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 2g63_1_C DATA FIRST_RESID 39 DATA SEQUENCE SRKTYTLTDY LKNTYRLKLY SLRWISDHEY LYKQENNILV FNAEYGNSSV DATA SEQUENCE FLENSTFDEF GHSINDYSIS PDGQFILLEY NYVKQWRHSY TASYDIYDLN DATA SEQUENCE KRQLITEERI PNNTQWVTWS PVGHKLAYVW NNDIYVKIEP NLPSYRITWT DATA SEQUENCE GKEDIIYNGI TDWVYEEEVF SAYSALWWSP NGTFLAYAQF NDTEVPLIEY DATA SEQUENCE SFYSDESLQY PKTVRVPYPK AGAVNPTVKF FVVNTDSLSS VTNATSIQIT DATA SEQUENCE APASMLIGDH YLCDVTWATQ ERISLQWLRR IQNYSVMDIc DYDESSGRWN DATA SEQUENCE cLVARQHIEM STTGWVGRFR PSEPHFTLDG NSFYKIISNE EGYRHIcYFQ DATA SEQUENCE IDKKDcTFIT KGTWEVIGIE ALTSDYLYYI SNEYKGMPGG RNLYKIQLSD DATA SEQUENCE YTKVTCLSCE LNPERcQYYS VSFSKEAKYY QLRcSGPGLP LYTLHSSVND DATA SEQUENCE KGLRVLEDNS ALDKMLQNVQ MPSKKLDFII LNETKFWYQM ILPPHFDKSK DATA SEQUENCE KYPLLLDVYA GPCSQKADTV FRLNWATYLA STENIIVASF DGRGSGYQGD DATA SEQUENCE KIMHAINRRL GTFEVEDQIE AARQFSKMGF VDNKRIAIWG WSYGGYVTSM DATA SEQUENCE VLGSGSGVFK cGIAVAPVSR WEYYDSVYTE RYMGLPTPED NLDHYRNSTV DATA SEQUENCE MSRAENFKQV EYLLIHGTAD DNVHFQQSAQ ISKALVDVGV DFQAMWYTDE DATA SEQUENCE DHGIASSTAH QHIYTHMSHF IKQcFS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 39 S HA 0.000 nan 4.470 nan 0.000 0.327 39 S C 0.000 174.653 174.600 0.088 0.000 1.055 39 S CA 0.000 58.255 58.200 0.091 0.000 1.107 39 S CB 0.000 63.259 63.200 0.099 0.000 0.593 40 R N 2.076 122.623 120.500 0.077 0.000 3.252 40 R HA 0.218 4.553 4.340 -0.009 0.000 0.282 40 R C 0.576 176.925 176.300 0.081 0.000 0.980 40 R CA 0.096 56.241 56.100 0.074 0.000 1.178 40 R CB -0.555 29.787 30.300 0.070 0.000 1.151 40 R HN 0.814 nan 8.270 nan 0.000 0.506 41 K N -0.247 120.204 120.400 0.086 0.000 2.120 41 K HA 0.150 4.464 4.320 -0.009 0.000 0.245 41 K C -0.289 176.371 176.600 0.101 0.000 1.024 41 K CA -0.060 56.284 56.287 0.094 0.000 0.906 41 K CB 0.443 33.005 32.500 0.103 0.000 1.051 41 K HN 0.849 nan 8.250 nan 0.000 0.491 42 T N -2.069 112.552 114.554 0.112 0.000 2.884 42 T HA 0.229 4.573 4.350 -0.009 0.000 0.277 42 T C -0.382 174.435 174.700 0.195 0.000 0.976 42 T CA -0.673 61.504 62.100 0.129 0.000 0.956 42 T CB 0.328 69.268 68.868 0.119 0.000 1.113 42 T HN 0.458 nan 8.240 nan 0.000 0.554 43 Y N 2.384 122.737 120.300 0.088 0.000 2.486 43 Y HA 0.382 4.926 4.550 -0.009 0.000 0.348 43 Y C 0.944 176.990 175.900 0.245 0.000 1.000 43 Y CA -0.403 57.787 58.100 0.149 0.000 1.253 43 Y CB -0.171 38.339 38.460 0.082 0.000 1.140 43 Y HN 1.019 nan 8.280 nan 0.000 0.526 44 T N 2.464 116.986 114.554 -0.054 0.000 2.862 44 T HA 0.145 4.489 4.350 -0.009 0.000 0.276 44 T C 0.950 175.518 174.700 -0.221 0.000 0.974 44 T CA -0.678 61.427 62.100 0.009 0.000 0.966 44 T CB 1.132 69.988 68.868 -0.021 0.000 1.072 44 T HN 0.668 nan 8.240 nan 0.000 0.538 45 L N 0.863 121.801 121.223 -0.475 0.000 2.056 45 L HA 0.042 4.376 4.340 -0.009 0.000 0.207 45 L C 2.616 179.336 176.870 -0.249 0.000 1.078 45 L CA 2.156 56.609 54.840 -0.645 0.000 0.749 45 L CB -1.565 39.994 42.059 -0.833 0.000 0.901 45 L HN 0.955 nan 8.230 nan 0.000 0.433 46 T N -0.502 113.928 114.554 -0.206 0.000 2.788 46 T HA -0.164 4.180 4.350 -0.009 0.000 0.268 46 T C 1.514 176.120 174.700 -0.156 0.000 1.044 46 T CA 1.436 63.449 62.100 -0.146 0.000 1.139 46 T CB -0.418 68.386 68.868 -0.106 0.000 0.867 46 T HN 0.399 nan 8.240 nan 0.000 0.454 47 D N 0.189 120.463 120.400 -0.210 0.000 2.123 47 D HA -0.108 4.526 4.640 -0.009 0.000 0.196 47 D C 1.774 177.981 176.300 -0.155 0.000 0.992 47 D CA 1.152 55.003 54.000 -0.249 0.000 0.833 47 D CB -0.363 40.192 40.800 -0.408 0.000 0.954 47 D HN 0.429 nan 8.370 nan 0.000 0.455 48 Y N 1.573 121.695 120.300 -0.296 0.000 2.133 48 Y HA -0.099 4.445 4.550 -0.009 0.000 0.287 48 Y C 2.243 178.150 175.900 0.011 0.000 1.134 48 Y CA 1.194 59.289 58.100 -0.008 0.000 1.133 48 Y CB -0.657 37.855 38.460 0.085 0.000 0.987 48 Y HN -0.111 nan 8.280 nan 0.000 0.502 49 L N 0.073 121.111 121.223 -0.309 0.000 2.131 49 L HA -0.172 4.162 4.340 -0.009 0.000 0.210 49 L C 1.722 178.479 176.870 -0.187 0.000 1.092 49 L CA 1.316 55.951 54.840 -0.340 0.000 0.759 49 L CB -0.449 41.489 42.059 -0.202 0.000 0.903 49 L HN 0.092 nan 8.230 nan 0.000 0.435 50 K N -0.178 120.138 120.400 -0.140 0.000 2.372 50 K HA 0.074 4.388 4.320 -0.009 0.000 0.200 50 K C 0.029 176.577 176.600 -0.086 0.000 1.022 50 K CA -0.153 56.074 56.287 -0.099 0.000 1.125 50 K CB -0.438 32.007 32.500 -0.093 0.000 0.855 50 K HN 0.270 nan 8.250 nan 0.000 0.524 51 N N 2.048 120.705 118.700 -0.072 0.000 2.699 51 N HA -0.237 4.497 4.740 -0.009 0.000 0.256 51 N C 0.614 176.105 175.510 -0.031 0.000 0.993 51 N CA 0.406 53.456 53.050 -0.000 0.000 0.759 51 N CB -0.230 38.255 38.487 -0.005 0.000 0.906 51 N HN 0.376 nan 8.380 nan 0.000 0.541 52 T N -2.474 112.009 114.554 -0.119 0.000 2.821 52 T HA -0.160 4.184 4.350 -0.009 0.000 0.267 52 T C 0.595 175.070 174.700 -0.375 0.000 1.046 52 T CA 1.097 63.008 62.100 -0.316 0.000 1.139 52 T CB -0.149 68.390 68.868 -0.548 0.000 0.871 52 T HN 0.347 nan 8.240 nan 0.000 0.454 53 Y N 2.128 122.523 120.300 0.159 0.000 2.700 53 Y HA 0.629 5.174 4.550 -0.009 0.000 0.333 53 Y C 0.506 176.512 175.900 0.177 0.000 1.036 53 Y CA -1.691 56.522 58.100 0.189 0.000 1.287 53 Y CB 0.351 38.983 38.460 0.287 0.000 1.132 53 Y HN 0.033 nan 8.280 nan 0.000 0.510 54 R N 2.451 123.078 120.500 0.212 0.000 2.357 54 R HA 0.483 4.817 4.340 -0.009 0.000 0.296 54 R C -1.113 175.291 176.300 0.173 0.000 1.052 54 R CA -0.258 55.940 56.100 0.163 0.000 0.988 54 R CB 0.487 30.842 30.300 0.091 0.000 1.025 54 R HN 0.693 nan 8.270 nan 0.000 0.469 55 L N 4.553 125.878 121.223 0.170 0.000 2.276 55 L HA 0.354 4.688 4.340 -0.009 0.000 0.286 55 L C 0.133 177.078 176.870 0.126 0.000 1.061 55 L CA -0.340 54.602 54.840 0.169 0.000 0.807 55 L CB 1.330 43.513 42.059 0.207 0.000 1.177 55 L HN 0.554 nan 8.230 nan 0.000 0.429 56 K N 4.109 124.577 120.400 0.113 0.000 2.144 56 K HA 0.620 4.934 4.320 -0.009 0.000 0.270 56 K C -0.696 175.939 176.600 0.058 0.000 1.005 56 K CA -0.438 55.892 56.287 0.071 0.000 0.932 56 K CB 1.359 33.897 32.500 0.062 0.000 1.021 56 K HN 0.414 nan 8.250 nan 0.000 0.462 57 L N 1.112 122.298 121.223 -0.063 0.000 2.211 57 L HA 0.509 4.844 4.340 -0.009 0.000 0.259 57 L C -0.970 175.623 176.870 -0.461 0.000 1.031 57 L CA -1.129 53.529 54.840 -0.303 0.000 0.877 57 L CB 0.776 42.765 42.059 -0.117 0.000 1.457 57 L HN 0.546 nan 8.230 nan 0.000 0.466 58 Y N 0.242 120.022 120.300 -0.867 0.000 2.517 58 Y HA 0.316 4.861 4.550 -0.010 0.000 0.328 58 Y C -0.863 174.871 175.900 -0.277 0.000 1.130 58 Y CA -0.608 57.199 58.100 -0.488 0.000 1.280 58 Y CB 1.110 39.160 38.460 -0.683 0.000 1.101 58 Y HN 0.396 nan 8.280 nan 0.000 0.610 59 S N 5.568 121.210 115.700 -0.097 0.000 2.416 59 S HA 0.560 5.024 4.470 -0.009 0.000 0.287 59 S C -0.542 174.036 174.600 -0.037 0.000 1.139 59 S CA -0.511 57.668 58.200 -0.036 0.000 1.058 59 S CB -0.098 63.074 63.200 -0.046 0.000 0.967 59 S HN 0.540 nan 8.310 nan 0.000 0.495 60 L N 1.144 122.325 121.223 -0.070 0.000 2.303 60 L HA 0.806 5.141 4.340 -0.009 0.000 0.266 60 L C -0.155 176.623 176.870 -0.152 0.000 1.011 60 L CA -0.860 53.882 54.840 -0.164 0.000 0.818 60 L CB 0.849 42.513 42.059 -0.658 0.000 1.326 60 L HN 0.305 nan 8.230 nan 0.000 0.435 61 R N 0.871 121.312 120.500 -0.097 0.000 2.468 61 R HA 0.300 4.635 4.340 -0.009 0.000 0.302 61 R C -1.772 174.566 176.300 0.064 0.000 1.041 61 R CA -0.484 55.622 56.100 0.010 0.000 0.899 61 R CB 0.809 31.147 30.300 0.063 0.000 1.167 61 R HN 0.854 nan 8.270 nan 0.000 0.483 62 W N 4.771 126.177 121.300 0.175 0.000 2.193 62 W HA 0.064 4.719 4.660 -0.008 0.000 0.338 62 W C 1.804 178.412 176.519 0.148 0.000 1.310 62 W CA -0.180 57.286 57.345 0.202 0.000 1.243 62 W CB 0.514 30.086 29.460 0.187 0.000 1.165 62 W HN 0.586 nan 8.180 nan 0.000 0.566 63 I N -0.560 120.250 120.570 0.399 0.000 4.439 63 I HA 0.332 4.496 4.170 -0.009 0.000 0.331 63 I C 0.511 176.769 176.117 0.235 0.000 1.345 63 I CA -0.142 61.294 61.300 0.227 0.000 1.193 63 I CB -0.030 38.031 38.000 0.101 0.000 1.221 63 I HN 0.288 nan 8.210 nan 0.000 0.429 64 S N -0.292 115.606 115.700 0.330 0.000 2.873 64 S HA 0.318 4.783 4.470 -0.009 0.000 0.303 64 S C -0.409 174.358 174.600 0.278 0.000 1.222 64 S CA -0.147 58.227 58.200 0.290 0.000 0.923 64 S CB 1.583 64.973 63.200 0.317 0.000 1.286 64 S HN 0.066 nan 8.310 nan 0.000 0.571 65 D N -1.020 119.517 120.400 0.227 0.000 2.340 65 D HA 0.324 4.959 4.640 -0.009 0.000 0.217 65 D C 0.564 176.733 176.300 -0.217 0.000 1.081 65 D CA 0.463 54.412 54.000 -0.085 0.000 0.842 65 D CB 0.011 40.685 40.800 -0.211 0.000 0.934 65 D HN 0.591 nan 8.370 nan 0.000 0.511 66 H N -1.759 117.493 119.070 0.303 0.000 3.794 66 H HA 0.430 4.981 4.556 -0.010 0.000 0.258 66 H C -0.073 175.427 175.328 0.287 0.000 1.120 66 H CA -0.224 56.018 56.048 0.322 0.000 1.166 66 H CB 0.696 30.586 29.762 0.214 0.000 1.517 66 H HN -0.009 nan 8.280 nan 0.000 0.615 67 E N 0.483 120.966 120.200 0.472 0.000 2.359 67 E HA 0.449 4.793 4.350 -0.009 0.000 0.266 67 E C -1.464 175.367 176.600 0.386 0.000 0.920 67 E CA -1.324 55.250 56.400 0.290 0.000 0.788 67 E CB 3.005 32.800 29.700 0.158 0.000 1.279 67 E HN 0.175 nan 8.360 nan 0.000 0.438 68 Y N -1.328 119.021 120.300 0.080 0.000 2.571 68 Y HA 0.552 5.097 4.550 -0.010 0.000 0.341 68 Y C -1.815 174.074 175.900 -0.019 0.000 1.076 68 Y CA -1.310 56.721 58.100 -0.114 0.000 1.029 68 Y CB 0.670 38.691 38.460 -0.731 0.000 1.308 68 Y HN 0.336 nan 8.280 nan 0.000 0.461 69 L N 3.427 124.770 121.223 0.199 0.000 2.307 69 L HA 0.384 4.719 4.340 -0.009 0.000 0.282 69 L C -1.235 175.819 176.870 0.306 0.000 1.051 69 L CA -0.940 53.979 54.840 0.132 0.000 0.804 69 L CB 1.186 43.190 42.059 -0.092 0.000 1.197 69 L HN 0.763 nan 8.230 nan 0.000 0.431 70 Y N 3.445 123.848 120.300 0.172 0.000 2.555 70 Y HA 0.301 4.845 4.550 -0.010 0.000 0.326 70 Y C -0.365 175.527 175.900 -0.014 0.000 0.984 70 Y CA -1.261 56.886 58.100 0.077 0.000 1.298 70 Y CB 0.647 39.238 38.460 0.219 0.000 1.094 70 Y HN 0.425 nan 8.280 nan 0.000 0.500 71 K N 5.322 125.499 120.400 -0.371 0.000 2.412 71 K HA 0.149 4.464 4.320 -0.009 0.000 0.284 71 K C -0.245 176.013 176.600 -0.570 0.000 1.046 71 K CA 0.033 56.097 56.287 -0.372 0.000 0.999 71 K CB 0.778 33.129 32.500 -0.248 0.000 0.941 71 K HN 0.684 nan 8.250 nan 0.000 0.474 72 Q N 1.232 120.803 119.800 -0.381 0.000 2.252 72 Q HA 0.090 4.425 4.340 -0.009 0.000 0.256 72 Q C 0.714 176.603 176.000 -0.186 0.000 1.020 72 Q CA -0.742 54.867 55.803 -0.323 0.000 0.913 72 Q CB 1.299 29.927 28.738 -0.184 0.000 1.286 72 Q HN 0.560 nan 8.270 nan 0.000 0.480 73 E N 0.231 120.351 120.200 -0.133 0.000 2.333 73 E HA -0.226 4.118 4.350 -0.009 0.000 0.200 73 E C 0.400 176.969 176.600 -0.051 0.000 1.010 73 E CA 1.154 57.507 56.400 -0.079 0.000 0.841 73 E CB 0.382 30.049 29.700 -0.055 0.000 0.757 73 E HN 0.414 nan 8.360 nan 0.000 0.508 74 N N -0.313 118.351 118.700 -0.059 0.000 2.782 74 N HA -0.005 4.730 4.740 -0.009 0.000 0.244 74 N C 0.043 175.517 175.510 -0.060 0.000 1.029 74 N CA 0.323 53.349 53.050 -0.040 0.000 0.999 74 N CB 0.308 38.776 38.487 -0.033 0.000 1.634 74 N HN 0.123 nan 8.380 nan 0.000 0.478 75 N N 0.211 118.862 118.700 -0.081 0.000 2.469 75 N HA 0.476 5.210 4.740 -0.009 0.000 0.286 75 N C -1.039 174.398 175.510 -0.121 0.000 1.275 75 N CA -0.555 52.434 53.050 -0.102 0.000 0.790 75 N CB 1.473 39.915 38.487 -0.075 0.000 1.446 75 N HN -0.054 nan 8.380 nan 0.000 0.501 76 I N 0.413 120.913 120.570 -0.116 0.000 2.354 76 I HA 0.339 4.503 4.170 -0.009 0.000 0.292 76 I C -0.517 175.613 176.117 0.021 0.000 0.989 76 I CA -0.809 60.440 61.300 -0.085 0.000 1.188 76 I CB 0.855 38.777 38.000 -0.131 0.000 1.342 76 I HN 0.252 nan 8.210 nan 0.000 0.457 77 L N 6.342 127.597 121.223 0.053 0.000 2.334 77 L HA 0.599 4.934 4.340 -0.009 0.000 0.272 77 L C -0.359 176.529 176.870 0.029 0.000 1.020 77 L CA -1.005 53.845 54.840 0.017 0.000 0.812 77 L CB 2.228 44.257 42.059 -0.050 0.000 1.264 77 L HN 0.326 nan 8.230 nan 0.000 0.439 78 V N 2.513 122.377 119.914 -0.083 0.000 2.384 78 V HA 0.473 4.588 4.120 -0.009 0.000 0.287 78 V C -0.800 175.113 176.094 -0.300 0.000 1.020 78 V CA -0.196 62.057 62.300 -0.078 0.000 0.850 78 V CB 1.110 32.975 31.823 0.070 0.000 0.987 78 V HN 0.441 nan 8.190 nan 0.000 0.436 79 F N 5.275 124.962 119.950 -0.438 0.000 2.432 79 F HA 0.500 5.021 4.527 -0.010 0.000 0.329 79 F C 0.620 176.127 175.800 -0.489 0.000 1.076 79 F CA -0.421 57.227 58.000 -0.588 0.000 1.018 79 F CB 1.494 39.791 39.000 -1.170 0.000 1.201 79 F HN 0.479 nan 8.300 nan 0.000 0.489 80 N N 1.716 120.359 118.700 -0.095 0.000 2.457 80 N HA 0.262 4.997 4.740 -0.009 0.000 0.250 80 N C 0.343 175.786 175.510 -0.111 0.000 0.982 80 N CA 0.004 53.024 53.050 -0.051 0.000 0.941 80 N CB 1.784 40.295 38.487 0.040 0.000 1.120 80 N HN 0.791 nan 8.380 nan 0.000 0.505 81 A N 3.356 126.069 122.820 -0.177 0.000 2.070 81 A HA -0.152 4.163 4.320 -0.009 0.000 0.220 81 A C 1.841 179.091 177.584 -0.556 0.000 1.159 81 A CA 1.334 53.164 52.037 -0.344 0.000 0.656 81 A CB -0.205 18.503 19.000 -0.485 0.000 0.800 81 A HN 0.783 nan 8.150 nan 0.000 0.453 82 E N -1.130 118.759 120.200 -0.517 0.000 2.051 82 E HA -0.108 4.237 4.350 -0.009 0.000 0.189 82 E C 1.322 177.637 176.600 -0.475 0.000 0.979 82 E CA 1.516 57.604 56.400 -0.520 0.000 0.803 82 E CB -0.269 29.003 29.700 -0.714 0.000 0.761 82 E HN 0.682 nan 8.360 nan 0.000 0.451 83 Y N -1.744 118.550 120.300 -0.009 0.000 2.524 83 Y HA 0.385 4.930 4.550 -0.009 0.000 0.270 83 Y C 1.700 177.601 175.900 0.000 0.000 1.094 83 Y CA 0.366 58.466 58.100 0.000 0.000 1.276 83 Y CB 0.616 39.080 38.460 0.006 0.000 1.130 83 Y HN 0.193 nan 8.280 nan 0.000 0.536 84 G N 0.662 109.531 108.800 0.115 0.000 2.175 84 G HA2 -0.293 3.662 3.960 -0.009 0.000 0.244 84 G HA3 -0.293 3.662 3.960 -0.009 0.000 0.244 84 G C 0.024 175.048 174.900 0.207 0.000 0.982 84 G CA 0.093 45.279 45.100 0.143 0.000 0.641 84 G HN 0.442 nan 8.290 nan 0.000 0.527 85 N N 0.729 119.505 118.700 0.127 0.000 2.503 85 N HA 0.582 5.317 4.740 -0.009 0.000 0.267 85 N C 0.053 175.466 175.510 -0.162 0.000 1.214 85 N CA 0.667 53.725 53.050 0.014 0.000 0.959 85 N CB 1.548 40.045 38.487 0.017 0.000 1.142 85 N HN 1.009 nan 8.380 nan 0.000 0.455 86 S N -0.776 114.721 115.700 -0.339 0.000 2.618 86 S HA 0.744 5.208 4.470 -0.009 0.000 0.277 86 S C -1.055 173.326 174.600 -0.365 0.000 1.138 86 S CA -0.838 56.988 58.200 -0.624 0.000 0.844 86 S CB 1.462 63.722 63.200 -1.565 0.000 1.127 86 S HN 0.619 nan 8.310 nan 0.000 0.474 87 S N 0.182 115.694 115.700 -0.313 0.000 2.595 87 S HA 0.598 5.062 4.470 -0.009 0.000 0.281 87 S C -0.880 173.639 174.600 -0.136 0.000 1.117 87 S CA -0.806 57.287 58.200 -0.177 0.000 0.873 87 S CB 1.620 64.749 63.200 -0.117 0.000 1.108 87 S HN 0.808 nan 8.310 nan 0.000 0.477 88 V N 3.103 122.958 119.914 -0.099 0.000 2.421 88 V HA 0.123 4.237 4.120 -0.009 0.000 0.271 88 V C 0.762 176.837 176.094 -0.031 0.000 1.031 88 V CA 0.144 62.407 62.300 -0.062 0.000 1.032 88 V CB -0.545 31.233 31.823 -0.076 0.000 1.009 88 V HN 0.938 nan 8.190 nan 0.000 0.477 89 F N 6.465 126.351 119.950 -0.107 0.000 2.206 89 F HA 0.129 4.650 4.527 -0.009 0.000 0.298 89 F C 0.713 176.467 175.800 -0.077 0.000 1.090 89 F CA 0.917 58.867 58.000 -0.082 0.000 1.323 89 F CB 0.473 39.434 39.000 -0.065 0.000 1.028 89 F HN 0.386 nan 8.300 nan 0.000 0.492 90 L N -0.164 121.068 121.223 0.015 0.000 2.676 90 L HA 0.434 4.769 4.340 -0.009 0.000 0.262 90 L C -0.754 176.051 176.870 -0.108 0.000 0.932 90 L CA -1.047 53.740 54.840 -0.088 0.000 0.932 90 L CB 0.289 42.346 42.059 -0.003 0.000 1.355 90 L HN -0.205 nan 8.230 nan 0.000 0.421 91 E N 2.341 122.451 120.200 -0.150 0.000 2.458 91 E HA 0.034 4.378 4.350 -0.009 0.000 0.264 91 E C 1.324 177.842 176.600 -0.137 0.000 1.097 91 E CA 0.791 57.109 56.400 -0.136 0.000 0.973 91 E CB 0.712 30.326 29.700 -0.144 0.000 0.963 91 E HN 0.756 nan 8.360 nan 0.000 0.451 92 N N 0.223 118.867 118.700 -0.093 0.000 2.515 92 N HA -0.106 4.628 4.740 -0.009 0.000 0.185 92 N C 0.485 175.966 175.510 -0.049 0.000 1.109 92 N CA 0.815 53.831 53.050 -0.055 0.000 0.903 92 N CB 0.106 38.570 38.487 -0.039 0.000 0.969 92 N HN 0.240 nan 8.380 nan 0.000 0.450 93 S N -1.429 114.214 115.700 -0.095 0.000 2.554 93 S HA 0.126 4.591 4.470 -0.009 0.000 0.226 93 S C 1.124 175.614 174.600 -0.183 0.000 0.980 93 S CA -0.423 57.721 58.200 -0.094 0.000 0.939 93 S CB -0.089 63.066 63.200 -0.075 0.000 0.832 93 S HN 0.107 nan 8.310 nan 0.000 0.486 94 T N 1.475 115.818 114.554 -0.352 0.000 3.007 94 T HA 0.124 4.468 4.350 -0.009 0.000 0.270 94 T C -0.059 174.076 174.700 -0.942 0.000 1.107 94 T CA 0.954 62.630 62.100 -0.706 0.000 1.118 94 T CB -0.426 67.800 68.868 -1.069 0.000 0.889 94 T HN 0.576 nan 8.240 nan 0.000 0.506 95 F N 0.267 120.168 119.950 -0.081 0.000 2.811 95 F HA 0.348 4.870 4.527 -0.009 0.000 0.342 95 F C 0.911 176.722 175.800 0.019 0.000 1.203 95 F CA -1.462 56.509 58.000 -0.049 0.000 1.173 95 F CB 0.145 39.054 39.000 -0.152 0.000 1.094 95 F HN -0.083 nan 8.300 nan 0.000 0.510 96 D N 1.420 121.878 120.400 0.097 0.000 2.149 96 D HA -0.207 4.428 4.640 -0.009 0.000 0.194 96 D C 1.157 177.509 176.300 0.086 0.000 1.001 96 D CA 1.715 55.760 54.000 0.074 0.000 0.849 96 D CB -0.034 40.778 40.800 0.021 0.000 0.939 96 D HN 0.580 nan 8.370 nan 0.000 0.449 97 E N -0.293 119.963 120.200 0.093 0.000 2.830 97 E HA 0.078 4.423 4.350 -0.009 0.000 0.225 97 E C 0.550 177.202 176.600 0.086 0.000 1.109 97 E CA -0.459 55.975 56.400 0.057 0.000 1.392 97 E CB -0.305 29.406 29.700 0.018 0.000 1.349 97 E HN 0.063 nan 8.360 nan 0.000 0.433 98 F N 1.848 121.785 119.950 -0.022 0.000 2.456 98 F HA 0.189 4.710 4.527 -0.009 0.000 0.298 98 F C 1.657 177.330 175.800 -0.212 0.000 1.104 98 F CA 1.545 59.506 58.000 -0.064 0.000 1.435 98 F CB 0.210 39.165 39.000 -0.074 0.000 1.078 98 F HN 0.423 nan 8.300 nan 0.000 0.546 99 G N -0.595 108.044 108.800 -0.269 0.000 2.199 99 G HA2 -0.247 3.707 3.960 -0.009 0.000 0.254 99 G HA3 -0.247 3.707 3.960 -0.009 0.000 0.254 99 G C 0.106 174.603 174.900 -0.672 0.000 0.982 99 G CA 0.398 45.187 45.100 -0.518 0.000 0.632 99 G HN 0.545 nan 8.290 nan 0.000 0.529 100 H N -0.355 118.627 119.070 -0.147 0.000 2.851 100 H HA 0.620 5.171 4.556 -0.009 0.000 0.372 100 H C -0.495 174.904 175.328 0.119 0.000 1.158 100 H CA -0.075 55.951 56.048 -0.036 0.000 1.159 100 H CB 1.614 31.219 29.762 -0.262 0.000 1.757 100 H HN 0.163 nan 8.280 nan 0.000 0.546 101 S N 2.604 118.430 115.700 0.210 0.000 2.422 101 S HA 0.256 4.720 4.470 -0.009 0.000 0.283 101 S C 0.266 174.905 174.600 0.065 0.000 1.163 101 S CA -0.667 57.599 58.200 0.111 0.000 1.054 101 S CB -0.801 62.448 63.200 0.081 0.000 0.967 101 S HN 0.369 nan 8.310 nan 0.000 0.499 102 I N 6.155 126.690 120.570 -0.058 0.000 2.396 102 I HA 0.150 4.314 4.170 -0.009 0.000 0.289 102 I C 1.646 177.637 176.117 -0.210 0.000 1.056 102 I CA -0.412 60.746 61.300 -0.237 0.000 1.365 102 I CB 0.737 38.388 38.000 -0.582 0.000 1.407 102 I HN 0.758 nan 8.210 nan 0.000 0.509 103 N N 4.290 122.872 118.700 -0.197 0.000 2.392 103 N HA 0.010 4.744 4.740 -0.009 0.000 0.177 103 N C -0.150 175.240 175.510 -0.201 0.000 1.066 103 N CA 0.385 53.322 53.050 -0.188 0.000 0.895 103 N CB 0.605 38.962 38.487 -0.217 0.000 0.988 103 N HN 0.627 nan 8.380 nan 0.000 0.457 104 D N -1.489 118.744 120.400 -0.278 0.000 2.683 104 D HA 0.354 4.988 4.640 -0.009 0.000 0.246 104 D C -1.819 174.306 176.300 -0.292 0.000 1.238 104 D CA -0.478 53.427 54.000 -0.159 0.000 0.759 104 D CB 0.877 41.645 40.800 -0.053 0.000 1.349 104 D HN -0.072 nan 8.370 nan 0.000 0.426 105 Y N -0.073 120.233 120.300 0.009 0.000 2.598 105 Y HA 0.720 5.265 4.550 -0.010 0.000 0.340 105 Y C 0.053 176.027 175.900 0.123 0.000 1.038 105 Y CA -0.904 57.225 58.100 0.048 0.000 1.100 105 Y CB 2.417 40.901 38.460 0.040 0.000 1.281 105 Y HN 0.174 nan 8.280 nan 0.000 0.488 106 S N 1.525 117.450 115.700 0.374 0.000 2.614 106 S HA 0.503 4.967 4.470 -0.009 0.000 0.259 106 S C -1.489 173.415 174.600 0.505 0.000 1.118 106 S CA -0.464 57.978 58.200 0.403 0.000 1.065 106 S CB -0.156 63.290 63.200 0.410 0.000 1.121 106 S HN 0.554 nan 8.310 nan 0.000 0.458 107 I N 4.435 125.155 120.570 0.251 0.000 2.395 107 I HA 0.281 4.445 4.170 -0.009 0.000 0.289 107 I C 1.026 176.948 176.117 -0.325 0.000 1.023 107 I CA -0.460 60.874 61.300 0.056 0.000 1.350 107 I CB 1.645 39.624 38.000 -0.035 0.000 1.409 107 I HN 0.733 nan 8.210 nan 0.000 0.507 108 S N 5.972 121.132 115.700 -0.899 0.000 2.563 108 S HA 0.105 4.570 4.470 -0.009 0.000 0.284 108 S C -1.837 172.451 174.600 -0.520 0.000 1.331 108 S CA -0.931 56.397 58.200 -1.453 0.000 1.047 108 S CB 0.406 62.692 63.200 -1.524 0.000 0.859 108 S HN 0.443 nan 8.310 nan 0.000 0.514 109 P HA -0.053 nan 4.420 nan 0.000 0.226 109 P C 0.616 177.863 177.300 -0.089 0.000 1.146 109 P CA 0.918 63.946 63.100 -0.120 0.000 0.773 109 P CB 0.013 31.675 31.700 -0.064 0.000 0.772 110 D N -1.279 119.045 120.400 -0.127 0.000 2.149 110 D HA -0.022 4.613 4.640 -0.009 0.000 0.201 110 D C 1.830 178.109 176.300 -0.036 0.000 0.972 110 D CA 1.696 55.671 54.000 -0.043 0.000 0.835 110 D CB -0.594 40.235 40.800 0.047 0.000 0.966 110 D HN 0.125 nan 8.370 nan 0.000 0.476 111 G N 0.134 108.897 108.800 -0.061 0.000 2.179 111 G HA2 -0.366 3.588 3.960 -0.009 0.000 0.260 111 G HA3 -0.366 3.588 3.960 -0.009 0.000 0.260 111 G C 1.070 175.962 174.900 -0.012 0.000 0.977 111 G CA 0.654 45.782 45.100 0.048 0.000 0.641 111 G HN 0.420 nan 8.290 nan 0.000 0.533 112 Q N -1.398 118.301 119.800 -0.167 0.000 2.302 112 Q HA 0.380 4.714 4.340 -0.009 0.000 0.202 112 Q C 0.202 175.727 176.000 -0.792 0.000 0.936 112 Q CA 0.684 56.195 55.803 -0.488 0.000 0.886 112 Q CB 0.300 28.677 28.738 -0.601 0.000 0.986 112 Q HN 0.555 nan 8.270 nan 0.000 0.487 113 F N -0.565 119.335 119.950 -0.083 0.000 2.613 113 F HA 0.514 5.035 4.527 -0.010 0.000 0.314 113 F C -0.513 175.369 175.800 0.137 0.000 1.075 113 F CA -1.126 56.893 58.000 0.032 0.000 0.945 113 F CB 1.514 40.553 39.000 0.065 0.000 1.310 113 F HN -0.253 nan 8.300 nan 0.000 0.467 114 I N 2.628 123.545 120.570 0.578 0.000 2.545 114 I HA 0.418 4.583 4.170 -0.009 0.000 0.292 114 I C -1.470 174.999 176.117 0.587 0.000 1.040 114 I CA -1.024 60.608 61.300 0.554 0.000 1.068 114 I CB 2.200 40.519 38.000 0.532 0.000 1.251 114 I HN 0.287 nan 8.210 nan 0.000 0.424 115 L N 6.806 128.367 121.223 0.564 0.000 2.272 115 L HA 0.496 4.830 4.340 -0.009 0.000 0.289 115 L C -0.861 176.116 176.870 0.180 0.000 1.032 115 L CA -0.124 54.928 54.840 0.355 0.000 0.810 115 L CB 0.940 43.152 42.059 0.255 0.000 1.205 115 L HN 0.441 nan 8.230 nan 0.000 0.422 116 L N 5.068 126.312 121.223 0.036 0.000 2.265 116 L HA 0.460 4.794 4.340 -0.009 0.000 0.289 116 L C 0.055 176.852 176.870 -0.122 0.000 1.033 116 L CA -0.328 54.364 54.840 -0.247 0.000 0.814 116 L CB 1.292 42.989 42.059 -0.604 0.000 1.203 116 L HN 0.619 nan 8.230 nan 0.000 0.423 117 E N 4.307 124.367 120.200 -0.233 0.000 2.174 117 E HA 0.411 4.755 4.350 -0.009 0.000 0.282 117 E C -1.518 174.971 176.600 -0.186 0.000 0.992 117 E CA -0.505 55.671 56.400 -0.374 0.000 0.803 117 E CB 0.969 30.514 29.700 -0.259 0.000 1.090 117 E HN 0.438 nan 8.360 nan 0.000 0.396 118 Y N 1.640 121.696 120.300 -0.406 0.000 2.728 118 Y HA 0.441 4.985 4.550 -0.009 0.000 0.330 118 Y C -0.098 175.685 175.900 -0.196 0.000 1.234 118 Y CA -1.737 56.228 58.100 -0.224 0.000 1.070 118 Y CB 0.388 38.787 38.460 -0.103 0.000 1.300 118 Y HN 0.505 nan 8.280 nan 0.000 0.467 119 N N -0.455 118.221 118.700 -0.040 0.000 2.735 119 N HA -0.298 4.436 4.740 -0.009 0.000 0.248 119 N C -0.950 174.508 175.510 -0.087 0.000 1.083 119 N CA 1.027 54.008 53.050 -0.115 0.000 0.703 119 N CB -1.564 36.744 38.487 -0.299 0.000 1.005 119 N HN 0.864 nan 8.380 nan 0.000 0.550 120 Y N 0.258 120.475 120.300 -0.137 0.000 2.632 120 Y HA 0.270 4.814 4.550 -0.010 0.000 0.329 120 Y C -0.020 175.842 175.900 -0.064 0.000 1.174 120 Y CA 0.030 58.060 58.100 -0.116 0.000 1.469 120 Y CB 0.680 39.025 38.460 -0.193 0.000 1.242 120 Y HN -0.015 nan 8.280 nan 0.000 0.540 121 V N 8.133 127.650 119.914 -0.662 0.000 2.447 121 V HA 0.198 4.312 4.120 -0.009 0.000 0.292 121 V C -0.329 175.357 176.094 -0.681 0.000 1.021 121 V CA -1.389 60.585 62.300 -0.543 0.000 0.850 121 V CB 1.307 32.978 31.823 -0.252 0.000 1.005 121 V HN 0.767 nan 8.190 nan 0.000 0.426 122 K N 3.823 123.795 120.400 -0.713 0.000 2.382 122 K HA 0.248 4.562 4.320 -0.009 0.000 0.275 122 K C 0.438 176.882 176.600 -0.260 0.000 1.009 122 K CA 0.149 56.209 56.287 -0.378 0.000 0.970 122 K CB 1.297 33.753 32.500 -0.074 0.000 0.934 122 K HN 0.815 nan 8.250 nan 0.000 0.479 123 Q N 3.185 122.823 119.800 -0.270 0.000 2.429 123 Q HA 0.161 4.496 4.340 -0.009 0.000 0.230 123 Q C 0.023 175.810 176.000 -0.355 0.000 0.970 123 Q CA -0.366 55.093 55.803 -0.574 0.000 0.778 123 Q CB 0.074 28.297 28.738 -0.858 0.000 2.016 123 Q HN 0.743 nan 8.270 nan 0.000 0.543 124 W N 0.205 121.506 121.300 0.003 0.000 1.756 124 W HA 0.372 5.026 4.660 -0.010 0.000 0.638 124 W C 1.940 178.451 176.519 -0.013 0.000 1.472 124 W CA -0.734 56.639 57.345 0.046 0.000 1.437 124 W CB -0.156 29.293 29.460 -0.019 0.000 3.368 124 W HN 0.269 nan 8.180 nan 0.000 0.771 125 R N -0.615 119.983 120.500 0.163 0.000 2.075 125 R HA -0.139 4.195 4.340 -0.009 0.000 0.232 125 R C 1.742 177.871 176.300 -0.285 0.000 1.126 125 R CA 1.767 57.779 56.100 -0.146 0.000 0.963 125 R CB -0.356 29.702 30.300 -0.404 0.000 0.858 125 R HN 0.497 nan 8.270 nan 0.000 0.435 126 H N -1.376 117.783 119.070 0.147 0.000 2.800 126 H HA 0.150 4.701 4.556 -0.009 0.000 0.257 126 H C 0.683 176.141 175.328 0.216 0.000 0.967 126 H CA 0.462 56.625 56.048 0.192 0.000 1.192 126 H CB 0.138 29.985 29.762 0.142 0.000 1.441 126 H HN 0.138 nan 8.280 nan 0.000 0.461 127 S N 1.356 117.095 115.700 0.064 0.000 2.579 127 S HA 0.326 4.791 4.470 -0.009 0.000 0.275 127 S C -0.234 174.290 174.600 -0.128 0.000 1.345 127 S CA -0.367 57.585 58.200 -0.412 0.000 1.031 127 S CB 0.542 62.945 63.200 -1.327 0.000 0.892 127 S HN 0.474 nan 8.310 nan 0.000 0.529 128 Y N -2.335 117.848 120.300 -0.196 0.000 2.810 128 Y HA 0.627 5.171 4.550 -0.009 0.000 0.355 128 Y C -0.840 175.070 175.900 0.017 0.000 1.211 128 Y CA -0.797 57.204 58.100 -0.165 0.000 1.112 128 Y CB 0.451 38.822 38.460 -0.147 0.000 1.383 128 Y HN 0.939 nan 8.280 nan 0.000 0.458 129 T N -0.064 114.561 114.554 0.118 0.000 2.916 129 T HA 1.034 5.378 4.350 -0.009 0.000 0.292 129 T C -0.542 174.253 174.700 0.158 0.000 1.064 129 T CA -0.207 61.967 62.100 0.123 0.000 1.011 129 T CB 1.801 70.693 68.868 0.039 0.000 1.152 129 T HN 2.056 nan 8.240 nan 0.000 0.510 130 A N 0.706 123.588 122.820 0.105 0.000 2.515 130 A HA 0.741 5.055 4.320 -0.009 0.000 0.292 130 A C -0.678 176.711 177.584 -0.325 0.000 1.065 130 A CA -0.988 50.970 52.037 -0.133 0.000 0.641 130 A CB 0.808 19.717 19.000 -0.151 0.000 1.306 130 A HN 0.905 nan 8.150 nan 0.000 0.441 131 S N -0.652 114.598 115.700 -0.750 0.000 2.608 131 S HA 0.808 5.272 4.470 -0.009 0.000 0.291 131 S C -1.487 172.471 174.600 -1.069 0.000 1.146 131 S CA -0.059 57.606 58.200 -0.892 0.000 1.043 131 S CB 0.648 62.989 63.200 -1.431 0.000 1.037 131 S HN 0.460 nan 8.310 nan 0.000 0.520 132 Y N 0.118 120.195 120.300 -0.371 0.000 2.457 132 Y HA 0.457 5.002 4.550 -0.009 0.000 0.343 132 Y C -0.372 175.569 175.900 0.069 0.000 0.994 132 Y CA -0.914 57.123 58.100 -0.106 0.000 1.031 132 Y CB 1.751 40.081 38.460 -0.216 0.000 1.246 132 Y HN 0.499 nan 8.280 nan 0.000 0.449 133 D N 2.835 123.428 120.400 0.321 0.000 2.619 133 D HA 0.544 5.178 4.640 -0.009 0.000 0.241 133 D C -0.876 175.531 176.300 0.178 0.000 1.087 133 D CA -0.329 53.824 54.000 0.255 0.000 0.851 133 D CB 2.647 43.670 40.800 0.371 0.000 1.474 133 D HN 0.415 nan 8.370 nan 0.000 0.478 134 I N 1.934 122.609 120.570 0.175 0.000 2.377 134 I HA 0.238 4.403 4.170 -0.009 0.000 0.293 134 I C -0.820 175.506 176.117 0.348 0.000 0.987 134 I CA -0.940 60.501 61.300 0.235 0.000 1.185 134 I CB 1.312 39.385 38.000 0.122 0.000 1.341 134 I HN 0.220 nan 8.210 nan 0.000 0.455 135 Y N 5.340 125.819 120.300 0.297 0.000 2.331 135 Y HA 0.272 4.816 4.550 -0.009 0.000 0.338 135 Y C -0.126 176.010 175.900 0.392 0.000 0.992 135 Y CA -0.780 57.513 58.100 0.322 0.000 1.121 135 Y CB 1.144 39.820 38.460 0.361 0.000 1.184 135 Y HN 0.481 nan 8.280 nan 0.000 0.469 136 D N 6.522 126.852 120.400 -0.117 0.000 2.365 136 D HA 0.081 4.716 4.640 -0.009 0.000 0.237 136 D C 0.817 176.857 176.300 -0.433 0.000 1.190 136 D CA 0.263 54.193 54.000 -0.117 0.000 0.867 136 D CB 0.840 41.614 40.800 -0.043 0.000 1.050 136 D HN 0.869 nan 8.370 nan 0.000 0.491 137 L N 3.588 124.629 121.223 -0.303 0.000 2.191 137 L HA -0.167 4.168 4.340 -0.009 0.000 0.212 137 L C 2.080 178.793 176.870 -0.261 0.000 1.103 137 L CA 0.506 55.224 54.840 -0.204 0.000 0.769 137 L CB -0.253 41.727 42.059 -0.132 0.000 0.908 137 L HN 0.400 nan 8.230 nan 0.000 0.438 138 N N 1.350 119.854 118.700 -0.327 0.000 2.048 138 N HA -0.190 4.545 4.740 -0.009 0.000 0.193 138 N C 1.569 176.965 175.510 -0.192 0.000 1.061 138 N CA 1.670 54.573 53.050 -0.245 0.000 0.849 138 N CB -0.340 37.995 38.487 -0.253 0.000 1.044 138 N HN 0.435 nan 8.380 nan 0.000 0.429 139 K N 1.431 121.720 120.400 -0.186 0.000 2.525 139 K HA 0.118 4.432 4.320 -0.009 0.000 0.192 139 K C -0.319 176.176 176.600 -0.175 0.000 1.029 139 K CA 0.061 56.262 56.287 -0.142 0.000 1.029 139 K CB 0.036 32.476 32.500 -0.100 0.000 0.814 139 K HN 0.089 nan 8.250 nan 0.000 0.503 140 R N 0.592 120.927 120.500 -0.275 0.000 3.251 140 R HA -0.211 4.124 4.340 -0.009 0.000 0.249 140 R C -0.780 175.318 176.300 -0.336 0.000 0.949 140 R CA 0.706 56.611 56.100 -0.325 0.000 0.645 140 R CB -1.958 28.299 30.300 -0.072 0.000 1.065 140 R HN 0.523 nan 8.270 nan 0.000 0.452 141 Q N 0.152 119.634 119.800 -0.530 0.000 2.416 141 Q HA 0.564 4.899 4.340 -0.009 0.000 0.281 141 Q C -1.017 174.892 176.000 -0.151 0.000 1.067 141 Q CA -0.789 54.898 55.803 -0.193 0.000 0.809 141 Q CB 1.764 30.457 28.738 -0.075 0.000 1.418 141 Q HN 0.318 nan 8.270 nan 0.000 0.411 142 L N 3.270 124.600 121.223 0.179 0.000 2.349 142 L HA 0.417 4.752 4.340 -0.009 0.000 0.275 142 L C -0.299 176.667 176.870 0.159 0.000 1.115 142 L CA -0.424 54.596 54.840 0.300 0.000 0.820 142 L CB 0.680 42.958 42.059 0.364 0.000 1.135 142 L HN 0.635 nan 8.230 nan 0.000 0.445 143 I N 2.483 123.145 120.570 0.154 0.000 2.352 143 I HA 0.043 4.207 4.170 -0.009 0.000 0.290 143 I C 1.196 177.357 176.117 0.073 0.000 1.036 143 I CA 0.001 61.353 61.300 0.087 0.000 1.336 143 I CB 1.371 39.406 38.000 0.057 0.000 1.407 143 I HN 0.704 nan 8.210 nan 0.000 0.497 144 T N 1.053 115.635 114.554 0.047 0.000 3.022 144 T HA 0.102 4.447 4.350 -0.009 0.000 0.250 144 T C 0.545 175.243 174.700 -0.003 0.000 1.060 144 T CA -0.311 61.807 62.100 0.030 0.000 1.013 144 T CB 0.041 68.927 68.868 0.029 0.000 0.982 144 T HN 0.625 nan 8.240 nan 0.000 0.508 145 E N 1.670 121.863 120.200 -0.013 0.000 2.242 145 E HA 0.227 4.571 4.350 -0.009 0.000 0.275 145 E C -0.596 175.968 176.600 -0.059 0.000 1.002 145 E CA -0.643 55.736 56.400 -0.034 0.000 0.841 145 E CB 0.787 30.471 29.700 -0.028 0.000 1.109 145 E HN 0.114 nan 8.360 nan 0.000 0.394 146 E N 0.512 120.663 120.200 -0.080 0.000 2.328 146 E HA -0.257 4.087 4.350 -0.009 0.000 0.233 146 E C 0.195 176.709 176.600 -0.142 0.000 1.219 146 E CA 1.099 57.431 56.400 -0.113 0.000 0.717 146 E CB -1.618 28.022 29.700 -0.100 0.000 1.210 146 E HN 0.758 nan 8.360 nan 0.000 0.381 147 R N -0.281 120.135 120.500 -0.140 0.000 2.774 147 R HA 0.386 4.720 4.340 -0.009 0.000 0.269 147 R C 0.748 176.873 176.300 -0.293 0.000 1.068 147 R CA -0.448 55.555 56.100 -0.162 0.000 1.180 147 R CB 0.456 30.699 30.300 -0.095 0.000 1.077 147 R HN 0.044 nan 8.270 nan 0.000 0.513 148 I N 2.832 123.187 120.570 -0.357 0.000 2.618 148 I HA 0.097 4.261 4.170 -0.009 0.000 0.284 148 I C -1.456 174.340 176.117 -0.535 0.000 1.146 148 I CA -1.908 59.012 61.300 -0.633 0.000 1.425 148 I CB 0.648 38.271 38.000 -0.629 0.000 1.383 148 I HN 0.605 nan 8.210 nan 0.000 0.562 149 P HA 0.049 nan 4.420 nan 0.000 0.272 149 P C -0.896 176.172 177.300 -0.386 0.000 1.230 149 P CA -0.335 62.359 63.100 -0.675 0.000 0.788 149 P CB 0.538 31.426 31.700 -1.353 0.000 0.949 150 N N 1.650 120.216 118.700 -0.224 0.000 2.399 150 N HA 0.019 4.753 4.740 -0.009 0.000 0.250 150 N C 0.770 176.335 175.510 0.091 0.000 1.272 150 N CA 0.071 53.059 53.050 -0.104 0.000 0.928 150 N CB -0.376 38.056 38.487 -0.090 0.000 1.158 150 N HN 0.449 nan 8.380 nan 0.000 0.463 151 N N -1.289 117.451 118.700 0.065 0.000 2.741 151 N HA -0.155 4.579 4.740 -0.009 0.000 0.250 151 N C -0.807 174.857 175.510 0.257 0.000 1.115 151 N CA 0.736 53.867 53.050 0.136 0.000 0.724 151 N CB -1.681 36.898 38.487 0.152 0.000 1.090 151 N HN 0.482 nan 8.380 nan 0.000 0.558 152 T N 0.948 115.652 114.554 0.250 0.000 2.916 152 T HA 0.095 4.439 4.350 -0.009 0.000 0.303 152 T C 1.714 176.548 174.700 0.223 0.000 1.025 152 T CA 0.148 62.410 62.100 0.269 0.000 1.142 152 T CB 1.121 70.035 68.868 0.078 0.000 0.947 152 T HN 0.171 nan 8.240 nan 0.000 0.544 153 Q N 1.704 121.627 119.800 0.205 0.000 2.302 153 Q HA 0.156 4.490 4.340 -0.009 0.000 0.202 153 Q C 0.128 176.260 176.000 0.221 0.000 0.936 153 Q CA 0.404 56.341 55.803 0.223 0.000 0.886 153 Q CB 0.761 29.588 28.738 0.148 0.000 0.986 153 Q HN 0.695 nan 8.270 nan 0.000 0.487 154 W N -0.119 121.114 121.300 -0.112 0.000 3.645 154 W HA 0.435 5.089 4.660 -0.010 0.000 0.285 154 W C -2.300 174.109 176.519 -0.183 0.000 1.266 154 W CA -0.588 56.651 57.345 -0.176 0.000 1.212 154 W CB 1.169 30.475 29.460 -0.257 0.000 1.306 154 W HN -0.363 nan 8.180 nan 0.000 0.552 155 V N 3.276 122.489 119.914 -1.169 0.000 2.925 155 V HA 0.762 4.877 4.120 -0.009 0.000 0.311 155 V C -0.490 175.010 176.094 -0.990 0.000 1.104 155 V CA -0.642 61.110 62.300 -0.912 0.000 0.954 155 V CB 1.970 33.141 31.823 -1.086 0.000 1.022 155 V HN 0.486 nan 8.190 nan 0.000 0.427 156 T N 2.340 116.614 114.554 -0.465 0.000 3.291 156 T HA 0.445 4.789 4.350 -0.009 0.000 0.344 156 T C -1.520 173.206 174.700 0.045 0.000 1.293 156 T CA -0.366 61.644 62.100 -0.151 0.000 1.108 156 T CB 0.620 69.624 68.868 0.227 0.000 1.231 156 T HN 0.511 nan 8.240 nan 0.000 0.474 157 W N 3.137 124.476 121.300 0.066 0.000 2.093 157 W HA 0.473 5.127 4.660 -0.010 0.000 0.352 157 W C 1.298 177.654 176.519 -0.271 0.000 1.294 157 W CA -0.455 56.874 57.345 -0.028 0.000 1.290 157 W CB 0.531 29.980 29.460 -0.018 0.000 1.149 157 W HN 0.788 nan 8.180 nan 0.000 0.606 158 S N 0.660 116.133 115.700 -0.379 0.000 2.614 158 S HA 0.186 4.650 4.470 -0.009 0.000 0.265 158 S C -1.892 172.427 174.600 -0.468 0.000 1.303 158 S CA -1.007 56.442 58.200 -1.251 0.000 1.000 158 S CB 0.912 63.369 63.200 -1.239 0.000 0.935 158 S HN 0.251 nan 8.310 nan 0.000 0.551 159 P HA -0.055 nan 4.420 nan 0.000 0.219 159 P C 1.130 178.382 177.300 -0.081 0.000 1.146 159 P CA 0.987 64.026 63.100 -0.101 0.000 0.808 159 P CB -0.120 31.556 31.700 -0.039 0.000 0.779 160 V N -4.708 115.119 119.914 -0.144 0.000 3.938 160 V HA 0.446 4.561 4.120 -0.009 0.000 0.193 160 V C 1.925 177.949 176.094 -0.117 0.000 1.148 160 V CA 0.609 62.849 62.300 -0.099 0.000 1.354 160 V CB -1.546 30.226 31.823 -0.084 0.000 1.627 160 V HN 0.017 nan 8.190 nan 0.000 0.512 161 G N 1.761 110.464 108.800 -0.162 0.000 2.345 161 G HA2 -0.076 3.878 3.960 -0.009 0.000 0.161 161 G HA3 -0.076 3.878 3.960 -0.009 0.000 0.161 161 G C 0.780 175.606 174.900 -0.122 0.000 1.656 161 G CA 1.373 46.354 45.100 -0.199 0.000 0.940 161 G HN 1.168 nan 8.290 nan 0.000 0.374 162 H N -1.451 117.639 119.070 0.033 0.000 3.038 162 H HA 0.377 4.928 4.556 -0.008 0.000 0.238 162 H C -0.151 175.368 175.328 0.318 0.000 1.246 162 H CA -0.510 55.633 56.048 0.158 0.000 0.966 162 H CB -0.307 29.586 29.762 0.218 0.000 2.394 162 H HN 0.220 nan 8.280 nan 0.000 0.633 163 K N 1.581 122.066 120.400 0.142 0.000 2.180 163 K HA 0.467 4.781 4.320 -0.009 0.000 0.251 163 K C -0.419 176.314 176.600 0.222 0.000 1.014 163 K CA -0.262 56.103 56.287 0.129 0.000 0.913 163 K CB 1.431 33.870 32.500 -0.103 0.000 1.008 163 K HN 0.131 nan 8.250 nan 0.000 0.490 164 L N 0.751 122.116 121.223 0.236 0.000 2.431 164 L HA 0.537 4.871 4.340 -0.009 0.000 0.266 164 L C -1.138 175.916 176.870 0.306 0.000 0.978 164 L CA -0.823 54.106 54.840 0.148 0.000 0.822 164 L CB 2.195 44.186 42.059 -0.113 0.000 1.310 164 L HN 0.705 nan 8.230 nan 0.000 0.409 165 A N 2.755 125.753 122.820 0.296 0.000 2.343 165 A HA 0.820 5.135 4.320 -0.009 0.000 0.308 165 A C -1.599 176.006 177.584 0.035 0.000 1.092 165 A CA -0.377 51.724 52.037 0.107 0.000 0.751 165 A CB 1.088 20.077 19.000 -0.018 0.000 1.203 165 A HN 0.639 nan 8.150 nan 0.000 0.452 166 Y N -0.291 119.961 120.300 -0.080 0.000 2.588 166 Y HA 0.770 5.315 4.550 -0.008 0.000 0.343 166 Y C -1.213 174.690 175.900 0.006 0.000 1.065 166 Y CA -1.641 56.388 58.100 -0.118 0.000 1.038 166 Y CB 1.164 39.481 38.460 -0.238 0.000 1.297 166 Y HN 0.369 nan 8.280 nan 0.000 0.467 167 V N 2.429 122.473 119.914 0.217 0.000 2.417 167 V HA 0.357 4.471 4.120 -0.009 0.000 0.291 167 V C -1.400 174.902 176.094 0.346 0.000 1.024 167 V CA -0.587 61.816 62.300 0.173 0.000 0.861 167 V CB 1.199 33.031 31.823 0.014 0.000 0.985 167 V HN 0.876 nan 8.190 nan 0.000 0.436 168 W N 5.039 126.441 121.300 0.170 0.000 3.097 168 W HA 0.464 5.118 4.660 -0.010 0.000 0.335 168 W C 0.307 176.878 176.519 0.087 0.000 1.114 168 W CA -0.772 56.636 57.345 0.105 0.000 1.231 168 W CB 1.224 30.710 29.460 0.044 0.000 1.388 168 W HN 0.784 nan 8.180 nan 0.000 0.485 169 N N 5.541 123.873 118.700 -0.613 0.000 2.721 169 N HA -0.351 4.383 4.740 -0.009 0.000 0.249 169 N C 0.147 175.482 175.510 -0.291 0.000 1.072 169 N CA 1.029 53.707 53.050 -0.620 0.000 0.710 169 N CB -1.111 36.763 38.487 -1.021 0.000 0.993 169 N HN 0.862 nan 8.380 nan 0.000 0.547 170 N N -1.735 116.859 118.700 -0.176 0.000 2.828 170 N HA -0.169 4.566 4.740 -0.009 0.000 0.248 170 N C -1.272 174.161 175.510 -0.128 0.000 1.044 170 N CA 1.113 54.081 53.050 -0.138 0.000 0.851 170 N CB -0.358 38.004 38.487 -0.208 0.000 1.136 170 N HN 0.437 nan 8.380 nan 0.000 0.572 171 D N 0.522 120.863 120.400 -0.099 0.000 2.340 171 D HA 0.484 5.119 4.640 -0.009 0.000 0.240 171 D C 0.209 176.351 176.300 -0.263 0.000 1.001 171 D CA -0.370 53.496 54.000 -0.224 0.000 0.888 171 D CB 1.655 42.271 40.800 -0.308 0.000 1.310 171 D HN 0.028 nan 8.370 nan 0.000 0.474 172 I N 1.633 121.889 120.570 -0.523 0.000 2.396 172 I HA 0.231 4.396 4.170 -0.009 0.000 0.292 172 I C -0.700 174.954 176.117 -0.771 0.000 0.999 172 I CA -0.432 60.540 61.300 -0.547 0.000 1.310 172 I CB 0.556 38.145 38.000 -0.685 0.000 1.404 172 I HN 0.159 nan 8.210 nan 0.000 0.496 173 Y N 4.100 124.007 120.300 -0.655 0.000 2.512 173 Y HA 0.599 5.144 4.550 -0.009 0.000 0.348 173 Y C -0.363 175.156 175.900 -0.634 0.000 0.990 173 Y CA -0.913 56.745 58.100 -0.737 0.000 1.033 173 Y CB 2.104 39.840 38.460 -1.206 0.000 1.259 173 Y HN 0.107 nan 8.280 nan 0.000 0.461 174 V N 2.936 122.758 119.914 -0.154 0.000 2.531 174 V HA 0.422 4.536 4.120 -0.009 0.000 0.301 174 V C -0.740 175.459 176.094 0.175 0.000 1.034 174 V CA -1.307 61.007 62.300 0.023 0.000 0.865 174 V CB 1.882 33.748 31.823 0.072 0.000 0.995 174 V HN 0.607 nan 8.190 nan 0.000 0.424 175 K N 3.987 124.502 120.400 0.192 0.000 2.367 175 K HA 0.543 4.857 4.320 -0.009 0.000 0.263 175 K C 0.656 177.384 176.600 0.213 0.000 1.000 175 K CA -0.459 55.932 56.287 0.173 0.000 0.891 175 K CB 1.425 33.999 32.500 0.124 0.000 1.117 175 K HN 0.595 nan 8.250 nan 0.000 0.443 176 I N 1.361 122.079 120.570 0.248 0.000 2.315 176 I HA -0.135 4.030 4.170 -0.009 0.000 0.248 176 I C 0.477 176.722 176.117 0.213 0.000 1.117 176 I CA 1.213 62.652 61.300 0.230 0.000 1.404 176 I CB 0.236 38.392 38.000 0.260 0.000 1.071 176 I HN 0.489 nan 8.210 nan 0.000 0.419 177 E N -0.506 119.791 120.200 0.162 0.000 2.293 177 E HA 0.242 4.586 4.350 -0.009 0.000 0.270 177 E C -1.898 174.684 176.600 -0.031 0.000 0.879 177 E CA -1.884 54.587 56.400 0.119 0.000 0.756 177 E CB 1.816 31.580 29.700 0.107 0.000 1.208 177 E HN -0.222 nan 8.360 nan 0.000 0.428 178 P HA -0.198 nan 4.420 nan 0.000 0.216 178 P C 0.747 177.946 177.300 -0.169 0.000 1.154 178 P CA 1.562 64.484 63.100 -0.296 0.000 0.865 178 P CB 0.288 31.541 31.700 -0.744 0.000 0.789 179 N N -1.790 116.834 118.700 -0.126 0.000 2.270 179 N HA 0.040 4.775 4.740 -0.009 0.000 0.198 179 N C -0.044 175.435 175.510 -0.053 0.000 1.117 179 N CA 0.240 53.249 53.050 -0.068 0.000 0.845 179 N CB -0.392 38.075 38.487 -0.033 0.000 0.980 179 N HN 0.079 nan 8.380 nan 0.000 0.486 180 L N 0.834 122.026 121.223 -0.051 0.000 2.375 180 L HA 0.564 4.898 4.340 -0.009 0.000 0.268 180 L C -2.122 174.689 176.870 -0.098 0.000 1.058 180 L CA -2.144 52.663 54.840 -0.055 0.000 0.803 180 L CB 0.722 42.768 42.059 -0.023 0.000 1.212 180 L HN -0.119 nan 8.230 nan 0.000 0.451 181 P HA 0.069 nan 4.420 nan 0.000 0.269 181 P C -0.757 176.373 177.300 -0.283 0.000 1.209 181 P CA -0.127 62.861 63.100 -0.186 0.000 0.776 181 P CB 0.653 32.240 31.700 -0.189 0.000 0.876 182 S N 1.957 117.540 115.700 -0.195 0.000 2.586 182 S HA 0.375 4.839 4.470 -0.009 0.000 0.274 182 S C -1.055 173.420 174.600 -0.209 0.000 1.281 182 S CA -0.373 57.744 58.200 -0.139 0.000 1.035 182 S CB -0.066 63.167 63.200 0.055 0.000 0.962 182 S HN 0.181 nan 8.310 nan 0.000 0.512 183 Y N 2.497 122.811 120.300 0.022 0.000 2.326 183 Y HA 0.410 4.956 4.550 -0.007 0.000 0.337 183 Y C 0.851 176.675 175.900 -0.126 0.000 1.023 183 Y CA -0.603 57.488 58.100 -0.016 0.000 1.143 183 Y CB 0.749 39.200 38.460 -0.016 0.000 1.183 183 Y HN 0.561 nan 8.280 nan 0.000 0.485 184 R N 4.134 124.583 120.500 -0.084 0.000 2.267 184 R HA 0.207 4.542 4.340 -0.009 0.000 0.319 184 R C 0.214 176.247 176.300 -0.446 0.000 1.067 184 R CA -0.088 55.656 56.100 -0.594 0.000 0.936 184 R CB 0.405 30.126 30.300 -0.966 0.000 1.006 184 R HN 0.783 nan 8.270 nan 0.000 0.452 185 I N 1.924 122.158 120.570 -0.561 0.000 2.585 185 I HA -0.018 4.146 4.170 -0.009 0.000 0.254 185 I C 1.258 177.181 176.117 -0.323 0.000 1.129 185 I CA 0.942 62.027 61.300 -0.359 0.000 1.455 185 I CB -0.428 37.314 38.000 -0.430 0.000 1.111 185 I HN 0.509 nan 8.210 nan 0.000 0.433 186 T N -1.422 112.818 114.554 -0.524 0.000 2.906 186 T HA 0.374 4.718 4.350 -0.009 0.000 0.295 186 T C -1.289 173.178 174.700 -0.388 0.000 1.061 186 T CA -0.352 61.564 62.100 -0.307 0.000 1.000 186 T CB 1.287 69.944 68.868 -0.352 0.000 1.103 186 T HN 0.150 nan 8.240 nan 0.000 0.486 187 W N 1.305 122.489 121.300 -0.193 0.000 2.518 187 W HA 0.245 4.898 4.660 -0.011 0.000 0.352 187 W C 1.849 178.308 176.519 -0.099 0.000 0.952 187 W CA -0.105 57.163 57.345 -0.130 0.000 1.624 187 W CB -0.098 29.308 29.460 -0.090 0.000 1.135 187 W HN 0.802 nan 8.180 nan 0.000 0.540 188 T N -2.773 111.824 114.554 0.071 0.000 3.086 188 T HA 0.284 4.628 4.350 -0.009 0.000 0.250 188 T C 1.237 175.927 174.700 -0.016 0.000 1.074 188 T CA 0.213 62.332 62.100 0.032 0.000 0.988 188 T CB -0.127 68.755 68.868 0.023 0.000 0.988 188 T HN 0.010 nan 8.240 nan 0.000 0.530 189 G N 1.335 110.097 108.800 -0.063 0.000 2.265 189 G HA2 0.341 4.295 3.960 -0.009 0.000 0.240 189 G HA3 0.341 4.295 3.960 -0.009 0.000 0.240 189 G C -0.599 174.235 174.900 -0.110 0.000 1.270 189 G CA -0.374 44.663 45.100 -0.105 0.000 0.901 189 G HN 0.584 nan 8.290 nan 0.000 0.507 190 K N 1.944 122.257 120.400 -0.146 0.000 2.619 190 K HA 0.171 4.485 4.320 -0.009 0.000 0.251 190 K C -0.090 176.388 176.600 -0.204 0.000 0.987 190 K CA -0.658 55.546 56.287 -0.137 0.000 0.844 190 K CB 1.400 33.856 32.500 -0.072 0.000 1.237 190 K HN 0.620 nan 8.250 nan 0.000 0.447 191 E N 3.362 123.449 120.200 -0.189 0.000 2.765 191 E HA -0.186 4.159 4.350 -0.009 0.000 0.256 191 E C -0.560 175.952 176.600 -0.145 0.000 0.935 191 E CA 1.202 57.491 56.400 -0.185 0.000 0.954 191 E CB 0.225 29.853 29.700 -0.120 0.000 0.908 191 E HN 0.684 nan 8.360 nan 0.000 0.500 192 D N 2.498 122.799 120.400 -0.165 0.000 3.059 192 D HA -0.241 4.394 4.640 -0.009 0.000 0.213 192 D C 0.511 176.866 176.300 0.092 0.000 1.144 192 D CA 1.234 55.263 54.000 0.049 0.000 0.975 192 D CB -0.457 40.403 40.800 0.101 0.000 1.125 192 D HN 0.402 nan 8.370 nan 0.000 0.412 193 I N -0.723 119.810 120.570 -0.061 0.000 3.669 193 I HA 0.209 4.374 4.170 -0.009 0.000 0.255 193 I C 0.986 177.178 176.117 0.124 0.000 1.144 193 I CA 0.417 61.762 61.300 0.076 0.000 1.447 193 I CB 0.140 38.159 38.000 0.032 0.000 1.622 193 I HN -0.128 nan 8.210 nan 0.000 0.435 194 I N 1.161 121.709 120.570 -0.036 0.000 2.389 194 I HA 0.253 4.417 4.170 -0.009 0.000 0.288 194 I C -1.430 174.661 176.117 -0.044 0.000 0.999 194 I CA -0.613 60.731 61.300 0.073 0.000 1.129 194 I CB 1.583 39.610 38.000 0.045 0.000 1.288 194 I HN -0.011 nan 8.210 nan 0.000 0.444 195 Y N 4.768 125.152 120.300 0.141 0.000 2.328 195 Y HA 0.408 4.952 4.550 -0.010 0.000 0.336 195 Y C 0.055 176.002 175.900 0.080 0.000 0.960 195 Y CA -1.006 57.177 58.100 0.138 0.000 1.134 195 Y CB 1.016 39.643 38.460 0.278 0.000 1.166 195 Y HN 0.432 nan 8.280 nan 0.000 0.464 196 N N 1.975 120.731 118.700 0.093 0.000 2.417 196 N HA 0.364 5.098 4.740 -0.009 0.000 0.274 196 N C 0.825 176.266 175.510 -0.115 0.000 0.987 196 N CA 0.410 53.443 53.050 -0.029 0.000 0.912 196 N CB 1.924 40.298 38.487 -0.187 0.000 1.177 196 N HN 0.961 nan 8.380 nan 0.000 0.490 197 G N 1.522 110.268 108.800 -0.090 0.000 2.212 197 G HA2 -0.261 3.694 3.960 -0.009 0.000 0.266 197 G HA3 -0.261 3.694 3.960 -0.009 0.000 0.266 197 G C 0.130 174.881 174.900 -0.248 0.000 0.978 197 G CA 0.831 45.808 45.100 -0.205 0.000 0.632 197 G HN 0.662 nan 8.290 nan 0.000 0.537 198 I N -1.733 118.767 120.570 -0.117 0.000 2.969 198 I HA 0.799 4.964 4.170 -0.009 0.000 0.307 198 I C 0.311 176.487 176.117 0.098 0.000 1.149 198 I CA -0.669 60.488 61.300 -0.239 0.000 1.008 198 I CB 2.011 39.700 38.000 -0.519 0.000 1.232 198 I HN 0.165 nan 8.210 nan 0.000 0.435 199 T N -0.397 114.145 114.554 -0.021 0.000 2.899 199 T HA 0.380 4.724 4.350 -0.009 0.000 0.284 199 T C -0.213 174.328 174.700 -0.264 0.000 1.004 199 T CA -0.648 61.308 62.100 -0.239 0.000 1.043 199 T CB 1.295 70.078 68.868 -0.142 0.000 1.013 199 T HN 0.769 nan 8.240 nan 0.000 0.518 200 D N 0.162 120.150 120.400 -0.687 0.000 2.478 200 D HA 0.050 4.684 4.640 -0.009 0.000 0.269 200 D C 0.955 177.189 176.300 -0.109 0.000 1.232 200 D CA -1.128 52.459 54.000 -0.688 0.000 1.059 200 D CB 0.158 40.467 40.800 -0.817 0.000 1.104 200 D HN 0.694 nan 8.370 nan 0.000 0.566 201 W N 0.230 121.491 121.300 -0.064 0.000 2.317 201 W HA -0.242 4.413 4.660 -0.009 0.000 0.318 201 W C 2.202 178.623 176.519 -0.164 0.000 1.227 201 W CA 2.555 59.851 57.345 -0.082 0.000 1.269 201 W CB -0.492 28.863 29.460 -0.175 0.000 1.155 201 W HN 0.198 nan 8.180 nan 0.000 0.484 202 V N -0.214 119.777 119.914 0.128 0.000 2.515 202 V HA -0.292 3.822 4.120 -0.009 0.000 0.250 202 V C 1.853 177.777 176.094 -0.284 0.000 1.058 202 V CA 1.994 64.246 62.300 -0.079 0.000 1.064 202 V CB -0.728 31.048 31.823 -0.079 0.000 0.675 202 V HN 0.306 nan 8.190 nan 0.000 0.461 203 Y N 0.537 120.657 120.300 -0.300 0.000 2.314 203 Y HA -0.133 4.411 4.550 -0.010 0.000 0.293 203 Y C 2.573 178.366 175.900 -0.178 0.000 1.129 203 Y CA 2.019 59.946 58.100 -0.287 0.000 1.201 203 Y CB -0.024 38.128 38.460 -0.513 0.000 0.999 203 Y HN 0.381 nan 8.280 nan 0.000 0.541 204 E N 0.325 120.479 120.200 -0.076 0.000 2.028 204 E HA -0.275 4.069 4.350 -0.009 0.000 0.191 204 E C 2.007 178.555 176.600 -0.087 0.000 0.988 204 E CA 1.484 57.868 56.400 -0.026 0.000 0.799 204 E CB 0.016 29.703 29.700 -0.023 0.000 0.755 204 E HN 0.397 nan 8.360 nan 0.000 0.447 205 E N 0.304 120.269 120.200 -0.393 0.000 2.046 205 E HA -0.155 4.189 4.350 -0.009 0.000 0.190 205 E C 1.634 178.106 176.600 -0.213 0.000 0.982 205 E CA 1.478 57.632 56.400 -0.411 0.000 0.800 205 E CB 0.151 29.245 29.700 -1.011 0.000 0.756 205 E HN 0.200 nan 8.360 nan 0.000 0.449 206 E N -0.616 119.434 120.200 -0.252 0.000 2.460 206 E HA 0.058 4.402 4.350 -0.009 0.000 0.200 206 E C 1.554 178.011 176.600 -0.239 0.000 1.011 206 E CA 0.546 56.840 56.400 -0.176 0.000 0.912 206 E CB 1.163 30.755 29.700 -0.180 0.000 0.953 206 E HN 0.277 nan 8.360 nan 0.000 0.494 207 V N -1.416 118.311 119.914 -0.312 0.000 3.029 207 V HA 0.115 4.229 4.120 -0.009 0.000 0.230 207 V C 0.889 176.744 176.094 -0.399 0.000 1.254 207 V CA 0.282 62.319 62.300 -0.438 0.000 1.276 207 V CB -0.078 31.311 31.823 -0.724 0.000 1.080 207 V HN -0.007 nan 8.190 nan 0.000 0.495 208 F N 1.692 121.644 119.950 0.004 0.000 2.746 208 F HA 0.418 4.939 4.527 -0.011 0.000 0.297 208 F C 1.589 177.347 175.800 -0.070 0.000 1.113 208 F CA 0.641 58.663 58.000 0.037 0.000 1.367 208 F CB -0.182 38.890 39.000 0.120 0.000 1.111 208 F HN 0.203 nan 8.300 nan 0.000 0.590 209 S N 0.399 116.100 115.700 0.002 0.000 3.521 209 S HA -0.018 4.447 4.470 -0.009 0.000 0.362 209 S C 0.122 174.311 174.600 -0.684 0.000 1.044 209 S CA 0.430 58.484 58.200 -0.244 0.000 1.091 209 S CB -1.831 61.283 63.200 -0.142 0.000 0.908 209 S HN 0.661 nan 8.310 nan 0.000 0.473 210 A N -0.652 121.993 122.820 -0.291 0.000 2.601 210 A HA 0.700 5.015 4.320 -0.009 0.000 0.291 210 A C -0.291 177.275 177.584 -0.029 0.000 1.075 210 A CA -0.491 51.407 52.037 -0.232 0.000 0.671 210 A CB 0.237 19.110 19.000 -0.212 0.000 1.277 210 A HN 0.320 nan 8.150 nan 0.000 0.417 211 Y N 1.127 121.278 120.300 -0.248 0.000 2.448 211 Y HA 0.229 4.773 4.550 -0.009 0.000 0.289 211 Y C 1.517 177.128 175.900 -0.482 0.000 1.114 211 Y CA 0.962 58.920 58.100 -0.236 0.000 1.235 211 Y CB 0.013 38.391 38.460 -0.136 0.000 1.045 211 Y HN 0.653 nan 8.280 nan 0.000 0.554 212 S N 0.529 115.688 115.700 -0.902 0.000 2.549 212 S HA 0.455 4.920 4.470 -0.009 0.000 0.283 212 S C 0.346 174.417 174.600 -0.881 0.000 1.320 212 S CA 0.212 57.641 58.200 -1.286 0.000 1.058 212 S CB 0.446 62.521 63.200 -1.875 0.000 0.882 212 S HN 0.417 nan 8.310 nan 0.000 0.498 213 A N 4.412 126.726 122.820 -0.844 0.000 2.806 213 A HA 0.513 4.828 4.320 -0.009 0.000 0.266 213 A C -0.763 176.141 177.584 -1.135 0.000 0.926 213 A CA -0.596 50.913 52.037 -0.879 0.000 1.068 213 A CB -0.353 18.549 19.000 -0.164 0.000 1.189 213 A HN 0.847 nan 8.150 nan 0.000 0.481 214 L N -4.921 115.464 121.223 -1.396 0.000 2.409 214 L HA 0.911 5.246 4.340 -0.009 0.000 0.262 214 L C -1.306 175.023 176.870 -0.903 0.000 0.992 214 L CA -1.111 53.222 54.840 -0.845 0.000 0.817 214 L CB 1.135 42.940 42.059 -0.424 0.000 1.350 214 L HN 0.212 nan 8.230 nan 0.000 0.411 215 W N 1.636 122.986 121.300 0.083 0.000 2.687 215 W HA 0.335 4.991 4.660 -0.007 0.000 0.328 215 W C -1.434 175.278 176.519 0.321 0.000 1.012 215 W CA -0.749 56.759 57.345 0.272 0.000 1.262 215 W CB 1.496 31.202 29.460 0.410 0.000 1.331 215 W HN 0.612 nan 8.180 nan 0.000 0.433 216 W N 2.217 123.682 121.300 0.275 0.000 2.150 216 W HA 0.229 4.882 4.660 -0.011 0.000 0.341 216 W C 1.264 177.495 176.519 -0.480 0.000 1.276 216 W CA 0.355 57.706 57.345 0.009 0.000 1.238 216 W CB 0.749 30.214 29.460 0.008 0.000 1.128 216 W HN 0.171 nan 8.180 nan 0.000 0.581 217 S N 1.736 117.091 115.700 -0.574 0.000 2.614 217 S HA 0.237 4.701 4.470 -0.009 0.000 0.265 217 S C -1.859 172.477 174.600 -0.442 0.000 1.303 217 S CA -1.064 56.295 58.200 -1.400 0.000 1.000 217 S CB 1.055 63.578 63.200 -1.128 0.000 0.935 217 S HN 0.258 nan 8.310 nan 0.000 0.551 218 P HA -0.200 nan 4.420 nan 0.000 0.217 218 P C 0.955 178.231 177.300 -0.040 0.000 1.162 218 P CA 1.852 64.926 63.100 -0.044 0.000 0.901 218 P CB -0.199 31.526 31.700 0.041 0.000 0.793 219 N N -2.302 116.368 118.700 -0.049 0.000 2.280 219 N HA 0.120 4.854 4.740 -0.009 0.000 0.192 219 N C 1.099 176.549 175.510 -0.099 0.000 1.109 219 N CA 0.752 53.770 53.050 -0.054 0.000 0.855 219 N CB -0.627 37.845 38.487 -0.027 0.000 0.974 219 N HN 0.222 nan 8.380 nan 0.000 0.482 220 G N -1.238 107.509 108.800 -0.089 0.000 2.175 220 G HA2 -0.311 3.644 3.960 -0.009 0.000 0.244 220 G HA3 -0.311 3.644 3.960 -0.009 0.000 0.244 220 G C 0.934 175.882 174.900 0.079 0.000 0.982 220 G CA 0.605 45.664 45.100 -0.067 0.000 0.641 220 G HN 0.357 nan 8.290 nan 0.000 0.527 221 T N 0.122 114.654 114.554 -0.036 0.000 2.737 221 T HA 0.211 4.555 4.350 -0.009 0.000 0.265 221 T C 0.889 175.450 174.700 -0.232 0.000 1.038 221 T CA 1.280 63.261 62.100 -0.199 0.000 1.144 221 T CB -0.090 68.529 68.868 -0.413 0.000 0.866 221 T HN 0.291 nan 8.240 nan 0.000 0.434 222 F N 0.269 120.253 119.950 0.057 0.000 2.432 222 F HA 0.620 5.143 4.527 -0.008 0.000 0.329 222 F C -0.189 175.648 175.800 0.061 0.000 1.076 222 F CA -1.532 56.526 58.000 0.097 0.000 1.018 222 F CB 1.094 40.232 39.000 0.230 0.000 1.201 222 F HN -0.106 nan 8.300 nan 0.000 0.489 223 L N 2.650 124.005 121.223 0.221 0.000 2.377 223 L HA 0.759 5.094 4.340 -0.009 0.000 0.270 223 L C -0.631 176.323 176.870 0.140 0.000 0.991 223 L CA -0.447 54.339 54.840 -0.091 0.000 0.851 223 L CB 0.633 42.384 42.059 -0.513 0.000 1.218 223 L HN 0.655 nan 8.230 nan 0.000 0.420 224 A N 4.542 127.538 122.820 0.293 0.000 2.304 224 A HA 0.788 5.102 4.320 -0.009 0.000 0.301 224 A C -1.331 176.341 177.584 0.146 0.000 1.132 224 A CA -0.168 51.940 52.037 0.118 0.000 0.819 224 A CB 0.546 19.715 19.000 0.283 0.000 1.094 224 A HN 0.926 nan 8.150 nan 0.000 0.492 225 Y N -2.018 118.067 120.300 -0.357 0.000 2.592 225 Y HA 0.709 5.255 4.550 -0.008 0.000 0.334 225 Y C -0.423 175.331 175.900 -0.243 0.000 1.136 225 Y CA -0.851 57.143 58.100 -0.177 0.000 1.042 225 Y CB 0.714 39.038 38.460 -0.228 0.000 1.325 225 Y HN 0.953 nan 8.280 nan 0.000 0.457 226 A N 2.448 125.339 122.820 0.117 0.000 2.320 226 A HA 0.700 5.014 4.320 -0.009 0.000 0.334 226 A C -1.133 176.311 177.584 -0.232 0.000 1.147 226 A CA -0.845 51.127 52.037 -0.108 0.000 0.820 226 A CB 1.720 20.617 19.000 -0.171 0.000 1.218 226 A HN 0.817 nan 8.150 nan 0.000 0.482 227 Q N 1.082 120.687 119.800 -0.325 0.000 2.310 227 Q HA 0.586 4.921 4.340 -0.009 0.000 0.270 227 Q C -2.046 173.715 176.000 -0.398 0.000 1.025 227 Q CA -0.357 55.347 55.803 -0.165 0.000 0.772 227 Q CB 1.000 29.867 28.738 0.214 0.000 1.253 227 Q HN 0.592 nan 8.270 nan 0.000 0.450 228 F N 2.300 122.342 119.950 0.154 0.000 2.450 228 F HA 0.424 4.946 4.527 -0.008 0.000 0.332 228 F C 0.436 176.383 175.800 0.245 0.000 1.093 228 F CA -0.929 57.135 58.000 0.107 0.000 1.003 228 F CB 1.316 40.272 39.000 -0.073 0.000 1.151 228 F HN 0.443 nan 8.300 nan 0.000 0.474 229 N N 1.702 120.621 118.700 0.365 0.000 2.483 229 N HA 0.225 4.960 4.740 -0.009 0.000 0.267 229 N C -0.821 174.866 175.510 0.295 0.000 0.998 229 N CA -0.378 52.854 53.050 0.304 0.000 0.918 229 N CB 0.996 39.606 38.487 0.206 0.000 1.215 229 N HN 0.517 nan 8.380 nan 0.000 0.500 230 D N 1.383 121.986 120.400 0.338 0.000 2.368 230 D HA 0.113 4.748 4.640 -0.009 0.000 0.218 230 D C 1.205 177.628 176.300 0.205 0.000 1.112 230 D CA 0.210 54.382 54.000 0.287 0.000 0.834 230 D CB 0.484 41.514 40.800 0.382 0.000 0.953 230 D HN 0.500 nan 8.370 nan 0.000 0.505 231 T N 0.574 115.231 114.554 0.172 0.000 2.653 231 T HA -0.236 4.108 4.350 -0.009 0.000 0.267 231 T C 1.305 176.066 174.700 0.101 0.000 1.037 231 T CA 1.380 63.552 62.100 0.120 0.000 1.159 231 T CB -0.062 68.866 68.868 0.100 0.000 0.859 231 T HN 0.343 nan 8.240 nan 0.000 0.449 232 E N 0.414 120.675 120.200 0.102 0.000 2.465 232 E HA 0.169 4.514 4.350 -0.009 0.000 0.195 232 E C -0.338 176.315 176.600 0.088 0.000 1.028 232 E CA -0.158 56.292 56.400 0.083 0.000 0.899 232 E CB 0.517 30.258 29.700 0.070 0.000 1.032 232 E HN 0.253 nan 8.360 nan 0.000 0.468 233 V N 3.751 123.732 119.914 0.112 0.000 2.508 233 V HA 0.092 4.206 4.120 -0.009 0.000 0.281 233 V C -1.985 174.169 176.094 0.101 0.000 1.041 233 V CA -1.405 60.964 62.300 0.115 0.000 1.016 233 V CB 0.366 32.276 31.823 0.146 0.000 0.984 233 V HN 0.028 nan 8.190 nan 0.000 0.478 234 P HA 0.198 nan 4.420 nan 0.000 0.269 234 P C -0.715 176.624 177.300 0.065 0.000 1.217 234 P CA -0.138 63.001 63.100 0.066 0.000 0.783 234 P CB 0.473 32.210 31.700 0.061 0.000 0.898 235 L N 1.892 123.131 121.223 0.026 0.000 2.317 235 L HA 0.474 4.808 4.340 -0.009 0.000 0.281 235 L C 0.219 177.043 176.870 -0.077 0.000 1.024 235 L CA -0.995 53.842 54.840 -0.005 0.000 0.810 235 L CB 1.195 43.245 42.059 -0.015 0.000 1.240 235 L HN 0.286 nan 8.230 nan 0.000 0.427 236 I N 2.467 122.945 120.570 -0.153 0.000 2.396 236 I HA 0.273 4.437 4.170 -0.009 0.000 0.292 236 I C -0.367 175.598 176.117 -0.253 0.000 0.999 236 I CA 0.235 61.350 61.300 -0.308 0.000 1.310 236 I CB 0.911 38.482 38.000 -0.714 0.000 1.404 236 I HN 0.573 nan 8.210 nan 0.000 0.496 237 E N 7.355 127.427 120.200 -0.213 0.000 2.248 237 E HA 0.548 4.892 4.350 -0.009 0.000 0.267 237 E C -1.793 174.732 176.600 -0.124 0.000 0.877 237 E CA -0.634 55.631 56.400 -0.225 0.000 0.759 237 E CB 2.170 31.773 29.700 -0.162 0.000 1.182 237 E HN 0.579 nan 8.360 nan 0.000 0.418 238 Y N -1.980 118.234 120.300 -0.143 0.000 2.592 238 Y HA 0.510 5.055 4.550 -0.010 0.000 0.334 238 Y C -0.756 175.076 175.900 -0.113 0.000 1.136 238 Y CA -1.250 56.772 58.100 -0.129 0.000 1.042 238 Y CB 0.826 39.213 38.460 -0.121 0.000 1.325 238 Y HN 0.233 nan 8.280 nan 0.000 0.457 239 S N 2.010 117.714 115.700 0.006 0.000 2.580 239 S HA 0.483 4.947 4.470 -0.009 0.000 0.274 239 S C -1.362 173.119 174.600 -0.199 0.000 1.329 239 S CA -0.334 57.735 58.200 -0.218 0.000 1.036 239 S CB 0.511 63.436 63.200 -0.459 0.000 0.919 239 S HN 0.541 nan 8.310 nan 0.000 0.515 240 F N 1.951 121.641 119.950 -0.434 0.000 2.507 240 F HA 0.433 4.954 4.527 -0.009 0.000 0.328 240 F C -0.329 175.219 175.800 -0.419 0.000 1.136 240 F CA -0.906 56.928 58.000 -0.277 0.000 0.930 240 F CB 0.849 39.815 39.000 -0.056 0.000 1.166 240 F HN 0.644 nan 8.300 nan 0.000 0.436 241 Y N 2.781 122.858 120.300 -0.371 0.000 2.448 241 Y HA 0.126 4.671 4.550 -0.009 0.000 0.289 241 Y C 1.700 177.509 175.900 -0.151 0.000 1.114 241 Y CA 1.090 59.064 58.100 -0.212 0.000 1.235 241 Y CB -0.532 37.796 38.460 -0.219 0.000 1.045 241 Y HN 0.739 nan 8.280 nan 0.000 0.554 242 S N -0.220 115.355 115.700 -0.208 0.000 3.513 242 S HA -0.221 4.244 4.470 -0.009 0.000 0.636 242 S C -0.499 174.136 174.600 0.057 0.000 2.452 242 S CA 0.246 58.490 58.200 0.074 0.000 2.644 242 S CB -1.130 62.222 63.200 0.253 0.000 0.331 242 S HN 0.452 nan 8.310 nan 0.000 1.787 243 D N 1.491 121.947 120.400 0.094 0.000 2.378 243 D HA 0.151 4.785 4.640 -0.009 0.000 0.238 243 D C 1.410 177.739 176.300 0.048 0.000 1.180 243 D CA 0.436 54.474 54.000 0.063 0.000 0.895 243 D CB 0.158 40.998 40.800 0.066 0.000 1.192 243 D HN 0.634 nan 8.370 nan 0.000 0.438 244 E N 0.405 120.623 120.200 0.029 0.000 2.171 244 E HA -0.236 4.108 4.350 -0.009 0.000 0.197 244 E C 1.554 178.166 176.600 0.020 0.000 0.997 244 E CA 1.410 57.819 56.400 0.016 0.000 0.810 244 E CB 0.134 29.838 29.700 0.006 0.000 0.738 244 E HN 0.449 nan 8.360 nan 0.000 0.467 245 S N 0.195 115.912 115.700 0.029 0.000 2.447 245 S HA -0.087 4.378 4.470 -0.009 0.000 0.233 245 S C 1.172 175.796 174.600 0.040 0.000 1.006 245 S CA 0.053 58.272 58.200 0.030 0.000 0.957 245 S CB -0.215 63.006 63.200 0.034 0.000 0.773 245 S HN 0.263 nan 8.310 nan 0.000 0.507 246 L N 2.504 123.759 121.223 0.054 0.000 2.530 246 L HA 0.114 4.449 4.340 -0.009 0.000 0.273 246 L C 1.608 178.512 176.870 0.056 0.000 1.141 246 L CA 0.129 55.013 54.840 0.073 0.000 0.905 246 L CB 0.834 42.950 42.059 0.095 0.000 1.202 246 L HN 0.467 nan 8.230 nan 0.000 0.473 247 Q N 4.216 124.054 119.800 0.065 0.000 2.079 247 Q HA -0.111 4.224 4.340 -0.009 0.000 0.200 247 Q C -0.599 175.323 176.000 -0.131 0.000 0.974 247 Q CA 1.418 57.208 55.803 -0.021 0.000 0.840 247 Q CB 0.203 28.957 28.738 0.026 0.000 0.898 247 Q HN 0.596 nan 8.270 nan 0.000 0.430 248 Y N 0.490 120.802 120.300 0.019 0.000 2.335 248 Y HA 0.390 4.934 4.550 -0.009 0.000 0.338 248 Y C -2.057 173.847 175.900 0.008 0.000 0.977 248 Y CA -2.989 55.118 58.100 0.012 0.000 1.114 248 Y CB 1.308 39.767 38.460 -0.001 0.000 1.182 248 Y HN 0.137 nan 8.280 nan 0.000 0.463 249 P HA 0.065 nan 4.420 nan 0.000 0.269 249 P C -0.976 176.327 177.300 0.005 0.000 1.215 249 P CA -0.475 62.630 63.100 0.008 0.000 0.780 249 P CB 0.542 32.181 31.700 -0.101 0.000 0.898 250 K N -0.084 120.305 120.400 -0.017 0.000 2.118 250 K HA 0.575 4.889 4.320 -0.009 0.000 0.254 250 K C -0.826 175.730 176.600 -0.072 0.000 0.961 250 K CA -0.677 55.602 56.287 -0.014 0.000 0.876 250 K CB 0.712 33.225 32.500 0.021 0.000 1.077 250 K HN 0.168 nan 8.250 nan 0.000 0.440 251 T N 1.956 116.453 114.554 -0.095 0.000 2.743 251 T HA 0.216 4.561 4.350 -0.009 0.000 0.292 251 T C -0.303 174.272 174.700 -0.209 0.000 0.972 251 T CA -0.682 61.327 62.100 -0.152 0.000 0.967 251 T CB 0.951 69.743 68.868 -0.127 0.000 0.926 251 T HN 0.364 nan 8.240 nan 0.000 0.459 252 V N 6.122 125.820 119.914 -0.360 0.000 2.546 252 V HA 0.534 4.649 4.120 -0.009 0.000 0.284 252 V C 0.383 176.190 176.094 -0.479 0.000 1.050 252 V CA -0.630 61.398 62.300 -0.454 0.000 0.981 252 V CB 0.664 32.060 31.823 -0.710 0.000 0.990 252 V HN 0.794 nan 8.190 nan 0.000 0.474 253 R N 4.080 124.429 120.500 -0.252 0.000 2.533 253 R HA 0.786 5.121 4.340 -0.009 0.000 0.288 253 R C -1.677 174.600 176.300 -0.039 0.000 1.039 253 R CA -0.592 55.403 56.100 -0.174 0.000 0.909 253 R CB 1.728 31.957 30.300 -0.119 0.000 1.195 253 R HN 0.530 nan 8.270 nan 0.000 0.438 254 V N 0.870 120.771 119.914 -0.022 0.000 2.841 254 V HA 0.581 4.696 4.120 -0.009 0.000 0.310 254 V C -2.850 173.301 176.094 0.095 0.000 1.090 254 V CA -2.459 59.906 62.300 0.108 0.000 0.930 254 V CB 2.666 34.608 31.823 0.198 0.000 1.014 254 V HN 0.610 nan 8.190 nan 0.000 0.425 255 P HA 0.228 nan 4.420 nan 0.000 0.265 255 P C -1.743 175.669 177.300 0.186 0.000 1.222 255 P CA 0.626 63.836 63.100 0.184 0.000 0.767 255 P CB -0.352 31.500 31.700 0.253 0.000 0.801 256 Y N 6.594 126.874 120.300 -0.033 0.000 2.315 256 Y HA 0.397 4.942 4.550 -0.009 0.000 0.324 256 Y C -2.756 173.120 175.900 -0.040 0.000 1.062 256 Y CA -2.907 55.124 58.100 -0.115 0.000 1.159 256 Y CB 1.826 40.090 38.460 -0.328 0.000 1.145 256 Y HN 0.281 nan 8.280 nan 0.000 0.442 257 P HA 0.273 nan 4.420 nan 0.000 0.292 257 P C -1.023 176.336 177.300 0.098 0.000 1.326 257 P CA -0.274 62.877 63.100 0.084 0.000 0.787 257 P CB 1.563 33.294 31.700 0.051 0.000 0.903 258 K N 1.979 122.514 120.400 0.225 0.000 2.102 258 K HA 0.518 4.832 4.320 -0.009 0.000 0.244 258 K C 0.507 177.206 176.600 0.165 0.000 1.021 258 K CA -0.750 55.687 56.287 0.250 0.000 0.913 258 K CB 0.626 33.285 32.500 0.265 0.000 1.062 258 K HN 0.457 nan 8.250 nan 0.000 0.485 259 A N 0.829 123.769 122.820 0.200 0.000 2.573 259 A HA 0.247 4.561 4.320 -0.009 0.000 0.250 259 A C 1.201 178.820 177.584 0.059 0.000 1.049 259 A CA 1.107 53.248 52.037 0.173 0.000 0.767 259 A CB -1.286 17.899 19.000 0.308 0.000 0.965 259 A HN 0.916 nan 8.150 nan 0.000 0.514 260 G N 0.958 109.783 108.800 0.042 0.000 2.205 260 G HA2 0.100 4.055 3.960 -0.009 0.000 0.261 260 G HA3 0.100 4.055 3.960 -0.009 0.000 0.261 260 G C 0.685 175.596 174.900 0.018 0.000 0.980 260 G CA 0.810 45.907 45.100 -0.004 0.000 0.632 260 G HN 2.188 nan 8.290 nan 0.000 0.533 261 A N -0.401 122.448 122.820 0.048 0.000 2.249 261 A HA 0.757 5.071 4.320 -0.009 0.000 0.281 261 A C 0.846 178.463 177.584 0.056 0.000 1.127 261 A CA 0.294 52.364 52.037 0.055 0.000 0.833 261 A CB 0.663 19.711 19.000 0.079 0.000 1.140 261 A HN 1.146 nan 8.150 nan 0.000 0.502 262 V N 2.299 122.248 119.914 0.058 0.000 2.529 262 V HA 0.031 4.146 4.120 -0.009 0.000 0.292 262 V C 0.297 176.438 176.094 0.080 0.000 1.028 262 V CA -0.034 62.301 62.300 0.060 0.000 1.074 262 V CB -0.111 31.747 31.823 0.059 0.000 0.958 262 V HN 0.787 nan 8.190 nan 0.000 0.481 263 N N 6.295 125.043 118.700 0.080 0.000 2.495 263 N HA 0.484 5.218 4.740 -0.009 0.000 0.280 263 N C -2.343 173.255 175.510 0.146 0.000 1.168 263 N CA -1.476 51.645 53.050 0.118 0.000 0.978 263 N CB 1.230 39.786 38.487 0.116 0.000 1.191 263 N HN 0.407 nan 8.380 nan 0.000 0.497 264 P HA 0.127 nan 4.420 nan 0.000 0.274 264 P C -0.514 176.944 177.300 0.263 0.000 1.237 264 P CA -0.195 63.058 63.100 0.254 0.000 0.793 264 P CB 0.508 32.397 31.700 0.316 0.000 0.977 265 T N -1.704 112.985 114.554 0.225 0.000 2.936 265 T HA 0.595 4.939 4.350 -0.009 0.000 0.282 265 T C -0.256 174.577 174.700 0.221 0.000 1.003 265 T CA -0.837 61.361 62.100 0.162 0.000 1.005 265 T CB 1.462 70.391 68.868 0.101 0.000 1.097 265 T HN 0.351 nan 8.240 nan 0.000 0.532 266 V N 0.209 120.228 119.914 0.175 0.000 2.925 266 V HA 0.733 4.848 4.120 -0.009 0.000 0.311 266 V C -1.546 174.635 176.094 0.145 0.000 1.104 266 V CA -0.862 61.514 62.300 0.127 0.000 0.954 266 V CB 2.117 34.052 31.823 0.187 0.000 1.022 266 V HN 1.042 nan 8.190 nan 0.000 0.427 267 K N 4.290 124.710 120.400 0.034 0.000 2.435 267 K HA 0.599 4.913 4.320 -0.009 0.000 0.251 267 K C -1.939 174.582 176.600 -0.131 0.000 0.954 267 K CA -0.521 55.747 56.287 -0.032 0.000 0.820 267 K CB 2.782 35.253 32.500 -0.048 0.000 1.292 267 K HN 0.551 nan 8.250 nan 0.000 0.436 268 F N 2.204 121.847 119.950 -0.512 0.000 2.540 268 F HA 0.569 5.089 4.527 -0.012 0.000 0.317 268 F C -1.497 173.760 175.800 -0.904 0.000 1.104 268 F CA -0.689 57.003 58.000 -0.513 0.000 0.913 268 F CB 0.880 39.717 39.000 -0.271 0.000 1.170 268 F HN 0.385 nan 8.300 nan 0.000 0.450 269 F N 3.715 122.942 119.950 -1.204 0.000 2.620 269 F HA 0.791 5.313 4.527 -0.009 0.000 0.320 269 F C -0.988 174.168 175.800 -1.073 0.000 1.069 269 F CA -1.262 56.146 58.000 -0.986 0.000 0.953 269 F CB 2.021 40.397 39.000 -1.039 0.000 1.322 269 F HN 0.132 nan 8.300 nan 0.000 0.479 270 V N 2.145 121.858 119.914 -0.334 0.000 2.623 270 V HA 0.620 4.735 4.120 -0.009 0.000 0.304 270 V C -1.302 174.891 176.094 0.165 0.000 1.054 270 V CA -0.789 61.396 62.300 -0.191 0.000 0.882 270 V CB 2.023 33.523 31.823 -0.538 0.000 1.002 270 V HN 0.623 nan 8.190 nan 0.000 0.424 271 V N 4.577 124.656 119.914 0.276 0.000 2.656 271 V HA 0.529 4.644 4.120 -0.009 0.000 0.307 271 V C -0.178 176.129 176.094 0.355 0.000 1.051 271 V CA -0.624 61.859 62.300 0.304 0.000 0.893 271 V CB 2.026 33.962 31.823 0.189 0.000 0.999 271 V HN 1.007 nan 8.190 nan 0.000 0.426 272 N N 3.063 121.939 118.700 0.293 0.000 2.406 272 N HA 0.144 4.878 4.740 -0.009 0.000 0.251 272 N C 1.117 176.597 175.510 -0.049 0.000 1.069 272 N CA 0.356 53.417 53.050 0.019 0.000 0.947 272 N CB 1.208 39.670 38.487 -0.042 0.000 1.111 272 N HN 0.885 nan 8.380 nan 0.000 0.497 273 T N -0.128 114.387 114.554 -0.064 0.000 3.113 273 T HA 0.020 4.364 4.350 -0.009 0.000 0.256 273 T C 0.528 175.179 174.700 -0.083 0.000 1.131 273 T CA 0.501 62.580 62.100 -0.036 0.000 1.074 273 T CB 0.119 69.062 68.868 0.125 0.000 0.944 273 T HN 0.404 nan 8.240 nan 0.000 0.516 274 D N 1.088 121.413 120.400 -0.126 0.000 2.339 274 D HA 0.170 4.804 4.640 -0.009 0.000 0.217 274 D C 1.108 177.343 176.300 -0.109 0.000 1.050 274 D CA 0.242 54.174 54.000 -0.113 0.000 0.856 274 D CB 0.313 41.033 40.800 -0.133 0.000 0.922 274 D HN 0.399 nan 8.370 nan 0.000 0.518 275 S N 0.378 116.008 115.700 -0.117 0.000 2.593 275 S HA 0.159 4.623 4.470 -0.009 0.000 0.236 275 S C 0.794 175.319 174.600 -0.125 0.000 0.991 275 S CA -0.453 57.695 58.200 -0.086 0.000 0.963 275 S CB 0.376 63.556 63.200 -0.033 0.000 0.865 275 S HN 0.261 nan 8.310 nan 0.000 0.488 276 L N 0.707 121.776 121.223 -0.257 0.000 2.350 276 L HA 0.620 4.954 4.340 -0.009 0.000 0.275 276 L C 0.782 177.421 176.870 -0.386 0.000 1.099 276 L CA -0.450 54.141 54.840 -0.415 0.000 0.808 276 L CB 0.878 42.447 42.059 -0.817 0.000 1.149 276 L HN 0.160 nan 8.230 nan 0.000 0.442 277 S N 1.744 117.354 115.700 -0.150 0.000 2.696 277 S HA 0.246 4.710 4.470 -0.009 0.000 0.172 277 S C 1.009 175.825 174.600 0.361 0.000 0.767 277 S CA 0.700 58.941 58.200 0.069 0.000 0.856 277 S CB 0.164 63.406 63.200 0.070 0.000 0.782 277 S HN 1.126 nan 8.310 nan 0.000 0.582 278 S N -1.336 114.549 115.700 0.308 0.000 2.026 278 S HA -0.037 4.428 4.470 -0.009 0.000 0.121 278 S C 0.986 175.695 174.600 0.181 0.000 0.593 278 S CA 0.407 58.786 58.200 0.299 0.000 1.663 278 S CB -0.968 62.357 63.200 0.208 0.000 0.929 278 S HN 0.504 nan 8.310 nan 0.000 0.407 279 V N 2.378 122.375 119.914 0.139 0.000 2.672 279 V HA 0.296 4.410 4.120 -0.009 0.000 0.242 279 V C 1.150 177.297 176.094 0.089 0.000 1.059 279 V CA 1.596 63.955 62.300 0.098 0.000 1.081 279 V CB -0.145 31.720 31.823 0.070 0.000 0.752 279 V HN 0.608 nan 8.190 nan 0.000 0.472 280 T N 1.545 116.151 114.554 0.086 0.000 2.909 280 T HA 0.320 4.664 4.350 -0.009 0.000 0.286 280 T C -0.078 174.677 174.700 0.093 0.000 1.002 280 T CA -0.366 61.773 62.100 0.065 0.000 1.074 280 T CB 0.701 69.597 68.868 0.046 0.000 0.984 280 T HN 0.200 nan 8.240 nan 0.000 0.495 281 N N 1.677 120.422 118.700 0.075 0.000 2.514 281 N HA 0.405 5.139 4.740 -0.009 0.000 0.277 281 N C 0.055 175.620 175.510 0.093 0.000 1.126 281 N CA -0.351 52.772 53.050 0.122 0.000 0.978 281 N CB 0.865 39.392 38.487 0.066 0.000 1.106 281 N HN 0.801 nan 8.380 nan 0.000 0.461 282 A N 1.726 124.610 122.820 0.106 0.000 2.561 282 A HA 0.162 4.477 4.320 -0.009 0.000 0.234 282 A C 0.289 177.914 177.584 0.067 0.000 1.055 282 A CA 0.300 52.369 52.037 0.054 0.000 0.756 282 A CB -0.150 18.861 19.000 0.019 0.000 0.986 282 A HN 0.550 nan 8.150 nan 0.000 0.505 283 T N 2.617 117.216 114.554 0.075 0.000 2.767 283 T HA 0.440 4.784 4.350 -0.009 0.000 0.288 283 T C 0.052 174.835 174.700 0.139 0.000 0.963 283 T CA -0.023 62.137 62.100 0.100 0.000 1.019 283 T CB 0.821 69.756 68.868 0.112 0.000 0.923 283 T HN 0.529 nan 8.240 nan 0.000 0.468 284 S N 3.201 118.984 115.700 0.137 0.000 2.448 284 S HA 0.435 4.900 4.470 -0.009 0.000 0.320 284 S C -0.140 174.624 174.600 0.272 0.000 1.071 284 S CA -0.678 57.633 58.200 0.185 0.000 1.113 284 S CB 0.149 63.387 63.200 0.064 0.000 0.972 284 S HN 0.448 nan 8.310 nan 0.000 0.465 285 I N 3.343 124.084 120.570 0.285 0.000 2.352 285 I HA 0.223 4.388 4.170 -0.009 0.000 0.290 285 I C 0.571 176.804 176.117 0.194 0.000 1.036 285 I CA 0.046 61.518 61.300 0.286 0.000 1.336 285 I CB 0.849 39.098 38.000 0.416 0.000 1.407 285 I HN 0.573 nan 8.210 nan 0.000 0.497 286 Q N 6.235 126.113 119.800 0.129 0.000 2.261 286 Q HA 0.526 4.860 4.340 -0.009 0.000 0.252 286 Q C -1.030 174.913 176.000 -0.094 0.000 0.915 286 Q CA -0.471 55.228 55.803 -0.174 0.000 0.915 286 Q CB 1.016 29.596 28.738 -0.262 0.000 1.204 286 Q HN 0.555 nan 8.270 nan 0.000 0.421 287 I N 4.292 124.793 120.570 -0.115 0.000 2.354 287 I HA 0.205 4.369 4.170 -0.009 0.000 0.286 287 I C 0.675 176.783 176.117 -0.015 0.000 1.007 287 I CA -0.393 60.910 61.300 0.005 0.000 1.167 287 I CB 1.412 39.461 38.000 0.082 0.000 1.320 287 I HN 0.775 nan 8.210 nan 0.000 0.458 288 T N 3.313 117.816 114.554 -0.084 0.000 2.923 288 T HA 0.829 5.174 4.350 -0.009 0.000 0.282 288 T C 0.710 175.210 174.700 -0.333 0.000 1.137 288 T CA 0.194 62.183 62.100 -0.186 0.000 0.958 288 T CB 0.967 69.736 68.868 -0.164 0.000 1.961 288 T HN 0.928 nan 8.240 nan 0.000 0.586 289 A N 0.742 123.316 122.820 -0.411 0.000 6.484 289 A HA 0.007 4.322 4.320 -0.009 0.000 0.261 289 A C -2.658 174.384 177.584 -0.904 0.000 2.084 289 A CA 0.095 51.836 52.037 -0.494 0.000 0.721 289 A CB -2.751 16.070 19.000 -0.299 0.000 1.059 289 A HN 0.859 nan 8.150 nan 0.000 0.382 290 P HA 0.500 nan 4.420 nan 0.000 0.276 290 P C 0.940 178.030 177.300 -0.349 0.000 1.244 290 P CA 0.504 63.369 63.100 -0.392 0.000 0.801 290 P CB 0.840 32.385 31.700 -0.259 0.000 1.006 291 A N 1.867 124.550 122.820 -0.229 0.000 1.948 291 A HA -0.210 4.105 4.320 -0.009 0.000 0.220 291 A C 2.055 179.527 177.584 -0.186 0.000 1.177 291 A CA 2.467 54.389 52.037 -0.192 0.000 0.636 291 A CB -1.912 17.009 19.000 -0.132 0.000 0.815 291 A HN 0.622 nan 8.150 nan 0.000 0.449 292 S N -1.483 114.126 115.700 -0.152 0.000 2.469 292 S HA -0.105 4.360 4.470 -0.009 0.000 0.238 292 S C 1.686 176.191 174.600 -0.158 0.000 0.998 292 S CA 1.587 59.711 58.200 -0.127 0.000 0.957 292 S CB -0.278 62.918 63.200 -0.007 0.000 0.764 292 S HN 0.415 nan 8.310 nan 0.000 0.514 293 M N 0.679 120.127 119.600 -0.253 0.000 2.718 293 M HA 0.380 4.854 4.480 -0.009 0.000 0.259 293 M C 2.041 178.063 176.300 -0.464 0.000 1.240 293 M CA 0.601 55.682 55.300 -0.365 0.000 1.210 293 M CB -1.240 30.999 32.600 -0.603 0.000 1.281 293 M HN 0.291 nan 8.290 nan 0.000 0.515 294 L N 1.358 122.290 121.223 -0.486 0.000 2.351 294 L HA -0.180 4.154 4.340 -0.009 0.000 0.220 294 L C 2.279 179.067 176.870 -0.137 0.000 1.127 294 L CA 0.810 55.460 54.840 -0.316 0.000 0.786 294 L CB -0.956 40.943 42.059 -0.267 0.000 0.914 294 L HN 0.342 nan 8.230 nan 0.000 0.443 295 I N -2.762 117.728 120.570 -0.133 0.000 2.700 295 I HA 0.078 4.243 4.170 -0.009 0.000 0.261 295 I C 1.059 177.151 176.117 -0.042 0.000 1.219 295 I CA 0.779 62.029 61.300 -0.083 0.000 1.463 295 I CB -0.518 37.424 38.000 -0.097 0.000 1.092 295 I HN 0.126 nan 8.210 nan 0.000 0.452 296 G N 0.056 108.851 108.800 -0.007 0.000 2.561 296 G HA2 0.238 4.192 3.960 -0.009 0.000 0.310 296 G HA3 0.238 4.192 3.960 -0.009 0.000 0.310 296 G C -1.843 173.124 174.900 0.112 0.000 1.292 296 G CA -0.630 44.486 45.100 0.026 0.000 0.811 296 G HN 0.037 nan 8.290 nan 0.000 0.482 297 D N 1.344 121.756 120.400 0.021 0.000 2.488 297 D HA 0.422 5.056 4.640 -0.009 0.000 0.238 297 D C 0.476 176.729 176.300 -0.079 0.000 1.138 297 D CA 0.850 54.806 54.000 -0.074 0.000 0.873 297 D CB 0.352 41.071 40.800 -0.136 0.000 1.183 297 D HN 0.554 nan 8.370 nan 0.000 0.458 298 H N -0.744 118.189 119.070 -0.228 0.000 2.933 298 H HA 0.470 5.021 4.556 -0.008 0.000 0.310 298 H C -1.346 173.854 175.328 -0.213 0.000 1.351 298 H CA -0.806 55.108 56.048 -0.222 0.000 1.137 298 H CB 0.351 30.123 29.762 0.016 0.000 1.853 298 H HN 0.310 nan 8.280 nan 0.000 0.539 299 Y N -0.205 120.317 120.300 0.370 0.000 2.581 299 Y HA 0.428 4.972 4.550 -0.010 0.000 0.345 299 Y C -0.547 175.606 175.900 0.423 0.000 1.036 299 Y CA -1.154 57.160 58.100 0.357 0.000 1.042 299 Y CB 1.934 40.460 38.460 0.110 0.000 1.289 299 Y HN 0.494 nan 8.280 nan 0.000 0.471 300 L N 2.669 124.214 121.223 0.536 0.000 2.257 300 L HA 0.448 4.782 4.340 -0.009 0.000 0.290 300 L C 0.329 177.240 176.870 0.068 0.000 1.044 300 L CA -0.338 54.483 54.840 -0.033 0.000 0.810 300 L CB 0.507 42.486 42.059 -0.134 0.000 1.193 300 L HN 0.973 nan 8.230 nan 0.000 0.425 301 C N 1.276 120.480 119.300 -0.160 0.000 3.228 301 C HA 0.528 4.982 4.460 -0.009 0.000 0.290 301 C C 0.212 175.027 174.990 -0.293 0.000 1.301 301 C CA -0.371 58.479 59.018 -0.280 0.000 1.703 301 C CB -0.707 26.933 27.740 -0.167 0.000 2.141 301 C HN 0.854 nan 8.230 nan 0.000 0.656 302 D N -0.047 120.213 120.400 -0.234 0.000 2.706 302 D HA 0.366 5.000 4.640 -0.009 0.000 0.227 302 D C -1.858 174.180 176.300 -0.437 0.000 1.233 302 D CA 0.101 53.989 54.000 -0.187 0.000 0.768 302 D CB 2.528 43.218 40.800 -0.184 0.000 1.490 302 D HN 0.334 nan 8.370 nan 0.000 0.458 303 V N 1.620 121.217 119.914 -0.530 0.000 2.612 303 V HA 0.725 4.839 4.120 -0.009 0.000 0.301 303 V C -1.696 174.036 176.094 -0.604 0.000 1.059 303 V CA 0.039 61.833 62.300 -0.844 0.000 0.886 303 V CB 1.775 32.717 31.823 -1.468 0.000 1.007 303 V HN 0.597 nan 8.190 nan 0.000 0.426 304 T N 6.536 120.825 114.554 -0.441 0.000 2.949 304 T HA 0.422 4.767 4.350 -0.009 0.000 0.300 304 T C -0.993 173.579 174.700 -0.214 0.000 0.988 304 T CA -0.156 61.834 62.100 -0.184 0.000 0.993 304 T CB 0.907 69.742 68.868 -0.055 0.000 0.984 304 T HN 0.756 nan 8.240 nan 0.000 0.442 305 W N 2.184 123.423 121.300 -0.103 0.000 2.216 305 W HA 0.463 5.116 4.660 -0.012 0.000 0.326 305 W C 1.165 177.539 176.519 -0.242 0.000 1.319 305 W CA -0.282 56.989 57.345 -0.124 0.000 1.213 305 W CB 0.515 29.990 29.460 0.025 0.000 1.171 305 W HN 0.851 nan 8.180 nan 0.000 0.557 306 A N 2.116 124.778 122.820 -0.263 0.000 1.920 306 A HA 0.191 4.506 4.320 -0.009 0.000 0.209 306 A C 0.950 178.479 177.584 -0.093 0.000 1.229 306 A CA 1.591 53.243 52.037 -0.640 0.000 0.671 306 A CB -0.378 17.842 19.000 -1.300 0.000 0.886 306 A HN 0.544 nan 8.150 nan 0.000 0.461 307 T N -5.680 108.929 114.554 0.093 0.000 2.618 307 T HA 0.333 4.678 4.350 -0.009 0.000 0.293 307 T C 0.155 175.037 174.700 0.303 0.000 1.093 307 T CA -0.347 61.861 62.100 0.181 0.000 1.061 307 T CB 0.558 69.515 68.868 0.148 0.000 1.498 307 T HN -0.050 nan 8.240 nan 0.000 0.494 308 Q N 0.333 120.283 119.800 0.249 0.000 2.291 308 Q HA 0.084 4.419 4.340 -0.009 0.000 0.205 308 Q C 0.711 176.988 176.000 0.461 0.000 0.970 308 Q CA 1.343 57.310 55.803 0.274 0.000 0.876 308 Q CB -0.081 28.774 28.738 0.195 0.000 0.935 308 Q HN 0.807 nan 8.270 nan 0.000 0.455 309 E N -0.159 120.298 120.200 0.427 0.000 2.968 309 E HA 0.207 4.551 4.350 -0.009 0.000 0.202 309 E C -0.329 176.534 176.600 0.439 0.000 0.979 309 E CA -0.149 56.511 56.400 0.433 0.000 1.192 309 E CB 1.069 30.934 29.700 0.276 0.000 1.059 309 E HN -0.055 nan 8.360 nan 0.000 0.470 310 R N 1.653 122.418 120.500 0.441 0.000 2.533 310 R HA 0.505 4.840 4.340 -0.009 0.000 0.288 310 R C -1.792 174.493 176.300 -0.026 0.000 1.039 310 R CA -0.467 55.760 56.100 0.212 0.000 0.909 310 R CB 1.376 31.706 30.300 0.050 0.000 1.195 310 R HN 0.125 nan 8.270 nan 0.000 0.438 311 I N 3.156 123.547 120.570 -0.299 0.000 2.545 311 I HA 0.396 4.560 4.170 -0.009 0.000 0.292 311 I C -0.805 174.986 176.117 -0.543 0.000 1.040 311 I CA -0.482 60.373 61.300 -0.741 0.000 1.068 311 I CB 2.215 39.337 38.000 -1.464 0.000 1.251 311 I HN 0.802 nan 8.210 nan 0.000 0.424 312 S N 7.391 122.773 115.700 -0.530 0.000 2.475 312 S HA 0.767 5.231 4.470 -0.009 0.000 0.298 312 S C -0.994 173.312 174.600 -0.490 0.000 1.119 312 S CA -0.711 57.267 58.200 -0.370 0.000 1.085 312 S CB 1.822 64.923 63.200 -0.166 0.000 1.028 312 S HN 0.444 nan 8.310 nan 0.000 0.489 313 L N 2.072 123.028 121.223 -0.444 0.000 2.386 313 L HA 0.530 4.865 4.340 -0.009 0.000 0.271 313 L C -0.353 176.252 176.870 -0.441 0.000 0.993 313 L CA -0.173 54.301 54.840 -0.610 0.000 0.819 313 L CB 2.059 43.688 42.059 -0.716 0.000 1.294 313 L HN 0.826 nan 8.230 nan 0.000 0.414 314 Q N 2.110 121.594 119.800 -0.527 0.000 2.331 314 Q HA 0.445 4.780 4.340 -0.009 0.000 0.267 314 Q C -1.657 174.118 176.000 -0.376 0.000 1.006 314 Q CA -0.483 55.136 55.803 -0.307 0.000 0.818 314 Q CB 1.987 30.590 28.738 -0.226 0.000 1.276 314 Q HN 0.489 nan 8.270 nan 0.000 0.450 315 W N 2.553 123.813 121.300 -0.067 0.000 2.639 315 W HA 0.633 5.285 4.660 -0.013 0.000 0.347 315 W C -0.813 175.744 176.519 0.062 0.000 1.067 315 W CA -0.667 56.690 57.345 0.019 0.000 1.218 315 W CB 1.037 30.494 29.460 -0.006 0.000 1.393 315 W HN 0.386 nan 8.180 nan 0.000 0.557 316 L N 2.435 123.889 121.223 0.385 0.000 2.436 316 L HA 0.561 4.895 4.340 -0.009 0.000 0.268 316 L C -0.189 176.870 176.870 0.315 0.000 0.974 316 L CA -1.142 53.882 54.840 0.307 0.000 0.826 316 L CB 1.319 43.536 42.059 0.264 0.000 1.291 316 L HN 0.420 nan 8.230 nan 0.000 0.406 317 R N 2.479 123.125 120.500 0.243 0.000 2.738 317 R HA 0.219 4.554 4.340 -0.009 0.000 0.268 317 R C 1.002 177.340 176.300 0.063 0.000 1.062 317 R CA -0.097 56.087 56.100 0.140 0.000 1.158 317 R CB 0.501 30.871 30.300 0.117 0.000 1.046 317 R HN 0.656 nan 8.270 nan 0.000 0.493 318 R N 1.236 121.682 120.500 -0.089 0.000 2.127 318 R HA -0.069 4.266 4.340 -0.009 0.000 0.238 318 R C 0.353 176.685 176.300 0.053 0.000 1.134 318 R CA 1.107 57.131 56.100 -0.127 0.000 0.975 318 R CB 0.206 30.404 30.300 -0.169 0.000 0.865 318 R HN 0.391 nan 8.270 nan 0.000 0.447 319 I N 2.927 123.523 120.570 0.044 0.000 2.256 319 I HA 0.020 4.185 4.170 -0.009 0.000 0.294 319 I C 0.158 176.329 176.117 0.090 0.000 1.127 319 I CA 0.259 61.591 61.300 0.054 0.000 1.247 319 I CB 0.802 38.822 38.000 0.034 0.000 1.460 319 I HN 0.261 nan 8.210 nan 0.000 0.511 320 Q N 3.214 123.072 119.800 0.096 0.000 2.285 320 Q HA -0.092 4.242 4.340 -0.009 0.000 0.191 320 Q C 0.927 177.003 176.000 0.127 0.000 0.860 320 Q CA 0.131 56.006 55.803 0.119 0.000 1.015 320 Q CB -0.170 28.604 28.738 0.060 0.000 1.118 320 Q HN 0.457 nan 8.270 nan 0.000 0.455 321 N N -0.473 118.303 118.700 0.126 0.000 2.405 321 N HA -0.021 4.714 4.740 -0.009 0.000 0.175 321 N C -1.003 174.615 175.510 0.180 0.000 1.051 321 N CA 0.476 53.598 53.050 0.119 0.000 0.899 321 N CB 0.518 39.065 38.487 0.099 0.000 1.000 321 N HN 0.297 nan 8.380 nan 0.000 0.451 322 Y N 0.347 120.671 120.300 0.040 0.000 2.421 322 Y HA 0.456 5.000 4.550 -0.010 0.000 0.339 322 Y C -0.884 175.052 175.900 0.059 0.000 0.996 322 Y CA -1.162 56.961 58.100 0.039 0.000 1.046 322 Y CB 1.228 39.702 38.460 0.023 0.000 1.226 322 Y HN -0.077 nan 8.280 nan 0.000 0.445 323 S N 4.141 119.758 115.700 -0.139 0.000 2.599 323 S HA 0.931 5.395 4.470 -0.009 0.000 0.287 323 S C -1.901 172.587 174.600 -0.187 0.000 1.105 323 S CA -0.752 57.424 58.200 -0.041 0.000 0.899 323 S CB 1.932 65.128 63.200 -0.007 0.000 1.100 323 S HN 0.503 nan 8.310 nan 0.000 0.482 324 V N 2.577 122.489 119.914 -0.002 0.000 2.760 324 V HA 0.547 4.662 4.120 -0.009 0.000 0.309 324 V C -0.651 175.484 176.094 0.069 0.000 1.077 324 V CA -0.656 61.645 62.300 0.002 0.000 0.910 324 V CB 1.947 33.808 31.823 0.064 0.000 1.008 324 V HN 1.036 nan 8.190 nan 0.000 0.424 325 M N 3.748 123.362 119.600 0.023 0.000 2.149 325 M HA 0.535 5.009 4.480 -0.009 0.000 0.342 325 M C -1.439 174.884 176.300 0.038 0.000 1.068 325 M CA -0.295 55.000 55.300 -0.008 0.000 0.991 325 M CB 1.188 33.731 32.600 -0.095 0.000 1.596 325 M HN 0.619 nan 8.290 nan 0.000 0.439 326 D N 5.280 125.698 120.400 0.030 0.000 2.163 326 D HA 0.514 5.149 4.640 -0.009 0.000 0.248 326 D C -0.906 175.378 176.300 -0.027 0.000 1.035 326 D CA -0.074 53.941 54.000 0.024 0.000 0.872 326 D CB 1.937 42.771 40.800 0.055 0.000 1.183 326 D HN 0.634 nan 8.370 nan 0.000 0.445 327 I N 2.573 123.150 120.570 0.011 0.000 2.382 327 I HA 0.247 4.411 4.170 -0.009 0.000 0.285 327 I C -0.516 175.607 176.117 0.011 0.000 1.007 327 I CA -0.593 60.709 61.300 0.004 0.000 1.142 327 I CB 1.169 39.230 38.000 0.103 0.000 1.289 327 I HN 0.156 nan 8.210 nan 0.000 0.453 328 c N 4.002 122.594 118.600 -0.014 0.000 2.329 328 c HA 0.526 5.090 4.570 -0.009 0.000 0.329 328 c C -0.133 174.088 174.090 0.219 0.000 1.275 328 c CA -0.738 55.645 56.329 0.091 0.000 1.726 328 c CB 0.831 43.396 42.510 0.092 0.000 2.291 328 c HN 0.572 nan 8.230 nan 0.000 0.514 329 D N 0.297 120.814 120.400 0.195 0.000 2.198 329 D HA 0.307 4.941 4.640 -0.009 0.000 0.247 329 D C -0.620 175.645 176.300 -0.059 0.000 1.010 329 D CA -0.236 53.845 54.000 0.135 0.000 0.880 329 D CB 0.850 41.676 40.800 0.043 0.000 1.209 329 D HN 0.584 nan 8.370 nan 0.000 0.451 330 Y N 1.459 121.407 120.300 -0.587 0.000 2.377 330 Y HA 0.139 4.689 4.550 0.000 0.000 0.330 330 Y C 0.063 175.647 175.900 -0.527 0.000 1.108 330 Y CA -0.181 57.201 58.100 -1.198 0.000 1.308 330 Y CB 0.686 38.281 38.460 -1.442 0.000 1.216 330 Y HN 0.173 nan 8.280 nan 0.000 0.518 331 D N 5.646 125.395 120.400 -1.085 0.000 2.468 331 D HA 0.025 4.659 4.640 -0.009 0.000 0.218 331 D C 0.968 176.678 176.300 -0.983 0.000 1.155 331 D CA 0.065 53.621 54.000 -0.740 0.000 0.924 331 D CB 0.633 41.165 40.800 -0.447 0.000 1.029 331 D HN 0.900 nan 8.370 nan 0.000 0.515 332 E N 1.609 121.391 120.200 -0.698 0.000 2.197 332 E HA -0.200 4.145 4.350 -0.009 0.000 0.205 332 E C 0.191 176.654 176.600 -0.229 0.000 1.029 332 E CA 1.321 57.504 56.400 -0.360 0.000 0.828 332 E CB 0.208 29.861 29.700 -0.079 0.000 0.737 332 E HN 0.146 nan 8.360 nan 0.000 0.464 333 S N -1.032 114.539 115.700 -0.214 0.000 2.384 333 S HA 0.326 4.791 4.470 -0.009 0.000 0.227 333 S C -0.300 174.224 174.600 -0.127 0.000 1.257 333 S CA -0.158 57.970 58.200 -0.120 0.000 1.249 333 S CB 1.099 64.256 63.200 -0.072 0.000 1.018 333 S HN 0.104 nan 8.310 nan 0.000 0.478 334 S N -0.371 115.226 115.700 -0.173 0.000 2.227 334 S HA 0.305 4.769 4.470 -0.009 0.000 0.267 334 S C 1.395 175.931 174.600 -0.107 0.000 0.987 334 S CA 0.068 58.191 58.200 -0.129 0.000 1.448 334 S CB 0.373 63.481 63.200 -0.153 0.000 1.118 334 S HN 0.718 nan 8.310 nan 0.000 0.555 335 G N 2.295 110.985 108.800 -0.184 0.000 2.328 335 G HA2 -0.355 3.600 3.960 -0.009 0.000 0.256 335 G HA3 -0.355 3.600 3.960 -0.009 0.000 0.256 335 G C 0.143 175.067 174.900 0.040 0.000 1.014 335 G CA 0.827 45.930 45.100 0.005 0.000 0.620 335 G HN 0.591 nan 8.290 nan 0.000 0.530 336 R N -0.761 119.694 120.500 -0.076 0.000 2.531 336 R HA 0.689 5.024 4.340 -0.009 0.000 0.260 336 R C -0.631 175.582 176.300 -0.145 0.000 1.144 336 R CA -0.636 55.485 56.100 0.035 0.000 1.171 336 R CB 0.188 30.527 30.300 0.065 0.000 1.199 336 R HN 0.263 nan 8.270 nan 0.000 0.594 337 W N -0.272 121.045 121.300 0.030 0.000 2.529 337 W HA 0.457 5.117 4.660 0.000 0.000 0.321 337 W C -0.820 175.683 176.519 -0.026 0.000 1.047 337 W CA -0.475 56.875 57.345 0.009 0.000 1.216 337 W CB 1.268 30.733 29.460 0.010 0.000 1.357 337 W HN 0.488 nan 8.180 nan 0.000 0.489 338 N N 1.928 120.707 118.700 0.131 0.000 2.314 338 N HA 0.550 5.284 4.740 -0.009 0.000 0.294 338 N C -1.593 173.958 175.510 0.068 0.000 1.029 338 N CA -0.608 52.481 53.050 0.065 0.000 0.845 338 N CB 1.248 39.734 38.487 -0.001 0.000 1.321 338 N HN 0.178 nan 8.380 nan 0.000 0.481 339 c N 2.602 121.227 118.600 0.042 0.000 2.258 339 c HA 0.394 4.959 4.570 -0.009 0.000 0.321 339 c C 0.379 174.471 174.090 0.003 0.000 1.168 339 c CA -1.165 55.179 56.329 0.025 0.000 1.531 339 c CB -1.231 41.285 42.510 0.011 0.000 2.095 339 c HN 0.607 nan 8.230 nan 0.000 0.449 340 L N 3.162 124.389 121.223 0.006 0.000 2.513 340 L HA 0.155 4.489 4.340 -0.009 0.000 0.272 340 L C 0.816 177.674 176.870 -0.020 0.000 1.187 340 L CA 0.315 55.151 54.840 -0.007 0.000 0.895 340 L CB 0.214 42.274 42.059 0.000 0.000 1.147 340 L HN 0.548 nan 8.230 nan 0.000 0.483 341 V N 5.126 125.022 119.914 -0.031 0.000 3.376 341 V HA 0.251 4.365 4.120 -0.009 0.000 0.303 341 V C 1.285 177.350 176.094 -0.049 0.000 1.100 341 V CA 0.844 63.118 62.300 -0.043 0.000 1.126 341 V CB 1.147 32.944 31.823 -0.043 0.000 1.085 341 V HN 1.113 nan 8.190 nan 0.000 0.480 342 A N 2.944 125.723 122.820 -0.069 0.000 3.930 342 A HA -0.306 4.009 4.320 -0.009 0.000 0.267 342 A C 1.750 179.267 177.584 -0.112 0.000 0.971 342 A CA 2.030 54.017 52.037 -0.083 0.000 1.197 342 A CB -1.809 17.159 19.000 -0.053 0.000 1.073 342 A HN 1.117 nan 8.150 nan 0.000 0.871 343 R N 0.372 120.820 120.500 -0.087 0.000 2.397 343 R HA 0.175 4.509 4.340 -0.009 0.000 0.241 343 R C 0.703 176.950 176.300 -0.087 0.000 0.914 343 R CA 0.763 56.832 56.100 -0.052 0.000 1.071 343 R CB 0.071 30.387 30.300 0.026 0.000 1.116 343 R HN 0.840 nan 8.270 nan 0.000 0.524 344 Q N -0.080 119.634 119.800 -0.143 0.000 2.230 344 Q HA 0.248 4.582 4.340 -0.009 0.000 0.248 344 Q C -1.272 174.568 176.000 -0.267 0.000 0.915 344 Q CA -0.637 55.112 55.803 -0.090 0.000 0.900 344 Q CB 1.375 30.087 28.738 -0.042 0.000 1.229 344 Q HN 0.181 nan 8.270 nan 0.000 0.439 345 H N 0.904 119.973 119.070 -0.002 0.000 2.495 345 H HA 0.486 5.036 4.556 -0.011 0.000 0.348 345 H C -0.807 174.487 175.328 -0.057 0.000 1.113 345 H CA -0.622 55.428 56.048 0.004 0.000 1.195 345 H CB 1.439 31.216 29.762 0.025 0.000 1.521 345 H HN 0.538 nan 8.280 nan 0.000 0.509 346 I N 2.021 122.599 120.570 0.014 0.000 2.353 346 I HA 0.213 4.377 4.170 -0.009 0.000 0.293 346 I C -0.002 176.042 176.117 -0.122 0.000 0.992 346 I CA -0.217 60.992 61.300 -0.153 0.000 1.268 346 I CB 1.242 39.117 38.000 -0.208 0.000 1.387 346 I HN 0.577 nan 8.210 nan 0.000 0.478 347 E N 8.524 128.600 120.200 -0.208 0.000 2.220 347 E HA 0.542 4.886 4.350 -0.009 0.000 0.256 347 E C -1.143 175.356 176.600 -0.170 0.000 0.881 347 E CA -0.654 55.678 56.400 -0.113 0.000 0.766 347 E CB 1.311 30.980 29.700 -0.052 0.000 1.187 347 E HN 0.627 nan 8.360 nan 0.000 0.419 348 M N 1.243 120.782 119.600 -0.103 0.000 2.704 348 M HA 0.682 5.156 4.480 -0.009 0.000 0.284 348 M C -1.062 175.237 176.300 -0.003 0.000 1.275 348 M CA -0.953 54.321 55.300 -0.043 0.000 0.811 348 M CB 2.291 34.901 32.600 0.017 0.000 1.741 348 M HN 0.242 nan 8.290 nan 0.000 0.458 349 S N -0.719 114.988 115.700 0.011 0.000 2.540 349 S HA 0.565 5.029 4.470 -0.009 0.000 0.275 349 S C 0.091 174.683 174.600 -0.013 0.000 1.123 349 S CA 0.061 58.251 58.200 -0.016 0.000 0.907 349 S CB 1.891 65.047 63.200 -0.073 0.000 1.081 349 S HN 0.937 nan 8.310 nan 0.000 0.476 350 T N -0.311 114.236 114.554 -0.013 0.000 3.015 350 T HA 0.068 4.413 4.350 -0.009 0.000 0.250 350 T C 1.597 176.279 174.700 -0.029 0.000 1.057 350 T CA 0.957 63.051 62.100 -0.009 0.000 1.066 350 T CB -0.472 68.399 68.868 0.004 0.000 0.959 350 T HN 0.688 nan 8.240 nan 0.000 0.488 351 T N -1.597 112.933 114.554 -0.040 0.000 3.051 351 T HA 0.571 4.916 4.350 -0.009 0.000 0.255 351 T C 1.201 175.758 174.700 -0.239 0.000 1.085 351 T CA 0.485 62.565 62.100 -0.033 0.000 1.109 351 T CB 0.156 69.084 68.868 0.101 0.000 0.921 351 T HN 0.640 nan 8.240 nan 0.000 0.488 352 G N 0.248 108.742 108.800 -0.510 0.000 2.696 352 G HA2 0.471 4.425 3.960 -0.009 0.000 0.151 352 G HA3 0.471 4.425 3.960 -0.009 0.000 0.151 352 G C -1.562 173.074 174.900 -0.440 0.000 1.197 352 G CA -0.558 44.051 45.100 -0.820 0.000 1.053 352 G HN 0.501 nan 8.290 nan 0.000 0.546 353 W N -0.129 120.897 121.300 -0.458 0.000 2.181 353 W HA 0.755 5.409 4.660 -0.010 0.000 0.415 353 W C -0.435 176.024 176.519 -0.101 0.000 1.689 353 W CA -1.248 55.965 57.345 -0.220 0.000 1.859 353 W CB 0.596 29.908 29.460 -0.247 0.000 1.425 353 W HN 0.269 nan 8.180 nan 0.000 0.713 354 V N 2.797 122.784 119.914 0.122 0.000 2.394 354 V HA 0.725 4.840 4.120 -0.009 0.000 0.282 354 V C 0.682 176.851 176.094 0.125 0.000 1.031 354 V CA 0.214 62.541 62.300 0.045 0.000 0.881 354 V CB 0.003 31.855 31.823 0.049 0.000 0.982 354 V HN 1.296 nan 8.190 nan 0.000 0.451 355 G N 5.070 113.893 108.800 0.039 0.000 2.746 355 G HA2 -0.172 3.782 3.960 -0.009 0.000 0.685 355 G HA3 -0.172 3.782 3.960 -0.009 0.000 0.685 355 G C 0.289 175.276 174.900 0.145 0.000 1.350 355 G CA 0.077 45.231 45.100 0.089 0.000 0.837 355 G HN 0.636 nan 8.290 nan 0.000 0.564 356 R N -0.633 119.940 120.500 0.122 0.000 2.062 356 R HA 0.101 4.436 4.340 -0.009 0.000 0.231 356 R C 1.929 178.203 176.300 -0.044 0.000 1.136 356 R CA 2.173 58.297 56.100 0.039 0.000 0.948 356 R CB -0.094 30.218 30.300 0.019 0.000 0.845 356 R HN 0.475 nan 8.270 nan 0.000 0.430 357 F N -1.002 119.099 119.950 0.252 0.000 2.834 357 F HA 0.263 4.784 4.527 -0.010 0.000 0.332 357 F C 0.400 176.233 175.800 0.055 0.000 1.056 357 F CA -0.385 57.702 58.000 0.145 0.000 1.178 357 F CB 0.775 39.849 39.000 0.123 0.000 1.037 357 F HN -0.106 nan 8.300 nan 0.000 0.580 358 R N -1.070 119.568 120.500 0.231 0.000 2.765 358 R HA 0.364 4.699 4.340 -0.009 0.000 0.277 358 R C -3.390 172.967 176.300 0.095 0.000 1.028 358 R CA -1.771 54.392 56.100 0.105 0.000 0.860 358 R CB 0.226 30.531 30.300 0.009 0.000 1.270 358 R HN -0.340 nan 8.270 nan 0.000 0.484 359 P HA -0.036 nan 4.420 nan 0.000 0.264 359 P C -0.185 177.130 177.300 0.026 0.000 1.183 359 P CA 0.227 63.342 63.100 0.026 0.000 0.763 359 P CB 0.682 32.374 31.700 -0.014 0.000 0.807 360 S N 1.701 117.427 115.700 0.044 0.000 2.584 360 S HA 0.108 4.572 4.470 -0.009 0.000 0.270 360 S C 0.107 174.718 174.600 0.019 0.000 1.346 360 S CA -0.672 57.569 58.200 0.068 0.000 1.018 360 S CB 0.294 63.556 63.200 0.103 0.000 0.899 360 S HN 0.573 nan 8.310 nan 0.000 0.542 361 E N 1.477 121.704 120.200 0.045 0.000 2.301 361 E HA 0.466 4.810 4.350 -0.009 0.000 0.275 361 E C -2.596 173.974 176.600 -0.051 0.000 1.030 361 E CA -2.217 54.163 56.400 -0.034 0.000 0.852 361 E CB 0.572 30.258 29.700 -0.022 0.000 1.060 361 E HN 0.458 nan 8.360 nan 0.000 0.401 362 P HA 0.125 nan 4.420 nan 0.000 0.279 362 P C -0.967 176.200 177.300 -0.221 0.000 1.252 362 P CA -0.329 62.609 63.100 -0.270 0.000 0.811 362 P CB 0.782 31.965 31.700 -0.862 0.000 1.035 363 H N 1.652 120.734 119.070 0.021 0.000 2.866 363 H HA 0.281 4.831 4.556 -0.009 0.000 0.287 363 H C -0.307 175.164 175.328 0.238 0.000 1.106 363 H CA -0.347 55.811 56.048 0.184 0.000 1.396 363 H CB 0.114 30.002 29.762 0.211 0.000 1.469 363 H HN 0.294 nan 8.280 nan 0.000 0.500 364 F N 1.937 122.066 119.950 0.299 0.000 2.429 364 F HA 0.037 4.558 4.527 -0.011 0.000 0.348 364 F C 1.679 177.676 175.800 0.328 0.000 1.109 364 F CA -0.344 57.850 58.000 0.323 0.000 1.232 364 F CB 0.833 39.953 39.000 0.199 0.000 1.157 364 F HN 0.338 nan 8.300 nan 0.000 0.564 365 T N 0.703 115.567 114.554 0.517 0.000 2.813 365 T HA 0.093 4.437 4.350 -0.009 0.000 0.297 365 T C 1.146 176.046 174.700 0.334 0.000 1.036 365 T CA -0.821 61.521 62.100 0.404 0.000 1.044 365 T CB 0.727 69.819 68.868 0.373 0.000 0.993 365 T HN 0.607 nan 8.240 nan 0.000 0.535 366 L N 1.274 122.648 121.223 0.250 0.000 2.089 366 L HA -0.146 4.189 4.340 -0.009 0.000 0.213 366 L C 1.970 178.954 176.870 0.190 0.000 1.079 366 L CA 2.514 57.474 54.840 0.200 0.000 0.758 366 L CB -1.075 41.077 42.059 0.155 0.000 0.891 366 L HN 0.944 nan 8.230 nan 0.000 0.433 367 D N -1.540 118.976 120.400 0.194 0.000 2.355 367 D HA 0.095 4.729 4.640 -0.009 0.000 0.218 367 D C 1.649 178.063 176.300 0.190 0.000 1.004 367 D CA 0.718 54.820 54.000 0.171 0.000 0.880 367 D CB -0.563 40.327 40.800 0.150 0.000 0.911 367 D HN 0.436 nan 8.370 nan 0.000 0.528 368 G N 0.549 109.505 108.800 0.260 0.000 2.168 368 G HA2 -0.394 3.561 3.960 -0.009 0.000 0.257 368 G HA3 -0.394 3.561 3.960 -0.009 0.000 0.257 368 G C 0.661 175.764 174.900 0.338 0.000 0.997 368 G CA 0.484 45.761 45.100 0.296 0.000 0.708 368 G HN 0.519 nan 8.290 nan 0.000 0.520 369 N N -0.260 118.612 118.700 0.286 0.000 2.299 369 N HA 0.319 5.054 4.740 -0.009 0.000 0.187 369 N C 0.683 176.310 175.510 0.195 0.000 1.099 369 N CA 0.539 53.722 53.050 0.220 0.000 0.867 369 N CB 0.331 38.908 38.487 0.149 0.000 0.974 369 N HN 0.658 nan 8.380 nan 0.000 0.477 370 S N -0.191 115.659 115.700 0.250 0.000 2.615 370 S HA 0.682 5.146 4.470 -0.009 0.000 0.269 370 S C -1.304 173.366 174.600 0.115 0.000 1.161 370 S CA -1.076 57.136 58.200 0.020 0.000 0.817 370 S CB 1.423 64.546 63.200 -0.129 0.000 1.131 370 S HN 0.169 nan 8.310 nan 0.000 0.467 371 F N -1.912 117.865 119.950 -0.288 0.000 2.741 371 F HA 0.844 5.362 4.527 -0.015 0.000 0.313 371 F C -2.371 173.270 175.800 -0.265 0.000 1.153 371 F CA -1.513 56.285 58.000 -0.336 0.000 0.931 371 F CB 0.557 38.946 39.000 -1.018 0.000 1.335 371 F HN 0.611 nan 8.300 nan 0.000 0.460 372 Y N 1.003 121.460 120.300 0.261 0.000 2.446 372 Y HA 0.706 5.252 4.550 -0.007 0.000 0.345 372 Y C -0.671 175.396 175.900 0.278 0.000 0.984 372 Y CA -1.049 57.191 58.100 0.232 0.000 1.058 372 Y CB 2.248 40.795 38.460 0.145 0.000 1.220 372 Y HN 0.727 nan 8.280 nan 0.000 0.455 373 K N 1.173 121.802 120.400 0.381 0.000 2.557 373 K HA 0.610 4.925 4.320 -0.009 0.000 0.261 373 K C -1.866 174.872 176.600 0.230 0.000 0.932 373 K CA -0.658 55.798 56.287 0.281 0.000 0.829 373 K CB 1.414 34.012 32.500 0.163 0.000 1.358 373 K HN 0.592 nan 8.250 nan 0.000 0.430 374 I N 4.476 125.152 120.570 0.177 0.000 2.517 374 I HA 0.261 4.426 4.170 -0.009 0.000 0.285 374 I C 0.210 176.413 176.117 0.143 0.000 1.106 374 I CA -0.308 61.077 61.300 0.142 0.000 1.402 374 I CB 0.006 38.068 38.000 0.103 0.000 1.399 374 I HN 0.644 nan 8.210 nan 0.000 0.535 375 I N 1.948 122.631 120.570 0.189 0.000 2.969 375 I HA 0.490 4.654 4.170 -0.009 0.000 0.307 375 I C -0.250 175.982 176.117 0.191 0.000 1.149 375 I CA -0.812 60.595 61.300 0.177 0.000 1.008 375 I CB 2.119 40.241 38.000 0.204 0.000 1.232 375 I HN 0.354 nan 8.210 nan 0.000 0.435 376 S N 2.618 118.372 115.700 0.089 0.000 2.549 376 S HA 0.220 4.684 4.470 -0.009 0.000 0.279 376 S C 0.218 174.850 174.600 0.054 0.000 1.321 376 S CA -0.245 57.953 58.200 -0.003 0.000 1.054 376 S CB -0.114 63.029 63.200 -0.095 0.000 0.899 376 S HN 0.684 nan 8.310 nan 0.000 0.497 377 N N 2.021 120.657 118.700 -0.107 0.000 2.255 377 N HA 0.049 4.783 4.740 -0.009 0.000 0.253 377 N C 1.021 176.464 175.510 -0.113 0.000 1.313 377 N CA -0.100 52.787 53.050 -0.272 0.000 0.912 377 N CB 0.242 38.540 38.487 -0.314 0.000 1.145 377 N HN 0.782 nan 8.380 nan 0.000 0.511 378 E N 0.301 120.427 120.200 -0.123 0.000 2.371 378 E HA -0.038 4.307 4.350 -0.009 0.000 0.194 378 E C 0.893 177.454 176.600 -0.066 0.000 1.012 378 E CA 1.019 57.386 56.400 -0.055 0.000 0.860 378 E CB 0.056 29.733 29.700 -0.039 0.000 0.811 378 E HN 0.566 nan 8.360 nan 0.000 0.502 379 E N -1.296 118.860 120.200 -0.073 0.000 2.478 379 E HA 0.075 4.419 4.350 -0.009 0.000 0.194 379 E C 0.528 177.104 176.600 -0.039 0.000 1.045 379 E CA 0.485 56.883 56.400 -0.004 0.000 0.868 379 E CB 0.121 29.860 29.700 0.065 0.000 0.885 379 E HN 0.372 nan 8.360 nan 0.000 0.505 380 G N 0.457 109.177 108.800 -0.133 0.000 2.157 380 G HA2 -0.266 3.689 3.960 -0.009 0.000 0.239 380 G HA3 -0.266 3.689 3.960 -0.009 0.000 0.239 380 G C -0.395 174.224 174.900 -0.469 0.000 0.982 380 G CA 0.098 45.013 45.100 -0.308 0.000 0.650 380 G HN 0.208 nan 8.290 nan 0.000 0.527 381 Y N 0.675 120.835 120.300 -0.233 0.000 2.330 381 Y HA 0.633 5.177 4.550 -0.010 0.000 0.336 381 Y C 1.194 176.906 175.900 -0.314 0.000 1.036 381 Y CA -0.818 57.119 58.100 -0.272 0.000 1.125 381 Y CB 0.969 39.280 38.460 -0.249 0.000 1.194 381 Y HN 0.074 nan 8.280 nan 0.000 0.469 382 R N 3.860 124.201 120.500 -0.264 0.000 2.248 382 R HA 0.272 4.606 4.340 -0.009 0.000 0.328 382 R C -0.733 175.265 176.300 -0.502 0.000 1.067 382 R CA -0.096 55.858 56.100 -0.244 0.000 0.924 382 R CB 0.151 30.360 30.300 -0.151 0.000 1.013 382 R HN 0.664 nan 8.270 nan 0.000 0.454 383 H N 1.665 120.677 119.070 -0.098 0.000 2.949 383 H HA 0.342 4.892 4.556 -0.010 0.000 0.356 383 H C -0.033 175.355 175.328 0.099 0.000 1.212 383 H CA -0.966 55.000 56.048 -0.137 0.000 1.136 383 H CB 1.627 31.178 29.762 -0.351 0.000 1.869 383 H HN 0.318 nan 8.280 nan 0.000 0.556 384 I N 1.338 121.990 120.570 0.138 0.000 2.471 384 I HA 0.025 4.190 4.170 -0.009 0.000 0.286 384 I C 0.438 176.635 176.117 0.132 0.000 1.079 384 I CA 0.204 61.567 61.300 0.104 0.000 1.398 384 I CB 0.277 38.246 38.000 -0.051 0.000 1.403 384 I HN 0.130 nan 8.210 nan 0.000 0.530 385 c N 7.149 125.765 118.600 0.027 0.000 2.411 385 c HA 0.448 5.012 4.570 -0.009 0.000 0.330 385 c C -0.420 173.565 174.090 -0.174 0.000 1.224 385 c CA -0.478 55.647 56.329 -0.340 0.000 1.770 385 c CB 1.130 43.174 42.510 -0.777 0.000 2.297 385 c HN 0.644 nan 8.230 nan 0.000 0.507 386 Y N 4.551 124.525 120.300 -0.544 0.000 2.331 386 Y HA 0.676 5.222 4.550 -0.006 0.000 0.338 386 Y C -1.033 174.408 175.900 -0.764 0.000 0.976 386 Y CA -0.955 56.762 58.100 -0.639 0.000 1.137 386 Y CB 0.221 38.372 38.460 -0.515 0.000 1.172 386 Y HN 0.601 nan 8.280 nan 0.000 0.478 387 F N 3.133 122.317 119.950 -1.276 0.000 2.523 387 F HA 0.525 5.045 4.527 -0.012 0.000 0.329 387 F C -0.259 174.791 175.800 -1.249 0.000 1.061 387 F CA -0.976 56.238 58.000 -1.310 0.000 0.967 387 F CB 1.568 39.456 39.000 -1.855 0.000 1.218 387 F HN 0.268 nan 8.300 nan 0.000 0.480 388 Q N 1.643 121.119 119.800 -0.541 0.000 2.348 388 Q HA 0.370 4.704 4.340 -0.009 0.000 0.265 388 Q C 0.927 176.909 176.000 -0.029 0.000 0.998 388 Q CA -0.276 55.339 55.803 -0.313 0.000 0.831 388 Q CB 1.344 29.945 28.738 -0.228 0.000 1.251 388 Q HN 0.675 nan 8.270 nan 0.000 0.456 389 I N -0.207 120.424 120.570 0.101 0.000 2.479 389 I HA -0.274 3.890 4.170 -0.009 0.000 0.258 389 I C 0.279 176.591 176.117 0.326 0.000 1.165 389 I CA 2.087 63.604 61.300 0.361 0.000 1.422 389 I CB -0.007 38.209 38.000 0.359 0.000 1.087 389 I HN 0.519 nan 8.210 nan 0.000 0.441 390 D N -0.478 120.017 120.400 0.158 0.000 2.398 390 D HA 0.156 4.791 4.640 -0.009 0.000 0.210 390 D C 0.362 176.681 176.300 0.032 0.000 1.094 390 D CA -0.190 53.854 54.000 0.074 0.000 0.839 390 D CB 0.081 40.906 40.800 0.042 0.000 0.963 390 D HN 0.225 nan 8.370 nan 0.000 0.506 391 K N 0.526 120.963 120.400 0.061 0.000 2.185 391 K HA 0.291 4.605 4.320 -0.009 0.000 0.269 391 K C 0.891 177.529 176.600 0.062 0.000 0.987 391 K CA -0.603 55.688 56.287 0.006 0.000 0.865 391 K CB 1.641 34.099 32.500 -0.070 0.000 1.090 391 K HN -0.033 nan 8.250 nan 0.000 0.450 392 K N 0.312 120.707 120.400 -0.009 0.000 2.057 392 K HA -0.010 4.304 4.320 -0.009 0.000 0.206 392 K C -0.174 176.435 176.600 0.014 0.000 1.050 392 K CA 1.124 57.415 56.287 0.006 0.000 0.935 392 K CB 0.104 32.582 32.500 -0.037 0.000 0.715 392 K HN 0.332 nan 8.250 nan 0.000 0.439 393 D N 1.231 121.578 120.400 -0.088 0.000 2.225 393 D HA 0.145 4.780 4.640 -0.009 0.000 0.248 393 D C 0.020 176.087 176.300 -0.387 0.000 1.096 393 D CA -0.557 53.326 54.000 -0.195 0.000 0.863 393 D CB 1.337 42.045 40.800 -0.153 0.000 1.156 393 D HN 0.414 nan 8.370 nan 0.000 0.450 394 c N 0.481 118.671 118.600 -0.682 0.000 2.354 394 c HA 0.814 5.378 4.570 -0.009 0.000 0.381 394 c C 0.299 173.967 174.090 -0.704 0.000 1.240 394 c CA -0.546 55.159 56.329 -1.040 0.000 2.089 394 c CB 0.988 42.163 42.510 -2.224 0.000 2.234 394 c HN 0.471 nan 8.230 nan 0.000 0.544 395 T N 1.684 115.879 114.554 -0.598 0.000 2.809 395 T HA 0.472 4.816 4.350 -0.009 0.000 0.284 395 T C -0.715 173.785 174.700 -0.333 0.000 0.992 395 T CA 0.148 62.050 62.100 -0.329 0.000 0.957 395 T CB 0.289 69.105 68.868 -0.086 0.000 0.942 395 T HN 0.473 nan 8.240 nan 0.000 0.439 396 F N 3.365 123.198 119.950 -0.195 0.000 2.529 396 F HA 0.242 4.765 4.527 -0.006 0.000 0.365 396 F C 1.659 177.301 175.800 -0.263 0.000 1.102 396 F CA -0.787 57.088 58.000 -0.207 0.000 1.271 396 F CB 0.420 39.301 39.000 -0.199 0.000 1.120 396 F HN 0.569 nan 8.300 nan 0.000 0.579 397 I N -0.842 119.635 120.570 -0.156 0.000 4.057 397 I HA 0.257 4.422 4.170 -0.009 0.000 0.334 397 I C 0.111 176.076 176.117 -0.253 0.000 1.308 397 I CA 0.048 61.064 61.300 -0.473 0.000 1.125 397 I CB 0.054 37.490 38.000 -0.939 0.000 1.034 397 I HN 0.491 nan 8.210 nan 0.000 0.401 398 T N 0.014 114.461 114.554 -0.179 0.000 2.896 398 T HA 0.714 5.059 4.350 -0.009 0.000 0.297 398 T C -0.728 173.565 174.700 -0.679 0.000 1.108 398 T CA -0.646 61.313 62.100 -0.234 0.000 1.004 398 T CB 2.852 71.650 68.868 -0.118 0.000 1.159 398 T HN 0.501 nan 8.240 nan 0.000 0.499 399 K N -0.276 119.510 120.400 -1.023 0.000 2.658 399 K HA 0.742 5.056 4.320 -0.009 0.000 0.293 399 K C -0.467 175.436 176.600 -1.162 0.000 1.026 399 K CA -0.712 54.634 56.287 -1.569 0.000 0.871 399 K CB 1.146 33.184 32.500 -0.770 0.000 1.524 399 K HN 1.767 nan 8.250 nan 0.000 0.400 400 G N -0.157 108.066 108.800 -0.961 0.000 2.347 400 G HA2 0.067 4.021 3.960 -0.009 0.000 0.477 400 G HA3 0.067 4.021 3.960 -0.009 0.000 0.477 400 G C -0.635 173.773 174.900 -0.820 0.000 1.349 400 G CA -0.356 44.378 45.100 -0.610 0.000 1.000 400 G HN 1.086 nan 8.290 nan 0.000 0.605 401 T N -0.464 113.747 114.554 -0.572 0.000 4.058 401 T HA 0.547 4.891 4.350 -0.009 0.000 0.252 401 T C 0.277 174.795 174.700 -0.303 0.000 1.264 401 T CA 0.650 62.199 62.100 -0.918 0.000 1.094 401 T CB -0.959 67.619 68.868 -0.483 0.000 1.316 401 T HN 1.519 nan 8.240 nan 0.000 0.872 402 W N -0.382 120.756 121.300 -0.271 0.000 2.895 402 W HA 0.661 5.315 4.660 -0.009 0.000 0.377 402 W C -1.474 175.035 176.519 -0.016 0.000 1.191 402 W CA -1.000 56.331 57.345 -0.025 0.000 1.179 402 W CB 0.643 30.079 29.460 -0.040 0.000 1.469 402 W HN 0.179 nan 8.180 nan 0.000 0.577 403 E N 0.612 120.963 120.200 0.251 0.000 2.367 403 E HA 0.452 4.797 4.350 -0.009 0.000 0.273 403 E C -1.306 175.362 176.600 0.114 0.000 0.903 403 E CA -1.158 55.171 56.400 -0.118 0.000 0.764 403 E CB 3.348 33.031 29.700 -0.027 0.000 1.252 403 E HN 0.155 nan 8.360 nan 0.000 0.446 404 V N 3.540 123.388 119.914 -0.110 0.000 2.432 404 V HA 0.026 4.141 4.120 -0.009 0.000 0.271 404 V C 1.187 177.349 176.094 0.113 0.000 1.046 404 V CA -0.078 62.267 62.300 0.076 0.000 0.945 404 V CB 0.622 32.383 31.823 -0.103 0.000 0.992 404 V HN 0.688 nan 8.190 nan 0.000 0.471 405 I N 3.246 123.920 120.570 0.173 0.000 2.333 405 I HA 0.220 4.384 4.170 -0.009 0.000 0.246 405 I C 1.127 177.351 176.117 0.178 0.000 1.106 405 I CA 1.222 62.619 61.300 0.161 0.000 1.411 405 I CB -0.745 37.293 38.000 0.064 0.000 1.082 405 I HN 0.757 nan 8.210 nan 0.000 0.420 406 G N 0.602 109.511 108.800 0.182 0.000 2.616 406 G HA2 0.491 4.446 3.960 -0.009 0.000 0.294 406 G HA3 0.491 4.446 3.960 -0.009 0.000 0.294 406 G C -1.186 173.809 174.900 0.157 0.000 1.489 406 G CA -0.597 44.608 45.100 0.175 0.000 0.836 406 G HN -0.037 nan 8.290 nan 0.000 0.527 407 I N 1.770 122.371 120.570 0.051 0.000 2.352 407 I HA 0.208 4.372 4.170 -0.009 0.000 0.290 407 I C 0.760 176.818 176.117 -0.098 0.000 1.036 407 I CA -0.456 60.764 61.300 -0.134 0.000 1.336 407 I CB 1.564 39.200 38.000 -0.606 0.000 1.407 407 I HN 0.506 nan 8.210 nan 0.000 0.497 408 E N 5.067 125.273 120.200 0.011 0.000 2.340 408 E HA 0.322 4.667 4.350 -0.009 0.000 0.198 408 E C 0.183 176.721 176.600 -0.103 0.000 0.961 408 E CA 0.203 56.647 56.400 0.074 0.000 0.905 408 E CB 0.799 30.639 29.700 0.232 0.000 0.884 408 E HN 0.687 nan 8.360 nan 0.000 0.491 409 A N 0.516 123.187 122.820 -0.249 0.000 2.608 409 A HA 0.618 4.932 4.320 -0.009 0.000 0.292 409 A C -2.023 175.475 177.584 -0.143 0.000 1.066 409 A CA -0.650 51.157 52.037 -0.383 0.000 0.676 409 A CB 1.258 19.494 19.000 -1.273 0.000 1.277 409 A HN 0.037 nan 8.150 nan 0.000 0.413 410 L N 1.118 122.300 121.223 -0.068 0.000 2.505 410 L HA 0.800 5.135 4.340 -0.009 0.000 0.266 410 L C -0.034 176.864 176.870 0.047 0.000 0.954 410 L CA 0.524 55.367 54.840 0.005 0.000 0.852 410 L CB 2.147 44.232 42.059 0.043 0.000 1.282 410 L HN 1.278 nan 8.230 nan 0.000 0.403 411 T N -0.362 114.237 114.554 0.076 0.000 2.910 411 T HA 0.433 4.777 4.350 -0.009 0.000 0.287 411 T C 0.967 175.714 174.700 0.077 0.000 1.050 411 T CA 0.023 62.178 62.100 0.092 0.000 1.011 411 T CB 1.338 70.291 68.868 0.141 0.000 1.195 411 T HN 0.671 nan 8.240 nan 0.000 0.540 412 S N -0.538 115.208 115.700 0.076 0.000 2.474 412 S HA -0.085 4.380 4.470 -0.009 0.000 0.235 412 S C 0.973 175.578 174.600 0.009 0.000 0.997 412 S CA 0.859 59.093 58.200 0.058 0.000 0.949 412 S CB -0.507 62.729 63.200 0.060 0.000 0.766 412 S HN 0.692 nan 8.310 nan 0.000 0.517 413 D N 0.031 120.446 120.400 0.025 0.000 2.394 413 D HA 0.227 4.862 4.640 -0.009 0.000 0.237 413 D C -0.192 175.949 176.300 -0.265 0.000 1.028 413 D CA 0.922 54.884 54.000 -0.064 0.000 0.937 413 D CB 0.152 41.049 40.800 0.160 0.000 1.072 413 D HN 0.391 nan 8.370 nan 0.000 0.457 414 Y N -0.418 119.834 120.300 -0.080 0.000 2.630 414 Y HA 0.447 4.992 4.550 -0.009 0.000 0.337 414 Y C -0.134 175.616 175.900 -0.250 0.000 1.051 414 Y CA -1.079 56.888 58.100 -0.222 0.000 1.121 414 Y CB 1.641 39.827 38.460 -0.457 0.000 1.299 414 Y HN -0.176 nan 8.280 nan 0.000 0.498 415 L N 2.492 123.619 121.223 -0.159 0.000 2.319 415 L HA 0.484 4.818 4.340 -0.009 0.000 0.281 415 L C -1.982 174.781 176.870 -0.178 0.000 1.005 415 L CA -0.863 53.862 54.840 -0.192 0.000 0.828 415 L CB 0.210 42.075 42.059 -0.323 0.000 1.227 415 L HN 0.620 nan 8.230 nan 0.000 0.415 416 Y N 6.041 126.266 120.300 -0.125 0.000 2.342 416 Y HA 0.557 5.101 4.550 -0.010 0.000 0.334 416 Y C -0.074 175.824 175.900 -0.004 0.000 1.067 416 Y CA -0.248 57.776 58.100 -0.126 0.000 1.128 416 Y CB 1.308 39.594 38.460 -0.289 0.000 1.200 416 Y HN 0.581 nan 8.280 nan 0.000 0.464 417 Y N 0.114 120.472 120.300 0.096 0.000 2.625 417 Y HA 0.816 5.361 4.550 -0.009 0.000 0.338 417 Y C -1.816 174.166 175.900 0.138 0.000 1.123 417 Y CA -2.043 56.105 58.100 0.079 0.000 1.046 417 Y CB 1.102 39.581 38.460 0.032 0.000 1.299 417 Y HN 0.406 nan 8.280 nan 0.000 0.464 418 I N 2.807 123.552 120.570 0.292 0.000 2.493 418 I HA 0.700 4.865 4.170 -0.009 0.000 0.298 418 I C -0.422 175.886 176.117 0.318 0.000 0.998 418 I CA -0.587 60.831 61.300 0.197 0.000 1.137 418 I CB 2.143 40.209 38.000 0.111 0.000 1.310 418 I HN 0.893 nan 8.210 nan 0.000 0.445 419 S N 2.761 118.612 115.700 0.251 0.000 2.656 419 S HA 0.412 4.877 4.470 -0.009 0.000 0.273 419 S C -0.760 173.904 174.600 0.106 0.000 1.168 419 S CA -0.877 57.462 58.200 0.231 0.000 0.817 419 S CB 1.719 65.117 63.200 0.329 0.000 1.146 419 S HN 0.656 nan 8.310 nan 0.000 0.475 420 N N -0.453 118.306 118.700 0.099 0.000 2.389 420 N HA 0.170 4.905 4.740 -0.009 0.000 0.260 420 N C 0.448 175.950 175.510 -0.013 0.000 1.191 420 N CA -0.323 52.739 53.050 0.021 0.000 0.885 420 N CB 0.385 38.864 38.487 -0.013 0.000 1.162 420 N HN 0.818 nan 8.380 nan 0.000 0.512 421 E N -0.105 119.962 120.200 -0.222 0.000 2.072 421 E HA -0.178 4.166 4.350 -0.009 0.000 0.190 421 E C -0.354 176.104 176.600 -0.235 0.000 0.982 421 E CA 0.171 56.203 56.400 -0.615 0.000 0.803 421 E CB -0.077 28.599 29.700 -1.707 0.000 0.755 421 E HN 0.367 nan 8.360 nan 0.000 0.453 422 Y N 1.973 122.180 120.300 -0.155 0.000 2.852 422 Y HA -0.137 4.408 4.550 -0.009 0.000 0.343 422 Y C 0.271 176.133 175.900 -0.063 0.000 1.280 422 Y CA 0.794 58.854 58.100 -0.067 0.000 1.604 422 Y CB 0.029 38.477 38.460 -0.020 0.000 1.216 422 Y HN 0.105 nan 8.280 nan 0.000 0.541 423 K N 3.061 123.202 120.400 -0.431 0.000 3.407 423 K HA -0.205 4.109 4.320 -0.009 0.000 0.312 423 K C 0.780 177.314 176.600 -0.109 0.000 1.302 423 K CA 1.210 57.294 56.287 -0.338 0.000 0.931 423 K CB -1.725 30.530 32.500 -0.407 0.000 1.257 423 K HN 1.320 nan 8.250 nan 0.000 0.454 424 G N -0.087 108.663 108.800 -0.084 0.000 2.225 424 G HA2 -0.351 3.603 3.960 -0.009 0.000 0.267 424 G HA3 -0.351 3.603 3.960 -0.009 0.000 0.267 424 G C 0.004 174.895 174.900 -0.015 0.000 1.024 424 G CA 0.760 45.856 45.100 -0.006 0.000 0.784 424 G HN 0.299 nan 8.290 nan 0.000 0.507 425 M N 0.986 120.503 119.600 -0.138 0.000 2.080 425 M HA 0.234 4.708 4.480 -0.009 0.000 0.350 425 M C -0.912 175.138 176.300 -0.416 0.000 1.143 425 M CA -1.991 53.054 55.300 -0.424 0.000 1.064 425 M CB 1.599 34.023 32.600 -0.293 0.000 1.429 425 M HN -0.058 nan 8.290 nan 0.000 0.418 426 P HA -0.076 nan 4.420 nan 0.000 0.225 426 P C 0.979 178.119 177.300 -0.266 0.000 1.148 426 P CA 1.121 64.036 63.100 -0.307 0.000 0.779 426 P CB 0.149 31.683 31.700 -0.276 0.000 0.780 427 G N -0.561 108.012 108.800 -0.379 0.000 3.141 427 G HA2 0.293 4.247 3.960 -0.009 0.000 0.218 427 G HA3 0.293 4.247 3.960 -0.009 0.000 0.218 427 G C 0.661 175.555 174.900 -0.010 0.000 1.170 427 G CA 0.060 45.073 45.100 -0.146 0.000 0.769 427 G HN 0.422 nan 8.290 nan 0.000 0.546 428 G N -0.181 108.556 108.800 -0.106 0.000 2.441 428 G HA2 0.637 4.592 3.960 -0.009 0.000 0.334 428 G HA3 0.637 4.592 3.960 -0.009 0.000 0.334 428 G C -0.878 173.891 174.900 -0.219 0.000 1.161 428 G CA -0.757 44.311 45.100 -0.054 0.000 0.935 428 G HN 0.056 nan 8.290 nan 0.000 0.488 429 R N 1.200 121.519 120.500 -0.301 0.000 2.538 429 R HA 0.440 4.775 4.340 -0.009 0.000 0.292 429 R C -1.186 175.071 176.300 -0.071 0.000 1.008 429 R CA -0.795 55.106 56.100 -0.330 0.000 0.896 429 R CB 1.956 31.787 30.300 -0.781 0.000 1.187 429 R HN 0.594 nan 8.270 nan 0.000 0.440 430 N N 1.754 120.437 118.700 -0.029 0.000 2.242 430 N HA 0.317 5.052 4.740 -0.009 0.000 0.292 430 N C -1.243 174.157 175.510 -0.184 0.000 1.125 430 N CA -0.815 52.139 53.050 -0.161 0.000 0.783 430 N CB 2.786 41.078 38.487 -0.324 0.000 1.558 430 N HN 0.243 nan 8.380 nan 0.000 0.472 431 L N 2.285 123.255 121.223 -0.421 0.000 2.292 431 L HA 0.472 4.806 4.340 -0.009 0.000 0.284 431 L C -1.392 175.137 176.870 -0.570 0.000 1.065 431 L CA 0.079 54.708 54.840 -0.353 0.000 0.806 431 L CB -0.103 41.746 42.059 -0.350 0.000 1.175 431 L HN 0.408 nan 8.230 nan 0.000 0.431 432 Y N 3.268 123.215 120.300 -0.587 0.000 2.602 432 Y HA 0.638 5.183 4.550 -0.009 0.000 0.342 432 Y C -0.534 174.989 175.900 -0.629 0.000 1.029 432 Y CA -0.956 56.746 58.100 -0.663 0.000 1.080 432 Y CB 1.681 39.587 38.460 -0.922 0.000 1.284 432 Y HN 0.557 nan 8.280 nan 0.000 0.485 433 K N 1.817 122.034 120.400 -0.306 0.000 2.507 433 K HA 0.693 5.007 4.320 -0.009 0.000 0.251 433 K C -1.937 174.620 176.600 -0.072 0.000 0.943 433 K CA -0.641 55.399 56.287 -0.411 0.000 0.794 433 K CB 2.437 34.445 32.500 -0.819 0.000 1.188 433 K HN 0.758 nan 8.250 nan 0.000 0.428 434 I N 2.866 123.473 120.570 0.060 0.000 2.378 434 I HA 0.148 4.312 4.170 -0.009 0.000 0.291 434 I C -0.523 175.661 176.117 0.112 0.000 0.992 434 I CA -0.734 60.665 61.300 0.165 0.000 1.154 434 I CB 1.739 39.858 38.000 0.199 0.000 1.315 434 I HN 0.873 nan 8.210 nan 0.000 0.448 435 Q N 5.807 125.633 119.800 0.044 0.000 2.271 435 Q HA 0.051 4.385 4.340 -0.009 0.000 0.273 435 Q C 0.148 176.021 176.000 -0.211 0.000 1.051 435 Q CA -0.478 55.086 55.803 -0.397 0.000 0.901 435 Q CB 1.166 29.711 28.738 -0.321 0.000 1.174 435 Q HN 0.762 nan 8.270 nan 0.000 0.385 436 L N 3.430 124.483 121.223 -0.284 0.000 2.191 436 L HA -0.144 4.191 4.340 -0.009 0.000 0.212 436 L C 2.016 178.751 176.870 -0.225 0.000 1.103 436 L CA 1.460 56.231 54.840 -0.115 0.000 0.769 436 L CB -0.740 41.241 42.059 -0.130 0.000 0.908 436 L HN 0.639 nan 8.230 nan 0.000 0.438 437 S N -1.462 114.075 115.700 -0.271 0.000 2.406 437 S HA -0.064 4.400 4.470 -0.009 0.000 0.228 437 S C 0.578 174.995 174.600 -0.306 0.000 1.020 437 S CA 0.757 58.801 58.200 -0.259 0.000 0.965 437 S CB -0.014 63.064 63.200 -0.204 0.000 0.798 437 S HN 0.435 nan 8.310 nan 0.000 0.488 438 D N -0.567 119.666 120.400 -0.278 0.000 2.319 438 D HA 0.247 4.881 4.640 -0.009 0.000 0.237 438 D C -0.300 175.942 176.300 -0.097 0.000 1.353 438 D CA -0.536 53.322 54.000 -0.237 0.000 0.992 438 D CB 0.093 40.816 40.800 -0.129 0.000 1.368 438 D HN -0.087 nan 8.370 nan 0.000 0.564 439 Y N 1.386 121.657 120.300 -0.048 0.000 2.556 439 Y HA -0.073 4.471 4.550 -0.011 0.000 0.290 439 Y C 2.377 178.279 175.900 0.002 0.000 1.149 439 Y CA 0.762 58.848 58.100 -0.023 0.000 1.329 439 Y CB -0.820 37.629 38.460 -0.019 0.000 0.975 439 Y HN 0.356 nan 8.280 nan 0.000 0.561 440 T N -0.337 114.283 114.554 0.109 0.000 2.995 440 T HA -0.059 4.286 4.350 -0.009 0.000 0.269 440 T C 0.731 175.475 174.700 0.072 0.000 1.091 440 T CA 0.697 62.842 62.100 0.075 0.000 1.128 440 T CB -0.149 68.736 68.868 0.029 0.000 0.891 440 T HN 0.191 nan 8.240 nan 0.000 0.492 441 K N 1.900 122.342 120.400 0.069 0.000 2.257 441 K HA 0.454 4.769 4.320 -0.009 0.000 0.270 441 K C -1.147 175.520 176.600 0.112 0.000 1.098 441 K CA -0.226 56.106 56.287 0.074 0.000 0.943 441 K CB 1.620 34.153 32.500 0.054 0.000 1.316 441 K HN -0.010 nan 8.250 nan 0.000 0.447 442 V N 2.927 122.908 119.914 0.112 0.000 2.487 442 V HA 0.420 4.535 4.120 -0.009 0.000 0.298 442 V C -1.039 175.112 176.094 0.094 0.000 1.028 442 V CA -0.157 62.223 62.300 0.135 0.000 0.860 442 V CB 1.983 33.911 31.823 0.175 0.000 0.991 442 V HN 0.663 nan 8.190 nan 0.000 0.427 443 T N 5.893 120.470 114.554 0.039 0.000 2.812 443 T HA 0.290 4.635 4.350 -0.009 0.000 0.282 443 T C -0.518 174.076 174.700 -0.176 0.000 0.990 443 T CA -0.269 61.798 62.100 -0.055 0.000 0.960 443 T CB 1.067 69.876 68.868 -0.098 0.000 0.948 443 T HN 0.874 nan 8.240 nan 0.000 0.438 444 C N 5.236 124.353 119.300 -0.306 0.000 2.482 444 C HA 0.393 4.847 4.460 -0.009 0.000 0.378 444 C C 1.649 176.294 174.990 -0.575 0.000 1.284 444 C CA -0.557 58.000 59.018 -0.768 0.000 1.826 444 C CB -1.841 25.310 27.740 -0.983 0.000 2.473 444 C HN 0.981 nan 8.230 nan 0.000 0.562 445 L N 4.839 125.710 121.223 -0.587 0.000 2.509 445 L HA 0.097 4.431 4.340 -0.009 0.000 0.222 445 L C 2.047 178.607 176.870 -0.515 0.000 1.123 445 L CA 0.826 55.404 54.840 -0.436 0.000 0.856 445 L CB -0.284 41.560 42.059 -0.358 0.000 0.985 445 L HN 0.893 nan 8.230 nan 0.000 0.456 446 S N -3.411 111.860 115.700 -0.715 0.000 2.628 446 S HA -0.005 4.459 4.470 -0.009 0.000 0.246 446 S C 1.805 175.961 174.600 -0.740 0.000 1.062 446 S CA -0.073 57.597 58.200 -0.882 0.000 1.028 446 S CB -0.293 61.979 63.200 -1.548 0.000 0.985 446 S HN 0.286 nan 8.310 nan 0.000 0.551 447 C N 2.258 121.086 119.300 -0.788 0.000 2.363 447 C HA -0.064 4.391 4.460 -0.009 0.000 0.274 447 C C 2.513 177.200 174.990 -0.506 0.000 1.183 447 C CA 1.686 60.156 59.018 -0.914 0.000 1.771 447 C CB -1.140 25.758 27.740 -1.402 0.000 2.059 447 C HN 0.623 nan 8.230 nan 0.000 0.455 448 E N -0.006 119.985 120.200 -0.347 0.000 2.479 448 E HA 0.161 4.505 4.350 -0.009 0.000 0.193 448 E C 1.905 178.454 176.600 -0.085 0.000 1.049 448 E CA -0.065 56.247 56.400 -0.146 0.000 0.870 448 E CB -0.261 29.374 29.700 -0.108 0.000 0.944 448 E HN 0.559 nan 8.360 nan 0.000 0.492 449 L N 0.307 121.467 121.223 -0.106 0.000 2.013 449 L HA -0.158 4.177 4.340 -0.009 0.000 0.212 449 L C 1.017 177.902 176.870 0.024 0.000 1.073 449 L CA 1.099 55.923 54.840 -0.025 0.000 0.753 449 L CB -0.072 41.990 42.059 0.005 0.000 0.890 449 L HN 0.154 nan 8.230 nan 0.000 0.432 450 N N -1.629 117.104 118.700 0.055 0.000 2.884 450 N HA 0.073 4.807 4.740 -0.009 0.000 0.211 450 N C -2.054 173.496 175.510 0.067 0.000 1.442 450 N CA -0.817 52.263 53.050 0.050 0.000 0.757 450 N CB 0.673 39.184 38.487 0.041 0.000 1.461 450 N HN -0.154 nan 8.380 nan 0.000 0.557 451 P HA -0.178 nan 4.420 nan 0.000 0.217 451 P C 0.802 178.157 177.300 0.093 0.000 1.148 451 P CA 1.266 64.436 63.100 0.115 0.000 0.834 451 P CB 0.671 32.450 31.700 0.131 0.000 0.783 452 E N -0.383 119.851 120.200 0.056 0.000 2.076 452 E HA -0.119 4.226 4.350 -0.009 0.000 0.190 452 E C 2.329 178.942 176.600 0.021 0.000 0.979 452 E CA 0.779 57.201 56.400 0.038 0.000 0.807 452 E CB -0.197 29.516 29.700 0.023 0.000 0.761 452 E HN 0.310 nan 8.360 nan 0.000 0.454 453 R N -0.153 120.349 120.500 0.003 0.000 2.189 453 R HA 0.071 4.405 4.340 -0.009 0.000 0.203 453 R C 0.043 176.310 176.300 -0.055 0.000 1.012 453 R CA 0.406 56.486 56.100 -0.034 0.000 1.015 453 R CB 0.457 30.722 30.300 -0.057 0.000 0.938 453 R HN 0.010 nan 8.270 nan 0.000 0.472 454 c N 1.261 119.844 118.600 -0.029 0.000 2.322 454 c HA 0.426 4.991 4.570 -0.009 0.000 0.324 454 c C 0.030 174.151 174.090 0.052 0.000 1.249 454 c CA -0.683 55.587 56.329 -0.098 0.000 1.453 454 c CB 1.395 43.785 42.510 -0.200 0.000 2.145 454 c HN 0.522 nan 8.230 nan 0.000 0.466 455 Q N 0.505 120.327 119.800 0.036 0.000 2.081 455 Q HA 0.177 4.511 4.340 -0.009 0.000 0.220 455 Q C -0.986 175.114 176.000 0.167 0.000 0.775 455 Q CA 0.039 55.937 55.803 0.158 0.000 0.983 455 Q CB 1.364 30.192 28.738 0.150 0.000 1.188 455 Q HN 0.793 nan 8.270 nan 0.000 0.458 456 Y N 0.510 120.755 120.300 -0.093 0.000 2.373 456 Y HA 0.387 4.932 4.550 -0.009 0.000 0.327 456 Y C -1.600 174.186 175.900 -0.189 0.000 1.036 456 Y CA -1.069 56.988 58.100 -0.073 0.000 1.265 456 Y CB 0.808 39.218 38.460 -0.083 0.000 1.108 456 Y HN -0.079 nan 8.280 nan 0.000 0.471 457 Y N 2.095 122.346 120.300 -0.082 0.000 2.509 457 Y HA 0.693 5.237 4.550 -0.009 0.000 0.341 457 Y C 0.116 175.986 175.900 -0.049 0.000 1.038 457 Y CA -0.704 57.364 58.100 -0.055 0.000 1.089 457 Y CB 2.312 40.705 38.460 -0.113 0.000 1.241 457 Y HN 0.499 nan 8.280 nan 0.000 0.468 458 S N 0.610 116.418 115.700 0.180 0.000 2.599 458 S HA 0.872 5.336 4.470 -0.009 0.000 0.287 458 S C -1.632 173.053 174.600 0.142 0.000 1.105 458 S CA -0.767 57.520 58.200 0.145 0.000 0.899 458 S CB 1.843 65.138 63.200 0.158 0.000 1.100 458 S HN 0.647 nan 8.310 nan 0.000 0.482 459 V N 0.390 120.386 119.914 0.136 0.000 3.078 459 V HA 0.877 4.992 4.120 -0.009 0.000 0.311 459 V C -1.219 174.966 176.094 0.151 0.000 1.138 459 V CA -0.299 62.055 62.300 0.090 0.000 1.007 459 V CB 2.342 34.142 31.823 -0.038 0.000 1.045 459 V HN 1.190 nan 8.190 nan 0.000 0.432 460 S N 4.476 120.250 115.700 0.122 0.000 2.789 460 S HA 0.668 5.132 4.470 -0.009 0.000 0.286 460 S C -1.189 173.551 174.600 0.232 0.000 1.153 460 S CA -0.392 57.976 58.200 0.279 0.000 1.084 460 S CB 0.339 63.757 63.200 0.363 0.000 1.036 460 S HN 0.493 nan 8.310 nan 0.000 0.484 461 F N 2.931 122.940 119.950 0.098 0.000 2.371 461 F HA 0.462 4.984 4.527 -0.008 0.000 0.329 461 F C 1.466 176.870 175.800 -0.661 0.000 1.107 461 F CA -0.306 57.590 58.000 -0.173 0.000 1.137 461 F CB 1.237 40.104 39.000 -0.221 0.000 1.214 461 F HN 0.620 nan 8.300 nan 0.000 0.536 462 S N 1.540 116.680 115.700 -0.934 0.000 2.626 462 S HA 0.161 4.626 4.470 -0.009 0.000 0.257 462 S C 1.206 175.542 174.600 -0.441 0.000 1.288 462 S CA -0.804 56.561 58.200 -1.393 0.000 0.980 462 S CB 0.673 63.157 63.200 -1.194 0.000 0.975 462 S HN 0.513 nan 8.310 nan 0.000 0.577 463 K N 0.844 121.119 120.400 -0.208 0.000 2.089 463 K HA -0.098 4.217 4.320 -0.009 0.000 0.210 463 K C 0.842 177.417 176.600 -0.042 0.000 1.048 463 K CA 1.555 57.824 56.287 -0.030 0.000 0.926 463 K CB -0.426 32.110 32.500 0.059 0.000 0.714 463 K HN 0.669 nan 8.250 nan 0.000 0.448 464 E N -0.978 119.167 120.200 -0.092 0.000 2.685 464 E HA 0.259 4.603 4.350 -0.009 0.000 0.208 464 E C -0.046 176.488 176.600 -0.110 0.000 0.996 464 E CA 0.056 56.414 56.400 -0.071 0.000 1.054 464 E CB 0.595 30.266 29.700 -0.048 0.000 1.075 464 E HN 0.211 nan 8.360 nan 0.000 0.460 465 A N 1.230 123.970 122.820 -0.132 0.000 2.860 465 A HA -0.329 3.986 4.320 -0.009 0.000 0.267 465 A C 1.541 179.063 177.584 -0.103 0.000 1.421 465 A CA 1.716 53.704 52.037 -0.082 0.000 0.831 465 A CB -2.033 16.817 19.000 -0.250 0.000 1.041 465 A HN 0.283 nan 8.150 nan 0.000 0.623 466 K N -1.879 118.375 120.400 -0.243 0.000 2.155 466 K HA 0.087 4.402 4.320 -0.009 0.000 0.203 466 K C 0.128 176.337 176.600 -0.651 0.000 1.052 466 K CA 1.517 57.530 56.287 -0.457 0.000 0.948 466 K CB -0.012 32.127 32.500 -0.603 0.000 0.728 466 K HN 0.681 nan 8.250 nan 0.000 0.448 467 Y N -1.230 118.958 120.300 -0.188 0.000 2.609 467 Y HA 0.332 4.876 4.550 -0.009 0.000 0.342 467 Y C -1.077 174.719 175.900 -0.174 0.000 1.058 467 Y CA -1.356 56.645 58.100 -0.164 0.000 1.055 467 Y CB 1.722 40.110 38.460 -0.119 0.000 1.292 467 Y HN -0.024 nan 8.280 nan 0.000 0.476 468 Y N -0.979 119.294 120.300 -0.045 0.000 2.519 468 Y HA 0.508 5.053 4.550 -0.009 0.000 0.336 468 Y C -1.318 174.585 175.900 0.005 0.000 1.089 468 Y CA -1.415 56.504 58.100 -0.302 0.000 1.025 468 Y CB 1.451 39.214 38.460 -1.161 0.000 1.318 468 Y HN 0.608 nan 8.280 nan 0.000 0.452 469 Q N 4.131 124.038 119.800 0.180 0.000 2.271 469 Q HA 0.591 4.926 4.340 -0.009 0.000 0.258 469 Q C -1.799 174.287 176.000 0.143 0.000 0.936 469 Q CA -0.726 55.155 55.803 0.130 0.000 0.909 469 Q CB 1.411 30.192 28.738 0.072 0.000 1.253 469 Q HN 0.974 nan 8.270 nan 0.000 0.440 470 L N 4.152 125.480 121.223 0.176 0.000 2.309 470 L HA 0.541 4.875 4.340 -0.009 0.000 0.282 470 L C -0.251 176.694 176.870 0.126 0.000 1.036 470 L CA -0.610 54.338 54.840 0.181 0.000 0.806 470 L CB 1.442 43.618 42.059 0.195 0.000 1.220 470 L HN 0.617 nan 8.230 nan 0.000 0.429 471 R N 2.293 122.837 120.500 0.073 0.000 2.320 471 R HA 0.303 4.638 4.340 -0.009 0.000 0.319 471 R C -0.988 175.129 176.300 -0.304 0.000 0.969 471 R CA -0.485 55.485 56.100 -0.215 0.000 0.857 471 R CB 1.503 31.762 30.300 -0.070 0.000 1.160 471 R HN 0.584 nan 8.270 nan 0.000 0.491 472 c N 2.956 121.236 118.600 -0.534 0.000 2.325 472 c HA 0.307 4.872 4.570 -0.009 0.000 0.347 472 c C 1.531 175.362 174.090 -0.431 0.000 1.263 472 c CA -0.299 55.625 56.329 -0.676 0.000 1.806 472 c CB -0.061 42.016 42.510 -0.722 0.000 2.405 472 c HN 0.976 nan 8.230 nan 0.000 0.537 473 S N 3.902 119.449 115.700 -0.255 0.000 2.539 473 S HA 0.594 5.058 4.470 -0.009 0.000 0.221 473 S C 0.535 175.082 174.600 -0.088 0.000 0.987 473 S CA 0.246 58.361 58.200 -0.142 0.000 0.929 473 S CB 0.084 63.227 63.200 -0.094 0.000 0.832 473 S HN 1.856 nan 8.310 nan 0.000 0.492 474 G N 1.732 110.470 108.800 -0.103 0.000 2.320 474 G HA2 0.352 4.307 3.960 -0.009 0.000 0.297 474 G HA3 0.352 4.307 3.960 -0.009 0.000 0.297 474 G C -2.954 171.931 174.900 -0.024 0.000 1.344 474 G CA -0.394 44.692 45.100 -0.024 0.000 0.851 474 G HN -0.130 nan 8.290 nan 0.000 0.567 475 P HA 0.107 nan 4.420 nan 0.000 0.226 475 P C 1.267 178.610 177.300 0.072 0.000 1.153 475 P CA 1.445 64.580 63.100 0.058 0.000 0.777 475 P CB 0.291 32.023 31.700 0.052 0.000 0.794 476 G N 0.317 109.094 108.800 -0.039 0.000 2.525 476 G HA2 0.405 4.360 3.960 -0.009 0.000 0.287 476 G HA3 0.405 4.360 3.960 -0.009 0.000 0.287 476 G C -0.320 174.357 174.900 -0.373 0.000 1.350 476 G CA -0.775 44.233 45.100 -0.154 0.000 1.039 476 G HN 0.045 nan 8.290 nan 0.000 0.513 477 L N 1.227 122.124 121.223 -0.543 0.000 2.490 477 L HA 0.138 4.472 4.340 -0.009 0.000 0.274 477 L C -1.827 174.838 176.870 -0.341 0.000 1.201 477 L CA -1.200 53.238 54.840 -0.671 0.000 0.869 477 L CB 0.664 42.428 42.059 -0.492 0.000 1.123 477 L HN 0.240 nan 8.230 nan 0.000 0.484 478 P HA -0.028 nan 4.420 nan 0.000 0.263 478 P C -0.939 176.259 177.300 -0.170 0.000 1.175 478 P CA 0.145 63.133 63.100 -0.186 0.000 0.761 478 P CB 0.476 32.164 31.700 -0.020 0.000 0.794 479 L N 5.547 126.581 121.223 -0.316 0.000 2.406 479 L HA 0.467 4.801 4.340 -0.009 0.000 0.272 479 L C -1.732 174.952 176.870 -0.310 0.000 0.980 479 L CA -0.681 54.044 54.840 -0.192 0.000 0.831 479 L CB 0.871 42.843 42.059 -0.145 0.000 1.253 479 L HN 0.210 nan 8.230 nan 0.000 0.406 480 Y N 2.827 123.080 120.300 -0.079 0.000 2.331 480 Y HA 0.762 5.307 4.550 -0.010 0.000 0.338 480 Y C 0.613 176.401 175.900 -0.188 0.000 0.992 480 Y CA -0.504 57.530 58.100 -0.110 0.000 1.121 480 Y CB 1.974 40.353 38.460 -0.135 0.000 1.184 480 Y HN 0.683 nan 8.280 nan 0.000 0.469 481 T N 1.153 115.695 114.554 -0.019 0.000 2.901 481 T HA 0.724 5.068 4.350 -0.009 0.000 0.293 481 T C -1.282 173.287 174.700 -0.218 0.000 1.084 481 T CA -0.960 61.048 62.100 -0.152 0.000 1.008 481 T CB 1.802 70.614 68.868 -0.092 0.000 1.170 481 T HN 0.575 nan 8.240 nan 0.000 0.509 482 L N 1.379 122.328 121.223 -0.456 0.000 2.346 482 L HA 0.687 5.021 4.340 -0.009 0.000 0.274 482 L C -1.174 175.281 176.870 -0.693 0.000 1.007 482 L CA -0.826 53.787 54.840 -0.378 0.000 0.818 482 L CB 1.665 43.554 42.059 -0.282 0.000 1.284 482 L HN 0.905 nan 8.230 nan 0.000 0.424 483 H N 0.206 119.019 119.070 -0.430 0.000 2.946 483 H HA 0.464 5.014 4.556 -0.009 0.000 0.365 483 H C -0.708 174.398 175.328 -0.371 0.000 1.197 483 H CA -0.795 54.931 56.048 -0.536 0.000 1.131 483 H CB 1.935 31.089 29.762 -1.012 0.000 1.849 483 H HN 0.427 nan 8.280 nan 0.000 0.555 484 S N -0.084 115.584 115.700 -0.054 0.000 2.449 484 S HA 0.275 4.739 4.470 -0.009 0.000 0.310 484 S C 0.328 174.931 174.600 0.005 0.000 1.096 484 S CA -0.714 57.488 58.200 0.004 0.000 1.095 484 S CB 1.572 64.805 63.200 0.056 0.000 1.007 484 S HN 0.565 nan 8.310 nan 0.000 0.474 485 S N 2.433 118.150 115.700 0.029 0.000 2.399 485 S HA -0.123 4.341 4.470 -0.009 0.000 0.231 485 S C 1.972 176.605 174.600 0.053 0.000 1.022 485 S CA 0.997 59.298 58.200 0.168 0.000 0.983 485 S CB -0.526 62.749 63.200 0.126 0.000 0.803 485 S HN 0.725 nan 8.310 nan 0.000 0.480 486 V N 2.688 122.586 119.914 -0.027 0.000 2.233 486 V HA -0.303 3.811 4.120 -0.009 0.000 0.252 486 V C 0.850 176.944 176.094 0.001 0.000 1.063 486 V CA 2.404 64.694 62.300 -0.017 0.000 1.032 486 V CB -0.446 31.357 31.823 -0.034 0.000 0.645 486 V HN 0.626 nan 8.190 nan 0.000 0.446 487 N N -1.328 117.377 118.700 0.007 0.000 2.194 487 N HA 0.175 4.909 4.740 -0.009 0.000 0.231 487 N C -0.604 174.916 175.510 0.017 0.000 1.247 487 N CA 0.404 53.458 53.050 0.006 0.000 0.884 487 N CB 0.592 39.084 38.487 0.009 0.000 1.146 487 N HN 0.428 nan 8.380 nan 0.000 0.516 488 D N 1.426 121.859 120.400 0.054 0.000 2.723 488 D HA -0.161 4.474 4.640 -0.009 0.000 0.236 488 D C -0.428 175.917 176.300 0.075 0.000 1.138 488 D CA 1.160 55.225 54.000 0.108 0.000 0.676 488 D CB -0.695 40.147 40.800 0.071 0.000 1.069 488 D HN 0.433 nan 8.370 nan 0.000 0.430 489 K N 0.138 120.566 120.400 0.046 0.000 2.237 489 K HA 0.396 4.711 4.320 -0.009 0.000 0.270 489 K C 1.046 177.652 176.600 0.010 0.000 1.015 489 K CA -0.114 56.188 56.287 0.026 0.000 0.949 489 K CB 0.990 33.496 32.500 0.011 0.000 0.976 489 K HN 0.112 nan 8.250 nan 0.000 0.472 490 G N 2.860 111.647 108.800 -0.021 0.000 2.391 490 G HA2 0.179 4.133 3.960 -0.009 0.000 0.305 490 G HA3 0.179 4.133 3.960 -0.009 0.000 0.305 490 G C 0.843 175.618 174.900 -0.209 0.000 1.072 490 G CA -0.426 44.564 45.100 -0.184 0.000 1.016 490 G HN 0.559 nan 8.290 nan 0.000 0.418 491 L N 1.735 122.794 121.223 -0.272 0.000 2.027 491 L HA 0.170 4.504 4.340 -0.009 0.000 0.206 491 L C 1.625 178.389 176.870 -0.177 0.000 1.074 491 L CA 1.097 55.833 54.840 -0.173 0.000 0.745 491 L CB -0.338 41.629 42.059 -0.153 0.000 0.898 491 L HN 0.732 nan 8.230 nan 0.000 0.433 492 R N -2.664 117.682 120.500 -0.256 0.000 3.012 492 R HA 0.341 4.675 4.340 -0.009 0.000 0.287 492 R C -1.599 174.551 176.300 -0.250 0.000 0.990 492 R CA -0.959 55.017 56.100 -0.206 0.000 0.839 492 R CB 1.016 31.224 30.300 -0.152 0.000 1.317 492 R HN -0.299 nan 8.270 nan 0.000 0.518 493 V N 2.679 122.480 119.914 -0.188 0.000 2.432 493 V HA 0.187 4.302 4.120 -0.009 0.000 0.271 493 V C 1.273 177.228 176.094 -0.231 0.000 1.046 493 V CA -0.360 61.833 62.300 -0.179 0.000 0.945 493 V CB 1.108 32.866 31.823 -0.108 0.000 0.992 493 V HN 0.619 nan 8.190 nan 0.000 0.471 494 L N 2.649 123.668 121.223 -0.340 0.000 2.202 494 L HA 0.303 4.637 4.340 -0.009 0.000 0.205 494 L C 0.688 177.376 176.870 -0.303 0.000 1.083 494 L CA 0.660 55.144 54.840 -0.593 0.000 0.790 494 L CB 0.230 41.502 42.059 -1.311 0.000 0.942 494 L HN 0.689 nan 8.230 nan 0.000 0.452 495 E N -0.113 120.021 120.200 -0.110 0.000 2.397 495 E HA 0.087 4.431 4.350 -0.009 0.000 0.293 495 E C -1.232 175.429 176.600 0.102 0.000 0.930 495 E CA -0.344 56.084 56.400 0.048 0.000 0.793 495 E CB 1.073 30.831 29.700 0.097 0.000 1.259 495 E HN 0.148 nan 8.360 nan 0.000 0.406 496 D N 2.975 123.406 120.400 0.052 0.000 2.469 496 D HA 0.160 4.794 4.640 -0.009 0.000 0.213 496 D C -0.257 176.052 176.300 0.015 0.000 1.135 496 D CA -0.232 53.782 54.000 0.024 0.000 0.834 496 D CB 0.000 40.794 40.800 -0.010 0.000 1.009 496 D HN 0.436 nan 8.370 nan 0.000 0.507 497 N N 0.444 119.170 118.700 0.044 0.000 2.735 497 N HA -0.213 4.522 4.740 -0.009 0.000 0.248 497 N C 0.939 176.453 175.510 0.006 0.000 1.083 497 N CA 0.924 53.992 53.050 0.030 0.000 0.703 497 N CB -1.349 37.143 38.487 0.007 0.000 1.005 497 N HN 0.490 nan 8.380 nan 0.000 0.550 498 S N -1.264 114.442 115.700 0.010 0.000 2.399 498 S HA -0.031 4.433 4.470 -0.009 0.000 0.231 498 S C 2.085 176.698 174.600 0.022 0.000 1.022 498 S CA 0.931 59.135 58.200 0.006 0.000 0.983 498 S CB -0.080 63.125 63.200 0.007 0.000 0.803 498 S HN 0.509 nan 8.310 nan 0.000 0.480 499 A N 2.034 124.876 122.820 0.036 0.000 1.877 499 A HA 0.073 4.388 4.320 -0.009 0.000 0.216 499 A C 2.227 179.853 177.584 0.070 0.000 1.186 499 A CA 1.592 53.659 52.037 0.051 0.000 0.620 499 A CB -0.891 18.142 19.000 0.055 0.000 0.822 499 A HN 0.526 nan 8.150 nan 0.000 0.443 500 L N 0.167 121.434 121.223 0.074 0.000 2.093 500 L HA -0.116 4.219 4.340 -0.009 0.000 0.208 500 L C 1.874 178.783 176.870 0.064 0.000 1.085 500 L CA 2.676 57.579 54.840 0.104 0.000 0.755 500 L CB -0.677 41.442 42.059 0.101 0.000 0.904 500 L HN 0.441 nan 8.230 nan 0.000 0.435 501 D N -0.605 119.804 120.400 0.015 0.000 2.123 501 D HA -0.204 4.431 4.640 -0.009 0.000 0.196 501 D C 1.940 178.248 176.300 0.013 0.000 0.992 501 D CA 1.178 55.170 54.000 -0.012 0.000 0.833 501 D CB 0.129 40.910 40.800 -0.032 0.000 0.954 501 D HN 0.189 nan 8.370 nan 0.000 0.455 502 K N -0.184 120.236 120.400 0.033 0.000 2.097 502 K HA -0.063 4.251 4.320 -0.009 0.000 0.205 502 K C 2.229 178.869 176.600 0.067 0.000 1.050 502 K CA 0.463 56.775 56.287 0.043 0.000 0.938 502 K CB -0.542 31.985 32.500 0.044 0.000 0.718 502 K HN 0.334 nan 8.250 nan 0.000 0.442 503 M N 0.534 120.196 119.600 0.104 0.000 2.175 503 M HA -0.079 4.395 4.480 -0.009 0.000 0.264 503 M C 1.819 178.190 176.300 0.118 0.000 1.063 503 M CA 1.295 56.702 55.300 0.178 0.000 1.119 503 M CB 0.006 32.788 32.600 0.303 0.000 1.377 503 M HN -0.003 nan 8.290 nan 0.000 0.415 504 L N -0.021 121.216 121.223 0.024 0.000 2.376 504 L HA -0.169 4.166 4.340 -0.009 0.000 0.219 504 L C 2.219 179.065 176.870 -0.039 0.000 1.133 504 L CA 0.676 55.464 54.840 -0.086 0.000 0.816 504 L CB -0.627 41.386 42.059 -0.078 0.000 0.933 504 L HN 0.481 nan 8.230 nan 0.000 0.449 505 Q N -1.059 118.743 119.800 0.003 0.000 2.482 505 Q HA -0.049 4.285 4.340 -0.009 0.000 0.209 505 Q C 0.813 176.829 176.000 0.027 0.000 0.961 505 Q CA 0.569 56.380 55.803 0.012 0.000 0.945 505 Q CB -0.192 28.557 28.738 0.018 0.000 1.012 505 Q HN 0.459 nan 8.270 nan 0.000 0.515 506 N N 0.765 119.488 118.700 0.039 0.000 2.230 506 N HA 0.109 4.843 4.740 -0.009 0.000 0.202 506 N C -0.689 174.856 175.510 0.059 0.000 1.119 506 N CA 0.136 53.222 53.050 0.061 0.000 0.851 506 N CB 1.636 40.178 38.487 0.093 0.000 0.990 506 N HN 0.088 nan 8.380 nan 0.000 0.497 507 V N 0.781 120.705 119.914 0.017 0.000 2.876 507 V HA 0.265 4.380 4.120 -0.009 0.000 0.312 507 V C -1.007 175.085 176.094 -0.004 0.000 1.085 507 V CA -0.733 61.572 62.300 0.008 0.000 0.945 507 V CB 2.437 34.217 31.823 -0.072 0.000 1.017 507 V HN -0.019 nan 8.190 nan 0.000 0.428 508 Q N 6.067 125.874 119.800 0.013 0.000 2.553 508 Q HA 0.345 4.679 4.340 -0.009 0.000 0.221 508 Q C -0.488 175.478 176.000 -0.056 0.000 1.219 508 Q CA -0.290 55.496 55.803 -0.029 0.000 0.955 508 Q CB 0.670 29.390 28.738 -0.028 0.000 1.399 508 Q HN 0.588 nan 8.270 nan 0.000 0.551 509 M N 3.574 123.129 119.600 -0.076 0.000 2.242 509 M HA 0.324 4.798 4.480 -0.009 0.000 0.344 509 M C -1.909 174.316 176.300 -0.126 0.000 1.140 509 M CA -2.311 52.929 55.300 -0.101 0.000 1.160 509 M CB -0.156 32.386 32.600 -0.098 0.000 1.491 509 M HN 0.298 nan 8.290 nan 0.000 0.459 510 P HA 0.280 nan 4.420 nan 0.000 0.279 510 P C -0.786 176.422 177.300 -0.153 0.000 1.276 510 P CA -0.365 62.637 63.100 -0.164 0.000 0.801 510 P CB 0.712 32.302 31.700 -0.183 0.000 1.127 511 S N -0.969 114.630 115.700 -0.168 0.000 2.739 511 S HA 0.641 5.105 4.470 -0.009 0.000 0.306 511 S C -0.538 173.960 174.600 -0.169 0.000 1.115 511 S CA -0.736 57.381 58.200 -0.139 0.000 0.985 511 S CB 1.700 64.826 63.200 -0.124 0.000 1.133 511 S HN 0.545 nan 8.310 nan 0.000 0.541 512 K N 0.296 120.622 120.400 -0.124 0.000 2.443 512 K HA 0.443 4.757 4.320 -0.009 0.000 0.252 512 K C -1.558 174.990 176.600 -0.088 0.000 0.933 512 K CA -0.545 55.672 56.287 -0.117 0.000 0.792 512 K CB 1.584 34.034 32.500 -0.083 0.000 1.185 512 K HN 0.752 nan 8.250 nan 0.000 0.425 513 K N 5.585 125.928 120.400 -0.094 0.000 2.323 513 K HA 0.355 4.669 4.320 -0.009 0.000 0.259 513 K C -1.507 175.077 176.600 -0.026 0.000 0.947 513 K CA -0.761 55.491 56.287 -0.058 0.000 0.819 513 K CB 1.172 33.624 32.500 -0.081 0.000 1.109 513 K HN 0.557 nan 8.250 nan 0.000 0.429 514 L N 4.472 125.694 121.223 -0.001 0.000 2.319 514 L HA 0.480 4.815 4.340 -0.009 0.000 0.281 514 L C -1.344 175.548 176.870 0.038 0.000 1.005 514 L CA -0.140 54.725 54.840 0.042 0.000 0.828 514 L CB 1.320 43.453 42.059 0.124 0.000 1.227 514 L HN 0.904 nan 8.230 nan 0.000 0.415 515 D N 3.212 123.480 120.400 -0.221 0.000 2.946 515 D HA 0.524 5.159 4.640 -0.009 0.000 0.337 515 D C -1.541 174.425 176.300 -0.557 0.000 1.332 515 D CA 0.036 53.827 54.000 -0.348 0.000 0.935 515 D CB 1.964 42.510 40.800 -0.423 0.000 1.440 515 D HN 0.256 nan 8.370 nan 0.000 0.540 516 F N -0.272 119.308 119.950 -0.616 0.000 2.643 516 F HA 0.724 5.245 4.527 -0.009 0.000 0.314 516 F C -0.925 174.913 175.800 0.064 0.000 1.096 516 F CA -1.068 56.686 58.000 -0.410 0.000 0.953 516 F CB 0.808 39.095 39.000 -1.187 0.000 1.345 516 F HN 0.324 nan 8.300 nan 0.000 0.468 517 I N -0.164 120.664 120.570 0.431 0.000 3.067 517 I HA 0.726 4.890 4.170 -0.009 0.000 0.312 517 I C -1.365 174.996 176.117 0.407 0.000 1.073 517 I CA -1.335 60.153 61.300 0.313 0.000 1.016 517 I CB 2.484 40.660 38.000 0.294 0.000 1.227 517 I HN 0.646 nan 8.210 nan 0.000 0.456 518 I N 3.764 124.505 120.570 0.285 0.000 2.382 518 I HA 0.381 4.546 4.170 -0.009 0.000 0.286 518 I C -0.867 175.400 176.117 0.250 0.000 1.002 518 I CA -0.436 61.033 61.300 0.282 0.000 1.135 518 I CB 1.671 39.793 38.000 0.204 0.000 1.288 518 I HN 0.367 nan 8.210 nan 0.000 0.448 519 L N 7.291 128.733 121.223 0.365 0.000 2.287 519 L HA 0.348 4.682 4.340 -0.009 0.000 0.287 519 L C 0.314 177.324 176.870 0.233 0.000 1.022 519 L CA -0.796 54.201 54.840 0.262 0.000 0.814 519 L CB 1.080 43.273 42.059 0.222 0.000 1.217 519 L HN 0.770 nan 8.230 nan 0.000 0.420 520 N N 4.510 123.284 118.700 0.124 0.000 2.777 520 N HA -0.295 4.439 4.740 -0.009 0.000 0.290 520 N C 0.027 175.595 175.510 0.097 0.000 1.040 520 N CA 1.076 54.178 53.050 0.088 0.000 0.819 520 N CB -0.539 37.980 38.487 0.054 0.000 0.952 520 N HN 0.946 nan 8.380 nan 0.000 0.584 521 E N -3.744 116.509 120.200 0.088 0.000 4.153 521 E HA -0.162 4.183 4.350 -0.009 0.000 0.376 521 E C -0.523 176.106 176.600 0.048 0.000 0.598 521 E CA 1.660 58.098 56.400 0.062 0.000 1.343 521 E CB -1.556 28.169 29.700 0.042 0.000 1.793 521 E HN 0.794 nan 8.360 nan 0.000 0.392 522 T N 1.621 116.224 114.554 0.082 0.000 2.887 522 T HA 0.419 4.763 4.350 -0.009 0.000 0.288 522 T C -0.226 174.403 174.700 -0.118 0.000 1.021 522 T CA -0.970 61.091 62.100 -0.065 0.000 1.000 522 T CB 2.163 70.928 68.868 -0.171 0.000 1.034 522 T HN 0.082 nan 8.240 nan 0.000 0.467 523 K N 1.953 122.170 120.400 -0.305 0.000 2.201 523 K HA 0.529 4.844 4.320 -0.009 0.000 0.278 523 K C -1.431 174.882 176.600 -0.478 0.000 1.027 523 K CA -0.469 55.654 56.287 -0.273 0.000 0.909 523 K CB 0.711 32.818 32.500 -0.657 0.000 1.062 523 K HN 0.423 nan 8.250 nan 0.000 0.465 524 F N 1.838 121.851 119.950 0.105 0.000 2.477 524 F HA 0.314 4.836 4.527 -0.009 0.000 0.335 524 F C -0.632 175.265 175.800 0.161 0.000 1.130 524 F CA -0.809 57.252 58.000 0.101 0.000 0.948 524 F CB 1.042 40.091 39.000 0.081 0.000 1.154 524 F HN 0.522 nan 8.300 nan 0.000 0.439 525 W N 3.711 125.122 121.300 0.184 0.000 2.237 525 W HA 0.480 5.134 4.660 -0.009 0.000 0.335 525 W C -0.484 176.212 176.519 0.294 0.000 1.230 525 W CA -0.466 57.017 57.345 0.230 0.000 1.253 525 W CB 0.396 29.925 29.460 0.115 0.000 1.129 525 W HN 0.455 nan 8.180 nan 0.000 0.590 526 Y N -0.683 119.960 120.300 0.571 0.000 2.625 526 Y HA 0.644 5.188 4.550 -0.009 0.000 0.338 526 Y C -1.093 175.047 175.900 0.399 0.000 1.123 526 Y CA -1.976 56.453 58.100 0.549 0.000 1.046 526 Y CB 1.077 40.032 38.460 0.825 0.000 1.299 526 Y HN 0.564 nan 8.280 nan 0.000 0.464 527 Q N 2.118 122.202 119.800 0.475 0.000 2.389 527 Q HA 0.783 5.118 4.340 -0.009 0.000 0.277 527 Q C -1.826 174.309 176.000 0.225 0.000 1.082 527 Q CA -1.159 54.789 55.803 0.241 0.000 0.810 527 Q CB 3.384 32.213 28.738 0.152 0.000 1.374 527 Q HN 0.840 nan 8.270 nan 0.000 0.422 528 M N 2.432 122.078 119.600 0.076 0.000 2.327 528 M HA 0.458 4.933 4.480 -0.009 0.000 0.298 528 M C -1.231 174.975 176.300 -0.157 0.000 1.065 528 M CA -0.978 54.277 55.300 -0.076 0.000 0.916 528 M CB 2.257 34.746 32.600 -0.185 0.000 1.630 528 M HN 0.598 nan 8.290 nan 0.000 0.442 529 I N 4.877 125.345 120.570 -0.171 0.000 2.297 529 I HA 0.369 4.534 4.170 -0.009 0.000 0.291 529 I C -0.411 175.523 176.117 -0.304 0.000 1.033 529 I CA -0.306 60.872 61.300 -0.204 0.000 1.253 529 I CB 0.289 38.193 38.000 -0.161 0.000 1.396 529 I HN 0.638 nan 8.210 nan 0.000 0.476 530 L N 8.363 129.354 121.223 -0.387 0.000 2.307 530 L HA 0.443 4.777 4.340 -0.009 0.000 0.282 530 L C -2.177 174.477 176.870 -0.360 0.000 1.051 530 L CA -1.790 52.715 54.840 -0.558 0.000 0.804 530 L CB 1.143 42.684 42.059 -0.864 0.000 1.197 530 L HN 0.255 nan 8.230 nan 0.000 0.431 531 P HA 0.070 nan 4.420 nan 0.000 0.268 531 P C -2.471 174.773 177.300 -0.094 0.000 1.208 531 P CA -0.784 62.236 63.100 -0.134 0.000 0.777 531 P CB -0.072 31.619 31.700 -0.015 0.000 0.875 532 P HA 0.004 nan 4.420 nan 0.000 0.267 532 P C -0.552 176.630 177.300 -0.198 0.000 1.200 532 P CA 0.428 63.353 63.100 -0.291 0.000 0.772 532 P CB -0.262 31.159 31.700 -0.465 0.000 0.855 533 H N -1.649 117.463 119.070 0.070 0.000 2.770 533 H HA -0.221 4.329 4.556 -0.009 0.000 0.309 533 H C -0.054 175.345 175.328 0.119 0.000 1.206 533 H CA -0.485 55.609 56.048 0.076 0.000 1.147 533 H CB -2.240 27.556 29.762 0.057 0.000 1.422 533 H HN 0.312 nan 8.280 nan 0.000 0.420 534 F N 2.475 122.435 119.950 0.015 0.000 2.612 534 F HA 0.074 4.595 4.527 -0.009 0.000 0.389 534 F C 0.561 176.381 175.800 0.033 0.000 1.055 534 F CA -0.111 57.855 58.000 -0.058 0.000 1.232 534 F CB 0.483 39.332 39.000 -0.251 0.000 1.044 534 F HN 0.274 nan 8.300 nan 0.000 0.560 535 D N 6.140 126.246 120.400 -0.490 0.000 2.454 535 D HA 0.124 4.758 4.640 -0.009 0.000 0.247 535 D C 0.541 176.476 176.300 -0.608 0.000 1.129 535 D CA -0.573 53.191 54.000 -0.393 0.000 0.877 535 D CB 0.996 41.722 40.800 -0.123 0.000 1.082 535 D HN 0.690 nan 8.370 nan 0.000 0.537 536 K N 0.991 121.005 120.400 -0.643 0.000 2.585 536 K HA -0.110 4.204 4.320 -0.009 0.000 0.194 536 K C 1.099 177.699 176.600 -0.001 0.000 1.037 536 K CA 1.028 57.133 56.287 -0.304 0.000 0.964 536 K CB -0.077 32.418 32.500 -0.008 0.000 0.787 536 K HN 0.178 nan 8.250 nan 0.000 0.488 537 S N -0.329 115.335 115.700 -0.060 0.000 2.535 537 S HA 0.078 4.543 4.470 -0.009 0.000 0.214 537 S C 0.540 175.120 174.600 -0.033 0.000 0.980 537 S CA -0.487 57.701 58.200 -0.020 0.000 0.907 537 S CB 0.082 63.260 63.200 -0.038 0.000 0.790 537 S HN 0.296 nan 8.310 nan 0.000 0.510 538 K N 1.468 121.832 120.400 -0.061 0.000 2.087 538 K HA 0.355 4.669 4.320 -0.009 0.000 0.255 538 K C -0.823 175.728 176.600 -0.082 0.000 0.988 538 K CA -0.580 55.609 56.287 -0.164 0.000 0.915 538 K CB 0.677 32.948 32.500 -0.382 0.000 1.043 538 K HN 0.059 nan 8.250 nan 0.000 0.457 539 K N 3.319 123.617 120.400 -0.169 0.000 2.334 539 K HA 0.195 4.509 4.320 -0.009 0.000 0.265 539 K C -1.290 175.243 176.600 -0.111 0.000 1.039 539 K CA -0.506 55.761 56.287 -0.034 0.000 0.920 539 K CB 0.765 33.238 32.500 -0.045 0.000 1.160 539 K HN 0.387 nan 8.250 nan 0.000 0.451 540 Y N 2.983 123.310 120.300 0.044 0.000 2.352 540 Y HA 0.248 4.792 4.550 -0.009 0.000 0.326 540 Y C -1.834 174.003 175.900 -0.105 0.000 1.166 540 Y CA -2.635 55.460 58.100 -0.007 0.000 1.182 540 Y CB 0.334 38.842 38.460 0.079 0.000 1.216 540 Y HN 0.466 nan 8.280 nan 0.000 0.474 541 P HA 0.211 nan 4.420 nan 0.000 0.274 541 P C -1.126 176.002 177.300 -0.286 0.000 1.231 541 P CA -0.249 62.553 63.100 -0.496 0.000 0.790 541 P CB 1.675 32.711 31.700 -1.107 0.000 0.951 542 L N 2.367 123.463 121.223 -0.211 0.000 2.408 542 L HA 0.520 4.854 4.340 -0.009 0.000 0.268 542 L C -1.166 175.880 176.870 0.293 0.000 0.986 542 L CA -1.036 53.839 54.840 0.057 0.000 0.820 542 L CB 1.724 43.838 42.059 0.092 0.000 1.303 542 L HN 0.256 nan 8.230 nan 0.000 0.411 543 L N 5.649 127.062 121.223 0.316 0.000 2.298 543 L HA 0.416 4.750 4.340 -0.009 0.000 0.284 543 L C -1.158 175.946 176.870 0.390 0.000 1.013 543 L CA -0.882 54.207 54.840 0.416 0.000 0.824 543 L CB 1.717 43.971 42.059 0.326 0.000 1.221 543 L HN 0.594 nan 8.230 nan 0.000 0.418 544 L N 5.345 126.847 121.223 0.466 0.000 2.283 544 L HA 0.298 4.632 4.340 -0.009 0.000 0.287 544 L C -0.201 176.919 176.870 0.416 0.000 1.073 544 L CA 0.159 55.263 54.840 0.440 0.000 0.822 544 L CB 0.703 43.059 42.059 0.495 0.000 1.186 544 L HN 0.470 nan 8.230 nan 0.000 0.436 545 D N 4.532 125.155 120.400 0.372 0.000 2.347 545 D HA 0.243 4.877 4.640 -0.009 0.000 0.235 545 D C -0.976 175.417 176.300 0.156 0.000 1.149 545 D CA 0.101 54.250 54.000 0.249 0.000 0.850 545 D CB 1.234 42.241 40.800 0.346 0.000 1.061 545 D HN 0.346 nan 8.370 nan 0.000 0.487 546 V N 5.361 125.294 119.914 0.032 0.000 2.914 546 V HA 0.463 4.577 4.120 -0.009 0.000 0.314 546 V C -1.008 175.181 176.094 0.157 0.000 1.084 546 V CA -0.445 61.935 62.300 0.135 0.000 0.963 546 V CB 1.912 33.822 31.823 0.145 0.000 1.025 546 V HN 0.641 nan 8.190 nan 0.000 0.432 547 Y N 4.594 124.968 120.300 0.123 0.000 3.266 547 Y HA 0.569 5.113 4.550 -0.010 0.000 0.189 547 Y C 1.512 177.548 175.900 0.226 0.000 0.895 547 Y CA 1.447 59.645 58.100 0.163 0.000 1.706 547 Y CB 0.078 38.614 38.460 0.127 0.000 1.449 547 Y HN 1.178 nan 8.280 nan 0.000 0.391 548 A N 0.814 123.758 122.820 0.207 0.000 2.861 548 A HA -0.160 4.155 4.320 -0.009 0.000 0.261 548 A C 0.980 178.382 177.584 -0.303 0.000 1.351 548 A CA 1.000 53.083 52.037 0.076 0.000 0.904 548 A CB -2.487 16.620 19.000 0.179 0.000 1.076 548 A HN 1.014 nan 8.150 nan 0.000 0.729 549 G N -0.290 108.050 108.800 -0.766 0.000 2.569 549 G HA2 0.480 4.434 3.960 -0.009 0.000 0.249 549 G HA3 0.480 4.434 3.960 -0.009 0.000 0.249 549 G C -1.772 172.806 174.900 -0.535 0.000 1.216 549 G CA -0.559 43.665 45.100 -1.460 0.000 0.845 549 G HN 0.410 nan 8.290 nan 0.000 0.568 550 P HA -0.032 nan 4.420 nan 0.000 0.261 550 P C 0.727 177.897 177.300 -0.216 0.000 1.183 550 P CA 0.310 63.151 63.100 -0.431 0.000 0.761 550 P CB 0.684 31.771 31.700 -1.023 0.000 0.785 551 C N 2.252 121.487 119.300 -0.109 0.000 4.392 551 C HA -0.152 4.303 4.460 -0.009 0.000 0.280 551 C C 1.068 176.056 174.990 -0.004 0.000 1.381 551 C CA 1.171 60.083 59.018 -0.176 0.000 1.871 551 C CB -2.606 24.872 27.740 -0.436 0.000 1.323 551 C HN 0.835 nan 8.230 nan 0.000 0.772 552 S N 0.039 115.821 115.700 0.137 0.000 2.632 552 S HA 0.588 5.053 4.470 -0.009 0.000 0.267 552 S C -0.637 174.120 174.600 0.262 0.000 1.276 552 S CA 0.136 58.506 58.200 0.283 0.000 0.998 552 S CB 1.649 65.105 63.200 0.426 0.000 0.953 552 S HN 0.829 nan 8.310 nan 0.000 0.547 553 Q N 0.010 119.990 119.800 0.300 0.000 2.309 553 Q HA 0.363 4.698 4.340 -0.009 0.000 0.254 553 Q C -0.761 175.366 176.000 0.211 0.000 0.938 553 Q CA -0.608 55.363 55.803 0.280 0.000 0.789 553 Q CB 1.063 30.026 28.738 0.375 0.000 1.313 553 Q HN 0.688 nan 8.270 nan 0.000 0.438 554 K N 1.152 121.675 120.400 0.206 0.000 2.374 554 K HA 0.349 4.663 4.320 -0.009 0.000 0.202 554 K C -0.549 176.161 176.600 0.183 0.000 1.040 554 K CA 0.214 56.614 56.287 0.188 0.000 1.085 554 K CB 1.575 34.214 32.500 0.230 0.000 0.873 554 K HN 0.492 nan 8.250 nan 0.000 0.539 555 A N 2.581 125.514 122.820 0.189 0.000 2.293 555 A HA 0.467 4.782 4.320 -0.009 0.000 0.312 555 A C -0.859 176.796 177.584 0.117 0.000 1.309 555 A CA -0.564 51.586 52.037 0.188 0.000 0.839 555 A CB 0.289 19.457 19.000 0.279 0.000 1.155 555 A HN 0.230 nan 8.150 nan 0.000 0.501 556 D N -0.085 120.363 120.400 0.079 0.000 2.752 556 D HA 0.445 5.079 4.640 -0.009 0.000 0.313 556 D C 0.327 176.647 176.300 0.032 0.000 1.225 556 D CA 0.269 54.304 54.000 0.058 0.000 0.976 556 D CB 0.344 41.180 40.800 0.061 0.000 1.443 556 D HN 0.172 nan 8.370 nan 0.000 0.515 557 T N -2.210 112.382 114.554 0.063 0.000 3.223 557 T HA 0.352 4.696 4.350 -0.009 0.000 0.259 557 T C 0.277 174.949 174.700 -0.047 0.000 1.015 557 T CA -0.421 61.708 62.100 0.049 0.000 0.908 557 T CB -0.729 68.214 68.868 0.126 0.000 1.054 557 T HN 0.264 nan 8.240 nan 0.000 0.567 558 V N 2.551 122.337 119.914 -0.213 0.000 2.583 558 V HA 0.358 4.472 4.120 -0.009 0.000 0.287 558 V C 0.058 176.095 176.094 -0.096 0.000 1.051 558 V CA -1.068 61.065 62.300 -0.279 0.000 1.010 558 V CB 0.266 31.805 31.823 -0.474 0.000 0.988 558 V HN 0.587 nan 8.190 nan 0.000 0.478 559 F N 6.567 126.422 119.950 -0.157 0.000 2.438 559 F HA 0.543 5.064 4.527 -0.010 0.000 0.356 559 F C 0.503 176.248 175.800 -0.091 0.000 1.099 559 F CA -0.094 57.841 58.000 -0.109 0.000 1.185 559 F CB 0.202 39.145 39.000 -0.094 0.000 1.115 559 F HN 0.434 nan 8.300 nan 0.000 0.526 560 R N 5.629 125.653 120.500 -0.792 0.000 2.725 560 R HA 0.579 4.913 4.340 -0.009 0.000 0.277 560 R C -1.953 173.939 176.300 -0.679 0.000 0.987 560 R CA -1.250 54.525 56.100 -0.543 0.000 0.901 560 R CB 1.946 32.090 30.300 -0.259 0.000 1.207 560 R HN 0.458 nan 8.270 nan 0.000 0.463 561 L N 3.948 124.956 121.223 -0.358 0.000 2.366 561 L HA 0.353 4.688 4.340 -0.009 0.000 0.266 561 L C -0.773 176.089 176.870 -0.012 0.000 1.010 561 L CA -0.479 54.206 54.840 -0.259 0.000 0.879 561 L CB 0.428 42.460 42.059 -0.045 0.000 1.228 561 L HN 0.752 nan 8.230 nan 0.000 0.439 562 N N 0.109 118.733 118.700 -0.128 0.000 3.550 562 N HA 0.195 4.929 4.740 -0.009 0.000 0.345 562 N C 0.529 175.693 175.510 -0.577 0.000 1.647 562 N CA -0.760 52.129 53.050 -0.268 0.000 0.737 562 N CB -0.066 38.368 38.487 -0.088 0.000 2.178 562 N HN 0.187 nan 8.380 nan 0.000 0.638 563 W N 0.571 121.261 121.300 -1.016 0.000 2.338 563 W HA 0.154 4.809 4.660 -0.009 0.000 0.304 563 W C 2.073 178.523 176.519 -0.116 0.000 1.212 563 W CA 2.794 59.770 57.345 -0.615 0.000 1.264 563 W CB -1.025 28.239 29.460 -0.326 0.000 1.142 563 W HN 0.687 nan 8.180 nan 0.000 0.512 564 A N -0.625 122.157 122.820 -0.064 0.000 1.972 564 A HA -0.197 4.117 4.320 -0.009 0.000 0.219 564 A C 1.937 179.405 177.584 -0.193 0.000 1.169 564 A CA 2.403 54.338 52.037 -0.169 0.000 0.635 564 A CB -1.249 17.735 19.000 -0.027 0.000 0.810 564 A HN 0.290 nan 8.150 nan 0.000 0.446 565 T N -1.197 113.263 114.554 -0.157 0.000 2.746 565 T HA -0.201 4.144 4.350 -0.009 0.000 0.267 565 T C 1.810 176.526 174.700 0.027 0.000 1.039 565 T CA 1.752 63.738 62.100 -0.189 0.000 1.142 565 T CB -0.462 68.126 68.868 -0.466 0.000 0.866 565 T HN 0.705 nan 8.240 nan 0.000 0.444 566 Y N 1.959 122.333 120.300 0.122 0.000 2.200 566 Y HA 0.021 4.566 4.550 -0.009 0.000 0.290 566 Y C 1.934 177.812 175.900 -0.036 0.000 1.137 566 Y CA 0.813 59.016 58.100 0.171 0.000 1.163 566 Y CB -0.752 37.794 38.460 0.144 0.000 0.988 566 Y HN 0.115 nan 8.280 nan 0.000 0.518 567 L N 0.223 120.997 121.223 -0.749 0.000 2.042 567 L HA -0.225 4.110 4.340 -0.009 0.000 0.210 567 L C 2.829 179.432 176.870 -0.445 0.000 1.076 567 L CA 1.402 55.744 54.840 -0.829 0.000 0.749 567 L CB -1.029 40.594 42.059 -0.726 0.000 0.893 567 L HN 0.419 nan 8.230 nan 0.000 0.432 568 A N -1.119 121.522 122.820 -0.299 0.000 1.854 568 A HA -0.193 4.121 4.320 -0.009 0.000 0.214 568 A C 2.525 180.022 177.584 -0.145 0.000 1.192 568 A CA 1.805 53.722 52.037 -0.201 0.000 0.611 568 A CB -0.722 18.156 19.000 -0.203 0.000 0.832 568 A HN 0.339 nan 8.150 nan 0.000 0.442 569 S N -1.228 114.406 115.700 -0.111 0.000 2.356 569 S HA -0.129 4.336 4.470 -0.009 0.000 0.223 569 S C 2.007 176.604 174.600 -0.005 0.000 1.032 569 S CA 2.352 60.531 58.200 -0.034 0.000 1.005 569 S CB -0.415 62.824 63.200 0.065 0.000 0.867 569 S HN 0.590 nan 8.310 nan 0.000 0.449 570 T N 1.186 115.723 114.554 -0.029 0.000 2.953 570 T HA 0.166 4.510 4.350 -0.009 0.000 0.247 570 T C 1.420 176.085 174.700 -0.058 0.000 1.029 570 T CA 0.586 62.691 62.100 0.009 0.000 1.144 570 T CB -0.119 68.849 68.868 0.167 0.000 0.870 570 T HN 0.314 nan 8.240 nan 0.000 0.446 571 E N 1.315 121.388 120.200 -0.212 0.000 2.479 571 E HA 0.151 4.496 4.350 -0.009 0.000 0.193 571 E C -0.029 176.541 176.600 -0.051 0.000 1.049 571 E CA -0.060 56.259 56.400 -0.136 0.000 0.870 571 E CB -0.392 29.167 29.700 -0.235 0.000 0.944 571 E HN 0.545 nan 8.360 nan 0.000 0.492 572 N N 0.619 119.295 118.700 -0.039 0.000 2.738 572 N HA -0.188 4.547 4.740 -0.009 0.000 0.249 572 N C -0.864 174.703 175.510 0.094 0.000 1.047 572 N CA 0.206 53.295 53.050 0.065 0.000 0.707 572 N CB -1.172 37.395 38.487 0.132 0.000 0.937 572 N HN 0.202 nan 8.380 nan 0.000 0.545 573 I N 0.825 121.382 120.570 -0.021 0.000 2.441 573 I HA 0.386 4.551 4.170 -0.009 0.000 0.295 573 I C 0.545 176.616 176.117 -0.077 0.000 0.994 573 I CA -0.884 60.407 61.300 -0.015 0.000 1.144 573 I CB 1.499 39.499 38.000 -0.001 0.000 1.314 573 I HN 0.022 nan 8.210 nan 0.000 0.445 574 I N 6.132 126.661 120.570 -0.068 0.000 2.371 574 I HA 0.202 4.366 4.170 -0.009 0.000 0.290 574 I C -0.453 175.621 176.117 -0.071 0.000 1.028 574 I CA -0.478 60.732 61.300 -0.151 0.000 1.345 574 I CB 1.187 39.088 38.000 -0.166 0.000 1.407 574 I HN 0.185 nan 8.210 nan 0.000 0.501 575 V N 6.616 126.476 119.914 -0.089 0.000 2.334 575 V HA 0.634 4.748 4.120 -0.009 0.000 0.281 575 V C 0.281 176.382 176.094 0.011 0.000 1.016 575 V CA -0.406 61.899 62.300 0.008 0.000 0.832 575 V CB 1.198 33.020 31.823 -0.001 0.000 0.999 575 V HN 0.850 nan 8.190 nan 0.000 0.439 576 A N 3.984 126.844 122.820 0.067 0.000 2.354 576 A HA 0.963 5.277 4.320 -0.009 0.000 0.321 576 A C -0.240 177.502 177.584 0.264 0.000 1.125 576 A CA -0.544 51.533 52.037 0.067 0.000 0.799 576 A CB 1.857 20.713 19.000 -0.239 0.000 1.293 576 A HN 0.672 nan 8.150 nan 0.000 0.452 577 S N -0.323 115.587 115.700 0.350 0.000 2.549 577 S HA 0.731 5.195 4.470 -0.009 0.000 0.280 577 S C -1.537 173.435 174.600 0.621 0.000 1.109 577 S CA -0.288 58.167 58.200 0.425 0.000 0.905 577 S CB 1.298 64.684 63.200 0.310 0.000 1.081 577 S HN 0.746 nan 8.310 nan 0.000 0.477 578 F N 1.929 122.129 119.950 0.416 0.000 2.547 578 F HA 0.473 4.994 4.527 -0.009 0.000 0.316 578 F C -1.404 174.611 175.800 0.359 0.000 1.121 578 F CA -0.766 57.500 58.000 0.442 0.000 0.911 578 F CB 1.461 40.681 39.000 0.367 0.000 1.179 578 F HN 0.389 nan 8.300 nan 0.000 0.443 579 D N 4.724 124.964 120.400 -0.266 0.000 2.467 579 D HA 0.342 4.976 4.640 -0.009 0.000 0.220 579 D C 0.399 176.482 176.300 -0.360 0.000 1.103 579 D CA 0.150 54.069 54.000 -0.134 0.000 0.886 579 D CB 1.396 42.243 40.800 0.078 0.000 1.025 579 D HN 0.759 nan 8.370 nan 0.000 0.514 580 G N 1.294 109.989 108.800 -0.174 0.000 2.695 580 G HA2 0.275 4.230 3.960 -0.009 0.000 0.213 580 G HA3 0.275 4.230 3.960 -0.009 0.000 0.213 580 G C 0.188 175.191 174.900 0.172 0.000 1.406 580 G CA -0.694 44.388 45.100 -0.029 0.000 1.049 580 G HN 0.285 nan 8.290 nan 0.000 0.573 581 R N -0.734 119.839 120.500 0.123 0.000 2.623 581 R HA 0.374 4.708 4.340 -0.009 0.000 0.271 581 R C 1.214 177.622 176.300 0.180 0.000 1.043 581 R CA 1.461 57.681 56.100 0.200 0.000 1.083 581 R CB 0.494 30.872 30.300 0.131 0.000 0.974 581 R HN 1.041 nan 8.270 nan 0.000 0.436 582 G N 1.194 110.088 108.800 0.156 0.000 2.232 582 G HA2 -0.278 3.677 3.960 -0.009 0.000 0.226 582 G HA3 -0.278 3.677 3.960 -0.009 0.000 0.226 582 G C 0.287 175.224 174.900 0.063 0.000 0.996 582 G CA 0.049 45.219 45.100 0.116 0.000 0.626 582 G HN 0.589 nan 8.290 nan 0.000 0.509 583 S N 0.730 116.480 115.700 0.083 0.000 2.573 583 S HA 0.514 4.979 4.470 -0.009 0.000 0.277 583 S C 1.021 175.608 174.600 -0.020 0.000 1.346 583 S CA 0.619 58.857 58.200 0.064 0.000 1.034 583 S CB 0.808 64.077 63.200 0.115 0.000 0.879 583 S HN 1.334 nan 8.310 nan 0.000 0.528 584 G N 0.213 108.964 108.800 -0.082 0.000 2.601 584 G HA2 0.515 4.469 3.960 -0.009 0.000 0.317 584 G HA3 0.515 4.469 3.960 -0.009 0.000 0.317 584 G C -1.073 173.692 174.900 -0.225 0.000 1.246 584 G CA -0.658 44.241 45.100 -0.335 0.000 1.012 584 G HN 0.830 nan 8.290 nan 0.000 0.494 585 Y N -2.343 117.948 120.300 -0.016 0.000 4.668 585 Y HA -0.217 4.327 4.550 -0.010 0.000 0.234 585 Y C 1.404 177.292 175.900 -0.021 0.000 1.056 585 Y CA 1.082 59.174 58.100 -0.013 0.000 2.025 585 Y CB -2.152 36.320 38.460 0.019 0.000 1.613 585 Y HN 0.551 nan 8.280 nan 0.000 0.653 586 Q N -0.104 119.698 119.800 0.003 0.000 2.086 586 Q HA 0.506 4.840 4.340 -0.009 0.000 0.220 586 Q C 0.915 176.784 176.000 -0.219 0.000 0.792 586 Q CA 0.221 56.026 55.803 0.003 0.000 1.062 586 Q CB 1.646 30.381 28.738 -0.004 0.000 1.198 586 Q HN 0.580 nan 8.270 nan 0.000 0.466 587 G N 0.729 109.262 108.800 -0.445 0.000 2.663 587 G HA2 -0.172 3.783 3.960 -0.009 0.000 0.686 587 G HA3 -0.172 3.783 3.960 -0.009 0.000 0.686 587 G C -0.522 173.990 174.900 -0.647 0.000 1.246 587 G CA -0.599 43.945 45.100 -0.926 0.000 0.795 587 G HN 0.106 nan 8.290 nan 0.000 0.627 588 D N -0.031 119.951 120.400 -0.697 0.000 2.269 588 D HA -0.042 4.593 4.640 -0.009 0.000 0.208 588 D C 2.179 178.191 176.300 -0.481 0.000 0.963 588 D CA 1.161 54.709 54.000 -0.752 0.000 0.864 588 D CB 0.066 40.334 40.800 -0.886 0.000 0.936 588 D HN 0.591 nan 8.370 nan 0.000 0.505 589 K N 0.521 120.705 120.400 -0.361 0.000 2.063 589 K HA -0.112 4.202 4.320 -0.009 0.000 0.208 589 K C 1.993 178.520 176.600 -0.122 0.000 1.048 589 K CA 0.888 57.059 56.287 -0.193 0.000 0.928 589 K CB 0.006 32.411 32.500 -0.157 0.000 0.713 589 K HN 0.113 nan 8.250 nan 0.000 0.442 590 I N 0.186 120.667 120.570 -0.148 0.000 2.339 590 I HA -0.201 3.964 4.170 -0.009 0.000 0.245 590 I C 2.604 178.712 176.117 -0.014 0.000 1.096 590 I CA 0.696 61.978 61.300 -0.030 0.000 1.408 590 I CB -0.096 37.886 38.000 -0.030 0.000 1.092 590 I HN 0.272 nan 8.210 nan 0.000 0.423 591 M N 0.203 119.725 119.600 -0.130 0.000 2.086 591 M HA -0.240 4.235 4.480 -0.009 0.000 0.261 591 M C 1.911 178.263 176.300 0.087 0.000 1.067 591 M CA 2.016 57.272 55.300 -0.074 0.000 1.116 591 M CB -0.323 32.130 32.600 -0.244 0.000 1.348 591 M HN 0.263 nan 8.290 nan 0.000 0.407 592 H N -0.690 118.286 119.070 -0.156 0.000 2.547 592 H HA 0.163 4.713 4.556 -0.010 0.000 0.266 592 H C 1.834 177.187 175.328 0.042 0.000 0.988 592 H CA 0.078 56.050 56.048 -0.128 0.000 1.147 592 H CB 0.126 29.721 29.762 -0.280 0.000 1.365 592 H HN 0.533 nan 8.280 nan 0.000 0.589 593 A N 1.550 124.480 122.820 0.183 0.000 2.024 593 A HA -0.139 4.176 4.320 -0.009 0.000 0.220 593 A C 2.001 179.795 177.584 0.351 0.000 1.164 593 A CA 1.153 53.315 52.037 0.209 0.000 0.643 593 A CB -0.627 18.458 19.000 0.141 0.000 0.806 593 A HN 0.583 nan 8.150 nan 0.000 0.451 594 I N -3.320 117.430 120.570 0.300 0.000 3.914 594 I HA 0.191 4.356 4.170 -0.009 0.000 0.333 594 I C 0.303 176.510 176.117 0.150 0.000 1.449 594 I CA -0.552 60.881 61.300 0.222 0.000 1.135 594 I CB -0.527 37.575 38.000 0.170 0.000 1.073 594 I HN 0.195 nan 8.210 nan 0.000 0.401 595 N N 2.990 121.819 118.700 0.214 0.000 2.357 595 N HA -0.061 4.673 4.740 -0.009 0.000 0.257 595 N C 0.251 175.790 175.510 0.049 0.000 1.250 595 N CA 0.306 53.477 53.050 0.201 0.000 0.862 595 N CB 0.353 38.920 38.487 0.134 0.000 1.066 595 N HN 0.421 nan 8.380 nan 0.000 0.468 596 R N 0.599 121.105 120.500 0.010 0.000 4.016 596 R HA -0.158 4.176 4.340 -0.009 0.000 0.385 596 R C -0.333 175.837 176.300 -0.216 0.000 1.158 596 R CA 0.872 56.929 56.100 -0.072 0.000 1.117 596 R CB -0.747 29.523 30.300 -0.049 0.000 1.635 596 R HN 0.650 nan 8.270 nan 0.000 0.560 597 R N 0.601 120.973 120.500 -0.214 0.000 2.718 597 R HA 0.281 4.615 4.340 -0.009 0.000 0.307 597 R C -0.257 176.020 176.300 -0.038 0.000 1.244 597 R CA -0.262 55.585 56.100 -0.421 0.000 1.348 597 R CB 0.354 30.382 30.300 -0.454 0.000 1.304 597 R HN 0.109 nan 8.270 nan 0.000 0.663 598 L N -0.155 121.129 121.223 0.101 0.000 2.461 598 L HA 0.184 4.518 4.340 -0.009 0.000 0.272 598 L C 1.366 178.482 176.870 0.410 0.000 1.197 598 L CA 0.867 55.800 54.840 0.155 0.000 0.836 598 L CB 0.441 42.377 42.059 -0.206 0.000 1.105 598 L HN 0.691 nan 8.230 nan 0.000 0.477 599 G N 0.837 109.909 108.800 0.454 0.000 2.136 599 G HA2 -0.286 3.668 3.960 -0.009 0.000 0.242 599 G HA3 -0.286 3.668 3.960 -0.009 0.000 0.242 599 G C 0.427 175.409 174.900 0.137 0.000 0.989 599 G CA 0.555 45.858 45.100 0.338 0.000 0.682 599 G HN 0.843 nan 8.290 nan 0.000 0.522 600 T N -3.472 111.126 114.554 0.073 0.000 2.995 600 T HA 0.489 4.833 4.350 -0.009 0.000 0.170 600 T C 1.646 176.323 174.700 -0.038 0.000 0.844 600 T CA 0.921 62.958 62.100 -0.104 0.000 1.137 600 T CB -0.056 68.554 68.868 -0.429 0.000 2.193 600 T HN 0.157 nan 8.240 nan 0.000 0.384 601 F N 3.442 123.436 119.950 0.073 0.000 2.161 601 F HA 0.058 4.580 4.527 -0.010 0.000 0.300 601 F C 2.813 178.653 175.800 0.067 0.000 1.089 601 F CA 1.281 59.313 58.000 0.054 0.000 1.282 601 F CB -0.758 38.270 39.000 0.047 0.000 1.010 601 F HN 0.537 nan 8.300 nan 0.000 0.485 602 E N 0.940 121.304 120.200 0.274 0.000 2.204 602 E HA -0.152 4.192 4.350 -0.009 0.000 0.194 602 E C 2.258 178.972 176.600 0.189 0.000 0.989 602 E CA 1.532 58.067 56.400 0.226 0.000 0.824 602 E CB -1.059 28.774 29.700 0.222 0.000 0.756 602 E HN 0.374 nan 8.360 nan 0.000 0.477 603 V N 0.618 120.616 119.914 0.141 0.000 2.500 603 V HA -0.106 4.008 4.120 -0.009 0.000 0.243 603 V C 1.955 178.086 176.094 0.061 0.000 1.039 603 V CA 1.634 63.970 62.300 0.061 0.000 1.053 603 V CB -0.162 31.642 31.823 -0.033 0.000 0.695 603 V HN 0.122 nan 8.190 nan 0.000 0.463 604 E N 0.127 120.379 120.200 0.088 0.000 2.118 604 E HA -0.235 4.109 4.350 -0.009 0.000 0.195 604 E C 1.866 178.500 176.600 0.056 0.000 0.992 604 E CA 1.733 58.181 56.400 0.080 0.000 0.804 604 E CB -0.190 29.591 29.700 0.135 0.000 0.741 604 E HN 0.627 nan 8.360 nan 0.000 0.458 605 D N 0.256 120.709 120.400 0.088 0.000 2.219 605 D HA -0.120 4.514 4.640 -0.009 0.000 0.205 605 D C 1.904 178.208 176.300 0.006 0.000 0.970 605 D CA 0.710 54.743 54.000 0.056 0.000 0.851 605 D CB -0.038 40.858 40.800 0.160 0.000 0.943 605 D HN 0.101 nan 8.370 nan 0.000 0.488 606 Q N -0.050 119.806 119.800 0.094 0.000 2.172 606 Q HA 0.026 4.361 4.340 -0.009 0.000 0.200 606 Q C 2.482 178.522 176.000 0.068 0.000 0.964 606 Q CA 0.405 56.266 55.803 0.097 0.000 0.855 606 Q CB 0.100 28.919 28.738 0.134 0.000 0.918 606 Q HN 0.425 nan 8.270 nan 0.000 0.444 607 I N 0.650 121.272 120.570 0.087 0.000 2.202 607 I HA -0.241 3.923 4.170 -0.009 0.000 0.242 607 I C 2.347 178.439 176.117 -0.043 0.000 1.091 607 I CA 1.116 62.520 61.300 0.174 0.000 1.368 607 I CB -0.180 37.903 38.000 0.138 0.000 1.058 607 I HN 0.134 nan 8.210 nan 0.000 0.410 608 E N 1.591 121.704 120.200 -0.146 0.000 2.110 608 E HA -0.181 4.163 4.350 -0.009 0.000 0.193 608 E C 2.089 178.396 176.600 -0.489 0.000 0.988 608 E CA 1.573 57.818 56.400 -0.259 0.000 0.804 608 E CB -0.152 29.411 29.700 -0.227 0.000 0.745 608 E HN 0.405 nan 8.360 nan 0.000 0.458 609 A N 0.815 123.191 122.820 -0.739 0.000 1.902 609 A HA -0.083 4.231 4.320 -0.009 0.000 0.217 609 A C 2.458 179.342 177.584 -1.166 0.000 1.181 609 A CA 2.170 53.429 52.037 -1.297 0.000 0.623 609 A CB -1.061 16.987 19.000 -1.586 0.000 0.818 609 A HN 0.386 nan 8.150 nan 0.000 0.443 610 A N -0.306 122.198 122.820 -0.526 0.000 1.933 610 A HA -0.160 4.154 4.320 -0.009 0.000 0.218 610 A C 2.242 179.642 177.584 -0.306 0.000 1.175 610 A CA 1.475 53.356 52.037 -0.259 0.000 0.628 610 A CB -0.452 18.446 19.000 -0.169 0.000 0.814 610 A HN 0.564 nan 8.150 nan 0.000 0.444 611 R N -0.775 119.529 120.500 -0.327 0.000 2.081 611 R HA -0.112 4.223 4.340 -0.009 0.000 0.235 611 R C 2.329 178.466 176.300 -0.272 0.000 1.131 611 R CA 1.365 57.310 56.100 -0.258 0.000 0.960 611 R CB -0.294 29.878 30.300 -0.213 0.000 0.856 611 R HN 0.553 nan 8.270 nan 0.000 0.436 612 Q N -0.149 119.413 119.800 -0.396 0.000 2.119 612 Q HA -0.114 4.221 4.340 -0.009 0.000 0.201 612 Q C 2.022 177.858 176.000 -0.273 0.000 0.972 612 Q CA 1.312 56.897 55.803 -0.364 0.000 0.847 612 Q CB -0.148 28.304 28.738 -0.477 0.000 0.903 612 Q HN 0.273 nan 8.270 nan 0.000 0.433 613 F N 1.392 121.175 119.950 -0.277 0.000 2.113 613 F HA -0.156 4.366 4.527 -0.009 0.000 0.297 613 F C 2.763 178.357 175.800 -0.344 0.000 1.103 613 F CA 1.266 59.089 58.000 -0.296 0.000 1.248 613 F CB -1.394 37.488 39.000 -0.197 0.000 0.999 613 F HN 0.087 nan 8.300 nan 0.000 0.475 614 S N -0.238 115.418 115.700 -0.074 0.000 2.383 614 S HA -0.173 4.292 4.470 -0.009 0.000 0.229 614 S C 1.780 176.266 174.600 -0.190 0.000 1.030 614 S CA 0.954 59.069 58.200 -0.140 0.000 1.002 614 S CB -0.430 62.695 63.200 -0.125 0.000 0.829 614 S HN 0.146 nan 8.310 nan 0.000 0.467 615 K N 1.041 121.334 120.400 -0.178 0.000 2.525 615 K HA 0.285 4.599 4.320 -0.009 0.000 0.192 615 K C 1.501 177.987 176.600 -0.190 0.000 1.029 615 K CA 0.357 56.547 56.287 -0.160 0.000 1.029 615 K CB -0.534 31.888 32.500 -0.130 0.000 0.814 615 K HN 0.561 nan 8.250 nan 0.000 0.503 616 M N -1.045 118.373 119.600 -0.304 0.000 2.619 616 M HA 0.018 4.492 4.480 -0.009 0.000 0.251 616 M C 1.077 177.112 176.300 -0.441 0.000 1.106 616 M CA 0.907 55.977 55.300 -0.383 0.000 1.086 616 M CB 0.110 32.355 32.600 -0.591 0.000 1.465 616 M HN 0.358 nan 8.290 nan 0.000 0.506 617 G N 0.947 109.513 108.800 -0.390 0.000 2.217 617 G HA2 -0.288 3.666 3.960 -0.009 0.000 0.246 617 G HA3 -0.288 3.666 3.960 -0.009 0.000 0.246 617 G C 0.393 175.232 174.900 -0.103 0.000 0.990 617 G CA 0.284 45.262 45.100 -0.204 0.000 0.627 617 G HN 0.576 nan 8.290 nan 0.000 0.522 618 F N 0.434 120.439 119.950 0.092 0.000 2.708 618 F HA 0.782 5.303 4.527 -0.009 0.000 0.300 618 F C 0.072 175.989 175.800 0.196 0.000 1.118 618 F CA -1.609 56.483 58.000 0.153 0.000 1.307 618 F CB 0.027 39.168 39.000 0.235 0.000 0.986 618 F HN 0.082 nan 8.300 nan 0.000 0.522 619 V N 1.157 121.138 119.914 0.112 0.000 2.495 619 V HA 0.253 4.367 4.120 -0.009 0.000 0.298 619 V C -0.786 175.318 176.094 0.016 0.000 1.031 619 V CA -0.779 61.586 62.300 0.109 0.000 0.871 619 V CB 1.834 33.671 31.823 0.023 0.000 0.988 619 V HN 0.097 nan 8.190 nan 0.000 0.432 620 D N 3.896 124.294 120.400 -0.004 0.000 2.352 620 D HA 0.040 4.674 4.640 -0.009 0.000 0.245 620 D C 1.285 177.542 176.300 -0.072 0.000 1.224 620 D CA -0.215 53.751 54.000 -0.057 0.000 0.879 620 D CB 0.695 41.438 40.800 -0.095 0.000 1.057 620 D HN 0.636 nan 8.370 nan 0.000 0.491 621 N N 3.904 122.563 118.700 -0.068 0.000 2.519 621 N HA -0.179 4.556 4.740 -0.009 0.000 0.186 621 N C 0.649 176.120 175.510 -0.064 0.000 1.062 621 N CA 0.737 53.739 53.050 -0.079 0.000 0.910 621 N CB -0.001 38.436 38.487 -0.084 0.000 0.958 621 N HN 0.398 nan 8.380 nan 0.000 0.445 622 K N -0.166 120.204 120.400 -0.049 0.000 2.426 622 K HA 0.164 4.479 4.320 -0.009 0.000 0.193 622 K C 0.231 176.838 176.600 0.012 0.000 1.028 622 K CA 0.170 56.446 56.287 -0.019 0.000 1.047 622 K CB 0.451 32.941 32.500 -0.018 0.000 0.821 622 K HN 0.161 nan 8.250 nan 0.000 0.513 623 R N 1.221 121.702 120.500 -0.032 0.000 2.681 623 R HA 0.350 4.684 4.340 -0.009 0.000 0.277 623 R C -0.975 175.302 176.300 -0.038 0.000 1.563 623 R CA -0.128 55.952 56.100 -0.034 0.000 1.673 623 R CB 0.649 30.753 30.300 -0.327 0.000 1.258 623 R HN -0.015 nan 8.270 nan 0.000 0.650 624 I N 1.172 121.839 120.570 0.162 0.000 2.406 624 I HA 0.553 4.717 4.170 -0.009 0.000 0.290 624 I C 0.018 176.422 176.117 0.479 0.000 0.999 624 I CA -0.743 60.681 61.300 0.207 0.000 1.124 624 I CB 1.893 39.848 38.000 -0.075 0.000 1.289 624 I HN 0.310 nan 8.210 nan 0.000 0.441 625 A N 7.161 130.376 122.820 0.659 0.000 2.387 625 A HA 0.938 5.253 4.320 -0.009 0.000 0.303 625 A C -1.085 176.865 177.584 0.611 0.000 1.145 625 A CA -0.662 51.733 52.037 0.596 0.000 0.801 625 A CB 2.183 21.397 19.000 0.357 0.000 1.342 625 A HN 0.735 nan 8.150 nan 0.000 0.440 626 I N 0.184 121.029 120.570 0.458 0.000 2.775 626 I HA 0.683 4.848 4.170 -0.009 0.000 0.295 626 I C -2.029 174.349 176.117 0.435 0.000 1.287 626 I CA -0.563 60.949 61.300 0.352 0.000 1.029 626 I CB 1.727 39.686 38.000 -0.068 0.000 1.282 626 I HN 0.962 nan 8.210 nan 0.000 0.426 627 W N 6.834 128.267 121.300 0.221 0.000 3.137 627 W HA 0.851 5.506 4.660 -0.009 0.000 0.324 627 W C -1.484 175.189 176.519 0.257 0.000 1.253 627 W CA -0.928 56.558 57.345 0.235 0.000 1.183 627 W CB 1.032 30.680 29.460 0.313 0.000 1.424 627 W HN 0.848 nan 8.180 nan 0.000 0.566 628 G N 0.628 109.360 108.800 -0.114 0.000 2.601 628 G HA2 0.468 4.422 3.960 -0.009 0.000 0.291 628 G HA3 0.468 4.422 3.960 -0.009 0.000 0.291 628 G C -2.825 172.032 174.900 -0.072 0.000 1.456 628 G CA -0.746 44.145 45.100 -0.348 0.000 0.804 628 G HN 0.608 nan 8.290 nan 0.000 0.499 629 W N 1.053 122.244 121.300 -0.182 0.000 2.702 629 W HA 0.576 5.230 4.660 -0.009 0.000 0.331 629 W C 0.842 177.421 176.519 0.099 0.000 1.049 629 W CA 0.375 57.705 57.345 -0.025 0.000 1.230 629 W CB 1.852 31.297 29.460 -0.024 0.000 1.408 629 W HN 1.216 nan 8.180 nan 0.000 0.492 630 S N 3.101 119.050 115.700 0.416 0.000 4.155 630 S HA -0.435 4.029 4.470 -0.009 0.000 0.576 630 S C 1.191 175.874 174.600 0.138 0.000 1.870 630 S CA 2.058 60.482 58.200 0.373 0.000 4.248 630 S CB -1.843 61.753 63.200 0.660 0.000 0.215 630 S HN 0.719 nan 8.310 nan 0.000 0.460 631 Y N 2.579 122.864 120.300 -0.025 0.000 2.224 631 Y HA 0.103 4.648 4.550 -0.009 0.000 0.289 631 Y C 2.413 178.243 175.900 -0.117 0.000 1.146 631 Y CA 2.406 60.393 58.100 -0.189 0.000 1.182 631 Y CB -1.004 37.098 38.460 -0.595 0.000 0.983 631 Y HN 0.501 nan 8.280 nan 0.000 0.524 632 G N -1.103 107.750 108.800 0.088 0.000 2.443 632 G HA2 -0.186 3.769 3.960 -0.009 0.000 0.219 632 G HA3 -0.186 3.769 3.960 -0.009 0.000 0.219 632 G C 1.890 176.833 174.900 0.072 0.000 1.131 632 G CA 0.690 45.855 45.100 0.109 0.000 0.775 632 G HN 0.563 nan 8.290 nan 0.000 0.547 633 G N -0.181 108.667 108.800 0.078 0.000 2.403 633 G HA2 -0.191 3.763 3.960 -0.009 0.000 0.216 633 G HA3 -0.191 3.763 3.960 -0.009 0.000 0.216 633 G C 1.570 176.500 174.900 0.050 0.000 1.154 633 G CA 1.006 46.136 45.100 0.050 0.000 0.784 633 G HN 0.404 nan 8.290 nan 0.000 0.538 634 Y N 1.473 121.680 120.300 -0.155 0.000 2.114 634 Y HA -0.120 4.424 4.550 -0.009 0.000 0.284 634 Y C 2.752 178.565 175.900 -0.144 0.000 1.143 634 Y CA 1.615 59.572 58.100 -0.238 0.000 1.135 634 Y CB -0.506 37.656 38.460 -0.497 0.000 0.980 634 Y HN 0.022 nan 8.280 nan 0.000 0.499 635 V N -0.232 119.571 119.914 -0.185 0.000 2.343 635 V HA -0.326 3.789 4.120 -0.009 0.000 0.247 635 V C 2.327 178.313 176.094 -0.180 0.000 1.051 635 V CA 2.418 64.592 62.300 -0.209 0.000 1.036 635 V CB -1.225 30.626 31.823 0.047 0.000 0.654 635 V HN 0.494 nan 8.190 nan 0.000 0.451 636 T N -0.068 114.437 114.554 -0.083 0.000 2.684 636 T HA -0.197 4.148 4.350 -0.009 0.000 0.267 636 T C 2.138 176.782 174.700 -0.093 0.000 1.036 636 T CA 2.025 64.086 62.100 -0.065 0.000 1.148 636 T CB -0.260 68.651 68.868 0.073 0.000 0.863 636 T HN 0.537 nan 8.240 nan 0.000 0.436 637 S N 1.046 116.722 115.700 -0.039 0.000 2.368 637 S HA -0.005 4.459 4.470 -0.009 0.000 0.224 637 S C 2.138 176.652 174.600 -0.144 0.000 1.029 637 S CA 0.886 59.083 58.200 -0.004 0.000 0.988 637 S CB -0.268 62.982 63.200 0.083 0.000 0.838 637 S HN 0.308 nan 8.310 nan 0.000 0.462 638 M N 1.033 120.462 119.600 -0.284 0.000 2.159 638 M HA -0.033 4.441 4.480 -0.009 0.000 0.263 638 M C 2.211 178.349 176.300 -0.269 0.000 1.063 638 M CA 1.080 56.190 55.300 -0.316 0.000 1.110 638 M CB -1.450 30.852 32.600 -0.497 0.000 1.374 638 M HN 0.175 nan 8.290 nan 0.000 0.411 639 V N 0.598 120.342 119.914 -0.283 0.000 2.307 639 V HA -0.238 3.876 4.120 -0.009 0.000 0.245 639 V C 2.510 178.402 176.094 -0.337 0.000 1.045 639 V CA 1.397 63.520 62.300 -0.294 0.000 1.024 639 V CB -0.633 30.933 31.823 -0.428 0.000 0.651 639 V HN 0.404 nan 8.190 nan 0.000 0.449 640 L N 0.410 121.374 121.223 -0.433 0.000 2.191 640 L HA -0.061 4.274 4.340 -0.009 0.000 0.212 640 L C 2.173 178.500 176.870 -0.905 0.000 1.103 640 L CA 1.450 55.940 54.840 -0.583 0.000 0.769 640 L CB -0.707 40.971 42.059 -0.635 0.000 0.908 640 L HN 0.492 nan 8.230 nan 0.000 0.438 641 G N -1.395 106.905 108.800 -0.835 0.000 3.284 641 G HA2 -0.029 3.926 3.960 -0.009 0.000 0.236 641 G HA3 -0.029 3.926 3.960 -0.009 0.000 0.236 641 G C 1.472 176.211 174.900 -0.268 0.000 1.158 641 G CA 0.556 45.270 45.100 -0.643 0.000 0.774 641 G HN 0.420 nan 8.290 nan 0.000 0.545 642 S N -0.622 114.942 115.700 -0.228 0.000 2.470 642 S HA 0.290 4.754 4.470 -0.009 0.000 0.225 642 S C 1.945 176.499 174.600 -0.077 0.000 1.006 642 S CA 1.041 59.172 58.200 -0.116 0.000 0.934 642 S CB -0.128 63.023 63.200 -0.082 0.000 0.778 642 S HN 1.362 nan 8.310 nan 0.000 0.517 643 G N 1.409 110.153 108.800 -0.092 0.000 2.147 643 G HA2 -0.328 3.626 3.960 -0.009 0.000 0.244 643 G HA3 -0.328 3.626 3.960 -0.009 0.000 0.244 643 G C 0.909 175.798 174.900 -0.019 0.000 1.005 643 G CA 0.890 45.959 45.100 -0.051 0.000 0.713 643 G HN 1.279 nan 8.290 nan 0.000 0.515 644 S N -0.759 114.943 115.700 0.002 0.000 2.453 644 S HA 0.306 4.770 4.470 -0.009 0.000 0.231 644 S C 2.517 177.124 174.600 0.011 0.000 1.005 644 S CA 1.559 59.772 58.200 0.021 0.000 0.949 644 S CB -0.207 63.036 63.200 0.071 0.000 0.774 644 S HN 2.392 nan 8.310 nan 0.000 0.510 645 G N 0.118 108.931 108.800 0.021 0.000 2.168 645 G HA2 -0.290 3.664 3.960 -0.009 0.000 0.263 645 G HA3 -0.290 3.664 3.960 -0.009 0.000 0.263 645 G C 0.729 175.614 174.900 -0.025 0.000 0.977 645 G CA 0.448 45.551 45.100 0.005 0.000 0.659 645 G HN 0.678 nan 8.290 nan 0.000 0.533 646 V N -0.666 119.220 119.914 -0.047 0.000 2.535 646 V HA 0.276 4.390 4.120 -0.009 0.000 0.246 646 V C 1.174 177.015 176.094 -0.422 0.000 1.045 646 V CA 1.424 63.559 62.300 -0.276 0.000 1.058 646 V CB -0.330 31.224 31.823 -0.448 0.000 0.689 646 V HN 0.296 nan 8.190 nan 0.000 0.461 647 F N 0.034 119.999 119.950 0.024 0.000 2.420 647 F HA 0.415 4.937 4.527 -0.009 0.000 0.342 647 F C 1.088 176.932 175.800 0.072 0.000 1.113 647 F CA -0.659 57.382 58.000 0.069 0.000 1.059 647 F CB 1.365 40.409 39.000 0.073 0.000 1.128 647 F HN -0.241 nan 8.300 nan 0.000 0.475 648 K N 1.595 122.151 120.400 0.260 0.000 2.137 648 K HA 0.101 4.416 4.320 -0.009 0.000 0.202 648 K C -0.103 176.623 176.600 0.210 0.000 1.052 648 K CA 0.927 57.332 56.287 0.196 0.000 0.961 648 K CB 0.248 32.862 32.500 0.190 0.000 0.741 648 K HN 0.810 nan 8.250 nan 0.000 0.452 649 c N -2.773 115.989 118.600 0.270 0.000 3.318 649 c HA 0.901 5.466 4.570 -0.009 0.000 0.322 649 c C -0.238 174.079 174.090 0.378 0.000 1.398 649 c CA -0.620 55.890 56.329 0.301 0.000 1.339 649 c CB 1.114 43.717 42.510 0.156 0.000 1.668 649 c HN 0.346 nan 8.230 nan 0.000 0.462 650 G N -0.033 109.061 108.800 0.491 0.000 2.673 650 G HA2 0.710 4.664 3.960 -0.009 0.000 0.292 650 G HA3 0.710 4.664 3.960 -0.009 0.000 0.292 650 G C -2.011 173.125 174.900 0.392 0.000 1.450 650 G CA -0.688 44.670 45.100 0.430 0.000 0.837 650 G HN 1.003 nan 8.290 nan 0.000 0.505 651 I N 0.742 121.508 120.570 0.327 0.000 2.466 651 I HA 0.610 4.774 4.170 -0.009 0.000 0.289 651 I C 0.132 176.374 176.117 0.208 0.000 1.026 651 I CA -0.972 60.400 61.300 0.119 0.000 1.078 651 I CB 2.254 40.305 38.000 0.085 0.000 1.249 651 I HN 0.655 nan 8.210 nan 0.000 0.429 652 A N 6.583 129.423 122.820 0.033 0.000 2.273 652 A HA 0.771 5.086 4.320 -0.009 0.000 0.315 652 A C -0.716 176.784 177.584 -0.140 0.000 1.256 652 A CA -0.506 51.557 52.037 0.043 0.000 0.851 652 A CB 1.053 20.148 19.000 0.160 0.000 1.172 652 A HN 0.442 nan 8.150 nan 0.000 0.508 653 V N 2.123 121.903 119.914 -0.223 0.000 2.398 653 V HA 0.568 4.682 4.120 -0.009 0.000 0.286 653 V C 1.003 176.689 176.094 -0.679 0.000 1.026 653 V CA 0.321 62.263 62.300 -0.597 0.000 0.868 653 V CB 0.849 32.003 31.823 -1.114 0.000 0.982 653 V HN 2.070 nan 8.190 nan 0.000 0.443 654 A N 5.430 127.815 122.820 -0.725 0.000 2.511 654 A HA -0.108 4.207 4.320 -0.009 0.000 0.297 654 A C -1.625 175.791 177.584 -0.280 0.000 1.476 654 A CA 0.514 52.049 52.037 -0.837 0.000 0.757 654 A CB -1.604 17.066 19.000 -0.551 0.000 1.072 654 A HN 0.638 nan 8.150 nan 0.000 0.413 655 P HA 0.417 nan 4.420 nan 0.000 0.277 655 P C 0.132 177.385 177.300 -0.078 0.000 1.240 655 P CA -0.165 62.899 63.100 -0.061 0.000 0.798 655 P CB 1.355 33.049 31.700 -0.010 0.000 0.979 656 V N 2.338 122.118 119.914 -0.225 0.000 2.649 656 V HA 0.093 4.208 4.120 -0.009 0.000 0.292 656 V C 1.728 177.625 176.094 -0.329 0.000 1.055 656 V CA 0.824 62.854 62.300 -0.450 0.000 1.023 656 V CB 0.881 32.053 31.823 -1.085 0.000 0.992 656 V HN 0.831 nan 8.190 nan 0.000 0.480 657 S N 3.796 119.340 115.700 -0.261 0.000 2.554 657 S HA 0.261 4.725 4.470 -0.009 0.000 0.227 657 S C 0.415 174.848 174.600 -0.277 0.000 1.050 657 S CA -0.380 57.736 58.200 -0.141 0.000 0.927 657 S CB 0.322 63.506 63.200 -0.026 0.000 0.859 657 S HN 0.859 nan 8.310 nan 0.000 0.494 658 R N -1.340 118.860 120.500 -0.501 0.000 2.563 658 R HA 0.425 4.760 4.340 -0.009 0.000 0.262 658 R C -0.944 175.006 176.300 -0.583 0.000 1.128 658 R CA -0.896 54.857 56.100 -0.579 0.000 0.969 658 R CB -0.347 29.603 30.300 -0.584 0.000 1.251 658 R HN 0.115 nan 8.270 nan 0.000 0.442 659 W N 1.468 122.678 121.300 -0.149 0.000 2.364 659 W HA -0.067 4.588 4.660 -0.009 0.000 0.281 659 W C 1.102 177.754 176.519 0.221 0.000 1.219 659 W CA 1.102 58.463 57.345 0.026 0.000 1.220 659 W CB 0.145 29.563 29.460 -0.070 0.000 1.127 659 W HN 0.714 nan 8.180 nan 0.000 0.556 660 E N -0.982 119.387 120.200 0.281 0.000 2.409 660 E HA -0.185 4.159 4.350 -0.009 0.000 0.198 660 E C 1.247 177.990 176.600 0.237 0.000 1.024 660 E CA 0.711 57.215 56.400 0.173 0.000 0.861 660 E CB -0.231 29.461 29.700 -0.013 0.000 0.788 660 E HN 0.383 nan 8.360 nan 0.000 0.521 661 Y N -1.424 118.961 120.300 0.142 0.000 2.510 661 Y HA 0.063 4.608 4.550 -0.009 0.000 0.273 661 Y C 0.786 176.776 175.900 0.149 0.000 1.119 661 Y CA -0.343 57.810 58.100 0.089 0.000 1.286 661 Y CB -0.358 38.100 38.460 -0.003 0.000 1.061 661 Y HN 0.019 nan 8.280 nan 0.000 0.542 662 Y N 1.961 122.410 120.300 0.248 0.000 2.408 662 Y HA 0.284 4.828 4.550 -0.009 0.000 0.324 662 Y C 0.303 176.426 175.900 0.371 0.000 1.302 662 Y CA -2.046 56.211 58.100 0.261 0.000 1.384 662 Y CB 0.306 38.947 38.460 0.302 0.000 1.367 662 Y HN 0.183 nan 8.280 nan 0.000 0.525 663 D N -0.503 119.594 120.400 -0.506 0.000 2.382 663 D HA 0.083 4.718 4.640 -0.009 0.000 0.240 663 D C 0.968 177.244 176.300 -0.040 0.000 1.146 663 D CA 0.404 54.188 54.000 -0.360 0.000 0.897 663 D CB 0.869 41.225 40.800 -0.740 0.000 1.197 663 D HN 0.491 nan 8.370 nan 0.000 0.432 664 S N 1.295 116.986 115.700 -0.015 0.000 2.353 664 S HA -0.235 4.229 4.470 -0.009 0.000 0.222 664 S C 1.945 176.575 174.600 0.049 0.000 1.035 664 S CA 1.224 59.468 58.200 0.072 0.000 1.025 664 S CB -1.059 62.191 63.200 0.083 0.000 0.902 664 S HN 0.432 nan 8.310 nan 0.000 0.440 665 V N 0.852 120.731 119.914 -0.058 0.000 2.282 665 V HA -0.193 3.921 4.120 -0.009 0.000 0.249 665 V C 2.313 178.327 176.094 -0.132 0.000 1.057 665 V CA 2.334 64.511 62.300 -0.205 0.000 1.032 665 V CB -1.083 30.463 31.823 -0.462 0.000 0.645 665 V HN 0.624 nan 8.190 nan 0.000 0.447 666 Y N 1.199 121.450 120.300 -0.082 0.000 2.153 666 Y HA -0.189 4.355 4.550 -0.009 0.000 0.289 666 Y C 2.743 178.668 175.900 0.041 0.000 1.119 666 Y CA 2.217 60.350 58.100 0.055 0.000 1.116 666 Y CB -0.601 38.087 38.460 0.379 0.000 1.004 666 Y HN 0.212 nan 8.280 nan 0.000 0.501 667 T N 0.461 115.256 114.554 0.401 0.000 2.652 667 T HA -0.226 4.119 4.350 -0.009 0.000 0.267 667 T C 1.573 176.250 174.700 -0.038 0.000 1.039 667 T CA 2.041 64.287 62.100 0.244 0.000 1.153 667 T CB -0.361 68.809 68.868 0.502 0.000 0.863 667 T HN 0.436 nan 8.240 nan 0.000 0.428 668 E N 0.429 120.636 120.200 0.011 0.000 2.204 668 E HA -0.088 4.256 4.350 -0.009 0.000 0.194 668 E C 2.355 178.832 176.600 -0.206 0.000 0.989 668 E CA 0.469 56.863 56.400 -0.010 0.000 0.824 668 E CB -0.123 29.617 29.700 0.067 0.000 0.756 668 E HN 0.321 nan 8.360 nan 0.000 0.477 669 R N -0.084 120.133 120.500 -0.472 0.000 2.105 669 R HA -0.194 4.141 4.340 -0.009 0.000 0.239 669 R C 1.141 176.887 176.300 -0.924 0.000 1.135 669 R CA 1.601 57.224 56.100 -0.794 0.000 0.967 669 R CB 0.031 29.530 30.300 -1.334 0.000 0.861 669 R HN 0.255 nan 8.270 nan 0.000 0.442 670 Y N -2.682 117.312 120.300 -0.509 0.000 2.498 670 Y HA 0.235 4.779 4.550 -0.009 0.000 0.259 670 Y C 1.636 177.352 175.900 -0.306 0.000 1.086 670 Y CA -0.100 57.710 58.100 -0.483 0.000 1.287 670 Y CB 0.430 38.475 38.460 -0.692 0.000 1.146 670 Y HN -0.060 nan 8.280 nan 0.000 0.523 671 M N -0.234 119.253 119.600 -0.189 0.000 2.337 671 M HA 0.372 4.846 4.480 -0.009 0.000 0.256 671 M C 1.076 177.386 176.300 0.017 0.000 1.075 671 M CA 0.815 55.999 55.300 -0.192 0.000 1.024 671 M CB -0.311 31.976 32.600 -0.522 0.000 1.429 671 M HN 0.359 nan 8.290 nan 0.000 0.497 672 G N 1.828 110.657 108.800 0.048 0.000 2.645 672 G HA2 -0.220 3.734 3.960 -0.009 0.000 0.239 672 G HA3 -0.220 3.734 3.960 -0.009 0.000 0.239 672 G C -0.811 174.229 174.900 0.232 0.000 1.331 672 G CA -0.788 44.380 45.100 0.114 0.000 0.890 672 G HN 0.264 nan 8.290 nan 0.000 0.572 673 L N 2.154 123.484 121.223 0.177 0.000 2.343 673 L HA 0.525 4.860 4.340 -0.009 0.000 0.275 673 L C -1.397 175.490 176.870 0.027 0.000 1.056 673 L CA -1.637 53.263 54.840 0.100 0.000 0.804 673 L CB 1.506 43.584 42.059 0.032 0.000 1.203 673 L HN 0.431 nan 8.230 nan 0.000 0.440 674 P HA 0.090 nan 4.420 nan 0.000 0.218 674 P C -0.679 176.492 177.300 -0.216 0.000 1.793 674 P CA -0.166 62.566 63.100 -0.613 0.000 0.941 674 P CB -0.436 30.567 31.700 -1.161 0.000 1.919 675 T N -3.051 111.461 114.554 -0.071 0.000 2.908 675 T HA 0.465 4.809 4.350 -0.009 0.000 0.290 675 T C -2.258 172.447 174.700 0.009 0.000 1.034 675 T CA -2.527 59.555 62.100 -0.030 0.000 1.010 675 T CB 1.916 70.774 68.868 -0.016 0.000 1.068 675 T HN -0.296 nan 8.240 nan 0.000 0.481 676 P HA -0.089 nan 4.420 nan 0.000 0.216 676 P C 0.934 178.250 177.300 0.028 0.000 1.150 676 P CA 1.098 64.211 63.100 0.022 0.000 0.843 676 P CB 0.067 31.775 31.700 0.014 0.000 0.787 677 E N -1.454 118.759 120.200 0.021 0.000 2.274 677 E HA -0.095 4.249 4.350 -0.009 0.000 0.194 677 E C 1.420 178.038 176.600 0.031 0.000 0.996 677 E CA 0.825 57.237 56.400 0.021 0.000 0.840 677 E CB -0.432 29.276 29.700 0.013 0.000 0.772 677 E HN 0.318 nan 8.360 nan 0.000 0.491 678 D N -0.412 120.014 120.400 0.043 0.000 2.818 678 D HA 0.091 4.725 4.640 -0.009 0.000 0.250 678 D C 0.324 176.682 176.300 0.096 0.000 1.496 678 D CA 0.190 54.227 54.000 0.062 0.000 1.192 678 D CB -0.031 40.809 40.800 0.067 0.000 0.963 678 D HN 0.018 nan 8.370 nan 0.000 0.259 679 N N -0.035 118.759 118.700 0.157 0.000 2.299 679 N HA 0.046 4.780 4.740 -0.009 0.000 0.246 679 N C 1.251 176.969 175.510 0.347 0.000 1.254 679 N CA -0.124 53.065 53.050 0.232 0.000 0.879 679 N CB 0.816 39.456 38.487 0.254 0.000 1.214 679 N HN -0.006 nan 8.380 nan 0.000 0.510 680 L N 1.229 122.580 121.223 0.214 0.000 2.043 680 L HA -0.181 4.154 4.340 -0.009 0.000 0.212 680 L C 1.438 178.428 176.870 0.199 0.000 1.075 680 L CA 2.024 56.966 54.840 0.170 0.000 0.752 680 L CB -0.421 41.668 42.059 0.050 0.000 0.891 680 L HN 0.168 nan 8.230 nan 0.000 0.432 681 D N -1.549 118.944 120.400 0.156 0.000 2.123 681 D HA -0.254 4.380 4.640 -0.009 0.000 0.196 681 D C 2.064 178.460 176.300 0.160 0.000 0.992 681 D CA 1.738 55.817 54.000 0.131 0.000 0.833 681 D CB -0.187 40.675 40.800 0.104 0.000 0.954 681 D HN 0.589 nan 8.370 nan 0.000 0.455 682 H N -0.933 118.198 119.070 0.102 0.000 2.470 682 H HA -0.043 4.508 4.556 -0.009 0.000 0.289 682 H C 1.675 177.056 175.328 0.089 0.000 1.033 682 H CA 1.077 57.160 56.048 0.058 0.000 1.331 682 H CB -0.252 29.508 29.762 -0.004 0.000 1.414 682 H HN 0.125 nan 8.280 nan 0.000 0.545 683 Y N 0.378 120.672 120.300 -0.010 0.000 2.128 683 Y HA -0.171 4.373 4.550 -0.010 0.000 0.284 683 Y C 2.306 178.170 175.900 -0.060 0.000 1.154 683 Y CA 1.511 59.605 58.100 -0.011 0.000 1.149 683 Y CB 0.136 38.621 38.460 0.042 0.000 0.976 683 Y HN 0.121 nan 8.280 nan 0.000 0.505 684 R N -0.314 120.261 120.500 0.124 0.000 2.193 684 R HA -0.053 4.282 4.340 -0.009 0.000 0.213 684 R C 1.247 177.543 176.300 -0.008 0.000 1.055 684 R CA 0.821 56.946 56.100 0.042 0.000 0.995 684 R CB -0.727 29.600 30.300 0.044 0.000 0.893 684 R HN 0.352 nan 8.270 nan 0.000 0.459 685 N N 0.018 118.693 118.700 -0.043 0.000 2.422 685 N HA -0.050 4.684 4.740 -0.009 0.000 0.181 685 N C 0.300 175.747 175.510 -0.105 0.000 1.080 685 N CA 0.506 53.525 53.050 -0.052 0.000 0.893 685 N CB 0.371 38.863 38.487 0.009 0.000 0.973 685 N HN 0.098 nan 8.380 nan 0.000 0.456 686 S N -1.145 114.445 115.700 -0.183 0.000 2.537 686 S HA 0.146 4.610 4.470 -0.009 0.000 0.246 686 S C 0.390 175.021 174.600 0.051 0.000 1.036 686 S CA -0.760 57.392 58.200 -0.081 0.000 1.041 686 S CB -0.605 62.495 63.200 -0.167 0.000 0.799 686 S HN 0.169 nan 8.310 nan 0.000 0.456 687 T N -1.822 112.724 114.554 -0.012 0.000 2.922 687 T HA 0.537 4.881 4.350 -0.009 0.000 0.285 687 T C 1.252 175.941 174.700 -0.018 0.000 1.005 687 T CA -0.657 61.424 62.100 -0.031 0.000 1.061 687 T CB 1.378 70.198 68.868 -0.081 0.000 1.007 687 T HN -0.039 nan 8.240 nan 0.000 0.502 688 V N 2.343 122.243 119.914 -0.024 0.000 2.379 688 V HA -0.128 3.986 4.120 -0.009 0.000 0.245 688 V C 2.750 178.809 176.094 -0.059 0.000 1.044 688 V CA 1.533 63.810 62.300 -0.038 0.000 1.036 688 V CB -0.819 30.974 31.823 -0.050 0.000 0.664 688 V HN 0.869 nan 8.190 nan 0.000 0.453 689 M N 1.309 120.857 119.600 -0.085 0.000 2.202 689 M HA -0.139 4.336 4.480 -0.009 0.000 0.262 689 M C 2.345 178.611 176.300 -0.057 0.000 1.063 689 M CA 2.264 57.506 55.300 -0.098 0.000 1.097 689 M CB -2.077 30.477 32.600 -0.076 0.000 1.382 689 M HN 0.578 nan 8.290 nan 0.000 0.413 690 S N 0.593 116.273 115.700 -0.034 0.000 2.474 690 S HA -0.053 4.411 4.470 -0.009 0.000 0.235 690 S C 1.795 176.397 174.600 0.004 0.000 0.997 690 S CA 0.576 58.767 58.200 -0.015 0.000 0.949 690 S CB -0.462 62.730 63.200 -0.014 0.000 0.766 690 S HN 0.616 nan 8.310 nan 0.000 0.517 691 R N 0.468 120.982 120.500 0.025 0.000 2.393 691 R HA 0.458 4.792 4.340 -0.009 0.000 0.244 691 R C 2.225 178.630 176.300 0.174 0.000 0.920 691 R CA 0.417 56.562 56.100 0.075 0.000 1.076 691 R CB -0.264 30.082 30.300 0.077 0.000 1.119 691 R HN 0.465 nan 8.270 nan 0.000 0.524 692 A N 1.735 124.600 122.820 0.075 0.000 1.915 692 A HA -0.328 3.987 4.320 -0.009 0.000 0.220 692 A C 2.047 179.715 177.584 0.141 0.000 1.198 692 A CA 2.130 54.181 52.037 0.023 0.000 0.647 692 A CB -0.367 18.578 19.000 -0.092 0.000 0.825 692 A HN 0.314 nan 8.150 nan 0.000 0.456 693 E N 0.441 120.695 120.200 0.090 0.000 2.097 693 E HA -0.210 4.135 4.350 -0.009 0.000 0.196 693 E C 1.671 178.331 176.600 0.100 0.000 1.000 693 E CA 1.992 58.440 56.400 0.081 0.000 0.804 693 E CB -0.571 29.157 29.700 0.047 0.000 0.740 693 E HN 0.796 nan 8.360 nan 0.000 0.454 694 N N -1.184 117.570 118.700 0.091 0.000 2.453 694 N HA -0.111 4.624 4.740 -0.009 0.000 0.183 694 N C 0.823 176.315 175.510 -0.030 0.000 1.041 694 N CA 0.326 53.381 53.050 0.009 0.000 0.900 694 N CB -0.158 38.289 38.487 -0.067 0.000 0.961 694 N HN 0.157 nan 8.380 nan 0.000 0.443 695 F N 1.528 121.436 119.950 -0.070 0.000 2.604 695 F HA 0.019 4.540 4.527 -0.009 0.000 0.298 695 F C 1.876 177.681 175.800 0.008 0.000 1.131 695 F CA 0.682 58.638 58.000 -0.073 0.000 1.457 695 F CB 0.010 38.920 39.000 -0.149 0.000 1.095 695 F HN -0.089 nan 8.300 nan 0.000 0.574 696 K N -0.344 120.154 120.400 0.162 0.000 2.280 696 K HA -0.148 4.166 4.320 -0.009 0.000 0.202 696 K C 1.541 178.199 176.600 0.095 0.000 1.047 696 K CA 0.765 57.129 56.287 0.128 0.000 0.942 696 K CB -0.090 32.466 32.500 0.093 0.000 0.739 696 K HN 0.235 nan 8.250 nan 0.000 0.457 697 Q N 0.224 120.059 119.800 0.057 0.000 2.360 697 Q HA 0.043 4.377 4.340 -0.009 0.000 0.202 697 Q C 0.530 176.562 176.000 0.053 0.000 0.915 697 Q CA 0.281 56.108 55.803 0.041 0.000 0.943 697 Q CB 0.591 29.335 28.738 0.009 0.000 1.064 697 Q HN 0.204 nan 8.270 nan 0.000 0.511 698 V N -3.341 116.618 119.914 0.076 0.000 3.160 698 V HA 0.533 4.647 4.120 -0.009 0.000 0.310 698 V C -0.909 175.318 176.094 0.221 0.000 1.181 698 V CA -1.251 61.119 62.300 0.117 0.000 1.047 698 V CB 2.409 34.260 31.823 0.046 0.000 1.068 698 V HN -0.058 nan 8.190 nan 0.000 0.441 699 E N 1.402 121.765 120.200 0.271 0.000 2.115 699 E HA 0.442 4.787 4.350 -0.009 0.000 0.282 699 E C -1.895 175.067 176.600 0.603 0.000 0.987 699 E CA -0.349 56.283 56.400 0.387 0.000 0.797 699 E CB 1.750 31.609 29.700 0.266 0.000 1.086 699 E HN 0.678 nan 8.360 nan 0.000 0.397 700 Y N 3.552 124.109 120.300 0.428 0.000 2.393 700 Y HA 0.430 4.975 4.550 -0.009 0.000 0.341 700 Y C -1.457 174.529 175.900 0.143 0.000 0.988 700 Y CA -1.213 57.085 58.100 0.330 0.000 1.078 700 Y CB 1.023 39.721 38.460 0.396 0.000 1.203 700 Y HN 0.425 nan 8.280 nan 0.000 0.453 701 L N 8.170 129.116 121.223 -0.462 0.000 2.343 701 L HA 0.498 4.833 4.340 -0.009 0.000 0.278 701 L C -1.804 174.615 176.870 -0.752 0.000 0.996 701 L CA -0.783 53.640 54.840 -0.696 0.000 0.831 701 L CB 1.192 42.500 42.059 -1.252 0.000 1.232 701 L HN 0.697 nan 8.230 nan 0.000 0.413 702 L N 6.519 127.393 121.223 -0.582 0.000 2.287 702 L HA 0.573 4.908 4.340 -0.009 0.000 0.287 702 L C -0.847 175.900 176.870 -0.204 0.000 1.022 702 L CA -0.475 54.074 54.840 -0.486 0.000 0.814 702 L CB 1.536 43.374 42.059 -0.368 0.000 1.217 702 L HN 0.610 nan 8.230 nan 0.000 0.420 703 I N 3.946 124.404 120.570 -0.187 0.000 2.545 703 I HA 0.491 4.655 4.170 -0.009 0.000 0.292 703 I C -0.892 175.202 176.117 -0.039 0.000 1.040 703 I CA -0.756 60.495 61.300 -0.082 0.000 1.068 703 I CB 2.033 39.953 38.000 -0.134 0.000 1.251 703 I HN 0.519 nan 8.210 nan 0.000 0.424 704 H N 2.767 121.891 119.070 0.091 0.000 3.085 704 H HA 0.396 4.947 4.556 -0.009 0.000 0.356 704 H C -0.799 174.772 175.328 0.405 0.000 1.178 704 H CA -0.583 55.567 56.048 0.170 0.000 1.214 704 H CB 2.474 32.271 29.762 0.058 0.000 1.881 704 H HN 0.760 nan 8.280 nan 0.000 0.538 705 G N 0.997 110.184 108.800 0.644 0.000 2.390 705 G HA2 0.241 4.195 3.960 -0.009 0.000 0.270 705 G HA3 0.241 4.195 3.960 -0.009 0.000 0.270 705 G C 1.105 176.294 174.900 0.481 0.000 1.211 705 G CA 0.202 45.612 45.100 0.516 0.000 0.842 705 G HN 0.651 nan 8.290 nan 0.000 0.519 706 T N -0.626 114.052 114.554 0.207 0.000 2.995 706 T HA 0.077 4.422 4.350 -0.009 0.000 0.269 706 T C 1.692 176.357 174.700 -0.058 0.000 1.091 706 T CA 1.265 63.289 62.100 -0.127 0.000 1.128 706 T CB 0.164 68.878 68.868 -0.257 0.000 0.891 706 T HN 0.678 nan 8.240 nan 0.000 0.492 707 A N 1.035 123.898 122.820 0.071 0.000 2.610 707 A HA 0.310 4.624 4.320 -0.009 0.000 0.286 707 A C 0.395 177.942 177.584 -0.062 0.000 1.306 707 A CA -0.511 51.532 52.037 0.010 0.000 0.942 707 A CB -0.291 18.969 19.000 0.434 0.000 1.112 707 A HN 0.381 nan 8.150 nan 0.000 0.527 708 D N 1.537 121.937 120.400 -0.001 0.000 2.346 708 D HA -0.007 4.627 4.640 -0.009 0.000 0.260 708 D C 0.341 176.642 176.300 0.002 0.000 1.252 708 D CA 0.149 54.262 54.000 0.188 0.000 0.895 708 D CB 0.694 41.776 40.800 0.470 0.000 1.097 708 D HN 0.568 nan 8.370 nan 0.000 0.489 709 D N 2.393 122.849 120.400 0.092 0.000 2.348 709 D HA -0.133 4.502 4.640 -0.009 0.000 0.211 709 D C 0.961 177.285 176.300 0.040 0.000 0.998 709 D CA -0.100 53.904 54.000 0.007 0.000 0.873 709 D CB 0.422 41.173 40.800 -0.082 0.000 0.925 709 D HN 0.209 nan 8.370 nan 0.000 0.524 710 N N 0.965 119.794 118.700 0.215 0.000 2.272 710 N HA -0.053 4.681 4.740 -0.009 0.000 0.195 710 N C -0.028 175.495 175.510 0.022 0.000 1.048 710 N CA 0.564 53.779 53.050 0.276 0.000 0.912 710 N CB 0.196 38.809 38.487 0.211 0.000 1.096 710 N HN -0.109 nan 8.380 nan 0.000 0.471 711 V N 2.887 122.842 119.914 0.069 0.000 2.320 711 V HA 0.196 4.310 4.120 -0.009 0.000 0.265 711 V C -0.445 175.749 176.094 0.166 0.000 1.048 711 V CA -0.399 61.953 62.300 0.087 0.000 0.865 711 V CB -0.419 31.492 31.823 0.146 0.000 1.043 711 V HN 0.310 nan 8.190 nan 0.000 0.474 712 H N 3.281 122.356 119.070 0.009 0.000 2.871 712 H HA -0.009 4.542 4.556 -0.009 0.000 0.355 712 H C 0.785 175.959 175.328 -0.257 0.000 1.092 712 H CA -0.132 55.829 56.048 -0.145 0.000 1.420 712 H CB 0.795 30.388 29.762 -0.281 0.000 1.400 712 H HN 0.623 nan 8.280 nan 0.000 0.604 713 F N 1.963 121.676 119.950 -0.396 0.000 2.192 713 F HA -0.292 4.229 4.527 -0.009 0.000 0.301 713 F C 2.585 178.113 175.800 -0.454 0.000 1.079 713 F CA 1.722 59.273 58.000 -0.749 0.000 1.303 713 F CB -0.184 38.569 39.000 -0.412 0.000 1.024 713 F HN 0.660 nan 8.300 nan 0.000 0.494 714 Q N 0.159 119.828 119.800 -0.219 0.000 2.133 714 Q HA -0.309 4.026 4.340 -0.009 0.000 0.208 714 Q C 2.057 177.839 176.000 -0.364 0.000 0.991 714 Q CA 2.231 57.861 55.803 -0.288 0.000 0.867 714 Q CB -0.343 28.192 28.738 -0.339 0.000 0.911 714 Q HN 0.579 nan 8.270 nan 0.000 0.417 715 Q N -0.284 119.348 119.800 -0.279 0.000 2.096 715 Q HA -0.126 4.208 4.340 -0.009 0.000 0.204 715 Q C 2.247 178.169 176.000 -0.130 0.000 0.982 715 Q CA 1.762 57.516 55.803 -0.083 0.000 0.850 715 Q CB -0.115 28.646 28.738 0.037 0.000 0.901 715 Q HN 0.338 nan 8.270 nan 0.000 0.422 716 S N 0.621 116.149 115.700 -0.286 0.000 2.414 716 S HA 0.010 4.474 4.470 -0.009 0.000 0.227 716 S C 2.031 176.412 174.600 -0.364 0.000 1.022 716 S CA 0.675 58.699 58.200 -0.294 0.000 0.958 716 S CB -0.065 62.943 63.200 -0.320 0.000 0.797 716 S HN 0.464 nan 8.310 nan 0.000 0.493 717 A N 1.371 123.893 122.820 -0.497 0.000 1.972 717 A HA -0.134 4.181 4.320 -0.009 0.000 0.219 717 A C 2.117 179.616 177.584 -0.141 0.000 1.169 717 A CA 1.151 53.021 52.037 -0.279 0.000 0.635 717 A CB -0.373 18.517 19.000 -0.183 0.000 0.810 717 A HN 0.359 nan 8.150 nan 0.000 0.446 718 Q N -0.575 119.149 119.800 -0.126 0.000 2.187 718 Q HA 0.042 4.376 4.340 -0.009 0.000 0.199 718 Q C 2.108 178.063 176.000 -0.076 0.000 0.957 718 Q CA 0.848 56.625 55.803 -0.044 0.000 0.857 718 Q CB -0.269 28.520 28.738 0.084 0.000 0.929 718 Q HN 0.774 nan 8.270 nan 0.000 0.453 719 I N 1.181 121.679 120.570 -0.120 0.000 2.142 719 I HA -0.288 3.876 4.170 -0.009 0.000 0.240 719 I C 2.566 178.517 176.117 -0.277 0.000 1.078 719 I CA 1.507 62.687 61.300 -0.200 0.000 1.343 719 I CB -0.439 37.449 38.000 -0.187 0.000 1.046 719 I HN 0.190 nan 8.210 nan 0.000 0.405 720 S N 0.939 116.505 115.700 -0.225 0.000 2.370 720 S HA -0.304 4.161 4.470 -0.009 0.000 0.226 720 S C 2.042 176.612 174.600 -0.050 0.000 1.033 720 S CA 1.655 59.754 58.200 -0.168 0.000 1.011 720 S CB -0.505 62.770 63.200 0.125 0.000 0.852 720 S HN 0.373 nan 8.310 nan 0.000 0.457 721 K N 1.637 122.016 120.400 -0.035 0.000 2.097 721 K HA 0.034 4.349 4.320 -0.009 0.000 0.206 721 K C 2.235 178.815 176.600 -0.032 0.000 1.049 721 K CA 1.147 57.430 56.287 -0.006 0.000 0.933 721 K CB -0.647 31.848 32.500 -0.008 0.000 0.717 721 K HN 0.477 nan 8.250 nan 0.000 0.442 722 A N 0.809 123.578 122.820 -0.086 0.000 1.969 722 A HA -0.054 4.261 4.320 -0.009 0.000 0.218 722 A C 2.033 179.546 177.584 -0.118 0.000 1.169 722 A CA 1.016 52.995 52.037 -0.096 0.000 0.635 722 A CB -0.435 18.489 19.000 -0.127 0.000 0.810 722 A HN 0.301 nan 8.150 nan 0.000 0.445 723 L N -0.704 120.398 121.223 -0.202 0.000 2.072 723 L HA -0.122 4.212 4.340 -0.009 0.000 0.205 723 L C 2.503 179.386 176.870 0.023 0.000 1.079 723 L CA 0.868 55.591 54.840 -0.196 0.000 0.752 723 L CB -0.524 41.216 42.059 -0.532 0.000 0.906 723 L HN 0.230 nan 8.230 nan 0.000 0.436 724 V N -0.180 119.789 119.914 0.091 0.000 2.343 724 V HA -0.285 3.830 4.120 -0.009 0.000 0.247 724 V C 1.958 178.092 176.094 0.068 0.000 1.051 724 V CA 1.843 64.223 62.300 0.133 0.000 1.036 724 V CB -0.509 31.393 31.823 0.132 0.000 0.654 724 V HN 0.433 nan 8.190 nan 0.000 0.451 725 D N -0.537 119.884 120.400 0.034 0.000 2.309 725 D HA -0.088 4.546 4.640 -0.009 0.000 0.212 725 D C 1.710 178.024 176.300 0.023 0.000 0.968 725 D CA 0.882 54.896 54.000 0.023 0.000 0.882 725 D CB 0.172 40.977 40.800 0.008 0.000 0.918 725 D HN 0.352 nan 8.370 nan 0.000 0.503 726 V N -0.575 119.354 119.914 0.024 0.000 3.578 726 V HA 0.217 4.331 4.120 -0.009 0.000 0.290 726 V C 1.157 177.281 176.094 0.050 0.000 1.376 726 V CA 0.695 63.013 62.300 0.030 0.000 1.083 726 V CB 0.304 32.138 31.823 0.018 0.000 0.911 726 V HN 0.332 nan 8.190 nan 0.000 0.433 727 G N 0.906 109.745 108.800 0.065 0.000 2.225 727 G HA2 -0.194 3.760 3.960 -0.009 0.000 0.264 727 G HA3 -0.194 3.760 3.960 -0.009 0.000 0.264 727 G C -0.005 174.959 174.900 0.107 0.000 1.060 727 G CA 0.343 45.491 45.100 0.079 0.000 0.833 727 G HN 0.432 nan 8.290 nan 0.000 0.498 728 V N 0.536 120.534 119.914 0.141 0.000 2.370 728 V HA 0.456 4.570 4.120 -0.009 0.000 0.279 728 V C 0.383 176.666 176.094 0.316 0.000 1.029 728 V CA -0.474 61.942 62.300 0.193 0.000 0.870 728 V CB 1.715 33.637 31.823 0.164 0.000 0.984 728 V HN 0.457 nan 8.190 nan 0.000 0.451 729 D N 4.264 124.822 120.400 0.264 0.000 2.302 729 D HA 0.581 5.215 4.640 -0.009 0.000 0.248 729 D C -0.559 175.979 176.300 0.396 0.000 1.094 729 D CA 0.130 54.275 54.000 0.241 0.000 0.897 729 D CB 0.760 41.634 40.800 0.123 0.000 1.200 729 D HN 0.340 nan 8.370 nan 0.000 0.429 730 F N -0.287 119.741 119.950 0.129 0.000 2.831 730 F HA 0.482 5.004 4.527 -0.009 0.000 0.318 730 F C -1.439 174.419 175.800 0.098 0.000 1.174 730 F CA -1.118 56.982 58.000 0.167 0.000 0.918 730 F CB 0.747 39.884 39.000 0.228 0.000 1.364 730 F HN 0.125 nan 8.300 nan 0.000 0.475 731 Q N 1.174 121.045 119.800 0.117 0.000 2.266 731 Q HA 0.820 5.154 4.340 -0.009 0.000 0.261 731 Q C -0.944 175.039 176.000 -0.028 0.000 0.985 731 Q CA -0.953 54.826 55.803 -0.039 0.000 0.873 731 Q CB 2.359 31.118 28.738 0.035 0.000 1.306 731 Q HN 1.042 nan 8.270 nan 0.000 0.447 732 A N 1.736 124.512 122.820 -0.074 0.000 2.566 732 A HA 0.865 5.180 4.320 -0.009 0.000 0.292 732 A C -1.395 176.139 177.584 -0.084 0.000 1.112 732 A CA -0.576 51.452 52.037 -0.014 0.000 0.707 732 A CB 2.075 21.125 19.000 0.084 0.000 1.302 732 A HN 0.616 nan 8.150 nan 0.000 0.409 733 M N 1.047 120.590 119.600 -0.095 0.000 2.296 733 M HA 0.537 5.011 4.480 -0.009 0.000 0.268 733 M C -2.034 174.154 176.300 -0.187 0.000 1.048 733 M CA -0.609 54.494 55.300 -0.328 0.000 0.966 733 M CB 0.996 33.328 32.600 -0.447 0.000 1.912 733 M HN 0.981 nan 8.290 nan 0.000 0.484 734 W N 4.256 125.407 121.300 -0.248 0.000 2.509 734 W HA 0.809 5.463 4.660 -0.009 0.000 0.351 734 W C -1.965 174.290 176.519 -0.440 0.000 1.107 734 W CA -0.834 56.447 57.345 -0.105 0.000 1.264 734 W CB 0.464 29.897 29.460 -0.045 0.000 1.312 734 W HN 0.615 nan 8.180 nan 0.000 0.608 735 Y N 2.158 122.612 120.300 0.258 0.000 2.426 735 Y HA 0.285 4.829 4.550 -0.009 0.000 0.325 735 Y C 0.716 176.730 175.900 0.190 0.000 0.989 735 Y CA -1.175 56.985 58.100 0.099 0.000 1.284 735 Y CB 1.351 39.840 38.460 0.048 0.000 1.104 735 Y HN 0.644 nan 8.280 nan 0.000 0.481 736 T N 0.223 114.948 114.554 0.285 0.000 2.902 736 T HA 0.107 4.452 4.350 -0.009 0.000 0.301 736 T C 0.454 175.216 174.700 0.104 0.000 1.012 736 T CA 0.254 62.446 62.100 0.153 0.000 1.151 736 T CB 0.306 69.179 68.868 0.008 0.000 0.946 736 T HN 0.763 nan 8.240 nan 0.000 0.542 737 D N 0.452 120.891 120.400 0.064 0.000 3.046 737 D HA -0.117 4.517 4.640 -0.009 0.000 0.210 737 D C -0.051 176.373 176.300 0.207 0.000 1.124 737 D CA 1.264 55.244 54.000 -0.034 0.000 0.986 737 D CB -0.690 39.885 40.800 -0.375 0.000 1.118 737 D HN 0.736 nan 8.370 nan 0.000 0.416 738 E N 0.921 121.263 120.200 0.236 0.000 2.313 738 E HA 0.323 4.667 4.350 -0.009 0.000 0.272 738 E C 0.764 177.547 176.600 0.306 0.000 1.038 738 E CA -0.277 56.284 56.400 0.267 0.000 0.863 738 E CB 1.228 31.077 29.700 0.250 0.000 1.060 738 E HN 0.341 nan 8.360 nan 0.000 0.402 739 D N -0.066 120.527 120.400 0.322 0.000 2.481 739 D HA -0.018 4.616 4.640 -0.009 0.000 0.283 739 D C 1.133 177.671 176.300 0.396 0.000 1.192 739 D CA -0.098 54.118 54.000 0.360 0.000 1.100 739 D CB -0.260 40.778 40.800 0.396 0.000 1.166 739 D HN 0.434 nan 8.370 nan 0.000 0.584 740 H N -1.502 117.767 119.070 0.333 0.000 2.456 740 H HA 0.091 4.642 4.556 -0.009 0.000 0.296 740 H C 1.923 177.518 175.328 0.446 0.000 1.079 740 H CA 2.188 58.462 56.048 0.376 0.000 1.322 740 H CB -0.410 29.556 29.762 0.340 0.000 1.388 740 H HN 0.475 nan 8.280 nan 0.000 0.538 741 G N -0.217 108.761 108.800 0.297 0.000 2.551 741 G HA2 -0.017 3.937 3.960 -0.009 0.000 0.216 741 G HA3 -0.017 3.937 3.960 -0.009 0.000 0.216 741 G C 0.694 175.762 174.900 0.280 0.000 1.137 741 G CA 0.326 45.522 45.100 0.161 0.000 0.798 741 G HN 0.525 nan 8.290 nan 0.000 0.536 742 I N 0.069 120.822 120.570 0.305 0.000 6.272 742 I HA -0.318 3.847 4.170 -0.009 0.000 0.126 742 I C 1.452 177.690 176.117 0.202 0.000 1.619 742 I CA 0.165 61.596 61.300 0.219 0.000 2.452 742 I CB -1.131 36.980 38.000 0.184 0.000 3.064 742 I HN 0.265 nan 8.210 nan 0.000 0.279 743 A N 1.019 123.937 122.820 0.163 0.000 2.430 743 A HA 0.344 4.658 4.320 -0.009 0.000 0.243 743 A C 1.130 178.762 177.584 0.081 0.000 1.254 743 A CA 0.492 52.593 52.037 0.107 0.000 0.914 743 A CB 0.123 19.151 19.000 0.046 0.000 0.998 743 A HN 0.608 nan 8.150 nan 0.000 0.515 744 S N -0.662 115.102 115.700 0.106 0.000 2.584 744 S HA 0.180 4.644 4.470 -0.009 0.000 0.270 744 S C 1.268 175.923 174.600 0.092 0.000 1.346 744 S CA 0.346 58.601 58.200 0.092 0.000 1.018 744 S CB 1.094 64.355 63.200 0.103 0.000 0.899 744 S HN 0.460 nan 8.310 nan 0.000 0.542 745 S N 1.343 117.084 115.700 0.069 0.000 2.365 745 S HA -0.179 4.286 4.470 -0.009 0.000 0.225 745 S C 2.081 176.744 174.600 0.104 0.000 1.039 745 S CA 2.224 60.467 58.200 0.072 0.000 1.033 745 S CB -1.549 61.676 63.200 0.042 0.000 0.887 745 S HN 1.027 nan 8.310 nan 0.000 0.447 746 T N -0.373 114.234 114.554 0.087 0.000 2.812 746 T HA 0.216 4.560 4.350 -0.009 0.000 0.264 746 T C 1.983 176.746 174.700 0.105 0.000 1.042 746 T CA 1.205 63.359 62.100 0.090 0.000 1.140 746 T CB -0.872 68.038 68.868 0.071 0.000 0.870 746 T HN 0.437 nan 8.240 nan 0.000 0.445 747 A N 1.471 124.338 122.820 0.078 0.000 1.930 747 A HA -0.081 4.233 4.320 -0.009 0.000 0.217 747 A C 2.199 179.754 177.584 -0.049 0.000 1.175 747 A CA 2.001 54.026 52.037 -0.019 0.000 0.627 747 A CB -1.241 17.721 19.000 -0.064 0.000 0.815 747 A HN 0.757 nan 8.150 nan 0.000 0.443 748 H N -0.077 118.986 119.070 -0.012 0.000 2.319 748 H HA -0.144 4.406 4.556 -0.009 0.000 0.299 748 H C 2.097 177.498 175.328 0.121 0.000 1.092 748 H CA 2.373 58.464 56.048 0.072 0.000 1.302 748 H CB -0.239 29.567 29.762 0.073 0.000 1.373 748 H HN 0.572 nan 8.280 nan 0.000 0.497 749 Q N -1.050 118.755 119.800 0.008 0.000 2.124 749 Q HA -0.182 4.152 4.340 -0.009 0.000 0.202 749 Q C 2.188 178.182 176.000 -0.010 0.000 0.977 749 Q CA 1.282 57.052 55.803 -0.055 0.000 0.850 749 Q CB -0.159 28.587 28.738 0.013 0.000 0.901 749 Q HN 0.644 nan 8.270 nan 0.000 0.429 750 H N 0.767 119.816 119.070 -0.035 0.000 2.326 750 H HA -0.052 4.498 4.556 -0.009 0.000 0.301 750 H C 2.035 177.368 175.328 0.007 0.000 1.081 750 H CA 1.238 57.299 56.048 0.022 0.000 1.334 750 H CB 0.008 29.839 29.762 0.115 0.000 1.385 750 H HN 0.275 nan 8.280 nan 0.000 0.504 751 I N 0.147 120.711 120.570 -0.010 0.000 2.226 751 I HA -0.325 3.839 4.170 -0.009 0.000 0.245 751 I C 1.813 177.716 176.117 -0.358 0.000 1.100 751 I CA 1.265 62.465 61.300 -0.166 0.000 1.374 751 I CB -0.289 37.406 38.000 -0.507 0.000 1.057 751 I HN 0.130 nan 8.210 nan 0.000 0.413 752 Y N 1.015 121.114 120.300 -0.335 0.000 2.293 752 Y HA -0.207 4.338 4.550 -0.009 0.000 0.291 752 Y C 2.720 178.427 175.900 -0.323 0.000 1.137 752 Y CA 1.884 59.667 58.100 -0.528 0.000 1.202 752 Y CB -0.861 37.280 38.460 -0.531 0.000 0.990 752 Y HN 0.170 nan 8.280 nan 0.000 0.537 753 T N -1.776 112.715 114.554 -0.105 0.000 2.777 753 T HA -0.212 4.133 4.350 -0.009 0.000 0.266 753 T C 1.560 176.175 174.700 -0.142 0.000 1.040 753 T CA 1.789 63.797 62.100 -0.153 0.000 1.141 753 T CB -0.415 68.359 68.868 -0.156 0.000 0.868 753 T HN 0.403 nan 8.240 nan 0.000 0.444 754 H N 0.810 119.783 119.070 -0.161 0.000 2.353 754 H HA 0.134 4.684 4.556 -0.009 0.000 0.300 754 H C 2.148 177.481 175.328 0.009 0.000 1.090 754 H CA 1.497 57.523 56.048 -0.037 0.000 1.327 754 H CB -0.226 29.502 29.762 -0.057 0.000 1.383 754 H HN 0.247 nan 8.280 nan 0.000 0.508 755 M N -0.921 118.640 119.600 -0.066 0.000 2.229 755 M HA -0.143 4.331 4.480 -0.009 0.000 0.264 755 M C 2.371 178.796 176.300 0.208 0.000 1.063 755 M CA 1.341 56.599 55.300 -0.070 0.000 1.114 755 M CB 0.098 32.413 32.600 -0.474 0.000 1.387 755 M HN 0.193 nan 8.290 nan 0.000 0.420 756 S N -0.652 115.192 115.700 0.241 0.000 2.368 756 S HA -0.149 4.316 4.470 -0.009 0.000 0.225 756 S C 1.697 176.393 174.600 0.160 0.000 1.030 756 S CA 0.981 59.404 58.200 0.371 0.000 0.999 756 S CB -0.525 62.873 63.200 0.329 0.000 0.844 756 S HN 0.466 nan 8.310 nan 0.000 0.459 757 H N -0.125 119.010 119.070 0.109 0.000 2.353 757 H HA -0.034 4.516 4.556 -0.009 0.000 0.300 757 H C 1.980 177.311 175.328 0.005 0.000 1.090 757 H CA 1.305 57.369 56.048 0.026 0.000 1.327 757 H CB -0.742 28.988 29.762 -0.053 0.000 1.383 757 H HN 0.442 nan 8.280 nan 0.000 0.508 758 F N 1.362 121.303 119.950 -0.015 0.000 2.102 758 F HA -0.198 4.323 4.527 -0.009 0.000 0.298 758 F C 2.307 178.060 175.800 -0.078 0.000 1.105 758 F CA 0.987 58.944 58.000 -0.072 0.000 1.239 758 F CB -0.335 38.600 39.000 -0.108 0.000 0.991 758 F HN -0.042 nan 8.300 nan 0.000 0.474 759 I N 0.681 121.247 120.570 -0.007 0.000 2.179 759 I HA -0.276 3.888 4.170 -0.009 0.000 0.242 759 I C 2.249 178.162 176.117 -0.340 0.000 1.088 759 I CA 1.528 62.658 61.300 -0.283 0.000 1.357 759 I CB -1.345 36.581 38.000 -0.123 0.000 1.051 759 I HN 0.226 nan 8.210 nan 0.000 0.409 760 K N 0.262 120.613 120.400 -0.082 0.000 2.097 760 K HA -0.218 4.096 4.320 -0.009 0.000 0.206 760 K C 2.111 178.700 176.600 -0.018 0.000 1.049 760 K CA 1.110 57.404 56.287 0.013 0.000 0.933 760 K CB -0.235 32.320 32.500 0.091 0.000 0.717 760 K HN 0.338 nan 8.250 nan 0.000 0.442 761 Q N 1.242 120.988 119.800 -0.090 0.000 2.079 761 Q HA -0.200 4.134 4.340 -0.009 0.000 0.200 761 Q C 2.234 178.139 176.000 -0.158 0.000 0.974 761 Q CA 1.737 57.474 55.803 -0.110 0.000 0.840 761 Q CB -0.538 28.116 28.738 -0.141 0.000 0.898 761 Q HN 0.415 nan 8.270 nan 0.000 0.430 762 c N 0.173 118.574 118.600 -0.331 0.000 2.435 762 c HA -0.041 4.523 4.570 -0.009 0.000 0.279 762 c C 2.123 176.231 174.090 0.030 0.000 1.321 762 c CA 0.304 56.456 56.329 -0.294 0.000 1.752 762 c CB -1.283 40.878 42.510 -0.582 0.000 1.959 762 c HN 0.526 nan 8.230 nan 0.000 0.500 763 F N 1.330 121.239 119.950 -0.070 0.000 2.765 763 F HA 0.342 4.864 4.527 -0.009 0.000 0.302 763 F C 1.295 177.080 175.800 -0.025 0.000 1.111 763 F CA -0.084 57.897 58.000 -0.031 0.000 1.359 763 F CB -0.743 38.247 39.000 -0.018 0.000 1.097 763 F HN 0.155 nan 8.300 nan 0.000 0.577 764 S N 0.000 115.785 115.700 0.142 0.000 2.498 764 S HA 0.000 4.464 4.470 -0.009 0.000 0.327 764 S CA 0.000 58.247 58.200 0.078 0.000 1.107 764 S CB 0.000 63.238 63.200 0.064 0.000 0.593 764 S HN 0.000 nan 8.310 nan 0.000 0.517