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 1att_1_B DATA FIRST_RESID 12 DATA SEQUENCE KPRDIPVNPM cIYRSSXXXX XXXXXXXQKI PGATNRRVWE LSKANSHFAT DATA SEQUENCE AFYQHLADSK NNNDNIFLSP LSISTAFAMT KLGAcNNTLT QLMEVFKFDT DATA SEQUENCE ISEKTSDQIH FFFAKLNCRL YRKANKSSEL VSANRLFGDK SITFNETYQD DATA SEQUENCE ISEVVYGAKL QPLDFKGNAE QSRLTINQWI SNKTEGRITD VIPPQAINEF DATA SEQUENCE TVLVLVNTIY FKGLWKSKFS PENTRKELFY KADGEScSVL MMYQESKFRY DATA SEQUENCE RRVAESTQVL ELPFKGDDIT MVLILPKLEK TLAKVEQELT PDMLQEWLDE DATA SEQUENCE LTETLLVVHM PRFRIEDSFS VKEQLQDMGL EDLFSPEKSR LPGIVAEGRS DATA SEQUENCE DLYVSDAFHK AFLEVNEEGS EAAASTVISI AGRSLNSDRV TFKANRPFLV DATA SEQUENCE LIREVALNTI IFMGRVANPc VD 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 12 K HA 0.000 nan 4.320 nan 0.000 0.191 12 K C 0.000 176.661 176.600 0.101 0.000 0.988 12 K CA 0.000 56.330 56.287 0.072 0.000 0.838 12 K CB 0.000 32.534 32.500 0.057 0.000 1.064 13 P HA 0.374 nan 4.420 nan 0.000 0.275 13 P C 0.040 177.507 177.300 0.278 0.000 1.270 13 P CA -0.545 62.688 63.100 0.222 0.000 0.791 13 P CB 0.632 32.520 31.700 0.314 0.000 1.089 14 R N -1.500 119.101 120.500 0.167 0.000 1.932 14 R HA 0.002 4.342 4.340 -0.000 0.000 0.090 14 R C 0.362 176.319 176.300 -0.571 0.000 0.795 14 R CA 1.022 56.997 56.100 -0.209 0.000 2.486 14 R CB -0.386 29.864 30.300 -0.084 0.000 1.216 14 R HN 0.711 nan 8.270 nan 0.000 0.503 15 D N 0.869 121.093 120.400 -0.294 0.000 3.094 15 D HA 0.152 4.792 4.640 -0.000 0.000 0.267 15 D C 0.823 177.031 176.300 -0.153 0.000 1.542 15 D CA 0.184 54.036 54.000 -0.247 0.000 1.157 15 D CB -0.378 40.351 40.800 -0.119 0.000 1.098 15 D HN 0.138 nan 8.370 nan 0.000 0.340 16 I N -0.203 120.349 120.570 -0.030 0.000 2.823 16 I HA -0.132 4.038 4.170 -0.000 0.000 0.126 16 I C -2.329 173.778 176.117 -0.016 0.000 0.892 16 I CA -0.597 60.711 61.300 0.014 0.000 2.783 16 I CB -1.562 36.491 38.000 0.089 0.000 0.640 16 I HN 0.036 nan 8.210 nan 0.000 0.351 17 P HA 0.157 nan 4.420 nan 0.000 0.258 17 P C 0.093 177.355 177.300 -0.062 0.000 1.214 17 P CA 0.063 63.125 63.100 -0.063 0.000 0.872 17 P CB 0.675 32.341 31.700 -0.055 0.000 0.890 18 V N 5.228 125.098 119.914 -0.074 0.000 2.338 18 V HA 0.139 4.259 4.120 -0.000 0.000 0.255 18 V C 0.747 176.777 176.094 -0.107 0.000 1.082 18 V CA -0.265 61.979 62.300 -0.095 0.000 0.951 18 V CB -0.639 31.129 31.823 -0.092 0.000 1.102 18 V HN 0.540 nan 8.190 nan 0.000 0.489 19 N N 5.836 124.479 118.700 -0.094 0.000 2.682 19 N HA 0.394 5.134 4.740 -0.000 0.000 0.252 19 N C -2.894 172.570 175.510 -0.076 0.000 1.081 19 N CA -1.168 51.835 53.050 -0.079 0.000 0.844 19 N CB 2.516 40.969 38.487 -0.057 0.000 1.167 19 N HN 0.371 nan 8.380 nan 0.000 0.523 20 P HA 0.117 nan 4.420 nan 0.000 0.279 20 P C 0.772 178.043 177.300 -0.048 0.000 1.282 20 P CA -0.594 62.457 63.100 -0.080 0.000 0.788 20 P CB 1.616 33.240 31.700 -0.127 0.000 1.139 21 M N -0.478 119.100 119.600 -0.037 0.000 2.254 21 M HA -0.001 4.479 4.480 -0.000 0.000 0.265 21 M C -0.243 176.042 176.300 -0.024 0.000 1.066 21 M CA 1.640 56.922 55.300 -0.030 0.000 1.123 21 M CB -0.006 32.574 32.600 -0.034 0.000 1.388 21 M HN 0.226 nan 8.290 nan 0.000 0.425 22 c N -0.088 118.500 118.600 -0.020 0.000 2.802 22 c HA 0.627 5.197 4.570 -0.000 0.000 0.307 22 c C -0.436 173.663 174.090 0.016 0.000 1.222 22 c CA -1.312 55.017 56.329 0.000 0.000 1.580 22 c CB 1.560 44.076 42.510 0.011 0.000 2.119 22 c HN 0.325 nan 8.230 nan 0.000 0.479 23 I N 1.894 122.482 120.570 0.031 0.000 2.439 23 I HA 0.228 4.398 4.170 -0.000 0.000 0.285 23 I C -0.914 175.260 176.117 0.095 0.000 1.021 23 I CA -0.395 60.934 61.300 0.048 0.000 1.091 23 I CB 0.953 38.956 38.000 0.005 0.000 1.242 23 I HN 0.698 nan 8.210 nan 0.000 0.439 24 Y N 7.511 127.824 120.300 0.021 0.000 2.436 24 Y HA 0.387 4.937 4.550 -0.000 0.000 0.336 24 Y C 0.050 175.970 175.900 0.033 0.000 1.049 24 Y CA -0.036 58.083 58.100 0.033 0.000 1.294 24 Y CB 0.412 38.904 38.460 0.054 0.000 1.179 24 Y HN 0.483 nan 8.280 nan 0.000 0.520 25 R N 3.451 123.733 120.500 -0.363 0.000 2.598 25 R HA 0.644 4.984 4.340 -0.000 0.000 0.279 25 R C -0.688 175.266 176.300 -0.577 0.000 0.984 25 R CA -0.472 55.436 56.100 -0.321 0.000 0.999 25 R CB 1.420 31.615 30.300 -0.175 0.000 1.114 25 R HN 0.776 nan 8.270 nan 0.000 0.493 26 S N -0.323 115.182 115.700 -0.325 0.000 2.740 26 S HA 0.365 4.835 4.470 -0.000 0.000 0.300 26 S C -0.640 173.901 174.600 -0.099 0.000 1.147 26 S CA -0.905 57.153 58.200 -0.237 0.000 0.871 26 S CB 1.677 64.807 63.200 -0.117 0.000 1.173 26 S HN 0.676 nan 8.310 nan 0.000 0.510 40 K N 2.075 122.550 120.400 0.126 0.000 6.074 40 K HA -0.172 4.148 4.320 -0.000 0.000 0.850 40 K C -1.402 175.132 176.600 -0.110 0.000 2.043 40 K CA 0.135 56.432 56.287 0.016 0.000 1.609 40 K CB -0.607 31.908 32.500 0.025 0.000 2.376 40 K HN 0.537 nan 8.250 nan 0.000 0.262 41 I N 7.429 127.934 120.570 -0.108 0.000 2.322 41 I HA 0.296 4.465 4.170 -0.000 0.000 0.292 41 I C -2.031 173.959 176.117 -0.213 0.000 1.060 41 I CA -1.827 59.392 61.300 -0.135 0.000 1.309 41 I CB 0.701 38.663 38.000 -0.063 0.000 1.415 41 I HN 0.356 nan 8.210 nan 0.000 0.492 42 P HA 0.285 nan 4.420 nan 0.000 0.271 42 P C -0.351 176.858 177.300 -0.152 0.000 1.216 42 P CA -0.271 62.668 63.100 -0.269 0.000 0.776 42 P CB 0.663 32.159 31.700 -0.339 0.000 0.881 43 G N 1.552 110.279 108.800 -0.121 0.000 2.356 43 G HA2 0.558 4.518 3.960 -0.000 0.000 0.300 43 G HA3 0.558 4.518 3.960 -0.000 0.000 0.300 43 G C -0.583 174.275 174.900 -0.071 0.000 1.107 43 G CA 0.425 45.479 45.100 -0.077 0.000 0.960 43 G HN 0.755 nan 8.290 nan 0.000 0.418 44 A N 1.928 124.716 122.820 -0.053 0.000 2.467 44 A HA 0.512 4.832 4.320 -0.000 0.000 0.302 44 A C 0.564 178.133 177.584 -0.024 0.000 0.917 44 A CA 0.223 52.240 52.037 -0.034 0.000 0.560 44 A CB -0.466 18.512 19.000 -0.037 0.000 1.452 44 A HN 0.909 nan 8.150 nan 0.000 0.493 45 T N -0.235 114.318 114.554 -0.002 0.000 3.026 45 T HA 0.086 4.436 4.350 -0.000 0.000 0.245 45 T C 1.156 175.868 174.700 0.019 0.000 1.004 45 T CA 0.926 63.032 62.100 0.010 0.000 1.069 45 T CB -0.229 68.653 68.868 0.024 0.000 1.005 45 T HN 0.909 nan 8.240 nan 0.000 0.472 46 N N 2.310 121.035 118.700 0.042 0.000 2.530 46 N HA -0.051 4.689 4.740 -0.000 0.000 0.216 46 N C -0.148 175.341 175.510 -0.036 0.000 1.315 46 N CA -0.009 53.083 53.050 0.071 0.000 0.858 46 N CB -0.166 38.420 38.487 0.165 0.000 1.138 46 N HN -0.050 nan 8.380 nan 0.000 0.473 47 R N 0.813 121.271 120.500 -0.071 0.000 3.301 47 R HA 0.260 4.600 4.340 -0.000 0.000 0.286 47 R C 0.258 176.507 176.300 -0.085 0.000 1.386 47 R CA -0.196 55.856 56.100 -0.080 0.000 1.607 47 R CB 0.299 30.549 30.300 -0.082 0.000 1.305 47 R HN 0.195 nan 8.270 nan 0.000 0.637 48 R N -0.511 119.811 120.500 -0.297 0.000 2.279 48 R HA 0.062 4.402 4.340 -0.000 0.000 0.195 48 R C 1.860 177.851 176.300 -0.515 0.000 0.905 48 R CA 0.206 55.973 56.100 -0.555 0.000 1.044 48 R CB -0.142 29.319 30.300 -1.399 0.000 1.056 48 R HN 0.168 nan 8.270 nan 0.000 0.535 49 V N 0.630 120.312 119.914 -0.386 0.000 2.370 49 V HA -0.317 3.803 4.120 -0.000 0.000 0.252 49 V C 1.489 177.560 176.094 -0.037 0.000 1.068 49 V CA 2.089 64.293 62.300 -0.161 0.000 1.061 49 V CB -0.306 31.468 31.823 -0.081 0.000 0.656 49 V HN 0.558 nan 8.190 nan 0.000 0.455 50 W N 0.741 121.930 121.300 -0.185 0.000 2.322 50 W HA -0.224 4.436 4.660 -0.000 0.000 0.326 50 W C 2.493 178.951 176.519 -0.102 0.000 1.224 50 W CA 2.105 59.375 57.345 -0.125 0.000 1.257 50 W CB -0.370 29.029 29.460 -0.102 0.000 1.174 50 W HN 0.357 nan 8.180 nan 0.000 0.460 51 E N 0.369 120.575 120.200 0.010 0.000 2.171 51 E HA -0.291 4.059 4.350 -0.000 0.000 0.197 51 E C 1.910 178.454 176.600 -0.093 0.000 0.997 51 E CA 1.475 57.831 56.400 -0.073 0.000 0.810 51 E CB -0.523 29.191 29.700 0.022 0.000 0.738 51 E HN 0.184 nan 8.360 nan 0.000 0.467 52 L N 1.217 122.388 121.223 -0.086 0.000 1.994 52 L HA -0.203 4.137 4.340 -0.000 0.000 0.208 52 L C 2.399 179.199 176.870 -0.117 0.000 1.071 52 L CA 2.384 57.199 54.840 -0.041 0.000 0.745 52 L CB -0.788 41.213 42.059 -0.096 0.000 0.892 52 L HN 0.108 nan 8.230 nan 0.000 0.431 53 S N -1.217 114.342 115.700 -0.234 0.000 2.382 53 S HA -0.268 4.202 4.470 -0.000 0.000 0.228 53 S C 2.143 176.581 174.600 -0.270 0.000 1.027 53 S CA 1.367 59.406 58.200 -0.269 0.000 0.991 53 S CB -0.659 62.322 63.200 -0.365 0.000 0.823 53 S HN 0.530 nan 8.310 nan 0.000 0.469 54 K N 1.455 121.641 120.400 -0.357 0.000 2.097 54 K HA 0.028 4.348 4.320 -0.000 0.000 0.206 54 K C 2.329 178.894 176.600 -0.059 0.000 1.049 54 K CA 1.077 57.213 56.287 -0.251 0.000 0.933 54 K CB -0.553 31.782 32.500 -0.275 0.000 0.717 54 K HN 0.475 nan 8.250 nan 0.000 0.442 55 A N 2.121 124.927 122.820 -0.023 0.000 1.841 55 A HA -0.190 4.130 4.320 -0.000 0.000 0.214 55 A C 1.606 179.251 177.584 0.102 0.000 1.195 55 A CA 1.919 53.982 52.037 0.043 0.000 0.611 55 A CB -0.816 18.250 19.000 0.109 0.000 0.835 55 A HN 0.622 nan 8.150 nan 0.000 0.443 56 N N -0.070 118.699 118.700 0.115 0.000 2.521 56 N HA 0.022 4.762 4.740 -0.000 0.000 0.188 56 N C 1.125 176.729 175.510 0.156 0.000 1.146 56 N CA 1.317 54.478 53.050 0.185 0.000 0.893 56 N CB -0.487 38.144 38.487 0.240 0.000 0.975 56 N HN 0.273 nan 8.380 nan 0.000 0.451 57 S N -0.270 115.463 115.700 0.054 0.000 2.395 57 S HA -0.105 4.365 4.470 -0.000 0.000 0.225 57 S C 1.476 176.107 174.600 0.052 0.000 1.027 57 S CA 0.392 58.592 58.200 0.000 0.000 0.965 57 S CB -0.486 62.656 63.200 -0.097 0.000 0.812 57 S HN 0.512 nan 8.310 nan 0.000 0.482 58 H N 0.576 119.642 119.070 -0.006 0.000 2.423 58 H HA -0.018 4.538 4.556 -0.000 0.000 0.297 58 H C 1.840 177.199 175.328 0.051 0.000 1.075 58 H CA 1.237 57.291 56.048 0.011 0.000 1.342 58 H CB -0.383 29.386 29.762 0.011 0.000 1.395 58 H HN 0.467 nan 8.280 nan 0.000 0.530 59 F N 0.982 121.015 119.950 0.139 0.000 2.187 59 F HA 0.082 4.609 4.527 -0.000 0.000 0.295 59 F C 2.476 178.307 175.800 0.053 0.000 1.091 59 F CA 1.374 59.387 58.000 0.023 0.000 1.308 59 F CB -0.772 38.147 39.000 -0.135 0.000 1.030 59 F HN 0.164 nan 8.300 nan 0.000 0.487 60 A N 0.523 123.313 122.820 -0.050 0.000 1.859 60 A HA -0.299 4.021 4.320 -0.000 0.000 0.217 60 A C 2.338 179.873 177.584 -0.082 0.000 1.198 60 A CA 3.268 55.228 52.037 -0.130 0.000 0.629 60 A CB -1.805 17.184 19.000 -0.019 0.000 0.830 60 A HN 0.562 nan 8.150 nan 0.000 0.446 61 T N -2.473 112.053 114.554 -0.047 0.000 2.915 61 T HA 0.147 4.497 4.350 -0.000 0.000 0.269 61 T C 1.826 176.529 174.700 0.006 0.000 1.071 61 T CA 1.703 63.802 62.100 -0.002 0.000 1.132 61 T CB -0.460 68.375 68.868 -0.054 0.000 0.878 61 T HN 0.630 nan 8.240 nan 0.000 0.479 62 A N 0.588 123.382 122.820 -0.043 0.000 1.929 62 A HA 0.195 4.515 4.320 -0.000 0.000 0.216 62 A C 1.997 179.573 177.584 -0.014 0.000 1.176 62 A CA 1.168 53.205 52.037 -0.000 0.000 0.628 62 A CB -0.971 18.066 19.000 0.061 0.000 0.816 62 A HN 0.579 nan 8.150 nan 0.000 0.444 63 F N -1.067 118.648 119.950 -0.392 0.000 2.187 63 F HA -0.078 4.449 4.527 -0.000 0.000 0.295 63 F C 2.052 177.729 175.800 -0.206 0.000 1.091 63 F CA 1.499 59.231 58.000 -0.446 0.000 1.308 63 F CB -0.491 37.911 39.000 -0.997 0.000 1.030 63 F HN 0.335 nan 8.300 nan 0.000 0.487 64 Y N 1.768 121.935 120.300 -0.222 0.000 2.081 64 Y HA -0.325 4.225 4.550 -0.000 0.000 0.280 64 Y C 2.495 178.238 175.900 -0.263 0.000 1.163 64 Y CA 2.463 60.418 58.100 -0.243 0.000 1.135 64 Y CB -0.995 37.395 38.460 -0.116 0.000 0.970 64 Y HN 0.245 nan 8.280 nan 0.000 0.498 65 Q N -1.184 118.433 119.800 -0.305 0.000 2.152 65 Q HA -0.266 4.074 4.340 -0.000 0.000 0.206 65 Q C 2.142 177.904 176.000 -0.396 0.000 0.985 65 Q CA 1.717 57.317 55.803 -0.338 0.000 0.863 65 Q CB -0.412 28.233 28.738 -0.155 0.000 0.904 65 Q HN 0.684 nan 8.270 nan 0.000 0.422 66 H N -0.289 118.533 119.070 -0.413 0.000 2.389 66 H HA -0.082 4.474 4.556 -0.000 0.000 0.299 66 H C 2.099 177.130 175.328 -0.494 0.000 1.081 66 H CA 1.022 56.836 56.048 -0.389 0.000 1.345 66 H CB 0.216 29.766 29.762 -0.353 0.000 1.393 66 H HN 0.160 nan 8.280 nan 0.000 0.520 67 L N 0.959 121.813 121.223 -0.615 0.000 2.109 67 L HA -0.016 4.324 4.340 -0.000 0.000 0.207 67 L C 2.574 179.129 176.870 -0.525 0.000 1.086 67 L CA 1.480 55.940 54.840 -0.633 0.000 0.760 67 L CB -0.716 40.841 42.059 -0.837 0.000 0.910 67 L HN 0.116 nan 8.230 nan 0.000 0.437 68 A N -0.691 121.754 122.820 -0.625 0.000 1.908 68 A HA -0.270 4.050 4.320 -0.000 0.000 0.218 68 A C 1.802 179.196 177.584 -0.317 0.000 1.181 68 A CA 2.088 53.821 52.037 -0.506 0.000 0.627 68 A CB -0.995 17.677 19.000 -0.546 0.000 0.818 68 A HN 0.532 nan 8.150 nan 0.000 0.445 69 D N -0.601 119.617 120.400 -0.305 0.000 2.358 69 D HA 0.113 4.753 4.640 -0.000 0.000 0.241 69 D C 0.790 176.982 176.300 -0.181 0.000 1.094 69 D CA 0.756 54.621 54.000 -0.224 0.000 0.907 69 D CB 0.143 40.797 40.800 -0.244 0.000 0.893 69 D HN 0.349 nan 8.370 nan 0.000 0.528 70 S N -0.763 114.825 115.700 -0.187 0.000 2.847 70 S HA 0.160 4.630 4.470 -0.000 0.000 0.254 70 S C 0.233 174.765 174.600 -0.113 0.000 1.039 70 S CA -0.463 57.660 58.200 -0.128 0.000 1.113 70 S CB 0.925 64.057 63.200 -0.115 0.000 1.092 70 S HN -0.024 nan 8.310 nan 0.000 0.620 71 K N 3.127 123.443 120.400 -0.139 0.000 2.316 71 K HA 0.395 4.715 4.320 -0.000 0.000 0.251 71 K C -0.635 175.909 176.600 -0.094 0.000 0.934 71 K CA -0.570 55.650 56.287 -0.113 0.000 0.802 71 K CB 1.612 34.024 32.500 -0.148 0.000 1.171 71 K HN 0.305 nan 8.250 nan 0.000 0.426 72 N N 0.052 118.716 118.700 -0.061 0.000 2.530 72 N HA -0.004 4.736 4.740 -0.000 0.000 0.277 72 N C 0.408 175.889 175.510 -0.048 0.000 1.168 72 N CA 0.122 53.142 53.050 -0.050 0.000 0.979 72 N CB 0.432 38.900 38.487 -0.031 0.000 1.141 72 N HN 0.559 nan 8.380 nan 0.000 0.459 73 N N 0.699 119.373 118.700 -0.044 0.000 2.659 73 N HA -0.154 4.586 4.740 -0.000 0.000 0.199 73 N C -0.284 175.216 175.510 -0.016 0.000 1.116 73 N CA 0.634 53.664 53.050 -0.033 0.000 0.940 73 N CB -0.190 38.281 38.487 -0.026 0.000 0.962 73 N HN 0.525 nan 8.380 nan 0.000 0.451 74 N N 0.154 118.845 118.700 -0.014 0.000 2.416 74 N HA 0.061 4.801 4.740 -0.000 0.000 0.267 74 N C -1.511 173.990 175.510 -0.015 0.000 1.294 74 N CA -0.043 53.004 53.050 -0.004 0.000 0.891 74 N CB 0.636 39.126 38.487 0.005 0.000 1.238 74 N HN 0.134 nan 8.380 nan 0.000 0.508 75 D N 0.519 120.904 120.400 -0.026 0.000 2.391 75 D HA 0.226 4.866 4.640 -0.000 0.000 0.245 75 D C -0.006 176.275 176.300 -0.031 0.000 1.069 75 D CA -0.304 53.680 54.000 -0.026 0.000 0.831 75 D CB 1.131 41.912 40.800 -0.031 0.000 1.204 75 D HN -0.065 nan 8.370 nan 0.000 0.503 76 N N 1.436 120.122 118.700 -0.024 0.000 2.492 76 N HA 0.184 4.924 4.740 -0.000 0.000 0.260 76 N C -0.125 175.399 175.510 0.022 0.000 1.215 76 N CA 0.270 53.309 53.050 -0.017 0.000 0.923 76 N CB 1.214 39.690 38.487 -0.019 0.000 1.092 76 N HN 0.383 nan 8.380 nan 0.000 0.448 77 I N 2.639 123.246 120.570 0.062 0.000 2.420 77 I HA 0.258 4.428 4.170 -0.000 0.000 0.282 77 I C -0.789 175.471 176.117 0.239 0.000 1.019 77 I CA -0.673 60.670 61.300 0.072 0.000 1.130 77 I CB 0.752 38.802 38.000 0.083 0.000 1.262 77 I HN 0.236 nan 8.210 nan 0.000 0.454 78 F N 8.587 128.584 119.950 0.078 0.000 2.508 78 F HA 0.826 5.353 4.527 -0.000 0.000 0.325 78 F C -1.050 174.889 175.800 0.231 0.000 1.090 78 F CA -1.122 56.967 58.000 0.149 0.000 0.945 78 F CB 1.735 40.825 39.000 0.151 0.000 1.156 78 F HN 0.315 nan 8.300 nan 0.000 0.463 79 L N 3.371 124.301 121.223 -0.487 0.000 2.582 79 L HA 0.672 5.012 4.340 -0.000 0.000 0.257 79 L C -1.796 174.962 176.870 -0.186 0.000 0.974 79 L CA -0.344 54.407 54.840 -0.148 0.000 0.851 79 L CB 2.137 44.207 42.059 0.019 0.000 1.424 79 L HN 0.495 nan 8.230 nan 0.000 0.412 80 S N 2.584 118.326 115.700 0.069 0.000 2.566 80 S HA 0.675 5.145 4.470 -0.000 0.000 0.324 80 S C -2.167 172.478 174.600 0.074 0.000 1.081 80 S CA -1.251 56.955 58.200 0.009 0.000 1.105 80 S CB 1.288 64.433 63.200 -0.092 0.000 0.981 80 S HN 0.678 nan 8.310 nan 0.000 0.464 81 P HA -0.037 nan 4.420 nan 0.000 0.219 81 P C 1.621 179.022 177.300 0.170 0.000 1.150 81 P CA 0.350 63.507 63.100 0.096 0.000 0.814 81 P CB 0.122 31.857 31.700 0.059 0.000 0.787 82 L N -0.605 120.671 121.223 0.087 0.000 2.083 82 L HA -0.168 4.172 4.340 -0.000 0.000 0.209 82 L C 2.427 179.403 176.870 0.176 0.000 1.083 82 L CA 1.885 56.803 54.840 0.130 0.000 0.752 82 L CB -0.755 41.321 42.059 0.028 0.000 0.899 82 L HN 0.091 nan 8.230 nan 0.000 0.433 83 S N 0.050 115.839 115.700 0.147 0.000 2.355 83 S HA -0.157 4.313 4.470 -0.000 0.000 0.222 83 S C 1.914 176.643 174.600 0.214 0.000 1.031 83 S CA 1.129 59.425 58.200 0.159 0.000 0.993 83 S CB -0.147 63.134 63.200 0.135 0.000 0.859 83 S HN 0.403 nan 8.310 nan 0.000 0.453 84 I N 0.663 121.415 120.570 0.304 0.000 2.163 84 I HA -0.108 4.062 4.170 -0.000 0.000 0.240 84 I C 2.783 179.081 176.117 0.301 0.000 1.081 84 I CA 1.233 62.729 61.300 0.327 0.000 1.353 84 I CB -1.053 37.082 38.000 0.225 0.000 1.054 84 I HN 0.320 nan 8.210 nan 0.000 0.407 85 S N 0.447 116.344 115.700 0.327 0.000 2.365 85 S HA -0.196 4.274 4.470 -0.000 0.000 0.225 85 S C 2.080 176.751 174.600 0.119 0.000 1.039 85 S CA 2.299 60.647 58.200 0.246 0.000 1.033 85 S CB -0.318 63.144 63.200 0.437 0.000 0.887 85 S HN 0.461 nan 8.310 nan 0.000 0.447 86 T N 1.851 116.487 114.554 0.137 0.000 2.708 86 T HA -0.049 4.301 4.350 -0.000 0.000 0.266 86 T C 2.021 176.523 174.700 -0.330 0.000 1.037 86 T CA 1.318 63.312 62.100 -0.176 0.000 1.146 86 T CB -0.575 68.316 68.868 0.039 0.000 0.865 86 T HN 0.482 nan 8.240 nan 0.000 0.435 87 A N 0.528 123.262 122.820 -0.143 0.000 1.972 87 A HA 0.024 4.344 4.320 -0.000 0.000 0.219 87 A C 1.924 179.277 177.584 -0.385 0.000 1.169 87 A CA 1.264 53.163 52.037 -0.228 0.000 0.635 87 A CB -0.796 18.150 19.000 -0.090 0.000 0.810 87 A HN 0.458 nan 8.150 nan 0.000 0.446 88 F N -0.231 119.448 119.950 -0.452 0.000 2.219 88 F HA 0.129 4.656 4.527 -0.000 0.000 0.294 88 F C 2.744 178.194 175.800 -0.583 0.000 1.086 88 F CA 0.547 58.196 58.000 -0.587 0.000 1.330 88 F CB -0.669 37.675 39.000 -1.093 0.000 1.047 88 F HN 0.225 nan 8.300 nan 0.000 0.495 89 A N -0.037 122.525 122.820 -0.431 0.000 1.986 89 A HA -0.223 4.097 4.320 -0.000 0.000 0.220 89 A C 2.241 179.386 177.584 -0.732 0.000 1.171 89 A CA 1.689 53.397 52.037 -0.548 0.000 0.640 89 A CB -0.718 17.744 19.000 -0.896 0.000 0.811 89 A HN 0.340 nan 8.150 nan 0.000 0.451 90 M N -1.189 117.890 119.600 -0.869 0.000 2.062 90 M HA -0.122 4.358 4.480 -0.000 0.000 0.259 90 M C 2.275 178.415 176.300 -0.268 0.000 1.076 90 M CA 2.070 56.922 55.300 -0.747 0.000 1.122 90 M CB -1.109 31.064 32.600 -0.712 0.000 1.312 90 M HN 0.412 nan 8.290 nan 0.000 0.412 91 T N 0.613 114.987 114.554 -0.300 0.000 2.760 91 T HA -0.201 4.149 4.350 -0.000 0.000 0.269 91 T C 1.744 176.354 174.700 -0.150 0.000 1.047 91 T CA 1.218 63.171 62.100 -0.245 0.000 1.139 91 T CB -0.354 68.274 68.868 -0.400 0.000 0.855 91 T HN 0.274 nan 8.240 nan 0.000 0.471 92 K N 0.684 121.020 120.400 -0.107 0.000 2.360 92 K HA -0.006 4.314 4.320 -0.000 0.000 0.201 92 K C 2.016 178.674 176.600 0.097 0.000 1.046 92 K CA 0.693 56.984 56.287 0.006 0.000 0.940 92 K CB -0.318 32.199 32.500 0.029 0.000 0.748 92 K HN 0.410 nan 8.250 nan 0.000 0.465 93 L N -0.834 120.475 121.223 0.144 0.000 2.072 93 L HA -0.081 4.259 4.340 -0.000 0.000 0.205 93 L C 2.383 179.240 176.870 -0.021 0.000 1.079 93 L CA 1.386 56.270 54.840 0.074 0.000 0.752 93 L CB -0.461 41.726 42.059 0.214 0.000 0.906 93 L HN 0.225 nan 8.230 nan 0.000 0.436 94 G N -0.420 108.305 108.800 -0.125 0.000 2.572 94 G HA2 0.110 4.070 3.960 -0.000 0.000 0.216 94 G HA3 0.110 4.070 3.960 -0.000 0.000 0.216 94 G C 0.773 175.582 174.900 -0.151 0.000 1.133 94 G CA 0.382 45.334 45.100 -0.248 0.000 0.791 94 G HN 0.365 nan 8.290 nan 0.000 0.538 95 A N -0.943 121.816 122.820 -0.102 0.000 2.466 95 A HA 0.501 4.821 4.320 -0.000 0.000 0.238 95 A C -0.042 177.517 177.584 -0.042 0.000 1.074 95 A CA 0.205 52.199 52.037 -0.073 0.000 0.774 95 A CB 0.288 19.259 19.000 -0.048 0.000 1.015 95 A HN 0.578 nan 8.150 nan 0.000 0.498 96 c N 1.482 120.063 118.600 -0.032 0.000 3.288 96 c HA 0.607 5.177 4.570 -0.000 0.000 0.318 96 c C 0.871 174.964 174.090 0.004 0.000 1.356 96 c CA 0.004 56.327 56.329 -0.009 0.000 1.359 96 c CB 0.355 42.853 42.510 -0.020 0.000 1.688 96 c HN 1.183 nan 8.230 nan 0.000 0.467 97 N N 1.511 120.226 118.700 0.026 0.000 1.629 97 N HA -0.276 4.464 4.740 -0.000 0.000 0.153 97 N C 0.797 176.331 175.510 0.041 0.000 0.652 97 N CA 1.910 54.981 53.050 0.036 0.000 1.156 97 N CB -1.281 37.217 38.487 0.017 0.000 1.324 97 N HN 0.918 nan 8.380 nan 0.000 0.449 98 N N 1.112 119.825 118.700 0.023 0.000 2.368 98 N HA 0.014 4.754 4.740 -0.000 0.000 0.176 98 N C 1.006 176.513 175.510 -0.004 0.000 1.021 98 N CA 1.570 54.630 53.050 0.018 0.000 0.888 98 N CB 0.052 38.549 38.487 0.017 0.000 0.995 98 N HN 0.427 nan 8.380 nan 0.000 0.437 99 T N 1.391 115.939 114.554 -0.010 0.000 2.897 99 T HA -0.121 4.229 4.350 -0.000 0.000 0.271 99 T C 1.738 176.419 174.700 -0.031 0.000 1.084 99 T CA 0.520 62.604 62.100 -0.027 0.000 1.123 99 T CB -0.012 68.832 68.868 -0.040 0.000 0.865 99 T HN 0.117 nan 8.240 nan 0.000 0.496 100 L N 1.165 122.375 121.223 -0.022 0.000 2.162 100 L HA 0.042 4.382 4.340 -0.000 0.000 0.205 100 L C 2.535 179.320 176.870 -0.142 0.000 1.086 100 L CA 1.530 56.353 54.840 -0.028 0.000 0.778 100 L CB -1.055 41.025 42.059 0.034 0.000 0.928 100 L HN 0.189 nan 8.230 nan 0.000 0.446 101 T N -1.374 113.082 114.554 -0.163 0.000 2.684 101 T HA -0.256 4.093 4.350 -0.000 0.000 0.267 101 T C 1.813 176.362 174.700 -0.251 0.000 1.036 101 T CA 1.749 63.649 62.100 -0.333 0.000 1.148 101 T CB -0.337 68.478 68.868 -0.088 0.000 0.863 101 T HN 0.399 nan 8.240 nan 0.000 0.436 102 Q N 0.377 120.114 119.800 -0.105 0.000 2.046 102 Q HA 0.076 4.416 4.340 -0.000 0.000 0.200 102 Q C 2.457 178.441 176.000 -0.028 0.000 0.975 102 Q CA 1.025 56.797 55.803 -0.050 0.000 0.836 102 Q CB -0.349 28.388 28.738 -0.002 0.000 0.896 102 Q HN 0.472 nan 8.270 nan 0.000 0.428 103 L N -0.115 121.109 121.223 0.002 0.000 2.201 103 L HA -0.137 4.203 4.340 -0.000 0.000 0.212 103 L C 2.268 179.195 176.870 0.095 0.000 1.105 103 L CA 0.475 55.374 54.840 0.099 0.000 0.775 103 L CB -0.202 41.904 42.059 0.078 0.000 0.913 103 L HN 0.362 nan 8.230 nan 0.000 0.440 104 M N -0.926 118.658 119.600 -0.028 0.000 2.349 104 M HA -0.080 4.400 4.480 -0.000 0.000 0.266 104 M C 1.881 178.152 176.300 -0.049 0.000 1.076 104 M CA 1.347 56.656 55.300 0.015 0.000 1.126 104 M CB -0.568 31.866 32.600 -0.277 0.000 1.392 104 M HN 0.261 nan 8.290 nan 0.000 0.440 105 E N -0.116 120.012 120.200 -0.119 0.000 2.011 105 E HA -0.089 4.261 4.350 -0.000 0.000 0.191 105 E C 2.086 178.613 176.600 -0.122 0.000 0.980 105 E CA 0.855 57.203 56.400 -0.088 0.000 0.814 105 E CB -0.066 29.590 29.700 -0.074 0.000 0.775 105 E HN 0.109 nan 8.360 nan 0.000 0.454 106 V N 1.037 120.863 119.914 -0.147 0.000 2.277 106 V HA -0.267 3.853 4.120 -0.000 0.000 0.253 106 V C 1.702 177.466 176.094 -0.550 0.000 1.067 106 V CA 1.748 63.878 62.300 -0.283 0.000 1.047 106 V CB -0.517 31.118 31.823 -0.314 0.000 0.649 106 V HN 0.224 nan 8.190 nan 0.000 0.447 107 F N 0.296 119.851 119.950 -0.658 0.000 2.696 107 F HA 0.233 4.760 4.527 -0.000 0.000 0.296 107 F C 1.347 176.621 175.800 -0.877 0.000 1.181 107 F CA -0.162 57.164 58.000 -1.123 0.000 1.411 107 F CB -0.342 37.649 39.000 -1.681 0.000 1.014 107 F HN 0.012 nan 8.300 nan 0.000 0.512 108 K N -1.566 118.643 120.400 -0.318 0.000 3.184 108 K HA -0.274 4.046 4.320 -0.000 0.000 0.301 108 K C 0.946 177.556 176.600 0.018 0.000 1.170 108 K CA 0.837 57.036 56.287 -0.147 0.000 0.897 108 K CB -2.265 30.153 32.500 -0.137 0.000 1.218 108 K HN 0.322 nan 8.250 nan 0.000 0.441 109 F N 1.718 121.716 119.950 0.079 0.000 2.307 109 F HA -0.122 4.405 4.527 -0.000 0.000 0.301 109 F C 1.897 177.773 175.800 0.127 0.000 1.076 109 F CA 1.408 59.477 58.000 0.116 0.000 1.383 109 F CB -0.494 38.578 39.000 0.120 0.000 1.055 109 F HN 0.179 nan 8.300 nan 0.000 0.526 110 D N -0.337 120.220 120.400 0.261 0.000 2.344 110 D HA -0.059 4.581 4.640 -0.000 0.000 0.242 110 D C 1.259 177.675 176.300 0.193 0.000 1.159 110 D CA 0.923 55.084 54.000 0.267 0.000 0.859 110 D CB -0.942 40.019 40.800 0.267 0.000 0.925 110 D HN 0.381 nan 8.370 nan 0.000 0.510 111 T N -2.804 111.847 114.554 0.163 0.000 3.040 111 T HA 0.099 4.449 4.350 -0.000 0.000 0.250 111 T C 1.456 176.240 174.700 0.140 0.000 1.058 111 T CA -0.316 61.850 62.100 0.111 0.000 0.988 111 T CB -0.137 68.756 68.868 0.041 0.000 0.993 111 T HN 0.014 nan 8.240 nan 0.000 0.519 112 I N 2.600 123.291 120.570 0.202 0.000 3.616 112 I HA 0.171 4.341 4.170 -0.000 0.000 0.306 112 I C 1.110 177.353 176.117 0.210 0.000 1.232 112 I CA -0.098 61.332 61.300 0.218 0.000 1.182 112 I CB -2.174 36.043 38.000 0.361 0.000 1.007 112 I HN 0.262 nan 8.210 nan 0.000 0.479 113 S N 0.129 115.926 115.700 0.162 0.000 2.967 113 S HA -0.230 4.240 4.470 -0.000 0.000 0.297 113 S C 0.732 175.432 174.600 0.167 0.000 1.312 113 S CA 1.315 59.599 58.200 0.139 0.000 1.163 113 S CB -1.018 62.247 63.200 0.108 0.000 1.377 113 S HN 0.606 nan 8.310 nan 0.000 0.724 114 E N 1.293 121.637 120.200 0.241 0.000 2.055 114 E HA 0.165 4.515 4.350 -0.000 0.000 0.274 114 E C 0.938 177.626 176.600 0.145 0.000 0.949 114 E CA -0.440 56.097 56.400 0.228 0.000 0.775 114 E CB 0.911 30.832 29.700 0.369 0.000 1.097 114 E HN 0.622 nan 8.360 nan 0.000 0.404 115 K N 0.922 121.373 120.400 0.085 0.000 2.589 115 K HA -0.090 4.230 4.320 -0.000 0.000 0.195 115 K C 0.164 176.769 176.600 0.008 0.000 1.042 115 K CA 0.747 57.055 56.287 0.034 0.000 0.940 115 K CB -0.427 32.076 32.500 0.004 0.000 0.776 115 K HN 0.205 nan 8.250 nan 0.000 0.487 116 T N -1.537 113.035 114.554 0.031 0.000 2.890 116 T HA 0.200 4.550 4.350 -0.000 0.000 0.295 116 T C 0.746 175.470 174.700 0.041 0.000 0.993 116 T CA -0.525 61.585 62.100 0.016 0.000 0.979 116 T CB 1.819 70.678 68.868 -0.015 0.000 0.967 116 T HN 0.138 nan 8.240 nan 0.000 0.441 117 S N 2.310 118.076 115.700 0.109 0.000 2.461 117 S HA -0.300 4.170 4.470 -0.000 0.000 0.246 117 S C 1.378 176.018 174.600 0.067 0.000 1.007 117 S CA 1.751 60.032 58.200 0.135 0.000 0.976 117 S CB -0.881 62.442 63.200 0.205 0.000 0.763 117 S HN 0.926 nan 8.310 nan 0.000 0.508 118 D N 1.097 121.488 120.400 -0.014 0.000 2.144 118 D HA -0.177 4.463 4.640 -0.000 0.000 0.199 118 D C 2.004 178.252 176.300 -0.087 0.000 0.984 118 D CA 1.047 54.996 54.000 -0.085 0.000 0.834 118 D CB -0.449 40.292 40.800 -0.098 0.000 0.955 118 D HN 0.218 nan 8.370 nan 0.000 0.465 119 Q N -0.038 119.657 119.800 -0.176 0.000 2.124 119 Q HA -0.081 4.259 4.340 -0.000 0.000 0.202 119 Q C 2.358 177.961 176.000 -0.661 0.000 0.977 119 Q CA 0.571 56.084 55.803 -0.483 0.000 0.850 119 Q CB -0.235 28.118 28.738 -0.641 0.000 0.901 119 Q HN 0.432 nan 8.270 nan 0.000 0.429 120 I N 0.614 121.007 120.570 -0.296 0.000 2.151 120 I HA -0.302 3.868 4.170 -0.000 0.000 0.243 120 I C 2.132 178.251 176.117 0.003 0.000 1.080 120 I CA 1.649 62.869 61.300 -0.132 0.000 1.339 120 I CB -1.594 36.271 38.000 -0.225 0.000 1.039 120 I HN 0.375 nan 8.210 nan 0.000 0.409 121 H N -1.207 117.814 119.070 -0.080 0.000 2.457 121 H HA -0.164 4.392 4.556 -0.000 0.000 0.294 121 H C 2.172 177.477 175.328 -0.039 0.000 1.064 121 H CA 1.229 57.263 56.048 -0.023 0.000 1.330 121 H CB -0.189 29.546 29.762 -0.046 0.000 1.395 121 H HN 0.288 nan 8.280 nan 0.000 0.541 122 F N 1.476 121.408 119.950 -0.030 0.000 2.128 122 F HA -0.156 4.371 4.527 -0.000 0.000 0.295 122 F C 1.917 177.802 175.800 0.142 0.000 1.100 122 F CA 0.751 58.736 58.000 -0.024 0.000 1.260 122 F CB -0.450 38.492 39.000 -0.095 0.000 1.009 122 F HN -0.121 nan 8.300 nan 0.000 0.476 123 F N -0.167 119.749 119.950 -0.056 0.000 2.126 123 F HA -0.179 4.348 4.527 -0.000 0.000 0.299 123 F C 2.380 178.066 175.800 -0.190 0.000 1.096 123 F CA 0.990 58.901 58.000 -0.149 0.000 1.255 123 F CB -1.835 37.172 39.000 0.012 0.000 0.997 123 F HN 0.024 nan 8.300 nan 0.000 0.479 124 F N 0.327 120.285 119.950 0.013 0.000 2.075 124 F HA -0.160 4.367 4.527 -0.000 0.000 0.297 124 F C 2.481 178.212 175.800 -0.114 0.000 1.113 124 F CA 1.622 59.604 58.000 -0.030 0.000 1.218 124 F CB -0.785 38.200 39.000 -0.024 0.000 0.984 124 F HN -0.067 nan 8.300 nan 0.000 0.472 125 A N -0.961 121.839 122.820 -0.033 0.000 1.969 125 A HA -0.174 4.146 4.320 -0.000 0.000 0.218 125 A C 2.073 179.560 177.584 -0.162 0.000 1.169 125 A CA 1.559 53.523 52.037 -0.121 0.000 0.635 125 A CB -0.549 18.327 19.000 -0.207 0.000 0.810 125 A HN 0.248 nan 8.150 nan 0.000 0.445 126 K N 0.103 120.302 120.400 -0.335 0.000 2.002 126 K HA -0.074 4.246 4.320 -0.000 0.000 0.209 126 K C 1.843 178.366 176.600 -0.129 0.000 1.048 126 K CA 1.739 57.839 56.287 -0.312 0.000 0.930 126 K CB -0.646 31.569 32.500 -0.476 0.000 0.714 126 K HN 0.449 nan 8.250 nan 0.000 0.438 127 L N 0.347 121.507 121.223 -0.105 0.000 2.093 127 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 127 L C 1.580 178.448 176.870 -0.002 0.000 1.085 127 L CA 1.741 56.534 54.840 -0.077 0.000 0.755 127 L CB -0.356 41.608 42.059 -0.159 0.000 0.904 127 L HN 0.293 nan 8.230 nan 0.000 0.435 128 N N -1.274 117.475 118.700 0.081 0.000 2.166 128 N HA -0.237 4.503 4.740 -0.000 0.000 0.186 128 N C 1.933 177.599 175.510 0.260 0.000 1.019 128 N CA 1.380 54.596 53.050 0.276 0.000 0.856 128 N CB -0.246 38.403 38.487 0.270 0.000 0.993 128 N HN 0.443 nan 8.380 nan 0.000 0.426 129 C N 0.850 120.215 119.300 0.108 0.000 2.432 129 C HA 0.009 4.469 4.460 -0.000 0.000 0.277 129 C C 2.558 177.591 174.990 0.072 0.000 1.249 129 C CA 0.750 59.820 59.018 0.085 0.000 1.725 129 C CB -0.910 26.846 27.740 0.026 0.000 2.028 129 C HN 0.413 nan 8.230 nan 0.000 0.477 130 R N -0.163 120.352 120.500 0.026 0.000 2.193 130 R HA -0.019 4.321 4.340 -0.000 0.000 0.229 130 R C 2.027 178.299 176.300 -0.045 0.000 1.110 130 R CA 0.987 57.085 56.100 -0.003 0.000 0.988 130 R CB -0.108 30.184 30.300 -0.014 0.000 0.871 130 R HN 0.555 nan 8.270 nan 0.000 0.458 131 L N -1.276 119.889 121.223 -0.097 0.000 2.062 131 L HA -0.071 4.269 4.340 -0.000 0.000 0.202 131 L C 0.991 177.635 176.870 -0.378 0.000 1.079 131 L CA 1.174 55.802 54.840 -0.353 0.000 0.755 131 L CB -0.257 41.346 42.059 -0.761 0.000 0.913 131 L HN 0.209 nan 8.230 nan 0.000 0.445 132 Y N 0.025 120.347 120.300 0.037 0.000 2.537 132 Y HA 0.165 4.715 4.550 -0.000 0.000 0.303 132 Y C 1.053 176.980 175.900 0.046 0.000 1.176 132 Y CA -0.640 57.490 58.100 0.051 0.000 1.273 132 Y CB -0.689 37.806 38.460 0.058 0.000 1.110 132 Y HN 0.135 nan 8.280 nan 0.000 0.518 133 R N 1.534 122.109 120.500 0.125 0.000 2.585 133 R HA 0.019 4.359 4.340 -0.000 0.000 0.275 133 R C -0.584 175.768 176.300 0.087 0.000 1.018 133 R CA -0.398 55.757 56.100 0.091 0.000 1.072 133 R CB 0.480 30.813 30.300 0.055 0.000 0.953 133 R HN -0.086 nan 8.270 nan 0.000 0.419 134 K N 3.444 123.891 120.400 0.078 0.000 2.336 134 K HA 0.142 4.462 4.320 -0.000 0.000 0.290 134 K C -0.475 176.160 176.600 0.060 0.000 1.067 134 K CA 0.335 56.665 56.287 0.072 0.000 0.962 134 K CB 1.354 33.890 32.500 0.059 0.000 1.008 134 K HN 0.625 nan 8.250 nan 0.000 0.467 135 A N 4.699 127.559 122.820 0.067 0.000 2.838 135 A HA 0.147 4.467 4.320 -0.000 0.000 0.337 135 A C -0.518 177.102 177.584 0.059 0.000 1.383 135 A CA -0.957 51.117 52.037 0.062 0.000 0.985 135 A CB -0.393 18.647 19.000 0.067 0.000 1.157 135 A HN 0.750 nan 8.150 nan 0.000 0.497 136 N N 2.024 120.754 118.700 0.049 0.000 2.555 136 N HA 0.232 4.972 4.740 -0.000 0.000 0.244 136 N C -0.033 175.502 175.510 0.041 0.000 1.114 136 N CA -0.150 52.925 53.050 0.042 0.000 0.963 136 N CB 1.190 39.697 38.487 0.034 0.000 1.276 136 N HN 0.742 nan 8.380 nan 0.000 0.510 137 K N 0.281 120.710 120.400 0.048 0.000 1.004 137 K HA -0.080 4.240 4.320 -0.000 0.000 0.064 137 K C 0.611 177.252 176.600 0.067 0.000 2.405 137 K CA 0.210 56.528 56.287 0.052 0.000 0.969 137 K CB -0.689 31.841 32.500 0.051 0.000 2.678 137 K HN 0.254 nan 8.250 nan 0.000 0.315 138 S N 0.439 116.184 115.700 0.076 0.000 2.325 138 S HA 0.106 4.576 4.470 -0.000 0.000 0.214 138 S C 0.431 175.092 174.600 0.102 0.000 1.031 138 S CA 0.870 59.132 58.200 0.102 0.000 0.972 138 S CB 0.199 63.463 63.200 0.107 0.000 0.908 138 S HN 0.592 nan 8.310 nan 0.000 0.453 139 S N -0.281 115.467 115.700 0.079 0.000 2.708 139 S HA 0.130 4.600 4.470 -0.000 0.000 0.274 139 S C -0.001 174.639 174.600 0.066 0.000 0.927 139 S CA -0.390 57.826 58.200 0.027 0.000 1.002 139 S CB 0.731 63.958 63.200 0.044 0.000 1.265 139 S HN 0.164 nan 8.310 nan 0.000 0.457 140 E N 0.000 120.204 120.200 0.007 0.000 2.204 140 E HA 0.061 4.411 4.350 -0.000 0.000 0.194 140 E C 0.741 177.490 176.600 0.247 0.000 0.989 140 E CA 0.590 57.058 56.400 0.112 0.000 0.824 140 E CB -0.257 29.518 29.700 0.125 0.000 0.756 140 E HN 0.603 nan 8.360 nan 0.000 0.477 141 L N 0.937 122.403 121.223 0.404 0.000 3.184 141 L HA -0.135 4.205 4.340 -0.000 0.000 0.341 141 L C -0.818 176.292 176.870 0.401 0.000 1.112 141 L CA 1.023 56.115 54.840 0.420 0.000 0.842 141 L CB 0.122 42.332 42.059 0.251 0.000 1.260 141 L HN 0.007 nan 8.230 nan 0.000 0.573 142 V N 5.581 125.759 119.914 0.440 0.000 2.697 142 V HA 0.494 4.614 4.120 -0.000 0.000 0.300 142 V C -0.263 175.952 176.094 0.202 0.000 1.115 142 V CA 0.106 62.612 62.300 0.343 0.000 0.912 142 V CB 2.223 34.176 31.823 0.217 0.000 1.024 142 V HN 0.906 nan 8.190 nan 0.000 0.431 143 S N 4.981 120.620 115.700 -0.102 0.000 2.693 143 S HA 0.965 5.435 4.470 -0.000 0.000 0.276 143 S C -0.136 174.365 174.600 -0.166 0.000 1.192 143 S CA 0.290 58.349 58.200 -0.235 0.000 0.994 143 S CB 1.648 64.427 63.200 -0.702 0.000 1.012 143 S HN 1.891 nan 8.310 nan 0.000 0.550 144 A N 2.576 125.351 122.820 -0.075 0.000 2.549 144 A HA 0.734 5.054 4.320 -0.000 0.000 0.297 144 A C -1.332 176.282 177.584 0.050 0.000 1.061 144 A CA -0.873 51.169 52.037 0.008 0.000 0.690 144 A CB 1.278 20.326 19.000 0.081 0.000 1.287 144 A HN 0.787 nan 8.150 nan 0.000 0.402 145 N N 0.388 119.116 118.700 0.048 0.000 2.229 145 N HA 0.752 5.492 4.740 -0.000 0.000 0.298 145 N C -1.101 174.364 175.510 -0.075 0.000 1.114 145 N CA -0.535 52.510 53.050 -0.008 0.000 0.776 145 N CB 2.418 40.878 38.487 -0.044 0.000 1.501 145 N HN 0.697 nan 8.380 nan 0.000 0.474 146 R N 1.365 121.734 120.500 -0.219 0.000 2.566 146 R HA 0.483 4.823 4.340 -0.000 0.000 0.271 146 R C -1.988 173.898 176.300 -0.690 0.000 1.071 146 R CA -0.410 55.335 56.100 -0.591 0.000 0.915 146 R CB 0.681 30.351 30.300 -1.049 0.000 1.228 146 R HN 0.501 nan 8.270 nan 0.000 0.449 147 L N 4.800 125.597 121.223 -0.711 0.000 2.313 147 L HA 0.596 4.936 4.340 -0.000 0.000 0.283 147 L C -0.829 175.696 176.870 -0.576 0.000 1.013 147 L CA -0.716 53.811 54.840 -0.523 0.000 0.816 147 L CB 1.246 43.059 42.059 -0.409 0.000 1.236 147 L HN 0.508 nan 8.230 nan 0.000 0.419 148 F N 1.316 121.156 119.950 -0.183 0.000 2.375 148 F HA 0.627 5.154 4.527 -0.000 0.000 0.361 148 F C 0.813 176.610 175.800 -0.005 0.000 1.117 148 F CA -0.621 57.345 58.000 -0.057 0.000 1.037 148 F CB 1.870 40.889 39.000 0.033 0.000 1.192 148 F HN 0.404 nan 8.300 nan 0.000 0.452 149 G N 1.655 110.516 108.800 0.102 0.000 2.448 149 G HA2 0.406 4.366 3.960 -0.000 0.000 0.324 149 G HA3 0.406 4.366 3.960 -0.000 0.000 0.324 149 G C -1.648 173.411 174.900 0.265 0.000 1.203 149 G CA -0.646 44.455 45.100 0.002 0.000 0.954 149 G HN 0.473 nan 8.290 nan 0.000 0.480 150 D N 0.216 120.714 120.400 0.163 0.000 2.345 150 D HA 0.118 4.758 4.640 -0.000 0.000 0.247 150 D C 1.932 178.338 176.300 0.176 0.000 1.108 150 D CA -0.324 53.782 54.000 0.176 0.000 0.894 150 D CB 1.178 41.973 40.800 -0.009 0.000 1.203 150 D HN 0.501 nan 8.370 nan 0.000 0.430 151 K N 0.876 121.370 120.400 0.157 0.000 2.192 151 K HA -0.349 3.971 4.320 -0.000 0.000 0.214 151 K C 1.281 177.908 176.600 0.045 0.000 1.046 151 K CA 2.490 58.836 56.287 0.098 0.000 0.937 151 K CB -0.597 31.948 32.500 0.076 0.000 0.734 151 K HN 0.331 nan 8.250 nan 0.000 0.473 152 S N 0.551 116.253 115.700 0.003 0.000 2.456 152 S HA 0.178 4.648 4.470 -0.000 0.000 0.224 152 S C 0.812 175.333 174.600 -0.132 0.000 1.035 152 S CA -0.130 58.042 58.200 -0.047 0.000 0.940 152 S CB -0.042 63.134 63.200 -0.039 0.000 0.799 152 S HN 0.199 nan 8.310 nan 0.000 0.508 153 I N 4.253 124.680 120.570 -0.238 0.000 2.471 153 I HA 0.105 4.275 4.170 -0.000 0.000 0.294 153 I C -0.019 175.684 176.117 -0.689 0.000 1.123 153 I CA 0.124 61.104 61.300 -0.534 0.000 1.336 153 I CB -1.340 36.184 38.000 -0.793 0.000 1.430 153 I HN 0.042 nan 8.210 nan 0.000 0.533 154 T N 7.697 122.017 114.554 -0.390 0.000 3.586 154 T HA 0.048 4.398 4.350 -0.000 0.000 0.225 154 T C 0.271 174.819 174.700 -0.252 0.000 0.965 154 T CA 0.021 61.981 62.100 -0.233 0.000 1.382 154 T CB -1.279 67.510 68.868 -0.133 0.000 1.123 154 T HN 0.119 nan 8.240 nan 0.000 0.743 155 F N 2.837 122.788 119.950 0.001 0.000 2.543 155 F HA 0.095 4.622 4.527 -0.000 0.000 0.375 155 F C 1.313 177.142 175.800 0.047 0.000 1.075 155 F CA -1.150 56.868 58.000 0.030 0.000 1.225 155 F CB 0.149 39.190 39.000 0.068 0.000 1.099 155 F HN 0.332 nan 8.300 nan 0.000 0.561 156 N N 3.428 122.261 118.700 0.221 0.000 2.347 156 N HA -0.134 4.606 4.740 -0.000 0.000 0.278 156 N C 1.091 176.692 175.510 0.152 0.000 1.367 156 N CA 0.295 53.427 53.050 0.138 0.000 0.898 156 N CB 0.304 38.855 38.487 0.107 0.000 1.203 156 N HN 0.620 nan 8.380 nan 0.000 0.491 157 E N 2.015 122.268 120.200 0.088 0.000 2.233 157 E HA -0.159 4.191 4.350 -0.000 0.000 0.199 157 E C 1.142 177.763 176.600 0.036 0.000 1.004 157 E CA 1.480 57.912 56.400 0.054 0.000 0.819 157 E CB 0.073 29.789 29.700 0.026 0.000 0.738 157 E HN 0.626 nan 8.360 nan 0.000 0.478 158 T N -1.202 113.379 114.554 0.045 0.000 2.978 158 T HA -0.092 4.258 4.350 -0.000 0.000 0.262 158 T C 1.267 175.997 174.700 0.050 0.000 1.063 158 T CA 0.733 62.848 62.100 0.025 0.000 1.140 158 T CB -0.285 68.592 68.868 0.015 0.000 0.886 158 T HN 0.326 nan 8.240 nan 0.000 0.470 159 Y N 1.973 122.259 120.300 -0.024 0.000 2.242 159 Y HA -0.089 4.461 4.550 -0.000 0.000 0.291 159 Y C 2.411 178.290 175.900 -0.035 0.000 1.137 159 Y CA 1.226 59.307 58.100 -0.032 0.000 1.181 159 Y CB -0.325 38.122 38.460 -0.021 0.000 0.989 159 Y HN 0.120 nan 8.280 nan 0.000 0.527 160 Q N 0.221 119.952 119.800 -0.116 0.000 2.084 160 Q HA -0.196 4.144 4.340 -0.000 0.000 0.202 160 Q C 1.731 177.614 176.000 -0.195 0.000 0.978 160 Q CA 1.840 57.507 55.803 -0.226 0.000 0.844 160 Q CB -0.392 28.300 28.738 -0.076 0.000 0.898 160 Q HN 0.546 nan 8.270 nan 0.000 0.426 161 D N 0.612 120.946 120.400 -0.110 0.000 2.084 161 D HA -0.138 4.502 4.640 -0.000 0.000 0.194 161 D C 1.773 178.011 176.300 -0.104 0.000 0.990 161 D CA 0.789 54.736 54.000 -0.087 0.000 0.826 161 D CB -0.183 40.586 40.800 -0.052 0.000 0.971 161 D HN 0.175 nan 8.370 nan 0.000 0.453 162 I N -0.118 120.390 120.570 -0.103 0.000 2.928 162 I HA -0.071 4.099 4.170 -0.000 0.000 0.266 162 I C 1.805 177.860 176.117 -0.103 0.000 1.234 162 I CA 0.759 62.003 61.300 -0.093 0.000 1.483 162 I CB -0.046 37.910 38.000 -0.073 0.000 1.097 162 I HN -0.206 nan 8.210 nan 0.000 0.455 163 S N 0.491 116.083 115.700 -0.178 0.000 2.351 163 S HA -0.223 4.247 4.470 -0.000 0.000 0.220 163 S C 1.930 176.460 174.600 -0.117 0.000 1.035 163 S CA 1.796 59.907 58.200 -0.149 0.000 1.031 163 S CB -0.360 62.590 63.200 -0.416 0.000 0.928 163 S HN 0.556 nan 8.310 nan 0.000 0.433 164 E N 0.206 120.318 120.200 -0.146 0.000 2.038 164 E HA -0.136 4.214 4.350 -0.000 0.000 0.195 164 E C 2.053 178.596 176.600 -0.096 0.000 1.000 164 E CA 1.422 57.755 56.400 -0.112 0.000 0.803 164 E CB -0.095 29.542 29.700 -0.104 0.000 0.750 164 E HN 0.256 nan 8.360 nan 0.000 0.448 165 V N 0.164 120.022 119.914 -0.093 0.000 2.667 165 V HA -0.154 3.966 4.120 -0.000 0.000 0.252 165 V C 2.022 178.045 176.094 -0.117 0.000 1.065 165 V CA 0.931 63.184 62.300 -0.078 0.000 1.083 165 V CB 0.149 31.941 31.823 -0.052 0.000 0.692 165 V HN 0.131 nan 8.190 nan 0.000 0.468 166 V N -1.658 118.134 119.914 -0.204 0.000 2.521 166 V HA -0.022 4.098 4.120 -0.000 0.000 0.239 166 V C 1.908 177.685 176.094 -0.528 0.000 1.053 166 V CA 1.379 63.444 62.300 -0.391 0.000 1.073 166 V CB -0.205 31.301 31.823 -0.528 0.000 0.746 166 V HN 0.519 nan 8.190 nan 0.000 0.476 167 Y N 0.386 120.640 120.300 -0.076 0.000 2.497 167 Y HA 0.449 4.999 4.550 -0.000 0.000 0.265 167 Y C 1.898 177.733 175.900 -0.108 0.000 1.111 167 Y CA 0.360 58.398 58.100 -0.104 0.000 1.288 167 Y CB -0.006 38.359 38.460 -0.158 0.000 1.082 167 Y HN 0.323 nan 8.280 nan 0.000 0.536 168 G N 0.316 109.091 108.800 -0.041 0.000 2.136 168 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.242 168 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.242 168 G C 0.115 174.973 174.900 -0.069 0.000 0.989 168 G CA 0.043 45.111 45.100 -0.052 0.000 0.682 168 G HN 0.622 nan 8.290 nan 0.000 0.522 169 A N 0.243 123.006 122.820 -0.095 0.000 2.274 169 A HA 0.707 5.027 4.320 -0.000 0.000 0.309 169 A C 0.401 177.859 177.584 -0.211 0.000 1.226 169 A CA -0.404 51.530 52.037 -0.172 0.000 0.853 169 A CB 0.660 19.532 19.000 -0.213 0.000 1.146 169 A HN 0.341 nan 8.150 nan 0.000 0.518 170 K N 2.931 123.194 120.400 -0.227 0.000 2.183 170 K HA 0.318 4.638 4.320 -0.000 0.000 0.274 170 K C -0.465 175.959 176.600 -0.294 0.000 1.009 170 K CA -0.832 55.324 56.287 -0.217 0.000 0.888 170 K CB 1.518 33.919 32.500 -0.164 0.000 1.078 170 K HN 0.547 nan 8.250 nan 0.000 0.459 171 L N 2.818 123.882 121.223 -0.265 0.000 2.514 171 L HA -0.059 4.281 4.340 -0.000 0.000 0.280 171 L C 0.103 176.845 176.870 -0.213 0.000 1.223 171 L CA 1.289 55.968 54.840 -0.268 0.000 0.864 171 L CB 0.298 42.245 42.059 -0.187 0.000 1.118 171 L HN 0.765 nan 8.230 nan 0.000 0.494 172 Q N 6.285 125.962 119.800 -0.205 0.000 2.444 172 Q HA 0.366 4.706 4.340 -0.000 0.000 0.251 172 Q C -2.511 173.530 176.000 0.068 0.000 0.939 172 Q CA -1.611 54.138 55.803 -0.090 0.000 0.740 172 Q CB 2.127 30.756 28.738 -0.182 0.000 1.308 172 Q HN 0.382 nan 8.270 nan 0.000 0.461 173 P HA 0.098 nan 4.420 nan 0.000 0.266 173 P C -0.685 176.720 177.300 0.175 0.000 1.193 173 P CA 0.228 63.419 63.100 0.151 0.000 0.770 173 P CB 0.693 32.465 31.700 0.119 0.000 0.836 174 L N 1.419 122.790 121.223 0.246 0.000 2.466 174 L HA 0.289 4.629 4.340 -0.000 0.000 0.258 174 L C -0.324 176.704 176.870 0.263 0.000 0.973 174 L CA -0.719 54.233 54.840 0.187 0.000 0.826 174 L CB 2.564 44.692 42.059 0.114 0.000 1.372 174 L HN 0.223 nan 8.230 nan 0.000 0.409 175 D N 1.183 121.648 120.400 0.109 0.000 2.564 175 D HA 0.211 4.851 4.640 -0.000 0.000 0.226 175 D C 0.602 176.960 176.300 0.096 0.000 1.149 175 D CA -0.161 53.907 54.000 0.113 0.000 0.994 175 D CB 0.279 41.103 40.800 0.039 0.000 1.029 175 D HN 0.216 nan 8.370 nan 0.000 0.517 176 F N 1.590 121.534 119.950 -0.010 0.000 2.206 176 F HA 0.002 4.529 4.527 -0.000 0.000 0.298 176 F C 2.240 178.012 175.800 -0.045 0.000 1.090 176 F CA 0.579 58.565 58.000 -0.023 0.000 1.323 176 F CB -0.283 38.718 39.000 0.002 0.000 1.028 176 F HN 0.221 nan 8.300 nan 0.000 0.492 177 K N 0.934 121.435 120.400 0.168 0.000 1.965 177 K HA -0.040 4.280 4.320 -0.000 0.000 0.218 177 K C 1.343 177.941 176.600 -0.002 0.000 1.048 177 K CA 1.463 57.776 56.287 0.043 0.000 0.960 177 K CB -1.195 31.330 32.500 0.041 0.000 0.732 177 K HN 0.123 nan 8.250 nan 0.000 0.444 178 G N 1.367 110.173 108.800 0.010 0.000 2.821 178 G HA2 0.142 4.102 3.960 -0.000 0.000 0.289 178 G HA3 0.142 4.102 3.960 -0.000 0.000 0.289 178 G C -0.967 173.922 174.900 -0.020 0.000 0.771 178 G CA 0.339 45.433 45.100 -0.010 0.000 1.908 178 G HN 0.796 nan 8.290 nan 0.000 0.539 179 N N -0.468 118.211 118.700 -0.035 0.000 2.371 179 N HA -0.077 4.663 4.740 -0.000 0.000 0.286 179 N C 0.862 176.332 175.510 -0.067 0.000 1.438 179 N CA 0.935 53.956 53.050 -0.048 0.000 0.640 179 N CB -0.799 37.663 38.487 -0.043 0.000 0.914 179 N HN 0.544 nan 8.380 nan 0.000 0.495 180 A N 3.194 125.971 122.820 -0.071 0.000 1.874 180 A HA -0.072 4.248 4.320 -0.000 0.000 0.214 180 A C 1.871 179.360 177.584 -0.158 0.000 1.189 180 A CA 1.609 53.577 52.037 -0.114 0.000 0.615 180 A CB -0.575 18.395 19.000 -0.050 0.000 0.830 180 A HN 0.861 nan 8.150 nan 0.000 0.443 181 E N -0.649 119.487 120.200 -0.107 0.000 2.130 181 E HA -0.276 4.074 4.350 -0.000 0.000 0.196 181 E C 2.223 178.745 176.600 -0.129 0.000 0.998 181 E CA 1.404 57.740 56.400 -0.107 0.000 0.806 181 E CB -0.092 29.566 29.700 -0.071 0.000 0.738 181 E HN 0.584 nan 8.360 nan 0.000 0.459 182 Q N 0.345 120.073 119.800 -0.121 0.000 2.020 182 Q HA -0.146 4.194 4.340 -0.000 0.000 0.202 182 Q C 2.293 178.184 176.000 -0.183 0.000 0.982 182 Q CA 1.880 57.610 55.803 -0.122 0.000 0.838 182 Q CB -0.332 28.350 28.738 -0.094 0.000 0.899 182 Q HN 0.198 nan 8.270 nan 0.000 0.423 183 S N 0.464 116.013 115.700 -0.251 0.000 2.383 183 S HA -0.165 4.305 4.470 -0.000 0.000 0.229 183 S C 1.881 176.211 174.600 -0.451 0.000 1.030 183 S CA 1.414 59.376 58.200 -0.396 0.000 1.002 183 S CB -0.232 62.623 63.200 -0.575 0.000 0.829 183 S HN 0.388 nan 8.310 nan 0.000 0.467 184 R N 0.913 121.195 120.500 -0.363 0.000 2.073 184 R HA -0.033 4.306 4.340 -0.000 0.000 0.234 184 R C 2.140 178.306 176.300 -0.224 0.000 1.134 184 R CA 1.323 57.250 56.100 -0.288 0.000 0.952 184 R CB -0.404 29.789 30.300 -0.178 0.000 0.850 184 R HN 0.353 nan 8.270 nan 0.000 0.433 185 L N 0.095 121.213 121.223 -0.174 0.000 2.083 185 L HA -0.167 4.173 4.340 -0.000 0.000 0.209 185 L C 2.406 179.193 176.870 -0.138 0.000 1.083 185 L CA 1.733 56.497 54.840 -0.126 0.000 0.752 185 L CB -0.673 41.329 42.059 -0.096 0.000 0.899 185 L HN 0.345 nan 8.230 nan 0.000 0.433 186 T N 0.339 114.778 114.554 -0.191 0.000 2.684 186 T HA -0.173 4.177 4.350 -0.000 0.000 0.267 186 T C 1.923 176.484 174.700 -0.232 0.000 1.036 186 T CA 1.426 63.415 62.100 -0.185 0.000 1.148 186 T CB -0.190 68.539 68.868 -0.231 0.000 0.863 186 T HN 0.205 nan 8.240 nan 0.000 0.436 187 I N 1.377 121.678 120.570 -0.448 0.000 2.142 187 I HA -0.201 3.969 4.170 -0.000 0.000 0.240 187 I C 2.577 178.656 176.117 -0.063 0.000 1.078 187 I CA 0.963 61.940 61.300 -0.538 0.000 1.343 187 I CB -0.504 37.095 38.000 -0.669 0.000 1.046 187 I HN 0.211 nan 8.210 nan 0.000 0.405 188 N N 0.795 119.456 118.700 -0.066 0.000 2.049 188 N HA -0.317 4.423 4.740 -0.000 0.000 0.198 188 N C 1.870 177.403 175.510 0.039 0.000 1.030 188 N CA 1.813 54.864 53.050 0.001 0.000 0.870 188 N CB -0.475 37.989 38.487 -0.038 0.000 1.045 188 N HN 0.466 nan 8.380 nan 0.000 0.434 189 Q N -0.375 119.437 119.800 0.020 0.000 2.226 189 Q HA -0.132 4.208 4.340 -0.000 0.000 0.204 189 Q C 2.017 178.063 176.000 0.077 0.000 0.975 189 Q CA 0.877 56.695 55.803 0.025 0.000 0.866 189 Q CB -0.109 28.634 28.738 0.007 0.000 0.915 189 Q HN 0.548 nan 8.270 nan 0.000 0.440 190 W N 1.079 122.368 121.300 -0.017 0.000 2.379 190 W HA -0.202 4.458 4.660 -0.000 0.000 0.307 190 W C 1.281 177.832 176.519 0.054 0.000 1.200 190 W CA 0.986 58.364 57.345 0.055 0.000 1.297 190 W CB -0.148 29.424 29.460 0.187 0.000 1.140 190 W HN 0.143 nan 8.180 nan 0.000 0.507 191 I N 1.397 122.034 120.570 0.111 0.000 2.142 191 I HA -0.280 3.890 4.170 -0.000 0.000 0.240 191 I C 2.762 178.815 176.117 -0.107 0.000 1.078 191 I CA 1.806 63.114 61.300 0.013 0.000 1.343 191 I CB -2.010 36.073 38.000 0.139 0.000 1.046 191 I HN 0.019 nan 8.210 nan 0.000 0.405 192 S N 1.722 117.389 115.700 -0.054 0.000 2.378 192 S HA -0.294 4.176 4.470 -0.000 0.000 0.229 192 S C 1.992 176.499 174.600 -0.156 0.000 1.052 192 S CA 2.225 60.377 58.200 -0.079 0.000 1.084 192 S CB -0.492 62.676 63.200 -0.053 0.000 0.950 192 S HN 0.448 nan 8.310 nan 0.000 0.440 193 N N 0.890 119.468 118.700 -0.203 0.000 2.036 193 N HA -0.099 4.641 4.740 -0.000 0.000 0.195 193 N C 1.624 176.923 175.510 -0.353 0.000 1.037 193 N CA 1.415 54.306 53.050 -0.266 0.000 0.855 193 N CB -0.316 37.997 38.487 -0.291 0.000 1.033 193 N HN 0.425 nan 8.380 nan 0.000 0.423 194 K N 0.283 120.392 120.400 -0.484 0.000 2.365 194 K HA -0.002 4.318 4.320 -0.000 0.000 0.199 194 K C 1.187 177.611 176.600 -0.293 0.000 1.045 194 K CA 0.748 56.773 56.287 -0.436 0.000 0.962 194 K CB -0.236 31.932 32.500 -0.554 0.000 0.759 194 K HN 0.410 nan 8.250 nan 0.000 0.469 195 T N -1.026 113.395 114.554 -0.221 0.000 3.248 195 T HA 0.165 4.515 4.350 -0.000 0.000 0.271 195 T C -0.139 174.419 174.700 -0.236 0.000 1.005 195 T CA -0.443 61.602 62.100 -0.092 0.000 0.902 195 T CB 0.011 68.950 68.868 0.119 0.000 1.102 195 T HN 0.086 nan 8.240 nan 0.000 0.548 196 E N 0.825 120.770 120.200 -0.425 0.000 2.360 196 E HA -0.259 4.091 4.350 -0.000 0.000 0.238 196 E C 1.205 177.693 176.600 -0.187 0.000 1.186 196 E CA 0.658 56.838 56.400 -0.368 0.000 0.719 196 E CB -2.006 27.337 29.700 -0.596 0.000 1.236 196 E HN 1.067 nan 8.360 nan 0.000 0.386 197 G N -0.253 108.452 108.800 -0.158 0.000 2.189 197 G HA2 -0.455 3.505 3.960 -0.000 0.000 0.267 197 G HA3 -0.455 3.505 3.960 -0.000 0.000 0.267 197 G C 1.047 175.867 174.900 -0.133 0.000 0.975 197 G CA 1.119 46.147 45.100 -0.121 0.000 0.644 197 G HN 0.343 nan 8.290 nan 0.000 0.537 198 R N 0.134 120.540 120.500 -0.155 0.000 2.061 198 R HA 0.163 4.503 4.340 -0.000 0.000 0.230 198 R C 1.602 177.810 176.300 -0.154 0.000 1.140 198 R CA 1.277 57.188 56.100 -0.314 0.000 0.940 198 R CB -0.266 29.817 30.300 -0.362 0.000 0.839 198 R HN 0.425 nan 8.270 nan 0.000 0.429 199 I N 1.629 122.190 120.570 -0.016 0.000 2.260 199 I HA 0.109 4.279 4.170 -0.000 0.000 0.297 199 I C 0.464 176.598 176.117 0.028 0.000 1.143 199 I CA 0.162 61.497 61.300 0.058 0.000 1.271 199 I CB -0.301 37.770 38.000 0.119 0.000 1.461 199 I HN 0.070 nan 8.210 nan 0.000 0.530 200 T N 3.288 117.855 114.554 0.021 0.000 2.897 200 T HA 0.222 4.572 4.350 -0.000 0.000 0.278 200 T C 0.177 174.891 174.700 0.023 0.000 0.981 200 T CA -0.218 61.887 62.100 0.010 0.000 0.973 200 T CB 0.614 69.480 68.868 -0.003 0.000 1.092 200 T HN 0.628 nan 8.240 nan 0.000 0.543 201 D N 0.405 120.807 120.400 0.004 0.000 2.713 201 D HA -0.138 4.502 4.640 -0.000 0.000 0.231 201 D C 0.929 177.216 176.300 -0.021 0.000 1.173 201 D CA 0.913 54.906 54.000 -0.011 0.000 0.628 201 D CB -1.380 39.415 40.800 -0.008 0.000 1.033 201 D HN 0.281 nan 8.370 nan 0.000 0.419 202 V N -0.022 119.886 119.914 -0.009 0.000 2.255 202 V HA -0.081 4.039 4.120 -0.000 0.000 0.243 202 V C 1.076 177.078 176.094 -0.154 0.000 1.038 202 V CA 1.201 63.486 62.300 -0.026 0.000 1.008 202 V CB 0.064 31.913 31.823 0.044 0.000 0.645 202 V HN 0.386 nan 8.190 nan 0.000 0.449 203 I N 4.025 124.523 120.570 -0.120 0.000 2.363 203 I HA 0.423 4.593 4.170 -0.000 0.000 0.292 203 I C -2.081 173.903 176.117 -0.222 0.000 1.075 203 I CA -2.588 58.594 61.300 -0.196 0.000 1.333 203 I CB 0.871 38.872 38.000 0.001 0.000 1.415 203 I HN 0.185 nan 8.210 nan 0.000 0.502 204 P HA 0.396 nan 4.420 nan 0.000 0.280 204 P C -2.849 174.376 177.300 -0.126 0.000 1.272 204 P CA -1.898 61.054 63.100 -0.247 0.000 0.819 204 P CB 0.302 31.791 31.700 -0.352 0.000 1.122 205 P HA -0.081 nan 4.420 nan 0.000 0.267 205 P C 0.205 177.511 177.300 0.009 0.000 1.200 205 P CA 0.651 63.735 63.100 -0.028 0.000 0.772 205 P CB 0.127 31.815 31.700 -0.020 0.000 0.855 206 Q N 0.075 119.888 119.800 0.023 0.000 2.224 206 Q HA -0.292 4.048 4.340 -0.000 0.000 0.189 206 Q C 1.443 177.504 176.000 0.102 0.000 0.639 206 Q CA 2.211 58.047 55.803 0.056 0.000 1.436 206 Q CB -2.942 25.830 28.738 0.058 0.000 1.626 206 Q HN 0.715 nan 8.270 nan 0.000 0.768 207 A N -0.129 122.766 122.820 0.126 0.000 1.968 207 A HA 0.032 4.352 4.320 -0.000 0.000 0.217 207 A C 1.036 178.734 177.584 0.189 0.000 1.169 207 A CA 0.811 52.974 52.037 0.210 0.000 0.638 207 A CB 0.183 19.398 19.000 0.357 0.000 0.812 207 A HN 0.239 nan 8.150 nan 0.000 0.446 208 I N 1.545 122.200 120.570 0.141 0.000 2.297 208 I HA 0.265 4.435 4.170 -0.000 0.000 0.291 208 I C -0.316 175.864 176.117 0.105 0.000 1.033 208 I CA -0.546 60.845 61.300 0.151 0.000 1.253 208 I CB 0.016 38.048 38.000 0.053 0.000 1.396 208 I HN 0.566 nan 8.210 nan 0.000 0.476 209 N N 3.498 122.285 118.700 0.144 0.000 2.697 209 N HA 0.331 5.071 4.740 -0.000 0.000 0.272 209 N C 0.140 175.681 175.510 0.052 0.000 1.381 209 N CA -0.768 52.324 53.050 0.069 0.000 0.797 209 N CB 0.638 39.172 38.487 0.078 0.000 1.523 209 N HN 0.291 nan 8.380 nan 0.000 0.518 210 E N -1.029 119.102 120.200 -0.114 0.000 2.533 210 E HA 0.002 4.352 4.350 -0.000 0.000 0.203 210 E C -0.311 176.141 176.600 -0.247 0.000 1.101 210 E CA 1.042 57.331 56.400 -0.185 0.000 0.894 210 E CB -0.622 28.896 29.700 -0.303 0.000 0.843 210 E HN 0.558 nan 8.360 nan 0.000 0.552 211 F N 0.566 120.560 119.950 0.073 0.000 2.724 211 F HA 0.176 4.703 4.527 -0.000 0.000 0.306 211 F C 0.495 176.282 175.800 -0.022 0.000 1.100 211 F CA -0.292 57.725 58.000 0.029 0.000 1.255 211 F CB -0.197 38.826 39.000 0.038 0.000 1.072 211 F HN -0.143 nan 8.300 nan 0.000 0.589 212 T N -0.022 114.625 114.554 0.155 0.000 2.888 212 T HA 0.244 4.594 4.350 -0.000 0.000 0.301 212 T C 1.157 175.675 174.700 -0.304 0.000 1.001 212 T CA 0.199 62.292 62.100 -0.011 0.000 1.147 212 T CB 1.672 70.634 68.868 0.157 0.000 0.931 212 T HN 0.120 nan 8.240 nan 0.000 0.541 213 V N 1.642 121.378 119.914 -0.298 0.000 3.635 213 V HA 0.536 4.656 4.120 -0.000 0.000 0.266 213 V C 0.128 176.064 176.094 -0.264 0.000 1.316 213 V CA 0.153 62.285 62.300 -0.281 0.000 1.060 213 V CB -0.208 31.575 31.823 -0.066 0.000 0.820 213 V HN 0.803 nan 8.190 nan 0.000 0.447 214 L N 0.733 121.779 121.223 -0.295 0.000 2.493 214 L HA 0.653 4.993 4.340 -0.000 0.000 0.265 214 L C -1.696 175.085 176.870 -0.148 0.000 0.954 214 L CA -0.572 54.126 54.840 -0.237 0.000 0.844 214 L CB 2.414 44.364 42.059 -0.182 0.000 1.302 214 L HN -0.036 nan 8.230 nan 0.000 0.405 215 V N 5.275 125.194 119.914 0.009 0.000 2.376 215 V HA 0.404 4.524 4.120 -0.000 0.000 0.287 215 V C -0.449 175.689 176.094 0.072 0.000 1.015 215 V CA -0.443 61.939 62.300 0.137 0.000 0.834 215 V CB 1.791 33.845 31.823 0.385 0.000 1.001 215 V HN 0.456 nan 8.190 nan 0.000 0.428 216 L N 6.760 127.963 121.223 -0.034 0.000 2.289 216 L HA 0.726 5.066 4.340 -0.000 0.000 0.285 216 L C -0.015 176.824 176.870 -0.051 0.000 1.049 216 L CA -0.077 54.700 54.840 -0.104 0.000 0.804 216 L CB 1.703 43.660 42.059 -0.170 0.000 1.195 216 L HN 0.579 nan 8.230 nan 0.000 0.428 217 V N 0.250 120.139 119.914 -0.043 0.000 2.962 217 V HA 0.695 4.815 4.120 -0.000 0.000 0.313 217 V C -0.868 175.242 176.094 0.027 0.000 1.099 217 V CA -0.688 61.644 62.300 0.052 0.000 0.971 217 V CB 2.013 33.964 31.823 0.214 0.000 1.028 217 V HN 0.860 nan 8.190 nan 0.000 0.430 218 N N 0.817 119.546 118.700 0.047 0.000 2.229 218 N HA 0.571 5.311 4.740 -0.000 0.000 0.298 218 N C -1.334 174.220 175.510 0.074 0.000 1.114 218 N CA -0.228 52.844 53.050 0.037 0.000 0.776 218 N CB 2.698 41.185 38.487 0.001 0.000 1.501 218 N HN 0.866 nan 8.380 nan 0.000 0.474 219 T N 2.673 117.273 114.554 0.077 0.000 2.893 219 T HA 0.586 4.936 4.350 -0.000 0.000 0.293 219 T C -0.670 174.083 174.700 0.089 0.000 1.027 219 T CA -0.392 61.761 62.100 0.088 0.000 0.988 219 T CB 0.991 69.905 68.868 0.076 0.000 1.043 219 T HN 0.362 nan 8.240 nan 0.000 0.461 220 I N 2.861 123.522 120.570 0.152 0.000 2.619 220 I HA 0.516 4.686 4.170 -0.000 0.000 0.292 220 I C -1.530 174.814 176.117 0.378 0.000 1.100 220 I CA -1.031 60.401 61.300 0.219 0.000 1.043 220 I CB 2.271 40.343 38.000 0.119 0.000 1.239 220 I HN 0.627 nan 8.210 nan 0.000 0.420 221 Y N 6.706 127.171 120.300 0.274 0.000 2.553 221 Y HA 0.717 5.267 4.550 -0.000 0.000 0.347 221 Y C -1.940 174.200 175.900 0.401 0.000 1.019 221 Y CA -1.124 57.163 58.100 0.312 0.000 1.032 221 Y CB 2.141 40.687 38.460 0.143 0.000 1.284 221 Y HN 0.444 nan 8.280 nan 0.000 0.466 222 F N 5.338 125.133 119.950 -0.259 0.000 2.628 222 F HA 0.647 5.174 4.527 -0.000 0.000 0.309 222 F C -2.218 173.295 175.800 -0.478 0.000 1.108 222 F CA -0.640 57.265 58.000 -0.159 0.000 0.971 222 F CB 1.550 40.571 39.000 0.036 0.000 1.279 222 F HN 0.450 nan 8.300 nan 0.000 0.441 223 K N 3.490 123.249 120.400 -1.068 0.000 2.498 223 K HA 0.839 5.159 4.320 -0.000 0.000 0.254 223 K C -1.477 174.388 176.600 -1.226 0.000 0.933 223 K CA -0.451 55.234 56.287 -1.003 0.000 0.806 223 K CB 2.108 34.392 32.500 -0.360 0.000 1.301 223 K HN 1.090 nan 8.250 nan 0.000 0.432 224 G N 3.858 112.010 108.800 -1.081 0.000 2.734 224 G HA2 0.412 4.372 3.960 -0.000 0.000 0.293 224 G HA3 0.412 4.372 3.960 -0.000 0.000 0.293 224 G C -1.363 173.394 174.900 -0.238 0.000 1.422 224 G CA -0.820 43.886 45.100 -0.657 0.000 1.177 224 G HN 0.489 nan 8.290 nan 0.000 0.565 225 L N 1.255 122.415 121.223 -0.105 0.000 2.426 225 L HA 0.355 4.695 4.340 -0.000 0.000 0.271 225 L C 0.268 177.137 176.870 -0.003 0.000 1.169 225 L CA -0.543 54.240 54.840 -0.094 0.000 0.836 225 L CB 0.695 42.736 42.059 -0.030 0.000 1.112 225 L HN 0.560 nan 8.230 nan 0.000 0.465 226 W N 2.225 123.532 121.300 0.010 0.000 2.093 226 W HA 0.172 4.832 4.660 -0.000 0.000 0.352 226 W C 1.451 177.924 176.519 -0.076 0.000 1.294 226 W CA -0.394 56.860 57.345 -0.152 0.000 1.290 226 W CB 0.499 29.749 29.460 -0.350 0.000 1.149 226 W HN 0.524 nan 8.180 nan 0.000 0.606 227 K N 0.216 120.734 120.400 0.197 0.000 1.991 227 K HA -0.039 4.281 4.320 -0.000 0.000 0.207 227 K C 0.251 176.889 176.600 0.064 0.000 1.045 227 K CA 1.040 57.393 56.287 0.109 0.000 0.937 227 K CB -0.299 32.252 32.500 0.085 0.000 0.720 227 K HN 0.321 nan 8.250 nan 0.000 0.438 228 S N 1.858 117.568 115.700 0.017 0.000 2.404 228 S HA 0.236 4.706 4.470 -0.000 0.000 0.309 228 S C -0.771 173.753 174.600 -0.127 0.000 1.076 228 S CA -0.517 57.655 58.200 -0.046 0.000 1.095 228 S CB 1.411 64.577 63.200 -0.056 0.000 0.972 228 S HN 0.115 nan 8.310 nan 0.000 0.484 229 K N 1.999 122.370 120.400 -0.048 0.000 2.218 229 K HA 0.351 4.671 4.320 -0.000 0.000 0.276 229 K C -0.686 175.885 176.600 -0.048 0.000 1.022 229 K CA -0.290 55.969 56.287 -0.046 0.000 0.946 229 K CB 0.341 32.887 32.500 0.077 0.000 1.000 229 K HN 0.373 nan 8.250 nan 0.000 0.468 230 F N 1.400 121.355 119.950 0.009 0.000 2.472 230 F HA 0.074 4.601 4.527 -0.000 0.000 0.364 230 F C 0.677 176.504 175.800 0.046 0.000 1.090 230 F CA -0.491 57.501 58.000 -0.013 0.000 1.188 230 F CB 0.388 39.366 39.000 -0.036 0.000 1.105 230 F HN 0.327 nan 8.300 nan 0.000 0.536 231 S N 6.840 122.682 115.700 0.236 0.000 2.466 231 S HA 0.077 4.547 4.470 -0.000 0.000 0.286 231 S C -1.430 173.248 174.600 0.130 0.000 1.221 231 S CA -0.845 57.447 58.200 0.153 0.000 1.091 231 S CB 0.751 64.027 63.200 0.126 0.000 0.956 231 S HN 0.398 nan 8.310 nan 0.000 0.501 232 P HA -0.126 nan 4.420 nan 0.000 0.214 232 P C 1.024 178.362 177.300 0.063 0.000 1.163 232 P CA 1.025 64.180 63.100 0.092 0.000 0.883 232 P CB 0.165 31.912 31.700 0.078 0.000 0.788 233 E N -0.549 119.681 120.200 0.050 0.000 2.265 233 E HA -0.122 4.227 4.350 -0.000 0.000 0.196 233 E C 0.960 177.571 176.600 0.018 0.000 0.996 233 E CA 0.803 57.221 56.400 0.030 0.000 0.832 233 E CB -0.994 28.721 29.700 0.024 0.000 0.756 233 E HN 0.521 nan 8.360 nan 0.000 0.491 234 N N 0.307 119.025 118.700 0.030 0.000 2.839 234 N HA 0.044 4.784 4.740 -0.000 0.000 0.314 234 N C -0.874 174.639 175.510 0.004 0.000 1.449 234 N CA -0.096 52.954 53.050 0.001 0.000 1.050 234 N CB 0.557 39.045 38.487 0.002 0.000 1.364 234 N HN -0.215 nan 8.380 nan 0.000 0.512 235 T N 1.416 115.971 114.554 0.002 0.000 2.794 235 T HA 0.457 4.807 4.350 -0.000 0.000 0.280 235 T C -0.306 174.379 174.700 -0.026 0.000 0.987 235 T CA -0.606 61.488 62.100 -0.009 0.000 0.993 235 T CB 1.087 69.965 68.868 0.017 0.000 0.939 235 T HN 0.466 nan 8.240 nan 0.000 0.449 236 R N 1.520 121.993 120.500 -0.044 0.000 2.750 236 R HA 0.592 4.932 4.340 -0.000 0.000 0.281 236 R C -0.684 175.604 176.300 -0.019 0.000 0.972 236 R CA -1.069 55.006 56.100 -0.042 0.000 0.912 236 R CB 0.566 30.820 30.300 -0.075 0.000 1.187 236 R HN 0.314 nan 8.270 nan 0.000 0.464 237 K N 1.395 121.791 120.400 -0.007 0.000 2.319 237 K HA 0.216 4.536 4.320 -0.000 0.000 0.265 237 K C -0.381 176.229 176.600 0.016 0.000 1.000 237 K CA 0.024 56.316 56.287 0.008 0.000 0.943 237 K CB 0.548 33.052 32.500 0.006 0.000 0.950 237 K HN 0.596 nan 8.250 nan 0.000 0.485 238 E N 1.092 121.312 120.200 0.034 0.000 2.430 238 E HA 0.281 4.631 4.350 -0.000 0.000 0.279 238 E C -1.097 175.528 176.600 0.042 0.000 1.003 238 E CA -0.748 55.683 56.400 0.052 0.000 0.801 238 E CB 1.666 31.421 29.700 0.092 0.000 1.313 238 E HN 0.266 nan 8.360 nan 0.000 0.459 239 L N 2.519 123.750 121.223 0.013 0.000 2.276 239 L HA 0.232 4.572 4.340 -0.000 0.000 0.286 239 L C 0.755 177.562 176.870 -0.105 0.000 1.061 239 L CA -0.073 54.686 54.840 -0.135 0.000 0.807 239 L CB 0.383 42.257 42.059 -0.309 0.000 1.177 239 L HN 0.667 nan 8.230 nan 0.000 0.429 240 F N 4.133 123.950 119.950 -0.222 0.000 2.074 240 F HA -0.051 4.476 4.527 -0.000 0.000 0.293 240 F C 0.014 175.793 175.800 -0.035 0.000 1.116 240 F CA 0.423 58.374 58.000 -0.082 0.000 1.212 240 F CB 0.158 39.133 39.000 -0.042 0.000 0.998 240 F HN 0.415 nan 8.300 nan 0.000 0.471 241 Y N 0.525 120.834 120.300 0.016 0.000 2.905 241 Y HA -0.170 4.380 4.550 -0.000 0.000 0.056 241 Y C 0.303 176.165 175.900 -0.063 0.000 2.177 241 Y CA -0.602 57.447 58.100 -0.086 0.000 1.104 241 Y CB -1.938 36.404 38.460 -0.196 0.000 1.790 241 Y HN 0.031 nan 8.280 nan 0.000 0.302 242 K N 0.861 121.378 120.400 0.195 0.000 2.149 242 K HA 0.604 4.924 4.320 -0.000 0.000 0.245 242 K C 1.359 178.037 176.600 0.131 0.000 1.024 242 K CA 0.184 56.614 56.287 0.237 0.000 0.899 242 K CB 0.504 33.106 32.500 0.170 0.000 1.038 242 K HN 0.525 nan 8.250 nan 0.000 0.496 243 A N 1.671 124.559 122.820 0.113 0.000 1.908 243 A HA -0.193 4.127 4.320 -0.000 0.000 0.218 243 A C 1.208 178.818 177.584 0.044 0.000 1.181 243 A CA 2.136 54.210 52.037 0.062 0.000 0.627 243 A CB -0.785 18.242 19.000 0.046 0.000 0.818 243 A HN 0.910 nan 8.150 nan 0.000 0.445 244 D N -1.313 119.113 120.400 0.044 0.000 2.370 244 D HA 0.254 4.894 4.640 -0.000 0.000 0.256 244 D C 1.217 177.541 176.300 0.039 0.000 1.197 244 D CA 1.105 55.124 54.000 0.032 0.000 0.922 244 D CB -0.938 39.877 40.800 0.026 0.000 0.911 244 D HN 0.763 nan 8.370 nan 0.000 0.517 245 G N 0.384 109.217 108.800 0.055 0.000 3.548 245 G HA2 -0.409 3.551 3.960 -0.000 0.000 0.224 245 G HA3 -0.409 3.551 3.960 -0.000 0.000 0.224 245 G C 0.200 175.157 174.900 0.095 0.000 1.351 245 G CA 0.231 45.373 45.100 0.070 0.000 0.905 245 G HN 0.609 nan 8.290 nan 0.000 0.561 246 E N 2.265 122.500 120.200 0.059 0.000 2.653 246 E HA 0.305 4.655 4.350 -0.000 0.000 0.264 246 E C 0.812 177.426 176.600 0.022 0.000 0.949 246 E CA 0.754 57.176 56.400 0.037 0.000 0.953 246 E CB 0.140 29.855 29.700 0.025 0.000 0.925 246 E HN 0.703 nan 8.360 nan 0.000 0.475 247 S N 3.063 118.737 115.700 -0.042 0.000 2.690 247 S HA 0.513 4.983 4.470 -0.000 0.000 0.291 247 S C -0.399 174.143 174.600 -0.096 0.000 1.138 247 S CA -1.074 57.029 58.200 -0.161 0.000 1.013 247 S CB 1.757 64.723 63.200 -0.390 0.000 1.053 247 S HN 0.530 nan 8.310 nan 0.000 0.539 248 c N 1.572 120.118 118.600 -0.089 0.000 2.507 248 c HA 0.759 5.329 4.570 -0.000 0.000 0.319 248 c C 0.069 174.137 174.090 -0.037 0.000 1.208 248 c CA -0.406 55.911 56.329 -0.019 0.000 1.619 248 c CB 1.477 44.020 42.510 0.055 0.000 2.230 248 c HN 0.967 nan 8.230 nan 0.000 0.492 249 S N 2.108 117.793 115.700 -0.026 0.000 2.438 249 S HA 0.657 5.127 4.470 -0.000 0.000 0.293 249 S C -0.622 173.981 174.600 0.006 0.000 1.141 249 S CA -0.490 57.701 58.200 -0.016 0.000 1.080 249 S CB 1.292 64.482 63.200 -0.016 0.000 0.978 249 S HN 0.706 nan 8.310 nan 0.000 0.479 250 V N 4.883 124.815 119.914 0.030 0.000 2.891 250 V HA 0.325 4.444 4.120 -0.000 0.000 0.304 250 V C -1.305 174.822 176.094 0.055 0.000 1.171 250 V CA -0.993 61.331 62.300 0.040 0.000 0.943 250 V CB 1.750 33.598 31.823 0.041 0.000 1.037 250 V HN 0.730 nan 8.190 nan 0.000 0.427 251 L N 6.214 127.466 121.223 0.049 0.000 2.499 251 L HA 0.330 4.670 4.340 -0.000 0.000 0.273 251 L C 0.144 177.045 176.870 0.052 0.000 1.195 251 L CA 0.975 55.841 54.840 0.043 0.000 0.882 251 L CB 0.819 42.904 42.059 0.042 0.000 1.133 251 L HN 0.633 nan 8.230 nan 0.000 0.483 252 M N 4.695 124.309 119.600 0.025 0.000 2.197 252 M HA 0.378 4.858 4.480 -0.000 0.000 0.301 252 M C -0.416 175.838 176.300 -0.076 0.000 0.987 252 M CA -0.485 54.819 55.300 0.006 0.000 0.921 252 M CB 2.041 34.664 32.600 0.040 0.000 1.569 252 M HN 0.510 nan 8.290 nan 0.000 0.431 253 M N 2.815 122.314 119.600 -0.169 0.000 2.250 253 M HA 0.259 4.739 4.480 -0.000 0.000 0.344 253 M C -1.044 175.001 176.300 -0.425 0.000 1.150 253 M CA -0.137 54.955 55.300 -0.347 0.000 1.147 253 M CB 0.830 33.027 32.600 -0.672 0.000 1.498 253 M HN 0.504 nan 8.290 nan 0.000 0.461 254 Y N 1.791 121.827 120.300 -0.440 0.000 2.425 254 Y HA 0.483 5.033 4.550 -0.000 0.000 0.344 254 Y C -1.025 174.778 175.900 -0.161 0.000 0.969 254 Y CA -0.528 57.363 58.100 -0.348 0.000 1.052 254 Y CB 1.579 39.858 38.460 -0.302 0.000 1.215 254 Y HN 0.678 nan 8.280 nan 0.000 0.451 255 Q N 4.869 124.268 119.800 -0.668 0.000 2.364 255 Q HA 0.217 4.557 4.340 -0.000 0.000 0.257 255 Q C -2.033 173.782 176.000 -0.307 0.000 0.956 255 Q CA -0.614 55.039 55.803 -0.251 0.000 0.924 255 Q CB 1.753 30.639 28.738 0.246 0.000 1.413 255 Q HN 0.854 nan 8.270 nan 0.000 0.418 256 E N 2.465 122.542 120.200 -0.206 0.000 2.129 256 E HA 0.622 4.972 4.350 -0.000 0.000 0.268 256 E C -1.528 175.056 176.600 -0.027 0.000 0.900 256 E CA -0.034 56.308 56.400 -0.096 0.000 0.755 256 E CB 1.682 31.352 29.700 -0.050 0.000 1.117 256 E HN 0.541 nan 8.360 nan 0.000 0.410 257 S N 3.309 118.989 115.700 -0.034 0.000 2.694 257 S HA 0.355 4.825 4.470 -0.000 0.000 0.273 257 S C -1.687 172.594 174.600 -0.530 0.000 1.180 257 S CA -0.827 57.213 58.200 -0.267 0.000 0.864 257 S CB 0.913 63.913 63.200 -0.334 0.000 1.198 257 S HN 0.418 nan 8.310 nan 0.000 0.499 258 K N 0.508 120.449 120.400 -0.766 0.000 2.159 258 K HA 0.724 5.044 4.320 -0.000 0.000 0.266 258 K C -1.587 174.296 176.600 -1.195 0.000 0.975 258 K CA -0.171 55.715 56.287 -0.668 0.000 0.865 258 K CB 0.865 33.156 32.500 -0.348 0.000 1.087 258 K HN 0.402 nan 8.250 nan 0.000 0.446 259 F N -0.174 119.727 119.950 -0.081 0.000 2.693 259 F HA 0.382 4.909 4.527 -0.000 0.000 0.309 259 F C -0.089 175.675 175.800 -0.059 0.000 1.129 259 F CA -1.232 56.712 58.000 -0.094 0.000 0.948 259 F CB 1.002 39.920 39.000 -0.137 0.000 1.315 259 F HN 0.171 nan 8.300 nan 0.000 0.447 260 R N 0.803 121.380 120.500 0.128 0.000 2.643 260 R HA 0.399 4.739 4.340 -0.000 0.000 0.270 260 R C -1.535 174.816 176.300 0.085 0.000 1.061 260 R CA -0.066 56.055 56.100 0.035 0.000 1.107 260 R CB 0.543 30.791 30.300 -0.087 0.000 0.999 260 R HN 0.692 nan 8.270 nan 0.000 0.460 261 Y N 0.631 120.884 120.300 -0.077 0.000 2.521 261 Y HA 0.422 4.972 4.550 -0.000 0.000 0.328 261 Y C -1.635 174.232 175.900 -0.055 0.000 1.151 261 Y CA -0.987 57.066 58.100 -0.079 0.000 1.054 261 Y CB 1.554 40.001 38.460 -0.022 0.000 1.338 261 Y HN 0.467 nan 8.280 nan 0.000 0.453 262 R N 4.139 124.061 120.500 -0.964 0.000 2.604 262 R HA 0.436 4.776 4.340 -0.000 0.000 0.281 262 R C -1.554 174.271 176.300 -0.792 0.000 1.020 262 R CA -1.203 54.409 56.100 -0.814 0.000 0.899 262 R CB 2.688 32.783 30.300 -0.341 0.000 1.205 262 R HN 0.866 nan 8.270 nan 0.000 0.450 263 R N 2.659 122.835 120.500 -0.540 0.000 2.229 263 R HA 0.354 4.694 4.340 -0.000 0.000 0.332 263 R C 0.241 176.472 176.300 -0.115 0.000 0.989 263 R CA -0.409 55.575 56.100 -0.194 0.000 0.842 263 R CB 0.852 31.150 30.300 -0.003 0.000 1.119 263 R HN 0.502 nan 8.270 nan 0.000 0.456 264 V N 1.453 121.326 119.914 -0.069 0.000 4.247 264 V HA 0.758 4.878 4.120 -0.000 0.000 0.284 264 V C 0.247 176.332 176.094 -0.015 0.000 1.349 264 V CA -0.748 61.527 62.300 -0.041 0.000 0.885 264 V CB 0.430 32.233 31.823 -0.032 0.000 1.296 264 V HN 0.797 nan 8.190 nan 0.000 0.458 265 A N -0.419 122.397 122.820 -0.007 0.000 2.531 265 A HA 0.326 4.646 4.320 -0.000 0.000 0.236 265 A C 0.753 178.338 177.584 0.001 0.000 1.062 265 A CA 0.793 52.830 52.037 -0.001 0.000 0.760 265 A CB -1.023 17.978 19.000 0.002 0.000 0.995 265 A HN 1.190 nan 8.150 nan 0.000 0.501 266 E N 0.872 121.071 120.200 -0.001 0.000 2.660 266 E HA -0.225 4.125 4.350 -0.000 0.000 0.260 266 E C 0.302 176.902 176.600 -0.001 0.000 1.122 266 E CA 0.674 57.073 56.400 -0.002 0.000 0.755 266 E CB -1.797 27.902 29.700 -0.001 0.000 1.345 266 E HN 0.924 nan 8.360 nan 0.000 0.421 267 S N -0.549 115.152 115.700 0.001 0.000 3.486 267 S HA -0.207 4.263 4.470 -0.000 0.000 0.371 267 S C 0.313 174.925 174.600 0.019 0.000 1.001 267 S CA 1.315 59.520 58.200 0.008 0.000 1.164 267 S CB -0.937 62.267 63.200 0.006 0.000 0.911 267 S HN 0.408 nan 8.310 nan 0.000 0.472 268 T N 2.327 116.893 114.554 0.021 0.000 2.926 268 T HA 0.207 4.557 4.350 -0.000 0.000 0.307 268 T C 0.456 175.194 174.700 0.063 0.000 1.059 268 T CA 0.138 62.265 62.100 0.045 0.000 1.122 268 T CB 0.577 69.469 68.868 0.041 0.000 0.972 268 T HN 0.385 nan 8.240 nan 0.000 0.545 269 Q N 1.681 121.564 119.800 0.140 0.000 2.348 269 Q HA 0.482 4.822 4.340 -0.000 0.000 0.265 269 Q C -0.774 175.359 176.000 0.222 0.000 0.998 269 Q CA -0.750 55.196 55.803 0.237 0.000 0.831 269 Q CB 1.556 30.571 28.738 0.462 0.000 1.251 269 Q HN 0.542 nan 8.270 nan 0.000 0.456 270 V N 1.779 121.706 119.914 0.022 0.000 2.277 270 V HA 0.432 4.552 4.120 -0.000 0.000 0.269 270 V C -0.467 175.544 176.094 -0.138 0.000 1.036 270 V CA -0.934 61.337 62.300 -0.047 0.000 0.821 270 V CB 0.261 32.038 31.823 -0.077 0.000 1.052 270 V HN 0.549 nan 8.190 nan 0.000 0.462 271 L N 3.222 124.308 121.223 -0.227 0.000 2.307 271 L HA 0.687 5.027 4.340 -0.000 0.000 0.282 271 L C -0.053 176.618 176.870 -0.333 0.000 1.051 271 L CA -0.052 54.570 54.840 -0.365 0.000 0.804 271 L CB 1.547 43.033 42.059 -0.955 0.000 1.197 271 L HN 0.867 nan 8.230 nan 0.000 0.431 272 E N 4.581 124.613 120.200 -0.280 0.000 2.155 272 E HA 0.421 4.771 4.350 -0.000 0.000 0.264 272 E C -1.616 174.885 176.600 -0.164 0.000 0.886 272 E CA -0.424 55.825 56.400 -0.252 0.000 0.752 272 E CB 0.955 30.438 29.700 -0.362 0.000 1.133 272 E HN 0.738 nan 8.360 nan 0.000 0.414 273 L N 7.788 128.925 121.223 -0.142 0.000 2.297 273 L HA 0.429 4.769 4.340 -0.000 0.000 0.277 273 L C -2.102 174.750 176.870 -0.030 0.000 1.040 273 L CA -2.021 52.722 54.840 -0.161 0.000 0.867 273 L CB 1.041 42.857 42.059 -0.406 0.000 1.244 273 L HN 0.437 nan 8.230 nan 0.000 0.433 274 P HA 0.164 nan 4.420 nan 0.000 0.279 274 P C -0.704 176.663 177.300 0.112 0.000 1.239 274 P CA -0.130 63.051 63.100 0.136 0.000 0.789 274 P CB 0.885 32.669 31.700 0.139 0.000 0.933 275 F N 0.920 121.024 119.950 0.256 0.000 2.362 275 F HA 0.323 4.850 4.527 -0.000 0.000 0.311 275 F C 1.721 177.606 175.800 0.141 0.000 1.161 275 F CA -0.598 57.522 58.000 0.199 0.000 1.085 275 F CB 0.403 39.514 39.000 0.185 0.000 1.311 275 F HN 0.221 nan 8.300 nan 0.000 0.524 276 K N 0.761 121.355 120.400 0.325 0.000 2.543 276 K HA 0.054 4.374 4.320 -0.000 0.000 0.279 276 K C 0.881 177.586 176.600 0.176 0.000 1.001 276 K CA 1.052 57.452 56.287 0.188 0.000 1.088 276 K CB -0.279 32.301 32.500 0.132 0.000 0.863 276 K HN 0.915 nan 8.250 nan 0.000 0.488 277 G N 4.199 113.077 108.800 0.128 0.000 2.225 277 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.267 277 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.267 277 G C 0.031 175.006 174.900 0.126 0.000 1.024 277 G CA 0.555 45.721 45.100 0.109 0.000 0.784 277 G HN 1.070 nan 8.290 nan 0.000 0.507 278 D N -1.133 119.359 120.400 0.153 0.000 2.860 278 D HA -0.173 4.467 4.640 -0.000 0.000 0.229 278 D C 0.744 177.138 176.300 0.158 0.000 1.169 278 D CA 1.393 55.486 54.000 0.156 0.000 0.737 278 D CB -0.392 40.476 40.800 0.114 0.000 1.080 278 D HN 0.603 nan 8.370 nan 0.000 0.424 279 D N -0.327 120.171 120.400 0.164 0.000 2.369 279 D HA 0.173 4.813 4.640 -0.000 0.000 0.231 279 D C 1.163 177.549 176.300 0.144 0.000 0.967 279 D CA 0.435 54.512 54.000 0.130 0.000 0.905 279 D CB 0.886 41.741 40.800 0.092 0.000 1.044 279 D HN 0.295 nan 8.370 nan 0.000 0.487 280 I N 0.582 121.260 120.570 0.180 0.000 2.441 280 I HA 0.184 4.354 4.170 -0.000 0.000 0.295 280 I C 0.140 176.516 176.117 0.431 0.000 0.994 280 I CA -0.175 61.219 61.300 0.157 0.000 1.144 280 I CB 2.335 40.276 38.000 -0.097 0.000 1.314 280 I HN -0.285 nan 8.210 nan 0.000 0.445 281 T N 6.219 121.039 114.554 0.443 0.000 2.932 281 T HA 0.514 4.864 4.350 -0.000 0.000 0.289 281 T C -0.693 174.373 174.700 0.610 0.000 1.039 281 T CA -0.637 61.780 62.100 0.529 0.000 1.024 281 T CB 1.521 70.654 68.868 0.441 0.000 1.090 281 T HN 0.510 nan 8.240 nan 0.000 0.496 282 M N 4.038 123.962 119.600 0.540 0.000 2.072 282 M HA 0.560 5.040 4.480 -0.000 0.000 0.331 282 M C -1.421 175.064 176.300 0.307 0.000 1.004 282 M CA -0.561 55.046 55.300 0.511 0.000 0.952 282 M CB 0.589 33.541 32.600 0.586 0.000 1.511 282 M HN 0.291 nan 8.290 nan 0.000 0.422 283 V N 6.443 126.553 119.914 0.327 0.000 2.509 283 V HA 0.444 4.564 4.120 -0.000 0.000 0.284 283 V C -0.102 176.094 176.094 0.171 0.000 1.047 283 V CA -0.518 61.904 62.300 0.204 0.000 0.952 283 V CB 1.700 33.769 31.823 0.409 0.000 0.988 283 V HN 0.792 nan 8.190 nan 0.000 0.469 284 L N 6.065 127.303 121.223 0.025 0.000 2.334 284 L HA 0.631 4.971 4.340 -0.000 0.000 0.276 284 L C -0.704 176.256 176.870 0.150 0.000 1.014 284 L CA -0.553 54.360 54.840 0.121 0.000 0.815 284 L CB 1.965 43.986 42.059 -0.062 0.000 1.268 284 L HN 0.455 nan 8.230 nan 0.000 0.428 285 I N 4.146 124.888 120.570 0.288 0.000 2.410 285 I HA 0.362 4.532 4.170 -0.000 0.000 0.286 285 I C -0.871 175.443 176.117 0.330 0.000 1.009 285 I CA -0.391 61.065 61.300 0.260 0.000 1.111 285 I CB 2.240 40.355 38.000 0.192 0.000 1.262 285 I HN 0.378 nan 8.210 nan 0.000 0.443 286 L N 9.892 131.310 121.223 0.325 0.000 2.343 286 L HA 0.679 5.019 4.340 -0.000 0.000 0.278 286 L C -2.447 174.478 176.870 0.092 0.000 0.996 286 L CA -1.427 53.531 54.840 0.197 0.000 0.831 286 L CB 1.772 43.837 42.059 0.008 0.000 1.232 286 L HN 0.265 nan 8.230 nan 0.000 0.413 287 P HA 0.127 nan 4.420 nan 0.000 0.276 287 P C -1.032 176.260 177.300 -0.015 0.000 1.261 287 P CA -0.580 62.539 63.100 0.031 0.000 0.800 287 P CB 0.811 32.532 31.700 0.036 0.000 1.066 288 K N 0.585 120.974 120.400 -0.019 0.000 2.319 288 K HA 0.050 4.370 4.320 -0.000 0.000 0.265 288 K C 1.423 177.987 176.600 -0.061 0.000 1.000 288 K CA -0.259 56.002 56.287 -0.044 0.000 0.943 288 K CB 0.110 32.590 32.500 -0.034 0.000 0.950 288 K HN 0.313 nan 8.250 nan 0.000 0.485 289 L N 2.441 123.613 121.223 -0.086 0.000 1.997 289 L HA -0.205 4.135 4.340 -0.000 0.000 0.216 289 L C 0.902 177.725 176.870 -0.078 0.000 1.074 289 L CA 1.997 56.776 54.840 -0.101 0.000 0.763 289 L CB -0.183 41.804 42.059 -0.121 0.000 0.890 289 L HN 0.578 nan 8.230 nan 0.000 0.434 290 E N 1.128 121.290 120.200 -0.063 0.000 2.325 290 E HA 0.206 4.556 4.350 -0.000 0.000 0.295 290 E C -0.288 176.289 176.600 -0.039 0.000 1.461 290 E CA 0.081 56.451 56.400 -0.051 0.000 1.698 290 E CB -0.279 29.394 29.700 -0.046 0.000 1.496 290 E HN 0.146 nan 8.360 nan 0.000 0.474 291 K N -0.005 120.372 120.400 -0.037 0.000 2.625 291 K HA 0.325 4.645 4.320 -0.000 0.000 0.284 291 K C -1.282 175.304 176.600 -0.023 0.000 0.984 291 K CA -0.416 55.856 56.287 -0.025 0.000 0.865 291 K CB 2.230 34.718 32.500 -0.020 0.000 1.468 291 K HN 0.156 nan 8.250 nan 0.000 0.407 292 T N 1.319 115.865 114.554 -0.013 0.000 2.908 292 T HA 0.362 4.712 4.350 -0.000 0.000 0.290 292 T C 0.909 175.613 174.700 0.007 0.000 1.034 292 T CA -0.591 61.504 62.100 -0.008 0.000 1.010 292 T CB 0.976 69.837 68.868 -0.012 0.000 1.068 292 T HN 0.438 nan 8.240 nan 0.000 0.481 293 L N 4.477 125.711 121.223 0.018 0.000 2.093 293 L HA 0.242 4.582 4.340 -0.000 0.000 0.208 293 L C 2.584 179.471 176.870 0.029 0.000 1.085 293 L CA 2.479 57.343 54.840 0.040 0.000 0.755 293 L CB -1.079 41.014 42.059 0.057 0.000 0.904 293 L HN 0.846 nan 8.230 nan 0.000 0.435 294 A N -1.021 121.804 122.820 0.009 0.000 2.084 294 A HA -0.265 4.055 4.320 -0.000 0.000 0.221 294 A C 2.389 179.964 177.584 -0.014 0.000 1.161 294 A CA 2.029 54.060 52.037 -0.010 0.000 0.653 294 A CB -0.515 18.472 19.000 -0.022 0.000 0.802 294 A HN 0.533 nan 8.150 nan 0.000 0.457 295 K N -1.049 119.348 120.400 -0.006 0.000 2.044 295 K HA 0.066 4.386 4.320 -0.000 0.000 0.204 295 K C 1.855 178.456 176.600 0.002 0.000 1.045 295 K CA 0.952 57.233 56.287 -0.009 0.000 0.951 295 K CB -0.168 32.327 32.500 -0.008 0.000 0.738 295 K HN 0.212 nan 8.250 nan 0.000 0.443 296 V N 2.207 122.132 119.914 0.018 0.000 2.392 296 V HA -0.276 3.844 4.120 -0.000 0.000 0.249 296 V C 1.900 178.022 176.094 0.047 0.000 1.059 296 V CA 1.779 64.099 62.300 0.033 0.000 1.051 296 V CB -0.399 31.452 31.823 0.048 0.000 0.658 296 V HN 0.368 nan 8.190 nan 0.000 0.455 297 E N -0.173 120.063 120.200 0.060 0.000 2.033 297 E HA -0.262 4.088 4.350 -0.000 0.000 0.199 297 E C 1.863 178.486 176.600 0.037 0.000 1.011 297 E CA 1.369 57.826 56.400 0.096 0.000 0.815 297 E CB -0.194 29.546 29.700 0.066 0.000 0.755 297 E HN 0.540 nan 8.360 nan 0.000 0.451 298 Q N 0.506 120.295 119.800 -0.017 0.000 2.938 298 Q HA -0.028 4.312 4.340 -0.000 0.000 0.343 298 Q C -0.257 175.725 176.000 -0.030 0.000 1.185 298 Q CA 0.586 56.359 55.803 -0.049 0.000 0.939 298 Q CB 0.645 29.335 28.738 -0.081 0.000 1.480 298 Q HN 0.137 nan 8.270 nan 0.000 0.442 299 E N -0.216 119.978 120.200 -0.011 0.000 2.209 299 E HA 0.194 4.544 4.350 -0.000 0.000 0.192 299 E C -0.489 176.110 176.600 -0.002 0.000 0.979 299 E CA -0.077 56.319 56.400 -0.008 0.000 1.419 299 E CB -0.100 29.600 29.700 -0.002 0.000 3.128 299 E HN 0.477 nan 8.360 nan 0.000 0.975 300 L N 2.285 123.516 121.223 0.013 0.000 2.825 300 L HA 0.030 4.370 4.340 -0.000 0.000 0.278 300 L C -0.382 176.474 176.870 -0.024 0.000 1.125 300 L CA 0.875 55.723 54.840 0.013 0.000 1.023 300 L CB 0.074 42.161 42.059 0.047 0.000 1.377 300 L HN 0.049 nan 8.230 nan 0.000 0.471 301 T N 5.791 120.323 114.554 -0.038 0.000 2.824 301 T HA 0.265 4.615 4.350 -0.000 0.000 0.280 301 T C -1.233 173.406 174.700 -0.102 0.000 0.995 301 T CA -1.154 60.899 62.100 -0.079 0.000 1.009 301 T CB 1.831 70.670 68.868 -0.049 0.000 0.955 301 T HN 0.420 nan 8.240 nan 0.000 0.452 302 P HA -0.132 nan 4.420 nan 0.000 0.220 302 P C 0.615 177.861 177.300 -0.090 0.000 1.144 302 P CA 1.193 64.199 63.100 -0.157 0.000 0.800 302 P CB 0.364 31.915 31.700 -0.249 0.000 0.772 303 D N -0.594 119.770 120.400 -0.060 0.000 2.347 303 D HA 0.042 4.682 4.640 -0.000 0.000 0.215 303 D C 0.988 177.290 176.300 0.002 0.000 0.976 303 D CA 0.563 54.553 54.000 -0.017 0.000 0.884 303 D CB -0.038 40.765 40.800 0.005 0.000 0.915 303 D HN 0.311 nan 8.370 nan 0.000 0.526 304 M N 1.670 121.268 119.600 -0.003 0.000 2.725 304 M HA 0.179 4.659 4.480 -0.000 0.000 0.322 304 M C 0.979 177.302 176.300 0.038 0.000 1.393 304 M CA 0.190 55.504 55.300 0.024 0.000 1.452 304 M CB 0.537 33.147 32.600 0.018 0.000 1.242 304 M HN 0.044 nan 8.290 nan 0.000 0.487 305 L N -0.379 120.880 121.223 0.060 0.000 3.195 305 L HA 0.162 4.502 4.340 -0.000 0.000 0.290 305 L C 1.568 178.535 176.870 0.161 0.000 1.092 305 L CA 0.034 54.936 54.840 0.104 0.000 1.094 305 L CB -0.028 42.023 42.059 -0.013 0.000 1.743 305 L HN 0.424 nan 8.230 nan 0.000 0.579 306 Q N 1.514 121.375 119.800 0.102 0.000 2.160 306 Q HA -0.386 3.954 4.340 -0.000 0.000 0.219 306 Q C 1.617 177.678 176.000 0.103 0.000 1.051 306 Q CA 3.179 59.036 55.803 0.090 0.000 0.929 306 Q CB -0.606 28.166 28.738 0.056 0.000 1.059 306 Q HN 0.699 nan 8.270 nan 0.000 0.428 307 E N -0.451 119.807 120.200 0.097 0.000 2.055 307 E HA -0.261 4.089 4.350 -0.000 0.000 0.209 307 E C 1.579 178.232 176.600 0.089 0.000 1.036 307 E CA 1.847 58.286 56.400 0.066 0.000 0.849 307 E CB -0.427 29.320 29.700 0.078 0.000 0.767 307 E HN 0.437 nan 8.360 nan 0.000 0.461 308 W N 0.638 121.934 121.300 -0.007 0.000 2.338 308 W HA -0.145 4.515 4.660 -0.000 0.000 0.304 308 W C 1.740 178.268 176.519 0.016 0.000 1.212 308 W CA 0.875 58.224 57.345 0.006 0.000 1.264 308 W CB 0.034 29.503 29.460 0.015 0.000 1.142 308 W HN 0.095 nan 8.180 nan 0.000 0.512 309 L N 0.030 121.453 121.223 0.333 0.000 2.591 309 L HA 0.018 4.358 4.340 -0.000 0.000 0.228 309 L C 0.148 177.093 176.870 0.124 0.000 1.133 309 L CA 1.374 56.359 54.840 0.241 0.000 0.880 309 L CB -0.783 41.395 42.059 0.199 0.000 1.033 309 L HN -0.058 nan 8.230 nan 0.000 0.450 310 D N -1.054 119.391 120.400 0.075 0.000 2.535 310 D HA 0.023 4.663 4.640 -0.000 0.000 0.229 310 D C 1.073 177.361 176.300 -0.020 0.000 1.238 310 D CA 0.092 54.108 54.000 0.026 0.000 0.824 310 D CB 0.684 41.494 40.800 0.016 0.000 1.045 310 D HN 0.203 nan 8.370 nan 0.000 0.500 311 E N 1.148 121.324 120.200 -0.040 0.000 2.403 311 E HA 0.016 4.366 4.350 -0.000 0.000 0.187 311 E C 0.890 177.440 176.600 -0.082 0.000 1.073 311 E CA 0.038 56.368 56.400 -0.117 0.000 0.888 311 E CB 0.069 29.617 29.700 -0.253 0.000 1.035 311 E HN 0.107 nan 8.360 nan 0.000 0.471 312 L N 0.239 121.444 121.223 -0.031 0.000 2.930 312 L HA 0.266 4.606 4.340 -0.000 0.000 0.250 312 L C -0.633 176.233 176.870 -0.007 0.000 1.320 312 L CA 0.278 55.112 54.840 -0.010 0.000 1.163 312 L CB -1.524 40.543 42.059 0.013 0.000 1.542 312 L HN -0.103 nan 8.230 nan 0.000 0.428 313 T N -0.060 114.488 114.554 -0.010 0.000 3.066 313 T HA 0.262 4.612 4.350 -0.000 0.000 0.318 313 T C 0.137 174.851 174.700 0.023 0.000 0.979 313 T CA -0.676 61.429 62.100 0.009 0.000 1.025 313 T CB 1.899 70.776 68.868 0.015 0.000 1.002 313 T HN 0.483 nan 8.240 nan 0.000 0.453 314 E N 2.128 122.334 120.200 0.010 0.000 2.422 314 E HA 0.438 4.788 4.350 -0.000 0.000 0.260 314 E C -0.294 176.330 176.600 0.040 0.000 1.108 314 E CA -0.521 55.883 56.400 0.007 0.000 0.943 314 E CB 0.447 30.122 29.700 -0.041 0.000 0.961 314 E HN 0.578 nan 8.360 nan 0.000 0.443 315 T N -0.754 113.829 114.554 0.049 0.000 2.883 315 T HA 0.361 4.711 4.350 -0.000 0.000 0.296 315 T C -0.414 174.269 174.700 -0.029 0.000 1.117 315 T CA -1.159 60.960 62.100 0.032 0.000 1.006 315 T CB 1.263 70.175 68.868 0.074 0.000 1.191 315 T HN 0.348 nan 8.240 nan 0.000 0.508 316 L N 2.006 123.204 121.223 -0.041 0.000 2.331 316 L HA 0.738 5.078 4.340 -0.000 0.000 0.278 316 L C -0.774 176.067 176.870 -0.048 0.000 1.106 316 L CA -0.782 54.021 54.840 -0.062 0.000 0.824 316 L CB 0.712 42.742 42.059 -0.049 0.000 1.142 316 L HN 0.808 nan 8.230 nan 0.000 0.443 317 L N 5.337 126.550 121.223 -0.017 0.000 2.466 317 L HA 0.562 4.902 4.340 -0.000 0.000 0.258 317 L C -1.268 175.629 176.870 0.045 0.000 0.973 317 L CA -0.516 54.329 54.840 0.008 0.000 0.826 317 L CB 2.273 44.368 42.059 0.061 0.000 1.372 317 L HN 0.242 nan 8.230 nan 0.000 0.409 318 V N 4.441 124.343 119.914 -0.020 0.000 2.383 318 V HA 0.647 4.767 4.120 -0.000 0.000 0.275 318 V C -0.406 175.657 176.094 -0.051 0.000 1.036 318 V CA -0.552 61.707 62.300 -0.068 0.000 0.889 318 V CB 1.310 33.123 31.823 -0.016 0.000 0.985 318 V HN 0.534 nan 8.190 nan 0.000 0.459 319 V N 4.982 124.833 119.914 -0.104 0.000 2.483 319 V HA 0.458 4.578 4.120 -0.000 0.000 0.297 319 V C -0.558 175.507 176.094 -0.048 0.000 1.027 319 V CA -0.628 61.639 62.300 -0.055 0.000 0.855 319 V CB 1.583 33.285 31.823 -0.201 0.000 0.995 319 V HN 0.922 nan 8.190 nan 0.000 0.424 320 H N 6.262 125.225 119.070 -0.180 0.000 2.539 320 H HA 0.751 5.307 4.556 -0.000 0.000 0.332 320 H C -0.336 174.888 175.328 -0.174 0.000 1.031 320 H CA -0.784 55.158 56.048 -0.177 0.000 1.206 320 H CB 1.848 31.568 29.762 -0.070 0.000 1.446 320 H HN 0.738 nan 8.280 nan 0.000 0.496 321 M N 1.724 121.249 119.600 -0.126 0.000 2.433 321 M HA 0.517 4.997 4.480 -0.000 0.000 0.290 321 M C -3.205 173.119 176.300 0.041 0.000 1.173 321 M CA -2.367 52.892 55.300 -0.068 0.000 0.905 321 M CB 2.760 35.288 32.600 -0.119 0.000 1.692 321 M HN 0.125 nan 8.290 nan 0.000 0.462 322 P HA 0.029 nan 4.420 nan 0.000 0.269 322 P C -1.131 176.377 177.300 0.348 0.000 1.217 322 P CA -0.122 63.144 63.100 0.276 0.000 0.783 322 P CB 0.417 32.286 31.700 0.282 0.000 0.898 323 R N 3.474 124.117 120.500 0.239 0.000 2.471 323 R HA 0.245 4.585 4.340 -0.000 0.000 0.292 323 R C -0.791 175.618 176.300 0.182 0.000 1.192 323 R CA -0.432 55.784 56.100 0.194 0.000 1.257 323 R CB -0.946 29.427 30.300 0.121 0.000 1.130 323 R HN 0.420 nan 8.270 nan 0.000 0.558 324 F N 0.841 120.813 119.950 0.036 0.000 2.518 324 F HA 0.675 5.202 4.527 -0.000 0.000 0.338 324 F C -0.604 175.132 175.800 -0.106 0.000 1.065 324 F CA -1.470 56.501 58.000 -0.048 0.000 1.012 324 F CB 0.922 39.870 39.000 -0.087 0.000 1.297 324 F HN 0.130 nan 8.300 nan 0.000 0.489 325 R N 2.989 123.441 120.500 -0.079 0.000 2.569 325 R HA 0.421 4.761 4.340 -0.000 0.000 0.293 325 R C -1.903 174.303 176.300 -0.156 0.000 1.186 325 R CA -0.500 55.414 56.100 -0.311 0.000 0.956 325 R CB 1.152 31.297 30.300 -0.258 0.000 1.196 325 R HN 0.992 nan 8.270 nan 0.000 0.444 326 I N 0.340 120.815 120.570 -0.160 0.000 2.354 326 I HA 0.558 4.728 4.170 -0.000 0.000 0.292 326 I C -0.254 175.800 176.117 -0.104 0.000 0.989 326 I CA -0.736 60.525 61.300 -0.064 0.000 1.188 326 I CB 1.836 39.848 38.000 0.021 0.000 1.342 326 I HN 0.480 nan 8.210 nan 0.000 0.457 327 E N 4.192 124.409 120.200 0.028 0.000 2.235 327 E HA 0.516 4.865 4.350 -0.000 0.000 0.265 327 E C -1.613 175.130 176.600 0.239 0.000 0.940 327 E CA -0.584 55.921 56.400 0.174 0.000 0.819 327 E CB 1.771 31.607 29.700 0.227 0.000 1.206 327 E HN 0.793 nan 8.360 nan 0.000 0.409 328 D N 0.378 120.972 120.400 0.323 0.000 2.706 328 D HA 0.292 4.932 4.640 -0.000 0.000 0.227 328 D C -1.951 174.591 176.300 0.403 0.000 1.233 328 D CA -0.236 53.953 54.000 0.314 0.000 0.768 328 D CB 1.657 42.645 40.800 0.313 0.000 1.490 328 D HN 0.421 nan 8.370 nan 0.000 0.458 329 S N 0.666 116.618 115.700 0.420 0.000 2.570 329 S HA 0.924 5.394 4.470 -0.000 0.000 0.270 329 S C -1.152 173.827 174.600 0.633 0.000 1.149 329 S CA -0.859 57.647 58.200 0.511 0.000 0.837 329 S CB 1.605 64.989 63.200 0.306 0.000 1.124 329 S HN 0.736 nan 8.310 nan 0.000 0.465 330 F N -1.967 118.150 119.950 0.277 0.000 2.807 330 F HA 0.810 5.337 4.527 -0.000 0.000 0.316 330 F C -0.796 175.217 175.800 0.355 0.000 1.162 330 F CA -1.030 57.124 58.000 0.256 0.000 0.910 330 F CB 1.027 40.141 39.000 0.190 0.000 1.314 330 F HN 0.719 nan 8.300 nan 0.000 0.454 331 S N 0.650 116.535 115.700 0.308 0.000 2.422 331 S HA 0.506 4.976 4.470 -0.000 0.000 0.308 331 S C 0.453 175.110 174.600 0.094 0.000 1.097 331 S CA -0.415 57.879 58.200 0.157 0.000 1.099 331 S CB 0.982 64.281 63.200 0.164 0.000 0.976 331 S HN 0.702 nan 8.310 nan 0.000 0.471 332 V N 6.295 126.212 119.914 0.006 0.000 2.688 332 V HA -0.126 3.994 4.120 -0.000 0.000 0.256 332 V C 2.738 178.906 176.094 0.124 0.000 1.084 332 V CA 1.323 63.718 62.300 0.157 0.000 1.103 332 V CB -0.767 31.141 31.823 0.142 0.000 0.688 332 V HN 0.793 nan 8.190 nan 0.000 0.480 333 K N 0.778 121.162 120.400 -0.026 0.000 2.030 333 K HA -0.264 4.056 4.320 -0.000 0.000 0.222 333 K C 2.193 178.590 176.600 -0.340 0.000 1.056 333 K CA 2.373 58.481 56.287 -0.299 0.000 0.957 333 K CB -0.377 31.969 32.500 -0.257 0.000 0.727 333 K HN 0.690 nan 8.250 nan 0.000 0.452 334 E N 0.502 120.627 120.200 -0.125 0.000 2.072 334 E HA -0.163 4.187 4.350 -0.000 0.000 0.190 334 E C 1.982 178.558 176.600 -0.041 0.000 0.982 334 E CA 0.753 57.096 56.400 -0.094 0.000 0.803 334 E CB -0.374 29.314 29.700 -0.021 0.000 0.755 334 E HN 0.329 nan 8.360 nan 0.000 0.453 335 Q N 0.733 120.562 119.800 0.050 0.000 2.135 335 Q HA -0.024 4.316 4.340 -0.000 0.000 0.204 335 Q C 2.487 178.518 176.000 0.052 0.000 0.981 335 Q CA 0.896 56.744 55.803 0.076 0.000 0.856 335 Q CB -0.279 28.573 28.738 0.190 0.000 0.902 335 Q HN 0.366 nan 8.270 nan 0.000 0.425 336 L N 0.073 121.349 121.223 0.087 0.000 2.240 336 L HA -0.125 4.215 4.340 -0.000 0.000 0.211 336 L C 2.519 179.419 176.870 0.050 0.000 1.106 336 L CA 0.593 55.473 54.840 0.066 0.000 0.793 336 L CB -0.215 41.937 42.059 0.155 0.000 0.927 336 L HN 0.282 nan 8.230 nan 0.000 0.446 337 Q N 0.211 119.968 119.800 -0.071 0.000 2.050 337 Q HA -0.242 4.098 4.340 -0.000 0.000 0.202 337 Q C 1.512 177.514 176.000 0.004 0.000 0.980 337 Q CA 2.022 57.795 55.803 -0.051 0.000 0.840 337 Q CB 0.053 28.683 28.738 -0.179 0.000 0.898 337 Q HN 0.567 nan 8.270 nan 0.000 0.424 338 D N -1.035 119.355 120.400 -0.015 0.000 2.339 338 D HA -0.082 4.558 4.640 -0.000 0.000 0.217 338 D C 1.431 177.715 176.300 -0.027 0.000 1.050 338 D CA 0.311 54.317 54.000 0.010 0.000 0.856 338 D CB -0.022 40.803 40.800 0.043 0.000 0.922 338 D HN 0.291 nan 8.370 nan 0.000 0.518 339 M N -0.284 119.243 119.600 -0.121 0.000 2.558 339 M HA 0.151 4.631 4.480 -0.000 0.000 0.255 339 M C 1.207 177.454 176.300 -0.088 0.000 1.113 339 M CA 1.242 56.403 55.300 -0.232 0.000 1.097 339 M CB 0.469 32.896 32.600 -0.287 0.000 1.426 339 M HN 0.391 nan 8.290 nan 0.000 0.488 340 G N 0.005 108.795 108.800 -0.016 0.000 2.421 340 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.188 340 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.188 340 G C 0.041 174.984 174.900 0.071 0.000 1.001 340 G CA -0.689 44.421 45.100 0.018 0.000 0.693 340 G HN 0.256 nan 8.290 nan 0.000 0.479 341 L N 2.010 123.317 121.223 0.140 0.000 2.454 341 L HA 0.328 4.668 4.340 -0.000 0.000 0.284 341 L C 1.397 178.497 176.870 0.384 0.000 1.139 341 L CA -0.336 54.660 54.840 0.260 0.000 0.911 341 L CB 0.802 43.121 42.059 0.433 0.000 1.262 341 L HN 0.120 nan 8.230 nan 0.000 0.453 342 E N 1.220 121.556 120.200 0.227 0.000 2.099 342 E HA -0.095 4.255 4.350 -0.000 0.000 0.191 342 E C 1.077 177.822 176.600 0.241 0.000 0.962 342 E CA 0.796 57.327 56.400 0.219 0.000 0.826 342 E CB 0.405 30.172 29.700 0.112 0.000 0.788 342 E HN 0.633 nan 8.360 nan 0.000 0.461 343 D N 1.101 121.579 120.400 0.130 0.000 2.078 343 D HA -0.146 4.494 4.640 -0.000 0.000 0.193 343 D C 2.081 178.394 176.300 0.022 0.000 0.990 343 D CA 0.571 54.610 54.000 0.064 0.000 0.827 343 D CB -0.458 40.356 40.800 0.022 0.000 0.975 343 D HN 0.020 nan 8.370 nan 0.000 0.451 344 L N -0.305 120.854 121.223 -0.107 0.000 2.211 344 L HA -0.216 4.124 4.340 -0.000 0.000 0.216 344 L C 1.326 178.030 176.870 -0.276 0.000 1.092 344 L CA 1.476 56.137 54.840 -0.298 0.000 0.767 344 L CB -0.229 41.498 42.059 -0.554 0.000 0.894 344 L HN 0.009 nan 8.230 nan 0.000 0.437 345 F N -1.855 118.171 119.950 0.127 0.000 2.695 345 F HA 0.249 4.776 4.527 -0.000 0.000 0.303 345 F C 1.143 177.047 175.800 0.172 0.000 1.091 345 F CA 0.040 58.145 58.000 0.177 0.000 1.300 345 F CB -0.273 38.806 39.000 0.132 0.000 1.071 345 F HN 0.090 nan 8.300 nan 0.000 0.578 346 S N 1.261 117.065 115.700 0.173 0.000 2.473 346 S HA 0.367 4.837 4.470 -0.000 0.000 0.307 346 S C -1.714 172.734 174.600 -0.253 0.000 1.094 346 S CA -1.561 56.596 58.200 -0.072 0.000 1.070 346 S CB 2.180 65.369 63.200 -0.018 0.000 1.019 346 S HN -0.149 nan 8.310 nan 0.000 0.480 347 P HA -0.199 nan 4.420 nan 0.000 0.219 347 P C 1.136 178.310 177.300 -0.210 0.000 1.146 347 P CA 1.183 63.958 63.100 -0.543 0.000 0.808 347 P CB 0.187 31.427 31.700 -0.767 0.000 0.779 348 E N 1.535 121.631 120.200 -0.173 0.000 2.106 348 E HA -0.161 4.189 4.350 -0.000 0.000 0.192 348 E C 1.213 177.778 176.600 -0.058 0.000 0.984 348 E CA 1.204 57.547 56.400 -0.096 0.000 0.806 348 E CB 0.033 29.686 29.700 -0.078 0.000 0.750 348 E HN 0.372 nan 8.360 nan 0.000 0.458 349 K N 0.120 120.492 120.400 -0.047 0.000 2.644 349 K HA 0.210 4.530 4.320 -0.000 0.000 0.198 349 K C -0.222 176.370 176.600 -0.013 0.000 1.113 349 K CA -0.245 56.028 56.287 -0.022 0.000 1.073 349 K CB 0.991 33.484 32.500 -0.011 0.000 0.811 349 K HN -0.090 nan 8.250 nan 0.000 0.508 350 S N 1.177 116.870 115.700 -0.013 0.000 2.617 350 S HA 0.408 4.878 4.470 -0.000 0.000 0.269 350 S C 0.005 174.594 174.600 -0.018 0.000 1.292 350 S CA -0.883 57.313 58.200 -0.008 0.000 1.010 350 S CB 1.118 64.335 63.200 0.028 0.000 0.944 350 S HN 0.256 nan 8.310 nan 0.000 0.536 351 R N 1.189 121.669 120.500 -0.033 0.000 2.607 351 R HA 0.275 4.615 4.340 -0.000 0.000 0.278 351 R C -1.215 175.049 176.300 -0.060 0.000 1.637 351 R CA -0.106 55.971 56.100 -0.037 0.000 1.325 351 R CB 0.581 30.865 30.300 -0.027 0.000 1.211 351 R HN 0.658 nan 8.270 nan 0.000 0.565 352 L N 3.908 125.086 121.223 -0.075 0.000 3.029 352 L HA 0.231 4.571 4.340 -0.000 0.000 0.231 352 L C -1.161 175.635 176.870 -0.123 0.000 1.327 352 L CA -1.197 53.572 54.840 -0.118 0.000 1.166 352 L CB 0.518 42.491 42.059 -0.143 0.000 1.532 352 L HN 0.132 nan 8.230 nan 0.000 0.473 353 P HA -0.130 nan 4.420 nan 0.000 0.214 353 P C 1.470 178.709 177.300 -0.102 0.000 1.162 353 P CA 1.237 64.287 63.100 -0.084 0.000 0.874 353 P CB 0.224 31.889 31.700 -0.059 0.000 0.784 354 G N 0.684 109.417 108.800 -0.111 0.000 2.653 354 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.212 354 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.212 354 G C 1.524 176.309 174.900 -0.193 0.000 1.138 354 G CA 0.289 45.325 45.100 -0.107 0.000 0.782 354 G HN 0.473 nan 8.290 nan 0.000 0.535 355 I N -1.437 118.942 120.570 -0.319 0.000 3.030 355 I HA 0.254 4.424 4.170 -0.000 0.000 0.270 355 I C 0.772 176.878 176.117 -0.018 0.000 1.211 355 I CA -0.050 60.965 61.300 -0.475 0.000 1.479 355 I CB -0.096 37.494 38.000 -0.684 0.000 1.105 355 I HN -0.022 nan 8.210 nan 0.000 0.447 356 V N -0.333 119.551 119.914 -0.051 0.000 3.103 356 V HA 0.917 5.037 4.120 -0.000 0.000 0.318 356 V C -0.192 175.863 176.094 -0.065 0.000 1.114 356 V CA -0.438 61.821 62.300 -0.069 0.000 1.020 356 V CB 1.397 33.121 31.823 -0.164 0.000 1.085 356 V HN 0.181 nan 8.190 nan 0.000 0.446 357 A N 0.879 123.645 122.820 -0.090 0.000 2.466 357 A HA 0.875 5.195 4.320 -0.000 0.000 0.291 357 A C -0.102 177.426 177.584 -0.094 0.000 1.234 357 A CA 0.266 52.264 52.037 -0.066 0.000 0.752 357 A CB 1.056 20.030 19.000 -0.043 0.000 1.153 357 A HN 1.268 nan 8.150 nan 0.000 0.458 358 E N 1.964 122.116 120.200 -0.081 0.000 2.094 358 E HA 0.200 4.550 4.350 -0.000 0.000 0.254 358 E C 0.656 177.219 176.600 -0.061 0.000 1.086 358 E CA 1.339 57.691 56.400 -0.080 0.000 1.741 358 E CB -0.488 29.148 29.700 -0.106 0.000 3.572 358 E HN 1.011 nan 8.360 nan 0.000 0.995 359 G N -0.378 108.384 108.800 -0.062 0.000 3.100 359 G HA2 0.536 4.496 3.960 -0.000 0.000 0.174 359 G HA3 0.536 4.496 3.960 -0.000 0.000 0.174 359 G C -0.115 174.755 174.900 -0.050 0.000 1.136 359 G CA 0.282 45.352 45.100 -0.050 0.000 0.881 359 G HN 0.137 nan 8.290 nan 0.000 0.616 360 R N -0.767 119.706 120.500 -0.046 0.000 4.019 360 R HA 0.264 4.604 4.340 -0.000 0.000 0.140 360 R C 0.423 176.696 176.300 -0.046 0.000 1.486 360 R CA 0.840 56.913 56.100 -0.045 0.000 1.119 360 R CB -0.884 29.395 30.300 -0.036 0.000 1.357 360 R HN 0.600 nan 8.270 nan 0.000 0.449 361 S N 1.039 116.717 115.700 -0.036 0.000 2.420 361 S HA 0.556 5.026 4.470 -0.000 0.000 0.313 361 S C -0.605 173.983 174.600 -0.021 0.000 1.079 361 S CA -0.134 58.048 58.200 -0.030 0.000 1.104 361 S CB 1.741 64.925 63.200 -0.026 0.000 0.969 361 S HN 0.501 nan 8.310 nan 0.000 0.471 362 D N 1.386 121.781 120.400 -0.007 0.000 1.664 362 D HA 0.014 4.654 4.640 -0.000 0.000 0.621 362 D C -0.656 175.699 176.300 0.092 0.000 0.872 362 D CA -0.132 53.878 54.000 0.017 0.000 1.120 362 D CB -0.290 40.505 40.800 -0.007 0.000 1.606 362 D HN 0.405 nan 8.370 nan 0.000 0.511 363 L N 2.901 124.150 121.223 0.043 0.000 2.513 363 L HA 0.263 4.603 4.340 -0.000 0.000 0.272 363 L C -0.198 176.730 176.870 0.096 0.000 1.187 363 L CA 0.425 55.279 54.840 0.024 0.000 0.895 363 L CB -0.655 41.364 42.059 -0.067 0.000 1.147 363 L HN 0.298 nan 8.230 nan 0.000 0.483 364 Y N 1.186 121.441 120.300 -0.076 0.000 2.715 364 Y HA 0.743 5.293 4.550 -0.000 0.000 0.331 364 Y C -0.748 175.109 175.900 -0.072 0.000 1.197 364 Y CA -1.724 56.329 58.100 -0.079 0.000 1.079 364 Y CB 0.900 39.338 38.460 -0.037 0.000 1.298 364 Y HN 0.011 nan 8.280 nan 0.000 0.477 365 V N 2.770 122.648 119.914 -0.059 0.000 2.334 365 V HA 0.182 4.302 4.120 -0.000 0.000 0.267 365 V C 0.777 176.938 176.094 0.111 0.000 1.040 365 V CA 0.444 62.692 62.300 -0.087 0.000 0.866 365 V CB 0.253 31.998 31.823 -0.131 0.000 1.019 365 V HN 1.014 nan 8.190 nan 0.000 0.468 366 S N 2.905 118.552 115.700 -0.088 0.000 2.371 366 S HA 0.049 4.519 4.470 -0.000 0.000 0.224 366 S C 0.465 175.121 174.600 0.094 0.000 1.029 366 S CA 0.497 58.733 58.200 0.059 0.000 0.978 366 S CB 0.201 63.396 63.200 -0.010 0.000 0.833 366 S HN 0.688 nan 8.310 nan 0.000 0.466 367 D N -0.345 120.049 120.400 -0.010 0.000 2.609 367 D HA 0.697 5.337 4.640 -0.000 0.000 0.239 367 D C -1.742 174.360 176.300 -0.330 0.000 1.229 367 D CA -0.220 53.640 54.000 -0.232 0.000 0.808 367 D CB 2.258 42.841 40.800 -0.362 0.000 1.448 367 D HN 0.368 nan 8.370 nan 0.000 0.433 368 A N 1.624 124.108 122.820 -0.560 0.000 2.547 368 A HA 0.600 4.920 4.320 -0.000 0.000 0.279 368 A C -1.530 175.808 177.584 -0.411 0.000 1.088 368 A CA -0.566 51.315 52.037 -0.261 0.000 0.796 368 A CB 0.178 19.282 19.000 0.173 0.000 1.308 368 A HN 0.276 nan 8.150 nan 0.000 0.415 369 F N 0.257 120.258 119.950 0.085 0.000 2.518 369 F HA 0.781 5.308 4.527 -0.000 0.000 0.338 369 F C 0.547 176.342 175.800 -0.009 0.000 1.065 369 F CA -0.344 57.672 58.000 0.026 0.000 1.012 369 F CB 1.529 40.553 39.000 0.038 0.000 1.297 369 F HN 0.702 nan 8.300 nan 0.000 0.489 370 H N 0.062 119.141 119.070 0.015 0.000 2.974 370 H HA 0.510 5.066 4.556 -0.000 0.000 0.366 370 H C -1.436 173.938 175.328 0.077 0.000 1.155 370 H CA -0.863 55.136 56.048 -0.083 0.000 1.186 370 H CB 1.861 31.316 29.762 -0.512 0.000 1.799 370 H HN 0.590 nan 8.280 nan 0.000 0.541 371 K N 2.671 123.229 120.400 0.263 0.000 2.502 371 K HA 0.840 5.160 4.320 -0.000 0.000 0.257 371 K C -1.831 175.038 176.600 0.448 0.000 0.938 371 K CA -0.611 55.895 56.287 0.366 0.000 0.819 371 K CB 2.146 34.782 32.500 0.228 0.000 1.333 371 K HN 0.596 nan 8.250 nan 0.000 0.434 372 A N 1.883 125.011 122.820 0.513 0.000 2.564 372 A HA 0.866 5.186 4.320 -0.000 0.000 0.288 372 A C -2.001 175.983 177.584 0.667 0.000 1.164 372 A CA -0.629 51.763 52.037 0.592 0.000 0.712 372 A CB 1.181 20.519 19.000 0.563 0.000 1.303 372 A HN 0.622 nan 8.150 nan 0.000 0.418 373 F N -0.309 119.976 119.950 0.558 0.000 2.635 373 F HA 0.634 5.161 4.527 -0.000 0.000 0.314 373 F C -2.216 173.661 175.800 0.128 0.000 1.119 373 F CA -0.666 57.510 58.000 0.294 0.000 1.000 373 F CB 1.677 40.785 39.000 0.180 0.000 1.278 373 F HN 0.686 nan 8.300 nan 0.000 0.446 374 L N 4.780 125.553 121.223 -0.750 0.000 2.422 374 L HA 0.670 5.010 4.340 -0.000 0.000 0.264 374 L C -1.641 174.609 176.870 -1.034 0.000 0.984 374 L CA -0.319 53.968 54.840 -0.922 0.000 0.819 374 L CB 2.134 43.375 42.059 -1.362 0.000 1.330 374 L HN 0.740 nan 8.230 nan 0.000 0.410 375 E N 3.379 123.145 120.200 -0.723 0.000 2.317 375 E HA 0.561 4.911 4.350 -0.000 0.000 0.270 375 E C -1.988 174.351 176.600 -0.435 0.000 0.899 375 E CA -0.499 55.548 56.400 -0.590 0.000 0.814 375 E CB 1.780 31.299 29.700 -0.301 0.000 1.296 375 E HN 0.495 nan 8.360 nan 0.000 0.404 376 V N 4.071 123.641 119.914 -0.575 0.000 2.547 376 V HA 0.609 4.729 4.120 -0.000 0.000 0.299 376 V C -0.081 175.984 176.094 -0.048 0.000 1.040 376 V CA -0.540 61.617 62.300 -0.237 0.000 0.913 376 V CB 1.702 33.353 31.823 -0.287 0.000 0.992 376 V HN 0.815 nan 8.190 nan 0.000 0.449 377 N N 1.893 120.724 118.700 0.218 0.000 3.046 377 N HA 0.248 4.988 4.740 -0.000 0.000 0.243 377 N C 0.389 176.170 175.510 0.452 0.000 1.452 377 N CA -0.493 52.697 53.050 0.234 0.000 0.882 377 N CB 1.325 39.862 38.487 0.083 0.000 1.425 377 N HN 0.341 nan 8.380 nan 0.000 0.517 378 E N 0.209 120.634 120.200 0.374 0.000 2.086 378 E HA -0.217 4.133 4.350 -0.000 0.000 0.205 378 E C 0.766 177.596 176.600 0.384 0.000 1.027 378 E CA 2.260 58.907 56.400 0.412 0.000 0.830 378 E CB -0.063 29.793 29.700 0.259 0.000 0.751 378 E HN 0.643 nan 8.360 nan 0.000 0.456 379 E N -0.948 119.400 120.200 0.246 0.000 2.107 379 E HA 0.188 4.538 4.350 -0.000 0.000 0.191 379 E C 0.617 177.194 176.600 -0.038 0.000 0.982 379 E CA 1.047 57.530 56.400 0.139 0.000 0.809 379 E CB 0.262 29.994 29.700 0.053 0.000 0.756 379 E HN 0.263 nan 8.360 nan 0.000 0.459 380 G N -1.421 107.233 108.800 -0.243 0.000 2.328 380 G HA2 0.245 4.205 3.960 -0.000 0.000 0.299 380 G HA3 0.245 4.205 3.960 -0.000 0.000 0.299 380 G C -1.052 173.500 174.900 -0.580 0.000 1.435 380 G CA -0.684 43.803 45.100 -1.022 0.000 0.865 380 G HN -0.030 nan 8.290 nan 0.000 0.601 381 S N 0.006 115.365 115.700 -0.567 0.000 2.562 381 S HA 0.596 5.066 4.470 -0.000 0.000 0.275 381 S C -0.199 174.173 174.600 -0.380 0.000 1.281 381 S CA -0.493 57.551 58.200 -0.259 0.000 1.045 381 S CB 1.784 65.000 63.200 0.027 0.000 0.962 381 S HN 0.651 nan 8.310 nan 0.000 0.503 382 E N 1.181 121.202 120.200 -0.299 0.000 2.216 382 E HA 0.595 4.945 4.350 -0.000 0.000 0.260 382 E C -1.337 175.155 176.600 -0.181 0.000 0.880 382 E CA -0.661 55.535 56.400 -0.341 0.000 0.765 382 E CB 1.333 30.911 29.700 -0.203 0.000 1.174 382 E HN 0.714 nan 8.360 nan 0.000 0.417 383 A N 2.746 125.419 122.820 -0.245 0.000 2.469 383 A HA 0.961 5.281 4.320 -0.000 0.000 0.299 383 A C -1.345 176.230 177.584 -0.015 0.000 1.098 383 A CA -0.123 51.822 52.037 -0.153 0.000 0.737 383 A CB 1.885 20.500 19.000 -0.643 0.000 1.312 383 A HN 0.663 nan 8.150 nan 0.000 0.414 384 A N -0.472 122.562 122.820 0.357 0.000 2.593 384 A HA 1.034 5.354 4.320 -0.000 0.000 0.290 384 A C -0.491 177.489 177.584 0.659 0.000 1.126 384 A CA -0.065 52.267 52.037 0.491 0.000 0.695 384 A CB 1.292 20.515 19.000 0.372 0.000 1.290 384 A HN 2.669 nan 8.150 nan 0.000 0.414 385 A N -0.433 122.682 122.820 0.492 0.000 2.609 385 A HA 0.939 5.259 4.320 -0.000 0.000 0.291 385 A C -0.597 177.074 177.584 0.145 0.000 1.096 385 A CA 0.114 52.358 52.037 0.346 0.000 0.684 385 A CB 1.303 20.480 19.000 0.294 0.000 1.282 385 A HN 2.177 nan 8.150 nan 0.000 0.412 386 S N -0.908 114.762 115.700 -0.051 0.000 2.537 386 S HA 0.799 5.269 4.470 -0.000 0.000 0.271 386 S C -1.124 173.243 174.600 -0.388 0.000 1.148 386 S CA -0.108 58.029 58.200 -0.105 0.000 0.868 386 S CB 1.787 64.996 63.200 0.015 0.000 1.115 386 S HN 1.141 nan 8.310 nan 0.000 0.461 387 T N 1.969 116.419 114.554 -0.172 0.000 2.900 387 T HA 0.716 5.066 4.350 -0.000 0.000 0.295 387 T C -1.371 173.352 174.700 0.039 0.000 1.044 387 T CA -0.551 61.501 62.100 -0.081 0.000 0.995 387 T CB 1.610 70.509 68.868 0.050 0.000 1.072 387 T HN 0.962 nan 8.240 nan 0.000 0.473 388 V N 4.138 124.113 119.914 0.102 0.000 2.610 388 V HA 0.602 4.722 4.120 -0.000 0.000 0.298 388 V C -1.592 174.560 176.094 0.096 0.000 1.067 388 V CA -0.713 61.664 62.300 0.128 0.000 0.894 388 V CB 0.861 32.806 31.823 0.203 0.000 1.015 388 V HN 0.889 nan 8.190 nan 0.000 0.432 389 I N 6.827 127.389 120.570 -0.014 0.000 2.312 389 I HA 0.439 4.609 4.170 -0.000 0.000 0.290 389 I C 0.385 176.467 176.117 -0.059 0.000 1.008 389 I CA -0.285 60.950 61.300 -0.108 0.000 1.226 389 I CB 2.083 39.902 38.000 -0.302 0.000 1.371 389 I HN 0.807 nan 8.210 nan 0.000 0.468 390 S N 7.254 122.941 115.700 -0.021 0.000 2.404 390 S HA 0.540 5.010 4.470 -0.000 0.000 0.309 390 S C -0.248 174.281 174.600 -0.117 0.000 1.076 390 S CA -0.749 57.448 58.200 -0.004 0.000 1.095 390 S CB 0.468 63.727 63.200 0.098 0.000 0.972 390 S HN 0.411 nan 8.310 nan 0.000 0.484 391 I N 2.932 123.403 120.570 -0.165 0.000 2.575 391 I HA 0.514 4.684 4.170 -0.000 0.000 0.285 391 I C 0.620 176.577 176.117 -0.266 0.000 1.085 391 I CA -0.119 61.036 61.300 -0.242 0.000 1.403 391 I CB 0.981 38.856 38.000 -0.208 0.000 1.409 391 I HN 0.870 nan 8.210 nan 0.000 0.557 392 A N 4.246 126.813 122.820 -0.422 0.000 2.566 392 A HA 0.800 5.120 4.320 -0.000 0.000 0.292 392 A C -0.311 177.071 177.584 -0.338 0.000 1.112 392 A CA -0.458 51.379 52.037 -0.333 0.000 0.707 392 A CB 1.247 20.056 19.000 -0.318 0.000 1.302 392 A HN 0.750 nan 8.150 nan 0.000 0.409 393 G N -0.722 108.021 108.800 -0.094 0.000 2.528 393 G HA2 0.466 4.426 3.960 -0.000 0.000 0.289 393 G HA3 0.466 4.426 3.960 -0.000 0.000 0.289 393 G C 0.704 175.724 174.900 0.200 0.000 1.192 393 G CA -0.265 44.855 45.100 0.035 0.000 0.921 393 G HN 0.915 nan 8.290 nan 0.000 0.512 394 R N -0.272 120.352 120.500 0.206 0.000 2.148 394 R HA -0.017 4.323 4.340 -0.000 0.000 0.223 394 R C 1.303 177.514 176.300 -0.150 0.000 1.088 394 R CA 0.927 57.067 56.100 0.067 0.000 0.985 394 R CB -0.841 29.425 30.300 -0.057 0.000 0.880 394 R HN 0.436 nan 8.270 nan 0.000 0.451 395 S N 0.579 116.186 115.700 -0.156 0.000 2.576 395 S HA 0.491 4.961 4.470 -0.000 0.000 0.272 395 S C 0.485 174.753 174.600 -0.553 0.000 1.352 395 S CA -0.097 57.968 58.200 -0.224 0.000 1.021 395 S CB 1.188 64.338 63.200 -0.084 0.000 0.887 395 S HN 0.504 nan 8.310 nan 0.000 0.542 396 L N -0.340 120.624 121.223 -0.433 0.000 0.000 396 L HA 0.881 5.221 4.340 -0.000 0.000 0.000 396 L C -0.769 nan 176.870 nan 0.000 0.000 396 L CA -0.781 nan 54.840 nan 0.000 0.000 396 L CB 0.339 nan 42.059 nan 0.000 0.000 396 L HN 1.093 nan 8.230 nan 0.000 0.000 397 N N -1.592 117.139 118.700 0.051 0.000 0.000 397 N HA 0.238 4.978 4.740 -0.000 0.000 0.000 397 N C 0.190 175.721 175.510 0.035 0.000 0.000 397 N CA 0.350 53.427 53.050 0.045 0.000 0.000 397 N CB 1.642 40.142 38.487 0.022 0.000 0.000 397 N HN 0.895 nan 8.380 nan 0.000 0.000 398 S N 0.358 116.075 115.700 0.029 0.000 2.660 398 S HA -0.085 4.385 4.470 -0.000 0.000 0.228 398 S C 1.111 175.701 174.600 -0.016 0.000 0.966 398 S CA 0.658 58.859 58.200 0.001 0.000 0.940 398 S CB -0.307 62.889 63.200 -0.006 0.000 0.773 398 S HN 0.652 nan 8.310 nan 0.000 0.535 399 D N 2.008 122.403 120.400 -0.008 0.000 2.218 399 D HA -0.141 4.499 4.640 -0.000 0.000 0.204 399 D C 0.786 177.075 176.300 -0.018 0.000 0.976 399 D CA 0.940 54.933 54.000 -0.011 0.000 0.853 399 D CB 0.158 40.955 40.800 -0.005 0.000 0.939 399 D HN 0.116 nan 8.370 nan 0.000 0.481 400 R N 0.173 120.660 120.500 -0.022 0.000 2.531 400 R HA 0.176 4.516 4.340 -0.000 0.000 0.273 400 R C 1.964 178.223 176.300 -0.069 0.000 1.070 400 R CA 0.092 56.169 56.100 -0.039 0.000 1.112 400 R CB -0.001 30.278 30.300 -0.035 0.000 1.049 400 R HN 0.047 nan 8.270 nan 0.000 0.508 401 V N -1.475 118.369 119.914 -0.117 0.000 2.527 401 V HA -0.214 3.906 4.120 -0.000 0.000 0.255 401 V C 0.275 176.262 176.094 -0.178 0.000 1.081 401 V CA 1.425 63.621 62.300 -0.174 0.000 1.092 401 V CB -1.495 30.108 31.823 -0.367 0.000 0.673 401 V HN 0.835 nan 8.190 nan 0.000 0.470 402 T N 1.203 115.662 114.554 -0.157 0.000 1.972 402 T HA -0.271 4.079 4.350 -0.000 0.000 0.577 402 T C -0.588 173.997 174.700 -0.192 0.000 0.896 402 T CA 1.052 63.062 62.100 -0.149 0.000 3.068 402 T CB -1.711 67.070 68.868 -0.145 0.000 1.801 402 T HN 0.704 nan 8.240 nan 0.000 0.401 403 F N 3.807 123.601 119.950 -0.259 0.000 2.509 403 F HA 0.378 4.905 4.527 -0.000 0.000 0.350 403 F C 0.754 176.396 175.800 -0.263 0.000 1.220 403 F CA -0.419 57.437 58.000 -0.240 0.000 1.151 403 F CB 0.312 39.159 39.000 -0.256 0.000 1.379 403 F HN 0.341 nan 8.300 nan 0.000 0.610 404 K N 5.166 125.146 120.400 -0.700 0.000 2.389 404 K HA 0.627 4.947 4.320 -0.000 0.000 0.261 404 K C -0.887 175.362 176.600 -0.585 0.000 1.014 404 K CA -0.608 55.336 56.287 -0.572 0.000 0.920 404 K CB 0.908 33.062 32.500 -0.577 0.000 1.149 404 K HN 0.579 nan 8.250 nan 0.000 0.444 405 A N 5.153 127.704 122.820 -0.449 0.000 2.774 405 A HA 0.219 4.538 4.320 -0.000 0.000 0.326 405 A C -0.774 176.742 177.584 -0.113 0.000 1.478 405 A CA -0.747 51.069 52.037 -0.368 0.000 1.099 405 A CB -0.261 18.451 19.000 -0.479 0.000 1.148 405 A HN 0.802 nan 8.150 nan 0.000 0.519 406 N N 2.804 121.361 118.700 -0.239 0.000 2.727 406 N HA 0.365 5.105 4.740 -0.000 0.000 0.252 406 N C -0.779 174.286 175.510 -0.742 0.000 1.283 406 N CA -0.583 52.210 53.050 -0.429 0.000 0.782 406 N CB 0.730 39.163 38.487 -0.091 0.000 1.199 406 N HN 0.714 nan 8.380 nan 0.000 0.520 407 R N -1.303 118.475 120.500 -1.205 0.000 5.088 407 R HA 0.150 4.490 4.340 -0.000 0.000 0.249 407 R C -3.686 172.517 176.300 -0.162 0.000 0.938 407 R CA -0.727 54.929 56.100 -0.740 0.000 1.284 407 R CB -0.829 29.295 30.300 -0.294 0.000 1.230 407 R HN 0.031 nan 8.270 nan 0.000 0.675 408 P HA 0.033 nan 4.420 nan 0.000 0.261 408 P C -0.845 176.605 177.300 0.250 0.000 1.173 408 P CA 0.418 63.700 63.100 0.303 0.000 0.760 408 P CB -0.039 31.760 31.700 0.165 0.000 0.783 409 F N 2.000 122.029 119.950 0.132 0.000 2.579 409 F HA 0.681 5.208 4.527 -0.000 0.000 0.324 409 F C -1.098 174.762 175.800 0.099 0.000 1.058 409 F CA -1.938 56.128 58.000 0.111 0.000 0.944 409 F CB 0.540 39.633 39.000 0.155 0.000 1.245 409 F HN -0.041 nan 8.300 nan 0.000 0.477 410 L N 2.658 124.029 121.223 0.246 0.000 2.305 410 L HA 0.642 4.982 4.340 -0.000 0.000 0.281 410 L C -0.378 176.636 176.870 0.241 0.000 1.085 410 L CA -0.455 54.471 54.840 0.143 0.000 0.813 410 L CB 1.293 43.431 42.059 0.131 0.000 1.157 410 L HN 0.736 nan 8.230 nan 0.000 0.436 411 V N 5.709 125.732 119.914 0.181 0.000 2.881 411 V HA 0.636 4.756 4.120 -0.000 0.000 0.316 411 V C -0.976 175.266 176.094 0.246 0.000 1.070 411 V CA -0.625 61.855 62.300 0.300 0.000 0.976 411 V CB 2.142 34.161 31.823 0.328 0.000 1.038 411 V HN 0.641 nan 8.190 nan 0.000 0.446 412 L N 5.495 126.895 121.223 0.294 0.000 2.422 412 L HA 0.499 4.839 4.340 -0.000 0.000 0.263 412 L C -0.403 176.654 176.870 0.312 0.000 1.372 412 L CA 0.241 55.230 54.840 0.249 0.000 0.857 412 L CB 0.992 43.178 42.059 0.212 0.000 1.024 412 L HN 0.533 nan 8.230 nan 0.000 0.507 413 I N 2.091 122.880 120.570 0.365 0.000 2.692 413 I HA 0.274 4.444 4.170 -0.000 0.000 0.284 413 I C 0.487 176.733 176.117 0.215 0.000 1.159 413 I CA 0.109 61.599 61.300 0.317 0.000 1.423 413 I CB 0.445 38.590 38.000 0.241 0.000 1.380 413 I HN 0.565 nan 8.210 nan 0.000 0.580 414 R N 3.721 124.310 120.500 0.149 0.000 2.733 414 R HA 0.505 4.845 4.340 -0.000 0.000 0.272 414 R C -1.377 174.924 176.300 0.002 0.000 1.029 414 R CA -0.942 55.181 56.100 0.038 0.000 0.888 414 R CB 1.144 31.450 30.300 0.009 0.000 1.251 414 R HN 0.346 nan 8.270 nan 0.000 0.464 415 E N 1.394 121.552 120.200 -0.070 0.000 2.113 415 E HA 0.208 4.558 4.350 -0.000 0.000 0.273 415 E C 0.479 177.061 176.600 -0.031 0.000 0.924 415 E CA -0.481 55.889 56.400 -0.051 0.000 0.764 415 E CB 1.875 31.503 29.700 -0.119 0.000 1.104 415 E HN 0.565 nan 8.360 nan 0.000 0.406 416 V N 4.285 124.245 119.914 0.077 0.000 2.223 416 V HA -0.263 3.857 4.120 -0.000 0.000 0.244 416 V C 2.255 178.406 176.094 0.096 0.000 1.045 416 V CA 2.259 64.644 62.300 0.142 0.000 1.000 416 V CB -0.998 30.995 31.823 0.283 0.000 0.635 416 V HN 0.749 nan 8.190 nan 0.000 0.445 417 A N -0.521 122.359 122.820 0.100 0.000 2.076 417 A HA -0.078 4.242 4.320 -0.000 0.000 0.220 417 A C 1.835 179.505 177.584 0.144 0.000 1.160 417 A CA 1.479 53.582 52.037 0.109 0.000 0.653 417 A CB -0.341 18.705 19.000 0.077 0.000 0.801 417 A HN 0.455 nan 8.150 nan 0.000 0.455 418 L N 0.125 121.394 121.223 0.078 0.000 3.122 418 L HA 0.083 4.423 4.340 -0.000 0.000 0.274 418 L C 0.488 177.290 176.870 -0.114 0.000 1.222 418 L CA 0.627 55.509 54.840 0.070 0.000 1.028 418 L CB -1.128 40.923 42.059 -0.014 0.000 1.386 418 L HN 0.788 nan 8.230 nan 0.000 0.578 419 N N -0.132 118.489 118.700 -0.132 0.000 2.666 419 N HA -0.225 4.515 4.740 -0.000 0.000 0.249 419 N C -0.224 175.094 175.510 -0.319 0.000 1.063 419 N CA 0.662 53.535 53.050 -0.296 0.000 0.750 419 N CB -1.921 36.362 38.487 -0.341 0.000 0.992 419 N HN 0.244 nan 8.380 nan 0.000 0.542 420 T N 1.953 116.365 114.554 -0.237 0.000 2.769 420 T HA 0.313 4.663 4.350 -0.000 0.000 0.293 420 T C 1.115 175.707 174.700 -0.180 0.000 0.931 420 T CA -0.380 61.598 62.100 -0.202 0.000 1.139 420 T CB 0.689 69.451 68.868 -0.176 0.000 0.881 420 T HN 0.208 nan 8.240 nan 0.000 0.532 421 I N 4.841 125.318 120.570 -0.156 0.000 2.494 421 I HA 0.049 4.219 4.170 -0.000 0.000 0.289 421 I C 1.387 177.452 176.117 -0.087 0.000 1.106 421 I CA 0.025 61.261 61.300 -0.108 0.000 1.369 421 I CB 0.221 38.167 38.000 -0.091 0.000 1.410 421 I HN 0.710 nan 8.210 nan 0.000 0.523 422 I N 5.656 126.178 120.570 -0.080 0.000 2.296 422 I HA -0.004 4.166 4.170 -0.000 0.000 0.242 422 I C 0.237 176.199 176.117 -0.257 0.000 1.087 422 I CA 1.133 62.317 61.300 -0.194 0.000 1.393 422 I CB 0.033 37.904 38.000 -0.215 0.000 1.093 422 I HN 0.304 nan 8.210 nan 0.000 0.421 423 F N -0.218 119.733 119.950 0.001 0.000 2.588 423 F HA 0.642 5.169 4.527 -0.000 0.000 0.314 423 F C -0.226 175.585 175.800 0.018 0.000 1.069 423 F CA -0.708 57.286 58.000 -0.011 0.000 0.931 423 F CB 1.872 40.960 39.000 0.146 0.000 1.260 423 F HN -0.228 nan 8.300 nan 0.000 0.465 424 M N 0.963 120.633 119.600 0.116 0.000 2.520 424 M HA 0.802 5.282 4.480 -0.000 0.000 0.283 424 M C -1.179 175.179 176.300 0.097 0.000 1.237 424 M CA -0.197 55.138 55.300 0.059 0.000 0.885 424 M CB 2.701 35.214 32.600 -0.144 0.000 1.727 424 M HN 0.801 nan 8.290 nan 0.000 0.468 425 G N 2.103 110.995 108.800 0.153 0.000 2.559 425 G HA2 0.546 4.506 3.960 -0.000 0.000 0.291 425 G HA3 0.546 4.506 3.960 -0.000 0.000 0.291 425 G C -2.418 172.546 174.900 0.107 0.000 1.424 425 G CA -0.810 44.463 45.100 0.288 0.000 0.786 425 G HN 0.743 nan 8.290 nan 0.000 0.485 426 R N 0.067 120.642 120.500 0.124 0.000 2.451 426 R HA 0.577 4.917 4.340 -0.000 0.000 0.307 426 R C -1.738 174.484 176.300 -0.130 0.000 0.965 426 R CA -0.569 55.540 56.100 0.015 0.000 0.865 426 R CB 1.893 32.264 30.300 0.118 0.000 1.174 426 R HN 0.644 nan 8.270 nan 0.000 0.455 427 V N 4.814 124.478 119.914 -0.417 0.000 2.347 427 V HA 0.580 4.700 4.120 -0.000 0.000 0.280 427 V C 0.200 176.045 176.094 -0.414 0.000 1.021 427 V CA 0.220 62.195 62.300 -0.543 0.000 0.847 427 V CB 1.215 32.380 31.823 -1.097 0.000 0.990 427 V HN 0.946 nan 8.190 nan 0.000 0.444 428 A N 5.486 128.170 122.820 -0.227 0.000 2.229 428 A HA 0.381 4.701 4.320 -0.000 0.000 0.211 428 A C 0.812 178.349 177.584 -0.078 0.000 1.193 428 A CA 0.403 52.406 52.037 -0.056 0.000 0.879 428 A CB -0.097 18.891 19.000 -0.020 0.000 0.911 428 A HN 0.909 nan 8.150 nan 0.000 0.492 429 N N 0.011 118.545 118.700 -0.277 0.000 2.747 429 N HA 0.230 4.970 4.740 -0.000 0.000 0.262 429 N C -3.082 172.206 175.510 -0.370 0.000 1.261 429 N CA -0.941 51.933 53.050 -0.293 0.000 0.809 429 N CB 1.428 39.846 38.487 -0.115 0.000 1.450 429 N HN -0.187 nan 8.380 nan 0.000 0.560 430 P HA 0.267 nan 4.420 nan 0.000 0.256 430 P C -0.611 176.592 177.300 -0.161 0.000 1.384 430 P CA 0.055 62.940 63.100 -0.358 0.000 0.879 430 P CB -0.167 31.223 31.700 -0.517 0.000 1.403 431 c N -1.965 116.558 118.600 -0.129 0.000 2.595 431 c HA 0.527 5.097 4.570 -0.000 0.000 0.338 431 c C 1.047 175.117 174.090 -0.034 0.000 1.219 431 c CA -0.830 55.463 56.329 -0.060 0.000 1.811 431 c CB 1.601 44.081 42.510 -0.050 0.000 2.313 431 c HN 0.025 nan 8.230 nan 0.000 0.499 432 V N 1.314 121.220 119.914 -0.014 0.000 3.641 432 V HA 0.330 4.450 4.120 -0.000 0.000 0.286 432 V C -0.207 175.888 176.094 0.001 0.000 1.027 432 V CA 0.539 62.838 62.300 -0.001 0.000 1.032 432 V CB 1.601 33.428 31.823 0.007 0.000 1.238 432 V HN 1.119 nan 8.190 nan 0.000 0.439 433 D N 0.000 120.406 120.400 0.009 0.000 6.856 433 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 433 D CA 0.000 54.007 54.000 0.012 0.000 0.868 433 D CB 0.000 40.810 40.800 0.017 0.000 0.688 433 D HN 0.000 nan 8.370 nan 0.000 0.683