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 3afc_1_A DATA FIRST_RESID 19 DATA SEQUENCE GFPEDSEPIS ISHGNYTKQY PVFVGHKXXX XXXXXHRLDI QMIMIMNRTL DATA SEQUENCE YVAARDHIYT VDIDTSHTEE IYCSKKLTWK SRQADVDTcR MKGKHKDEcH DATA SEQUENCE NFIKVLLKKN DDTLFVcGTN AFNPScRNYR VDTLETFGDE FSGMARCPYD DATA SEQUENCE AKHANIALFA DGKLYSATVT DFLAIDAVIY RSLGDSPTLR TVKHDSKWLK DATA SEQUENCE EPYFVQAVDY GDYIYFFFRE IAVEYNTMGK VVFPRVAQVc KNDMGGSQRV DATA SEQUENCE LEKQWTSFLK ARLNcSVPGD SHFYFNILQA VTDVIRINGR DVVLATFSTP DATA SEQUENCE YNSIPGSAVc AYDMLDIANV FTGRFKEQKS PDSTWTPVPD ERVPKPRPGC DATA SEQUENCE cAGSSSLEKY ATSNEFPDDT LNFIKTHPLM DEAVPSIINR PWFLRTMVRY DATA SEQUENCE RLTKIAVDNA AGPYQNHTVV FLGSEKGIIL KFLARXXXXX XXXGSLFLEE DATA SEQUENCE MNVYNPEKcS YDGVEDKRIM GMQLDRASGS LYVAFSTcVI KVPLGRcERH DATA SEQUENCE GKcKKTcIAS RDPYcGWVRE SGScAHLSPL SRLTFEQDIE RGNTDGLGDc 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 19 G HA2 0.000 nan 3.960 nan 0.000 0.244 19 G HA3 0.000 3.957 3.960 -0.005 0.000 0.244 19 G C 0.000 174.956 174.900 0.093 0.000 0.946 19 G CA 0.000 45.121 45.100 0.035 0.000 0.502 20 F N 2.812 122.715 119.950 -0.080 0.000 2.557 20 F HA 0.685 5.209 4.527 -0.005 0.000 0.316 20 F C -2.267 173.477 175.800 -0.093 0.000 1.141 20 F CA -1.869 56.071 58.000 -0.101 0.000 0.922 20 F CB 2.056 40.966 39.000 -0.149 0.000 1.194 20 F HN 0.191 nan 8.300 nan 0.000 0.443 21 P HA 0.062 nan 4.420 nan 0.000 0.260 21 P C -1.168 175.966 177.300 -0.276 0.000 1.185 21 P CA 0.119 62.980 63.100 -0.397 0.000 0.763 21 P CB 0.348 31.765 31.700 -0.472 0.000 0.776 22 E N 1.306 121.427 120.200 -0.132 0.000 2.283 22 E HA 0.263 4.610 4.350 -0.005 0.000 0.271 22 E C -0.832 175.711 176.600 -0.094 0.000 1.031 22 E CA -0.973 55.391 56.400 -0.061 0.000 0.868 22 E CB 0.622 30.310 29.700 -0.021 0.000 1.094 22 E HN 0.257 nan 8.360 nan 0.000 0.401 23 D N 1.982 122.342 120.400 -0.067 0.000 2.401 23 D HA 0.022 4.660 4.640 -0.005 0.000 0.254 23 D C -0.127 176.157 176.300 -0.026 0.000 1.192 23 D CA 0.213 54.161 54.000 -0.086 0.000 0.885 23 D CB 0.728 41.501 40.800 -0.044 0.000 1.147 23 D HN 0.478 nan 8.370 nan 0.000 0.478 24 S N 2.103 117.782 115.700 -0.036 0.000 2.593 24 S HA 0.223 4.691 4.470 -0.005 0.000 0.269 24 S C 0.292 175.035 174.600 0.238 0.000 1.334 24 S CA -0.739 57.503 58.200 0.070 0.000 1.015 24 S CB 1.333 64.570 63.200 0.060 0.000 0.912 24 S HN 0.343 nan 8.310 nan 0.000 0.541 25 E N 1.864 122.171 120.200 0.179 0.000 2.248 25 E HA 0.403 4.750 4.350 -0.005 0.000 0.272 25 E C -2.280 174.291 176.600 -0.048 0.000 1.008 25 E CA -2.372 54.105 56.400 0.129 0.000 0.856 25 E CB 0.687 30.414 29.700 0.044 0.000 1.120 25 E HN 0.542 nan 8.360 nan 0.000 0.397 26 P HA 0.054 nan 4.420 nan 0.000 0.272 26 P C 0.411 177.498 177.300 -0.355 0.000 1.223 26 P CA 0.131 62.652 63.100 -0.965 0.000 0.784 26 P CB 0.903 31.883 31.700 -1.199 0.000 0.923 27 I N 0.312 120.742 120.570 -0.234 0.000 2.226 27 I HA -0.176 3.991 4.170 -0.005 0.000 0.245 27 I C 1.250 177.316 176.117 -0.084 0.000 1.100 27 I CA 1.654 62.895 61.300 -0.098 0.000 1.374 27 I CB -0.236 37.740 38.000 -0.039 0.000 1.057 27 I HN 0.454 nan 8.210 nan 0.000 0.413 28 S N -0.338 115.295 115.700 -0.113 0.000 2.548 28 S HA 0.647 5.115 4.470 -0.005 0.000 0.286 28 S C -0.810 173.706 174.600 -0.140 0.000 1.098 28 S CA -0.819 57.331 58.200 -0.084 0.000 0.930 28 S CB 2.701 65.892 63.200 -0.015 0.000 1.070 28 S HN 0.054 nan 8.310 nan 0.000 0.480 29 I N 2.041 122.525 120.570 -0.143 0.000 2.530 29 I HA 0.712 4.879 4.170 -0.005 0.000 0.297 29 I C -0.600 175.360 176.117 -0.262 0.000 1.011 29 I CA -0.045 61.129 61.300 -0.211 0.000 1.107 29 I CB 2.207 40.079 38.000 -0.214 0.000 1.285 29 I HN 0.924 nan 8.210 nan 0.000 0.436 30 S N 5.454 120.983 115.700 -0.286 0.000 2.756 30 S HA 0.555 5.022 4.470 -0.005 0.000 0.303 30 S C -0.905 173.582 174.600 -0.187 0.000 1.135 30 S CA -0.587 57.487 58.200 -0.211 0.000 1.066 30 S CB 0.280 63.450 63.200 -0.049 0.000 1.008 30 S HN 0.703 nan 8.310 nan 0.000 0.482 31 H N 2.040 121.136 119.070 0.043 0.000 2.508 31 H HA 0.478 5.031 4.556 -0.005 0.000 0.358 31 H C 1.764 177.140 175.328 0.081 0.000 1.212 31 H CA 0.288 56.374 56.048 0.064 0.000 1.356 31 H CB 0.794 30.583 29.762 0.045 0.000 1.525 31 H HN 0.753 nan 8.280 nan 0.000 0.578 32 G N 0.351 109.275 108.800 0.207 0.000 2.475 32 G HA2 -0.384 3.573 3.960 -0.005 0.000 0.220 32 G HA3 -0.384 3.573 3.960 -0.005 0.000 0.220 32 G C 1.328 176.267 174.900 0.065 0.000 1.125 32 G CA 1.245 46.414 45.100 0.116 0.000 0.755 32 G HN 0.777 nan 8.290 nan 0.000 0.565 33 N N -1.571 117.185 118.700 0.093 0.000 2.443 33 N HA -0.094 4.643 4.740 -0.005 0.000 0.184 33 N C 1.678 177.219 175.510 0.051 0.000 1.037 33 N CA 0.638 53.721 53.050 0.054 0.000 0.896 33 N CB -0.126 38.397 38.487 0.060 0.000 0.959 33 N HN 0.534 nan 8.380 nan 0.000 0.442 34 Y N -0.208 120.054 120.300 -0.063 0.000 2.464 34 Y HA 0.042 4.589 4.550 -0.004 0.000 0.288 34 Y C 2.528 178.244 175.900 -0.308 0.000 1.133 34 Y CA 1.125 59.148 58.100 -0.129 0.000 1.223 34 Y CB -0.352 38.064 38.460 -0.074 0.000 1.187 34 Y HN 0.064 nan 8.280 nan 0.000 0.539 35 T N -0.966 113.459 114.554 -0.215 0.000 3.007 35 T HA -0.173 4.174 4.350 -0.005 0.000 0.270 35 T C 1.641 175.998 174.700 -0.571 0.000 1.107 35 T CA 1.192 62.934 62.100 -0.597 0.000 1.118 35 T CB -0.530 68.263 68.868 -0.125 0.000 0.889 35 T HN 0.531 nan 8.240 nan 0.000 0.506 36 K N 0.945 121.152 120.400 -0.321 0.000 2.442 36 K HA -0.151 4.166 4.320 -0.005 0.000 0.199 36 K C 2.188 178.644 176.600 -0.239 0.000 1.044 36 K CA 1.234 57.388 56.287 -0.222 0.000 0.941 36 K CB -0.266 32.146 32.500 -0.146 0.000 0.759 36 K HN 0.466 nan 8.250 nan 0.000 0.472 37 Q N 0.038 119.616 119.800 -0.371 0.000 2.451 37 Q HA 0.005 4.342 4.340 -0.005 0.000 0.206 37 Q C -0.553 175.392 176.000 -0.091 0.000 0.947 37 Q CA -0.138 55.514 55.803 -0.253 0.000 0.937 37 Q CB 0.271 28.825 28.738 -0.307 0.000 1.025 37 Q HN 0.263 nan 8.270 nan 0.000 0.511 38 Y N 1.651 121.885 120.300 -0.111 0.000 2.442 38 Y HA 0.182 4.729 4.550 -0.005 0.000 0.330 38 Y C -1.948 173.905 175.900 -0.078 0.000 1.129 38 Y CA -3.288 54.757 58.100 -0.092 0.000 1.365 38 Y CB -0.271 38.144 38.460 -0.075 0.000 1.233 38 Y HN 0.103 nan 8.280 nan 0.000 0.529 39 P HA 0.053 nan 4.420 nan 0.000 0.265 39 P C -0.881 176.423 177.300 0.006 0.000 1.193 39 P CA 0.193 63.304 63.100 0.017 0.000 0.765 39 P CB 0.574 32.291 31.700 0.028 0.000 0.823 40 V N 4.360 124.251 119.914 -0.039 0.000 2.588 40 V HA 0.381 4.498 4.120 -0.005 0.000 0.304 40 V C -0.446 175.617 176.094 -0.052 0.000 1.042 40 V CA -0.640 61.648 62.300 -0.021 0.000 0.877 40 V CB 1.535 33.327 31.823 -0.052 0.000 0.996 40 V HN 0.379 nan 8.190 nan 0.000 0.425 41 F N 5.583 125.438 119.950 -0.157 0.000 2.408 41 F HA 0.579 5.103 4.527 -0.005 0.000 0.344 41 F C 0.708 176.377 175.800 -0.219 0.000 1.112 41 F CA -0.239 57.627 58.000 -0.224 0.000 1.096 41 F CB 1.727 40.606 39.000 -0.201 0.000 1.129 41 F HN 0.306 nan 8.300 nan 0.000 0.486 42 V N 2.499 121.787 119.914 -1.044 0.000 3.398 42 V HA 0.512 4.630 4.120 -0.005 0.000 0.298 42 V C 0.562 175.916 176.094 -1.233 0.000 1.496 42 V CA 0.170 61.932 62.300 -0.897 0.000 1.044 42 V CB 0.031 31.601 31.823 -0.421 0.000 0.880 42 V HN 1.508 nan 8.190 nan 0.000 0.443 43 G N 1.247 108.878 108.800 -1.949 0.000 2.392 43 G HA2 -0.106 3.851 3.960 -0.005 0.000 0.215 43 G HA3 -0.106 3.851 3.960 -0.005 0.000 0.215 43 G C -0.374 174.250 174.900 -0.459 0.000 1.097 43 G CA 0.083 44.415 45.100 -1.280 0.000 0.840 43 G HN 0.806 nan 8.290 nan 0.000 0.492 44 H N -0.301 118.632 119.070 -0.227 0.000 2.771 44 H HA 0.735 5.288 4.556 -0.004 0.000 0.367 44 H C 0.573 175.982 175.328 0.135 0.000 1.172 44 H CA -0.234 55.816 56.048 0.005 0.000 1.186 44 H CB 1.630 31.443 29.762 0.085 0.000 1.790 44 H HN 0.591 nan 8.280 nan 0.000 0.556 55 R N 3.502 123.943 120.500 -0.097 0.000 2.480 55 R HA -0.017 4.321 4.340 -0.005 0.000 0.303 55 R C 0.649 176.728 176.300 -0.369 0.000 0.985 55 R CA -0.218 55.719 56.100 -0.272 0.000 1.051 55 R CB 0.438 30.673 30.300 -0.109 0.000 0.935 55 R HN 0.430 nan 8.270 nan 0.000 0.410 56 L N 2.768 123.784 121.223 -0.346 0.000 2.044 56 L HA -0.084 4.253 4.340 -0.005 0.000 0.205 56 L C 0.278 177.167 176.870 0.031 0.000 1.075 56 L CA 1.427 56.210 54.840 -0.094 0.000 0.747 56 L CB -0.387 41.607 42.059 -0.108 0.000 0.903 56 L HN 0.792 nan 8.230 nan 0.000 0.435 57 D N 0.375 120.786 120.400 0.019 0.000 2.746 57 D HA -0.206 4.431 4.640 -0.005 0.000 0.241 57 D C 0.003 176.410 176.300 0.178 0.000 1.140 57 D CA 0.486 54.564 54.000 0.130 0.000 0.707 57 D CB -1.303 39.678 40.800 0.300 0.000 1.034 57 D HN 0.219 nan 8.370 nan 0.000 0.423 58 I N 1.030 121.686 120.570 0.143 0.000 2.598 58 I HA -0.125 4.042 4.170 -0.005 0.000 0.284 58 I C 1.902 178.095 176.117 0.126 0.000 1.140 58 I CA 0.183 61.581 61.300 0.163 0.000 1.420 58 I CB 0.686 38.781 38.000 0.159 0.000 1.387 58 I HN -0.002 nan 8.210 nan 0.000 0.553 59 Q N 6.440 126.317 119.800 0.128 0.000 2.349 59 Q HA 0.234 4.572 4.340 -0.005 0.000 0.209 59 Q C -0.008 176.035 176.000 0.073 0.000 0.920 59 Q CA 0.843 56.699 55.803 0.089 0.000 0.901 59 Q CB 0.555 29.349 28.738 0.093 0.000 1.021 59 Q HN 0.814 nan 8.270 nan 0.000 0.519 60 M N -1.036 118.613 119.600 0.083 0.000 2.724 60 M HA 0.469 4.946 4.480 -0.005 0.000 0.280 60 M C -1.457 174.888 176.300 0.074 0.000 1.090 60 M CA -0.799 54.542 55.300 0.067 0.000 0.838 60 M CB 1.551 34.188 32.600 0.062 0.000 1.729 60 M HN -0.052 nan 8.290 nan 0.000 0.530 61 I N 0.122 120.725 120.570 0.055 0.000 2.693 61 I HA 0.922 5.089 4.170 -0.005 0.000 0.303 61 I C -1.190 174.956 176.117 0.049 0.000 1.025 61 I CA -0.946 60.383 61.300 0.048 0.000 1.086 61 I CB 2.298 40.309 38.000 0.017 0.000 1.268 61 I HN 0.986 nan 8.210 nan 0.000 0.440 62 M N 5.787 125.428 119.600 0.068 0.000 2.255 62 M HA 0.531 5.008 4.480 -0.005 0.000 0.275 62 M C -2.020 174.353 176.300 0.121 0.000 1.050 62 M CA -0.380 54.968 55.300 0.081 0.000 0.978 62 M CB 2.026 34.668 32.600 0.070 0.000 1.761 62 M HN 0.663 nan 8.290 nan 0.000 0.479 63 I N 5.265 125.875 120.570 0.067 0.000 2.395 63 I HA 0.370 4.537 4.170 -0.005 0.000 0.289 63 I C -0.537 175.648 176.117 0.114 0.000 1.023 63 I CA 0.015 61.351 61.300 0.060 0.000 1.350 63 I CB 1.329 39.332 38.000 0.005 0.000 1.409 63 I HN 0.736 nan 8.210 nan 0.000 0.507 64 M N 5.459 125.165 119.600 0.176 0.000 2.213 64 M HA 0.281 4.758 4.480 -0.005 0.000 0.286 64 M C 0.030 176.408 176.300 0.130 0.000 1.008 64 M CA -0.325 55.077 55.300 0.170 0.000 0.937 64 M CB 1.758 34.505 32.600 0.246 0.000 1.600 64 M HN 0.704 nan 8.290 nan 0.000 0.450 65 N N 1.244 119.991 118.700 0.078 0.000 1.613 65 N HA -0.265 4.472 4.740 -0.005 0.000 0.146 65 N C 0.020 175.546 175.510 0.026 0.000 0.527 65 N CA 1.919 54.999 53.050 0.050 0.000 1.174 65 N CB -0.524 37.994 38.487 0.052 0.000 1.340 65 N HN 0.624 nan 8.380 nan 0.000 0.437 66 R N 0.120 120.626 120.500 0.010 0.000 2.629 66 R HA 0.351 4.688 4.340 -0.005 0.000 0.386 66 R C -0.710 175.549 176.300 -0.069 0.000 1.071 66 R CA 0.138 56.225 56.100 -0.022 0.000 1.104 66 R CB 0.221 30.511 30.300 -0.016 0.000 1.370 66 R HN 0.387 nan 8.270 nan 0.000 0.574 67 T N 1.714 116.219 114.554 -0.082 0.000 2.792 67 T HA 0.344 4.692 4.350 -0.005 0.000 0.280 67 T C -0.587 173.946 174.700 -0.279 0.000 0.990 67 T CA -0.527 61.435 62.100 -0.230 0.000 0.960 67 T CB 1.918 70.595 68.868 -0.318 0.000 0.939 67 T HN -0.018 nan 8.240 nan 0.000 0.439 68 L N 4.782 125.774 121.223 -0.385 0.000 2.260 68 L HA 0.471 4.808 4.340 -0.005 0.000 0.289 68 L C -1.377 175.253 176.870 -0.399 0.000 1.057 68 L CA -0.370 54.248 54.840 -0.370 0.000 0.811 68 L CB -0.180 41.541 42.059 -0.564 0.000 1.184 68 L HN 0.572 nan 8.230 nan 0.000 0.429 69 Y N 4.288 124.503 120.300 -0.141 0.000 2.341 69 Y HA 0.484 5.032 4.550 -0.005 0.000 0.340 69 Y C 0.011 175.868 175.900 -0.071 0.000 0.997 69 Y CA -0.633 57.415 58.100 -0.087 0.000 1.149 69 Y CB 1.500 39.937 38.460 -0.038 0.000 1.171 69 Y HN 0.281 nan 8.280 nan 0.000 0.494 70 V N 4.159 124.118 119.914 0.076 0.000 2.311 70 V HA 0.571 4.688 4.120 -0.005 0.000 0.275 70 V C 0.070 176.292 176.094 0.214 0.000 1.022 70 V CA -0.930 61.446 62.300 0.127 0.000 0.830 70 V CB 0.662 32.550 31.823 0.108 0.000 1.012 70 V HN 0.866 nan 8.190 nan 0.000 0.452 71 A N 4.343 127.261 122.820 0.164 0.000 2.289 71 A HA 0.940 5.257 4.320 -0.005 0.000 0.298 71 A C 0.330 178.010 177.584 0.160 0.000 1.208 71 A CA 0.449 52.564 52.037 0.129 0.000 0.845 71 A CB 1.007 20.059 19.000 0.087 0.000 1.125 71 A HN 1.257 nan 8.150 nan 0.000 0.517 72 A N 2.319 125.230 122.820 0.151 0.000 3.613 72 A HA 0.787 5.104 4.320 -0.005 0.000 0.276 72 A C -0.013 177.642 177.584 0.119 0.000 1.115 72 A CA -0.578 51.580 52.037 0.201 0.000 0.652 72 A CB 0.261 19.460 19.000 0.332 0.000 1.498 72 A HN 0.929 nan 8.150 nan 0.000 0.710 73 R N 0.510 121.064 120.500 0.089 0.000 2.267 73 R HA 0.344 4.681 4.340 -0.005 0.000 0.319 73 R C -0.698 175.493 176.300 -0.182 0.000 1.067 73 R CA 0.750 56.719 56.100 -0.219 0.000 0.936 73 R CB -0.196 29.884 30.300 -0.366 0.000 1.006 73 R HN 0.653 nan 8.270 nan 0.000 0.452 74 D N 1.239 121.435 120.400 -0.339 0.000 3.006 74 D HA -0.239 4.398 4.640 -0.005 0.000 0.208 74 D C -0.534 175.394 176.300 -0.619 0.000 1.116 74 D CA 1.613 55.349 54.000 -0.440 0.000 0.998 74 D CB -0.653 39.870 40.800 -0.462 0.000 1.124 74 D HN 0.672 nan 8.370 nan 0.000 0.413 75 H N -0.926 118.047 119.070 -0.161 0.000 2.851 75 H HA 0.593 5.147 4.556 -0.005 0.000 0.372 75 H C 0.100 175.249 175.328 -0.298 0.000 1.158 75 H CA -0.607 55.259 56.048 -0.302 0.000 1.159 75 H CB 1.556 30.934 29.762 -0.640 0.000 1.757 75 H HN -0.103 nan 8.280 nan 0.000 0.546 76 I N 3.185 123.666 120.570 -0.149 0.000 2.354 76 I HA 0.166 4.334 4.170 -0.005 0.000 0.286 76 I C -0.603 175.443 176.117 -0.119 0.000 1.007 76 I CA -0.582 60.666 61.300 -0.085 0.000 1.167 76 I CB 0.492 38.486 38.000 -0.010 0.000 1.320 76 I HN 0.316 nan 8.210 nan 0.000 0.458 77 Y N 3.856 124.216 120.300 0.101 0.000 2.299 77 Y HA 0.384 4.931 4.550 -0.005 0.000 0.326 77 Y C 1.124 176.946 175.900 -0.129 0.000 1.164 77 Y CA -0.566 57.552 58.100 0.030 0.000 1.234 77 Y CB 1.179 39.710 38.460 0.118 0.000 1.219 77 Y HN 0.487 nan 8.280 nan 0.000 0.497 78 T N -0.577 113.951 114.554 -0.044 0.000 2.885 78 T HA 0.779 5.127 4.350 -0.005 0.000 0.285 78 T C -1.068 173.453 174.700 -0.298 0.000 1.019 78 T CA -0.815 61.106 62.100 -0.298 0.000 1.010 78 T CB 1.438 70.088 68.868 -0.364 0.000 1.022 78 T HN 0.385 nan 8.240 nan 0.000 0.466 79 V N 2.603 122.278 119.914 -0.399 0.000 2.577 79 V HA 0.361 4.478 4.120 -0.005 0.000 0.303 79 V C -0.496 175.448 176.094 -0.251 0.000 1.042 79 V CA -0.923 61.175 62.300 -0.337 0.000 0.872 79 V CB 1.752 33.272 31.823 -0.505 0.000 0.998 79 V HN 1.070 nan 8.190 nan 0.000 0.423 80 D N 3.692 124.028 120.400 -0.107 0.000 2.401 80 D HA 0.179 4.816 4.640 -0.005 0.000 0.254 80 D C 1.004 177.306 176.300 0.003 0.000 1.192 80 D CA 0.240 54.209 54.000 -0.051 0.000 0.885 80 D CB 1.246 42.050 40.800 0.008 0.000 1.147 80 D HN 0.483 nan 8.370 nan 0.000 0.478 81 I N 2.804 123.343 120.570 -0.052 0.000 2.617 81 I HA -0.166 4.001 4.170 -0.005 0.000 0.256 81 I C 1.525 177.653 176.117 0.018 0.000 1.167 81 I CA 0.241 61.536 61.300 -0.007 0.000 1.469 81 I CB 0.068 38.036 38.000 -0.053 0.000 1.098 81 I HN 0.338 nan 8.210 nan 0.000 0.436 82 D N 0.880 121.263 120.400 -0.029 0.000 2.077 82 D HA -0.086 4.552 4.640 -0.005 0.000 0.197 82 D C 0.860 177.067 176.300 -0.155 0.000 0.983 82 D CA 1.005 54.966 54.000 -0.065 0.000 0.841 82 D CB -0.862 39.908 40.800 -0.049 0.000 0.992 82 D HN 0.149 nan 8.370 nan 0.000 0.450 83 T N 2.006 116.450 114.554 -0.182 0.000 2.591 83 T HA 0.021 4.368 4.350 -0.005 0.000 0.245 83 T C 0.473 174.798 174.700 -0.626 0.000 1.031 83 T CA 0.064 61.982 62.100 -0.303 0.000 1.187 83 T CB -0.272 68.481 68.868 -0.191 0.000 1.014 83 T HN 0.152 nan 8.240 nan 0.000 0.488 84 S N 3.975 119.466 115.700 -0.349 0.000 2.466 84 S HA 0.148 4.615 4.470 -0.005 0.000 0.286 84 S C -0.108 174.333 174.600 -0.266 0.000 1.221 84 S CA -0.688 57.338 58.200 -0.289 0.000 1.091 84 S CB -0.088 63.030 63.200 -0.136 0.000 0.956 84 S HN 0.709 nan 8.310 nan 0.000 0.501 85 H N 1.576 120.639 119.070 -0.011 0.000 2.499 85 H HA 0.534 5.087 4.556 -0.005 0.000 0.352 85 H C 1.476 176.789 175.328 -0.025 0.000 1.237 85 H CA -0.169 55.869 56.048 -0.017 0.000 1.343 85 H CB 0.838 30.580 29.762 -0.032 0.000 1.578 85 H HN 0.806 nan 8.280 nan 0.000 0.577 86 T N -2.248 112.372 114.554 0.109 0.000 3.210 86 T HA 0.103 4.450 4.350 -0.005 0.000 0.290 86 T C 1.303 176.008 174.700 0.007 0.000 1.229 86 T CA -0.602 61.523 62.100 0.042 0.000 0.920 86 T CB 0.153 69.047 68.868 0.044 0.000 2.279 86 T HN 0.635 nan 8.240 nan 0.000 0.552 87 E N 0.991 121.181 120.200 -0.016 0.000 2.118 87 E HA -0.053 4.294 4.350 -0.005 0.000 0.195 87 E C 0.506 177.053 176.600 -0.089 0.000 0.992 87 E CA 1.073 57.449 56.400 -0.040 0.000 0.804 87 E CB 0.083 29.762 29.700 -0.034 0.000 0.741 87 E HN 0.547 nan 8.360 nan 0.000 0.458 88 E N 0.265 120.365 120.200 -0.167 0.000 2.199 88 E HA 0.361 4.709 4.350 -0.005 0.000 0.269 88 E C -0.796 175.456 176.600 -0.580 0.000 0.899 88 E CA -0.437 55.749 56.400 -0.356 0.000 0.772 88 E CB 1.863 31.322 29.700 -0.402 0.000 1.155 88 E HN -0.013 nan 8.360 nan 0.000 0.408 89 I N 3.272 123.546 120.570 -0.492 0.000 2.396 89 I HA 0.242 4.410 4.170 -0.005 0.000 0.292 89 I C -0.562 175.327 176.117 -0.380 0.000 0.999 89 I CA -0.330 60.668 61.300 -0.503 0.000 1.310 89 I CB 0.536 38.331 38.000 -0.343 0.000 1.404 89 I HN 0.435 nan 8.210 nan 0.000 0.496 90 Y N 3.867 124.189 120.300 0.036 0.000 2.528 90 Y HA 0.375 4.922 4.550 -0.004 0.000 0.335 90 Y C 0.223 176.219 175.900 0.159 0.000 1.093 90 Y CA -0.842 57.334 58.100 0.126 0.000 1.134 90 Y CB 1.667 40.183 38.460 0.094 0.000 1.253 90 Y HN 0.470 nan 8.280 nan 0.000 0.478 91 C N 1.383 120.940 119.300 0.428 0.000 2.514 91 C HA 0.240 4.698 4.460 -0.005 0.000 0.392 91 C C 1.296 176.389 174.990 0.172 0.000 1.294 91 C CA 0.066 59.268 59.018 0.306 0.000 1.957 91 C CB -0.364 27.605 27.740 0.381 0.000 2.541 91 C HN 1.007 nan 8.230 nan 0.000 0.569 92 S N 3.283 119.033 115.700 0.084 0.000 2.371 92 S HA 0.083 4.551 4.470 -0.005 0.000 0.219 92 S C 0.358 174.986 174.600 0.046 0.000 1.040 92 S CA 0.681 58.911 58.200 0.051 0.000 0.958 92 S CB 0.036 63.237 63.200 0.002 0.000 0.860 92 S HN 0.907 nan 8.310 nan 0.000 0.487 93 K N 0.248 120.671 120.400 0.038 0.000 2.430 93 K HA 0.671 4.988 4.320 -0.005 0.000 0.268 93 K C -1.451 175.188 176.600 0.065 0.000 1.043 93 K CA -1.027 55.289 56.287 0.049 0.000 0.899 93 K CB 1.815 34.335 32.500 0.034 0.000 1.472 93 K HN -0.111 nan 8.250 nan 0.000 0.451 94 K N 1.039 121.475 120.400 0.059 0.000 2.535 94 K HA 0.377 4.695 4.320 -0.005 0.000 0.251 94 K C -1.874 174.750 176.600 0.041 0.000 0.942 94 K CA -0.763 55.553 56.287 0.048 0.000 0.798 94 K CB 2.149 34.683 32.500 0.056 0.000 1.267 94 K HN 0.660 nan 8.250 nan 0.000 0.434 95 L N 2.667 123.893 121.223 0.004 0.000 2.317 95 L HA 0.549 4.887 4.340 -0.005 0.000 0.281 95 L C -1.111 175.781 176.870 0.035 0.000 1.024 95 L CA -0.137 54.689 54.840 -0.024 0.000 0.810 95 L CB 1.905 43.858 42.059 -0.177 0.000 1.240 95 L HN 0.598 nan 8.230 nan 0.000 0.427 96 T N 4.026 118.615 114.554 0.059 0.000 2.809 96 T HA 0.343 4.690 4.350 -0.005 0.000 0.284 96 T C -1.621 173.136 174.700 0.094 0.000 0.992 96 T CA -0.105 62.012 62.100 0.028 0.000 0.957 96 T CB 0.794 69.718 68.868 0.093 0.000 0.942 96 T HN 0.565 nan 8.240 nan 0.000 0.439 97 W N 5.848 127.010 121.300 -0.230 0.000 2.451 97 W HA 0.403 5.060 4.660 -0.004 0.000 0.285 97 W C -1.028 175.375 176.519 -0.193 0.000 1.024 97 W CA -1.578 55.681 57.345 -0.143 0.000 1.421 97 W CB 0.450 29.861 29.460 -0.083 0.000 1.319 97 W HN 0.455 nan 8.180 nan 0.000 0.366 98 K N 2.511 122.974 120.400 0.104 0.000 2.144 98 K HA 0.461 4.778 4.320 -0.005 0.000 0.270 98 K C 0.586 177.203 176.600 0.029 0.000 1.005 98 K CA -0.652 55.622 56.287 -0.021 0.000 0.932 98 K CB 1.602 34.104 32.500 0.003 0.000 1.021 98 K HN 0.082 nan 8.250 nan 0.000 0.462 99 S N 1.514 117.175 115.700 -0.066 0.000 2.568 99 S HA 0.051 4.518 4.470 -0.005 0.000 0.282 99 S C 0.284 174.907 174.600 0.037 0.000 1.338 99 S CA -0.311 57.868 58.200 -0.035 0.000 1.045 99 S CB 0.345 63.505 63.200 -0.065 0.000 0.873 99 S HN 0.349 nan 8.310 nan 0.000 0.516 100 R N 1.659 122.196 120.500 0.063 0.000 2.640 100 R HA -0.016 4.322 4.340 -0.005 0.000 0.270 100 R C 1.417 177.738 176.300 0.035 0.000 1.024 100 R CA -0.123 56.011 56.100 0.057 0.000 1.085 100 R CB 0.183 30.520 30.300 0.061 0.000 0.963 100 R HN 0.545 nan 8.270 nan 0.000 0.426 101 Q N 2.897 122.715 119.800 0.031 0.000 2.135 101 Q HA -0.175 4.162 4.340 -0.005 0.000 0.204 101 Q C 1.760 177.771 176.000 0.018 0.000 0.981 101 Q CA 2.360 58.175 55.803 0.021 0.000 0.856 101 Q CB -0.146 28.604 28.738 0.021 0.000 0.902 101 Q HN 0.772 nan 8.270 nan 0.000 0.425 102 A N 0.241 123.074 122.820 0.023 0.000 1.933 102 A HA -0.178 4.140 4.320 -0.005 0.000 0.218 102 A C 1.783 179.384 177.584 0.029 0.000 1.175 102 A CA 1.712 53.762 52.037 0.022 0.000 0.628 102 A CB -0.548 18.465 19.000 0.023 0.000 0.814 102 A HN 0.424 nan 8.150 nan 0.000 0.444 103 D N -0.276 120.147 120.400 0.038 0.000 2.123 103 D HA -0.077 4.560 4.640 -0.005 0.000 0.200 103 D C 2.103 178.436 176.300 0.055 0.000 0.976 103 D CA 1.311 55.344 54.000 0.056 0.000 0.831 103 D CB -0.292 40.543 40.800 0.058 0.000 0.974 103 D HN 0.216 nan 8.370 nan 0.000 0.469 104 V N 1.888 121.818 119.914 0.026 0.000 2.332 104 V HA -0.213 3.904 4.120 -0.005 0.000 0.248 104 V C 1.845 177.939 176.094 0.001 0.000 1.055 104 V CA 1.755 64.055 62.300 -0.000 0.000 1.038 104 V CB -0.315 31.490 31.823 -0.031 0.000 0.651 104 V HN 0.083 nan 8.190 nan 0.000 0.450 105 D N -0.745 119.657 120.400 0.004 0.000 2.194 105 D HA -0.088 4.550 4.640 -0.005 0.000 0.204 105 D C 2.264 178.563 176.300 -0.002 0.000 0.964 105 D CA 1.414 55.412 54.000 -0.004 0.000 0.846 105 D CB -0.281 40.517 40.800 -0.004 0.000 0.962 105 D HN 0.354 nan 8.370 nan 0.000 0.490 106 T N 0.389 114.949 114.554 0.011 0.000 2.746 106 T HA -0.165 4.182 4.350 -0.005 0.000 0.267 106 T C 2.131 176.840 174.700 0.015 0.000 1.039 106 T CA 0.939 63.043 62.100 0.006 0.000 1.142 106 T CB -0.497 68.383 68.868 0.021 0.000 0.866 106 T HN 0.259 nan 8.240 nan 0.000 0.444 107 c N 2.035 120.671 118.600 0.061 0.000 2.413 107 c HA -0.074 4.494 4.570 -0.005 0.000 0.276 107 c C 2.811 176.903 174.090 0.004 0.000 1.248 107 c CA 0.748 57.128 56.329 0.084 0.000 1.742 107 c CB -0.968 41.622 42.510 0.133 0.000 2.017 107 c HN 0.421 nan 8.230 nan 0.000 0.481 108 R N 0.189 120.682 120.500 -0.012 0.000 2.115 108 R HA -0.051 4.286 4.340 -0.005 0.000 0.226 108 R C 2.213 178.489 176.300 -0.040 0.000 1.100 108 R CA 1.424 57.503 56.100 -0.036 0.000 0.980 108 R CB -0.855 29.420 30.300 -0.042 0.000 0.875 108 R HN 0.723 nan 8.270 nan 0.000 0.445 109 M N 1.037 120.614 119.600 -0.038 0.000 2.175 109 M HA -0.111 4.366 4.480 -0.005 0.000 0.264 109 M C 1.257 177.515 176.300 -0.070 0.000 1.063 109 M CA 1.707 56.977 55.300 -0.050 0.000 1.119 109 M CB 0.070 32.641 32.600 -0.049 0.000 1.377 109 M HN -0.146 nan 8.290 nan 0.000 0.415 110 K N 0.110 120.458 120.400 -0.087 0.000 2.525 110 K HA 0.112 4.429 4.320 -0.005 0.000 0.192 110 K C 0.888 177.458 176.600 -0.050 0.000 1.029 110 K CA 0.599 56.806 56.287 -0.133 0.000 1.029 110 K CB 0.004 32.317 32.500 -0.311 0.000 0.814 110 K HN 0.727 nan 8.250 nan 0.000 0.503 111 G N 1.602 110.378 108.800 -0.040 0.000 2.157 111 G HA2 -0.197 3.760 3.960 -0.005 0.000 0.239 111 G HA3 -0.197 3.760 3.960 -0.005 0.000 0.239 111 G C -0.158 174.722 174.900 -0.033 0.000 0.982 111 G CA -0.307 44.776 45.100 -0.028 0.000 0.650 111 G HN 0.059 nan 8.290 nan 0.000 0.527 112 K N 0.801 121.157 120.400 -0.074 0.000 2.237 112 K HA 0.282 4.599 4.320 -0.005 0.000 0.270 112 K C 0.623 177.222 176.600 -0.001 0.000 1.015 112 K CA -0.662 55.561 56.287 -0.107 0.000 0.949 112 K CB 0.524 32.813 32.500 -0.353 0.000 0.976 112 K HN 0.413 nan 8.250 nan 0.000 0.472 113 H N 2.126 121.182 119.070 -0.023 0.000 2.757 113 H HA -0.037 4.516 4.556 -0.004 0.000 0.370 113 H C 1.101 176.448 175.328 0.033 0.000 1.172 113 H CA 0.890 56.948 56.048 0.017 0.000 1.426 113 H CB 0.972 30.759 29.762 0.041 0.000 1.438 113 H HN 0.545 nan 8.280 nan 0.000 0.612 114 K N 1.607 121.953 120.400 -0.090 0.000 2.063 114 K HA -0.163 4.155 4.320 -0.005 0.000 0.208 114 K C 0.946 177.684 176.600 0.230 0.000 1.048 114 K CA 1.888 58.197 56.287 0.038 0.000 0.928 114 K CB 0.063 32.540 32.500 -0.038 0.000 0.713 114 K HN 0.556 nan 8.250 nan 0.000 0.442 115 D N 0.664 121.381 120.400 0.527 0.000 2.350 115 D HA -0.104 4.533 4.640 -0.005 0.000 0.216 115 D C 1.117 177.712 176.300 0.491 0.000 0.968 115 D CA 0.921 55.195 54.000 0.456 0.000 0.894 115 D CB 0.156 41.123 40.800 0.279 0.000 0.909 115 D HN 0.437 nan 8.370 nan 0.000 0.520 116 E N -0.837 119.599 120.200 0.394 0.000 2.400 116 E HA 0.052 4.399 4.350 -0.005 0.000 0.195 116 E C 0.304 177.208 176.600 0.506 0.000 1.012 116 E CA 0.086 56.752 56.400 0.443 0.000 0.875 116 E CB 0.522 30.452 29.700 0.383 0.000 0.859 116 E HN 0.119 nan 8.360 nan 0.000 0.498 117 c N 2.657 121.382 118.600 0.208 0.000 2.478 117 c HA 0.341 4.908 4.570 -0.005 0.000 0.471 117 c C -0.064 173.872 174.090 -0.255 0.000 1.146 117 c CA -0.620 55.746 56.329 0.061 0.000 1.532 117 c CB -1.698 40.803 42.510 -0.014 0.000 1.622 117 c HN 0.286 nan 8.230 nan 0.000 0.568 118 H N 0.357 119.475 119.070 0.081 0.000 2.949 118 H HA 0.289 4.842 4.556 -0.005 0.000 0.356 118 H C -0.729 174.377 175.328 -0.369 0.000 1.212 118 H CA -0.624 55.275 56.048 -0.248 0.000 1.136 118 H CB 1.304 30.719 29.762 -0.578 0.000 1.869 118 H HN 0.161 nan 8.280 nan 0.000 0.556 119 N N 1.454 119.947 118.700 -0.344 0.000 2.521 119 N HA 0.128 4.866 4.740 -0.005 0.000 0.236 119 N C -1.410 173.797 175.510 -0.505 0.000 1.067 119 N CA -0.171 52.619 53.050 -0.432 0.000 0.939 119 N CB -0.548 37.594 38.487 -0.575 0.000 1.201 119 N HN 0.224 nan 8.380 nan 0.000 0.511 120 F N 3.744 123.575 119.950 -0.198 0.000 2.411 120 F HA 0.347 4.871 4.527 -0.004 0.000 0.355 120 F C 0.645 176.327 175.800 -0.197 0.000 1.117 120 F CA -0.911 56.996 58.000 -0.155 0.000 1.139 120 F CB 0.631 39.565 39.000 -0.109 0.000 1.120 120 F HN 0.191 nan 8.300 nan 0.000 0.493 121 I N 5.258 125.815 120.570 -0.022 0.000 2.421 121 I HA 0.058 4.225 4.170 -0.005 0.000 0.291 121 I C 0.789 176.916 176.117 0.015 0.000 1.089 121 I CA 0.115 61.384 61.300 -0.052 0.000 1.354 121 I CB 0.589 38.562 38.000 -0.044 0.000 1.413 121 I HN 0.645 nan 8.210 nan 0.000 0.513 122 K N 4.359 124.756 120.400 -0.004 0.000 2.438 122 K HA 0.296 4.613 4.320 -0.005 0.000 0.206 122 K C -0.269 176.354 176.600 0.039 0.000 1.081 122 K CA 0.183 56.480 56.287 0.018 0.000 1.053 122 K CB 1.539 34.035 32.500 -0.007 0.000 0.908 122 K HN 0.317 nan 8.250 nan 0.000 0.556 123 V N 2.234 122.178 119.914 0.050 0.000 2.577 123 V HA 0.409 4.527 4.120 -0.005 0.000 0.303 123 V C -1.426 174.738 176.094 0.116 0.000 1.042 123 V CA -0.997 61.366 62.300 0.104 0.000 0.872 123 V CB 2.156 34.073 31.823 0.157 0.000 0.998 123 V HN 0.062 nan 8.190 nan 0.000 0.423 124 L N 7.240 128.538 121.223 0.126 0.000 2.596 124 L HA 0.730 5.067 4.340 -0.005 0.000 0.265 124 L C -1.655 175.286 176.870 0.120 0.000 0.962 124 L CA 0.104 55.004 54.840 0.100 0.000 0.891 124 L CB 1.425 43.495 42.059 0.019 0.000 1.248 124 L HN 0.568 nan 8.230 nan 0.000 0.410 125 L N 3.499 124.850 121.223 0.213 0.000 2.409 125 L HA 0.556 4.893 4.340 -0.005 0.000 0.262 125 L C -0.456 176.532 176.870 0.197 0.000 0.992 125 L CA -0.955 54.031 54.840 0.243 0.000 0.817 125 L CB 2.314 44.630 42.059 0.427 0.000 1.350 125 L HN 0.573 nan 8.230 nan 0.000 0.411 126 K N 2.480 122.945 120.400 0.108 0.000 2.315 126 K HA 0.109 4.427 4.320 -0.005 0.000 0.291 126 K C 0.672 177.267 176.600 -0.008 0.000 1.074 126 K CA -0.108 56.206 56.287 0.044 0.000 0.936 126 K CB 0.824 33.333 32.500 0.015 0.000 1.049 126 K HN 0.562 nan 8.250 nan 0.000 0.471 127 K N 3.182 123.538 120.400 -0.074 0.000 2.062 127 K HA -0.146 4.171 4.320 -0.005 0.000 0.205 127 K C 0.133 176.571 176.600 -0.270 0.000 1.051 127 K CA 1.900 57.945 56.287 -0.402 0.000 0.941 127 K CB 0.093 32.428 32.500 -0.276 0.000 0.719 127 K HN 0.906 nan 8.250 nan 0.000 0.440 128 N N -2.142 116.498 118.700 -0.099 0.000 3.587 128 N HA 0.063 4.800 4.740 -0.005 0.000 0.339 128 N C -0.451 175.053 175.510 -0.009 0.000 1.636 128 N CA -0.453 52.563 53.050 -0.056 0.000 0.788 128 N CB -0.016 38.442 38.487 -0.049 0.000 2.205 128 N HN -0.297 nan 8.380 nan 0.000 0.600 129 D N -1.222 119.178 120.400 0.000 0.000 2.312 129 D HA 0.047 4.684 4.640 -0.005 0.000 0.211 129 D C -0.076 176.241 176.300 0.028 0.000 0.964 129 D CA 1.085 55.094 54.000 0.015 0.000 0.877 129 D CB -0.125 40.681 40.800 0.009 0.000 0.924 129 D HN 0.451 nan 8.370 nan 0.000 0.515 130 D N -1.098 119.320 120.400 0.031 0.000 2.473 130 D HA 0.068 4.706 4.640 -0.005 0.000 0.230 130 D C -0.071 176.288 176.300 0.098 0.000 1.097 130 D CA 0.483 54.507 54.000 0.041 0.000 0.861 130 D CB 0.545 41.344 40.800 -0.002 0.000 1.114 130 D HN -0.034 nan 8.370 nan 0.000 0.500 131 T N 1.279 115.907 114.554 0.124 0.000 2.779 131 T HA 0.524 4.871 4.350 -0.005 0.000 0.280 131 T C 0.058 174.863 174.700 0.174 0.000 0.987 131 T CA -0.544 61.689 62.100 0.223 0.000 0.966 131 T CB 1.745 70.774 68.868 0.268 0.000 0.933 131 T HN -0.118 nan 8.240 nan 0.000 0.442 132 L N 3.401 124.750 121.223 0.209 0.000 2.282 132 L HA 0.535 4.872 4.340 -0.005 0.000 0.288 132 L C -0.614 176.416 176.870 0.267 0.000 1.033 132 L CA -0.934 54.011 54.840 0.174 0.000 0.807 132 L CB 0.985 43.095 42.059 0.084 0.000 1.209 132 L HN 0.601 nan 8.230 nan 0.000 0.423 133 F N 4.538 124.585 119.950 0.160 0.000 2.405 133 F HA 0.555 5.080 4.527 -0.005 0.000 0.355 133 F C -0.462 175.460 175.800 0.203 0.000 1.121 133 F CA -0.386 57.752 58.000 0.230 0.000 1.112 133 F CB 1.134 40.379 39.000 0.407 0.000 1.126 133 F HN 0.037 nan 8.300 nan 0.000 0.481 134 V N 5.518 125.298 119.914 -0.223 0.000 2.577 134 V HA 0.421 4.539 4.120 -0.005 0.000 0.303 134 V C -0.900 175.147 176.094 -0.078 0.000 1.042 134 V CA -0.826 61.455 62.300 -0.032 0.000 0.872 134 V CB 1.498 33.381 31.823 0.099 0.000 0.998 134 V HN 0.927 nan 8.190 nan 0.000 0.423 135 c N 2.968 121.566 118.600 -0.004 0.000 2.634 135 c HA 0.992 5.559 4.570 -0.005 0.000 0.313 135 c C 0.663 174.682 174.090 -0.118 0.000 1.198 135 c CA -0.692 55.626 56.329 -0.019 0.000 1.605 135 c CB 1.288 43.803 42.510 0.008 0.000 2.196 135 c HN 1.121 nan 8.230 nan 0.000 0.486 136 G N 0.324 108.930 108.800 -0.324 0.000 2.612 136 G HA2 0.535 4.492 3.960 -0.005 0.000 0.298 136 G HA3 0.535 4.492 3.960 -0.005 0.000 0.298 136 G C 0.637 175.319 174.900 -0.364 0.000 1.336 136 G CA 0.318 45.158 45.100 -0.433 0.000 0.953 136 G HN 0.838 nan 8.290 nan 0.000 0.482 137 T N -0.829 113.572 114.554 -0.255 0.000 2.803 137 T HA -0.187 4.160 4.350 -0.005 0.000 0.269 137 T C 1.332 175.882 174.700 -0.251 0.000 1.052 137 T CA 1.303 63.255 62.100 -0.247 0.000 1.136 137 T CB -0.333 68.431 68.868 -0.173 0.000 0.864 137 T HN 1.180 nan 8.240 nan 0.000 0.467 138 N N 1.314 119.844 118.700 -0.284 0.000 2.714 138 N HA -0.218 4.520 4.740 -0.005 0.000 0.253 138 N C 0.354 175.826 175.510 -0.063 0.000 1.024 138 N CA 1.237 54.139 53.050 -0.247 0.000 0.726 138 N CB -1.730 36.605 38.487 -0.254 0.000 0.908 138 N HN 1.307 nan 8.380 nan 0.000 0.542 139 A N 0.490 123.317 122.820 0.013 0.000 2.610 139 A HA -0.161 4.156 4.320 -0.005 0.000 0.299 139 A C 0.937 178.753 177.584 0.388 0.000 1.487 139 A CA 1.144 53.297 52.037 0.193 0.000 0.743 139 A CB -2.459 16.605 19.000 0.107 0.000 1.070 139 A HN 1.423 nan 8.150 nan 0.000 0.439 140 F N -2.776 117.231 119.950 0.095 0.000 3.071 140 F HA -0.198 4.326 4.527 -0.005 0.000 0.295 140 F C 0.573 176.555 175.800 0.303 0.000 0.919 140 F CA 1.366 59.497 58.000 0.219 0.000 1.050 140 F CB -1.426 37.719 39.000 0.241 0.000 1.040 140 F HN 0.891 nan 8.300 nan 0.000 0.692 141 N N 0.372 119.142 118.700 0.116 0.000 2.700 141 N HA 0.255 4.993 4.740 -0.005 0.000 0.242 141 N C -2.910 172.498 175.510 -0.171 0.000 1.541 141 N CA -1.727 51.334 53.050 0.018 0.000 0.764 141 N CB 1.125 39.682 38.487 0.117 0.000 1.319 141 N HN -0.153 nan 8.380 nan 0.000 0.518 142 P HA 0.121 nan 4.420 nan 0.000 0.266 142 P C -0.691 176.505 177.300 -0.173 0.000 1.195 142 P CA 0.346 63.250 63.100 -0.327 0.000 0.768 142 P CB 0.879 32.311 31.700 -0.447 0.000 0.838 143 S N 1.262 116.894 115.700 -0.113 0.000 2.596 143 S HA 0.646 5.113 4.470 -0.005 0.000 0.270 143 S C -1.162 173.482 174.600 0.073 0.000 1.155 143 S CA -0.681 57.527 58.200 0.014 0.000 0.827 143 S CB 0.704 63.968 63.200 0.106 0.000 1.130 143 S HN 0.558 nan 8.310 nan 0.000 0.467 144 c N 0.831 119.407 118.600 -0.039 0.000 2.634 144 c HA 0.875 5.442 4.570 -0.005 0.000 0.313 144 c C -0.008 173.602 174.090 -0.800 0.000 1.198 144 c CA -0.709 55.441 56.329 -0.298 0.000 1.605 144 c CB 1.546 43.880 42.510 -0.294 0.000 2.196 144 c HN 0.986 nan 8.230 nan 0.000 0.486 145 R N 1.372 121.415 120.500 -0.761 0.000 2.836 145 R HA 0.477 4.815 4.340 -0.005 0.000 0.269 145 R C -1.245 174.626 176.300 -0.715 0.000 1.010 145 R CA -0.717 54.833 56.100 -0.916 0.000 0.930 145 R CB 1.410 31.134 30.300 -0.960 0.000 1.218 145 R HN 0.681 nan 8.270 nan 0.000 0.473 146 N N 1.208 119.489 118.700 -0.699 0.000 2.456 146 N HA 0.299 5.036 4.740 -0.005 0.000 0.288 146 N C -1.250 173.903 175.510 -0.596 0.000 1.059 146 N CA -0.015 52.727 53.050 -0.512 0.000 0.946 146 N CB 1.321 39.395 38.487 -0.690 0.000 1.150 146 N HN 0.335 nan 8.380 nan 0.000 0.479 147 Y N 0.295 120.517 120.300 -0.130 0.000 2.524 147 Y HA 0.374 4.921 4.550 -0.004 0.000 0.344 147 Y C 0.626 176.672 175.900 0.243 0.000 1.012 147 Y CA -0.883 57.245 58.100 0.047 0.000 1.068 147 Y CB 1.650 40.106 38.460 -0.006 0.000 1.249 147 Y HN 0.111 nan 8.280 nan 0.000 0.468 148 R N 1.207 121.956 120.500 0.415 0.000 2.357 148 R HA 0.266 4.603 4.340 -0.005 0.000 0.296 148 R C 0.591 177.014 176.300 0.205 0.000 1.052 148 R CA -0.283 55.974 56.100 0.261 0.000 0.988 148 R CB 1.273 31.648 30.300 0.125 0.000 1.025 148 R HN 0.603 nan 8.270 nan 0.000 0.469 149 V N 2.531 122.540 119.914 0.158 0.000 2.255 149 V HA -0.326 3.792 4.120 -0.005 0.000 0.247 149 V C 1.759 177.937 176.094 0.140 0.000 1.051 149 V CA 2.456 64.849 62.300 0.155 0.000 1.018 149 V CB -0.626 31.274 31.823 0.129 0.000 0.641 149 V HN 0.837 nan 8.190 nan 0.000 0.445 150 D N -0.591 119.867 120.400 0.096 0.000 2.097 150 D HA -0.181 4.457 4.640 -0.005 0.000 0.197 150 D C 2.054 178.397 176.300 0.071 0.000 0.984 150 D CA 1.875 55.917 54.000 0.070 0.000 0.826 150 D CB -0.791 40.035 40.800 0.042 0.000 0.973 150 D HN 0.396 nan 8.370 nan 0.000 0.460 151 T N -1.149 113.452 114.554 0.079 0.000 3.051 151 T HA 0.156 4.503 4.350 -0.005 0.000 0.255 151 T C 1.148 175.913 174.700 0.108 0.000 1.085 151 T CA 0.072 62.218 62.100 0.076 0.000 1.109 151 T CB -0.433 68.470 68.868 0.058 0.000 0.921 151 T HN 0.282 nan 8.240 nan 0.000 0.488 152 L N 1.504 122.818 121.223 0.152 0.000 4.001 152 L HA -0.188 4.149 4.340 -0.005 0.000 0.413 152 L C -0.059 176.977 176.870 0.276 0.000 1.185 152 L CA 0.701 55.652 54.840 0.186 0.000 0.963 152 L CB -1.770 40.353 42.059 0.108 0.000 1.976 152 L HN 0.626 nan 8.230 nan 0.000 0.939 153 E N -1.389 118.977 120.200 0.276 0.000 2.244 153 E HA 0.566 4.913 4.350 -0.005 0.000 0.266 153 E C 0.005 176.650 176.600 0.076 0.000 0.914 153 E CA -0.721 55.812 56.400 0.223 0.000 0.794 153 E CB 1.968 31.724 29.700 0.093 0.000 1.210 153 E HN 0.042 nan 8.360 nan 0.000 0.414 154 T N 1.476 115.836 114.554 -0.323 0.000 2.860 154 T HA 0.405 4.752 4.350 -0.005 0.000 0.299 154 T C -0.827 173.721 174.700 -0.254 0.000 1.045 154 T CA -0.374 61.249 62.100 -0.796 0.000 1.071 154 T CB -0.006 68.173 68.868 -1.148 0.000 0.985 154 T HN 0.443 nan 8.240 nan 0.000 0.537 155 F N 0.356 120.076 119.950 -0.383 0.000 2.608 155 F HA 0.689 5.213 4.527 -0.005 0.000 0.309 155 F C -0.093 175.596 175.800 -0.185 0.000 1.103 155 F CA -0.022 57.849 58.000 -0.215 0.000 0.954 155 F CB 0.869 39.793 39.000 -0.126 0.000 1.267 155 F HN 1.062 nan 8.300 nan 0.000 0.444 156 G N 2.154 110.909 108.800 -0.075 0.000 2.756 156 G HA2 0.021 3.978 3.960 -0.005 0.000 0.678 156 G HA3 0.021 3.978 3.960 -0.005 0.000 0.678 156 G C -1.567 173.230 174.900 -0.171 0.000 1.349 156 G CA -0.589 44.445 45.100 -0.110 0.000 0.847 156 G HN 1.006 nan 8.290 nan 0.000 0.548 157 D N 0.894 121.248 120.400 -0.077 0.000 2.362 157 D HA 0.347 4.984 4.640 -0.005 0.000 0.242 157 D C 0.994 177.189 176.300 -0.174 0.000 1.132 157 D CA 0.107 54.060 54.000 -0.078 0.000 0.907 157 D CB 0.615 41.427 40.800 0.021 0.000 1.195 157 D HN 0.595 nan 8.370 nan 0.000 0.429 158 E N -0.030 120.033 120.200 -0.230 0.000 2.418 158 E HA 0.263 4.610 4.350 -0.005 0.000 0.261 158 E C -0.437 176.075 176.600 -0.146 0.000 1.070 158 E CA 0.112 56.313 56.400 -0.333 0.000 0.931 158 E CB 0.420 29.999 29.700 -0.203 0.000 0.954 158 E HN 0.329 nan 8.360 nan 0.000 0.439 159 F N -1.402 118.525 119.950 -0.038 0.000 2.640 159 F HA 0.410 4.934 4.527 -0.005 0.000 0.324 159 F C 0.057 175.876 175.800 0.031 0.000 1.077 159 F CA -1.475 56.529 58.000 0.007 0.000 0.965 159 F CB 0.689 39.705 39.000 0.027 0.000 1.351 159 F HN 0.165 nan 8.300 nan 0.000 0.487 160 S N -0.175 115.699 115.700 0.290 0.000 2.537 160 S HA 0.355 4.822 4.470 -0.005 0.000 0.286 160 S C 0.993 175.693 174.600 0.167 0.000 1.299 160 S CA 0.185 58.480 58.200 0.158 0.000 1.067 160 S CB 0.207 63.475 63.200 0.114 0.000 0.864 160 S HN 1.089 nan 8.310 nan 0.000 0.494 161 G N 4.592 113.421 108.800 0.048 0.000 3.233 161 G HA2 0.122 4.079 3.960 -0.005 0.000 0.227 161 G HA3 0.122 4.079 3.960 -0.005 0.000 0.227 161 G C 0.416 175.276 174.900 -0.068 0.000 1.175 161 G CA -0.421 44.686 45.100 0.011 0.000 0.781 161 G HN 0.693 nan 8.290 nan 0.000 0.542 162 M N 1.337 120.897 119.600 -0.068 0.000 2.303 162 M HA 0.333 4.810 4.480 -0.005 0.000 0.350 162 M C 1.276 177.464 176.300 -0.186 0.000 1.518 162 M CA 0.797 56.035 55.300 -0.104 0.000 1.070 162 M CB 0.324 32.897 32.600 -0.044 0.000 1.910 162 M HN 0.440 nan 8.290 nan 0.000 0.458 163 A N 4.288 126.983 122.820 -0.209 0.000 3.153 163 A HA -0.263 4.055 4.320 -0.005 0.000 0.265 163 A C 1.146 178.600 177.584 -0.217 0.000 1.212 163 A CA 1.986 53.802 52.037 -0.368 0.000 1.018 163 A CB -1.380 17.039 19.000 -0.968 0.000 1.130 163 A HN 0.963 nan 8.150 nan 0.000 0.873 164 R N -2.485 117.980 120.500 -0.058 0.000 2.369 164 R HA 0.400 4.737 4.340 -0.005 0.000 0.210 164 R C 0.349 176.685 176.300 0.059 0.000 0.881 164 R CA 0.961 57.108 56.100 0.078 0.000 1.031 164 R CB 1.128 31.549 30.300 0.201 0.000 1.184 164 R HN 0.894 nan 8.270 nan 0.000 0.581 165 C N 1.217 120.512 119.300 -0.010 0.000 3.090 165 C HA 0.516 4.974 4.460 -0.005 0.000 0.347 165 C C -2.664 172.267 174.990 -0.098 0.000 1.147 165 C CA -2.277 56.718 59.018 -0.039 0.000 1.305 165 C CB 1.996 29.702 27.740 -0.057 0.000 1.692 165 C HN 0.108 nan 8.230 nan 0.000 0.506 166 P HA 0.229 nan 4.420 nan 0.000 0.274 166 P C -0.360 176.808 177.300 -0.220 0.000 1.246 166 P CA 0.179 63.243 63.100 -0.060 0.000 0.795 166 P CB 0.694 32.386 31.700 -0.013 0.000 1.006 167 Y N -1.338 118.766 120.300 -0.326 0.000 2.314 167 Y HA 0.048 4.596 4.550 -0.005 0.000 0.294 167 Y C 1.370 176.565 175.900 -1.175 0.000 1.119 167 Y CA 1.149 58.918 58.100 -0.551 0.000 1.179 167 Y CB 0.042 38.268 38.460 -0.390 0.000 1.025 167 Y HN 0.265 nan 8.280 nan 0.000 0.541 168 D N -0.442 119.428 120.400 -0.884 0.000 2.256 168 D HA 0.358 4.995 4.640 -0.005 0.000 0.240 168 D C 0.784 176.726 176.300 -0.597 0.000 1.062 168 D CA 0.119 53.492 54.000 -1.046 0.000 0.832 168 D CB 2.017 42.193 40.800 -1.040 0.000 1.135 168 D HN 0.137 nan 8.370 nan 0.000 0.484 169 A N 4.457 126.961 122.820 -0.527 0.000 1.972 169 A HA -0.147 4.170 4.320 -0.005 0.000 0.219 169 A C 1.738 179.154 177.584 -0.280 0.000 1.169 169 A CA 1.203 52.954 52.037 -0.476 0.000 0.635 169 A CB -0.191 18.169 19.000 -1.067 0.000 0.810 169 A HN 0.642 nan 8.150 nan 0.000 0.446 170 K N -0.362 119.927 120.400 -0.184 0.000 2.504 170 K HA -0.004 4.314 4.320 -0.005 0.000 0.195 170 K C -0.067 176.638 176.600 0.175 0.000 1.036 170 K CA 0.212 56.501 56.287 0.004 0.000 0.984 170 K CB -0.126 32.410 32.500 0.059 0.000 0.788 170 K HN 0.693 nan 8.250 nan 0.000 0.488 171 H N -0.116 118.918 119.070 -0.061 0.000 2.562 171 H HA 0.310 4.864 4.556 -0.004 0.000 0.352 171 H C -0.263 175.019 175.328 -0.077 0.000 1.125 171 H CA -0.945 55.078 56.048 -0.041 0.000 1.379 171 H CB 1.216 30.952 29.762 -0.044 0.000 1.464 171 H HN 0.098 nan 8.280 nan 0.000 0.563 172 A N 3.572 126.334 122.820 -0.095 0.000 2.309 172 A HA 0.249 4.566 4.320 -0.005 0.000 0.298 172 A C -0.088 177.472 177.584 -0.039 0.000 1.165 172 A CA -0.748 51.184 52.037 -0.174 0.000 0.821 172 A CB 0.317 18.976 19.000 -0.567 0.000 1.102 172 A HN 0.891 nan 8.150 nan 0.000 0.500 173 N N 1.204 119.925 118.700 0.035 0.000 2.416 173 N HA 0.577 5.314 4.740 -0.005 0.000 0.276 173 N C -1.672 173.886 175.510 0.079 0.000 1.261 173 N CA -0.516 52.585 53.050 0.085 0.000 0.790 173 N CB 1.485 40.007 38.487 0.059 0.000 1.554 173 N HN 0.413 nan 8.380 nan 0.000 0.481 174 I N 0.203 120.806 120.570 0.055 0.000 2.509 174 I HA 0.684 4.851 4.170 -0.005 0.000 0.293 174 I C -0.563 175.600 176.117 0.077 0.000 1.020 174 I CA -0.736 60.616 61.300 0.087 0.000 1.088 174 I CB 1.924 40.007 38.000 0.138 0.000 1.267 174 I HN 0.846 nan 8.210 nan 0.000 0.430 175 A N 6.350 129.221 122.820 0.085 0.000 2.455 175 A HA 0.906 5.223 4.320 -0.005 0.000 0.300 175 A C -1.830 175.780 177.584 0.044 0.000 1.040 175 A CA -0.406 51.670 52.037 0.064 0.000 0.697 175 A CB 1.825 20.865 19.000 0.066 0.000 1.265 175 A HN 0.540 nan 8.150 nan 0.000 0.407 176 L N 1.255 122.478 121.223 0.001 0.000 2.545 176 L HA 0.734 5.071 4.340 -0.005 0.000 0.258 176 L C -1.870 174.983 176.870 -0.028 0.000 0.942 176 L CA -0.271 54.583 54.840 0.024 0.000 0.855 176 L CB 1.542 43.617 42.059 0.028 0.000 1.374 176 L HN 0.660 nan 8.230 nan 0.000 0.411 177 F N 3.135 123.145 119.950 0.100 0.000 2.399 177 F HA 0.825 5.349 4.527 -0.004 0.000 0.334 177 F C 0.439 176.315 175.800 0.127 0.000 1.097 177 F CA 0.076 58.134 58.000 0.097 0.000 1.076 177 F CB 2.033 41.041 39.000 0.013 0.000 1.162 177 F HN 0.633 nan 8.300 nan 0.000 0.495 178 A N 2.152 125.222 122.820 0.416 0.000 2.513 178 A HA 0.420 4.738 4.320 -0.005 0.000 0.296 178 A C -0.754 176.987 177.584 0.261 0.000 1.052 178 A CA -0.848 51.353 52.037 0.273 0.000 0.714 178 A CB 0.729 19.834 19.000 0.176 0.000 1.279 178 A HN 0.841 nan 8.150 nan 0.000 0.397 179 D N 1.598 122.089 120.400 0.153 0.000 2.782 179 D HA -0.255 4.382 4.640 -0.005 0.000 0.231 179 D C 1.218 177.578 176.300 0.101 0.000 1.163 179 D CA 2.744 56.805 54.000 0.101 0.000 0.680 179 D CB -1.194 39.658 40.800 0.085 0.000 1.062 179 D HN 2.189 nan 8.370 nan 0.000 0.425 180 G N -0.657 108.223 108.800 0.134 0.000 2.199 180 G HA2 -0.355 3.602 3.960 -0.005 0.000 0.254 180 G HA3 -0.355 3.602 3.960 -0.005 0.000 0.254 180 G C 0.261 175.312 174.900 0.252 0.000 0.982 180 G CA 0.644 45.810 45.100 0.110 0.000 0.632 180 G HN 0.485 nan 8.290 nan 0.000 0.529 181 K N 0.033 120.564 120.400 0.218 0.000 2.172 181 K HA 0.631 4.948 4.320 -0.005 0.000 0.276 181 K C -0.327 176.202 176.600 -0.118 0.000 1.013 181 K CA -0.895 55.386 56.287 -0.010 0.000 0.913 181 K CB 2.051 34.433 32.500 -0.196 0.000 1.055 181 K HN 0.135 nan 8.250 nan 0.000 0.461 182 L N 3.827 124.800 121.223 -0.417 0.000 2.265 182 L HA 0.265 4.603 4.340 -0.005 0.000 0.288 182 L C -1.489 175.109 176.870 -0.454 0.000 1.058 182 L CA -0.098 54.313 54.840 -0.716 0.000 0.809 182 L CB 0.020 41.568 42.059 -0.852 0.000 1.179 182 L HN 0.420 nan 8.230 nan 0.000 0.429 183 Y N 3.828 124.031 120.300 -0.162 0.000 2.331 183 Y HA 0.601 5.149 4.550 -0.004 0.000 0.338 183 Y C 0.461 176.419 175.900 0.097 0.000 0.976 183 Y CA -0.327 57.827 58.100 0.090 0.000 1.137 183 Y CB 1.562 40.145 38.460 0.204 0.000 1.172 183 Y HN 0.708 nan 8.280 nan 0.000 0.478 184 S N 1.648 117.498 115.700 0.249 0.000 2.570 184 S HA 0.960 5.428 4.470 -0.005 0.000 0.286 184 S C -0.998 173.595 174.600 -0.011 0.000 1.099 184 S CA -0.983 57.298 58.200 0.135 0.000 0.913 184 S CB 2.158 65.423 63.200 0.109 0.000 1.085 184 S HN 0.801 nan 8.310 nan 0.000 0.480 185 A N 1.081 123.771 122.820 -0.217 0.000 2.414 185 A HA 0.886 5.203 4.320 -0.005 0.000 0.286 185 A C -0.196 177.068 177.584 -0.533 0.000 1.073 185 A CA -0.410 51.170 52.037 -0.762 0.000 0.727 185 A CB 1.353 19.448 19.000 -1.509 0.000 1.215 185 A HN 1.234 nan 8.150 nan 0.000 0.430 186 T N 0.106 114.546 114.554 -0.191 0.000 2.676 186 T HA 0.539 4.886 4.350 -0.005 0.000 0.299 186 T C -1.379 173.442 174.700 0.203 0.000 1.657 186 T CA 0.459 62.648 62.100 0.148 0.000 0.985 186 T CB 0.495 69.399 68.868 0.061 0.000 1.926 186 T HN 1.827 nan 8.240 nan 0.000 0.456 187 V N 1.215 121.237 119.914 0.179 0.000 2.630 187 V HA 0.722 4.840 4.120 -0.005 0.000 0.305 187 V C 1.437 177.618 176.094 0.147 0.000 1.046 187 V CA 0.368 62.761 62.300 0.155 0.000 0.934 187 V CB 0.929 32.855 31.823 0.172 0.000 1.003 187 V HN 1.133 nan 8.190 nan 0.000 0.451 188 T N -1.017 113.590 114.554 0.088 0.000 3.067 188 T HA 0.043 4.390 4.350 -0.005 0.000 0.261 188 T C 0.398 175.246 174.700 0.247 0.000 1.110 188 T CA 0.759 62.918 62.100 0.100 0.000 1.113 188 T CB -0.460 68.393 68.868 -0.025 0.000 0.917 188 T HN 0.958 nan 8.240 nan 0.000 0.499 189 D N -0.364 120.108 120.400 0.120 0.000 2.299 189 D HA 0.209 4.846 4.640 -0.005 0.000 0.243 189 D C 0.593 176.528 176.300 -0.609 0.000 0.982 189 D CA -1.352 52.601 54.000 -0.078 0.000 0.924 189 D CB 1.116 41.916 40.800 0.001 0.000 1.238 189 D HN 0.025 nan 8.370 nan 0.000 0.484 190 F N 0.548 119.952 119.950 -0.910 0.000 2.126 190 F HA -0.107 4.417 4.527 -0.004 0.000 0.299 190 F C 1.758 177.351 175.800 -0.345 0.000 1.096 190 F CA 1.357 58.822 58.000 -0.892 0.000 1.255 190 F CB 0.029 38.804 39.000 -0.374 0.000 0.997 190 F HN 0.279 nan 8.300 nan 0.000 0.479 191 L N 0.229 121.471 121.223 0.031 0.000 2.395 191 L HA 0.112 4.449 4.340 -0.005 0.000 0.218 191 L C 1.447 178.330 176.870 0.022 0.000 1.130 191 L CA 0.610 55.490 54.840 0.067 0.000 0.826 191 L CB -0.744 41.376 42.059 0.101 0.000 0.941 191 L HN 0.288 nan 8.230 nan 0.000 0.451 192 A N -0.287 122.527 122.820 -0.010 0.000 3.002 192 A HA -0.188 4.130 4.320 -0.005 0.000 0.272 192 A C 0.992 178.621 177.584 0.074 0.000 1.421 192 A CA 0.627 52.708 52.037 0.072 0.000 0.766 192 A CB -1.900 17.221 19.000 0.201 0.000 1.034 192 A HN 0.261 nan 8.150 nan 0.000 0.541 193 I N -0.338 120.276 120.570 0.073 0.000 3.339 193 I HA 0.087 4.254 4.170 -0.005 0.000 0.285 193 I C 1.111 177.303 176.117 0.126 0.000 1.201 193 I CA 1.305 62.659 61.300 0.091 0.000 1.434 193 I CB -0.382 37.672 38.000 0.091 0.000 1.152 193 I HN 0.514 nan 8.210 nan 0.000 0.443 194 D N 2.604 123.071 120.400 0.112 0.000 2.741 194 D HA 0.290 4.927 4.640 -0.005 0.000 0.233 194 D C 0.298 176.622 176.300 0.041 0.000 1.160 194 D CA -0.141 53.893 54.000 0.057 0.000 1.003 194 D CB 0.033 40.823 40.800 -0.017 0.000 1.064 194 D HN 0.131 nan 8.370 nan 0.000 0.503 195 A N 1.526 124.386 122.820 0.067 0.000 2.511 195 A HA 0.413 4.730 4.320 -0.005 0.000 0.242 195 A C -0.059 177.585 177.584 0.100 0.000 1.069 195 A CA -0.179 51.925 52.037 0.112 0.000 0.763 195 A CB 0.722 19.765 19.000 0.072 0.000 1.001 195 A HN 0.387 nan 8.150 nan 0.000 0.498 196 V N 3.832 123.823 119.914 0.129 0.000 3.049 196 V HA 0.620 4.737 4.120 -0.005 0.000 0.309 196 V C -0.852 175.192 176.094 -0.083 0.000 1.148 196 V CA -0.752 61.562 62.300 0.023 0.000 0.990 196 V CB 2.017 33.820 31.823 -0.033 0.000 1.039 196 V HN 0.764 nan 8.190 nan 0.000 0.430 197 I N 5.584 126.086 120.570 -0.113 0.000 2.378 197 I HA 0.485 4.653 4.170 -0.005 0.000 0.291 197 I C -1.233 175.036 176.117 0.254 0.000 0.992 197 I CA -0.488 60.672 61.300 -0.234 0.000 1.154 197 I CB 1.609 39.216 38.000 -0.655 0.000 1.315 197 I HN 0.699 nan 8.210 nan 0.000 0.448 198 Y N 6.155 126.505 120.300 0.084 0.000 2.545 198 Y HA 0.640 5.187 4.550 -0.005 0.000 0.348 198 Y C -0.778 175.207 175.900 0.141 0.000 1.002 198 Y CA -0.936 57.223 58.100 0.098 0.000 1.039 198 Y CB 1.971 40.415 38.460 -0.027 0.000 1.271 198 Y HN 0.444 nan 8.280 nan 0.000 0.467 199 R N 3.261 123.424 120.500 -0.562 0.000 2.564 199 R HA 0.617 4.954 4.340 -0.005 0.000 0.284 199 R C -1.731 174.057 176.300 -0.852 0.000 1.031 199 R CA -0.347 55.382 56.100 -0.619 0.000 0.904 199 R CB 1.704 31.674 30.300 -0.551 0.000 1.199 199 R HN 0.850 nan 8.270 nan 0.000 0.443 200 S N 3.065 118.406 115.700 -0.599 0.000 2.671 200 S HA 0.691 5.159 4.470 -0.005 0.000 0.277 200 S C -0.363 174.060 174.600 -0.294 0.000 1.165 200 S CA -0.745 57.191 58.200 -0.439 0.000 0.822 200 S CB 1.295 64.312 63.200 -0.305 0.000 1.150 200 S HN 0.671 nan 8.310 nan 0.000 0.479 201 L N -0.651 120.444 121.223 -0.213 0.000 5.532 201 L HA -0.005 4.332 4.340 -0.005 0.000 0.285 201 L C 1.149 177.951 176.870 -0.113 0.000 1.086 201 L CA 0.577 55.333 54.840 -0.141 0.000 1.234 201 L CB -1.560 40.448 42.059 -0.083 0.000 2.011 201 L HN 2.108 nan 8.230 nan 0.000 0.838 202 G N -0.329 108.442 108.800 -0.049 0.000 2.203 202 G HA2 -0.237 3.720 3.960 -0.005 0.000 0.263 202 G HA3 -0.237 3.720 3.960 -0.005 0.000 0.263 202 G C 0.404 175.272 174.900 -0.053 0.000 1.012 202 G CA 1.436 46.517 45.100 -0.031 0.000 0.749 202 G HN 1.253 nan 8.290 nan 0.000 0.512 203 D N -1.513 118.847 120.400 -0.067 0.000 3.039 203 D HA -0.181 4.456 4.640 -0.005 0.000 0.222 203 D C 0.674 176.927 176.300 -0.078 0.000 1.179 203 D CA 1.690 55.650 54.000 -0.067 0.000 0.880 203 D CB -1.209 39.563 40.800 -0.047 0.000 1.115 203 D HN 0.805 nan 8.370 nan 0.000 0.416 204 S N -0.403 115.235 115.700 -0.103 0.000 2.704 204 S HA 0.735 5.202 4.470 -0.005 0.000 0.305 204 S C -2.213 172.290 174.600 -0.161 0.000 1.107 204 S CA -1.146 56.982 58.200 -0.119 0.000 0.993 204 S CB 1.980 65.110 63.200 -0.118 0.000 1.110 204 S HN -0.002 nan 8.310 nan 0.000 0.534 205 P HA 0.185 nan 4.420 nan 0.000 0.270 205 P C -0.726 176.394 177.300 -0.299 0.000 1.227 205 P CA -0.077 62.898 63.100 -0.207 0.000 0.788 205 P CB 0.196 31.778 31.700 -0.196 0.000 0.926 206 T N 1.899 116.264 114.554 -0.315 0.000 2.767 206 T HA 0.527 4.874 4.350 -0.005 0.000 0.284 206 T C -0.248 174.150 174.700 -0.504 0.000 0.973 206 T CA -0.287 61.549 62.100 -0.439 0.000 0.996 206 T CB -0.110 68.565 68.868 -0.321 0.000 0.927 206 T HN 0.141 nan 8.240 nan 0.000 0.456 207 L N 4.427 125.202 121.223 -0.747 0.000 2.381 207 L HA 0.752 5.089 4.340 -0.005 0.000 0.268 207 L C 0.001 176.382 176.870 -0.815 0.000 0.997 207 L CA -1.199 53.107 54.840 -0.889 0.000 0.818 207 L CB 2.120 43.341 42.059 -1.396 0.000 1.310 207 L HN 0.621 nan 8.230 nan 0.000 0.416 208 R N -0.439 119.736 120.500 -0.542 0.000 2.808 208 R HA 0.666 5.003 4.340 -0.005 0.000 0.272 208 R C -0.798 175.497 176.300 -0.008 0.000 0.995 208 R CA -0.787 55.241 56.100 -0.119 0.000 0.917 208 R CB 1.394 31.742 30.300 0.079 0.000 1.217 208 R HN 0.556 nan 8.270 nan 0.000 0.471 209 T N -0.443 114.243 114.554 0.220 0.000 2.930 209 T HA 0.151 4.498 4.350 -0.005 0.000 0.306 209 T C 0.691 175.143 174.700 -0.414 0.000 1.045 209 T CA -0.778 61.333 62.100 0.018 0.000 1.134 209 T CB 0.825 69.675 68.868 -0.029 0.000 0.961 209 T HN 0.333 nan 8.240 nan 0.000 0.545 210 V N 3.475 122.748 119.914 -1.068 0.000 2.509 210 V HA 0.032 4.150 4.120 -0.005 0.000 0.297 210 V C 1.142 176.934 176.094 -0.504 0.000 1.014 210 V CA -0.063 61.724 62.300 -0.855 0.000 1.127 210 V CB -0.132 30.991 31.823 -1.168 0.000 0.925 210 V HN 0.879 nan 8.190 nan 0.000 0.480 211 K N 4.915 125.096 120.400 -0.364 0.000 2.451 211 K HA -0.011 4.306 4.320 -0.005 0.000 0.280 211 K C 0.716 177.146 176.600 -0.285 0.000 1.020 211 K CA -0.069 55.995 56.287 -0.372 0.000 1.008 211 K CB -0.017 32.237 32.500 -0.411 0.000 0.917 211 K HN 0.894 nan 8.250 nan 0.000 0.478 212 H N 0.261 119.284 119.070 -0.078 0.000 3.047 212 H HA -0.219 4.334 4.556 -0.005 0.000 0.263 212 H C -0.626 174.683 175.328 -0.032 0.000 1.168 212 H CA 1.109 57.132 56.048 -0.042 0.000 1.152 212 H CB -1.321 28.421 29.762 -0.034 0.000 1.278 212 H HN 0.664 nan 8.280 nan 0.000 0.339 213 D N 0.899 121.313 120.400 0.023 0.000 2.347 213 D HA 0.184 4.821 4.640 -0.005 0.000 0.235 213 D C 1.135 177.533 176.300 0.163 0.000 1.149 213 D CA 0.585 54.618 54.000 0.054 0.000 0.850 213 D CB 0.674 41.420 40.800 -0.090 0.000 1.061 213 D HN 0.310 nan 8.370 nan 0.000 0.487 214 S N 3.103 118.902 115.700 0.165 0.000 2.607 214 S HA -0.012 4.455 4.470 -0.005 0.000 0.224 214 S C 1.377 176.109 174.600 0.220 0.000 0.969 214 S CA 0.301 58.603 58.200 0.170 0.000 0.927 214 S CB 0.151 63.422 63.200 0.119 0.000 0.772 214 S HN 0.384 nan 8.310 nan 0.000 0.533 215 K N -0.254 120.322 120.400 0.293 0.000 2.167 215 K HA 0.066 4.383 4.320 -0.005 0.000 0.203 215 K C 1.385 178.220 176.600 0.392 0.000 1.052 215 K CA 1.019 57.498 56.287 0.319 0.000 0.956 215 K CB -0.108 32.590 32.500 0.330 0.000 0.735 215 K HN 0.448 nan 8.250 nan 0.000 0.451 216 W N 0.955 122.371 121.300 0.193 0.000 2.452 216 W HA 0.139 4.796 4.660 -0.005 0.000 0.313 216 W C 0.443 177.121 176.519 0.264 0.000 1.176 216 W CA 0.435 57.943 57.345 0.271 0.000 1.350 216 W CB -0.005 29.487 29.460 0.054 0.000 1.148 216 W HN -0.149 nan 8.180 nan 0.000 0.498 217 L N -0.017 121.433 121.223 0.378 0.000 2.455 217 L HA 0.385 4.722 4.340 -0.005 0.000 0.264 217 L C -0.497 176.472 176.870 0.165 0.000 0.968 217 L CA -0.911 54.073 54.840 0.241 0.000 0.827 217 L CB 2.376 44.509 42.059 0.122 0.000 1.317 217 L HN -0.373 nan 8.230 nan 0.000 0.407 218 K N 2.926 123.407 120.400 0.134 0.000 2.621 218 K HA 0.325 4.642 4.320 -0.005 0.000 0.233 218 K C -0.705 175.919 176.600 0.040 0.000 0.972 218 K CA -0.341 55.995 56.287 0.081 0.000 0.988 218 K CB 0.760 33.303 32.500 0.071 0.000 1.187 218 K HN 0.634 nan 8.250 nan 0.000 0.471 219 E N 1.856 122.064 120.200 0.013 0.000 2.252 219 E HA -0.168 4.179 4.350 -0.005 0.000 0.218 219 E C -2.313 174.258 176.600 -0.049 0.000 1.253 219 E CA 0.036 56.424 56.400 -0.020 0.000 0.705 219 E CB -0.933 28.760 29.700 -0.011 0.000 1.172 219 E HN 0.517 nan 8.360 nan 0.000 0.369 220 P HA 0.019 nan 4.420 nan 0.000 0.274 220 P C -0.970 176.132 177.300 -0.330 0.000 1.246 220 P CA 0.118 63.083 63.100 -0.224 0.000 0.795 220 P CB 0.465 31.808 31.700 -0.595 0.000 1.006 221 Y N 1.175 121.282 120.300 -0.322 0.000 2.327 221 Y HA 0.430 4.978 4.550 -0.004 0.000 0.325 221 Y C -1.025 174.821 175.900 -0.091 0.000 0.999 221 Y CA -1.075 56.884 58.100 -0.234 0.000 1.195 221 Y CB 0.536 38.949 38.460 -0.078 0.000 1.132 221 Y HN 0.063 nan 8.280 nan 0.000 0.455 222 F N 5.523 125.409 119.950 -0.106 0.000 2.427 222 F HA 0.294 4.819 4.527 -0.004 0.000 0.352 222 F C 0.543 176.361 175.800 0.030 0.000 1.100 222 F CA -0.145 57.881 58.000 0.042 0.000 1.191 222 F CB 0.992 39.980 39.000 -0.020 0.000 1.128 222 F HN 0.372 nan 8.300 nan 0.000 0.533 223 V N 0.713 120.879 119.914 0.421 0.000 2.996 223 V HA 0.175 4.293 4.120 -0.005 0.000 0.235 223 V C -0.336 175.901 176.094 0.237 0.000 1.205 223 V CA 0.312 62.786 62.300 0.290 0.000 1.225 223 V CB 0.509 32.502 31.823 0.282 0.000 0.995 223 V HN 0.698 nan 8.190 nan 0.000 0.484 224 Q N -0.811 119.180 119.800 0.318 0.000 2.503 224 Q HA 0.670 5.008 4.340 -0.005 0.000 0.268 224 Q C -1.497 174.706 176.000 0.338 0.000 0.982 224 Q CA 0.321 56.260 55.803 0.228 0.000 0.907 224 Q CB 1.936 30.706 28.738 0.054 0.000 1.467 224 Q HN 0.411 nan 8.270 nan 0.000 0.394 225 A N 2.088 125.010 122.820 0.170 0.000 2.374 225 A HA 0.937 5.254 4.320 -0.005 0.000 0.317 225 A C -1.312 176.269 177.584 -0.005 0.000 1.094 225 A CA -0.559 51.474 52.037 -0.007 0.000 0.765 225 A CB 1.883 20.711 19.000 -0.286 0.000 1.268 225 A HN 0.546 nan 8.150 nan 0.000 0.438 226 V N 1.669 121.576 119.914 -0.012 0.000 2.760 226 V HA 0.335 4.452 4.120 -0.005 0.000 0.309 226 V C -1.146 174.971 176.094 0.039 0.000 1.077 226 V CA -0.693 61.655 62.300 0.079 0.000 0.910 226 V CB 2.103 34.064 31.823 0.230 0.000 1.008 226 V HN 0.987 nan 8.190 nan 0.000 0.424 227 D N 3.052 123.488 120.400 0.061 0.000 2.280 227 D HA 0.374 5.011 4.640 -0.005 0.000 0.243 227 D C -1.575 174.879 176.300 0.257 0.000 1.129 227 D CA 0.167 54.208 54.000 0.068 0.000 0.848 227 D CB 1.042 41.864 40.800 0.036 0.000 1.107 227 D HN 0.494 nan 8.370 nan 0.000 0.471 228 Y N 2.815 123.192 120.300 0.129 0.000 2.424 228 Y HA 0.395 4.943 4.550 -0.004 0.000 0.323 228 Y C 0.467 176.513 175.900 0.244 0.000 1.174 228 Y CA 0.458 58.682 58.100 0.207 0.000 1.060 228 Y CB 1.127 39.761 38.460 0.291 0.000 1.314 228 Y HN 0.670 nan 8.280 nan 0.000 0.439 229 G N 4.255 112.839 108.800 -0.360 0.000 2.574 229 G HA2 -0.316 3.641 3.960 -0.005 0.000 0.286 229 G HA3 -0.316 3.641 3.960 -0.005 0.000 0.286 229 G C 0.132 174.984 174.900 -0.080 0.000 1.212 229 G CA 0.637 45.634 45.100 -0.173 0.000 0.979 229 G HN 0.677 nan 8.290 nan 0.000 0.557 230 D N 0.670 120.998 120.400 -0.120 0.000 2.358 230 D HA 0.332 4.969 4.640 -0.005 0.000 0.224 230 D C 0.005 175.983 176.300 -0.537 0.000 1.123 230 D CA 0.600 54.401 54.000 -0.332 0.000 0.833 230 D CB 0.155 40.704 40.800 -0.419 0.000 0.946 230 D HN 0.351 nan 8.370 nan 0.000 0.505 231 Y N -0.056 120.158 120.300 -0.143 0.000 2.570 231 Y HA 0.394 4.942 4.550 -0.004 0.000 0.345 231 Y C 0.242 175.889 175.900 -0.423 0.000 1.014 231 Y CA -1.251 56.636 58.100 -0.356 0.000 1.063 231 Y CB 1.853 39.884 38.460 -0.714 0.000 1.272 231 Y HN -0.253 nan 8.280 nan 0.000 0.477 232 I N 2.417 122.763 120.570 -0.373 0.000 2.354 232 I HA 0.215 4.382 4.170 -0.005 0.000 0.292 232 I C -1.078 174.656 176.117 -0.639 0.000 0.989 232 I CA -1.326 59.648 61.300 -0.544 0.000 1.188 232 I CB 0.587 38.063 38.000 -0.873 0.000 1.342 232 I HN 0.543 nan 8.210 nan 0.000 0.457 233 Y N 5.866 125.982 120.300 -0.306 0.000 2.328 233 Y HA 0.464 5.011 4.550 -0.004 0.000 0.337 233 Y C -0.184 175.501 175.900 -0.357 0.000 1.008 233 Y CA -0.402 57.534 58.100 -0.274 0.000 1.129 233 Y CB 1.204 39.566 38.460 -0.163 0.000 1.185 233 Y HN 0.290 nan 8.280 nan 0.000 0.476 234 F N 3.323 123.281 119.950 0.013 0.000 2.450 234 F HA 0.574 5.098 4.527 -0.005 0.000 0.332 234 F C -0.752 175.104 175.800 0.094 0.000 1.093 234 F CA -0.958 57.151 58.000 0.182 0.000 1.003 234 F CB 0.990 40.130 39.000 0.234 0.000 1.151 234 F HN 0.245 nan 8.300 nan 0.000 0.474 235 F N 3.540 123.794 119.950 0.507 0.000 2.507 235 F HA 0.683 5.207 4.527 -0.005 0.000 0.325 235 F C -0.531 175.558 175.800 0.481 0.000 1.116 235 F CA -1.036 57.144 58.000 0.301 0.000 0.930 235 F CB 1.613 40.674 39.000 0.102 0.000 1.146 235 F HN 0.377 nan 8.300 nan 0.000 0.447 236 F N 0.314 120.465 119.950 0.335 0.000 2.770 236 F HA 0.675 5.200 4.527 -0.004 0.000 0.313 236 F C -1.676 174.231 175.800 0.177 0.000 1.154 236 F CA -1.697 56.468 58.000 0.275 0.000 0.923 236 F CB 1.399 40.587 39.000 0.314 0.000 1.301 236 F HN 0.429 nan 8.300 nan 0.000 0.449 237 R N 1.026 121.702 120.500 0.294 0.000 2.664 237 R HA 0.816 5.153 4.340 -0.005 0.000 0.286 237 R C -1.357 175.082 176.300 0.231 0.000 0.967 237 R CA -0.552 55.637 56.100 0.148 0.000 0.933 237 R CB 2.543 32.893 30.300 0.083 0.000 1.146 237 R HN 0.975 nan 8.270 nan 0.000 0.468 238 E N 2.181 122.472 120.200 0.151 0.000 2.458 238 E HA 0.347 4.695 4.350 -0.005 0.000 0.278 238 E C -1.009 175.607 176.600 0.027 0.000 1.004 238 E CA -1.043 55.436 56.400 0.131 0.000 0.823 238 E CB 1.210 31.058 29.700 0.248 0.000 1.396 238 E HN 0.486 nan 8.360 nan 0.000 0.463 239 I N 1.351 121.914 120.570 -0.012 0.000 2.556 239 I HA 0.235 4.402 4.170 -0.005 0.000 0.284 239 I C 0.222 176.252 176.117 -0.146 0.000 1.114 239 I CA -0.222 61.021 61.300 -0.094 0.000 1.418 239 I CB 0.998 38.953 38.000 -0.075 0.000 1.394 239 I HN 0.601 nan 8.210 nan 0.000 0.552 240 A N 6.257 128.882 122.820 -0.324 0.000 2.347 240 A HA 0.318 4.635 4.320 -0.005 0.000 0.287 240 A C 1.077 178.455 177.584 -0.344 0.000 1.199 240 A CA -0.540 51.208 52.037 -0.483 0.000 0.851 240 A CB 0.433 18.693 19.000 -1.233 0.000 1.118 240 A HN 0.787 nan 8.150 nan 0.000 0.525 241 V N 1.033 120.768 119.914 -0.298 0.000 2.809 241 V HA -0.117 4.000 4.120 -0.005 0.000 0.256 241 V C 1.462 177.257 176.094 -0.499 0.000 1.080 241 V CA 2.086 64.222 62.300 -0.272 0.000 1.102 241 V CB -0.979 30.720 31.823 -0.207 0.000 0.705 241 V HN 0.786 nan 8.190 nan 0.000 0.475 242 E N -0.227 119.529 120.200 -0.741 0.000 2.274 242 E HA -0.010 4.338 4.350 -0.005 0.000 0.194 242 E C 1.070 177.505 176.600 -0.275 0.000 0.996 242 E CA 1.082 56.976 56.400 -0.844 0.000 0.840 242 E CB -0.193 29.206 29.700 -0.503 0.000 0.772 242 E HN 0.840 nan 8.360 nan 0.000 0.491 243 Y N 1.681 121.750 120.300 -0.385 0.000 2.480 243 Y HA 0.161 4.707 4.550 -0.006 0.000 0.356 243 Y C 0.586 176.352 175.900 -0.223 0.000 0.922 243 Y CA -0.807 57.120 58.100 -0.287 0.000 1.146 243 Y CB 0.292 38.465 38.460 -0.478 0.000 1.185 243 Y HN 0.016 nan 8.280 nan 0.000 0.624 244 N N -0.309 118.445 118.700 0.091 0.000 2.268 244 N HA -0.050 4.688 4.740 -0.005 0.000 0.204 244 N C 0.896 176.459 175.510 0.087 0.000 1.124 244 N CA 0.723 53.808 53.050 0.059 0.000 0.838 244 N CB -0.045 38.474 38.487 0.053 0.000 0.994 244 N HN 0.508 nan 8.380 nan 0.000 0.489 245 T N -0.289 114.346 114.554 0.134 0.000 3.374 245 T HA 0.025 4.372 4.350 -0.005 0.000 0.212 245 T C 0.953 175.712 174.700 0.097 0.000 0.981 245 T CA 0.246 62.408 62.100 0.103 0.000 2.269 245 T CB -0.502 68.417 68.868 0.085 0.000 1.403 245 T HN -0.009 nan 8.240 nan 0.000 0.350 246 M N 2.676 122.356 119.600 0.133 0.000 3.300 246 M HA 0.396 4.874 4.480 -0.005 0.000 0.237 246 M C 1.051 177.360 176.300 0.016 0.000 1.613 246 M CA 0.877 56.225 55.300 0.081 0.000 1.690 246 M CB -1.501 31.161 32.600 0.104 0.000 1.288 246 M HN 1.007 nan 8.290 nan 0.000 0.520 247 G N 1.312 110.108 108.800 -0.007 0.000 2.829 247 G HA2 -0.235 3.722 3.960 -0.005 0.000 0.628 247 G HA3 -0.235 3.722 3.960 -0.005 0.000 0.628 247 G C -0.505 174.339 174.900 -0.093 0.000 1.412 247 G CA -0.634 44.435 45.100 -0.051 0.000 0.864 247 G HN 0.837 nan 8.290 nan 0.000 0.544 248 K N -0.522 119.817 120.400 -0.102 0.000 2.412 248 K HA 0.481 4.799 4.320 -0.005 0.000 0.284 248 K C -0.109 176.364 176.600 -0.212 0.000 1.046 248 K CA -0.466 55.741 56.287 -0.134 0.000 0.999 248 K CB 0.558 33.001 32.500 -0.095 0.000 0.941 248 K HN 0.739 nan 8.250 nan 0.000 0.474 249 V N 4.465 124.195 119.914 -0.307 0.000 2.540 249 V HA 0.268 4.385 4.120 -0.005 0.000 0.302 249 V C -0.402 175.473 176.094 -0.365 0.000 1.035 249 V CA -1.160 60.890 62.300 -0.416 0.000 0.873 249 V CB 1.710 33.077 31.823 -0.760 0.000 0.992 249 V HN 0.575 nan 8.190 nan 0.000 0.428 250 V N 4.825 124.601 119.914 -0.230 0.000 2.432 250 V HA 0.446 4.563 4.120 -0.005 0.000 0.275 250 V C -0.291 175.848 176.094 0.075 0.000 1.043 250 V CA -0.073 62.158 62.300 -0.115 0.000 0.925 250 V CB 0.987 32.751 31.823 -0.099 0.000 0.985 250 V HN 0.670 nan 8.190 nan 0.000 0.466 251 F N 5.693 125.572 119.950 -0.120 0.000 2.492 251 F HA 0.526 5.050 4.527 -0.006 0.000 0.327 251 F C -2.077 173.671 175.800 -0.088 0.000 1.079 251 F CA -2.642 55.290 58.000 -0.114 0.000 0.967 251 F CB 2.982 41.899 39.000 -0.138 0.000 1.169 251 F HN 0.320 nan 8.300 nan 0.000 0.472 252 P HA 0.305 nan 4.420 nan 0.000 0.288 252 P C -1.306 175.904 177.300 -0.149 0.000 1.267 252 P CA -0.591 62.519 63.100 0.016 0.000 0.815 252 P CB 1.365 33.199 31.700 0.223 0.000 0.989 253 R N 1.111 121.391 120.500 -0.367 0.000 2.807 253 R HA 0.700 5.037 4.340 -0.005 0.000 0.276 253 R C -1.032 174.959 176.300 -0.514 0.000 0.979 253 R CA -1.185 54.581 56.100 -0.556 0.000 0.928 253 R CB 1.916 31.589 30.300 -1.045 0.000 1.191 253 R HN 0.335 nan 8.270 nan 0.000 0.471 254 V N 0.334 119.997 119.914 -0.418 0.000 2.604 254 V HA 0.865 4.982 4.120 -0.005 0.000 0.305 254 V C -1.068 174.961 176.094 -0.107 0.000 1.043 254 V CA -0.527 61.484 62.300 -0.482 0.000 0.888 254 V CB 1.702 33.152 31.823 -0.622 0.000 0.995 254 V HN 0.938 nan 8.190 nan 0.000 0.429 255 A N 5.584 128.403 122.820 -0.001 0.000 2.454 255 A HA 0.878 5.195 4.320 -0.005 0.000 0.302 255 A C -0.897 176.606 177.584 -0.136 0.000 1.079 255 A CA -0.746 51.283 52.037 -0.013 0.000 0.731 255 A CB 1.961 21.044 19.000 0.139 0.000 1.299 255 A HN 1.084 nan 8.150 nan 0.000 0.413 256 Q N 0.125 119.569 119.800 -0.593 0.000 2.306 256 Q HA 0.774 5.111 4.340 -0.005 0.000 0.265 256 Q C -0.778 174.985 176.000 -0.394 0.000 1.022 256 Q CA -0.883 54.502 55.803 -0.696 0.000 0.853 256 Q CB 2.028 30.026 28.738 -1.234 0.000 1.327 256 Q HN 1.201 nan 8.270 nan 0.000 0.449 257 V N -1.495 118.278 119.914 -0.235 0.000 2.962 257 V HA 0.598 4.715 4.120 -0.005 0.000 0.313 257 V C -0.381 175.771 176.094 0.096 0.000 1.099 257 V CA -1.125 61.123 62.300 -0.087 0.000 0.971 257 V CB 1.499 33.133 31.823 -0.316 0.000 1.028 257 V HN 1.057 nan 8.190 nan 0.000 0.430 258 c N 3.591 122.295 118.600 0.173 0.000 2.629 258 c HA 0.247 4.815 4.570 -0.005 0.000 0.410 258 c C 2.087 176.251 174.090 0.122 0.000 1.339 258 c CA -0.128 56.222 56.329 0.034 0.000 1.810 258 c CB -0.427 42.126 42.510 0.072 0.000 2.549 258 c HN 1.086 nan 8.230 nan 0.000 0.589 259 K N 2.393 122.796 120.400 0.005 0.000 2.173 259 K HA -0.191 4.127 4.320 -0.005 0.000 0.207 259 K C 1.420 178.115 176.600 0.158 0.000 1.046 259 K CA 1.843 58.204 56.287 0.123 0.000 0.929 259 K CB -0.053 32.456 32.500 0.015 0.000 0.720 259 K HN 0.806 nan 8.250 nan 0.000 0.453 260 N N 0.257 119.003 118.700 0.076 0.000 2.235 260 N HA -0.057 4.680 4.740 -0.005 0.000 0.209 260 N C -0.480 175.065 175.510 0.058 0.000 1.122 260 N CA 0.000 53.082 53.050 0.053 0.000 0.845 260 N CB 0.059 38.553 38.487 0.011 0.000 1.004 260 N HN -0.063 nan 8.380 nan 0.000 0.499 261 D N 0.957 121.440 120.400 0.137 0.000 2.493 261 D HA -0.037 4.600 4.640 -0.005 0.000 0.240 261 D C 0.569 176.871 176.300 0.004 0.000 1.142 261 D CA 0.186 54.266 54.000 0.133 0.000 0.872 261 D CB 0.764 41.780 40.800 0.360 0.000 1.173 261 D HN 0.043 nan 8.370 nan 0.000 0.467 262 M N 2.008 121.566 119.600 -0.071 0.000 2.313 262 M HA 0.214 4.691 4.480 -0.005 0.000 0.273 262 M C 0.953 177.167 176.300 -0.143 0.000 1.049 262 M CA 0.002 55.229 55.300 -0.120 0.000 1.004 262 M CB -0.356 32.167 32.600 -0.127 0.000 1.461 262 M HN 0.602 nan 8.290 nan 0.000 0.514 263 G N 0.156 108.885 108.800 -0.119 0.000 2.760 263 G HA2 -0.062 3.895 3.960 -0.005 0.000 0.246 263 G HA3 -0.062 3.895 3.960 -0.005 0.000 0.246 263 G C 0.016 174.871 174.900 -0.074 0.000 1.359 263 G CA -0.620 44.419 45.100 -0.101 0.000 0.861 263 G HN 0.534 nan 8.290 nan 0.000 0.541 264 G N -0.739 108.044 108.800 -0.029 0.000 2.630 264 G HA2 0.865 4.822 3.960 -0.005 0.000 0.223 264 G HA3 0.865 4.822 3.960 -0.005 0.000 0.223 264 G C 0.778 175.664 174.900 -0.023 0.000 1.434 264 G CA 1.167 46.267 45.100 -0.000 0.000 1.057 264 G HN 2.176 nan 8.290 nan 0.000 0.570 265 S N -2.186 113.519 115.700 0.008 0.000 2.776 265 S HA 0.313 4.780 4.470 -0.005 0.000 0.306 265 S C 1.034 175.637 174.600 0.005 0.000 1.114 265 S CA -0.455 57.747 58.200 0.004 0.000 0.973 265 S CB 1.522 64.737 63.200 0.025 0.000 1.250 265 S HN 0.504 nan 8.310 nan 0.000 0.549 266 Q N 0.010 119.813 119.800 0.005 0.000 2.170 266 Q HA -0.017 4.320 4.340 -0.005 0.000 0.203 266 Q C 2.224 178.230 176.000 0.010 0.000 0.976 266 Q CA 1.416 57.220 55.803 0.002 0.000 0.858 266 Q CB -0.216 28.523 28.738 0.001 0.000 0.907 266 Q HN 0.556 nan 8.270 nan 0.000 0.433 267 R N -0.533 119.981 120.500 0.023 0.000 2.127 267 R HA 0.059 4.396 4.340 -0.005 0.000 0.217 267 R C -0.162 176.160 176.300 0.037 0.000 1.074 267 R CA 0.524 56.642 56.100 0.029 0.000 0.991 267 R CB 0.691 31.015 30.300 0.039 0.000 0.895 267 R HN -0.018 nan 8.270 nan 0.000 0.450 268 V N 0.268 120.210 119.914 0.046 0.000 2.808 268 V HA 0.163 4.280 4.120 -0.005 0.000 0.308 268 V C 0.159 176.293 176.094 0.067 0.000 1.099 268 V CA -0.962 61.377 62.300 0.065 0.000 0.920 268 V CB 2.116 33.997 31.823 0.096 0.000 1.014 268 V HN 0.206 nan 8.190 nan 0.000 0.425 269 L N 0.800 122.062 121.223 0.066 0.000 3.858 269 L HA -0.190 4.147 4.340 -0.005 0.000 0.425 269 L C 0.906 177.782 176.870 0.010 0.000 1.177 269 L CA 0.715 55.593 54.840 0.064 0.000 0.943 269 L CB -0.832 41.330 42.059 0.172 0.000 1.861 269 L HN 0.887 nan 8.230 nan 0.000 0.985 270 E N 1.575 121.764 120.200 -0.017 0.000 2.465 270 E HA -0.002 4.345 4.350 -0.005 0.000 0.260 270 E C 0.686 177.236 176.600 -0.084 0.000 0.980 270 E CA 0.130 56.503 56.400 -0.045 0.000 0.927 270 E CB 0.327 30.003 29.700 -0.040 0.000 0.934 270 E HN 0.216 nan 8.360 nan 0.000 0.459 271 K N 1.813 122.144 120.400 -0.114 0.000 3.020 271 K HA -0.288 4.029 4.320 -0.005 0.000 0.266 271 K C -0.464 176.001 176.600 -0.225 0.000 1.067 271 K CA 0.825 57.009 56.287 -0.171 0.000 0.780 271 K CB -1.233 31.181 32.500 -0.145 0.000 1.220 271 K HN 0.575 nan 8.250 nan 0.000 0.483 272 Q N -0.855 118.834 119.800 -0.186 0.000 2.451 272 Q HA 0.407 4.744 4.340 -0.005 0.000 0.281 272 Q C -0.830 175.139 176.000 -0.052 0.000 1.099 272 Q CA -1.058 54.633 55.803 -0.186 0.000 0.806 272 Q CB 1.017 29.689 28.738 -0.111 0.000 1.419 272 Q HN 0.213 nan 8.270 nan 0.000 0.427 273 W N 1.059 122.463 121.300 0.173 0.000 2.314 273 W HA 0.002 4.660 4.660 -0.004 0.000 0.339 273 W C 1.179 177.896 176.519 0.330 0.000 1.293 273 W CA 0.718 58.223 57.345 0.267 0.000 1.288 273 W CB 0.420 30.105 29.460 0.375 0.000 1.186 273 W HN 0.681 nan 8.180 nan 0.000 0.566 274 T N -2.544 112.323 114.554 0.520 0.000 3.132 274 T HA 0.103 4.450 4.350 -0.005 0.000 0.274 274 T C 0.812 175.765 174.700 0.422 0.000 1.011 274 T CA 0.170 62.532 62.100 0.436 0.000 0.899 274 T CB -0.193 68.889 68.868 0.357 0.000 1.089 274 T HN 0.394 nan 8.240 nan 0.000 0.543 275 S N -0.185 115.766 115.700 0.419 0.000 2.787 275 S HA 0.362 4.830 4.470 -0.005 0.000 0.255 275 S C -0.123 174.559 174.600 0.136 0.000 1.051 275 S CA -0.733 57.637 58.200 0.284 0.000 1.124 275 S CB -0.600 62.777 63.200 0.295 0.000 1.104 275 S HN 0.377 nan 8.310 nan 0.000 0.623 276 F N 3.377 123.308 119.950 -0.032 0.000 2.533 276 F HA 0.616 5.140 4.527 -0.005 0.000 0.378 276 F C -0.521 175.113 175.800 -0.277 0.000 1.070 276 F CA -0.397 57.441 58.000 -0.270 0.000 1.172 276 F CB 0.189 38.948 39.000 -0.401 0.000 1.085 276 F HN 0.123 nan 8.300 nan 0.000 0.552 277 L N 6.905 127.611 121.223 -0.862 0.000 2.434 277 L HA 0.499 4.836 4.340 -0.005 0.000 0.260 277 L C -1.032 175.465 176.870 -0.623 0.000 0.983 277 L CA -1.038 53.439 54.840 -0.605 0.000 0.820 277 L CB 2.533 44.462 42.059 -0.217 0.000 1.361 277 L HN 0.616 nan 8.230 nan 0.000 0.410 278 K N 1.723 121.987 120.400 -0.226 0.000 2.469 278 K HA 1.003 5.321 4.320 -0.005 0.000 0.268 278 K C -1.647 174.994 176.600 0.069 0.000 1.027 278 K CA -0.858 55.422 56.287 -0.012 0.000 0.893 278 K CB 2.969 35.387 32.500 -0.137 0.000 1.460 278 K HN 0.596 nan 8.250 nan 0.000 0.449 279 A N 0.955 123.739 122.820 -0.059 0.000 2.594 279 A HA 0.458 4.776 4.320 -0.005 0.000 0.296 279 A C -1.362 176.088 177.584 -0.223 0.000 1.061 279 A CA -0.870 51.051 52.037 -0.192 0.000 0.689 279 A CB 1.622 20.373 19.000 -0.415 0.000 1.280 279 A HN 0.786 nan 8.150 nan 0.000 0.406 280 R N 0.806 121.177 120.500 -0.215 0.000 2.623 280 R HA 0.398 4.736 4.340 -0.005 0.000 0.271 280 R C -1.075 175.055 176.300 -0.283 0.000 1.043 280 R CA 0.048 55.990 56.100 -0.265 0.000 1.083 280 R CB 0.157 30.252 30.300 -0.343 0.000 0.974 280 R HN 0.629 nan 8.270 nan 0.000 0.436 281 L N 3.775 124.839 121.223 -0.265 0.000 2.282 281 L HA 0.233 4.570 4.340 -0.005 0.000 0.288 281 L C -0.058 176.710 176.870 -0.170 0.000 1.033 281 L CA -0.704 53.992 54.840 -0.241 0.000 0.807 281 L CB 1.456 43.398 42.059 -0.194 0.000 1.209 281 L HN 0.603 nan 8.230 nan 0.000 0.423 282 N N 3.017 121.676 118.700 -0.068 0.000 2.469 282 N HA 0.129 4.867 4.740 -0.005 0.000 0.239 282 N C -1.331 174.165 175.510 -0.023 0.000 1.053 282 N CA -0.151 52.887 53.050 -0.021 0.000 0.937 282 N CB 0.928 39.410 38.487 -0.007 0.000 1.163 282 N HN 0.507 nan 8.380 nan 0.000 0.509 283 c N 4.124 122.610 118.600 -0.190 0.000 2.321 283 c HA 0.770 5.337 4.570 -0.005 0.000 0.323 283 c C -0.632 173.389 174.090 -0.115 0.000 1.191 283 c CA -0.281 55.844 56.329 -0.339 0.000 1.455 283 c CB -1.426 40.441 42.510 -1.072 0.000 2.083 283 c HN 0.776 nan 8.230 nan 0.000 0.442 284 S N 4.033 119.668 115.700 -0.109 0.000 2.537 284 S HA 0.674 5.141 4.470 -0.005 0.000 0.270 284 S C -1.346 173.246 174.600 -0.013 0.000 1.142 284 S CA -0.690 57.437 58.200 -0.123 0.000 0.870 284 S CB 1.183 64.009 63.200 -0.622 0.000 1.112 284 S HN 0.542 nan 8.310 nan 0.000 0.466 285 V N 2.706 122.706 119.914 0.143 0.000 2.334 285 V HA 0.389 4.506 4.120 -0.005 0.000 0.267 285 V C -2.328 173.836 176.094 0.116 0.000 1.040 285 V CA -1.608 60.763 62.300 0.118 0.000 0.866 285 V CB 0.424 32.355 31.823 0.181 0.000 1.019 285 V HN 0.730 nan 8.190 nan 0.000 0.468 286 P HA 0.399 nan 4.420 nan 0.000 0.268 286 P C 0.371 177.748 177.300 0.128 0.000 1.205 286 P CA 0.523 63.762 63.100 0.231 0.000 0.771 286 P CB 0.938 32.726 31.700 0.146 0.000 0.858 287 G N 1.483 110.310 108.800 0.045 0.000 2.650 287 G HA2 0.277 4.234 3.960 -0.005 0.000 0.310 287 G HA3 0.277 4.234 3.960 -0.005 0.000 0.310 287 G C -0.064 174.718 174.900 -0.197 0.000 1.270 287 G CA -0.471 44.597 45.100 -0.053 0.000 0.810 287 G HN 0.383 nan 8.290 nan 0.000 0.493 288 D N -0.038 120.289 120.400 -0.122 0.000 2.123 288 D HA -0.047 4.590 4.640 -0.005 0.000 0.196 288 D C 1.500 177.692 176.300 -0.179 0.000 0.992 288 D CA 1.680 55.603 54.000 -0.128 0.000 0.833 288 D CB -0.411 40.353 40.800 -0.061 0.000 0.954 288 D HN 0.618 nan 8.370 nan 0.000 0.455 289 S N -0.055 115.565 115.700 -0.135 0.000 2.456 289 S HA 0.248 4.715 4.470 -0.005 0.000 0.316 289 S C -0.235 174.302 174.600 -0.104 0.000 1.089 289 S CA -1.014 57.118 58.200 -0.114 0.000 1.101 289 S CB 0.933 64.137 63.200 0.007 0.000 0.995 289 S HN 0.137 nan 8.310 nan 0.000 0.468 290 H N 2.276 121.373 119.070 0.045 0.000 2.871 290 H HA 0.174 4.729 4.556 -0.001 0.000 0.355 290 H C -0.924 174.364 175.328 -0.067 0.000 1.092 290 H CA 0.072 56.073 56.048 -0.079 0.000 1.420 290 H CB 0.332 29.937 29.762 -0.262 0.000 1.400 290 H HN 0.721 nan 8.280 nan 0.000 0.604 291 F N 3.674 123.550 119.950 -0.124 0.000 2.375 291 F HA 0.222 4.745 4.527 -0.006 0.000 0.361 291 F C -1.054 174.579 175.800 -0.277 0.000 1.117 291 F CA -0.789 57.132 58.000 -0.131 0.000 1.037 291 F CB 0.168 39.139 39.000 -0.048 0.000 1.192 291 F HN 0.324 nan 8.300 nan 0.000 0.452 292 Y N 4.918 124.878 120.300 -0.567 0.000 2.301 292 Y HA 0.387 4.934 4.550 -0.006 0.000 0.325 292 Y C -0.623 174.883 175.900 -0.657 0.000 1.203 292 Y CA -0.371 57.485 58.100 -0.407 0.000 1.255 292 Y CB 0.668 38.961 38.460 -0.278 0.000 1.232 292 Y HN 0.374 nan 8.280 nan 0.000 0.501 293 F N 2.226 122.131 119.950 -0.076 0.000 2.332 293 F HA 0.350 4.875 4.527 -0.003 0.000 0.368 293 F C 0.688 176.511 175.800 0.039 0.000 1.110 293 F CA -0.603 57.400 58.000 0.004 0.000 1.087 293 F CB 0.693 39.744 39.000 0.086 0.000 1.235 293 F HN 0.521 nan 8.300 nan 0.000 0.470 294 N N 2.003 120.809 118.700 0.176 0.000 2.322 294 N HA 0.142 4.879 4.740 -0.005 0.000 0.181 294 N C 0.096 175.730 175.510 0.207 0.000 1.088 294 N CA 0.419 53.563 53.050 0.157 0.000 0.885 294 N CB 0.567 39.097 38.487 0.072 0.000 1.013 294 N HN 0.252 nan 8.380 nan 0.000 0.472 295 I N 2.390 123.073 120.570 0.189 0.000 2.282 295 I HA 0.157 4.325 4.170 -0.005 0.000 0.290 295 I C 0.082 176.237 176.117 0.064 0.000 1.090 295 I CA -1.083 60.241 61.300 0.040 0.000 1.231 295 I CB -0.230 37.690 38.000 -0.133 0.000 1.434 295 I HN -0.071 nan 8.210 nan 0.000 0.487 296 L N 7.470 128.696 121.223 0.004 0.000 2.534 296 L HA 0.016 4.353 4.340 -0.005 0.000 0.271 296 L C 1.294 178.100 176.870 -0.106 0.000 1.178 296 L CA 0.993 55.709 54.840 -0.207 0.000 0.907 296 L CB 0.436 42.398 42.059 -0.161 0.000 1.164 296 L HN 0.489 nan 8.230 nan 0.000 0.482 297 Q N 4.331 124.044 119.800 -0.145 0.000 2.263 297 Q HA 0.460 4.797 4.340 -0.005 0.000 0.196 297 Q C -0.007 175.994 176.000 0.003 0.000 0.965 297 Q CA 1.097 56.896 55.803 -0.007 0.000 0.851 297 Q CB 0.227 28.991 28.738 0.043 0.000 0.948 297 Q HN 0.773 nan 8.270 nan 0.000 0.516 298 A N -0.262 122.505 122.820 -0.088 0.000 2.609 298 A HA 0.677 4.995 4.320 -0.005 0.000 0.291 298 A C -1.409 176.074 177.584 -0.170 0.000 1.096 298 A CA -0.508 51.486 52.037 -0.072 0.000 0.684 298 A CB 1.837 20.824 19.000 -0.023 0.000 1.282 298 A HN -0.055 nan 8.150 nan 0.000 0.412 299 V N 1.201 121.010 119.914 -0.175 0.000 2.733 299 V HA 0.569 4.686 4.120 -0.005 0.000 0.306 299 V C 0.519 176.474 176.094 -0.232 0.000 1.084 299 V CA -0.104 62.012 62.300 -0.307 0.000 0.905 299 V CB 1.726 33.190 31.823 -0.599 0.000 1.010 299 V HN 1.320 nan 8.190 nan 0.000 0.424 300 T N 0.321 114.751 114.554 -0.207 0.000 2.726 300 T HA 0.258 4.605 4.350 -0.005 0.000 0.294 300 T C 0.053 174.669 174.700 -0.139 0.000 1.013 300 T CA -0.450 61.571 62.100 -0.131 0.000 0.996 300 T CB 0.678 69.488 68.868 -0.097 0.000 1.016 300 T HN 0.577 nan 8.240 nan 0.000 0.529 301 D N -0.060 120.299 120.400 -0.068 0.000 2.384 301 D HA 0.225 4.862 4.640 -0.005 0.000 0.244 301 D C 0.116 176.389 176.300 -0.045 0.000 1.251 301 D CA -0.427 53.550 54.000 -0.038 0.000 0.961 301 D CB 0.774 41.577 40.800 0.006 0.000 1.116 301 D HN 0.388 nan 8.370 nan 0.000 0.484 302 V N 1.855 121.760 119.914 -0.014 0.000 2.529 302 V HA 0.062 4.180 4.120 -0.005 0.000 0.292 302 V C 0.528 176.627 176.094 0.009 0.000 1.028 302 V CA 0.369 62.651 62.300 -0.030 0.000 1.074 302 V CB 0.020 31.839 31.823 -0.007 0.000 0.958 302 V HN 0.238 nan 8.190 nan 0.000 0.481 303 I N 4.938 125.505 120.570 -0.006 0.000 2.530 303 I HA 0.531 4.699 4.170 -0.005 0.000 0.297 303 I C 0.004 176.144 176.117 0.039 0.000 1.011 303 I CA -0.921 60.394 61.300 0.025 0.000 1.107 303 I CB 1.978 39.990 38.000 0.021 0.000 1.285 303 I HN 0.471 nan 8.210 nan 0.000 0.436 304 R N 6.760 127.296 120.500 0.060 0.000 2.221 304 R HA 0.627 4.964 4.340 -0.005 0.000 0.327 304 R C -1.506 174.833 176.300 0.066 0.000 1.033 304 R CA 0.056 56.196 56.100 0.067 0.000 0.887 304 R CB 0.241 30.585 30.300 0.074 0.000 1.057 304 R HN 0.606 nan 8.270 nan 0.000 0.455 305 I N 4.605 125.218 120.570 0.072 0.000 2.497 305 I HA 0.221 4.388 4.170 -0.005 0.000 0.284 305 I C -0.414 175.744 176.117 0.068 0.000 1.060 305 I CA -1.015 60.334 61.300 0.081 0.000 1.071 305 I CB 1.746 39.825 38.000 0.133 0.000 1.216 305 I HN 0.845 nan 8.210 nan 0.000 0.442 306 N N 4.724 123.450 118.700 0.044 0.000 2.686 306 N HA -0.225 4.513 4.740 -0.005 0.000 0.261 306 N C 0.987 176.518 175.510 0.035 0.000 1.001 306 N CA 0.896 53.962 53.050 0.028 0.000 0.764 306 N CB -0.540 37.955 38.487 0.013 0.000 0.898 306 N HN 1.180 nan 8.380 nan 0.000 0.544 307 G N -0.939 107.885 108.800 0.040 0.000 2.179 307 G HA2 -0.372 3.585 3.960 -0.005 0.000 0.260 307 G HA3 -0.372 3.585 3.960 -0.005 0.000 0.260 307 G C 0.021 174.955 174.900 0.057 0.000 0.977 307 G CA 0.580 45.707 45.100 0.044 0.000 0.641 307 G HN 0.569 nan 8.290 nan 0.000 0.533 308 R N 0.500 121.038 120.500 0.062 0.000 2.562 308 R HA 0.538 4.875 4.340 -0.005 0.000 0.298 308 R C -1.454 174.884 176.300 0.063 0.000 0.961 308 R CA -0.997 55.143 56.100 0.066 0.000 0.881 308 R CB 1.396 31.737 30.300 0.068 0.000 1.159 308 R HN 0.048 nan 8.270 nan 0.000 0.450 309 D N 2.722 123.157 120.400 0.057 0.000 2.280 309 D HA 0.271 4.908 4.640 -0.005 0.000 0.243 309 D C -0.239 176.008 176.300 -0.088 0.000 1.129 309 D CA -0.068 53.937 54.000 0.008 0.000 0.848 309 D CB 1.824 42.661 40.800 0.061 0.000 1.107 309 D HN 0.304 nan 8.370 nan 0.000 0.471 310 V N -0.169 119.697 119.914 -0.082 0.000 3.130 310 V HA 0.801 4.919 4.120 -0.005 0.000 0.310 310 V C -0.498 175.529 176.094 -0.112 0.000 1.158 310 V CA -0.939 61.306 62.300 -0.091 0.000 1.029 310 V CB 1.929 33.726 31.823 -0.043 0.000 1.057 310 V HN 0.255 nan 8.190 nan 0.000 0.436 311 V N 0.521 120.370 119.914 -0.108 0.000 2.769 311 V HA 0.854 4.971 4.120 -0.005 0.000 0.312 311 V C -0.842 175.172 176.094 -0.134 0.000 1.061 311 V CA -0.800 61.418 62.300 -0.138 0.000 0.931 311 V CB 1.480 33.166 31.823 -0.230 0.000 1.010 311 V HN 0.876 nan 8.190 nan 0.000 0.433 312 L N 3.330 124.461 121.223 -0.154 0.000 2.329 312 L HA 0.946 5.283 4.340 -0.005 0.000 0.279 312 L C 0.282 177.086 176.870 -0.110 0.000 1.014 312 L CA -0.126 54.619 54.840 -0.159 0.000 0.814 312 L CB 1.594 43.572 42.059 -0.135 0.000 1.257 312 L HN 1.170 nan 8.230 nan 0.000 0.424 313 A N 0.954 123.758 122.820 -0.025 0.000 2.422 313 A HA 0.782 5.099 4.320 -0.005 0.000 0.302 313 A C -0.464 177.115 177.584 -0.009 0.000 1.041 313 A CA -0.490 51.502 52.037 -0.074 0.000 0.708 313 A CB 1.329 20.272 19.000 -0.094 0.000 1.257 313 A HN 0.644 nan 8.150 nan 0.000 0.414 314 T N -0.588 113.883 114.554 -0.139 0.000 2.875 314 T HA 0.794 5.141 4.350 -0.005 0.000 0.284 314 T C -0.644 173.946 174.700 -0.184 0.000 0.995 314 T CA -0.258 61.836 62.100 -0.010 0.000 1.060 314 T CB 0.425 69.310 68.868 0.028 0.000 0.967 314 T HN 0.338 nan 8.240 nan 0.000 0.476 315 F N 0.664 120.650 119.950 0.061 0.000 2.599 315 F HA 0.692 5.217 4.527 -0.004 0.000 0.311 315 F C 0.471 176.386 175.800 0.192 0.000 1.076 315 F CA -0.861 57.209 58.000 0.118 0.000 0.937 315 F CB 2.490 41.581 39.000 0.152 0.000 1.282 315 F HN 0.938 nan 8.300 nan 0.000 0.460 316 S N -0.964 114.986 115.700 0.417 0.000 2.709 316 S HA 0.772 5.240 4.470 -0.005 0.000 0.302 316 S C -0.566 174.254 174.600 0.365 0.000 1.127 316 S CA -0.686 57.777 58.200 0.438 0.000 0.905 316 S CB 1.455 64.844 63.200 0.314 0.000 1.151 316 S HN 0.748 nan 8.310 nan 0.000 0.510 317 T N -0.342 114.388 114.554 0.293 0.000 2.899 317 T HA 0.554 4.901 4.350 -0.005 0.000 0.295 317 T C -2.779 171.946 174.700 0.041 0.000 1.033 317 T CA -1.422 60.730 62.100 0.086 0.000 1.084 317 T CB -0.114 68.806 68.868 0.085 0.000 0.979 317 T HN 0.454 nan 8.240 nan 0.000 0.532 318 P HA -0.002 nan 4.420 nan 0.000 0.269 318 P C 0.351 177.656 177.300 0.010 0.000 1.211 318 P CA -0.237 62.790 63.100 -0.122 0.000 0.781 318 P CB 0.142 31.775 31.700 -0.112 0.000 0.877 319 Y N -0.382 119.912 120.300 -0.010 0.000 2.483 319 Y HA -0.101 4.446 4.550 -0.005 0.000 0.291 319 Y C 1.315 177.214 175.900 -0.002 0.000 1.143 319 Y CA 1.049 59.148 58.100 -0.002 0.000 1.289 319 Y CB -1.031 37.419 38.460 -0.016 0.000 0.983 319 Y HN 0.335 nan 8.280 nan 0.000 0.556 320 N N 0.788 119.562 118.700 0.124 0.000 3.114 320 N HA 0.233 4.970 4.740 -0.005 0.000 0.289 320 N C -1.100 174.432 175.510 0.037 0.000 1.519 320 N CA -0.032 53.057 53.050 0.065 0.000 1.026 320 N CB 0.080 38.589 38.487 0.035 0.000 1.306 320 N HN 0.124 nan 8.380 nan 0.000 0.495 321 S N -0.621 115.110 115.700 0.051 0.000 2.655 321 S HA 0.462 4.929 4.470 -0.005 0.000 0.266 321 S C -0.607 174.019 174.600 0.043 0.000 1.149 321 S CA -0.956 57.265 58.200 0.035 0.000 0.818 321 S CB 0.289 63.505 63.200 0.028 0.000 1.130 321 S HN 0.108 nan 8.310 nan 0.000 0.476 322 I N 2.918 123.505 120.570 0.028 0.000 2.587 322 I HA 0.250 4.417 4.170 -0.005 0.000 0.284 322 I C -2.032 174.113 176.117 0.046 0.000 1.134 322 I CA -1.507 59.803 61.300 0.016 0.000 1.410 322 I CB 0.147 38.130 38.000 -0.028 0.000 1.392 322 I HN 0.421 nan 8.210 nan 0.000 0.545 323 P HA 0.128 nan 4.420 nan 0.000 0.267 323 P C -0.152 177.217 177.300 0.115 0.000 1.209 323 P CA 0.103 63.262 63.100 0.098 0.000 0.763 323 P CB 0.780 32.524 31.700 0.073 0.000 0.816 324 G N 1.230 110.160 108.800 0.217 0.000 2.696 324 G HA2 0.567 4.524 3.960 -0.005 0.000 0.295 324 G HA3 0.567 4.524 3.960 -0.005 0.000 0.295 324 G C -1.417 173.796 174.900 0.522 0.000 1.398 324 G CA -0.418 44.896 45.100 0.356 0.000 0.920 324 G HN 0.384 nan 8.290 nan 0.000 0.492 325 S N -1.235 114.727 115.700 0.437 0.000 2.569 325 S HA 0.926 5.393 4.470 -0.005 0.000 0.280 325 S C -0.479 174.054 174.600 -0.112 0.000 1.111 325 S CA -0.203 58.153 58.200 0.261 0.000 0.887 325 S CB 1.986 65.325 63.200 0.232 0.000 1.095 325 S HN 1.707 nan 8.310 nan 0.000 0.476 326 A N 1.329 123.992 122.820 -0.262 0.000 2.547 326 A HA 0.747 5.064 4.320 -0.005 0.000 0.297 326 A C -1.588 175.958 177.584 -0.063 0.000 1.056 326 A CA -0.561 51.199 52.037 -0.461 0.000 0.688 326 A CB 1.202 19.408 19.000 -1.323 0.000 1.282 326 A HN 0.593 nan 8.150 nan 0.000 0.400 327 V N 0.814 120.719 119.914 -0.015 0.000 2.384 327 V HA 0.498 4.615 4.120 -0.005 0.000 0.287 327 V C -0.268 175.786 176.094 -0.068 0.000 1.020 327 V CA -0.462 61.881 62.300 0.071 0.000 0.850 327 V CB 0.928 32.849 31.823 0.163 0.000 0.987 327 V HN 0.994 nan 8.190 nan 0.000 0.436 328 c N 3.942 122.506 118.600 -0.060 0.000 2.561 328 c HA 0.916 5.483 4.570 -0.005 0.000 0.319 328 c C 0.529 174.253 174.090 -0.612 0.000 1.198 328 c CA -0.605 55.498 56.329 -0.376 0.000 1.665 328 c CB 1.409 43.742 42.510 -0.295 0.000 2.258 328 c HN 1.002 nan 8.230 nan 0.000 0.493 329 A N 2.027 124.175 122.820 -1.120 0.000 2.340 329 A HA 0.868 5.186 4.320 -0.005 0.000 0.331 329 A C -1.715 175.278 177.584 -0.984 0.000 1.140 329 A CA -0.286 51.139 52.037 -1.021 0.000 0.801 329 A CB 0.592 18.663 19.000 -1.549 0.000 1.234 329 A HN 0.828 nan 8.150 nan 0.000 0.469 330 Y N 0.736 120.903 120.300 -0.221 0.000 2.361 330 Y HA 0.288 4.835 4.550 -0.005 0.000 0.337 330 Y C 0.001 175.828 175.900 -0.123 0.000 0.965 330 Y CA -0.797 57.226 58.100 -0.128 0.000 1.091 330 Y CB 1.755 40.177 38.460 -0.062 0.000 1.182 330 Y HN 0.697 nan 8.280 nan 0.000 0.450 331 D N 3.551 123.961 120.400 0.016 0.000 2.383 331 D HA 0.035 4.672 4.640 -0.005 0.000 0.252 331 D C 0.950 177.218 176.300 -0.054 0.000 1.166 331 D CA 0.048 54.038 54.000 -0.017 0.000 0.879 331 D CB 1.100 41.902 40.800 0.003 0.000 1.164 331 D HN 0.543 nan 8.370 nan 0.000 0.462 332 M N 3.740 123.251 119.600 -0.148 0.000 2.346 332 M HA -0.155 4.322 4.480 -0.005 0.000 0.263 332 M C 1.971 178.216 176.300 -0.092 0.000 1.064 332 M CA 0.786 55.932 55.300 -0.258 0.000 1.083 332 M CB -0.715 31.512 32.600 -0.623 0.000 1.399 332 M HN 0.509 nan 8.290 nan 0.000 0.435 333 L N -0.014 121.201 121.223 -0.014 0.000 2.072 333 L HA -0.191 4.146 4.340 -0.005 0.000 0.205 333 L C 2.021 178.887 176.870 -0.006 0.000 1.079 333 L CA 1.257 56.117 54.840 0.034 0.000 0.752 333 L CB -0.293 41.796 42.059 0.050 0.000 0.906 333 L HN 0.236 nan 8.230 nan 0.000 0.436 334 D N -0.195 120.188 120.400 -0.028 0.000 2.144 334 D HA -0.175 4.463 4.640 -0.005 0.000 0.200 334 D C 2.276 178.505 176.300 -0.119 0.000 0.978 334 D CA 1.349 55.317 54.000 -0.054 0.000 0.833 334 D CB 0.006 40.791 40.800 -0.025 0.000 0.961 334 D HN 0.376 nan 8.370 nan 0.000 0.470 335 I N 1.568 122.057 120.570 -0.135 0.000 2.127 335 I HA -0.292 3.876 4.170 -0.005 0.000 0.241 335 I C 2.624 178.650 176.117 -0.151 0.000 1.075 335 I CA 1.223 62.386 61.300 -0.227 0.000 1.334 335 I CB -0.302 37.517 38.000 -0.301 0.000 1.040 335 I HN -0.075 nan 8.210 nan 0.000 0.405 336 A N 0.557 123.365 122.820 -0.020 0.000 1.940 336 A HA -0.269 4.048 4.320 -0.005 0.000 0.219 336 A C 2.010 179.622 177.584 0.046 0.000 1.176 336 A CA 2.403 54.513 52.037 0.123 0.000 0.631 336 A CB -1.049 18.046 19.000 0.158 0.000 0.814 336 A HN 0.494 nan 8.150 nan 0.000 0.446 337 N N -0.556 118.122 118.700 -0.037 0.000 2.166 337 N HA -0.101 4.636 4.740 -0.005 0.000 0.186 337 N C 1.472 176.890 175.510 -0.153 0.000 1.019 337 N CA 1.299 54.309 53.050 -0.066 0.000 0.856 337 N CB -0.166 38.285 38.487 -0.060 0.000 0.993 337 N HN 0.227 nan 8.380 nan 0.000 0.426 338 V N 0.084 119.823 119.914 -0.292 0.000 2.407 338 V HA -0.196 3.921 4.120 -0.005 0.000 0.248 338 V C 1.082 176.889 176.094 -0.478 0.000 1.055 338 V CA 1.426 63.458 62.300 -0.446 0.000 1.049 338 V CB -0.589 30.850 31.823 -0.639 0.000 0.662 338 V HN 0.295 nan 8.190 nan 0.000 0.455 339 F N 0.857 120.701 119.950 -0.177 0.000 2.802 339 F HA -0.016 4.509 4.527 -0.004 0.000 0.300 339 F C 2.241 177.918 175.800 -0.204 0.000 1.168 339 F CA 1.190 59.066 58.000 -0.206 0.000 1.433 339 F CB -1.068 37.818 39.000 -0.189 0.000 1.115 339 F HN 0.318 nan 8.300 nan 0.000 0.582 340 T N -3.712 110.808 114.554 -0.057 0.000 3.022 340 T HA 0.346 4.693 4.350 -0.005 0.000 0.250 340 T C 1.502 176.113 174.700 -0.148 0.000 1.060 340 T CA 0.358 62.417 62.100 -0.068 0.000 1.013 340 T CB -0.403 68.458 68.868 -0.011 0.000 0.982 340 T HN 0.135 nan 8.240 nan 0.000 0.508 341 G N 1.386 110.065 108.800 -0.202 0.000 2.468 341 G HA2 0.449 4.407 3.960 -0.005 0.000 0.264 341 G HA3 0.449 4.407 3.960 -0.005 0.000 0.264 341 G C -0.319 174.400 174.900 -0.302 0.000 1.460 341 G CA -1.013 43.965 45.100 -0.203 0.000 1.060 341 G HN 0.428 nan 8.290 nan 0.000 0.543 342 R N -1.123 119.248 120.500 -0.216 0.000 2.404 342 R HA 0.359 4.697 4.340 -0.005 0.000 0.291 342 R C -0.794 175.391 176.300 -0.192 0.000 1.025 342 R CA -0.348 55.654 56.100 -0.164 0.000 0.991 342 R CB 0.908 31.204 30.300 -0.007 0.000 1.053 342 R HN 0.325 nan 8.270 nan 0.000 0.479 343 F N 1.312 121.330 119.950 0.113 0.000 2.410 343 F HA 0.227 4.751 4.527 -0.005 0.000 0.334 343 F C 1.126 177.029 175.800 0.171 0.000 1.134 343 F CA -0.077 58.022 58.000 0.165 0.000 1.227 343 F CB 0.500 39.658 39.000 0.264 0.000 1.194 343 F HN 0.172 nan 8.300 nan 0.000 0.571 344 K N 1.406 122.048 120.400 0.403 0.000 2.098 344 K HA 0.394 4.712 4.320 -0.005 0.000 0.261 344 K C -0.631 176.261 176.600 0.487 0.000 0.987 344 K CA -0.552 55.979 56.287 0.406 0.000 0.916 344 K CB 1.124 33.866 32.500 0.404 0.000 1.039 344 K HN 0.840 nan 8.250 nan 0.000 0.455 345 E N 1.160 121.589 120.200 0.382 0.000 2.430 345 E HA 0.152 4.499 4.350 -0.005 0.000 0.279 345 E C -1.579 174.797 176.600 -0.373 0.000 1.003 345 E CA -1.000 55.463 56.400 0.105 0.000 0.801 345 E CB 1.582 31.361 29.700 0.132 0.000 1.313 345 E HN 0.373 nan 8.360 nan 0.000 0.459 346 Q N 1.405 120.743 119.800 -0.769 0.000 2.394 346 Q HA 0.247 4.584 4.340 -0.005 0.000 0.261 346 Q C -0.184 175.549 176.000 -0.445 0.000 1.023 346 Q CA -0.414 54.830 55.803 -0.932 0.000 0.720 346 Q CB 1.175 28.963 28.738 -1.582 0.000 1.241 346 Q HN 0.627 nan 8.270 nan 0.000 0.483 347 K N 0.567 120.801 120.400 -0.276 0.000 2.209 347 K HA 0.004 4.321 4.320 -0.005 0.000 0.204 347 K C -0.260 176.258 176.600 -0.138 0.000 1.048 347 K CA 0.863 57.059 56.287 -0.153 0.000 0.940 347 K CB 0.350 32.792 32.500 -0.096 0.000 0.729 347 K HN 0.361 nan 8.250 nan 0.000 0.451 348 S N -1.098 114.502 115.700 -0.167 0.000 2.535 348 S HA 0.190 4.657 4.470 -0.005 0.000 0.272 348 S C -2.440 172.083 174.600 -0.127 0.000 1.149 348 S CA -1.128 57.002 58.200 -0.117 0.000 0.888 348 S CB 1.961 65.113 63.200 -0.080 0.000 1.110 348 S HN -0.230 nan 8.310 nan 0.000 0.463 349 P HA -0.179 nan 4.420 nan 0.000 0.218 349 P C 0.210 177.484 177.300 -0.043 0.000 1.154 349 P CA 1.737 64.801 63.100 -0.059 0.000 0.872 349 P CB -0.121 31.560 31.700 -0.032 0.000 0.790 350 D N -2.624 117.752 120.400 -0.040 0.000 2.891 350 D HA 0.146 4.784 4.640 -0.005 0.000 0.312 350 D C -0.247 176.033 176.300 -0.032 0.000 1.354 350 D CA -0.577 53.411 54.000 -0.020 0.000 0.838 350 D CB -0.509 40.289 40.800 -0.003 0.000 1.117 350 D HN 0.049 nan 8.370 nan 0.000 0.473 351 S N -1.601 114.057 115.700 -0.071 0.000 2.690 351 S HA 0.629 5.096 4.470 -0.005 0.000 0.291 351 S C 0.341 174.887 174.600 -0.089 0.000 1.138 351 S CA -0.672 57.483 58.200 -0.075 0.000 1.013 351 S CB 1.689 64.833 63.200 -0.093 0.000 1.053 351 S HN 0.071 nan 8.310 nan 0.000 0.539 352 T N 0.333 114.863 114.554 -0.040 0.000 2.828 352 T HA 0.275 4.622 4.350 -0.005 0.000 0.290 352 T C -0.973 173.718 174.700 -0.015 0.000 1.019 352 T CA -0.320 61.799 62.100 0.031 0.000 1.031 352 T CB -0.116 68.783 68.868 0.052 0.000 1.001 352 T HN 0.569 nan 8.240 nan 0.000 0.531 353 W N 2.784 124.083 121.300 -0.002 0.000 2.358 353 W HA 0.411 5.068 4.660 -0.005 0.000 0.307 353 W C 0.801 177.334 176.519 0.024 0.000 1.203 353 W CA -0.524 56.832 57.345 0.018 0.000 1.279 353 W CB 0.336 29.810 29.460 0.023 0.000 1.264 353 W HN 0.704 nan 8.180 nan 0.000 0.474 354 T N 1.266 115.923 114.554 0.171 0.000 2.930 354 T HA 0.600 4.947 4.350 -0.005 0.000 0.290 354 T C -2.663 172.128 174.700 0.152 0.000 1.052 354 T CA -2.844 59.333 62.100 0.129 0.000 1.017 354 T CB 1.969 70.875 68.868 0.063 0.000 1.137 354 T HN 0.039 nan 8.240 nan 0.000 0.511 355 P HA 0.243 nan 4.420 nan 0.000 0.276 355 P C -0.281 177.096 177.300 0.129 0.000 1.235 355 P CA -0.361 62.814 63.100 0.125 0.000 0.772 355 P CB 0.548 32.295 31.700 0.080 0.000 0.871 356 V N 6.721 126.744 119.914 0.182 0.000 2.521 356 V HA 0.087 4.204 4.120 -0.005 0.000 0.286 356 V C -1.471 174.711 176.094 0.146 0.000 1.034 356 V CA -1.123 61.283 62.300 0.177 0.000 1.045 356 V CB 0.073 32.051 31.823 0.259 0.000 0.974 356 V HN 0.583 nan 8.190 nan 0.000 0.480 357 P HA 0.102 nan 4.420 nan 0.000 0.271 357 P C 0.429 177.768 177.300 0.065 0.000 1.216 357 P CA -0.085 63.057 63.100 0.069 0.000 0.771 357 P CB 0.933 32.663 31.700 0.049 0.000 0.864 358 D N 2.161 122.590 120.400 0.049 0.000 2.203 358 D HA -0.235 4.403 4.640 -0.005 0.000 0.199 358 D C 1.319 177.617 176.300 -0.003 0.000 0.997 358 D CA 1.627 55.643 54.000 0.027 0.000 0.863 358 D CB 0.104 40.914 40.800 0.016 0.000 0.928 358 D HN 0.435 nan 8.370 nan 0.000 0.458 359 E N -0.249 119.954 120.200 0.005 0.000 2.160 359 E HA -0.130 4.217 4.350 -0.005 0.000 0.195 359 E C 1.790 178.381 176.600 -0.014 0.000 0.991 359 E CA 0.719 57.117 56.400 -0.004 0.000 0.810 359 E CB -0.071 29.633 29.700 0.007 0.000 0.742 359 E HN 0.210 nan 8.360 nan 0.000 0.466 360 R N 0.493 120.992 120.500 -0.001 0.000 2.310 360 R HA 0.115 4.452 4.340 -0.005 0.000 0.202 360 R C -0.453 175.784 176.300 -0.106 0.000 0.933 360 R CA -0.041 56.062 56.100 0.005 0.000 1.054 360 R CB 0.476 30.822 30.300 0.076 0.000 0.985 360 R HN 0.006 nan 8.270 nan 0.000 0.489 361 V N 3.452 123.238 119.914 -0.214 0.000 2.385 361 V HA 0.190 4.307 4.120 -0.005 0.000 0.269 361 V C -1.953 173.909 176.094 -0.387 0.000 1.043 361 V CA -1.740 60.240 62.300 -0.533 0.000 0.906 361 V CB 1.076 32.700 31.823 -0.332 0.000 0.995 361 V HN 0.070 nan 8.190 nan 0.000 0.467 362 P HA 0.284 nan 4.420 nan 0.000 0.273 362 P C -0.567 176.611 177.300 -0.204 0.000 1.250 362 P CA -0.445 62.505 63.100 -0.250 0.000 0.793 362 P CB 0.667 32.235 31.700 -0.220 0.000 1.011 363 K N 1.414 121.741 120.400 -0.121 0.000 2.292 363 K HA 0.404 4.722 4.320 -0.005 0.000 0.257 363 K C -2.276 174.278 176.600 -0.077 0.000 0.940 363 K CA -1.800 54.432 56.287 -0.090 0.000 0.811 363 K CB 1.254 33.735 32.500 -0.031 0.000 1.120 363 K HN 0.416 nan 8.250 nan 0.000 0.428 364 P HA 0.047 nan 4.420 nan 0.000 0.269 364 P C -0.629 176.513 177.300 -0.263 0.000 1.215 364 P CA -0.311 62.660 63.100 -0.215 0.000 0.780 364 P CB 0.664 32.099 31.700 -0.442 0.000 0.898 365 R N 2.728 123.124 120.500 -0.174 0.000 2.449 365 R HA 0.150 4.487 4.340 -0.005 0.000 0.296 365 R C -2.058 174.166 176.300 -0.127 0.000 1.047 365 R CA -1.312 54.714 56.100 -0.123 0.000 1.018 365 R CB -0.474 29.816 30.300 -0.016 0.000 0.962 365 R HN 0.323 nan 8.270 nan 0.000 0.428 366 P HA 0.013 nan 4.420 nan 0.000 0.263 366 P C 0.135 177.528 177.300 0.155 0.000 1.195 366 P CA 1.017 64.102 63.100 -0.024 0.000 0.762 366 P CB 0.856 32.510 31.700 -0.077 0.000 0.799 367 G N 1.665 110.539 108.800 0.122 0.000 2.176 367 G HA2 -0.222 3.736 3.960 -0.005 0.000 0.232 367 G HA3 -0.222 3.736 3.960 -0.005 0.000 0.232 367 G C 0.160 175.165 174.900 0.175 0.000 0.986 367 G CA -0.390 44.809 45.100 0.165 0.000 0.643 367 G HN 0.632 nan 8.290 nan 0.000 0.522 368 C N 1.898 121.256 119.300 0.097 0.000 2.435 368 C HA 0.557 5.014 4.460 -0.005 0.000 0.375 368 C C 1.582 176.666 174.990 0.157 0.000 1.281 368 C CA -0.530 58.554 59.018 0.111 0.000 1.963 368 C CB -0.433 27.325 27.740 0.030 0.000 2.490 368 C HN 0.619 nan 8.230 nan 0.000 0.557 369 c N 4.036 122.736 118.600 0.167 0.000 2.632 369 c HA 0.438 5.005 4.570 -0.005 0.000 0.415 369 c C 1.222 175.452 174.090 0.234 0.000 1.332 369 c CA -0.717 55.716 56.329 0.172 0.000 1.874 369 c CB -1.171 41.330 42.510 -0.014 0.000 2.596 369 c HN 1.024 nan 8.230 nan 0.000 0.590 370 A N 3.156 126.193 122.820 0.362 0.000 2.584 370 A HA 0.408 4.725 4.320 -0.005 0.000 0.239 370 A C 1.483 179.175 177.584 0.181 0.000 1.043 370 A CA 0.953 53.187 52.037 0.328 0.000 0.756 370 A CB -0.618 18.480 19.000 0.165 0.000 0.963 370 A HN 2.343 nan 8.150 nan 0.000 0.511 371 G N 1.343 110.255 108.800 0.187 0.000 2.213 371 G HA2 -0.170 3.788 3.960 -0.005 0.000 0.236 371 G HA3 -0.170 3.788 3.960 -0.005 0.000 0.236 371 G C 0.715 175.669 174.900 0.090 0.000 0.991 371 G CA 0.851 46.018 45.100 0.113 0.000 0.629 371 G HN 2.167 nan 8.290 nan 0.000 0.517 372 S N -0.144 115.616 115.700 0.101 0.000 2.661 372 S HA 0.654 5.121 4.470 -0.005 0.000 0.265 372 S C 0.776 175.427 174.600 0.084 0.000 1.225 372 S CA 0.749 58.996 58.200 0.078 0.000 0.986 372 S CB 1.394 64.640 63.200 0.077 0.000 1.008 372 S HN 1.584 nan 8.310 nan 0.000 0.565 373 S N 0.771 116.513 115.700 0.070 0.000 2.555 373 S HA 0.254 4.721 4.470 -0.005 0.000 0.293 373 S C 1.025 175.666 174.600 0.068 0.000 1.248 373 S CA 0.620 58.858 58.200 0.062 0.000 1.096 373 S CB -1.479 61.754 63.200 0.054 0.000 0.881 373 S HN 2.245 nan 8.310 nan 0.000 0.498 374 S N 2.847 118.587 115.700 0.068 0.000 2.857 374 S HA -0.176 4.291 4.470 -0.005 0.000 0.268 374 S C 0.327 175.003 174.600 0.127 0.000 1.297 374 S CA 1.055 59.300 58.200 0.075 0.000 1.280 374 S CB -1.997 61.238 63.200 0.058 0.000 1.562 374 S HN 0.698 nan 8.310 nan 0.000 0.661 375 L N 1.887 123.205 121.223 0.158 0.000 2.766 375 L HA 0.361 4.698 4.340 -0.005 0.000 0.242 375 L C 2.168 179.211 176.870 0.288 0.000 1.136 375 L CA 0.693 55.710 54.840 0.294 0.000 0.933 375 L CB 0.208 42.407 42.059 0.232 0.000 1.241 375 L HN 0.521 nan 8.230 nan 0.000 0.522 376 E N 0.674 120.965 120.200 0.151 0.000 2.265 376 E HA -0.288 4.059 4.350 -0.005 0.000 0.196 376 E C 1.707 178.342 176.600 0.059 0.000 0.996 376 E CA 0.955 57.416 56.400 0.101 0.000 0.832 376 E CB -0.285 29.450 29.700 0.058 0.000 0.756 376 E HN 0.461 nan 8.360 nan 0.000 0.491 377 K N 0.553 120.953 120.400 -0.000 0.000 2.152 377 K HA -0.141 4.176 4.320 -0.005 0.000 0.206 377 K C -0.138 176.333 176.600 -0.216 0.000 1.048 377 K CA 0.751 56.941 56.287 -0.161 0.000 0.933 377 K CB -0.131 32.182 32.500 -0.312 0.000 0.721 377 K HN 0.133 nan 8.250 nan 0.000 0.447 378 Y N 0.002 120.368 120.300 0.110 0.000 2.383 378 Y HA 0.249 4.796 4.550 -0.004 0.000 0.344 378 Y C 0.985 176.936 175.900 0.085 0.000 0.986 378 Y CA -0.343 57.839 58.100 0.137 0.000 1.175 378 Y CB 1.433 40.078 38.460 0.309 0.000 1.152 378 Y HN 0.027 nan 8.280 nan 0.000 0.511 379 A N 2.321 125.229 122.820 0.148 0.000 2.167 379 A HA 0.170 4.487 4.320 -0.005 0.000 0.214 379 A C 0.625 178.234 177.584 0.042 0.000 1.151 379 A CA 0.934 53.016 52.037 0.075 0.000 0.735 379 A CB 0.040 19.060 19.000 0.034 0.000 0.802 379 A HN 0.663 nan 8.150 nan 0.000 0.467 380 T N -2.335 112.233 114.554 0.022 0.000 2.957 380 T HA 0.270 4.617 4.350 -0.005 0.000 0.336 380 T C 0.891 175.370 174.700 -0.370 0.000 1.462 380 T CA 0.025 62.057 62.100 -0.114 0.000 1.073 380 T CB 1.578 70.395 68.868 -0.084 0.000 1.319 380 T HN 0.282 nan 8.240 nan 0.000 0.485 381 S N 1.600 116.934 115.700 -0.610 0.000 2.447 381 S HA -0.105 4.362 4.470 -0.005 0.000 0.233 381 S C 1.299 175.450 174.600 -0.749 0.000 1.006 381 S CA 1.300 58.716 58.200 -1.305 0.000 0.957 381 S CB -0.611 62.117 63.200 -0.787 0.000 0.773 381 S HN 0.730 nan 8.310 nan 0.000 0.507 382 N N 1.699 120.194 118.700 -0.342 0.000 2.443 382 N HA -0.052 4.686 4.740 -0.005 0.000 0.184 382 N C 1.289 176.757 175.510 -0.071 0.000 1.037 382 N CA 1.195 54.152 53.050 -0.155 0.000 0.896 382 N CB -0.139 38.289 38.487 -0.098 0.000 0.959 382 N HN 0.607 nan 8.380 nan 0.000 0.442 383 E N -0.123 120.039 120.200 -0.064 0.000 2.474 383 E HA 0.107 4.454 4.350 -0.005 0.000 0.195 383 E C -0.415 176.362 176.600 0.295 0.000 1.039 383 E CA -0.277 56.208 56.400 0.141 0.000 0.881 383 E CB 0.216 30.056 29.700 0.235 0.000 0.970 383 E HN 0.286 nan 8.360 nan 0.000 0.486 384 F N 2.249 122.186 119.950 -0.022 0.000 2.563 384 F HA 0.070 4.594 4.527 -0.005 0.000 0.363 384 F C -1.625 174.151 175.800 -0.040 0.000 1.123 384 F CA -2.343 55.537 58.000 -0.201 0.000 1.307 384 F CB 0.210 39.102 39.000 -0.180 0.000 1.115 384 F HN -0.101 nan 8.300 nan 0.000 0.592 385 P HA 0.066 nan 4.420 nan 0.000 0.274 385 P C -0.267 177.098 177.300 0.108 0.000 1.246 385 P CA -0.227 62.952 63.100 0.132 0.000 0.795 385 P CB 0.727 32.492 31.700 0.109 0.000 1.006 386 D N 0.270 120.729 120.400 0.099 0.000 2.123 386 D HA -0.162 4.475 4.640 -0.005 0.000 0.196 386 D C 1.062 177.419 176.300 0.095 0.000 0.992 386 D CA 1.556 55.614 54.000 0.096 0.000 0.833 386 D CB -0.719 40.129 40.800 0.081 0.000 0.954 386 D HN 0.428 nan 8.370 nan 0.000 0.455 387 D N -0.062 120.383 120.400 0.075 0.000 2.116 387 D HA -0.142 4.495 4.640 -0.005 0.000 0.193 387 D C 1.970 178.313 176.300 0.071 0.000 0.998 387 D CA 1.699 55.741 54.000 0.070 0.000 0.836 387 D CB -0.586 40.235 40.800 0.035 0.000 0.951 387 D HN 0.139 nan 8.370 nan 0.000 0.449 388 T N 0.521 115.085 114.554 0.016 0.000 2.674 388 T HA -0.080 4.267 4.350 -0.005 0.000 0.265 388 T C 2.100 176.852 174.700 0.087 0.000 1.039 388 T CA 0.763 62.841 62.100 -0.036 0.000 1.150 388 T CB -0.409 68.349 68.868 -0.184 0.000 0.864 388 T HN 0.101 nan 8.240 nan 0.000 0.427 389 L N 1.106 122.410 121.223 0.136 0.000 2.046 389 L HA -0.101 4.237 4.340 -0.005 0.000 0.208 389 L C 2.663 179.661 176.870 0.213 0.000 1.077 389 L CA 1.012 55.972 54.840 0.201 0.000 0.747 389 L CB -0.686 41.493 42.059 0.200 0.000 0.896 389 L HN 0.239 nan 8.230 nan 0.000 0.432 390 N N 0.071 118.881 118.700 0.183 0.000 2.120 390 N HA -0.227 4.511 4.740 -0.005 0.000 0.188 390 N C 1.846 177.483 175.510 0.211 0.000 1.024 390 N CA 1.537 54.692 53.050 0.175 0.000 0.852 390 N CB -0.343 38.228 38.487 0.140 0.000 1.003 390 N HN 0.243 nan 8.380 nan 0.000 0.424 391 F N 1.640 121.641 119.950 0.086 0.000 2.134 391 F HA -0.036 4.488 4.527 -0.005 0.000 0.299 391 F C 2.322 178.195 175.800 0.122 0.000 1.097 391 F CA 0.920 58.977 58.000 0.096 0.000 1.264 391 F CB -0.150 38.791 39.000 -0.097 0.000 1.001 391 F HN -0.068 nan 8.300 nan 0.000 0.479 392 I N 0.204 120.967 120.570 0.321 0.000 2.439 392 I HA -0.257 3.910 4.170 -0.005 0.000 0.251 392 I C 2.372 178.608 176.117 0.199 0.000 1.139 392 I CA 1.142 62.573 61.300 0.219 0.000 1.438 392 I CB -0.369 37.756 38.000 0.208 0.000 1.085 392 I HN 0.152 nan 8.210 nan 0.000 0.427 393 K N -0.022 120.563 120.400 0.309 0.000 2.147 393 K HA -0.160 4.157 4.320 -0.005 0.000 0.205 393 K C 1.560 178.366 176.600 0.343 0.000 1.049 393 K CA 1.908 58.482 56.287 0.479 0.000 0.936 393 K CB 0.062 32.781 32.500 0.365 0.000 0.722 393 K HN 0.305 nan 8.250 nan 0.000 0.446 394 T N -0.942 113.650 114.554 0.064 0.000 3.037 394 T HA 0.043 4.390 4.350 -0.005 0.000 0.252 394 T C -0.231 174.149 174.700 -0.534 0.000 1.073 394 T CA 0.459 62.416 62.100 -0.238 0.000 1.091 394 T CB 0.054 68.669 68.868 -0.422 0.000 0.935 394 T HN 0.274 nan 8.240 nan 0.000 0.488 395 H N 0.691 119.639 119.070 -0.203 0.000 2.380 395 H HA 0.304 4.857 4.556 -0.005 0.000 0.231 395 H C -2.232 173.081 175.328 -0.025 0.000 1.415 395 H CA -1.743 54.199 56.048 -0.177 0.000 1.433 395 H CB 0.899 30.322 29.762 -0.565 0.000 1.544 395 H HN 0.085 nan 8.280 nan 0.000 0.503 396 P HA -0.022 nan 4.420 nan 0.000 0.240 396 P C -0.022 177.291 177.300 0.022 0.000 1.190 396 P CA 0.049 63.101 63.100 -0.079 0.000 0.781 396 P CB 0.676 32.165 31.700 -0.351 0.000 0.931 397 L N 0.551 121.851 121.223 0.128 0.000 2.265 397 L HA 0.341 4.679 4.340 -0.005 0.000 0.288 397 L C 0.037 177.015 176.870 0.180 0.000 1.058 397 L CA -0.534 54.370 54.840 0.106 0.000 0.809 397 L CB 0.123 42.209 42.059 0.045 0.000 1.179 397 L HN -0.227 nan 8.230 nan 0.000 0.429 398 M N 2.993 122.639 119.600 0.077 0.000 2.240 398 M HA 0.083 4.560 4.480 -0.005 0.000 0.333 398 M C 1.019 177.310 176.300 -0.015 0.000 1.110 398 M CA 0.140 55.428 55.300 -0.020 0.000 1.173 398 M CB 0.310 32.800 32.600 -0.185 0.000 1.458 398 M HN 0.691 nan 8.290 nan 0.000 0.458 399 D N 1.118 121.512 120.400 -0.009 0.000 2.149 399 D HA -0.065 4.572 4.640 -0.005 0.000 0.201 399 D C 0.263 176.536 176.300 -0.045 0.000 0.972 399 D CA 1.185 55.198 54.000 0.022 0.000 0.835 399 D CB 0.482 41.314 40.800 0.054 0.000 0.966 399 D HN 0.633 nan 8.370 nan 0.000 0.476 400 E N -0.458 119.677 120.200 -0.109 0.000 2.319 400 E HA 0.499 4.847 4.350 -0.005 0.000 0.268 400 E C -1.001 175.493 176.600 -0.177 0.000 1.050 400 E CA -0.756 55.566 56.400 -0.131 0.000 0.878 400 E CB 1.410 31.021 29.700 -0.147 0.000 1.066 400 E HN 0.207 nan 8.360 nan 0.000 0.406 401 A N 2.344 125.066 122.820 -0.163 0.000 2.303 401 A HA 0.369 4.686 4.320 -0.005 0.000 0.317 401 A C -0.539 176.938 177.584 -0.179 0.000 1.149 401 A CA -0.665 51.257 52.037 -0.192 0.000 0.822 401 A CB 0.961 19.850 19.000 -0.185 0.000 1.131 401 A HN 0.406 nan 8.150 nan 0.000 0.493 402 V N 4.403 124.197 119.914 -0.199 0.000 2.439 402 V HA 0.217 4.334 4.120 -0.005 0.000 0.271 402 V C -1.825 174.275 176.094 0.011 0.000 1.040 402 V CA -0.984 61.229 62.300 -0.145 0.000 1.002 402 V CB 0.388 32.081 31.823 -0.217 0.000 1.000 402 V HN 0.815 nan 8.190 nan 0.000 0.477 403 P HA 0.158 nan 4.420 nan 0.000 0.271 403 P C -0.104 177.240 177.300 0.073 0.000 1.218 403 P CA -0.073 63.041 63.100 0.022 0.000 0.780 403 P CB 1.032 32.716 31.700 -0.026 0.000 0.901 404 S N 2.460 118.122 115.700 -0.064 0.000 2.652 404 S HA 0.396 4.864 4.470 -0.005 0.000 0.270 404 S C 0.477 174.950 174.600 -0.210 0.000 1.243 404 S CA -0.843 57.111 58.200 -0.410 0.000 0.999 404 S CB 0.135 62.988 63.200 -0.577 0.000 0.973 404 S HN 0.313 nan 8.310 nan 0.000 0.544 405 I N 2.304 122.745 120.570 -0.214 0.000 2.517 405 I HA 0.128 4.295 4.170 -0.005 0.000 0.285 405 I C 1.009 177.231 176.117 0.176 0.000 1.106 405 I CA 0.124 61.450 61.300 0.042 0.000 1.402 405 I CB -0.057 38.053 38.000 0.183 0.000 1.399 405 I HN 0.905 nan 8.210 nan 0.000 0.535 406 I N 2.552 123.176 120.570 0.091 0.000 5.684 406 I HA -0.402 3.765 4.170 -0.005 0.000 0.129 406 I C 0.189 176.317 176.117 0.019 0.000 1.816 406 I CA 0.950 62.282 61.300 0.053 0.000 2.039 406 I CB -2.619 35.405 38.000 0.041 0.000 3.376 406 I HN 0.966 nan 8.210 nan 0.000 0.170 407 N N 1.134 119.826 118.700 -0.014 0.000 2.710 407 N HA -0.256 4.481 4.740 -0.005 0.000 0.249 407 N C 0.059 175.537 175.510 -0.054 0.000 1.059 407 N CA 1.497 54.516 53.050 -0.051 0.000 0.720 407 N CB -0.610 37.849 38.487 -0.047 0.000 0.983 407 N HN 1.003 nan 8.380 nan 0.000 0.544 408 R N -3.771 116.708 120.500 -0.036 0.000 2.709 408 R HA 0.522 4.860 4.340 -0.005 0.000 0.270 408 R C -3.565 172.735 176.300 0.001 0.000 1.038 408 R CA -1.701 54.377 56.100 -0.036 0.000 0.872 408 R CB 0.756 31.038 30.300 -0.030 0.000 1.259 408 R HN -0.273 nan 8.270 nan 0.000 0.473 409 P HA 0.043 nan 4.420 nan 0.000 0.269 409 P C -0.256 177.124 177.300 0.132 0.000 1.209 409 P CA -0.397 62.664 63.100 -0.064 0.000 0.776 409 P CB 0.248 31.835 31.700 -0.189 0.000 0.876 410 W N 1.785 123.000 121.300 -0.142 0.000 2.863 410 W HA 0.295 4.951 4.660 -0.006 0.000 0.258 410 W C 0.294 176.661 176.519 -0.253 0.000 1.298 410 W CA 0.543 57.809 57.345 -0.130 0.000 1.451 410 W CB -0.597 28.864 29.460 0.002 0.000 1.107 410 W HN 0.206 nan 8.180 nan 0.000 0.641 411 F N 0.011 119.801 119.950 -0.266 0.000 2.604 411 F HA 0.499 5.025 4.527 -0.003 0.000 0.316 411 F C -1.231 174.367 175.800 -0.337 0.000 1.136 411 F CA -1.138 56.566 58.000 -0.493 0.000 0.989 411 F CB 0.913 39.371 39.000 -0.903 0.000 1.258 411 F HN -0.463 nan 8.300 nan 0.000 0.451 412 L N 5.796 126.606 121.223 -0.689 0.000 2.386 412 L HA 0.666 5.003 4.340 -0.005 0.000 0.271 412 L C -0.833 175.768 176.870 -0.448 0.000 0.993 412 L CA -0.981 53.601 54.840 -0.430 0.000 0.819 412 L CB 2.125 43.991 42.059 -0.321 0.000 1.294 412 L HN 0.472 nan 8.230 nan 0.000 0.414 413 R N 1.079 121.494 120.500 -0.141 0.000 2.439 413 R HA 0.420 4.757 4.340 -0.005 0.000 0.310 413 R C 0.181 176.499 176.300 0.031 0.000 0.955 413 R CA -0.167 55.896 56.100 -0.062 0.000 0.853 413 R CB 1.914 32.249 30.300 0.058 0.000 1.171 413 R HN 0.832 nan 8.270 nan 0.000 0.449 414 T N -1.564 113.002 114.554 0.018 0.000 3.041 414 T HA 0.243 4.590 4.350 -0.005 0.000 0.276 414 T C 0.959 175.665 174.700 0.011 0.000 0.948 414 T CA -0.166 61.983 62.100 0.082 0.000 0.885 414 T CB 0.344 69.333 68.868 0.201 0.000 1.175 414 T HN 0.371 nan 8.240 nan 0.000 0.529 415 M N 2.708 122.291 119.600 -0.029 0.000 2.785 415 M HA 0.418 4.896 4.480 -0.005 0.000 0.374 415 M C -0.717 175.537 176.300 -0.077 0.000 1.221 415 M CA -0.445 54.833 55.300 -0.035 0.000 0.912 415 M CB 1.369 33.963 32.600 -0.009 0.000 1.355 415 M HN 0.324 nan 8.290 nan 0.000 0.513 416 V N -3.048 116.769 119.914 -0.163 0.000 3.040 416 V HA 0.597 4.714 4.120 -0.005 0.000 0.312 416 V C 0.124 176.059 176.094 -0.264 0.000 1.115 416 V CA -0.978 61.143 62.300 -0.298 0.000 0.998 416 V CB 2.030 33.413 31.823 -0.734 0.000 1.042 416 V HN 0.330 nan 8.190 nan 0.000 0.433 417 R N 0.840 121.239 120.500 -0.168 0.000 2.320 417 R HA 0.310 4.647 4.340 -0.005 0.000 0.211 417 R C -0.209 176.121 176.300 0.050 0.000 0.931 417 R CA 0.259 56.342 56.100 -0.029 0.000 1.071 417 R CB -0.473 29.849 30.300 0.035 0.000 1.025 417 R HN 0.847 nan 8.270 nan 0.000 0.495 418 Y N -2.302 118.050 120.300 0.088 0.000 2.549 418 Y HA 0.675 5.223 4.550 -0.003 0.000 0.339 418 Y C -0.135 175.835 175.900 0.117 0.000 1.053 418 Y CA -2.067 56.088 58.100 0.091 0.000 1.105 418 Y CB 1.014 39.533 38.460 0.098 0.000 1.258 418 Y HN -0.315 nan 8.280 nan 0.000 0.478 419 R N 1.621 122.343 120.500 0.369 0.000 2.598 419 R HA 0.606 4.943 4.340 -0.005 0.000 0.279 419 R C -1.167 175.358 176.300 0.376 0.000 0.984 419 R CA -0.974 55.325 56.100 0.331 0.000 0.999 419 R CB 1.471 31.937 30.300 0.277 0.000 1.114 419 R HN 0.748 nan 8.270 nan 0.000 0.493 420 L N 1.946 123.363 121.223 0.324 0.000 2.290 420 L HA 0.262 4.599 4.340 -0.005 0.000 0.284 420 L C 1.127 178.105 176.870 0.180 0.000 1.078 420 L CA -0.023 54.971 54.840 0.256 0.000 0.815 420 L CB 1.425 43.634 42.059 0.250 0.000 1.162 420 L HN 0.923 nan 8.230 nan 0.000 0.435 421 T N -0.468 114.165 114.554 0.131 0.000 3.330 421 T HA 0.271 4.619 4.350 -0.005 0.000 0.185 421 T C 0.574 175.311 174.700 0.063 0.000 0.874 421 T CA -0.571 61.589 62.100 0.100 0.000 1.268 421 T CB 0.197 69.123 68.868 0.096 0.000 1.866 421 T HN 0.118 nan 8.240 nan 0.000 0.395 422 K N 1.446 121.872 120.400 0.044 0.000 2.276 422 K HA 0.582 4.899 4.320 -0.005 0.000 0.259 422 K C -0.449 176.168 176.600 0.029 0.000 1.001 422 K CA -0.371 55.931 56.287 0.025 0.000 0.927 422 K CB 0.665 33.167 32.500 0.003 0.000 0.969 422 K HN 0.626 nan 8.250 nan 0.000 0.490 423 I N -0.433 120.147 120.570 0.017 0.000 2.644 423 I HA 0.427 4.595 4.170 -0.005 0.000 0.291 423 I C -1.652 174.480 176.117 0.024 0.000 1.180 423 I CA -0.483 60.832 61.300 0.024 0.000 1.040 423 I CB 1.828 39.832 38.000 0.007 0.000 1.255 423 I HN 0.632 nan 8.210 nan 0.000 0.422 424 A N 6.958 129.816 122.820 0.064 0.000 2.398 424 A HA 0.809 5.126 4.320 -0.005 0.000 0.301 424 A C -1.759 175.911 177.584 0.142 0.000 1.041 424 A CA -0.482 51.597 52.037 0.071 0.000 0.711 424 A CB 1.794 20.807 19.000 0.021 0.000 1.240 424 A HN 0.429 nan 8.150 nan 0.000 0.420 425 V N 2.075 122.046 119.914 0.095 0.000 2.540 425 V HA 0.474 4.591 4.120 -0.005 0.000 0.302 425 V C -1.064 175.105 176.094 0.125 0.000 1.035 425 V CA -0.529 61.829 62.300 0.097 0.000 0.873 425 V CB 2.003 33.844 31.823 0.030 0.000 0.992 425 V HN 0.916 nan 8.190 nan 0.000 0.428 426 D N 3.370 123.877 120.400 0.179 0.000 2.460 426 D HA 0.219 4.856 4.640 -0.005 0.000 0.232 426 D C 0.670 177.043 176.300 0.122 0.000 1.079 426 D CA -0.446 53.661 54.000 0.180 0.000 0.864 426 D CB 1.022 42.015 40.800 0.321 0.000 1.048 426 D HN 0.585 nan 8.370 nan 0.000 0.523 427 N N 2.708 121.463 118.700 0.092 0.000 2.322 427 N HA 0.051 4.788 4.740 -0.005 0.000 0.194 427 N C -0.081 175.468 175.510 0.065 0.000 1.126 427 N CA -0.219 52.874 53.050 0.071 0.000 0.845 427 N CB 0.435 38.961 38.487 0.064 0.000 0.976 427 N HN 0.191 nan 8.380 nan 0.000 0.475 428 A N -0.450 122.418 122.820 0.079 0.000 2.959 428 A HA 0.734 5.051 4.320 -0.005 0.000 0.280 428 A C 0.175 177.810 177.584 0.086 0.000 0.953 428 A CA -0.447 51.632 52.037 0.069 0.000 1.047 428 A CB -0.306 18.734 19.000 0.066 0.000 1.147 428 A HN 0.393 nan 8.150 nan 0.000 0.489 429 A N 0.088 122.951 122.820 0.072 0.000 2.340 429 A HA 0.789 5.106 4.320 -0.005 0.000 0.268 429 A C 0.900 178.477 177.584 -0.010 0.000 1.100 429 A CA 0.467 52.506 52.037 0.003 0.000 0.803 429 A CB 0.092 18.954 19.000 -0.230 0.000 1.043 429 A HN 2.341 nan 8.150 nan 0.000 0.488 430 G N 1.619 110.378 108.800 -0.068 0.000 2.612 430 G HA2 -0.010 3.947 3.960 -0.005 0.000 0.686 430 G HA3 -0.010 3.947 3.960 -0.005 0.000 0.686 430 G C -1.635 173.186 174.900 -0.130 0.000 1.274 430 G CA -0.192 44.875 45.100 -0.055 0.000 0.849 430 G HN 0.610 nan 8.290 nan 0.000 0.595 431 P HA -0.095 nan 4.420 nan 0.000 0.218 431 P C 0.870 177.845 177.300 -0.542 0.000 1.148 431 P CA 1.746 64.471 63.100 -0.624 0.000 0.822 431 P CB -0.055 30.932 31.700 -1.188 0.000 0.784 432 Y N -0.397 119.885 120.300 -0.029 0.000 2.532 432 Y HA 0.229 4.776 4.550 -0.005 0.000 0.283 432 Y C 0.877 176.756 175.900 -0.035 0.000 1.181 432 Y CA -0.528 57.563 58.100 -0.014 0.000 1.256 432 Y CB -1.071 37.391 38.460 0.005 0.000 1.112 432 Y HN -0.006 nan 8.280 nan 0.000 0.521 433 Q N 1.760 121.591 119.800 0.050 0.000 2.406 433 Q HA -0.273 4.064 4.340 -0.005 0.000 0.339 433 Q C -0.096 175.919 176.000 0.024 0.000 1.337 433 Q CA 0.835 56.662 55.803 0.041 0.000 0.985 433 Q CB -1.443 27.319 28.738 0.040 0.000 1.216 433 Q HN 0.729 nan 8.270 nan 0.000 0.415 434 N N -1.516 117.166 118.700 -0.030 0.000 2.167 434 N HA 0.063 4.800 4.740 -0.005 0.000 0.234 434 N C -0.743 174.622 175.510 -0.242 0.000 1.312 434 N CA -0.149 52.827 53.050 -0.122 0.000 0.861 434 N CB 0.429 38.830 38.487 -0.145 0.000 1.217 434 N HN 0.345 nan 8.380 nan 0.000 0.504 435 H N -0.409 118.655 119.070 -0.010 0.000 2.533 435 H HA 0.573 5.126 4.556 -0.005 0.000 0.343 435 H C -0.557 174.743 175.328 -0.047 0.000 1.160 435 H CA -0.436 55.586 56.048 -0.043 0.000 1.218 435 H CB 1.821 31.527 29.762 -0.093 0.000 1.566 435 H HN -0.129 nan 8.280 nan 0.000 0.522 436 T N 2.808 117.419 114.554 0.095 0.000 2.788 436 T HA 0.339 4.686 4.350 -0.005 0.000 0.296 436 T C -0.727 173.943 174.700 -0.049 0.000 1.009 436 T CA -0.632 61.488 62.100 0.034 0.000 0.949 436 T CB 0.235 69.136 68.868 0.054 0.000 0.946 436 T HN 0.181 nan 8.240 nan 0.000 0.453 437 V N 4.587 124.457 119.914 -0.073 0.000 2.459 437 V HA 0.539 4.657 4.120 -0.005 0.000 0.295 437 V C -0.113 175.827 176.094 -0.256 0.000 1.029 437 V CA -0.784 61.395 62.300 -0.203 0.000 0.874 437 V CB 1.849 33.590 31.823 -0.137 0.000 0.985 437 V HN 0.636 nan 8.190 nan 0.000 0.438 438 V N 5.025 124.558 119.914 -0.635 0.000 2.459 438 V HA 0.540 4.657 4.120 -0.005 0.000 0.295 438 V C -0.731 174.963 176.094 -0.667 0.000 1.029 438 V CA -0.506 61.406 62.300 -0.647 0.000 0.874 438 V CB 1.519 32.642 31.823 -1.167 0.000 0.985 438 V HN 0.672 nan 8.190 nan 0.000 0.438 439 F N 4.771 124.601 119.950 -0.200 0.000 2.444 439 F HA 0.648 5.172 4.527 -0.004 0.000 0.342 439 F C -0.040 175.715 175.800 -0.075 0.000 1.121 439 F CA -0.550 57.389 58.000 -0.102 0.000 0.997 439 F CB 1.485 40.453 39.000 -0.055 0.000 1.130 439 F HN 0.181 nan 8.300 nan 0.000 0.454 440 L N 3.237 124.512 121.223 0.088 0.000 2.322 440 L HA 0.712 5.050 4.340 -0.005 0.000 0.281 440 L C 0.464 177.383 176.870 0.082 0.000 1.014 440 L CA -0.701 54.183 54.840 0.074 0.000 0.815 440 L CB 1.663 43.751 42.059 0.049 0.000 1.247 440 L HN 0.744 nan 8.230 nan 0.000 0.421 441 G N 1.124 109.960 108.800 0.059 0.000 2.511 441 G HA2 0.737 4.694 3.960 -0.005 0.000 0.316 441 G HA3 0.737 4.694 3.960 -0.005 0.000 0.316 441 G C -0.585 174.332 174.900 0.028 0.000 1.210 441 G CA -0.199 44.915 45.100 0.024 0.000 0.969 441 G HN 0.651 nan 8.290 nan 0.000 0.492 442 S N -1.909 113.788 115.700 -0.005 0.000 0.000 442 S HA 0.378 4.845 4.470 -0.005 0.000 0.000 442 S C 0.321 174.941 174.600 0.034 0.000 0.000 442 S CA -0.647 57.562 58.200 0.015 0.000 0.000 442 S CB 1.766 64.881 63.200 -0.143 0.000 0.000 442 S HN 0.518 nan 8.310 nan 0.000 0.000 443 E N 0.162 120.410 120.200 0.079 0.000 2.358 443 E HA 0.078 4.425 4.350 -0.005 0.000 0.195 443 E C 0.329 176.963 176.600 0.058 0.000 1.010 443 E CA 0.468 56.911 56.400 0.073 0.000 0.856 443 E CB 0.041 29.789 29.700 0.081 0.000 0.795 443 E HN 0.282 nan 8.360 nan 0.000 0.504 444 K N -0.303 120.118 120.400 0.036 0.000 2.537 444 K HA 0.168 4.485 4.320 -0.005 0.000 0.206 444 K C 0.544 177.158 176.600 0.022 0.000 1.041 444 K CA 0.293 56.590 56.287 0.016 0.000 1.090 444 K CB 1.218 33.758 32.500 0.066 0.000 0.833 444 K HN 0.205 nan 8.250 nan 0.000 0.493 445 G N 1.626 110.511 108.800 0.142 0.000 2.148 445 G HA2 -0.217 3.740 3.960 -0.005 0.000 0.254 445 G HA3 -0.217 3.740 3.960 -0.005 0.000 0.254 445 G C 0.136 175.166 174.900 0.217 0.000 0.981 445 G CA -0.092 45.229 45.100 0.369 0.000 0.670 445 G HN 0.236 nan 8.290 nan 0.000 0.528 446 I N 0.735 121.308 120.570 0.006 0.000 2.359 446 I HA 0.534 4.702 4.170 -0.005 0.000 0.294 446 I C 0.626 176.728 176.117 -0.024 0.000 0.987 446 I CA -1.185 60.082 61.300 -0.056 0.000 1.225 446 I CB 1.317 39.130 38.000 -0.311 0.000 1.366 446 I HN -0.030 nan 8.210 nan 0.000 0.466 447 I N 6.400 127.014 120.570 0.073 0.000 2.404 447 I HA 0.365 4.533 4.170 -0.005 0.000 0.293 447 I C -0.558 175.651 176.117 0.153 0.000 0.992 447 I CA -0.668 60.700 61.300 0.112 0.000 1.149 447 I CB 1.890 39.986 38.000 0.159 0.000 1.315 447 I HN 0.281 nan 8.210 nan 0.000 0.446 448 L N 6.519 127.833 121.223 0.151 0.000 2.330 448 L HA 0.551 4.888 4.340 -0.005 0.000 0.271 448 L C -0.277 176.632 176.870 0.065 0.000 1.013 448 L CA -0.433 54.533 54.840 0.210 0.000 0.816 448 L CB 1.372 43.547 42.059 0.193 0.000 1.287 448 L HN 0.422 nan 8.230 nan 0.000 0.435 449 K N 2.511 122.969 120.400 0.096 0.000 2.578 449 K HA 0.581 4.899 4.320 -0.005 0.000 0.250 449 K C -1.662 174.946 176.600 0.014 0.000 0.955 449 K CA -0.448 55.719 56.287 -0.200 0.000 0.825 449 K CB 1.146 33.494 32.500 -0.254 0.000 1.151 449 K HN 0.475 nan 8.250 nan 0.000 0.432 450 F N 2.308 122.096 119.950 -0.270 0.000 2.603 450 F HA 0.612 5.137 4.527 -0.003 0.000 0.317 450 F C -1.808 173.925 175.800 -0.112 0.000 1.066 450 F CA -1.464 56.464 58.000 -0.120 0.000 0.941 450 F CB 0.957 39.855 39.000 -0.171 0.000 1.291 450 F HN 0.263 nan 8.300 nan 0.000 0.472 451 L N 3.232 124.545 121.223 0.151 0.000 2.275 451 L HA 0.813 5.150 4.340 -0.005 0.000 0.288 451 L C -0.219 176.771 176.870 0.200 0.000 1.046 451 L CA -0.414 54.449 54.840 0.039 0.000 0.805 451 L CB 0.758 42.822 42.059 0.009 0.000 1.193 451 L HN 0.967 nan 8.230 nan 0.000 0.426 452 A N 6.251 129.132 122.820 0.102 0.000 2.302 452 A HA 0.845 5.162 4.320 -0.005 0.000 0.285 452 A C -0.103 177.463 177.584 -0.030 0.000 1.105 452 A CA -0.478 51.633 52.037 0.124 0.000 0.816 452 A CB 0.521 19.643 19.000 0.203 0.000 1.067 452 A HN 0.838 nan 8.150 nan 0.000 0.489 463 S N -0.070 115.590 115.700 -0.066 0.000 2.601 463 S HA 0.603 5.070 4.470 -0.005 0.000 0.271 463 S C -0.683 173.994 174.600 0.130 0.000 1.305 463 S CA -0.138 58.099 58.200 0.061 0.000 1.022 463 S CB 1.505 64.746 63.200 0.069 0.000 0.940 463 S HN 0.612 nan 8.310 nan 0.000 0.525 464 L N 3.373 124.739 121.223 0.239 0.000 2.294 464 L HA 0.460 4.797 4.340 -0.005 0.000 0.283 464 L C -1.007 176.094 176.870 0.386 0.000 1.015 464 L CA -0.444 54.534 54.840 0.230 0.000 0.831 464 L CB 0.544 42.680 42.059 0.129 0.000 1.217 464 L HN 0.585 nan 8.230 nan 0.000 0.420 465 F N 5.922 125.998 119.950 0.211 0.000 2.494 465 F HA 0.218 4.742 4.527 -0.005 0.000 0.351 465 F C 0.597 176.490 175.800 0.155 0.000 1.205 465 F CA -0.341 57.825 58.000 0.277 0.000 1.125 465 F CB 0.093 39.267 39.000 0.290 0.000 1.268 465 F HN 0.533 nan 8.300 nan 0.000 0.593 466 L N 2.713 124.118 121.223 0.303 0.000 2.034 466 L HA 0.086 4.423 4.340 -0.005 0.000 0.203 466 L C 0.630 177.459 176.870 -0.068 0.000 1.074 466 L CA 0.932 55.812 54.840 0.067 0.000 0.748 466 L CB -0.142 41.950 42.059 0.054 0.000 0.905 466 L HN 0.351 nan 8.230 nan 0.000 0.439 467 E N -0.447 119.737 120.200 -0.027 0.000 2.314 467 E HA 0.299 4.647 4.350 -0.005 0.000 0.272 467 E C -1.165 175.445 176.600 0.018 0.000 0.884 467 E CA -0.352 56.015 56.400 -0.054 0.000 0.753 467 E CB 2.846 32.569 29.700 0.039 0.000 1.213 467 E HN 0.038 nan 8.360 nan 0.000 0.432 468 E N 3.952 124.126 120.200 -0.044 0.000 2.218 468 E HA 0.369 4.716 4.350 -0.005 0.000 0.263 468 E C -1.191 175.433 176.600 0.039 0.000 0.879 468 E CA -0.505 55.950 56.400 0.093 0.000 0.762 468 E CB 1.099 30.870 29.700 0.119 0.000 1.166 468 E HN 0.421 nan 8.360 nan 0.000 0.415 469 M N 2.540 122.197 119.600 0.095 0.000 2.327 469 M HA 0.490 4.968 4.480 -0.005 0.000 0.298 469 M C -0.986 175.385 176.300 0.120 0.000 1.065 469 M CA -1.120 54.235 55.300 0.092 0.000 0.916 469 M CB 1.756 34.447 32.600 0.152 0.000 1.630 469 M HN 0.138 nan 8.290 nan 0.000 0.442 470 N N 2.971 121.739 118.700 0.113 0.000 2.415 470 N HA 0.316 5.053 4.740 -0.005 0.000 0.246 470 N C 0.283 175.909 175.510 0.193 0.000 1.078 470 N CA -0.494 52.647 53.050 0.152 0.000 0.942 470 N CB 1.373 39.947 38.487 0.146 0.000 1.140 470 N HN 0.744 nan 8.380 nan 0.000 0.501 471 V N 2.357 122.429 119.914 0.262 0.000 3.660 471 V HA 0.296 4.413 4.120 -0.005 0.000 0.276 471 V C 0.633 176.891 176.094 0.275 0.000 1.317 471 V CA -0.260 62.218 62.300 0.297 0.000 1.097 471 V CB -1.419 30.605 31.823 0.334 0.000 0.863 471 V HN 0.500 nan 8.190 nan 0.000 0.438 472 Y N 3.567 123.923 120.300 0.093 0.000 2.721 472 Y HA 0.276 4.823 4.550 -0.004 0.000 0.329 472 Y C 0.522 176.320 175.900 -0.169 0.000 1.211 472 Y CA 0.133 58.068 58.100 -0.276 0.000 1.512 472 Y CB 0.205 38.459 38.460 -0.344 0.000 1.249 472 Y HN 0.399 nan 8.280 nan 0.000 0.549 473 N N 8.603 126.850 118.700 -0.754 0.000 2.609 473 N HA 0.287 5.024 4.740 -0.005 0.000 0.234 473 N C -2.322 172.778 175.510 -0.683 0.000 1.001 473 N CA -2.545 50.201 53.050 -0.506 0.000 0.926 473 N CB 1.437 39.738 38.487 -0.311 0.000 1.130 473 N HN 0.314 nan 8.380 nan 0.000 0.510 474 P HA -0.098 nan 4.420 nan 0.000 0.215 474 P C 0.506 177.710 177.300 -0.160 0.000 1.157 474 P CA 1.349 64.337 63.100 -0.186 0.000 0.868 474 P CB 0.454 32.164 31.700 0.017 0.000 0.788 475 E N -0.635 119.481 120.200 -0.139 0.000 2.268 475 E HA -0.122 4.226 4.350 -0.005 0.000 0.195 475 E C 1.522 178.048 176.600 -0.123 0.000 0.995 475 E CA 1.055 57.391 56.400 -0.107 0.000 0.836 475 E CB -0.346 29.302 29.700 -0.087 0.000 0.763 475 E HN 0.320 nan 8.360 nan 0.000 0.491 476 K N -1.469 118.832 120.400 -0.166 0.000 2.380 476 K HA 0.210 4.527 4.320 -0.005 0.000 0.198 476 K C 0.909 177.454 176.600 -0.093 0.000 1.070 476 K CA 0.131 56.340 56.287 -0.130 0.000 1.040 476 K CB 0.788 33.211 32.500 -0.128 0.000 0.903 476 K HN 0.115 nan 8.250 nan 0.000 0.549 477 c N 0.382 118.862 118.600 -0.199 0.000 3.123 477 c HA 0.200 4.767 4.570 -0.005 0.000 0.399 477 c C 0.737 174.890 174.090 0.105 0.000 1.320 477 c CA -0.415 55.823 56.329 -0.151 0.000 1.949 477 c CB 0.337 42.444 42.510 -0.671 0.000 2.692 477 c HN 0.137 nan 8.230 nan 0.000 0.623 478 S N 0.853 116.600 115.700 0.077 0.000 2.516 478 S HA 0.140 4.608 4.470 -0.005 0.000 0.282 478 S C 0.063 174.780 174.600 0.195 0.000 1.286 478 S CA 0.038 58.343 58.200 0.176 0.000 1.066 478 S CB 0.397 63.663 63.200 0.111 0.000 0.884 478 S HN 0.435 nan 8.310 nan 0.000 0.491 479 Y N 1.379 121.697 120.300 0.031 0.000 2.500 479 Y HA 0.138 4.686 4.550 -0.005 0.000 0.284 479 Y C 1.407 177.322 175.900 0.024 0.000 1.118 479 Y CA 0.416 58.529 58.100 0.021 0.000 1.241 479 Y CB 0.424 38.898 38.460 0.023 0.000 1.171 479 Y HN 0.646 nan 8.280 nan 0.000 0.540 480 D N -2.415 118.068 120.400 0.139 0.000 3.625 480 D HA 0.169 4.807 4.640 -0.005 0.000 0.181 480 D C 1.714 178.047 176.300 0.056 0.000 1.109 480 D CA 0.468 54.511 54.000 0.072 0.000 1.379 480 D CB -0.325 40.526 40.800 0.084 0.000 1.015 480 D HN 0.108 nan 8.370 nan 0.000 0.231 481 G N 0.846 109.680 108.800 0.056 0.000 2.403 481 G HA2 -0.015 3.943 3.960 -0.005 0.000 0.216 481 G HA3 -0.015 3.943 3.960 -0.005 0.000 0.216 481 G C 0.817 175.754 174.900 0.062 0.000 1.154 481 G CA 0.365 45.494 45.100 0.049 0.000 0.784 481 G HN 0.186 nan 8.290 nan 0.000 0.538 482 V N 1.422 121.382 119.914 0.076 0.000 2.599 482 V HA 0.118 4.235 4.120 -0.005 0.000 0.300 482 V C -0.066 176.089 176.094 0.101 0.000 1.034 482 V CA 0.125 62.471 62.300 0.076 0.000 1.115 482 V CB 0.896 32.765 31.823 0.077 0.000 0.934 482 V HN 0.309 nan 8.190 nan 0.000 0.485 483 E N 2.900 123.140 120.200 0.066 0.000 2.121 483 E HA 0.204 4.551 4.350 -0.005 0.000 0.255 483 E C -0.964 175.598 176.600 -0.063 0.000 0.906 483 E CA -0.446 55.983 56.400 0.047 0.000 0.745 483 E CB 1.196 30.897 29.700 0.002 0.000 1.155 483 E HN 0.638 nan 8.360 nan 0.000 0.424 484 D N 2.918 123.312 120.400 -0.009 0.000 2.479 484 D HA 0.069 4.706 4.640 -0.005 0.000 0.218 484 D C 0.212 176.454 176.300 -0.097 0.000 1.131 484 D CA -0.224 53.762 54.000 -0.023 0.000 0.916 484 D CB 0.438 41.276 40.800 0.064 0.000 1.022 484 D HN 0.139 nan 8.370 nan 0.000 0.515 485 K N 2.329 122.555 120.400 -0.290 0.000 2.504 485 K HA 0.132 4.450 4.320 -0.005 0.000 0.199 485 K C 0.415 177.117 176.600 0.170 0.000 1.028 485 K CA -0.116 55.939 56.287 -0.386 0.000 1.164 485 K CB 0.474 32.639 32.500 -0.558 0.000 0.877 485 K HN 0.131 nan 8.250 nan 0.000 0.508 486 R N 1.133 121.748 120.500 0.191 0.000 2.340 486 R HA 0.242 4.580 4.340 -0.005 0.000 0.300 486 R C -0.016 176.363 176.300 0.132 0.000 1.069 486 R CA -0.254 55.938 56.100 0.153 0.000 0.984 486 R CB 0.776 31.127 30.300 0.084 0.000 1.003 486 R HN 0.048 nan 8.270 nan 0.000 0.459 487 I N 4.076 124.612 120.570 -0.058 0.000 2.379 487 I HA -0.035 4.132 4.170 -0.005 0.000 0.290 487 I C 1.290 177.333 176.117 -0.124 0.000 1.063 487 I CA -0.009 61.114 61.300 -0.294 0.000 1.351 487 I CB 0.974 38.799 38.000 -0.292 0.000 1.410 487 I HN 0.551 nan 8.210 nan 0.000 0.505 488 M N 4.523 124.055 119.600 -0.114 0.000 2.514 488 M HA 0.260 4.737 4.480 -0.005 0.000 0.258 488 M C 0.802 177.093 176.300 -0.016 0.000 1.119 488 M CA 0.256 55.545 55.300 -0.019 0.000 1.111 488 M CB -0.427 32.185 32.600 0.020 0.000 1.390 488 M HN 0.716 nan 8.290 nan 0.000 0.475 489 G N 0.621 109.387 108.800 -0.056 0.000 2.404 489 G HA2 0.486 4.443 3.960 -0.005 0.000 0.298 489 G HA3 0.486 4.443 3.960 -0.005 0.000 0.298 489 G C -1.480 173.389 174.900 -0.051 0.000 1.577 489 G CA -0.887 44.196 45.100 -0.029 0.000 0.847 489 G HN 0.087 nan 8.290 nan 0.000 0.598 490 M N 1.245 120.826 119.600 -0.031 0.000 2.457 490 M HA 0.531 5.008 4.480 -0.005 0.000 0.300 490 M C -1.133 175.159 176.300 -0.013 0.000 1.141 490 M CA -0.947 54.332 55.300 -0.035 0.000 0.901 490 M CB 2.797 35.365 32.600 -0.052 0.000 1.687 490 M HN 0.338 nan 8.290 nan 0.000 0.449 491 Q N 3.013 122.816 119.800 0.006 0.000 2.290 491 Q HA 0.512 4.849 4.340 -0.005 0.000 0.269 491 Q C -1.535 174.468 176.000 0.005 0.000 1.016 491 Q CA -0.488 55.327 55.803 0.019 0.000 0.754 491 Q CB 3.282 32.042 28.738 0.038 0.000 1.247 491 Q HN 0.766 nan 8.270 nan 0.000 0.451 492 L N 2.698 123.892 121.223 -0.049 0.000 2.290 492 L HA 0.287 4.625 4.340 -0.005 0.000 0.284 492 L C -0.586 176.265 176.870 -0.031 0.000 1.078 492 L CA 0.005 54.779 54.840 -0.109 0.000 0.815 492 L CB 0.669 42.641 42.059 -0.145 0.000 1.162 492 L HN 0.467 nan 8.230 nan 0.000 0.435 493 D N 3.202 123.583 120.400 -0.031 0.000 2.454 493 D HA 0.285 4.923 4.640 -0.005 0.000 0.247 493 D C 0.831 177.111 176.300 -0.034 0.000 1.129 493 D CA -0.427 53.578 54.000 0.009 0.000 0.877 493 D CB 0.984 41.840 40.800 0.093 0.000 1.082 493 D HN 0.438 nan 8.370 nan 0.000 0.537 494 R N 2.461 122.955 120.500 -0.010 0.000 2.073 494 R HA -0.078 4.260 4.340 -0.005 0.000 0.234 494 R C 2.078 178.377 176.300 -0.002 0.000 1.134 494 R CA 1.351 57.454 56.100 0.005 0.000 0.952 494 R CB -0.297 30.035 30.300 0.054 0.000 0.850 494 R HN 0.457 nan 8.270 nan 0.000 0.433 495 A N 1.480 124.302 122.820 0.005 0.000 1.903 495 A HA -0.239 4.079 4.320 -0.005 0.000 0.219 495 A C 2.122 179.691 177.584 -0.025 0.000 1.191 495 A CA 2.326 54.362 52.037 -0.000 0.000 0.638 495 A CB -0.645 18.357 19.000 0.003 0.000 0.823 495 A HN 0.478 nan 8.150 nan 0.000 0.451 496 S N -1.583 114.094 115.700 -0.038 0.000 2.605 496 S HA 0.404 4.871 4.470 -0.005 0.000 0.217 496 S C 1.180 175.684 174.600 -0.161 0.000 0.958 496 S CA 0.883 59.040 58.200 -0.072 0.000 0.919 496 S CB -0.548 62.638 63.200 -0.023 0.000 0.780 496 S HN 1.999 nan 8.310 nan 0.000 0.507 497 G N 0.729 109.417 108.800 -0.187 0.000 2.356 497 G HA2 -0.206 3.751 3.960 -0.005 0.000 0.296 497 G HA3 -0.206 3.751 3.960 -0.005 0.000 0.296 497 G C -0.082 174.571 174.900 -0.411 0.000 1.022 497 G CA 0.381 45.273 45.100 -0.347 0.000 0.961 497 G HN 0.698 nan 8.290 nan 0.000 0.510 498 S N -1.208 114.283 115.700 -0.348 0.000 2.541 498 S HA 0.691 5.159 4.470 -0.005 0.000 0.280 498 S C -0.619 173.702 174.600 -0.465 0.000 1.112 498 S CA -0.754 57.171 58.200 -0.457 0.000 0.925 498 S CB 2.283 65.181 63.200 -0.503 0.000 1.067 498 S HN 0.924 nan 8.310 nan 0.000 0.479 499 L N 3.080 123.960 121.223 -0.573 0.000 2.305 499 L HA 0.575 4.912 4.340 -0.005 0.000 0.284 499 L C -1.766 174.806 176.870 -0.497 0.000 1.013 499 L CA -0.304 54.237 54.840 -0.499 0.000 0.819 499 L CB 0.370 42.059 42.059 -0.618 0.000 1.227 499 L HN 0.646 nan 8.230 nan 0.000 0.417 500 Y N 4.297 124.485 120.300 -0.186 0.000 2.327 500 Y HA 0.506 5.053 4.550 -0.005 0.000 0.336 500 Y C -0.056 175.773 175.900 -0.118 0.000 1.035 500 Y CA -0.315 57.707 58.100 -0.130 0.000 1.165 500 Y CB 1.452 39.847 38.460 -0.109 0.000 1.181 500 Y HN 0.293 nan 8.280 nan 0.000 0.494 501 V N 3.896 123.817 119.914 0.012 0.000 2.378 501 V HA 0.642 4.760 4.120 -0.005 0.000 0.288 501 V C -0.208 175.843 176.094 -0.072 0.000 1.016 501 V CA -1.013 61.242 62.300 -0.075 0.000 0.840 501 V CB 1.215 32.985 31.823 -0.089 0.000 0.994 501 V HN 0.849 nan 8.190 nan 0.000 0.431 502 A N 5.524 128.262 122.820 -0.136 0.000 2.260 502 A HA 0.868 5.185 4.320 -0.005 0.000 0.314 502 A C -0.702 176.740 177.584 -0.236 0.000 1.257 502 A CA -0.245 51.755 52.037 -0.062 0.000 0.871 502 A CB 0.235 19.243 19.000 0.013 0.000 1.166 502 A HN 0.592 nan 8.150 nan 0.000 0.522 503 F N 1.050 121.068 119.950 0.114 0.000 2.403 503 F HA 0.364 4.888 4.527 -0.005 0.000 0.326 503 F C 1.946 177.799 175.800 0.089 0.000 1.099 503 F CA 0.303 58.378 58.000 0.125 0.000 1.036 503 F CB 1.118 40.245 39.000 0.211 0.000 1.336 503 F HN 0.598 nan 8.300 nan 0.000 0.497 504 S N -1.779 114.088 115.700 0.278 0.000 2.515 504 S HA -0.089 4.378 4.470 -0.005 0.000 0.231 504 S C 1.094 175.733 174.600 0.065 0.000 0.987 504 S CA 1.100 59.384 58.200 0.141 0.000 0.936 504 S CB -0.970 62.291 63.200 0.101 0.000 0.766 504 S HN 0.823 nan 8.310 nan 0.000 0.528 505 T N -1.920 112.671 114.554 0.062 0.000 3.043 505 T HA 0.431 4.779 4.350 -0.005 0.000 0.272 505 T C 0.425 175.058 174.700 -0.113 0.000 0.990 505 T CA 0.123 62.124 62.100 -0.166 0.000 0.897 505 T CB -0.506 68.239 68.868 -0.204 0.000 1.111 505 T HN 0.824 nan 8.240 nan 0.000 0.529 506 c N -0.214 118.435 118.600 0.081 0.000 3.307 506 c HA 0.860 5.427 4.570 -0.005 0.000 0.333 506 c C -1.358 172.883 174.090 0.251 0.000 1.291 506 c CA -1.065 55.327 56.329 0.106 0.000 1.273 506 c CB 1.324 43.865 42.510 0.053 0.000 1.580 506 c HN 0.190 nan 8.230 nan 0.000 0.481 507 V N 1.959 122.027 119.914 0.255 0.000 2.531 507 V HA 0.570 4.687 4.120 -0.005 0.000 0.301 507 V C -0.263 175.965 176.094 0.223 0.000 1.034 507 V CA -0.321 62.132 62.300 0.253 0.000 0.865 507 V CB 1.599 33.550 31.823 0.213 0.000 0.995 507 V HN 0.829 nan 8.190 nan 0.000 0.424 508 I N 3.912 124.609 120.570 0.212 0.000 2.377 508 I HA 0.444 4.611 4.170 -0.005 0.000 0.293 508 I C 0.158 176.270 176.117 -0.009 0.000 0.987 508 I CA -0.613 60.771 61.300 0.140 0.000 1.185 508 I CB 1.673 39.805 38.000 0.221 0.000 1.341 508 I HN 0.532 nan 8.210 nan 0.000 0.455 509 K N 6.600 126.933 120.400 -0.113 0.000 2.263 509 K HA 0.436 4.754 4.320 -0.005 0.000 0.282 509 K C -1.323 174.978 176.600 -0.499 0.000 1.089 509 K CA -0.330 55.680 56.287 -0.463 0.000 0.907 509 K CB 0.811 33.142 32.500 -0.281 0.000 1.148 509 K HN 0.424 nan 8.250 nan 0.000 0.470 510 V N 7.005 126.555 119.914 -0.606 0.000 2.357 510 V HA 0.282 4.400 4.120 -0.005 0.000 0.284 510 V C -2.266 173.445 176.094 -0.638 0.000 1.018 510 V CA -2.403 59.503 62.300 -0.656 0.000 0.841 510 V CB 1.242 32.844 31.823 -0.368 0.000 0.991 510 V HN 0.758 nan 8.190 nan 0.000 0.437 511 P HA 0.183 nan 4.420 nan 0.000 0.268 511 P C 1.118 178.202 177.300 -0.359 0.000 1.204 511 P CA 0.012 62.820 63.100 -0.487 0.000 0.768 511 P CB 0.695 32.159 31.700 -0.393 0.000 0.842 512 L N 1.282 122.256 121.223 -0.415 0.000 2.081 512 L HA -0.077 4.261 4.340 -0.005 0.000 0.212 512 L C 1.411 178.263 176.870 -0.030 0.000 1.080 512 L CA 1.655 56.285 54.840 -0.351 0.000 0.754 512 L CB -0.816 40.709 42.059 -0.891 0.000 0.893 512 L HN 0.506 nan 8.230 nan 0.000 0.433 513 G N -1.155 107.632 108.800 -0.023 0.000 2.569 513 G HA2 0.551 4.508 3.960 -0.005 0.000 0.300 513 G HA3 0.551 4.508 3.960 -0.005 0.000 0.300 513 G C -0.583 174.403 174.900 0.142 0.000 1.269 513 G CA -0.634 44.577 45.100 0.183 0.000 0.959 513 G HN -0.024 nan 8.290 nan 0.000 0.478 514 R N 0.532 121.135 120.500 0.171 0.000 3.335 514 R HA 0.266 4.603 4.340 -0.005 0.000 0.337 514 R C 1.067 177.437 176.300 0.117 0.000 1.283 514 R CA -0.342 55.851 56.100 0.155 0.000 1.246 514 R CB -0.461 29.915 30.300 0.126 0.000 1.464 514 R HN 0.533 nan 8.270 nan 0.000 0.607 515 c N 0.807 119.519 118.600 0.187 0.000 2.413 515 c HA -0.133 4.434 4.570 -0.005 0.000 0.277 515 c C 2.541 176.746 174.090 0.192 0.000 1.265 515 c CA 0.902 57.377 56.329 0.243 0.000 1.752 515 c CB -0.348 42.308 42.510 0.243 0.000 1.998 515 c HN 0.657 nan 8.230 nan 0.000 0.489 516 E N 1.923 122.207 120.200 0.140 0.000 2.160 516 E HA -0.244 4.103 4.350 -0.005 0.000 0.195 516 E C 1.911 178.558 176.600 0.079 0.000 0.991 516 E CA 1.094 57.566 56.400 0.119 0.000 0.810 516 E CB -0.633 29.143 29.700 0.127 0.000 0.742 516 E HN 0.560 nan 8.360 nan 0.000 0.466 517 R N 0.534 121.023 120.500 -0.017 0.000 2.133 517 R HA -0.179 4.158 4.340 -0.005 0.000 0.245 517 R C 2.287 178.498 176.300 -0.148 0.000 1.137 517 R CA 1.998 57.992 56.100 -0.176 0.000 0.947 517 R CB -0.997 29.031 30.300 -0.453 0.000 0.865 517 R HN 0.562 nan 8.270 nan 0.000 0.437 518 H N -0.687 118.433 119.070 0.084 0.000 2.457 518 H HA -0.006 4.547 4.556 -0.005 0.000 0.294 518 H C 1.851 177.263 175.328 0.140 0.000 1.064 518 H CA 0.970 57.082 56.048 0.106 0.000 1.330 518 H CB -0.271 29.571 29.762 0.135 0.000 1.395 518 H HN 0.449 nan 8.280 nan 0.000 0.541 519 G N 1.672 110.607 108.800 0.225 0.000 2.698 519 G HA2 -0.418 3.539 3.960 -0.005 0.000 0.337 519 G HA3 -0.418 3.539 3.960 -0.005 0.000 0.337 519 G C 0.922 175.964 174.900 0.237 0.000 1.196 519 G CA 0.981 46.185 45.100 0.174 0.000 0.965 519 G HN 0.460 nan 8.290 nan 0.000 0.550 520 K N -0.294 120.257 120.400 0.250 0.000 2.397 520 K HA 0.381 4.698 4.320 -0.005 0.000 0.202 520 K C 0.254 177.121 176.600 0.444 0.000 1.022 520 K CA 0.129 56.633 56.287 0.362 0.000 1.141 520 K CB 0.646 33.280 32.500 0.223 0.000 0.857 520 K HN 0.372 nan 8.250 nan 0.000 0.514 521 c N 2.338 121.147 118.600 0.349 0.000 2.203 521 c HA 0.213 4.780 4.570 -0.005 0.000 0.325 521 c C 1.771 175.855 174.090 -0.010 0.000 1.156 521 c CA -0.711 55.702 56.329 0.140 0.000 1.597 521 c CB -0.453 42.133 42.510 0.126 0.000 2.148 521 c HN 0.541 nan 8.230 nan 0.000 0.472 522 K N 4.040 124.151 120.400 -0.482 0.000 2.057 522 K HA -0.164 4.153 4.320 -0.005 0.000 0.206 522 K C 2.083 178.432 176.600 -0.418 0.000 1.050 522 K CA 1.768 57.512 56.287 -0.905 0.000 0.935 522 K CB -0.061 31.532 32.500 -1.512 0.000 0.715 522 K HN 0.768 nan 8.250 nan 0.000 0.439 523 K N 0.191 120.417 120.400 -0.289 0.000 2.009 523 K HA -0.167 4.150 4.320 -0.005 0.000 0.210 523 K C 2.031 178.531 176.600 -0.167 0.000 1.049 523 K CA 2.377 58.549 56.287 -0.192 0.000 0.929 523 K CB -0.383 32.038 32.500 -0.131 0.000 0.714 523 K HN 0.417 nan 8.250 nan 0.000 0.440 524 T N -1.215 113.254 114.554 -0.143 0.000 2.821 524 T HA -0.184 4.164 4.350 -0.005 0.000 0.267 524 T C 2.293 176.664 174.700 -0.548 0.000 1.046 524 T CA 1.203 63.198 62.100 -0.176 0.000 1.139 524 T CB -1.087 67.819 68.868 0.063 0.000 0.871 524 T HN 0.461 nan 8.240 nan 0.000 0.454 525 c N 1.180 119.452 118.600 -0.546 0.000 2.413 525 c HA -0.015 4.552 4.570 -0.005 0.000 0.276 525 c C 2.595 176.544 174.090 -0.235 0.000 1.236 525 c CA 0.481 56.520 56.329 -0.484 0.000 1.735 525 c CB -1.541 40.989 42.510 0.034 0.000 2.031 525 c HN 0.575 nan 8.230 nan 0.000 0.474 526 I N 1.487 121.959 120.570 -0.162 0.000 2.353 526 I HA -0.042 4.125 4.170 -0.005 0.000 0.248 526 I C 2.843 178.901 176.117 -0.098 0.000 1.119 526 I CA 1.797 63.038 61.300 -0.097 0.000 1.417 526 I CB -1.823 36.117 38.000 -0.100 0.000 1.078 526 I HN 0.420 nan 8.210 nan 0.000 0.421 527 A N 0.803 123.549 122.820 -0.123 0.000 2.066 527 A HA -0.129 4.188 4.320 -0.005 0.000 0.218 527 A C 2.464 180.008 177.584 -0.066 0.000 1.157 527 A CA 1.487 53.474 52.037 -0.084 0.000 0.670 527 A CB -0.598 18.356 19.000 -0.076 0.000 0.804 527 A HN 0.523 nan 8.150 nan 0.000 0.453 528 S N -0.116 115.529 115.700 -0.092 0.000 2.442 528 S HA -0.183 4.285 4.470 -0.005 0.000 0.236 528 S C 1.086 175.676 174.600 -0.017 0.000 1.007 528 S CA 0.868 59.052 58.200 -0.026 0.000 0.965 528 S CB -0.522 62.688 63.200 0.017 0.000 0.773 528 S HN 0.600 nan 8.310 nan 0.000 0.504 529 R N 0.935 121.412 120.500 -0.039 0.000 3.502 529 R HA -0.147 4.191 4.340 -0.005 0.000 0.266 529 R C -0.956 175.300 176.300 -0.073 0.000 1.077 529 R CA 0.878 56.948 56.100 -0.050 0.000 0.718 529 R CB -2.427 27.849 30.300 -0.041 0.000 1.120 529 R HN 0.543 nan 8.270 nan 0.000 0.457 530 D N 0.150 120.524 120.400 -0.043 0.000 2.313 530 D HA 0.187 4.824 4.640 -0.005 0.000 0.239 530 D C -1.424 174.806 176.300 -0.117 0.000 1.142 530 D CA -2.664 51.309 54.000 -0.045 0.000 0.847 530 D CB 1.340 42.186 40.800 0.076 0.000 1.082 530 D HN -0.127 nan 8.370 nan 0.000 0.480 531 P HA -0.137 nan 4.420 nan 0.000 0.220 531 P C 0.473 177.594 177.300 -0.298 0.000 1.144 531 P CA 1.061 63.927 63.100 -0.390 0.000 0.800 531 P CB 0.017 31.375 31.700 -0.570 0.000 0.772 532 Y N -2.099 118.182 120.300 -0.032 0.000 2.544 532 Y HA 0.057 4.604 4.550 -0.005 0.000 0.286 532 Y C 1.187 177.009 175.900 -0.130 0.000 1.141 532 Y CA -0.437 57.616 58.100 -0.079 0.000 1.299 532 Y CB -0.716 37.835 38.460 0.151 0.000 1.030 532 Y HN -0.057 nan 8.280 nan 0.000 0.543 533 c N -0.069 118.586 118.600 0.091 0.000 2.456 533 c HA 0.913 5.480 4.570 -0.005 0.000 0.325 533 c C 0.873 175.015 174.090 0.086 0.000 1.217 533 c CA -0.846 55.549 56.329 0.110 0.000 1.687 533 c CB 0.906 43.526 42.510 0.182 0.000 2.270 533 c HN 0.506 nan 8.230 nan 0.000 0.499 534 G N 0.471 109.342 108.800 0.118 0.000 2.684 534 G HA2 0.567 4.524 3.960 -0.005 0.000 0.290 534 G HA3 0.567 4.524 3.960 -0.005 0.000 0.290 534 G C -1.849 173.192 174.900 0.234 0.000 1.425 534 G CA -0.342 44.861 45.100 0.172 0.000 0.822 534 G HN 0.825 nan 8.290 nan 0.000 0.482 535 W N 2.109 123.444 121.300 0.059 0.000 2.331 535 W HA 0.502 5.159 4.660 -0.005 0.000 0.306 535 W C -1.031 175.527 176.519 0.066 0.000 1.162 535 W CA -0.542 56.832 57.345 0.048 0.000 1.232 535 W CB 1.426 30.899 29.460 0.021 0.000 1.235 535 W HN 0.208 nan 8.180 nan 0.000 0.479 536 V N 8.929 128.561 119.914 -0.469 0.000 2.288 536 V HA 0.147 4.265 4.120 -0.005 0.000 0.266 536 V C 1.466 177.275 176.094 -0.475 0.000 1.048 536 V CA -0.324 61.789 62.300 -0.313 0.000 0.842 536 V CB 0.837 32.537 31.823 -0.205 0.000 1.064 536 V HN 0.679 nan 8.190 nan 0.000 0.472 537 R N 2.228 122.598 120.500 -0.217 0.000 2.140 537 R HA -0.251 4.086 4.340 -0.005 0.000 0.250 537 R C 1.773 178.018 176.300 -0.091 0.000 1.150 537 R CA 2.083 58.141 56.100 -0.069 0.000 0.966 537 R CB 0.113 30.452 30.300 0.065 0.000 0.869 537 R HN 0.690 nan 8.270 nan 0.000 0.445 538 E N -0.173 119.975 120.200 -0.087 0.000 2.150 538 E HA -0.107 4.241 4.350 -0.005 0.000 0.193 538 E C 1.932 178.482 176.600 -0.083 0.000 0.985 538 E CA 1.585 57.950 56.400 -0.058 0.000 0.814 538 E CB 0.034 29.713 29.700 -0.034 0.000 0.752 538 E HN 0.351 nan 8.360 nan 0.000 0.466 539 S N -1.061 114.551 115.700 -0.146 0.000 2.524 539 S HA 0.175 4.642 4.470 -0.005 0.000 0.216 539 S C 1.612 176.091 174.600 -0.202 0.000 0.987 539 S CA 0.236 58.346 58.200 -0.149 0.000 0.909 539 S CB 0.224 63.334 63.200 -0.149 0.000 0.781 539 S HN 0.306 nan 8.310 nan 0.000 0.521 540 G N 1.213 109.834 108.800 -0.298 0.000 2.273 540 G HA2 -0.175 3.782 3.960 -0.005 0.000 0.280 540 G HA3 -0.175 3.782 3.960 -0.005 0.000 0.280 540 G C 0.040 174.582 174.900 -0.596 0.000 1.047 540 G CA 0.472 45.402 45.100 -0.283 0.000 0.869 540 G HN 1.719 nan 8.290 nan 0.000 0.502 541 S N -2.440 112.562 115.700 -1.163 0.000 2.588 541 S HA 0.626 5.093 4.470 -0.005 0.000 0.269 541 S C -0.130 173.948 174.600 -0.869 0.000 1.157 541 S CA -0.346 57.299 58.200 -0.926 0.000 0.824 541 S CB 1.767 64.788 63.200 -0.298 0.000 1.126 541 S HN 1.326 nan 8.310 nan 0.000 0.464 542 c N 1.738 120.227 118.600 -0.184 0.000 2.601 542 c HA 0.869 5.436 4.570 -0.005 0.000 0.409 542 c C 0.639 174.760 174.090 0.052 0.000 1.293 542 c CA 0.952 57.346 56.329 0.109 0.000 2.101 542 c CB -0.587 42.133 42.510 0.350 0.000 2.639 542 c HN 1.270 nan 8.230 nan 0.000 0.592 543 A N 3.133 125.995 122.820 0.069 0.000 2.609 543 A HA 0.575 4.892 4.320 -0.005 0.000 0.291 543 A C -1.310 176.343 177.584 0.115 0.000 1.096 543 A CA -0.576 51.506 52.037 0.075 0.000 0.684 543 A CB 0.380 19.387 19.000 0.012 0.000 1.282 543 A HN 1.012 nan 8.150 nan 0.000 0.412 544 H N 0.732 119.831 119.070 0.048 0.000 2.848 544 H HA 0.434 4.988 4.556 -0.005 0.000 0.317 544 H C -0.516 174.822 175.328 0.017 0.000 1.046 544 H CA 0.146 56.224 56.048 0.050 0.000 1.470 544 H CB 0.210 29.983 29.762 0.020 0.000 1.483 544 H HN 0.463 nan 8.280 nan 0.000 0.548 545 L N 5.759 126.692 121.223 -0.483 0.000 2.407 545 L HA 0.091 4.428 4.340 -0.005 0.000 0.282 545 L C 0.308 176.963 176.870 -0.358 0.000 1.110 545 L CA -0.331 54.296 54.840 -0.355 0.000 0.863 545 L CB 0.206 42.066 42.059 -0.332 0.000 1.207 545 L HN 0.737 nan 8.230 nan 0.000 0.454 546 S N 4.729 120.310 115.700 -0.198 0.000 2.576 546 S HA 0.097 4.565 4.470 -0.005 0.000 0.272 546 S C -1.422 173.090 174.600 -0.148 0.000 1.352 546 S CA -1.034 57.109 58.200 -0.095 0.000 1.021 546 S CB 0.542 63.711 63.200 -0.052 0.000 0.887 546 S HN 0.480 nan 8.310 nan 0.000 0.542 547 P HA 0.057 nan 4.420 nan 0.000 0.218 547 P C 0.634 177.894 177.300 -0.067 0.000 1.152 547 P CA 0.261 63.317 63.100 -0.073 0.000 0.826 547 P CB 0.034 31.719 31.700 -0.025 0.000 0.790 548 L N 1.098 122.294 121.223 -0.044 0.000 2.697 548 L HA 0.062 4.399 4.340 -0.005 0.000 0.239 548 L C 0.524 177.371 176.870 -0.038 0.000 1.430 548 L CA 0.058 54.881 54.840 -0.028 0.000 1.193 548 L CB -1.349 40.702 42.059 -0.013 0.000 1.516 548 L HN -0.100 nan 8.230 nan 0.000 0.439 549 S N -0.327 115.333 115.700 -0.066 0.000 3.864 549 S HA 0.160 4.628 4.470 -0.005 0.000 0.202 549 S C 1.186 175.824 174.600 0.062 0.000 1.402 549 S CA -0.550 57.608 58.200 -0.069 0.000 1.072 549 S CB -0.335 62.716 63.200 -0.249 0.000 1.383 549 S HN 0.472 nan 8.310 nan 0.000 0.458 550 R N 0.447 120.976 120.500 0.049 0.000 2.319 550 R HA 0.351 4.689 4.340 -0.005 0.000 0.204 550 R C -0.401 175.945 176.300 0.078 0.000 0.954 550 R CA 0.155 56.291 56.100 0.060 0.000 1.066 550 R CB -0.783 29.536 30.300 0.032 0.000 0.991 550 R HN 0.474 nan 8.270 nan 0.000 0.486 551 L N -1.060 120.235 121.223 0.119 0.000 2.309 551 L HA 0.356 4.694 4.340 -0.005 0.000 0.261 551 L C 0.276 177.260 176.870 0.190 0.000 1.021 551 L CA -0.681 54.225 54.840 0.111 0.000 0.823 551 L CB 1.565 43.663 42.059 0.064 0.000 1.366 551 L HN -0.274 nan 8.230 nan 0.000 0.423 552 T N 1.866 116.463 114.554 0.073 0.000 2.870 552 T HA 0.365 4.713 4.350 -0.005 0.000 0.300 552 T C -0.410 174.317 174.700 0.046 0.000 0.989 552 T CA 0.360 62.438 62.100 -0.037 0.000 1.139 552 T CB -0.222 68.616 68.868 -0.050 0.000 0.920 552 T HN 0.420 nan 8.240 nan 0.000 0.537 553 F N -0.166 119.800 119.950 0.028 0.000 2.584 553 F HA 0.518 5.042 4.527 -0.005 0.000 0.328 553 F C -0.081 175.763 175.800 0.073 0.000 1.407 553 F CA -1.316 56.698 58.000 0.023 0.000 1.145 553 F CB -0.157 38.824 39.000 -0.032 0.000 1.440 553 F HN 0.364 nan 8.300 nan 0.000 0.580 554 E N 3.352 123.637 120.200 0.142 0.000 2.415 554 E HA 0.181 4.528 4.350 -0.005 0.000 0.263 554 E C -0.290 176.426 176.600 0.193 0.000 0.995 554 E CA 0.276 56.761 56.400 0.142 0.000 0.915 554 E CB 0.701 30.499 29.700 0.164 0.000 0.951 554 E HN 0.798 nan 8.360 nan 0.000 0.449 555 Q N 2.098 121.989 119.800 0.152 0.000 2.472 555 Q HA 0.388 4.726 4.340 -0.005 0.000 0.281 555 Q C -1.682 174.368 176.000 0.084 0.000 0.997 555 Q CA -0.977 54.897 55.803 0.119 0.000 0.828 555 Q CB 1.775 30.592 28.738 0.132 0.000 1.443 555 Q HN 0.226 nan 8.270 nan 0.000 0.390 556 D N 2.837 123.260 120.400 0.040 0.000 2.408 556 D HA 0.282 4.919 4.640 -0.005 0.000 0.261 556 D C 0.383 176.685 176.300 0.004 0.000 1.190 556 D CA -0.461 53.556 54.000 0.027 0.000 0.910 556 D CB 0.944 41.747 40.800 0.005 0.000 1.097 556 D HN 0.586 nan 8.370 nan 0.000 0.522 557 I N 1.957 122.532 120.570 0.008 0.000 2.235 557 I HA -0.076 4.091 4.170 -0.005 0.000 0.241 557 I C 1.913 178.024 176.117 -0.009 0.000 1.085 557 I CA 0.768 62.036 61.300 -0.054 0.000 1.378 557 I CB -0.840 37.044 38.000 -0.194 0.000 1.076 557 I HN 0.311 nan 8.210 nan 0.000 0.415 558 E N 0.974 121.201 120.200 0.045 0.000 2.058 558 E HA -0.215 4.132 4.350 -0.005 0.000 0.194 558 E C 2.518 179.126 176.600 0.013 0.000 0.997 558 E CA 2.614 59.040 56.400 0.043 0.000 0.801 558 E CB -0.277 29.456 29.700 0.055 0.000 0.746 558 E HN 0.514 nan 8.360 nan 0.000 0.450 559 R N -0.935 119.569 120.500 0.006 0.000 2.164 559 R HA 0.372 4.709 4.340 -0.005 0.000 0.198 559 R C 1.915 178.208 176.300 -0.012 0.000 1.028 559 R CA 1.116 57.212 56.100 -0.005 0.000 1.083 559 R CB -0.887 29.409 30.300 -0.007 0.000 1.026 559 R HN 0.370 nan 8.270 nan 0.000 0.514 560 G N 0.986 109.777 108.800 -0.015 0.000 2.143 560 G HA2 -0.295 3.663 3.960 -0.005 0.000 0.248 560 G HA3 -0.295 3.663 3.960 -0.005 0.000 0.248 560 G C 0.097 174.979 174.900 -0.030 0.000 0.991 560 G CA 0.365 45.450 45.100 -0.024 0.000 0.689 560 G HN 0.887 nan 8.290 nan 0.000 0.522 561 N N 0.433 119.117 118.700 -0.027 0.000 2.429 561 N HA 0.321 5.058 4.740 -0.005 0.000 0.271 561 N C 1.102 176.585 175.510 -0.044 0.000 1.272 561 N CA 1.265 54.295 53.050 -0.032 0.000 0.921 561 N CB 0.620 39.092 38.487 -0.026 0.000 1.128 561 N HN 0.117 nan 8.380 nan 0.000 0.481 562 T N 1.943 116.467 114.554 -0.050 0.000 3.134 562 T HA 0.101 4.448 4.350 -0.005 0.000 0.260 562 T C -0.588 174.074 174.700 -0.064 0.000 1.027 562 T CA -0.464 61.596 62.100 -0.067 0.000 0.913 562 T CB -0.331 68.494 68.868 -0.072 0.000 1.046 562 T HN 0.456 nan 8.240 nan 0.000 0.553 563 D N 1.552 121.922 120.400 -0.051 0.000 2.426 563 D HA 0.338 4.975 4.640 -0.005 0.000 0.261 563 D C 1.362 177.631 176.300 -0.052 0.000 1.245 563 D CA 1.524 55.497 54.000 -0.045 0.000 0.917 563 D CB 0.280 41.058 40.800 -0.036 0.000 1.123 563 D HN 0.531 nan 8.370 nan 0.000 0.508 564 G N 2.056 110.824 108.800 -0.053 0.000 2.192 564 G HA2 -0.192 3.765 3.960 -0.005 0.000 0.193 564 G HA3 -0.192 3.765 3.960 -0.005 0.000 0.193 564 G C 0.094 174.951 174.900 -0.072 0.000 0.999 564 G CA -0.468 44.599 45.100 -0.056 0.000 0.659 564 G HN 0.447 nan 8.290 nan 0.000 0.503 565 L N 0.958 122.130 121.223 -0.084 0.000 2.329 565 L HA 0.774 5.111 4.340 -0.005 0.000 0.279 565 L C 0.882 177.702 176.870 -0.084 0.000 1.014 565 L CA -0.647 54.129 54.840 -0.106 0.000 0.814 565 L CB 1.944 43.912 42.059 -0.151 0.000 1.257 565 L HN 0.162 nan 8.230 nan 0.000 0.424 566 G N 0.291 109.043 108.800 -0.079 0.000 2.410 566 G HA2 0.304 4.261 3.960 -0.005 0.000 0.330 566 G HA3 0.304 4.261 3.960 -0.005 0.000 0.330 566 G C -0.975 173.890 174.900 -0.057 0.000 1.142 566 G CA -0.359 44.707 45.100 -0.057 0.000 0.902 566 G HN 0.496 nan 8.290 nan 0.000 0.491 567 D N -0.980 119.396 120.400 -0.040 0.000 2.377 567 D HA 0.318 4.955 4.640 -0.005 0.000 0.245 567 D C 0.290 176.580 176.300 -0.018 0.000 1.196 567 D CA 0.094 54.076 54.000 -0.030 0.000 0.962 567 D CB 1.400 42.188 40.800 -0.019 0.000 1.127 567 D HN 0.271 nan 8.370 nan 0.000 0.471 568 c N 0.000 118.598 118.600 -0.004 0.000 2.653 568 c HA 0.000 4.567 4.570 -0.005 0.000 0.325 568 c CA 0.000 56.335 56.329 0.010 0.000 1.963 568 c CB 0.000 42.526 42.510 0.027 0.000 2.134 568 c HN 0.000 nan 8.230 nan 0.000 0.568