 -0.061 0.000 1.908 668 A HA -0.261 4.065 4.320 0.010 0.000 0.218 668 A C 2.097 179.558 177.584 -0.206 0.000 1.181 668 A CA 2.053 53.980 52.037 -0.183 0.000 0.627 668 A CB -1.049 17.750 19.000 -0.336 0.000 0.818 668 A HN 0.551 nan 8.150 nan 0.000 0.445 669 Y N -0.413 119.913 120.300 0.043 0.000 2.395 669 Y HA -0.081 4.475 4.550 0.009 0.000 0.293 669 Y C 2.358 178.301 175.900 0.071 0.000 1.123 669 Y CA 1.392 59.533 58.100 0.068 0.000 1.227 669 Y CB -0.047 38.477 38.460 0.108 0.000 1.012 669 Y HN 0.341 nan 8.280 nan 0.000 0.552 670 K N 1.005 121.513 120.400 0.180 0.000 2.057 670 K HA -0.135 4.191 4.320 0.010 0.000 0.206 670 K C 1.288 177.938 176.600 0.083 0.000 1.050 670 K CA 1.948 58.309 56.287 0.124 0.000 0.935 670 K CB -0.266 32.292 32.500 0.096 0.000 0.715 670 K HN 0.123 nan 8.250 nan 0.000 0.439 671 N N 0.950 119.683 118.700 0.054 0.000 2.300 671 N HA -0.080 4.666 4.740 0.010 0.000 0.179 671 N C -0.374 175.160 175.510 0.040 0.000 1.016 671 N CA 0.759 53.830 53.050 0.035 0.000 0.876 671 N CB -0.070 38.424 38.487 0.012 0.000 0.979 671 N HN 0.245 nan 8.380 nan 0.000 0.432 672 D N 0.873 121.301 120.400 0.046 0.000 2.346 672 D HA 0.032 4.677 4.640 0.010 0.000 0.260 672 D C 0.381 176.733 176.300 0.086 0.000 1.252 672 D CA 0.156 54.191 54.000 0.058 0.000 0.895 672 D CB 0.616 41.444 40.800 0.047 0.000 1.097 672 D HN 0.119 nan 8.370 nan 0.000 0.489 673 K N 2.063 122.508 120.400 0.076 0.000 2.283 673 K HA -0.094 4.232 4.320 0.010 0.000 0.202 673 K C 1.401 178.060 176.600 0.098 0.000 1.048 673 K CA 0.907 57.241 56.287 0.078 0.000 0.948 673 K CB 0.394 32.931 32.500 0.062 0.000 0.742 673 K HN 0.470 nan 8.250 nan 0.000 0.458 674 Q N -0.853 119.020 119.800 0.121 0.000 2.316 674 Q HA 0.162 4.508 4.340 0.010 0.000 0.235 674 Q C 0.217 176.337 176.000 0.201 0.000 0.863 674 Q CA 0.082 55.989 55.803 0.173 0.000 0.939 674 Q CB 0.434 29.298 28.738 0.210 0.000 1.108 674 Q HN 0.137 nan 8.270 nan 0.000 0.522 675 M N 0.609 120.293 119.600 0.139 0.000 2.404 675 M HA 0.413 4.898 4.480 0.010 0.000 0.338 675 M C -0.524 175.900 176.300 0.206 0.000 1.150 675 M CA -0.358 55.009 55.300 0.111 0.000 1.016 675 M CB 2.031 34.685 32.600 0.090 0.000 1.672 675 M HN -0.061 nan 8.290 nan 0.000 0.448 676 S N 2.133 117.917 115.700 0.140 0.000 2.851 676 S HA 0.855 5.331 4.470 0.010 0.000 0.317 676 S C -1.712 172.800 174.600 -0.147 0.000 1.144 676 S CA -0.592 57.632 58.200 0.039 0.000 0.862 676 S CB 0.938 64.121 63.200 -0.028 0.000 1.259 676 S HN 0.630 nan 8.310 nan 0.000 0.564 677 Y N -1.134 118.916 120.300 -0.417 0.000 2.602 677 Y HA 0.917 5.473 4.550 0.010 0.000 0.342 677 Y C -0.015 175.625 175.900 -0.434 0.000 1.029 677 Y CA -0.616 57.130 58.100 -0.590 0.000 1.080 677 Y CB 0.924 38.825 38.460 -0.932 0.000 1.284 677 Y HN 0.809 nan 8.280 nan 0.000 0.485 678 G N 0.527 109.087 108.800 -0.399 0.000 2.921 678 G HA2 0.673 4.639 3.960 0.010 0.000 0.291 678 G HA3 0.673 4.639 3.960 0.010 0.000 0.291 678 G C -2.417 172.151 174.900 -0.553 0.000 1.370 678 G CA -1.103 43.759 45.100 -0.398 0.000 0.847 678 G HN 0.486 nan 8.290 nan 0.000 0.532 679 F N -0.347 119.638 119.950 0.057 0.000 2.547 679 F HA 0.440 4.973 4.527 0.010 0.000 0.316 679 F C 1.095 176.960 175.800 0.108 0.000 1.121 679 F CA -0.734 57.286 58.000 0.033 0.000 0.911 679 F CB 2.296 41.258 39.000 -0.065 0.000 1.179 679 F HN 0.251 nan 8.300 nan 0.000 0.443 680 L N 1.334 122.710 121.223 0.255 0.000 2.093 680 L HA -0.077 4.268 4.340 0.010 0.000 0.208 680 L C 0.424 177.432 176.870 0.230 0.000 1.085 680 L CA 1.182 56.197 54.840 0.291 0.000 0.755 680 L CB -0.045 42.151 42.059 0.229 0.000 0.904 680 L HN 0.440 nan 8.230 nan 0.000 0.435 681 F N 2.790 122.606 119.950 -0.223 0.000 2.410 681 F HA 0.375 4.908 4.527 0.010 0.000 0.349 681 F C -2.127 173.383 175.800 -0.483 0.000 1.117 681 F CA -3.358 54.283 58.000 -0.599 0.000 1.104 681 F CB 0.757 39.030 39.000 -1.212 0.000 1.122 681 F HN -0.245 nan 8.300 nan 0.000 0.483 682 P HA 0.177 nan 4.420 nan 0.000 0.276 682 P C -2.535 174.234 177.300 -0.885 0.000 1.243 682 P CA -1.415 61.224 63.100 -0.768 0.000 0.768 682 P CB 0.929 32.295 31.700 -0.557 0.000 0.856 683 P HA -0.098 nan 4.420 nan 0.000 0.226 683 P C 0.994 177.993 177.300 -0.501 0.000 1.153 683 P CA 1.168 63.838 63.100 -0.716 0.000 0.777 683 P CB -0.342 30.744 31.700 -1.024 0.000 0.794 684 Y N -0.331 119.764 120.300 -0.342 0.000 2.181 684 Y HA -0.073 4.483 4.550 0.010 0.000 0.288 684 Y C 1.434 177.192 175.900 -0.237 0.000 1.146 684 Y CA 0.691 58.639 58.100 -0.255 0.000 1.164 684 Y CB -1.320 36.979 38.460 -0.268 0.000 0.982 684 Y HN -0.156 nan 8.280 nan 0.000 0.515 685 L N 1.508 122.629 121.223 -0.169 0.000 2.598 685 L HA 0.238 4.583 4.340 0.010 0.000 0.241 685 L C 0.097 176.953 176.870 -0.024 0.000 1.244 685 L CA -0.440 54.316 54.840 -0.140 0.000 1.198 685 L CB -0.374 41.559 42.059 -0.210 0.000 1.448 685 L HN 0.006 nan 8.230 nan 0.000 0.406 686 S N -2.191 113.528 115.700 0.033 0.000 2.549 686 S HA 0.412 4.888 4.470 0.010 0.000 0.297 686 S C 1.074 175.738 174.600 0.107 0.000 1.115 686 S CA -0.200 58.074 58.200 0.123 0.000 1.059 686 S CB 1.886 65.128 63.200 0.070 0.000 1.046 686 S HN 0.401 nan 8.310 nan 0.000 0.506 687 S N 1.840 117.618 115.700 0.129 0.000 2.357 687 S HA 0.076 4.551 4.470 0.010 0.000 0.221 687 S C 0.886 175.536 174.600 0.083 0.000 1.031 687 S CA 0.608 58.871 58.200 0.105 0.000 0.982 687 S CB -0.889 62.379 63.200 0.113 0.000 0.853 687 S HN 1.362 nan 8.310 nan 0.000 0.458 688 S N 0.318 116.071 115.700 0.088 0.000 2.595 688 S HA 0.637 5.113 4.470 0.010 0.000 0.281 688 S C -2.831 171.832 174.600 0.105 0.000 1.117 688 S CA -1.478 56.773 58.200 0.085 0.000 0.873 688 S CB 1.524 64.772 63.200 0.081 0.000 1.108 688 S HN -0.013 nan 8.310 nan 0.000 0.477 689 P HA -0.015 nan 4.420 nan 0.000 0.219 689 P C 0.739 178.201 177.300 0.270 0.000 1.146 689 P CA 1.115 64.307 63.100 0.153 0.000 0.808 689 P CB 0.057 31.846 31.700 0.149 0.000 0.779 690 E N -0.215 120.125 120.200 0.232 0.000 2.107 690 E HA -0.043 4.312 4.350 0.010 0.000 0.191 690 E C 2.120 178.892 176.600 0.287 0.000 0.982 690 E CA 1.243 57.793 56.400 0.250 0.000 0.809 690 E CB -1.033 28.727 29.700 0.099 0.000 0.756 690 E HN 0.136 nan 8.360 nan 0.000 0.459 691 A N 0.723 123.657 122.820 0.189 0.000 2.121 691 A HA -0.138 4.188 4.320 0.010 0.000 0.218 691 A C 1.903 179.580 177.584 0.153 0.000 1.154 691 A CA 1.012 53.140 52.037 0.152 0.000 0.679 691 A CB -0.284 18.783 19.000 0.112 0.000 0.795 691 A HN 0.043 nan 8.150 nan 0.000 0.458 692 K N -1.467 119.019 120.400 0.143 0.000 2.211 692 K HA -0.121 4.205 4.320 0.010 0.000 0.203 692 K C 1.257 177.840 176.600 -0.028 0.000 1.050 692 K CA 1.185 57.471 56.287 -0.002 0.000 0.945 692 K CB -0.237 32.238 32.500 -0.042 0.000 0.732 692 K HN 0.634 nan 8.250 nan 0.000 0.451 693 Y N 0.912 121.288 120.300 0.127 0.000 2.421 693 Y HA -0.168 4.388 4.550 0.010 0.000 0.292 693 Y C 1.728 177.704 175.900 0.126 0.000 1.136 693 Y CA 0.911 59.123 58.100 0.186 0.000 1.255 693 Y CB -0.013 38.526 38.460 0.133 0.000 0.991 693 Y HN 0.116 nan 8.280 nan 0.000 0.552 694 D N -0.367 120.159 120.400 0.211 0.000 2.144 694 D HA -0.119 4.527 4.640 0.010 0.000 0.200 694 D C 2.244 178.618 176.300 0.124 0.000 0.978 694 D CA 1.229 55.337 54.000 0.180 0.000 0.833 694 D CB -0.380 40.506 40.800 0.144 0.000 0.961 694 D HN 0.303 nan 8.370 nan 0.000 0.470 695 A N -0.001 122.761 122.820 -0.096 0.000 1.972 695 A HA -0.119 4.206 4.320 0.010 0.000 0.219 695 A C 1.404 178.469 177.584 -0.866 0.000 1.169 695 A CA 0.764 52.500 52.037 -0.501 0.000 0.635 695 A CB -0.742 17.844 19.000 -0.690 0.000 0.810 695 A HN 0.176 nan 8.150 nan 0.000 0.446 696 F N -0.081 119.610 119.950 -0.432 0.000 2.731 696 F HA 0.316 4.849 4.527 0.010 0.000 0.304 696 F C 0.536 176.300 175.800 -0.060 0.000 1.133 696 F CA -0.357 57.365 58.000 -0.463 0.000 1.380 696 F CB -0.589 38.242 39.000 -0.282 0.000 1.079 696 F HN -0.002 nan 8.300 nan 0.000 0.550 697 L N -0.312 120.989 121.223 0.131 0.000 2.439 697 L HA 0.023 4.368 4.340 0.010 0.000 0.269 697 L C 1.737 178.757 176.870 0.251 0.000 1.179 697 L CA -0.122 54.833 54.840 0.192 0.000 0.828 697 L CB 1.049 43.213 42.059 0.176 0.000 1.106 697 L HN -0.080 nan 8.230 nan 0.000 0.467 698 V N 1.886 121.912 119.914 0.186 0.000 2.568 698 V HA -0.246 3.880 4.120 0.010 0.000 0.253 698 V C 2.189 178.388 176.094 0.175 0.000 1.072 698 V CA 2.454 64.851 62.300 0.162 0.000 1.084 698 V CB -0.335 31.552 31.823 0.107 0.000 0.676 698 V HN 1.114 nan 8.190 nan 0.000 0.469 699 T N -2.385 112.237 114.554 0.114 0.000 3.085 699 T HA -0.063 4.293 4.350 0.010 0.000 0.263 699 T C 1.501 176.361 174.700 0.267 0.000 1.127 699 T CA 1.210 63.350 62.100 0.067 0.000 1.103 699 T CB -0.421 68.301 68.868 -0.244 0.000 0.921 699 T HN 0.461 nan 8.240 nan 0.000 0.510 700 N N 0.007 118.866 118.700 0.265 0.000 2.236 700 N HA 0.269 5.015 4.740 0.010 0.000 0.196 700 N C 0.110 175.832 175.510 0.353 0.000 1.114 700 N CA -0.272 52.943 53.050 0.275 0.000 0.859 700 N CB -0.174 38.404 38.487 0.153 0.000 0.982 700 N HN 0.465 nan 8.380 nan 0.000 0.493 701 M N 1.425 121.184 119.600 0.265 0.000 2.211 701 M HA 0.259 4.745 4.480 0.010 0.000 0.356 701 M C -0.803 175.515 176.300 0.030 0.000 1.216 701 M CA -0.451 54.851 55.300 0.003 0.000 1.134 701 M CB 0.730 33.308 32.600 -0.035 0.000 1.564 701 M HN -0.056 nan 8.290 nan 0.000 0.463 702 V N 3.315 123.179 119.914 -0.082 0.000 2.841 702 V HA 0.764 4.890 4.120 0.010 0.000 0.310 702 V C -2.883 173.170 176.094 -0.068 0.000 1.090 702 V CA -2.172 60.116 62.300 -0.020 0.000 0.930 702 V CB 1.389 33.198 31.823 -0.022 0.000 1.014 702 V HN 0.723 nan 8.190 nan 0.000 0.425 703 P HA 0.559 nan 4.420 nan 0.000 0.282 703 P C -0.868 176.377 177.300 -0.091 0.000 1.262 703 P CA -0.079 63.070 63.100 0.081 0.000 0.773 703 P CB 0.699 32.559 31.700 0.267 0.000 0.879 704 M N 2.883 122.438 119.600 -0.075 0.000 2.386 704 M HA 0.335 4.821 4.480 0.010 0.000 0.293 704 M C -0.733 175.656 176.300 0.148 0.000 1.120 704 M CA -0.827 54.490 55.300 0.029 0.000 0.909 704 M CB 2.127 34.679 32.600 -0.079 0.000 1.661 704 M HN 0.208 nan 8.290 nan 0.000 0.452 705 Y N 1.843 122.349 120.300 0.343 0.000 2.480 705 Y HA 0.117 4.674 4.550 0.010 0.000 0.338 705 Y C -1.532 174.457 175.900 0.150 0.000 1.220 705 Y CA -0.892 57.301 58.100 0.155 0.000 1.430 705 Y CB 0.027 38.502 38.460 0.026 0.000 1.311 705 Y HN 0.504 nan 8.280 nan 0.000 0.575 706 P HA -0.179 nan 4.420 nan 0.000 0.220 706 P C 0.899 178.297 177.300 0.162 0.000 1.148 706 P CA 2.016 65.212 63.100 0.160 0.000 0.803 706 P CB 0.172 31.940 31.700 0.112 0.000 0.782 707 A N -1.248 121.679 122.820 0.179 0.000 1.929 707 A HA -0.144 4.182 4.320 0.010 0.000 0.216 707 A C 2.018 179.727 177.584 0.207 0.000 1.176 707 A CA 1.020 53.139 52.037 0.137 0.000 0.628 707 A CB -1.711 17.323 19.000 0.056 0.000 0.816 707 A HN 0.167 nan 8.150 nan 0.000 0.444 708 F N 0.652 120.692 119.950 0.150 0.000 2.325 708 F HA -0.013 4.519 4.527 0.009 0.000 0.299 708 F C 2.000 177.903 175.800 0.173 0.000 1.090 708 F CA 1.501 59.609 58.000 0.179 0.000 1.392 708 F CB -0.064 39.093 39.000 0.260 0.000 1.053 708 F HN 0.093 nan 8.300 nan 0.000 0.521 709 K N 0.066 120.595 120.400 0.215 0.000 2.160 709 K HA -0.210 4.116 4.320 0.010 0.000 0.206 709 K C 2.157 178.797 176.600 0.067 0.000 1.047 709 K CA 1.525 57.892 56.287 0.133 0.000 0.930 709 K CB -0.175 32.391 32.500 0.111 0.000 0.720 709 K HN 0.298 nan 8.250 nan 0.000 0.450 710 R N 0.258 120.795 120.500 0.063 0.000 2.091 710 R HA -0.122 4.224 4.340 0.010 0.000 0.238 710 R C 2.294 178.570 176.300 -0.040 0.000 1.136 710 R CA 1.367 57.502 56.100 0.058 0.000 0.959 710 R CB -0.363 30.041 30.300 0.174 0.000 0.856 710 R HN 0.022 nan 8.270 nan 0.000 0.437 711 V N -0.092 119.753 119.914 -0.114 0.000 2.283 711 V HA -0.237 3.889 4.120 0.010 0.000 0.243 711 V C 1.998 177.995 176.094 -0.161 0.000 1.039 711 V CA 1.426 63.589 62.300 -0.229 0.000 1.016 711 V CB -0.617 31.019 31.823 -0.312 0.000 0.650 711 V HN 0.534 nan 8.190 nan 0.000 0.449 712 W N 0.711 121.748 121.300 -0.437 0.000 2.363 712 W HA -0.195 4.470 4.660 0.009 0.000 0.296 712 W C 2.410 178.910 176.519 -0.032 0.000 1.212 712 W CA 1.782 58.995 57.345 -0.221 0.000 1.260 712 W CB -0.052 29.272 29.460 -0.226 0.000 1.131 712 W HN 0.316 nan 8.180 nan 0.000 0.530 713 A N -0.648 122.188 122.820 0.027 0.000 1.898 713 A HA -0.259 4.067 4.320 0.010 0.000 0.216 713 A C 1.733 179.207 177.584 -0.184 0.000 1.181 713 A CA 1.521 53.539 52.037 -0.031 0.000 0.620 713 A CB -1.584 17.450 19.000 0.057 0.000 0.819 713 A HN 0.477 nan 8.150 nan 0.000 0.442 714 Y N -0.888 119.258 120.300 -0.257 0.000 2.181 714 Y HA -0.220 4.336 4.550 0.010 0.000 0.288 714 Y C 2.011 177.712 175.900 -0.332 0.000 1.146 714 Y CA 2.122 60.035 58.100 -0.312 0.000 1.164 714 Y CB -0.351 37.912 38.460 -0.327 0.000 0.982 714 Y HN 0.374 nan 8.280 nan 0.000 0.515 715 F N 1.047 120.743 119.950 -0.422 0.000 2.102 715 F HA -0.226 4.307 4.527 0.010 0.000 0.298 715 F C 2.215 177.670 175.800 -0.575 0.000 1.105 715 F CA 2.109 59.802 58.000 -0.512 0.000 1.239 715 F CB -0.717 37.980 39.000 -0.505 0.000 0.991 715 F HN 0.095 nan 8.300 nan 0.000 0.474 716 Q N -0.211 119.101 119.800 -0.813 0.000 2.079 716 Q HA -0.170 4.176 4.340 0.010 0.000 0.200 716 Q C 2.458 178.038 176.000 -0.700 0.000 0.974 716 Q CA 1.493 56.819 55.803 -0.796 0.000 0.840 716 Q CB -0.259 28.170 28.738 -0.515 0.000 0.898 716 Q HN 0.439 nan 8.270 nan 0.000 0.430 717 R N -0.070 119.954 120.500 -0.794 0.000 2.080 717 R HA -0.048 4.297 4.340 0.010 0.000 0.222 717 R C 1.817 177.693 176.300 -0.706 0.000 1.107 717 R CA 0.933 56.477 56.100 -0.927 0.000 0.980 717 R CB 0.405 30.022 30.300 -1.138 0.000 0.879 717 R HN 0.081 nan 8.270 nan 0.000 0.439 718 V N 0.115 119.557 119.914 -0.787 0.000 2.721 718 V HA -0.019 4.107 4.120 0.010 0.000 0.236 718 V C 2.153 177.812 176.094 -0.726 0.000 1.116 718 V CA 0.524 62.363 62.300 -0.768 0.000 1.148 718 V CB -0.387 30.817 31.823 -1.031 0.000 0.886 718 V HN 0.163 nan 8.190 nan 0.000 0.490 719 L N 0.309 121.032 121.223 -0.833 0.000 2.046 719 L HA -0.116 4.230 4.340 0.010 0.000 0.208 719 L C 2.513 178.764 176.870 -1.030 0.000 1.077 719 L CA 1.068 55.396 54.840 -0.854 0.000 0.747 719 L CB -0.764 40.935 42.059 -0.598 0.000 0.896 719 L HN 0.183 nan 8.230 nan 0.000 0.432 720 V N 0.206 119.611 119.914 -0.848 0.000 2.287 720 V HA -0.312 3.814 4.120 0.010 0.000 0.248 720 V C 2.621 178.507 176.094 -0.347 0.000 1.053 720 V CA 2.105 64.065 62.300 -0.566 0.000 1.027 720 V CB -0.512 30.969 31.823 -0.570 0.000 0.646 720 V HN 0.385 nan 8.190 nan 0.000 0.447 721 K N 0.863 121.051 120.400 -0.354 0.000 2.097 721 K HA -0.190 4.136 4.320 0.010 0.000 0.206 721 K C 2.152 178.633 176.600 -0.199 0.000 1.049 721 K CA 1.703 57.856 56.287 -0.224 0.000 0.933 721 K CB -0.417 31.948 32.500 -0.225 0.000 0.717 721 K HN 0.394 nan 8.250 nan 0.000 0.442 722 K N -0.808 119.403 120.400 -0.315 0.000 2.032 722 K HA -0.196 4.130 4.320 0.010 0.000 0.209 722 K C 1.782 178.334 176.600 -0.079 0.000 1.048 722 K CA 1.703 57.843 56.287 -0.245 0.000 0.927 722 K CB -0.245 32.037 32.500 -0.362 0.000 0.712 722 K HN 0.151 nan 8.250 nan 0.000 0.441 723 Y N 0.203 120.481 120.300 -0.038 0.000 2.242 723 Y HA -0.051 4.505 4.550 0.010 0.000 0.291 723 Y C 2.401 178.306 175.900 0.009 0.000 1.137 723 Y CA 0.659 58.762 58.100 0.005 0.000 1.181 723 Y CB -1.054 37.428 38.460 0.038 0.000 0.989 723 Y HN 0.158 nan 8.280 nan 0.000 0.527 724 A N -0.624 122.273 122.820 0.129 0.000 1.972 724 A HA -0.148 4.177 4.320 0.010 0.000 0.219 724 A C 2.401 180.024 177.584 0.066 0.000 1.169 724 A CA 1.940 54.029 52.037 0.087 0.000 0.635 724 A CB -0.823 18.207 19.000 0.050 0.000 0.810 724 A HN 0.394 nan 8.150 nan 0.000 0.446 725 S N -0.497 115.227 115.700 0.041 0.000 2.414 725 S HA -0.066 4.409 4.470 0.010 0.000 0.227 725 S C 1.760 176.386 174.600 0.045 0.000 1.022 725 S CA 1.214 59.432 58.200 0.030 0.000 0.958 725 S CB -0.112 63.088 63.200 0.000 0.000 0.797 725 S HN 0.730 nan 8.310 nan 0.000 0.493 726 E N 1.053 121.288 120.200 0.059 0.000 2.086 726 E HA 0.068 4.424 4.350 0.010 0.000 0.190 726 E C 1.920 178.550 176.600 0.050 0.000 0.975 726 E CA 0.550 56.979 56.400 0.048 0.000 0.813 726 E CB 0.017 29.760 29.700 0.072 0.000 0.768 726 E HN 0.301 nan 8.360 nan 0.000 0.457 727 R N 0.791 121.342 120.500 0.085 0.000 2.317 727 R HA 0.084 4.429 4.340 0.010 0.000 0.208 727 R C 0.085 176.458 176.300 0.122 0.000 0.914 727 R CA -0.018 56.141 56.100 0.099 0.000 1.060 727 R CB 0.041 30.397 30.300 0.093 0.000 1.015 727 R HN 0.041 nan 8.270 nan 0.000 0.498 728 N N 1.202 119.967 118.700 0.109 0.000 2.699 728 N HA -0.146 4.600 4.740 0.010 0.000 0.257 728 N C -0.714 174.852 175.510 0.093 0.000 1.077 728 N CA 1.330 54.441 53.050 0.101 0.000 0.702 728 N CB -1.216 37.343 38.487 0.120 0.000 0.886 728 N HN 0.558 nan 8.380 nan 0.000 0.549 729 G N -1.386 107.467 108.800 0.089 0.000 2.879 729 G HA2 0.196 4.161 3.960 0.010 0.000 0.686 729 G HA3 0.196 4.161 3.960 0.010 0.000 0.686 729 G C -0.345 174.618 174.900 0.106 0.000 1.115 729 G CA -0.065 45.090 45.100 0.090 0.000 0.770 729 G HN 1.524 nan 8.290 nan 0.000 0.601 730 V N -0.726 119.256 119.914 0.112 0.000 2.962 730 V HA 0.873 4.999 4.120 0.010 0.000 0.313 730 V C -0.034 176.130 176.094 0.117 0.000 1.099 730 V CA -1.200 61.173 62.300 0.123 0.000 0.971 730 V CB 2.320 34.223 31.823 0.133 0.000 1.028 730 V HN 1.110 nan 8.190 nan 0.000 0.430 731 N N 1.606 120.387 118.700 0.134 0.000 2.446 731 N HA 0.570 5.316 4.740 0.010 0.000 0.265 731 N C -1.446 174.091 175.510 0.046 0.000 0.975 731 N CA -0.197 52.926 53.050 0.121 0.000 0.928 731 N CB 2.040 40.675 38.487 0.247 0.000 1.160 731 N HN 0.672 nan 8.380 nan 0.000 0.495 732 V N 5.149 124.970 119.914 -0.153 0.000 2.435 732 V HA 0.535 4.661 4.120 0.010 0.000 0.290 732 V C 0.141 176.125 176.094 -0.183 0.000 1.030 732 V CA -0.593 61.551 62.300 -0.260 0.000 0.881 732 V CB 1.406 32.885 31.823 -0.573 0.000 0.983 732 V HN 0.531 nan 8.190 nan 0.000 0.445 733 I N 4.713 125.297 120.570 0.023 0.000 2.439 733 I HA 0.524 4.700 4.170 0.010 0.000 0.283 733 I C -0.145 176.096 176.117 0.206 0.000 1.023 733 I CA 0.033 61.429 61.300 0.161 0.000 1.100 733 I CB 1.877 39.936 38.000 0.098 0.000 1.238 733 I HN 0.752 nan 8.210 nan 0.000 0.445 734 S N 3.669 119.499 115.700 0.216 0.000 2.569 734 S HA 1.015 5.491 4.470 0.010 0.000 0.280 734 S C -0.429 174.069 174.600 -0.171 0.000 1.111 734 S CA -0.694 57.488 58.200 -0.029 0.000 0.887 734 S CB 2.648 66.040 63.200 0.320 0.000 1.095 734 S HN 0.860 nan 8.310 nan 0.000 0.476 735 G N 0.331 108.712 108.800 -0.698 0.000 2.490 735 G HA2 0.717 4.683 3.960 0.010 0.000 0.308 735 G HA3 0.717 4.683 3.960 0.010 0.000 0.308 735 G C -3.642 171.133 174.900 -0.208 0.000 1.286 735 G CA -0.908 44.026 45.100 -0.276 0.000 0.825 735 G HN 0.669 nan 8.290 nan 0.000 0.479 736 P HA 0.755 nan 4.420 nan 0.000 0.285 736 P C -0.985 176.172 177.300 -0.239 0.000 1.280 736 P CA -0.750 62.105 63.100 -0.409 0.000 0.862 736 P CB 2.227 33.608 31.700 -0.532 0.000 1.153 737 I N 0.620 120.869 120.570 -0.534 0.000 2.569 737 I HA 0.377 4.553 4.170 0.010 0.000 0.290 737 I C -0.980 174.832 176.117 -0.509 0.000 1.088 737 I CA -0.632 60.497 61.300 -0.284 0.000 1.047 737 I CB 1.732 39.723 38.000 -0.015 0.000 1.237 737 I HN 0.152 nan 8.210 nan 0.000 0.421 738 F N 4.099 123.982 119.950 -0.112 0.000 2.445 738 F HA 0.382 4.915 4.527 0.010 0.000 0.348 738 F C -0.255 175.531 175.800 -0.023 0.000 1.125 738 F CA -0.589 57.358 58.000 -0.090 0.000 0.983 738 F CB 1.303 40.269 39.000 -0.057 0.000 1.198 738 F HN 0.286 nan 8.300 nan 0.000 0.436 739 D N 2.157 122.603 120.400 0.077 0.000 2.714 739 D HA 0.204 4.850 4.640 0.010 0.000 0.264 739 D C 0.140 176.462 176.300 0.037 0.000 1.231 739 D CA -0.180 53.877 54.000 0.095 0.000 0.802 739 D CB 0.190 41.055 40.800 0.109 0.000 1.319 739 D HN 0.377 nan 8.370 nan 0.000 0.528 740 Y N 0.767 121.113 120.300 0.078 0.000 2.200 740 Y HA -0.113 4.443 4.550 0.010 0.000 0.290 740 Y C 2.330 178.259 175.900 0.048 0.000 1.137 740 Y CA 1.239 59.380 58.100 0.069 0.000 1.163 740 Y CB -0.075 38.411 38.460 0.045 0.000 0.988 740 Y HN 0.353 nan 8.280 nan 0.000 0.518 741 N N 0.509 119.255 118.700 0.077 0.000 2.521 741 N HA -0.205 4.540 4.740 0.010 0.000 0.188 741 N C 0.108 175.252 175.510 -0.610 0.000 1.146 741 N CA 0.778 53.682 53.050 -0.242 0.000 0.893 741 N CB -1.412 36.964 38.487 -0.184 0.000 0.975 741 N HN 0.663 nan 8.380 nan 0.000 0.451 742 Y N -0.891 119.422 120.300 0.021 0.000 3.396 742 Y HA -0.287 4.269 4.550 0.011 0.000 0.214 742 Y C -0.020 175.870 175.900 -0.017 0.000 1.203 742 Y CA 0.179 58.274 58.100 -0.009 0.000 1.401 742 Y CB -3.017 35.421 38.460 -0.036 0.000 1.409 742 Y HN 0.286 nan 8.280 nan 0.000 0.594 743 D N -0.059 120.319 120.400 -0.037 0.000 2.349 743 D HA 0.272 4.918 4.640 0.010 0.000 0.214 743 D C 1.815 178.128 176.300 0.023 0.000 1.063 743 D CA 0.451 54.435 54.000 -0.027 0.000 0.847 743 D CB -0.040 40.715 40.800 -0.075 0.000 0.933 743 D HN 1.173 nan 8.370 nan 0.000 0.513 744 G N 0.345 109.171 108.800 0.043 0.000 2.168 744 G HA2 -0.258 3.707 3.960 0.010 0.000 0.263 744 G HA3 -0.258 3.707 3.960 0.010 0.000 0.263 744 G C -0.036 174.908 174.900 0.073 0.000 0.977 744 G CA 0.682 45.820 45.100 0.063 0.000 0.659 744 G HN 0.435 nan 8.290 nan 0.000 0.533 745 L N -0.829 120.418 121.223 0.040 0.000 2.341 745 L HA 0.596 4.942 4.340 0.010 0.000 0.267 745 L C 1.010 177.892 176.870 0.020 0.000 1.009 745 L CA -1.342 53.517 54.840 0.032 0.000 0.819 745 L CB 1.534 43.592 42.059 -0.003 0.000 1.323 745 L HN 0.141 nan 8.230 nan 0.000 0.425 746 R N 1.362 121.863 120.500 0.001 0.000 2.486 746 R HA -0.026 4.319 4.340 0.010 0.000 0.303 746 R C -0.933 175.336 176.300 -0.052 0.000 0.958 746 R CA -0.168 55.905 56.100 -0.044 0.000 1.077 746 R CB 0.112 30.329 30.300 -0.138 0.000 0.921 746 R HN 0.506 nan 8.270 nan 0.000 0.406 747 D N 2.524 122.918 120.400 -0.009 0.000 2.382 747 D HA 0.057 4.703 4.640 0.010 0.000 0.245 747 D C 0.265 176.550 176.300 -0.025 0.000 1.120 747 D CA 0.254 54.261 54.000 0.011 0.000 0.890 747 D CB 1.391 42.252 40.800 0.101 0.000 1.201 747 D HN 0.593 nan 8.370 nan 0.000 0.433 748 T N -1.137 113.416 114.554 -0.003 0.000 2.847 748 T HA 0.172 4.528 4.350 0.010 0.000 0.279 748 T C 1.159 175.895 174.700 0.059 0.000 0.984 748 T CA -0.726 61.389 62.100 0.025 0.000 0.988 748 T CB 1.195 70.067 68.868 0.007 0.000 1.040 748 T HN 0.179 nan 8.240 nan 0.000 0.528 749 E N 0.596 120.838 120.200 0.070 0.000 2.171 749 E HA -0.170 4.186 4.350 0.010 0.000 0.197 749 E C 1.537 178.148 176.600 0.020 0.000 0.997 749 E CA 1.439 57.854 56.400 0.026 0.000 0.810 749 E CB -0.139 29.511 29.700 -0.083 0.000 0.738 749 E HN 0.677 nan 8.360 nan 0.000 0.467 750 D N 0.195 120.598 120.400 0.005 0.000 2.269 750 D HA -0.093 4.552 4.640 0.010 0.000 0.208 750 D C 1.092 177.382 176.300 -0.018 0.000 0.963 750 D CA 0.547 54.544 54.000 -0.004 0.000 0.864 750 D CB 0.057 40.851 40.800 -0.010 0.000 0.936 750 D HN 0.336 nan 8.370 nan 0.000 0.505 751 E N 0.218 120.405 120.200 -0.022 0.000 2.479 751 E HA 0.044 4.400 4.350 0.010 0.000 0.193 751 E C 0.413 176.940 176.600 -0.121 0.000 1.049 751 E CA -0.139 56.238 56.400 -0.039 0.000 0.870 751 E CB 0.714 30.413 29.700 -0.002 0.000 0.944 751 E HN 0.138 nan 8.360 nan 0.000 0.492 752 I N 1.829 122.303 120.570 -0.160 0.000 2.471 752 I HA -0.001 4.175 4.170 0.010 0.000 0.286 752 I C 1.097 176.915 176.117 -0.498 0.000 1.079 752 I CA 0.365 61.427 61.300 -0.397 0.000 1.398 752 I CB 0.908 38.724 38.000 -0.307 0.000 1.403 752 I HN -0.070 nan 8.210 nan 0.000 0.530 753 K N 4.465 124.267 120.400 -0.996 0.000 2.360 753 K HA 0.217 4.543 4.320 0.010 0.000 0.196 753 K C 0.351 176.770 176.600 -0.301 0.000 1.049 753 K CA 0.186 56.141 56.287 -0.554 0.000 1.049 753 K CB 0.946 33.170 32.500 -0.459 0.000 0.881 753 K HN 0.573 nan 8.250 nan 0.000 0.542 754 Q N -0.239 119.335 119.800 -0.377 0.000 2.331 754 Q HA 0.398 4.744 4.340 0.010 0.000 0.272 754 Q C -1.669 174.189 176.000 -0.236 0.000 1.062 754 Q CA -0.604 55.152 55.803 -0.078 0.000 0.806 754 Q CB 1.751 30.573 28.738 0.140 0.000 1.312 754 Q HN -0.055 nan 8.270 nan 0.000 0.431 755 Y N 0.026 120.356 120.300 0.050 0.000 2.605 755 Y HA 0.425 4.981 4.550 0.010 0.000 0.343 755 Y C -0.365 175.546 175.900 0.017 0.000 1.036 755 Y CA -1.023 57.100 58.100 0.039 0.000 1.065 755 Y CB 1.683 40.144 38.460 0.002 0.000 1.288 755 Y HN 0.274 nan 8.280 nan 0.000 0.481 756 V N 1.744 121.748 119.914 0.150 0.000 2.446 756 V HA -0.034 4.091 4.120 0.010 0.000 0.276 756 V C 0.327 176.423 176.094 0.003 0.000 1.030 756 V CA -0.377 61.928 62.300 0.009 0.000 1.033 756 V CB 0.292 32.018 31.823 -0.162 0.000 0.993 756 V HN 0.720 nan 8.190 nan 0.000 0.477 757 E N 4.204 124.411 120.200 0.011 0.000 3.471 757 E HA -0.063 4.293 4.350 0.010 0.000 0.240 757 E C 1.301 177.891 176.600 -0.018 0.000 0.916 757 E CA 0.932 57.337 56.400 0.010 0.000 0.943 757 E CB -0.467 29.244 29.700 0.018 0.000 0.889 757 E HN 1.136 nan 8.360 nan 0.000 0.575 758 G N 2.733 111.522 108.800 -0.018 0.000 2.141 758 G HA2 -0.287 3.679 3.960 0.010 0.000 0.242 758 G HA3 -0.287 3.679 3.960 0.010 0.000 0.242 758 G C 0.037 174.903 174.900 -0.057 0.000 0.982 758 G CA 0.368 45.446 45.100 -0.037 0.000 0.662 758 G HN 0.908 nan 8.290 nan 0.000 0.527 759 S N -1.671 113.994 115.700 -0.058 0.000 2.732 759 S HA 0.794 5.270 4.470 0.010 0.000 0.293 759 S C 0.462 175.008 174.600 -0.090 0.000 1.159 759 S CA 0.558 58.715 58.200 -0.071 0.000 0.847 759 S CB 1.619 64.778 63.200 -0.069 0.000 1.169 759 S HN 1.411 nan 8.310 nan 0.000 0.501 760 S N -0.021 115.626 115.700 -0.088 0.000 2.506 760 S HA 0.430 4.906 4.470 0.010 0.000 0.245 760 S C -0.279 174.426 174.600 0.175 0.000 1.088 760 S CA -0.595 57.528 58.200 -0.129 0.000 1.099 760 S CB -1.088 61.993 63.200 -0.199 0.000 0.805 760 S HN 0.596 nan 8.310 nan 0.000 0.461 761 I N 3.971 124.695 120.570 0.257 0.000 2.297 761 I HA 0.344 4.520 4.170 0.010 0.000 0.291 761 I C -2.268 174.046 176.117 0.328 0.000 1.033 761 I CA -2.443 59.009 61.300 0.252 0.000 1.253 761 I CB 1.164 39.232 38.000 0.112 0.000 1.396 761 I HN 0.094 nan 8.210 nan 0.000 0.476 762 P HA 0.129 nan 4.420 nan 0.000 0.274 762 P C -0.654 176.791 177.300 0.242 0.000 1.237 762 P CA -0.229 62.880 63.100 0.015 0.000 0.793 762 P CB 1.382 33.063 31.700 -0.031 0.000 0.977 763 V N 3.778 123.825 119.914 0.222 0.000 2.347 763 V HA 0.280 4.406 4.120 0.010 0.000 0.280 763 V C -2.101 174.098 176.094 0.176 0.000 1.021 763 V CA -1.991 60.435 62.300 0.210 0.000 0.847 763 V CB 1.035 32.950 31.823 0.154 0.000 0.990 763 V HN 0.532 nan 8.190 nan 0.000 0.444 764 P HA 0.186 nan 4.420 nan 0.000 0.271 764 P C 0.983 177.983 177.300 -0.502 0.000 1.218 764 P CA -0.139 62.410 63.100 -0.919 0.000 0.780 764 P CB 0.651 31.504 31.700 -1.412 0.000 0.901 765 T N -2.004 112.202 114.554 -0.580 0.000 3.035 765 T HA 0.032 4.388 4.350 0.010 0.000 0.259 765 T C 0.555 174.758 174.700 -0.828 0.000 1.078 765 T CA 0.935 62.662 62.100 -0.623 0.000 1.132 765 T CB -0.376 68.083 68.868 -0.682 0.000 0.900 765 T HN 0.412 nan 8.240 nan 0.000 0.480 766 H N -1.059 117.775 119.070 -0.392 0.000 2.990 766 H HA 0.470 5.031 4.556 0.009 0.000 0.343 766 H C -1.839 173.169 175.328 -0.533 0.000 1.270 766 H CA -0.985 54.894 56.048 -0.282 0.000 1.118 766 H CB 1.380 31.077 29.762 -0.109 0.000 1.861 766 H HN 0.122 nan 8.280 nan 0.000 0.544 767 Y N 0.999 121.300 120.300 0.002 0.000 2.346 767 Y HA 0.174 4.729 4.550 0.009 0.000 0.332 767 Y C -0.352 175.635 175.900 0.144 0.000 0.985 767 Y CA -0.981 57.072 58.100 -0.078 0.000 1.112 767 Y CB 1.241 39.508 38.460 -0.322 0.000 1.170 767 Y HN 0.486 nan 8.280 nan 0.000 0.447 768 Y N 0.190 120.630 120.300 0.233 0.000 2.488 768 Y HA 0.855 5.410 4.550 0.009 0.000 0.325 768 Y C -0.339 175.757 175.900 0.327 0.000 1.204 768 Y CA -1.257 56.989 58.100 0.244 0.000 1.229 768 Y CB 1.911 40.465 38.460 0.157 0.000 1.274 768 Y HN 0.444 nan 8.280 nan 0.000 0.493 769 S N 2.085 118.045 115.700 0.435 0.000 2.584 769 S HA 0.562 5.038 4.470 0.010 0.000 0.280 769 S C -1.638 173.128 174.600 0.277 0.000 1.162 769 S CA -0.679 57.730 58.200 0.348 0.000 0.951 769 S CB 0.378 63.807 63.200 0.382 0.000 1.108 769 S HN 0.683 nan 8.310 nan 0.000 0.464 770 I N 4.860 125.534 120.570 0.173 0.000 2.378 770 I HA 0.525 4.701 4.170 0.010 0.000 0.291 770 I C -0.768 175.379 176.117 0.051 0.000 0.992 770 I CA -0.587 60.731 61.300 0.030 0.000 1.154 770 I CB 1.648 39.566 38.000 -0.136 0.000 1.315 770 I HN 0.503 nan 8.210 nan 0.000 0.448 771 I N 5.884 126.473 120.570 0.032 0.000 2.354 771 I HA 0.343 4.519 4.170 0.010 0.000 0.286 771 I C -0.378 175.758 176.117 0.031 0.000 1.007 771 I CA -0.092 61.243 61.300 0.059 0.000 1.167 771 I CB 1.471 39.527 38.000 0.092 0.000 1.320 771 I HN 0.516 nan 8.210 nan 0.000 0.458 772 T N 3.825 118.432 114.554 0.088 0.000 2.856 772 T HA 0.740 5.096 4.350 0.010 0.000 0.283 772 T C -0.157 174.636 174.700 0.156 0.000 1.008 772 T CA -0.778 61.380 62.100 0.096 0.000 0.997 772 T CB 1.840 70.766 68.868 0.097 0.000 0.992 772 T HN 0.676 nan 8.240 nan 0.000 0.454 773 S N 0.065 115.829 115.700 0.107 0.000 2.776 773 S HA 0.599 5.074 4.470 0.010 0.000 0.292 773 S C -0.682 173.975 174.600 0.094 0.000 1.187 773 S CA -0.966 57.309 58.200 0.125 0.000 0.834 773 S CB 0.893 64.151 63.200 0.096 0.000 1.199 773 S HN 0.883 nan 8.310 nan 0.000 0.514 774 c N 1.469 120.126 118.600 0.095 0.000 2.527 774 c HA 0.510 5.086 4.570 0.010 0.000 0.396 774 c C 1.941 176.061 174.090 0.049 0.000 1.289 774 c CA -0.544 55.823 56.329 0.064 0.000 2.047 774 c CB -0.429 42.118 42.510 0.062 0.000 2.568 774 c HN 0.870 nan 8.230 nan 0.000 0.573 775 L N 3.409 124.638 121.223 0.011 0.000 2.083 775 L HA 0.046 4.392 4.340 0.010 0.000 0.209 775 L C 1.019 177.918 176.870 0.048 0.000 1.083 775 L CA 1.842 56.689 54.840 0.012 0.000 0.752 775 L CB -0.469 41.566 42.059 -0.039 0.000 0.899 775 L HN 0.795 nan 8.230 nan 0.000 0.433 776 D N -0.788 119.605 120.400 -0.012 0.000 2.422 776 D HA -0.010 4.636 4.640 0.010 0.000 0.227 776 D C 1.306 177.546 176.300 -0.100 0.000 1.190 776 D CA -0.348 53.581 54.000 -0.119 0.000 0.905 776 D CB 0.039 40.760 40.800 -0.131 0.000 1.034 776 D HN 0.288 nan 8.370 nan 0.000 0.507 777 F N 1.375 121.331 119.950 0.011 0.000 2.373 777 F HA -0.119 4.414 4.527 0.010 0.000 0.300 777 F C 2.011 177.823 175.800 0.021 0.000 1.080 777 F CA 1.052 59.064 58.000 0.019 0.000 1.417 777 F CB -1.404 37.610 39.000 0.023 0.000 1.070 777 F HN 0.270 nan 8.300 nan 0.000 0.546 778 T N -2.620 111.776 114.554 -0.264 0.000 2.995 778 T HA -0.032 4.324 4.350 0.010 0.000 0.269 778 T C 0.715 175.391 174.700 -0.041 0.000 1.091 778 T CA 0.384 62.406 62.100 -0.130 0.000 1.128 778 T CB -0.387 68.348 68.868 -0.223 0.000 0.891 778 T HN 0.507 nan 8.240 nan 0.000 0.492 779 Q N 2.114 121.893 119.800 -0.035 0.000 2.245 779 Q HA 0.428 4.774 4.340 0.010 0.000 0.256 779 Q C -2.749 173.272 176.000 0.034 0.000 0.942 779 Q CA -2.636 53.165 55.803 -0.003 0.000 0.896 779 Q CB 1.627 30.357 28.738 -0.014 0.000 1.272 779 Q HN 0.235 nan 8.270 nan 0.000 0.442 780 P HA 0.050 nan 4.420 nan 0.000 0.274 780 P C -0.253 177.081 177.300 0.056 0.000 1.237 780 P CA -0.029 63.101 63.100 0.051 0.000 0.793 780 P CB 0.658 32.382 31.700 0.040 0.000 0.977 781 A N 1.983 124.845 122.820 0.071 0.000 1.978 781 A HA -0.203 4.123 4.320 0.010 0.000 0.220 781 A C 1.550 179.170 177.584 0.059 0.000 1.170 781 A CA 2.107 54.197 52.037 0.087 0.000 0.636 781 A CB -1.294 17.769 19.000 0.105 0.000 0.810 781 A HN 0.685 nan 8.150 nan 0.000 0.448 782 D N -1.108 119.310 120.400 0.030 0.000 2.349 782 D HA 0.002 4.648 4.640 0.010 0.000 0.215 782 D C 0.716 177.020 176.300 0.007 0.000 1.016 782 D CA 0.630 54.631 54.000 0.001 0.000 0.870 782 D CB -0.125 40.669 40.800 -0.009 0.000 0.917 782 D HN 0.411 nan 8.370 nan 0.000 0.524 783 K N 0.041 120.453 120.400 0.020 0.000 2.934 783 K HA 0.210 4.536 4.320 0.010 0.000 0.210 783 K C -0.699 175.914 176.600 0.022 0.000 1.122 783 K CA -0.440 55.857 56.287 0.017 0.000 1.033 783 K CB 0.694 33.201 32.500 0.012 0.000 0.779 783 K HN 0.024 nan 8.250 nan 0.000 0.459 784 c N 0.800 119.423 118.600 0.037 0.000 2.637 784 c HA 0.088 4.664 4.570 0.010 0.000 0.418 784 c C 1.595 175.703 174.090 0.030 0.000 1.319 784 c CA 0.294 56.648 56.329 0.041 0.000 1.949 784 c CB 0.217 42.773 42.510 0.076 0.000 2.639 784 c HN 0.702 nan 8.230 nan 0.000 0.594 785 D N 1.762 122.171 120.400 0.014 0.000 2.431 785 D HA 0.237 4.883 4.640 0.010 0.000 0.235 785 D C 1.195 177.497 176.300 0.004 0.000 0.980 785 D CA 1.164 55.168 54.000 0.006 0.000 0.912 785 D CB 0.178 40.975 40.800 -0.006 0.000 1.056 785 D HN 0.751 nan 8.370 nan 0.000 0.494 786 G N -0.540 108.257 108.800 -0.004 0.000 3.356 786 G HA2 0.447 4.413 3.960 0.010 0.000 0.178 786 G HA3 0.447 4.413 3.960 0.010 0.000 0.178 786 G C -2.327 172.559 174.900 -0.023 0.000 1.175 786 G CA -0.613 44.478 45.100 -0.015 0.000 0.840 786 G HN 0.013 nan 8.290 nan 0.000 0.658 787 P HA 0.385 nan 4.420 nan 0.000 0.271 787 P C -0.623 176.630 177.300 -0.077 0.000 1.233 787 P CA -0.082 62.972 63.100 -0.077 0.000 0.789 787 P CB 0.603 32.247 31.700 -0.093 0.000 0.951 788 L N -0.294 120.851 121.223 -0.131 0.000 2.304 788 L HA 0.656 5.002 4.340 0.010 0.000 0.268 788 L C 0.433 177.197 176.870 -0.178 0.000 1.010 788 L CA -0.677 54.081 54.840 -0.137 0.000 0.813 788 L CB 1.623 43.551 42.059 -0.218 0.000 1.315 788 L HN 0.263 nan 8.230 nan 0.000 0.445 789 S N 0.082 115.696 115.700 -0.144 0.000 2.513 789 S HA 0.804 5.280 4.470 0.010 0.000 0.299 789 S C -1.242 173.264 174.600 -0.157 0.000 1.087 789 S CA -0.499 57.598 58.200 -0.173 0.000 1.012 789 S CB 1.817 64.964 63.200 -0.088 0.000 1.044 789 S HN 0.398 nan 8.310 nan 0.000 0.485 790 V N 3.083 122.880 119.914 -0.194 0.000 3.114 790 V HA 0.938 5.064 4.120 0.010 0.000 0.308 790 V C -1.495 174.569 176.094 -0.050 0.000 1.168 790 V CA -0.204 62.032 62.300 -0.106 0.000 1.015 790 V CB 2.524 34.299 31.823 -0.079 0.000 1.050 790 V HN 1.168 nan 8.190 nan 0.000 0.433 791 S N 2.514 118.148 115.700 -0.110 0.000 2.626 791 S HA 0.737 5.213 4.470 0.010 0.000 0.275 791 S C -1.032 173.316 174.600 -0.419 0.000 1.175 791 S CA -0.564 57.484 58.200 -0.253 0.000 0.982 791 S CB 1.483 64.416 63.200 -0.444 0.000 1.093 791 S HN 0.802 nan 8.310 nan 0.000 0.472 792 S N 1.859 117.262 115.700 -0.495 0.000 2.638 792 S HA 0.957 5.433 4.470 0.010 0.000 0.302 792 S C -1.354 172.798 174.600 -0.745 0.000 1.096 792 S CA -0.702 57.201 58.200 -0.495 0.000 0.953 792 S CB 0.716 63.828 63.200 -0.147 0.000 1.107 792 S HN 0.680 nan 8.310 nan 0.000 0.503 793 F N 0.075 120.104 119.950 0.131 0.000 2.631 793 F HA 0.599 5.131 4.527 0.009 0.000 0.308 793 F C -0.692 175.214 175.800 0.176 0.000 1.097 793 F CA -0.874 57.211 58.000 0.142 0.000 0.952 793 F CB 1.197 40.257 39.000 0.101 0.000 1.307 793 F HN 0.289 nan 8.300 nan 0.000 0.450 794 I N 3.510 124.297 120.570 0.362 0.000 2.563 794 I HA 0.289 4.465 4.170 0.010 0.000 0.276 794 I C -1.227 175.055 176.117 0.276 0.000 1.074 794 I CA -0.184 61.276 61.300 0.267 0.000 1.124 794 I CB 0.985 39.048 38.000 0.105 0.000 1.225 794 I HN 0.356 nan 8.210 nan 0.000 0.482 795 L N 7.730 129.138 121.223 0.308 0.000 2.290 795 L HA 0.397 4.743 4.340 0.010 0.000 0.284 795 L C -2.007 175.058 176.870 0.326 0.000 1.078 795 L CA -1.630 53.368 54.840 0.264 0.000 0.815 795 L CB 0.639 42.915 42.059 0.361 0.000 1.162 795 L HN 0.237 nan 8.230 nan 0.000 0.435 796 P HA -0.038 nan 4.420 nan 0.000 0.275 796 P C -0.807 176.564 177.300 0.117 0.000 1.227 796 P CA -0.065 63.158 63.100 0.205 0.000 0.781 796 P CB 0.493 32.296 31.700 0.172 0.000 0.906 797 H N 4.670 123.593 119.070 -0.244 0.000 2.855 797 H HA 0.156 4.718 4.556 0.010 0.000 0.238 797 H C -0.154 175.116 175.328 -0.097 0.000 1.847 797 H CA -0.547 55.284 56.048 -0.362 0.000 1.368 797 H CB 0.104 29.627 29.762 -0.398 0.000 1.758 797 H HN 0.129 nan 8.280 nan 0.000 0.546 798 R N 2.987 123.440 120.500 -0.079 0.000 2.457 798 R HA 0.159 4.505 4.340 0.010 0.000 0.284 798 R C -1.910 174.168 176.300 -0.370 0.000 1.024 798 R CA -1.978 53.993 56.100 -0.216 0.000 1.025 798 R CB 1.125 31.345 30.300 -0.134 0.000 1.063 798 R HN 0.527 nan 8.270 nan 0.000 0.493 799 P HA 0.062 nan 4.420 nan 0.000 0.257 799 P C -1.020 176.075 177.300 -0.342 0.000 1.281 799 P CA 0.312 62.905 63.100 -0.845 0.000 0.826 799 P CB 0.219 31.206 31.700 -1.188 0.000 1.237 800 D N -2.339 117.922 120.400 -0.233 0.000 2.655 800 D HA 0.204 4.849 4.640 0.010 0.000 0.229 800 D C -0.460 175.763 176.300 -0.129 0.000 1.229 800 D CA -0.827 53.077 54.000 -0.159 0.000 0.807 800 D CB 0.070 40.765 40.800 -0.175 0.000 1.514 800 D HN -0.356 nan 8.370 nan 0.000 0.444 801 N N 0.925 119.540 118.700 -0.142 0.000 2.839 801 N HA 0.118 4.864 4.740 0.010 0.000 0.314 801 N C -0.440 174.935 175.510 -0.225 0.000 1.449 801 N CA -0.137 52.809 53.050 -0.172 0.000 1.050 801 N CB 0.654 38.990 38.487 -0.252 0.000 1.364 801 N HN 0.392 nan 8.380 nan 0.000 0.512 802 D N 0.375 120.660 120.400 -0.191 0.000 2.269 802 D HA -0.119 4.527 4.640 0.010 0.000 0.208 802 D C 1.555 177.737 176.300 -0.198 0.000 0.963 802 D CA 0.679 54.561 54.000 -0.197 0.000 0.864 802 D CB 0.441 41.130 40.800 -0.184 0.000 0.936 802 D HN 0.492 nan 8.370 nan 0.000 0.505 803 E N 0.325 120.425 120.200 -0.168 0.000 2.110 803 E HA -0.061 4.295 4.350 0.010 0.000 0.193 803 E C -0.082 176.456 176.600 -0.102 0.000 0.988 803 E CA 0.526 56.847 56.400 -0.132 0.000 0.804 803 E CB 0.294 29.987 29.700 -0.012 0.000 0.745 803 E HN -0.034 nan 8.360 nan 0.000 0.458 804 S N 0.036 115.657 115.700 -0.133 0.000 2.410 804 S HA 0.092 4.568 4.470 0.010 0.000 0.304 804 S C 0.501 174.942 174.600 -0.265 0.000 1.095 804 S CA -0.788 57.315 58.200 -0.162 0.000 1.089 804 S CB 1.248 64.332 63.200 -0.193 0.000 0.968 804 S HN 0.301 nan 8.310 nan 0.000 0.480 805 c N 2.318 120.798 118.600 -0.200 0.000 2.448 805 c HA 0.047 4.623 4.570 0.010 0.000 0.280 805 c C 1.847 175.799 174.090 -0.230 0.000 1.398 805 c CA -0.025 56.180 56.329 -0.206 0.000 1.774 805 c CB -1.024 41.384 42.510 -0.170 0.000 1.888 805 c HN 0.766 nan 8.230 nan 0.000 0.519 806 N N 1.057 119.611 118.700 -0.244 0.000 2.251 806 N HA -0.002 4.744 4.740 0.010 0.000 0.217 806 N C 1.458 176.646 175.510 -0.537 0.000 1.124 806 N CA 0.373 53.279 53.050 -0.240 0.000 0.843 806 N CB 0.128 38.572 38.487 -0.072 0.000 1.024 806 N HN 0.631 nan 8.380 nan 0.000 0.501 807 S N -0.208 114.966 115.700 -0.875 0.000 2.500 807 S HA -0.126 4.350 4.470 0.010 0.000 0.239 807 S C 2.011 176.160 174.600 -0.752 0.000 0.989 807 S CA 1.006 58.300 58.200 -1.510 0.000 0.951 807 S CB -0.261 62.176 63.200 -1.272 0.000 0.759 807 S HN 0.323 nan 8.310 nan 0.000 0.523 808 S N 0.741 116.198 115.700 -0.406 0.000 2.436 808 S HA 0.076 4.552 4.470 0.010 0.000 0.228 808 S C 0.764 175.309 174.600 -0.092 0.000 1.014 808 S CA -0.008 58.072 58.200 -0.199 0.000 0.950 808 S CB -0.291 62.817 63.200 -0.154 0.000 0.784 808 S HN 0.461 nan 8.310 nan 0.000 0.504 809 E N 1.950 122.112 120.200 -0.063 0.000 2.342 809 E HA 0.275 4.631 4.350 0.010 0.000 0.257 809 E C -0.658 176.076 176.600 0.223 0.000 1.150 809 E CA -0.443 55.994 56.400 0.061 0.000 0.926 809 E CB 0.216 29.957 29.700 0.070 0.000 1.074 809 E HN 0.334 nan 8.360 nan 0.000 0.449 810 D N 0.168 120.649 120.400 0.134 0.000 2.449 810 D HA -0.066 4.580 4.640 0.010 0.000 0.236 810 D C 0.714 176.980 176.300 -0.057 0.000 1.149 810 D CA 0.298 54.334 54.000 0.060 0.000 0.878 810 D CB 0.666 41.451 40.800 -0.025 0.000 1.198 810 D HN 0.225 nan 8.370 nan 0.000 0.446 811 E N 0.409 120.402 120.200 -0.346 0.000 2.147 811 E HA -0.199 4.157 4.350 0.010 0.000 0.199 811 E C 1.657 177.498 176.600 -1.265 0.000 1.005 811 E CA 1.474 57.213 56.400 -1.102 0.000 0.810 811 E CB -0.150 28.885 29.700 -1.107 0.000 0.736 811 E HN 0.470 nan 8.360 nan 0.000 0.460 812 S N -0.413 114.816 115.700 -0.785 0.000 2.727 812 S HA 0.027 4.503 4.470 0.010 0.000 0.226 812 S C 1.189 175.629 174.600 -0.266 0.000 0.963 812 S CA 0.326 58.254 58.200 -0.454 0.000 0.950 812 S CB 0.094 63.204 63.200 -0.149 0.000 0.779 812 S HN 0.057 nan 8.310 nan 0.000 0.532 813 K N 0.115 120.352 120.400 -0.272 0.000 2.474 813 K HA 0.197 4.523 4.320 0.010 0.000 0.204 813 K C 1.243 177.853 176.600 0.017 0.000 1.220 813 K CA 0.501 56.748 56.287 -0.065 0.000 0.966 813 K CB 0.255 32.785 32.500 0.050 0.000 1.049 813 K HN 0.751 nan 8.250 nan 0.000 0.554 814 W N -0.461 120.741 121.300 -0.164 0.000 2.974 814 W HA 0.179 4.845 4.660 0.010 0.000 0.250 814 W C 1.112 177.548 176.519 -0.138 0.000 1.074 814 W CA -0.066 57.198 57.345 -0.134 0.000 1.410 814 W CB -0.754 28.631 29.460 -0.124 0.000 0.846 814 W HN -0.321 nan 8.180 nan 0.000 0.680 815 V N 2.492 121.922 119.914 -0.807 0.000 2.233 815 V HA -0.324 3.802 4.120 0.010 0.000 0.247 815 V C 2.533 178.468 176.094 -0.264 0.000 1.050 815 V CA 2.771 64.664 62.300 -0.678 0.000 1.010 815 V CB -0.953 30.291 31.823 -0.965 0.000 0.637 815 V HN 0.129 nan 8.190 nan 0.000 0.444 816 E N -0.569 119.511 120.200 -0.201 0.000 2.160 816 E HA -0.284 4.072 4.350 0.010 0.000 0.195 816 E C 2.279 178.814 176.600 -0.107 0.000 0.991 816 E CA 1.427 57.760 56.400 -0.111 0.000 0.810 816 E CB -0.024 29.649 29.700 -0.046 0.000 0.742 816 E HN 0.684 nan 8.360 nan 0.000 0.466 817 E N 0.214 120.374 120.200 -0.066 0.000 2.150 817 E HA -0.184 4.171 4.350 0.010 0.000 0.193 817 E C 2.115 178.727 176.600 0.019 0.000 0.985 817 E CA 0.483 56.868 56.400 -0.026 0.000 0.814 817 E CB 0.048 29.757 29.700 0.014 0.000 0.752 817 E HN 0.112 nan 8.360 nan 0.000 0.466 818 L N 0.315 121.572 121.223 0.056 0.000 2.093 818 L HA -0.127 4.219 4.340 0.010 0.000 0.208 818 L C 2.071 179.028 176.870 0.145 0.000 1.085 818 L CA 1.534 56.460 54.840 0.144 0.000 0.755 818 L CB -0.198 41.961 42.059 0.166 0.000 0.904 818 L HN 0.203 nan 8.230 nan 0.000 0.435 819 M N -0.868 118.717 119.600 -0.026 0.000 2.117 819 M HA -0.221 4.265 4.480 0.010 0.000 0.262 819 M C 2.216 178.550 176.300 0.057 0.000 1.065 819 M CA 1.701 56.909 55.300 -0.153 0.000 1.114 819 M CB -0.649 31.632 32.600 -0.532 0.000 1.361 819 M HN 0.204 nan 8.290 nan 0.000 0.408 820 K N -0.028 120.362 120.400 -0.017 0.000 2.147 820 K HA -0.137 4.189 4.320 0.010 0.000 0.205 820 K C 1.930 178.611 176.600 0.135 0.000 1.049 820 K CA 1.265 57.539 56.287 -0.021 0.000 0.936 820 K CB -0.184 32.135 32.500 -0.301 0.000 0.722 820 K HN 0.130 nan 8.250 nan 0.000 0.446 821 M N 0.188 119.849 119.600 0.102 0.000 2.200 821 M HA -0.091 4.395 4.480 0.010 0.000 0.265 821 M C 0.907 177.168 176.300 -0.065 0.000 1.066 821 M CA 1.711 57.024 55.300 0.022 0.000 1.127 821 M CB 0.183 32.792 32.600 0.015 0.000 1.379 821 M HN 0.080 nan 8.290 nan 0.000 0.420 822 H N -0.180 118.980 119.070 0.151 0.000 2.640 822 H HA 0.179 4.741 4.556 0.010 0.000 0.312 822 H C 0.028 175.516 175.328 0.267 0.000 1.110 822 H CA 0.027 56.178 56.048 0.172 0.000 1.098 822 H CB -0.596 29.270 29.762 0.173 0.000 1.485 822 H HN 0.243 nan 8.280 nan 0.000 0.526 823 T N 0.837 115.589 114.554 0.330 0.000 2.898 823 T HA 0.471 4.827 4.350 0.010 0.000 0.301 823 T C 0.029 174.812 174.700 0.139 0.000 1.049 823 T CA -0.347 61.931 62.100 0.297 0.000 1.095 823 T CB 0.571 69.636 68.868 0.329 0.000 0.976 823 T HN 0.523 nan 8.240 nan 0.000 0.539 824 A N 3.937 126.793 122.820 0.060 0.000 2.609 824 A HA 0.744 5.070 4.320 0.010 0.000 0.291 824 A C -0.608 176.987 177.584 0.018 0.000 1.096 824 A CA -0.989 51.075 52.037 0.045 0.000 0.684 824 A CB 1.357 20.395 19.000 0.063 0.000 1.282 824 A HN 0.860 nan 8.150 nan 0.000 0.412 825 R N -0.034 120.495 120.500 0.049 0.000 2.543 825 R HA 0.444 4.790 4.340 0.010 0.000 0.268 825 R C 0.837 177.165 176.300 0.047 0.000 1.067 825 R CA -0.595 55.539 56.100 0.057 0.000 1.142 825 R CB 0.762 31.112 30.300 0.084 0.000 1.110 825 R HN 0.401 nan 8.270 nan 0.000 0.549 826 V N 1.486 121.435 119.914 0.059 0.000 2.427 826 V HA -0.206 3.920 4.120 0.010 0.000 0.248 826 V C 2.282 178.410 176.094 0.058 0.000 1.051 826 V CA 1.527 63.861 62.300 0.058 0.000 1.048 826 V CB -0.543 31.356 31.823 0.128 0.000 0.666 826 V HN 0.616 nan 8.190 nan 0.000 0.456 827 R N 0.371 120.888 120.500 0.028 0.000 2.120 827 R HA -0.141 4.205 4.340 0.010 0.000 0.234 827 R C 1.957 178.128 176.300 -0.215 0.000 1.123 827 R CA 1.437 57.478 56.100 -0.097 0.000 0.975 827 R CB -0.761 29.518 30.300 -0.034 0.000 0.866 827 R HN 0.582 nan 8.270 nan 0.000 0.446 828 D N 0.475 120.872 120.400 -0.006 0.000 2.117 828 D HA -0.098 4.548 4.640 0.010 0.000 0.198 828 D C 2.040 178.352 176.300 0.020 0.000 0.982 828 D CA 0.925 54.978 54.000 0.089 0.000 0.828 828 D CB -0.113 40.767 40.800 0.132 0.000 0.967 828 D HN 0.220 nan 8.370 nan 0.000 0.464 829 I N 1.284 121.840 120.570 -0.023 0.000 2.252 829 I HA -0.201 3.975 4.170 0.010 0.000 0.245 829 I C 2.279 178.359 176.117 -0.063 0.000 1.102 829 I CA 0.964 62.212 61.300 -0.087 0.000 1.385 829 I CB -0.157 37.738 38.000 -0.176 0.000 1.064 829 I HN -0.061 nan 8.210 nan 0.000 0.414 830 E N -0.040 120.137 120.200 -0.038 0.000 2.118 830 E HA -0.241 4.115 4.350 0.010 0.000 0.195 830 E C 2.065 178.625 176.600 -0.067 0.000 0.992 830 E CA 1.108 57.451 56.400 -0.096 0.000 0.804 830 E CB -0.130 29.486 29.700 -0.139 0.000 0.741 830 E HN 0.589 nan 8.360 nan 0.000 0.458 831 H N -0.041 119.052 119.070 0.040 0.000 2.403 831 H HA 0.015 4.577 4.556 0.009 0.000 0.298 831 H C 2.144 177.481 175.328 0.014 0.000 1.059 831 H CA 0.756 56.827 56.048 0.039 0.000 1.363 831 H CB -0.061 29.746 29.762 0.075 0.000 1.410 831 H HN 0.136 nan 8.280 nan 0.000 0.528 832 L N 0.493 121.783 121.223 0.112 0.000 2.341 832 L HA -0.045 4.300 4.340 0.010 0.000 0.214 832 L C 2.203 179.084 176.870 0.019 0.000 1.115 832 L CA 1.410 56.282 54.840 0.052 0.000 0.820 832 L CB -0.039 42.033 42.059 0.023 0.000 0.944 832 L HN 0.360 nan 8.230 nan 0.000 0.452 833 T N -5.459 109.096 114.554 0.001 0.000 3.026 833 T HA 0.249 4.605 4.350 0.010 0.000 0.245 833 T C 1.451 176.181 174.700 0.050 0.000 1.004 833 T CA 0.497 62.608 62.100 0.018 0.000 1.069 833 T CB 0.557 69.420 68.868 -0.008 0.000 1.005 833 T HN 0.240 nan 8.240 nan 0.000 0.472 834 G N 1.656 110.476 108.800 0.035 0.000 2.182 834 G HA2 -0.154 3.812 3.960 0.010 0.000 0.248 834 G HA3 -0.154 3.812 3.960 0.010 0.000 0.248 834 G C -0.241 174.703 174.900 0.075 0.000 1.042 834 G CA 0.228 45.390 45.100 0.103 0.000 0.775 834 G HN 0.657 nan 8.290 nan 0.000 0.501 835 L N -0.736 120.411 121.223 -0.127 0.000 2.322 835 L HA 0.754 5.100 4.340 0.010 0.000 0.269 835 L C -0.268 176.259 176.870 -0.572 0.000 1.012 835 L CA -0.988 53.627 54.840 -0.375 0.000 0.815 835 L CB 2.019 43.735 42.059 -0.572 0.000 1.295 835 L HN 0.127 nan 8.230 nan 0.000 0.438 836 D N 0.294 120.343 120.400 -0.584 0.000 2.505 836 D HA 0.477 5.123 4.640 0.010 0.000 0.250 836 D C -0.958 175.075 176.300 -0.446 0.000 1.164 836 D CA -0.294 53.454 54.000 -0.420 0.000 0.870 836 D CB 0.893 41.608 40.800 -0.142 0.000 1.160 836 D HN 0.052 nan 8.370 nan 0.000 0.549 837 F N 2.111 122.010 119.950 -0.085 0.000 2.362 837 F HA 0.353 4.885 4.527 0.009 0.000 0.311 837 F C 0.281 176.059 175.800 -0.036 0.000 1.161 837 F CA -0.718 57.168 58.000 -0.190 0.000 1.085 837 F CB 0.281 39.051 39.000 -0.384 0.000 1.311 837 F HN 0.300 nan 8.300 nan 0.000 0.524 838 Y N -0.138 120.302 120.300 0.233 0.000 3.057 838 Y HA -0.222 4.334 4.550 0.009 0.000 0.192 838 Y C 1.332 177.325 175.900 0.155 0.000 1.448 838 Y CA -0.360 57.838 58.100 0.163 0.000 1.065 838 Y CB -1.399 37.106 38.460 0.075 0.000 1.369 838 Y HN 0.483 nan 8.280 nan 0.000 0.460 839 R N 0.757 121.393 120.500 0.227 0.000 2.052 839 R HA 0.009 4.355 4.340 0.010 0.000 0.224 839 R C 1.173 177.563 176.300 0.150 0.000 1.149 839 R CA 0.643 56.834 56.100 0.153 0.000 0.962 839 R CB 0.033 30.384 30.300 0.085 0.000 0.856 839 R HN 0.197 nan 8.270 nan 0.000 0.433 840 K N 2.910 123.407 120.400 0.161 0.000 2.257 840 K HA 0.084 4.410 4.320 0.010 0.000 0.270 840 K C -1.121 175.587 176.600 0.180 0.000 1.098 840 K CA 0.214 56.585 56.287 0.139 0.000 0.943 840 K CB 0.480 33.045 32.500 0.110 0.000 1.316 840 K HN 0.187 nan 8.250 nan 0.000 0.447 841 T N -0.925 113.725 114.554 0.161 0.000 2.903 841 T HA 0.191 4.547 4.350 0.010 0.000 0.299 841 T C 0.626 175.389 174.700 0.105 0.000 1.093 841 T CA -0.848 61.350 62.100 0.163 0.000 1.002 841 T CB 1.498 70.470 68.868 0.174 0.000 1.127 841 T HN 0.261 nan 8.240 nan 0.000 0.488 842 S N -0.185 115.569 115.700 0.089 0.000 2.660 842 S HA 0.321 4.796 4.470 0.010 0.000 0.227 842 S C 0.502 175.128 174.600 0.043 0.000 0.948 842 S CA -0.598 57.636 58.200 0.058 0.000 0.948 842 S CB -0.324 62.906 63.200 0.050 0.000 0.779 842 S HN 0.663 nan 8.310 nan 0.000 0.487 843 R N 0.968 121.496 120.500 0.046 0.000 2.856 843 R HA 0.641 4.986 4.340 0.010 0.000 0.258 843 R C -0.388 175.936 176.300 0.040 0.000 1.066 843 R CA -0.410 55.704 56.100 0.023 0.000 1.045 843 R CB 1.228 31.524 30.300 -0.007 0.000 1.178 843 R HN 0.204 nan 8.270 nan 0.000 0.499 844 S N 0.903 116.619 115.700 0.027 0.000 2.585 844 S HA 0.004 4.480 4.470 0.010 0.000 0.273 844 S C 0.256 174.911 174.600 0.092 0.000 1.339 844 S CA -0.349 57.883 58.200 0.052 0.000 1.028 844 S CB 0.430 63.645 63.200 0.025 0.000 0.906 844 S HN 0.606 nan 8.310 nan 0.000 0.528 845 Y N 2.091 122.384 120.300 -0.012 0.000 2.373 845 Y HA -0.078 4.478 4.550 0.010 0.000 0.293 845 Y C 2.408 178.306 175.900 -0.002 0.000 1.129 845 Y CA 1.283 59.380 58.100 -0.005 0.000 1.226 845 Y CB -0.469 37.987 38.460 -0.006 0.000 1.000 845 Y HN 0.622 nan 8.280 nan 0.000 0.549 846 S N -0.187 115.482 115.700 -0.053 0.000 2.383 846 S HA -0.157 4.319 4.470 0.010 0.000 0.227 846 S C 1.870 176.406 174.600 -0.106 0.000 1.026 846 S CA 1.269 59.412 58.200 -0.095 0.000 0.981 846 S CB -0.177 63.018 63.200 -0.009 0.000 0.818 846 S HN 0.556 nan 8.310 nan 0.000 0.472 847 E N 0.378 120.524 120.200 -0.090 0.000 2.153 847 E HA -0.095 4.261 4.350 0.010 0.000 0.194 847 E C 1.755 178.257 176.600 -0.164 0.000 0.988 847 E CA 0.752 57.080 56.400 -0.120 0.000 0.811 847 E CB -0.006 29.635 29.700 -0.099 0.000 0.746 847 E HN 0.358 nan 8.360 nan 0.000 0.466 848 I N 0.769 121.237 120.570 -0.170 0.000 2.286 848 I HA -0.226 3.949 4.170 0.010 0.000 0.245 848 I C 2.295 178.292 176.117 -0.201 0.000 1.104 848 I CA 1.161 62.341 61.300 -0.200 0.000 1.397 848 I CB -0.953 36.999 38.000 -0.080 0.000 1.072 848 I HN 0.192 nan 8.210 nan 0.000 0.417 849 L N 0.520 121.583 121.223 -0.266 0.000 2.131 849 L HA -0.208 4.138 4.340 0.010 0.000 0.210 849 L C 2.663 179.484 176.870 -0.082 0.000 1.092 849 L CA 1.861 56.583 54.840 -0.196 0.000 0.759 849 L CB -0.986 40.922 42.059 -0.251 0.000 0.903 849 L HN 0.383 nan 8.230 nan 0.000 0.435 850 T N -2.097 112.409 114.554 -0.080 0.000 2.857 850 T HA -0.172 4.184 4.350 0.010 0.000 0.266 850 T C 1.816 176.499 174.700 -0.028 0.000 1.048 850 T CA 0.775 62.855 62.100 -0.034 0.000 1.139 850 T CB -0.422 68.395 68.868 -0.086 0.000 0.874 850 T HN 0.154 nan 8.240 nan 0.000 0.455 851 L N 0.844 122.006 121.223 -0.102 0.000 2.093 851 L HA 0.173 4.519 4.340 0.010 0.000 0.208 851 L C 2.458 179.312 176.870 -0.027 0.000 1.085 851 L CA 1.651 56.412 54.840 -0.131 0.000 0.755 851 L CB -0.458 41.416 42.059 -0.309 0.000 0.904 851 L HN 0.119 nan 8.230 nan 0.000 0.435 852 K N -1.276 119.120 120.400 -0.007 0.000 2.365 852 K HA -0.047 4.279 4.320 0.010 0.000 0.199 852 K C 1.458 178.106 176.600 0.080 0.000 1.045 852 K CA 1.417 57.746 56.287 0.070 0.000 0.962 852 K CB -0.107 32.439 32.500 0.077 0.000 0.759 852 K HN 0.570 nan 8.250 nan 0.000 0.469 853 T N -2.984 111.619 114.554 0.082 0.000 3.069 853 T HA 0.022 4.378 4.350 0.010 0.000 0.252 853 T C 0.318 175.087 174.700 0.115 0.000 1.053 853 T CA -0.491 61.667 62.100 0.096 0.000 0.964 853 T CB -0.253 68.667 68.868 0.087 0.000 1.005 853 T HN 0.055 nan 8.240 nan 0.000 0.532 854 Y N 1.828 122.130 120.300 0.004 0.000 2.511 854 Y HA 0.474 5.031 4.550 0.011 0.000 0.332 854 Y C -0.419 175.485 175.900 0.007 0.000 1.177 854 Y CA -1.323 56.773 58.100 -0.005 0.000 1.422 854 Y CB 0.509 38.947 38.460 -0.037 0.000 1.271 854 Y HN 0.214 nan 8.280 nan 0.000 0.550 855 L N 6.804 127.652 121.223 -0.625 0.000 2.372 855 L HA 0.321 4.667 4.340 0.010 0.000 0.274 855 L C -1.500 174.976 176.870 -0.656 0.000 0.988 855 L CA -0.574 54.019 54.840 -0.412 0.000 0.833 855 L CB 0.986 42.940 42.059 -0.175 0.000 1.236 855 L HN 0.763 nan 8.230 nan 0.000 0.410 856 H N 2.186 120.990 119.070 -0.442 0.000 2.934 856 H HA 0.218 4.780 4.556 0.010 0.000 0.273 856 H C 0.984 176.120 175.328 -0.319 0.000 1.121 856 H CA 0.815 56.627 56.048 -0.393 0.000 1.451 856 H CB 0.939 30.492 29.762 -0.348 0.000 1.469 856 H HN 0.811 nan 8.280 nan 0.000 0.476 857 T N 1.208 115.599 114.554 -0.273 0.000 3.051 857 T HA 0.059 4.415 4.350 0.010 0.000 0.255 857 T C 0.030 174.850 174.700 0.200 0.000 1.085 857 T CA 0.156 62.254 62.100 -0.003 0.000 1.109 857 T CB -0.128 68.721 68.868 -0.031 0.000 0.921 857 T HN 0.659 nan 8.240 nan 0.000 0.488 858 Y N 0.000 120.340 120.300 0.067 0.000 2.660 858 Y HA 0.000 4.555 4.550 0.009 0.000 0.201 858 Y CA 0.000 58.178 58.100 0.130 0.000 1.940 858 Y CB 0.000 38.575 38.460 0.192 0.000 1.050 858 Y HN 0.000 nan 8.280 nan 0.000 0.758