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 2fug_1_L DATA FIRST_RESID 1 DATA SEQUENCE MVRVKVNDRI VEVPPGTSVM DAVFHAGYDV PLFCSEKHLS PIGACRMCLV DATA SEQUENCE RIGLXXXXXX XXXXXXXXXX XXIQWQPKLA ASCVTAVADG MVVDTLSDVV DATA SEQUENCE REAQAGMVEF TLLNHPLDCP TCDKGGACEL QDRTVEYGLY EKXXXXXXXX DATA SEQUENCE LPVYTRFEFT RRHVDKHHPL SPFVILDRER CIHCKRCVRY FEEVPGDEVL DATA SEQUENCE DFIERGVHTF IGTMDFGLPS GFSGNITDIC PVGALLDLTA RFRARNWEME DATA SEQUENCE ETPTTCALCP VGCGITADTR SGELLRIRAR EVPEVNEIWI CDAGRFGHEW DATA SEQUENCE ADQNRLKTPL VRKEGRLVEA TWEEAFLALK EGLKEARGEE VGLYLAHDAT DATA SEQUENCE LEEGLLASEL AKALKTPHLD FQGRTAAPAS LFPPASLEDL LQADFALVLG DATA SEQUENCE DPTEEAPILH LRLSEFVRDL KPPHRYNHGT PFADLQIKER MPRRTDKMAL DATA SEQUENCE FAPYRAPLMK WAAIHEVHRP GEEREILLAL LGDKEGSEMV AKAKEAWEKA DATA SEQUENCE KNPVLILGAG VLQDTVAAER ARLLAERXXA KVLAMTPAAN ARGLEAMGVL DATA SEQUENCE PGAKGASWDE PGALYAYYGF VPPEEALKGK RFVVMHLSHL HPLAERYAHV DATA SEQUENCE VLPAPTFYEK RGHLVNLEGR VLPLSPAPIE NGEAEGALQV LALLAEALGV DATA SEQUENCE RPPFRLHLEA QKALKARKVP EAMGRLSFRL KELRPKERKG AFYLRPTMWK DATA SEQUENCE AHQAVGKAQE AARAXXWAHP ETARAEALPE GAQVAVETPF GRVEARVVHR DATA SEQUENCE EDVPKGHLYL SALGPAA 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.274 176.300 -0.044 0.000 1.140 1 M CA 0.000 55.255 55.300 -0.074 0.000 0.988 1 M CB 0.000 32.545 32.600 -0.092 0.000 1.302 2 V N 1.438 121.329 119.914 -0.038 0.000 3.170 2 V HA 0.517 4.637 4.120 -0.000 0.000 0.309 2 V C 0.038 176.130 176.094 -0.003 0.000 1.071 2 V CA -0.543 61.748 62.300 -0.015 0.000 1.063 2 V CB 1.441 33.261 31.823 -0.004 0.000 1.123 2 V HN 0.750 nan 8.190 nan 0.000 0.464 3 R N 1.145 121.648 120.500 0.005 0.000 2.388 3 R HA 0.649 4.989 4.340 -0.000 0.000 0.314 3 R C -1.706 174.605 176.300 0.019 0.000 0.959 3 R CA -0.442 55.665 56.100 0.012 0.000 0.851 3 R CB 1.716 32.019 30.300 0.005 0.000 1.168 3 R HN 0.472 nan 8.270 nan 0.000 0.472 4 V N 3.019 122.952 119.914 0.032 0.000 2.487 4 V HA 0.309 4.429 4.120 -0.000 0.000 0.298 4 V C -0.105 176.003 176.094 0.023 0.000 1.028 4 V CA -0.923 61.396 62.300 0.032 0.000 0.860 4 V CB 1.973 33.825 31.823 0.048 0.000 0.991 4 V HN 0.598 nan 8.190 nan 0.000 0.427 5 K N 3.765 124.171 120.400 0.010 0.000 2.268 5 K HA 0.469 4.789 4.320 -0.000 0.000 0.276 5 K C 0.303 176.887 176.600 -0.027 0.000 1.080 5 K CA -0.322 55.962 56.287 -0.005 0.000 0.910 5 K CB 1.504 34.002 32.500 -0.003 0.000 1.163 5 K HN 0.494 nan 8.250 nan 0.000 0.465 6 V N 4.292 124.161 119.914 -0.076 0.000 2.238 6 V HA -0.202 3.918 4.120 -0.000 0.000 0.235 6 V C 1.413 177.381 176.094 -0.211 0.000 1.037 6 V CA 1.579 63.776 62.300 -0.172 0.000 0.991 6 V CB -0.251 31.390 31.823 -0.304 0.000 0.638 6 V HN 0.845 nan 8.190 nan 0.000 0.457 7 N N -0.396 118.117 118.700 -0.311 0.000 3.039 7 N HA 0.052 4.792 4.740 -0.000 0.000 0.231 7 N C 1.004 176.464 175.510 -0.083 0.000 1.053 7 N CA 1.189 54.109 53.050 -0.218 0.000 1.191 7 N CB -0.044 38.230 38.487 -0.354 0.000 1.597 7 N HN 0.643 nan 8.380 nan 0.000 0.585 8 D N -0.862 119.505 120.400 -0.054 0.000 2.500 8 D HA 0.171 4.811 4.640 -0.000 0.000 0.217 8 D C 0.328 176.640 176.300 0.020 0.000 1.159 8 D CA -0.037 53.969 54.000 0.010 0.000 0.828 8 D CB 0.625 41.453 40.800 0.048 0.000 1.039 8 D HN -0.085 nan 8.370 nan 0.000 0.512 9 R N 0.593 121.095 120.500 0.005 0.000 2.393 9 R HA 0.592 4.932 4.340 -0.000 0.000 0.310 9 R C -0.713 175.589 176.300 0.002 0.000 0.968 9 R CA -0.606 55.513 56.100 0.032 0.000 0.867 9 R CB 1.294 31.658 30.300 0.106 0.000 1.124 9 R HN 0.048 nan 8.270 nan 0.000 0.450 10 I N 3.874 124.452 120.570 0.013 0.000 2.437 10 I HA 0.432 4.602 4.170 -0.000 0.000 0.298 10 I C -0.584 175.549 176.117 0.027 0.000 0.984 10 I CA -0.975 60.333 61.300 0.014 0.000 1.214 10 I CB 1.890 39.897 38.000 0.011 0.000 1.365 10 I HN 0.228 nan 8.210 nan 0.000 0.469 11 V N 3.913 123.853 119.914 0.044 0.000 2.777 11 V HA 0.275 4.394 4.120 -0.000 0.000 0.306 11 V C -0.611 175.537 176.094 0.091 0.000 1.112 11 V CA -0.955 61.392 62.300 0.078 0.000 0.917 11 V CB 1.959 33.860 31.823 0.130 0.000 1.018 11 V HN 0.565 nan 8.190 nan 0.000 0.426 12 E N 2.450 122.699 120.200 0.082 0.000 2.223 12 E HA 0.503 4.853 4.350 -0.000 0.000 0.282 12 E C -0.756 175.864 176.600 0.034 0.000 1.046 12 E CA 0.045 56.470 56.400 0.041 0.000 0.857 12 E CB 2.140 31.850 29.700 0.018 0.000 1.055 12 E HN 0.489 nan 8.360 nan 0.000 0.409 13 V N 5.350 125.252 119.914 -0.020 0.000 2.808 13 V HA 0.351 4.471 4.120 -0.000 0.000 0.308 13 V C -2.434 173.571 176.094 -0.148 0.000 1.099 13 V CA -2.361 59.867 62.300 -0.121 0.000 0.920 13 V CB 2.564 34.382 31.823 -0.008 0.000 1.014 13 V HN 0.463 nan 8.190 nan 0.000 0.425 14 P HA 0.080 nan 4.420 nan 0.000 0.270 14 P C -2.233 174.998 177.300 -0.115 0.000 1.216 14 P CA -0.469 62.473 63.100 -0.263 0.000 0.788 14 P CB -0.055 31.319 31.700 -0.543 0.000 0.883 15 P HA -0.139 nan 4.420 nan 0.000 0.216 15 P C 1.326 178.635 177.300 0.016 0.000 1.153 15 P CA 1.909 64.995 63.100 -0.023 0.000 0.848 15 P CB -0.551 31.135 31.700 -0.022 0.000 0.787 16 G N -0.485 108.337 108.800 0.035 0.000 3.262 16 G HA2 0.047 4.007 3.960 -0.000 0.000 0.228 16 G HA3 0.047 4.007 3.960 -0.000 0.000 0.228 16 G C 0.290 175.257 174.900 0.111 0.000 1.197 16 G CA -0.011 45.134 45.100 0.075 0.000 0.819 16 G HN 0.186 nan 8.290 nan 0.000 0.531 17 T N 0.464 115.088 114.554 0.118 0.000 2.918 17 T HA 0.313 4.663 4.350 -0.000 0.000 0.302 17 T C 0.622 175.402 174.700 0.135 0.000 1.045 17 T CA 0.143 62.357 62.100 0.191 0.000 1.114 17 T CB 1.440 70.448 68.868 0.233 0.000 0.965 17 T HN 0.146 nan 8.240 nan 0.000 0.540 18 S N 1.754 117.525 115.700 0.119 0.000 2.513 18 S HA 0.179 4.648 4.470 -0.000 0.000 0.276 18 S C 1.582 176.242 174.600 0.101 0.000 1.254 18 S CA -0.940 57.314 58.200 0.090 0.000 1.053 18 S CB 0.470 63.714 63.200 0.072 0.000 0.958 18 S HN 0.472 nan 8.310 nan 0.000 0.491 19 V N 6.805 126.769 119.914 0.084 0.000 2.313 19 V HA -0.292 3.827 4.120 -0.000 0.000 0.253 19 V C 2.310 178.454 176.094 0.083 0.000 1.070 19 V CA 2.721 65.065 62.300 0.073 0.000 1.057 19 V CB -1.035 30.815 31.823 0.045 0.000 0.653 19 V HN 0.993 nan 8.190 nan 0.000 0.450 20 M N 0.679 120.344 119.600 0.109 0.000 2.200 20 M HA -0.258 4.222 4.480 -0.000 0.000 0.261 20 M C 1.915 178.354 176.300 0.232 0.000 1.074 20 M CA 2.759 58.163 55.300 0.174 0.000 1.098 20 M CB -0.569 32.186 32.600 0.259 0.000 1.268 20 M HN 0.337 nan 8.290 nan 0.000 0.432 21 D N 0.734 121.259 120.400 0.207 0.000 2.172 21 D HA -0.205 4.435 4.640 -0.000 0.000 0.196 21 D C 1.886 178.338 176.300 0.253 0.000 0.999 21 D CA 1.813 55.899 54.000 0.143 0.000 0.856 21 D CB -0.369 40.248 40.800 -0.307 0.000 0.934 21 D HN 0.565 nan 8.370 nan 0.000 0.453 22 A N 0.409 123.361 122.820 0.219 0.000 1.849 22 A HA -0.213 4.107 4.320 -0.000 0.000 0.217 22 A C 2.443 180.148 177.584 0.203 0.000 1.202 22 A CA 1.749 53.934 52.037 0.248 0.000 0.629 22 A CB -1.112 17.980 19.000 0.153 0.000 0.834 22 A HN 0.129 nan 8.150 nan 0.000 0.447 23 V N -1.046 118.915 119.914 0.078 0.000 2.218 23 V HA -0.336 3.784 4.120 -0.000 0.000 0.251 23 V C 2.335 178.420 176.094 -0.014 0.000 1.057 23 V CA 2.607 64.890 62.300 -0.028 0.000 1.022 23 V CB -1.193 30.530 31.823 -0.168 0.000 0.645 23 V HN 0.554 nan 8.190 nan 0.000 0.451 24 F N -0.142 119.796 119.950 -0.022 0.000 2.225 24 F HA -0.226 4.301 4.527 -0.000 0.000 0.302 24 F C 2.355 177.952 175.800 -0.338 0.000 1.068 24 F CA 2.142 59.975 58.000 -0.277 0.000 1.327 24 F CB -0.764 37.846 39.000 -0.651 0.000 1.043 24 F HN 0.341 nan 8.300 nan 0.000 0.506 25 H N -0.286 118.789 119.070 0.008 0.000 2.363 25 H HA 0.069 4.625 4.556 -0.000 0.000 0.301 25 H C 2.134 177.571 175.328 0.181 0.000 1.074 25 H CA 1.331 57.530 56.048 0.251 0.000 1.354 25 H CB -0.346 29.684 29.762 0.447 0.000 1.397 25 H HN 0.065 nan 8.280 nan 0.000 0.516 26 A N -0.314 122.576 122.820 0.117 0.000 2.178 26 A HA 0.149 4.469 4.320 -0.000 0.000 0.218 26 A C 1.772 179.460 177.584 0.174 0.000 1.157 26 A CA 1.168 53.255 52.037 0.083 0.000 0.689 26 A CB -0.959 18.104 19.000 0.104 0.000 0.787 26 A HN 0.893 nan 8.150 nan 0.000 0.465 27 G N -2.909 105.980 108.800 0.149 0.000 2.270 27 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.224 27 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.224 27 G C -0.237 174.650 174.900 -0.022 0.000 1.079 27 G CA 0.214 45.357 45.100 0.072 0.000 0.807 27 G HN 0.409 nan 8.290 nan 0.000 0.492 28 Y N 0.161 120.408 120.300 -0.088 0.000 3.013 28 Y HA 0.728 5.277 4.550 -0.000 0.000 0.310 28 Y C 0.397 176.120 175.900 -0.295 0.000 1.450 28 Y CA -0.294 57.722 58.100 -0.140 0.000 1.091 28 Y CB 1.218 39.590 38.460 -0.147 0.000 1.373 28 Y HN 0.327 nan 8.280 nan 0.000 0.590 29 D N -0.681 119.655 120.400 -0.108 0.000 2.583 29 D HA 0.585 5.225 4.640 -0.000 0.000 0.248 29 D C -1.727 174.498 176.300 -0.125 0.000 1.209 29 D CA -0.649 53.218 54.000 -0.222 0.000 0.848 29 D CB 2.045 42.944 40.800 0.166 0.000 1.431 29 D HN 0.439 nan 8.370 nan 0.000 0.436 30 V N -0.078 119.816 119.914 -0.033 0.000 2.971 30 V HA 0.298 4.418 4.120 -0.000 0.000 0.281 30 V C -2.857 173.192 176.094 -0.075 0.000 1.470 30 V CA -1.454 60.779 62.300 -0.111 0.000 0.966 30 V CB 2.500 34.229 31.823 -0.157 0.000 1.156 30 V HN 0.433 nan 8.190 nan 0.000 0.441 31 P HA 0.062 nan 4.420 nan 0.000 0.252 31 P C -0.678 176.623 177.300 0.001 0.000 1.183 31 P CA 0.223 63.140 63.100 -0.305 0.000 0.973 31 P CB -0.119 31.225 31.700 -0.593 0.000 0.990 32 L N 4.632 125.966 121.223 0.185 0.000 2.281 32 L HA 0.236 4.576 4.340 -0.000 0.000 0.285 32 L C 0.206 177.307 176.870 0.384 0.000 1.074 32 L CA 0.561 55.502 54.840 0.168 0.000 0.817 32 L CB 0.149 42.185 42.059 -0.038 0.000 1.168 32 L HN 0.367 nan 8.230 nan 0.000 0.434 33 F N 2.200 122.123 119.950 -0.045 0.000 2.157 33 F HA -0.008 4.519 4.527 -0.000 0.000 0.277 33 F C 1.930 177.730 175.800 -0.001 0.000 0.904 33 F CA 0.459 58.444 58.000 -0.023 0.000 1.121 33 F CB -0.129 38.865 39.000 -0.011 0.000 1.195 33 F HN 0.608 nan 8.300 nan 0.000 0.726 34 C N -0.858 118.571 119.300 0.215 0.000 2.551 34 C HA 0.371 4.831 4.460 -0.000 0.000 0.277 34 C C 1.344 176.394 174.990 0.100 0.000 1.349 34 C CA -0.242 58.862 59.018 0.143 0.000 1.750 34 C CB -1.073 26.753 27.740 0.144 0.000 2.058 34 C HN 0.161 nan 8.230 nan 0.000 0.518 35 S N 1.445 117.197 115.700 0.086 0.000 2.600 35 S HA 0.509 4.979 4.470 -0.000 0.000 0.265 35 S C -0.474 174.146 174.600 0.034 0.000 1.325 35 S CA 0.281 58.526 58.200 0.074 0.000 1.002 35 S CB 0.810 64.064 63.200 0.090 0.000 0.921 35 S HN 0.771 nan 8.310 nan 0.000 0.554 36 E N 0.618 120.860 120.200 0.071 0.000 2.422 36 E HA 0.201 4.551 4.350 -0.000 0.000 0.289 36 E C -1.662 175.026 176.600 0.147 0.000 0.985 36 E CA -0.518 55.922 56.400 0.066 0.000 0.812 36 E CB 0.625 30.376 29.700 0.085 0.000 1.226 36 E HN 0.416 nan 8.360 nan 0.000 0.419 37 K N 2.853 123.353 120.400 0.167 0.000 2.543 37 K HA -0.017 4.303 4.320 -0.000 0.000 0.279 37 K C -0.368 176.419 176.600 0.312 0.000 1.001 37 K CA 1.179 57.591 56.287 0.208 0.000 1.088 37 K CB -0.166 32.477 32.500 0.238 0.000 0.863 37 K HN 0.758 nan 8.250 nan 0.000 0.488 38 H N -1.534 117.605 119.070 0.116 0.000 3.641 38 H HA -0.190 4.365 4.556 -0.000 0.000 0.193 38 H C -0.607 174.859 175.328 0.231 0.000 1.013 38 H CA 1.172 57.335 56.048 0.191 0.000 1.212 38 H CB -1.442 28.498 29.762 0.296 0.000 1.089 38 H HN 0.380 nan 8.280 nan 0.000 0.339 39 L N 0.376 121.759 121.223 0.267 0.000 2.319 39 L HA 0.457 4.797 4.340 -0.000 0.000 0.267 39 L C 0.389 177.338 176.870 0.131 0.000 1.011 39 L CA -0.731 54.235 54.840 0.210 0.000 0.818 39 L CB 1.709 43.902 42.059 0.223 0.000 1.316 39 L HN 0.194 nan 8.230 nan 0.000 0.432 40 S N 1.715 117.476 115.700 0.102 0.000 2.506 40 S HA 0.182 4.652 4.470 -0.000 0.000 0.291 40 S C -2.280 172.367 174.600 0.079 0.000 1.230 40 S CA -1.116 57.129 58.200 0.074 0.000 1.107 40 S CB -0.297 62.937 63.200 0.055 0.000 0.942 40 S HN 0.313 nan 8.310 nan 0.000 0.502 41 P HA 0.267 nan 4.420 nan 0.000 0.266 41 P C -0.038 177.303 177.300 0.068 0.000 1.195 41 P CA -0.254 62.893 63.100 0.078 0.000 0.768 41 P CB 0.368 32.114 31.700 0.076 0.000 0.838 42 I N -2.605 118.008 120.570 0.072 0.000 3.102 42 I HA 0.545 4.715 4.170 -0.000 0.000 0.310 42 I C 1.064 177.215 176.117 0.057 0.000 1.246 42 I CA -1.187 60.151 61.300 0.063 0.000 0.979 42 I CB 1.605 39.649 38.000 0.073 0.000 1.267 42 I HN 0.309 nan 8.210 nan 0.000 0.451 43 G N 1.937 110.762 108.800 0.042 0.000 2.443 43 G HA2 0.145 4.105 3.960 -0.000 0.000 0.219 43 G HA3 0.145 4.105 3.960 -0.000 0.000 0.219 43 G C 0.852 175.769 174.900 0.028 0.000 1.131 43 G CA 0.542 45.659 45.100 0.029 0.000 0.775 43 G HN 1.008 nan 8.290 nan 0.000 0.547 44 A N -0.700 122.143 122.820 0.038 0.000 2.583 44 A HA 0.304 4.624 4.320 -0.000 0.000 0.231 44 A C 1.530 179.144 177.584 0.049 0.000 1.065 44 A CA 0.827 52.886 52.037 0.036 0.000 0.760 44 A CB -0.614 18.420 19.000 0.055 0.000 1.001 44 A HN 2.075 nan 8.150 nan 0.000 0.509 45 C N 1.801 121.123 119.300 0.036 0.000 4.520 45 C HA -0.094 4.366 4.460 -0.000 0.000 0.312 45 C C 0.547 175.527 174.990 -0.017 0.000 1.231 45 C CA 0.039 59.079 59.018 0.037 0.000 2.159 45 C CB -2.821 24.996 27.740 0.129 0.000 1.250 45 C HN 0.908 nan 8.230 nan 0.000 0.718 46 R N 1.190 121.671 120.500 -0.031 0.000 4.219 46 R HA -0.011 4.329 4.340 -0.000 0.000 0.159 46 R C 1.515 177.761 176.300 -0.090 0.000 1.934 46 R CA 0.766 56.839 56.100 -0.046 0.000 1.395 46 R CB -0.011 30.268 30.300 -0.035 0.000 1.320 46 R HN 0.740 nan 8.270 nan 0.000 0.765 47 M N -0.511 119.018 119.600 -0.119 0.000 2.718 47 M HA -0.020 4.460 4.480 -0.000 0.000 0.259 47 M C 1.923 178.115 176.300 -0.181 0.000 1.240 47 M CA 0.755 55.932 55.300 -0.204 0.000 1.210 47 M CB -0.541 31.871 32.600 -0.313 0.000 1.281 47 M HN 0.406 nan 8.290 nan 0.000 0.515 48 C N 2.344 121.585 119.300 -0.099 0.000 2.376 48 C HA 0.419 4.878 4.460 -0.000 0.000 0.407 48 C C 0.899 175.844 174.990 -0.073 0.000 1.303 48 C CA -1.131 57.845 59.018 -0.069 0.000 1.572 48 C CB -2.509 25.242 27.740 0.019 0.000 1.706 48 C HN 0.226 nan 8.230 nan 0.000 0.593 49 L N 1.599 122.758 121.223 -0.107 0.000 2.452 49 L HA 0.598 4.938 4.340 -0.000 0.000 0.267 49 L C 0.506 177.309 176.870 -0.112 0.000 1.188 49 L CA 0.241 55.022 54.840 -0.098 0.000 0.821 49 L CB 1.156 43.151 42.059 -0.108 0.000 1.102 49 L HN 0.516 nan 8.230 nan 0.000 0.470 50 V N 0.438 120.288 119.914 -0.106 0.000 3.230 50 V HA 0.574 4.694 4.120 -0.000 0.000 0.302 50 V C -1.091 174.914 176.094 -0.148 0.000 1.421 50 V CA -1.161 61.063 62.300 -0.126 0.000 1.065 50 V CB 2.091 33.853 31.823 -0.102 0.000 1.097 50 V HN 0.795 nan 8.190 nan 0.000 0.460 51 R N 0.550 120.929 120.500 -0.203 0.000 2.494 51 R HA 0.828 5.168 4.340 -0.000 0.000 0.305 51 R C -1.394 174.782 176.300 -0.207 0.000 0.959 51 R CA -0.636 55.294 56.100 -0.283 0.000 0.864 51 R CB 1.566 31.554 30.300 -0.519 0.000 1.159 51 R HN 0.861 nan 8.270 nan 0.000 0.446 52 I N 1.607 122.141 120.570 -0.060 0.000 3.067 52 I HA 0.709 4.879 4.170 -0.000 0.000 0.312 52 I C 0.299 176.659 176.117 0.404 0.000 1.073 52 I CA -0.946 60.434 61.300 0.134 0.000 1.016 52 I CB 2.497 40.546 38.000 0.082 0.000 1.227 52 I HN 0.822 nan 8.210 nan 0.000 0.456 53 G N 2.270 111.308 108.800 0.397 0.000 2.506 53 G HA2 0.526 4.486 3.960 -0.000 0.000 0.292 53 G HA3 0.526 4.486 3.960 -0.000 0.000 0.292 53 G C -2.190 172.750 174.900 0.067 0.000 1.425 53 G CA -0.296 44.982 45.100 0.297 0.000 0.788 53 G HN 0.402 nan 8.290 nan 0.000 0.490 74 Q N 3.617 123.256 119.800 -0.268 0.000 2.325 74 Q HA 0.453 4.793 4.340 -0.000 0.000 0.262 74 Q C -1.683 174.301 176.000 -0.026 0.000 0.968 74 Q CA -0.590 55.114 55.803 -0.164 0.000 0.877 74 Q CB 1.290 29.994 28.738 -0.056 0.000 1.253 74 Q HN 0.788 nan 8.270 nan 0.000 0.448 75 W N 4.627 125.917 121.300 -0.015 0.000 2.546 75 W HA 0.106 4.766 4.660 -0.000 0.000 0.323 75 W C 0.411 176.920 176.519 -0.016 0.000 1.272 75 W CA -1.055 56.280 57.345 -0.018 0.000 1.404 75 W CB 0.790 30.239 29.460 -0.018 0.000 1.411 75 W HN 0.342 nan 8.180 nan 0.000 0.480 76 Q N 3.694 123.661 119.800 0.278 0.000 2.398 76 Q HA -0.133 4.207 4.340 -0.000 0.000 0.329 76 Q C -1.153 174.899 176.000 0.085 0.000 1.079 76 Q CA 0.012 55.893 55.803 0.131 0.000 1.041 76 Q CB 0.280 29.072 28.738 0.089 0.000 1.084 76 Q HN 0.345 nan 8.270 nan 0.000 0.386 77 P HA -0.215 nan 4.420 nan 0.000 0.217 77 P C -0.236 177.066 177.300 0.004 0.000 1.158 77 P CA 1.906 65.026 63.100 0.034 0.000 0.887 77 P CB 0.231 31.947 31.700 0.025 0.000 0.792 78 K N -1.359 119.038 120.400 -0.005 0.000 2.328 78 K HA 0.460 4.780 4.320 -0.000 0.000 0.246 78 K C -0.490 176.086 176.600 -0.040 0.000 0.955 78 K CA -1.057 55.214 56.287 -0.027 0.000 0.817 78 K CB 1.444 33.931 32.500 -0.021 0.000 1.208 78 K HN -0.164 nan 8.250 nan 0.000 0.432 79 L N 1.297 122.482 121.223 -0.064 0.000 2.499 79 L HA 0.187 4.527 4.340 -0.000 0.000 0.281 79 L C 0.336 177.174 176.870 -0.053 0.000 1.234 79 L CA 0.013 54.805 54.840 -0.079 0.000 0.839 79 L CB 0.357 42.360 42.059 -0.093 0.000 1.104 79 L HN 0.893 nan 8.230 nan 0.000 0.500 80 A N 1.527 124.316 122.820 -0.052 0.000 2.384 80 A HA 0.790 5.110 4.320 -0.000 0.000 0.312 80 A C -0.314 177.253 177.584 -0.028 0.000 1.113 80 A CA -0.508 51.511 52.037 -0.030 0.000 0.779 80 A CB 1.451 20.443 19.000 -0.014 0.000 1.307 80 A HN 0.754 nan 8.150 nan 0.000 0.436 81 A N 1.059 123.871 122.820 -0.013 0.000 2.666 81 A HA 0.432 4.751 4.320 -0.000 0.000 0.301 81 A C 1.300 178.891 177.584 0.011 0.000 1.470 81 A CA 0.539 52.573 52.037 -0.004 0.000 1.159 81 A CB -0.703 18.300 19.000 0.006 0.000 1.116 81 A HN 1.585 nan 8.150 nan 0.000 0.548 82 S N 1.314 117.017 115.700 0.005 0.000 2.484 82 S HA -0.224 4.246 4.470 -0.000 0.000 0.250 82 S C 1.640 176.277 174.600 0.063 0.000 0.995 82 S CA 2.025 60.240 58.200 0.025 0.000 0.967 82 S CB -0.800 62.406 63.200 0.010 0.000 0.752 82 S HN 1.215 nan 8.310 nan 0.000 0.517 83 C N -0.381 118.960 119.300 0.067 0.000 2.735 83 C HA 0.494 4.954 4.460 -0.000 0.000 0.271 83 C C 1.907 176.941 174.990 0.073 0.000 1.281 83 C CA 0.273 59.347 59.018 0.092 0.000 1.719 83 C CB -0.990 26.811 27.740 0.102 0.000 2.024 83 C HN 0.521 nan 8.230 nan 0.000 0.566 84 V N -1.741 118.205 119.914 0.054 0.000 3.477 84 V HA 0.306 4.426 4.120 -0.000 0.000 0.297 84 V C 0.314 176.432 176.094 0.039 0.000 1.433 84 V CA 0.353 62.681 62.300 0.046 0.000 1.052 84 V CB -0.817 31.028 31.823 0.038 0.000 0.895 84 V HN 0.397 nan 8.190 nan 0.000 0.438 85 T N 3.048 117.626 114.554 0.040 0.000 2.806 85 T HA 0.761 5.110 4.350 -0.000 0.000 0.290 85 T C 0.348 175.075 174.700 0.044 0.000 0.966 85 T CA 0.540 62.661 62.100 0.035 0.000 1.060 85 T CB 1.340 70.224 68.868 0.028 0.000 0.927 85 T HN 0.738 nan 8.240 nan 0.000 0.485 86 A N 3.033 125.878 122.820 0.041 0.000 2.322 86 A HA 0.666 4.986 4.320 -0.000 0.000 0.269 86 A C 0.631 178.242 177.584 0.046 0.000 1.094 86 A CA -0.720 51.345 52.037 0.046 0.000 0.807 86 A CB 0.204 19.228 19.000 0.039 0.000 1.047 86 A HN 0.852 nan 8.150 nan 0.000 0.487 87 V N -1.314 118.631 119.914 0.052 0.000 3.036 87 V HA 0.846 4.966 4.120 -0.000 0.000 0.308 87 V C 0.306 176.422 176.094 0.036 0.000 1.070 87 V CA -0.153 62.176 62.300 0.049 0.000 1.056 87 V CB 0.934 32.794 31.823 0.062 0.000 1.084 87 V HN 1.732 nan 8.190 nan 0.000 0.471 88 A N 1.103 123.942 122.820 0.032 0.000 2.498 88 A HA 0.537 4.857 4.320 -0.000 0.000 0.298 88 A C -0.572 177.022 177.584 0.017 0.000 1.075 88 A CA -0.632 51.418 52.037 0.022 0.000 0.714 88 A CB 1.404 20.416 19.000 0.021 0.000 1.299 88 A HN 0.942 nan 8.150 nan 0.000 0.407 89 D N 0.767 121.172 120.400 0.009 0.000 2.434 89 D HA 0.352 4.992 4.640 -0.000 0.000 0.252 89 D C 1.358 177.659 176.300 0.002 0.000 1.185 89 D CA 2.300 56.302 54.000 0.004 0.000 0.886 89 D CB 0.531 41.330 40.800 -0.002 0.000 1.148 89 D HN 1.472 nan 8.370 nan 0.000 0.483 90 G N 3.683 112.485 108.800 0.003 0.000 2.143 90 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.249 90 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.249 90 G C 0.583 175.483 174.900 0.000 0.000 0.981 90 G CA 0.425 45.523 45.100 -0.004 0.000 0.665 90 G HN 0.583 nan 8.290 nan 0.000 0.528 91 M N 0.885 120.494 119.600 0.015 0.000 2.243 91 M HA 0.526 5.006 4.480 -0.000 0.000 0.341 91 M C -0.103 176.222 176.300 0.041 0.000 1.130 91 M CA 0.062 55.380 55.300 0.031 0.000 1.162 91 M CB 0.940 33.563 32.600 0.039 0.000 1.497 91 M HN 0.016 nan 8.290 nan 0.000 0.456 92 V N 5.572 125.533 119.914 0.078 0.000 2.378 92 V HA 0.381 4.500 4.120 -0.000 0.000 0.288 92 V C -0.753 175.445 176.094 0.174 0.000 1.016 92 V CA -0.709 61.663 62.300 0.119 0.000 0.840 92 V CB 1.613 33.520 31.823 0.140 0.000 0.994 92 V HN 0.670 nan 8.190 nan 0.000 0.431 93 V N 4.565 124.523 119.914 0.072 0.000 2.284 93 V HA 0.275 4.395 4.120 -0.000 0.000 0.274 93 V C -0.180 175.877 176.094 -0.062 0.000 1.023 93 V CA -0.614 61.691 62.300 0.008 0.000 0.808 93 V CB 1.422 33.228 31.823 -0.029 0.000 1.035 93 V HN 1.041 nan 8.190 nan 0.000 0.445 94 D N 2.981 123.328 120.400 -0.088 0.000 2.264 94 D HA 0.312 4.952 4.640 -0.000 0.000 0.250 94 D C 0.894 177.093 176.300 -0.170 0.000 1.113 94 D CA -0.017 53.898 54.000 -0.141 0.000 0.871 94 D CB 1.858 42.552 40.800 -0.178 0.000 1.167 94 D HN 0.539 nan 8.370 nan 0.000 0.447 95 T N 1.274 115.743 114.554 -0.142 0.000 3.252 95 T HA 0.222 4.572 4.350 -0.000 0.000 0.286 95 T C 0.431 175.105 174.700 -0.044 0.000 1.013 95 T CA -0.383 61.658 62.100 -0.099 0.000 0.914 95 T CB -0.233 68.589 68.868 -0.076 0.000 1.131 95 T HN 0.336 nan 8.240 nan 0.000 0.529 96 L N 0.109 121.298 121.223 -0.057 0.000 3.360 96 L HA 0.478 4.817 4.340 -0.000 0.000 0.303 96 L C 0.640 177.475 176.870 -0.059 0.000 1.218 96 L CA -0.318 54.507 54.840 -0.025 0.000 1.059 96 L CB 0.228 42.302 42.059 0.026 0.000 1.468 96 L HN 0.030 nan 8.230 nan 0.000 0.614 97 S N 1.136 116.773 115.700 -0.105 0.000 2.558 97 S HA -0.036 4.433 4.470 -0.000 0.000 0.288 97 S C 0.973 175.497 174.600 -0.127 0.000 1.318 97 S CA -0.145 57.984 58.200 -0.118 0.000 1.056 97 S CB 0.534 63.620 63.200 -0.191 0.000 0.853 97 S HN 0.280 nan 8.310 nan 0.000 0.505 98 D N 1.737 122.080 120.400 -0.095 0.000 2.239 98 D HA -0.123 4.517 4.640 -0.000 0.000 0.202 98 D C 1.768 177.947 176.300 -0.202 0.000 0.993 98 D CA 1.064 54.997 54.000 -0.111 0.000 0.874 98 D CB -0.016 40.775 40.800 -0.015 0.000 0.922 98 D HN 0.306 nan 8.370 nan 0.000 0.464 99 V N 0.661 120.473 119.914 -0.169 0.000 2.488 99 V HA -0.148 3.972 4.120 -0.000 0.000 0.246 99 V C 2.638 178.604 176.094 -0.213 0.000 1.046 99 V CA 0.678 62.870 62.300 -0.180 0.000 1.053 99 V CB -0.093 31.637 31.823 -0.155 0.000 0.679 99 V HN 0.038 nan 8.190 nan 0.000 0.458 100 V N -0.028 119.760 119.914 -0.209 0.000 2.307 100 V HA -0.235 3.885 4.120 -0.000 0.000 0.245 100 V C 2.612 178.580 176.094 -0.210 0.000 1.045 100 V CA 2.002 64.186 62.300 -0.194 0.000 1.024 100 V CB -0.708 31.012 31.823 -0.171 0.000 0.651 100 V HN 0.458 nan 8.190 nan 0.000 0.449 101 R N -0.107 120.244 120.500 -0.250 0.000 2.070 101 R HA -0.222 4.118 4.340 -0.000 0.000 0.233 101 R C 2.404 178.433 176.300 -0.450 0.000 1.137 101 R CA 1.849 57.773 56.100 -0.292 0.000 0.945 101 R CB -0.453 29.659 30.300 -0.314 0.000 0.845 101 R HN 0.640 nan 8.270 nan 0.000 0.430 102 E N 0.556 120.327 120.200 -0.715 0.000 2.187 102 E HA -0.260 4.090 4.350 -0.000 0.000 0.199 102 E C 1.709 178.150 176.600 -0.265 0.000 1.004 102 E CA 1.513 57.544 56.400 -0.615 0.000 0.813 102 E CB -0.006 29.460 29.700 -0.390 0.000 0.736 102 E HN 0.406 nan 8.360 nan 0.000 0.468 103 A N 0.620 123.302 122.820 -0.230 0.000 1.843 103 A HA -0.190 4.130 4.320 -0.000 0.000 0.213 103 A C 2.110 179.596 177.584 -0.162 0.000 1.202 103 A CA 1.421 53.361 52.037 -0.161 0.000 0.607 103 A CB -0.536 18.377 19.000 -0.146 0.000 0.847 103 A HN 0.357 nan 8.150 nan 0.000 0.445 104 Q N -0.120 119.575 119.800 -0.175 0.000 2.045 104 Q HA -0.205 4.135 4.340 -0.000 0.000 0.206 104 Q C 2.394 178.307 176.000 -0.146 0.000 0.991 104 Q CA 1.561 57.254 55.803 -0.182 0.000 0.851 104 Q CB -0.596 28.032 28.738 -0.183 0.000 0.911 104 Q HN 0.627 nan 8.270 nan 0.000 0.418 105 A N 1.606 124.359 122.820 -0.113 0.000 1.915 105 A HA -0.249 4.071 4.320 -0.000 0.000 0.220 105 A C 2.363 179.866 177.584 -0.134 0.000 1.198 105 A CA 2.199 54.198 52.037 -0.064 0.000 0.647 105 A CB -1.583 17.413 19.000 -0.006 0.000 0.825 105 A HN 0.531 nan 8.150 nan 0.000 0.456 106 G N -1.555 107.129 108.800 -0.193 0.000 2.433 106 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.216 106 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.216 106 G C 1.470 176.109 174.900 -0.436 0.000 1.186 106 G CA 1.509 46.390 45.100 -0.365 0.000 0.779 106 G HN 0.349 nan 8.290 nan 0.000 0.543 107 M N 0.463 119.934 119.600 -0.215 0.000 2.113 107 M HA -0.126 4.354 4.480 -0.000 0.000 0.255 107 M C 2.693 178.916 176.300 -0.129 0.000 1.073 107 M CA 1.117 56.363 55.300 -0.089 0.000 1.091 107 M CB -0.857 31.672 32.600 -0.119 0.000 1.309 107 M HN 0.072 nan 8.290 nan 0.000 0.407 108 V N -0.173 119.633 119.914 -0.179 0.000 2.252 108 V HA -0.349 3.771 4.120 -0.000 0.000 0.249 108 V C 2.276 178.313 176.094 -0.094 0.000 1.056 108 V CA 2.426 64.643 62.300 -0.139 0.000 1.022 108 V CB -1.018 30.751 31.823 -0.091 0.000 0.641 108 V HN 0.649 nan 8.190 nan 0.000 0.445 109 E N -0.277 119.822 120.200 -0.169 0.000 2.136 109 E HA -0.283 4.067 4.350 -0.000 0.000 0.202 109 E C 1.993 178.526 176.600 -0.113 0.000 1.019 109 E CA 2.175 58.467 56.400 -0.180 0.000 0.819 109 E CB -0.246 29.246 29.700 -0.347 0.000 0.739 109 E HN 0.536 nan 8.360 nan 0.000 0.458 110 F N 0.769 120.683 119.950 -0.059 0.000 2.098 110 F HA -0.073 4.454 4.527 -0.000 0.000 0.294 110 F C 2.651 178.420 175.800 -0.051 0.000 1.107 110 F CA 1.506 59.455 58.000 -0.085 0.000 1.234 110 F CB -1.184 37.754 39.000 -0.104 0.000 1.002 110 F HN 0.025 nan 8.300 nan 0.000 0.472 111 T N 1.036 115.681 114.554 0.153 0.000 2.653 111 T HA -0.204 4.146 4.350 -0.000 0.000 0.268 111 T C 2.267 177.039 174.700 0.120 0.000 1.035 111 T CA 1.452 63.616 62.100 0.107 0.000 1.154 111 T CB -0.552 68.327 68.868 0.019 0.000 0.862 111 T HN 0.144 nan 8.240 nan 0.000 0.441 112 L N 0.260 121.544 121.223 0.101 0.000 2.156 112 L HA 0.067 4.406 4.340 -0.000 0.000 0.208 112 L C 2.460 179.462 176.870 0.220 0.000 1.095 112 L CA 0.508 55.431 54.840 0.139 0.000 0.770 112 L CB -0.675 41.457 42.059 0.122 0.000 0.914 112 L HN 0.251 nan 8.230 nan 0.000 0.439 113 L N 0.469 121.804 121.223 0.187 0.000 2.119 113 L HA -0.341 3.999 4.340 -0.000 0.000 0.226 113 L C 1.862 178.933 176.870 0.335 0.000 1.093 113 L CA 1.964 56.924 54.840 0.199 0.000 0.806 113 L CB -0.326 41.709 42.059 -0.040 0.000 0.902 113 L HN 0.353 nan 8.230 nan 0.000 0.444 114 N N -2.160 116.698 118.700 0.263 0.000 2.203 114 N HA 0.005 4.745 4.740 -0.000 0.000 0.207 114 N C 0.005 175.700 175.510 0.309 0.000 1.130 114 N CA -0.067 53.160 53.050 0.295 0.000 0.861 114 N CB -0.095 38.514 38.487 0.203 0.000 1.005 114 N HN 0.447 nan 8.380 nan 0.000 0.507 115 H N 1.452 120.640 119.070 0.197 0.000 2.767 115 H HA 0.080 4.636 4.556 -0.000 0.000 0.380 115 H C -1.207 174.225 175.328 0.174 0.000 1.409 115 H CA -0.454 55.698 56.048 0.174 0.000 1.463 115 H CB 0.879 30.738 29.762 0.162 0.000 1.514 115 H HN 0.035 nan 8.280 nan 0.000 0.619 116 P HA 0.116 nan 4.420 nan 0.000 0.260 116 P C -0.606 176.703 177.300 0.015 0.000 1.222 116 P CA 0.421 63.499 63.100 -0.037 0.000 0.843 116 P CB 1.376 33.018 31.700 -0.096 0.000 1.159 117 L N 0.222 121.465 121.223 0.034 0.000 3.223 117 L HA -0.100 4.240 4.340 -0.000 0.000 0.573 117 L C -0.460 176.441 176.870 0.051 0.000 1.328 117 L CA 0.003 54.888 54.840 0.075 0.000 0.992 117 L CB -2.229 39.871 42.059 0.067 0.000 1.794 117 L HN 0.004 nan 8.230 nan 0.000 0.823 118 D N -1.222 119.210 120.400 0.054 0.000 2.441 118 D HA 0.163 4.803 4.640 -0.000 0.000 0.210 118 D C 1.730 178.078 176.300 0.081 0.000 1.102 118 D CA 0.416 54.451 54.000 0.058 0.000 0.840 118 D CB 0.273 41.103 40.800 0.049 0.000 0.990 118 D HN 0.518 nan 8.370 nan 0.000 0.505 119 C N 2.269 121.633 119.300 0.108 0.000 2.269 119 C HA -0.229 4.231 4.460 -0.000 0.000 0.264 119 C C 0.172 175.217 174.990 0.092 0.000 1.112 119 C CA 1.567 60.654 59.018 0.114 0.000 1.805 119 C CB -1.703 26.108 27.740 0.118 0.000 1.958 119 C HN 0.380 nan 8.230 nan 0.000 0.418 120 P HA -0.122 nan 4.420 nan 0.000 0.216 120 P C 1.206 178.512 177.300 0.009 0.000 1.153 120 P CA 2.391 65.522 63.100 0.052 0.000 0.858 120 P CB -0.419 31.301 31.700 0.034 0.000 0.789 121 T N -0.826 113.730 114.554 0.003 0.000 2.985 121 T HA -0.027 4.323 4.350 -0.000 0.000 0.266 121 T C 1.196 175.899 174.700 0.005 0.000 1.076 121 T CA 0.288 62.367 62.100 -0.036 0.000 1.135 121 T CB -0.844 68.029 68.868 0.008 0.000 0.890 121 T HN 0.206 nan 8.240 nan 0.000 0.480 122 C N 3.019 122.362 119.300 0.070 0.000 2.653 122 C HA 0.103 4.563 4.460 -0.000 0.000 0.421 122 C C 1.644 176.707 174.990 0.122 0.000 1.334 122 C CA -0.605 58.489 59.018 0.126 0.000 1.885 122 C CB -0.306 27.510 27.740 0.126 0.000 2.645 122 C HN 0.380 nan 8.230 nan 0.000 0.601 123 D N 2.003 122.516 120.400 0.188 0.000 2.363 123 D HA -0.008 4.632 4.640 -0.000 0.000 0.226 123 D C 1.645 177.999 176.300 0.090 0.000 1.020 123 D CA 0.641 54.735 54.000 0.157 0.000 0.892 123 D CB 0.089 41.027 40.800 0.230 0.000 0.900 123 D HN 0.530 nan 8.370 nan 0.000 0.531 124 K N 0.368 120.826 120.400 0.097 0.000 2.487 124 K HA 0.068 4.388 4.320 -0.000 0.000 0.192 124 K C 1.218 177.874 176.600 0.094 0.000 1.027 124 K CA 0.172 56.510 56.287 0.084 0.000 1.054 124 K CB -0.171 32.385 32.500 0.092 0.000 0.824 124 K HN 0.172 nan 8.250 nan 0.000 0.510 125 G N 0.479 109.340 108.800 0.100 0.000 2.582 125 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.369 125 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.369 125 G C 0.897 175.952 174.900 0.258 0.000 1.370 125 G CA 0.561 45.766 45.100 0.174 0.000 0.955 125 G HN 0.375 nan 8.290 nan 0.000 0.525 126 G N -0.358 108.695 108.800 0.421 0.000 3.061 126 G HA2 0.473 4.433 3.960 -0.000 0.000 0.208 126 G HA3 0.473 4.433 3.960 -0.000 0.000 0.208 126 G C 0.958 175.971 174.900 0.188 0.000 1.175 126 G CA 1.168 46.443 45.100 0.291 0.000 0.812 126 G HN 1.657 nan 8.290 nan 0.000 0.523 127 A N -0.279 122.635 122.820 0.156 0.000 2.708 127 A HA 0.435 4.754 4.320 -0.000 0.000 0.293 127 A C 0.448 178.065 177.584 0.056 0.000 1.303 127 A CA -0.432 51.660 52.037 0.092 0.000 0.949 127 A CB -0.585 18.459 19.000 0.074 0.000 1.121 127 A HN 0.337 nan 8.150 nan 0.000 0.542 128 C N 0.017 119.356 119.300 0.065 0.000 2.307 128 C HA 0.443 4.903 4.460 -0.000 0.000 0.340 128 C C 1.342 176.336 174.990 0.007 0.000 1.275 128 C CA -0.292 58.748 59.018 0.036 0.000 1.811 128 C CB 0.003 27.786 27.740 0.072 0.000 2.372 128 C HN 0.776 nan 8.230 nan 0.000 0.531 129 E N 2.171 122.327 120.200 -0.075 0.000 2.107 129 E HA -0.176 4.174 4.350 -0.000 0.000 0.191 129 E C 1.695 178.257 176.600 -0.063 0.000 0.982 129 E CA 0.844 57.169 56.400 -0.124 0.000 0.809 129 E CB -0.019 29.492 29.700 -0.316 0.000 0.756 129 E HN 0.799 nan 8.360 nan 0.000 0.459 130 L N 1.453 122.621 121.223 -0.091 0.000 2.083 130 L HA -0.215 4.125 4.340 -0.000 0.000 0.209 130 L C 2.135 179.122 176.870 0.194 0.000 1.083 130 L CA 1.776 56.721 54.840 0.176 0.000 0.752 130 L CB -0.298 41.788 42.059 0.045 0.000 0.899 130 L HN 0.048 nan 8.230 nan 0.000 0.433 131 Q N -0.536 119.331 119.800 0.113 0.000 2.020 131 Q HA -0.220 4.120 4.340 -0.000 0.000 0.202 131 Q C 1.870 177.947 176.000 0.128 0.000 0.982 131 Q CA 2.054 57.927 55.803 0.116 0.000 0.838 131 Q CB -0.137 28.662 28.738 0.101 0.000 0.899 131 Q HN 0.567 nan 8.270 nan 0.000 0.423 132 D N -0.045 120.429 120.400 0.123 0.000 2.092 132 D HA -0.161 4.478 4.640 -0.000 0.000 0.193 132 D C 1.900 178.310 176.300 0.183 0.000 0.994 132 D CA 1.167 55.242 54.000 0.126 0.000 0.828 132 D CB -0.100 40.766 40.800 0.110 0.000 0.963 132 D HN -0.005 nan 8.370 nan 0.000 0.450 133 R N -0.019 120.646 120.500 0.275 0.000 2.105 133 R HA -0.039 4.301 4.340 -0.000 0.000 0.239 133 R C 2.268 178.735 176.300 0.278 0.000 1.135 133 R CA 1.331 57.650 56.100 0.365 0.000 0.967 133 R CB -0.762 29.801 30.300 0.438 0.000 0.861 133 R HN 0.179 nan 8.270 nan 0.000 0.442 134 T N -0.353 114.325 114.554 0.205 0.000 2.643 134 T HA -0.141 4.209 4.350 -0.000 0.000 0.264 134 T C 1.778 176.554 174.700 0.127 0.000 1.045 134 T CA 1.530 63.718 62.100 0.146 0.000 1.155 134 T CB -0.520 68.426 68.868 0.129 0.000 0.863 134 T HN 0.059 nan 8.240 nan 0.000 0.420 135 V N 1.205 121.185 119.914 0.110 0.000 2.490 135 V HA -0.157 3.963 4.120 -0.000 0.000 0.250 135 V C 2.138 178.253 176.094 0.035 0.000 1.061 135 V CA 1.748 64.093 62.300 0.074 0.000 1.064 135 V CB -0.435 31.423 31.823 0.060 0.000 0.670 135 V HN 0.506 nan 8.190 nan 0.000 0.461 136 E N -0.788 119.435 120.200 0.038 0.000 1.987 136 E HA -0.165 4.185 4.350 -0.000 0.000 0.198 136 E C 1.989 178.483 176.600 -0.175 0.000 0.968 136 E CA 1.788 58.115 56.400 -0.120 0.000 0.867 136 E CB -0.368 29.243 29.700 -0.149 0.000 0.819 136 E HN 0.692 nan 8.360 nan 0.000 0.516 137 Y N 1.074 121.385 120.300 0.018 0.000 2.373 137 Y HA 0.002 4.552 4.550 -0.000 0.000 0.293 137 Y C 1.947 177.846 175.900 -0.002 0.000 1.129 137 Y CA 0.505 58.602 58.100 -0.006 0.000 1.226 137 Y CB -1.233 37.206 38.460 -0.035 0.000 1.000 137 Y HN 0.268 nan 8.280 nan 0.000 0.549 138 G N 1.662 110.561 108.800 0.165 0.000 3.725 138 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.331 138 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.331 138 G C 0.326 175.272 174.900 0.078 0.000 0.871 138 G CA 0.810 45.970 45.100 0.101 0.000 0.725 138 G HN 0.278 nan 8.290 nan 0.000 1.346 139 L N -0.025 121.234 121.223 0.061 0.000 2.367 139 L HA 0.408 4.748 4.340 -0.000 0.000 0.275 139 L C -0.245 176.677 176.870 0.087 0.000 1.129 139 L CA -0.605 54.258 54.840 0.039 0.000 0.839 139 L CB 0.914 42.952 42.059 -0.035 0.000 1.133 139 L HN 0.505 nan 8.230 nan 0.000 0.453 140 Y N 4.181 124.448 120.300 -0.055 0.000 2.364 140 Y HA 0.498 5.048 4.550 -0.000 0.000 0.340 140 Y C -0.597 175.268 175.900 -0.059 0.000 0.975 140 Y CA -0.758 57.312 58.100 -0.050 0.000 1.089 140 Y CB 1.112 39.545 38.460 -0.044 0.000 1.192 140 Y HN 0.499 nan 8.280 nan 0.000 0.454 141 E N 3.888 123.765 120.200 -0.538 0.000 2.369 141 E HA 0.322 4.672 4.350 -0.000 0.000 0.270 141 E C -1.414 174.790 176.600 -0.659 0.000 0.909 141 E CA -1.129 54.925 56.400 -0.577 0.000 0.775 141 E CB 2.719 32.256 29.700 -0.272 0.000 1.270 141 E HN 0.532 nan 8.360 nan 0.000 0.445 152 P HA 0.193 nan 4.420 nan 0.000 0.261 152 P C -0.985 176.220 177.300 -0.158 0.000 1.173 152 P CA 0.315 63.316 63.100 -0.165 0.000 0.760 152 P CB 0.486 32.035 31.700 -0.252 0.000 0.783 153 V N 4.547 124.372 119.914 -0.148 0.000 2.348 153 V HA 0.049 4.169 4.120 -0.000 0.000 0.270 153 V C 0.509 176.556 176.094 -0.078 0.000 1.037 153 V CA -0.029 62.237 62.300 -0.057 0.000 0.872 153 V CB 0.363 32.174 31.823 -0.021 0.000 1.002 153 V HN 0.562 nan 8.190 nan 0.000 0.464 154 Y N 2.927 123.241 120.300 0.023 0.000 2.286 154 Y HA 0.055 4.605 4.550 -0.000 0.000 0.293 154 Y C 1.540 177.470 175.900 0.049 0.000 1.124 154 Y CA 1.325 59.444 58.100 0.033 0.000 1.178 154 Y CB 0.448 38.928 38.460 0.035 0.000 1.010 154 Y HN 0.570 nan 8.280 nan 0.000 0.536 155 T N -0.267 114.415 114.554 0.214 0.000 2.993 155 T HA 0.335 4.685 4.350 -0.000 0.000 0.312 155 T C -0.029 174.766 174.700 0.159 0.000 1.115 155 T CA -0.865 61.342 62.100 0.178 0.000 1.027 155 T CB 1.029 70.012 68.868 0.192 0.000 1.116 155 T HN 0.278 nan 8.240 nan 0.000 0.464 156 R N 2.685 123.292 120.500 0.178 0.000 2.437 156 R HA 0.246 4.585 4.340 -0.000 0.000 0.257 156 R C -0.257 176.226 176.300 0.305 0.000 0.927 156 R CA -0.423 55.788 56.100 0.184 0.000 1.078 156 R CB 0.145 30.526 30.300 0.134 0.000 1.161 156 R HN 0.406 nan 8.270 nan 0.000 0.529 157 F N 4.539 124.582 119.950 0.155 0.000 2.334 157 F HA 0.220 4.747 4.527 -0.000 0.000 0.365 157 F C 0.334 176.275 175.800 0.236 0.000 1.124 157 F CA -2.074 56.070 58.000 0.240 0.000 1.166 157 F CB 0.775 39.896 39.000 0.201 0.000 1.355 157 F HN 0.114 nan 8.300 nan 0.000 0.532 158 E N 4.488 124.730 120.200 0.070 0.000 2.336 158 E HA 0.163 4.513 4.350 -0.000 0.000 0.214 158 E C -1.047 175.219 176.600 -0.556 0.000 1.144 158 E CA -0.202 56.038 56.400 -0.267 0.000 1.294 158 E CB -0.230 29.335 29.700 -0.225 0.000 1.263 158 E HN 0.305 nan 8.360 nan 0.000 0.439 159 F N 0.490 119.928 119.950 -0.854 0.000 2.557 159 F HA 0.307 4.834 4.527 -0.000 0.000 0.336 159 F C 0.815 176.289 175.800 -0.542 0.000 1.058 159 F CA -1.402 56.262 58.000 -0.561 0.000 0.988 159 F CB 1.232 40.112 39.000 -0.200 0.000 1.275 159 F HN -0.243 nan 8.300 nan 0.000 0.488 160 T N 2.593 117.129 114.554 -0.031 0.000 2.829 160 T HA 0.162 4.511 4.350 -0.000 0.000 0.293 160 T C 0.543 175.197 174.700 -0.076 0.000 0.970 160 T CA -0.243 61.819 62.100 -0.063 0.000 1.168 160 T CB -0.166 68.692 68.868 -0.017 0.000 0.911 160 T HN 0.352 nan 8.240 nan 0.000 0.535 161 R N 1.646 122.067 120.500 -0.133 0.000 2.840 161 R HA 0.260 4.599 4.340 -0.000 0.000 0.282 161 R C 0.895 177.036 176.300 -0.265 0.000 1.133 161 R CA -0.678 55.399 56.100 -0.038 0.000 1.208 161 R CB 0.459 30.811 30.300 0.087 0.000 1.160 161 R HN 0.510 nan 8.270 nan 0.000 0.576 162 R N 1.182 121.657 120.500 -0.041 0.000 2.298 162 R HA 0.088 4.428 4.340 -0.000 0.000 0.310 162 R C -0.945 175.382 176.300 0.046 0.000 1.068 162 R CA -0.037 56.052 56.100 -0.019 0.000 0.957 162 R CB 0.384 30.744 30.300 0.101 0.000 1.003 162 R HN 0.635 nan 8.270 nan 0.000 0.454 163 H N 3.417 122.536 119.070 0.082 0.000 2.589 163 H HA 0.351 4.907 4.556 -0.000 0.000 0.335 163 H C -0.092 175.246 175.328 0.016 0.000 1.019 163 H CA -1.062 55.011 56.048 0.042 0.000 1.213 163 H CB 1.690 31.473 29.762 0.035 0.000 1.472 163 H HN 0.501 nan 8.280 nan 0.000 0.508 164 V N -0.729 119.243 119.914 0.097 0.000 3.703 164 V HA 0.362 4.482 4.120 -0.000 0.000 0.306 164 V C -0.346 175.687 176.094 -0.101 0.000 1.407 164 V CA -1.107 61.177 62.300 -0.027 0.000 0.974 164 V CB 1.176 32.951 31.823 -0.079 0.000 1.188 164 V HN 0.568 nan 8.190 nan 0.000 0.477 165 D N 0.776 121.055 120.400 -0.203 0.000 2.425 165 D HA 0.322 4.962 4.640 -0.000 0.000 0.247 165 D C -0.397 175.776 176.300 -0.211 0.000 1.147 165 D CA 0.547 54.386 54.000 -0.267 0.000 0.879 165 D CB 0.639 41.209 40.800 -0.382 0.000 1.179 165 D HN 0.669 nan 8.370 nan 0.000 0.456 166 K N 1.744 121.981 120.400 -0.271 0.000 2.324 166 K HA 0.281 4.601 4.320 -0.000 0.000 0.253 166 K C -0.868 175.396 176.600 -0.561 0.000 0.932 166 K CA -0.997 55.134 56.287 -0.261 0.000 0.799 166 K CB 0.829 33.238 32.500 -0.152 0.000 1.154 166 K HN 0.795 nan 8.250 nan 0.000 0.425 167 H N -0.218 118.899 119.070 0.078 0.000 2.592 167 H HA -0.202 4.354 4.556 -0.000 0.000 0.323 167 H C -1.663 173.733 175.328 0.114 0.000 1.117 167 H CA 0.753 56.839 56.048 0.063 0.000 1.120 167 H CB -2.360 27.406 29.762 0.007 0.000 1.561 167 H HN 0.533 nan 8.280 nan 0.000 0.409 168 H N 2.001 121.070 119.070 -0.001 0.000 2.691 168 H HA 0.316 4.872 4.556 -0.000 0.000 0.281 168 H C -2.227 173.126 175.328 0.040 0.000 1.121 168 H CA -2.153 53.907 56.048 0.020 0.000 1.254 168 H CB 1.145 30.893 29.762 -0.023 0.000 1.390 168 H HN 0.416 nan 8.280 nan 0.000 0.491 169 P HA -0.086 nan 4.420 nan 0.000 0.258 169 P C 0.644 177.980 177.300 0.062 0.000 1.187 169 P CA 0.434 63.553 63.100 0.031 0.000 0.767 169 P CB 0.893 32.583 31.700 -0.016 0.000 0.770 170 L N 1.973 123.239 121.223 0.072 0.000 2.023 170 L HA -0.040 4.300 4.340 -0.000 0.000 0.205 170 L C 1.365 178.284 176.870 0.081 0.000 1.073 170 L CA 1.320 56.213 54.840 0.088 0.000 0.745 170 L CB -0.575 41.533 42.059 0.081 0.000 0.900 170 L HN 0.295 nan 8.230 nan 0.000 0.435 171 S N 0.808 116.543 115.700 0.057 0.000 2.452 171 S HA 0.196 4.666 4.470 -0.000 0.000 0.284 171 S C -1.478 173.165 174.600 0.073 0.000 1.171 171 S CA -1.109 57.135 58.200 0.074 0.000 1.064 171 S CB 1.434 64.657 63.200 0.038 0.000 0.967 171 S HN 0.074 nan 8.310 nan 0.000 0.484 172 P HA -0.139 nan 4.420 nan 0.000 0.223 172 P C 1.024 178.344 177.300 0.034 0.000 1.144 172 P CA 0.788 63.900 63.100 0.019 0.000 0.783 172 P CB 0.144 31.839 31.700 -0.008 0.000 0.771 173 F N 1.656 121.537 119.950 -0.116 0.000 2.038 173 F HA -0.024 4.502 4.527 -0.000 0.000 0.288 173 F C 1.567 177.220 175.800 -0.246 0.000 1.296 173 F CA 0.660 58.555 58.000 -0.176 0.000 1.133 173 F CB -0.969 37.929 39.000 -0.170 0.000 0.969 173 F HN -0.293 nan 8.300 nan 0.000 0.499 174 V N -0.799 119.089 119.914 -0.044 0.000 4.263 174 V HA 0.319 4.439 4.120 -0.000 0.000 0.280 174 V C 0.271 176.243 176.094 -0.203 0.000 1.327 174 V CA -1.114 60.958 62.300 -0.380 0.000 0.863 174 V CB 0.180 31.212 31.823 -1.318 0.000 1.289 174 V HN 0.349 nan 8.190 nan 0.000 0.450 175 I N 0.639 121.103 120.570 -0.176 0.000 7.623 175 I HA -0.174 3.996 4.170 -0.000 0.000 0.126 175 I C -0.858 175.257 176.117 -0.004 0.000 1.671 175 I CA 0.235 61.511 61.300 -0.039 0.000 2.292 175 I CB -0.839 37.161 38.000 -0.001 0.000 3.366 175 I HN 0.491 nan 8.210 nan 0.000 0.240 176 L N 8.672 129.899 121.223 0.007 0.000 2.316 176 L HA 0.641 4.981 4.340 -0.000 0.000 0.280 176 L C -0.289 176.610 176.870 0.048 0.000 1.006 176 L CA -0.112 54.742 54.840 0.023 0.000 0.836 176 L CB 1.175 43.227 42.059 -0.012 0.000 1.221 176 L HN 0.489 nan 8.230 nan 0.000 0.418 177 D N 3.537 123.979 120.400 0.070 0.000 2.228 177 D HA 0.271 4.911 4.640 -0.000 0.000 0.247 177 D C -0.256 176.089 176.300 0.074 0.000 0.995 177 D CA -0.681 53.363 54.000 0.073 0.000 0.903 177 D CB 1.784 42.632 40.800 0.079 0.000 1.205 177 D HN 0.634 nan 8.370 nan 0.000 0.459 178 R N 0.659 121.199 120.500 0.067 0.000 2.609 178 R HA 0.016 4.356 4.340 -0.000 0.000 0.326 178 R C -0.236 176.081 176.300 0.029 0.000 1.090 178 R CA -0.223 55.906 56.100 0.049 0.000 1.072 178 R CB -0.291 30.047 30.300 0.064 0.000 1.330 178 R HN 0.511 nan 8.270 nan 0.000 0.572 179 E N 1.234 121.456 120.200 0.037 0.000 2.061 179 E HA -0.251 4.098 4.350 -0.000 0.000 0.208 179 E C -0.542 176.089 176.600 0.052 0.000 1.414 179 E CA 0.801 57.229 56.400 0.047 0.000 0.696 179 E CB -0.407 29.281 29.700 -0.021 0.000 1.080 179 E HN 0.407 nan 8.360 nan 0.000 0.332 180 R N 0.118 120.650 120.500 0.054 0.000 2.638 180 R HA 0.203 4.543 4.340 -0.000 0.000 0.261 180 R C -0.248 176.114 176.300 0.104 0.000 1.515 180 R CA -0.239 55.900 56.100 0.064 0.000 1.623 180 R CB 0.401 30.711 30.300 0.017 0.000 1.347 180 R HN 0.260 nan 8.270 nan 0.000 0.705 181 C N -0.917 118.435 119.300 0.086 0.000 2.668 181 C HA 0.763 5.223 4.460 -0.000 0.000 0.355 181 C C 0.954 175.962 174.990 0.030 0.000 1.277 181 C CA -1.207 57.866 59.018 0.093 0.000 1.787 181 C CB 0.678 28.430 27.740 0.019 0.000 2.233 181 C HN 0.636 nan 8.230 nan 0.000 0.495 182 I N -0.801 119.812 120.570 0.070 0.000 2.834 182 I HA 0.463 4.633 4.170 -0.000 0.000 0.305 182 I C -0.574 175.552 176.117 0.015 0.000 1.008 182 I CA -0.350 61.037 61.300 0.146 0.000 1.273 182 I CB 0.472 38.607 38.000 0.225 0.000 1.432 182 I HN 0.670 nan 8.210 nan 0.000 0.557 183 H N 3.390 122.519 119.070 0.098 0.000 2.638 183 H HA 0.333 4.889 4.556 -0.000 0.000 0.242 183 H C 0.289 175.669 175.328 0.086 0.000 1.610 183 H CA -0.780 55.297 56.048 0.049 0.000 1.275 183 H CB 0.140 29.813 29.762 -0.148 0.000 1.583 183 H HN 0.840 nan 8.280 nan 0.000 0.556 184 C N 0.757 120.192 119.300 0.224 0.000 2.551 184 C HA 0.474 4.934 4.460 -0.000 0.000 0.377 184 C C 1.335 176.506 174.990 0.301 0.000 1.622 184 C CA -0.657 58.489 59.018 0.213 0.000 1.980 184 C CB 1.305 29.136 27.740 0.151 0.000 1.946 184 C HN 0.788 nan 8.230 nan 0.000 0.525 185 K N -1.149 119.404 120.400 0.256 0.000 2.477 185 K HA 0.223 4.543 4.320 -0.000 0.000 0.208 185 K C 2.175 178.878 176.600 0.171 0.000 1.117 185 K CA -0.253 56.214 56.287 0.301 0.000 1.039 185 K CB 0.021 32.700 32.500 0.298 0.000 0.937 185 K HN 0.629 nan 8.250 nan 0.000 0.570 186 R N 0.247 120.830 120.500 0.138 0.000 2.227 186 R HA -0.320 4.020 4.340 -0.000 0.000 0.259 186 R C 2.440 178.794 176.300 0.089 0.000 1.139 186 R CA 2.406 58.569 56.100 0.105 0.000 0.969 186 R CB -1.125 29.212 30.300 0.061 0.000 0.903 186 R HN 0.470 nan 8.270 nan 0.000 0.452 187 C N -0.731 118.598 119.300 0.049 0.000 2.518 187 C HA 0.071 4.530 4.460 -0.000 0.000 0.279 187 C C 2.758 177.794 174.990 0.076 0.000 1.279 187 C CA 0.272 59.290 59.018 -0.001 0.000 1.703 187 C CB -1.241 26.483 27.740 -0.026 0.000 2.072 187 C HN 0.418 nan 8.230 nan 0.000 0.487 188 V N 1.466 121.406 119.914 0.043 0.000 2.358 188 V HA -0.136 3.984 4.120 -0.000 0.000 0.246 188 V C 2.841 178.996 176.094 0.101 0.000 1.047 188 V CA 2.367 64.707 62.300 0.067 0.000 1.035 188 V CB -1.221 30.492 31.823 -0.183 0.000 0.658 188 V HN 0.627 nan 8.190 nan 0.000 0.452 189 R N -0.344 120.204 120.500 0.080 0.000 2.097 189 R HA -0.242 4.098 4.340 -0.000 0.000 0.236 189 R C 2.337 178.684 176.300 0.078 0.000 1.135 189 R CA 2.393 58.544 56.100 0.086 0.000 0.934 189 R CB -1.059 29.307 30.300 0.111 0.000 0.846 189 R HN 0.697 nan 8.270 nan 0.000 0.431 190 Y N 0.437 120.712 120.300 -0.041 0.000 2.014 190 Y HA -0.331 4.219 4.550 -0.000 0.000 0.272 190 Y C 1.800 177.626 175.900 -0.124 0.000 1.164 190 Y CA 2.180 60.194 58.100 -0.143 0.000 1.114 190 Y CB -0.907 37.386 38.460 -0.279 0.000 0.961 190 Y HN 0.092 nan 8.280 nan 0.000 0.489 191 F N 1.008 120.840 119.950 -0.197 0.000 2.063 191 F HA -0.284 4.243 4.527 -0.000 0.000 0.298 191 F C 2.614 178.254 175.800 -0.267 0.000 1.105 191 F CA 2.252 60.081 58.000 -0.287 0.000 1.215 191 F CB -1.309 37.668 39.000 -0.039 0.000 0.972 191 F HN 0.426 nan 8.300 nan 0.000 0.483 192 E N -0.093 120.139 120.200 0.054 0.000 2.338 192 E HA -0.161 4.189 4.350 -0.000 0.000 0.197 192 E C 1.623 178.183 176.600 -0.066 0.000 1.007 192 E CA 1.665 58.064 56.400 -0.002 0.000 0.849 192 E CB -0.395 29.306 29.700 0.003 0.000 0.774 192 E HN 0.553 nan 8.360 nan 0.000 0.506 193 E N -0.383 119.736 120.200 -0.134 0.000 2.132 193 E HA 0.032 4.382 4.350 -0.000 0.000 0.193 193 E C 1.894 178.357 176.600 -0.229 0.000 0.951 193 E CA 0.820 57.126 56.400 -0.156 0.000 0.843 193 E CB 0.356 30.000 29.700 -0.094 0.000 0.807 193 E HN 0.146 nan 8.360 nan 0.000 0.467 194 V N 1.940 121.576 119.914 -0.463 0.000 2.278 194 V HA -0.073 4.047 4.120 -0.000 0.000 0.238 194 V C -0.970 174.877 176.094 -0.410 0.000 1.039 194 V CA 1.303 63.281 62.300 -0.538 0.000 1.017 194 V CB -1.387 29.820 31.823 -1.027 0.000 0.657 194 V HN 0.203 nan 8.190 nan 0.000 0.462 195 P HA -0.003 nan 4.420 nan 0.000 0.220 195 P C 1.202 178.548 177.300 0.077 0.000 1.152 195 P CA 1.970 64.842 63.100 -0.380 0.000 0.812 195 P CB 0.003 31.547 31.700 -0.260 0.000 0.792 196 G N 0.098 108.954 108.800 0.093 0.000 2.132 196 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.234 196 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.234 196 G C -0.489 174.515 174.900 0.174 0.000 0.989 196 G CA -0.127 45.133 45.100 0.266 0.000 0.676 196 G HN 0.352 nan 8.290 nan 0.000 0.522 197 D N 1.215 121.661 120.400 0.076 0.000 2.460 197 D HA 0.344 4.984 4.640 -0.000 0.000 0.268 197 D C 0.058 176.252 176.300 -0.176 0.000 1.153 197 D CA -0.356 53.636 54.000 -0.014 0.000 0.929 197 D CB 0.705 41.504 40.800 -0.003 0.000 1.015 197 D HN 0.475 nan 8.370 nan 0.000 0.502 198 E N 0.558 120.683 120.200 -0.125 0.000 2.161 198 E HA 0.105 4.455 4.350 -0.000 0.000 0.263 198 E C 1.008 177.427 176.600 -0.301 0.000 1.185 198 E CA -0.058 56.238 56.400 -0.173 0.000 0.938 198 E CB 0.547 30.202 29.700 -0.075 0.000 1.023 198 E HN 0.237 nan 8.360 nan 0.000 0.433 199 V N 1.145 120.716 119.914 -0.571 0.000 3.017 199 V HA 0.450 4.570 4.120 -0.000 0.000 0.354 199 V C -0.463 175.398 176.094 -0.388 0.000 1.389 199 V CA -0.650 61.350 62.300 -0.500 0.000 1.163 199 V CB -0.203 31.260 31.823 -0.601 0.000 1.178 199 V HN 0.341 nan 8.190 nan 0.000 0.547 200 L N 0.582 121.662 121.223 -0.239 0.000 2.592 200 L HA 0.884 5.224 4.340 -0.000 0.000 0.258 200 L C -1.428 175.371 176.870 -0.118 0.000 0.926 200 L CA 0.301 55.090 54.840 -0.085 0.000 0.885 200 L CB 2.228 44.370 42.059 0.139 0.000 1.380 200 L HN 0.358 nan 8.230 nan 0.000 0.415 201 D N 0.806 121.096 120.400 -0.183 0.000 2.738 201 D HA 0.386 5.026 4.640 -0.000 0.000 0.308 201 D C -1.321 174.786 176.300 -0.322 0.000 1.311 201 D CA -0.257 53.557 54.000 -0.309 0.000 0.799 201 D CB 1.428 42.132 40.800 -0.161 0.000 1.332 201 D HN 0.090 nan 8.370 nan 0.000 0.441 202 F N 0.546 120.491 119.950 -0.008 0.000 2.378 202 F HA 0.475 5.002 4.527 -0.000 0.000 0.319 202 F C 0.654 176.348 175.800 -0.176 0.000 1.155 202 F CA -0.369 57.595 58.000 -0.060 0.000 1.157 202 F CB 0.560 39.553 39.000 -0.012 0.000 1.252 202 F HN 0.060 nan 8.300 nan 0.000 0.550 203 I N 0.721 121.182 120.570 -0.181 0.000 2.533 203 I HA 0.334 4.504 4.170 -0.000 0.000 0.290 203 I C -0.128 175.732 176.117 -0.428 0.000 1.056 203 I CA -1.075 59.977 61.300 -0.414 0.000 1.057 203 I CB 0.919 38.444 38.000 -0.793 0.000 1.240 203 I HN 0.763 nan 8.210 nan 0.000 0.423 204 E N 3.645 123.728 120.200 -0.195 0.000 6.884 204 E HA -0.198 4.152 4.350 -0.000 0.000 0.172 204 E C -0.420 176.147 176.600 -0.055 0.000 1.455 204 E CA 0.378 56.722 56.400 -0.093 0.000 2.484 204 E CB -0.037 29.625 29.700 -0.063 0.000 1.770 204 E HN 0.832 nan 8.360 nan 0.000 0.475 205 R N -0.606 119.893 120.500 -0.003 0.000 2.795 205 R HA 0.728 5.068 4.340 -0.000 0.000 0.268 205 R C 0.337 176.631 176.300 -0.010 0.000 1.041 205 R CA -0.473 55.611 56.100 -0.026 0.000 0.927 205 R CB 1.357 31.637 30.300 -0.033 0.000 1.235 205 R HN 1.250 nan 8.270 nan 0.000 0.463 206 G N -0.185 108.555 108.800 -0.099 0.000 2.593 206 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.237 206 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.237 206 G C 0.582 175.332 174.900 -0.250 0.000 1.312 206 G CA 0.008 45.019 45.100 -0.149 0.000 0.896 206 G HN 1.362 nan 8.290 nan 0.000 0.574 207 V N -1.689 118.001 119.914 -0.373 0.000 3.440 207 V HA 0.028 4.148 4.120 -0.000 0.000 0.274 207 V C 1.690 177.519 176.094 -0.442 0.000 1.207 207 V CA 2.399 64.434 62.300 -0.442 0.000 1.183 207 V CB -1.003 30.539 31.823 -0.468 0.000 0.837 207 V HN 0.739 nan 8.190 nan 0.000 0.532 208 H N 0.226 119.297 119.070 0.002 0.000 2.885 208 H HA 0.166 4.722 4.556 -0.000 0.000 0.260 208 H C 1.554 176.989 175.328 0.179 0.000 0.985 208 H CA 0.680 56.796 56.048 0.114 0.000 1.210 208 H CB 0.160 29.982 29.762 0.100 0.000 1.466 208 H HN 0.644 nan 8.280 nan 0.000 0.493 209 T N 1.109 115.730 114.554 0.111 0.000 2.923 209 T HA 0.136 4.486 4.350 -0.000 0.000 0.304 209 T C 0.113 174.986 174.700 0.289 0.000 1.044 209 T CA -0.036 62.087 62.100 0.039 0.000 1.141 209 T CB -0.273 68.528 68.868 -0.112 0.000 1.023 209 T HN 0.225 nan 8.240 nan 0.000 0.533 210 F N 1.140 121.262 119.950 0.287 0.000 2.824 210 F HA 0.716 5.243 4.527 -0.000 0.000 0.330 210 F C 0.319 176.320 175.800 0.336 0.000 1.175 210 F CA -1.868 56.308 58.000 0.294 0.000 0.974 210 F CB 0.301 39.415 39.000 0.190 0.000 1.430 210 F HN 0.339 nan 8.300 nan 0.000 0.507 211 I N 1.533 122.459 120.570 0.593 0.000 3.684 211 I HA 0.297 4.467 4.170 -0.000 0.000 0.304 211 I C 1.558 177.822 176.117 0.244 0.000 1.278 211 I CA 0.170 61.672 61.300 0.336 0.000 1.272 211 I CB -1.028 37.106 38.000 0.224 0.000 1.029 211 I HN 0.863 nan 8.210 nan 0.000 0.458 212 G N 0.345 109.396 108.800 0.417 0.000 3.748 212 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.279 212 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.279 212 G C 0.209 175.135 174.900 0.043 0.000 1.302 212 G CA 0.686 45.936 45.100 0.250 0.000 0.919 212 G HN 0.370 nan 8.290 nan 0.000 0.638 213 T N -2.015 112.511 114.554 -0.046 0.000 2.681 213 T HA 0.597 4.947 4.350 -0.000 0.000 0.296 213 T C 0.353 174.818 174.700 -0.391 0.000 1.157 213 T CA -0.625 61.346 62.100 -0.215 0.000 1.025 213 T CB 1.371 70.073 68.868 -0.277 0.000 1.441 213 T HN 0.364 nan 8.240 nan 0.000 0.504 214 M N 0.756 120.028 119.600 -0.548 0.000 2.227 214 M HA 0.252 4.731 4.480 -0.000 0.000 0.422 214 M C -1.066 174.875 176.300 -0.599 0.000 0.947 214 M CA 0.193 55.126 55.300 -0.610 0.000 1.034 214 M CB 0.370 32.868 32.600 -0.170 0.000 2.060 214 M HN 0.506 nan 8.290 nan 0.000 0.689 215 D N 0.349 120.425 120.400 -0.540 0.000 2.863 215 D HA 0.290 4.930 4.640 -0.000 0.000 0.323 215 D C 0.826 176.986 176.300 -0.233 0.000 1.286 215 D CA -0.247 53.607 54.000 -0.243 0.000 0.921 215 D CB -0.040 40.656 40.800 -0.174 0.000 1.024 215 D HN -0.045 nan 8.370 nan 0.000 0.505 216 F N 0.797 120.743 119.950 -0.007 0.000 2.094 216 F HA -0.268 4.259 4.527 -0.000 0.000 0.296 216 F C 2.542 178.349 175.800 0.012 0.000 1.070 216 F CA 1.587 59.591 58.000 0.007 0.000 1.255 216 F CB -0.675 38.330 39.000 0.009 0.000 1.000 216 F HN 0.381 nan 8.300 nan 0.000 0.490 217 G N -0.465 108.426 108.800 0.152 0.000 2.985 217 G HA2 0.213 4.173 3.960 -0.000 0.000 0.209 217 G HA3 0.213 4.173 3.960 -0.000 0.000 0.209 217 G C 0.529 175.476 174.900 0.078 0.000 1.165 217 G CA -0.099 45.066 45.100 0.109 0.000 0.776 217 G HN 0.331 nan 8.290 nan 0.000 0.541 218 L N -0.923 120.317 121.223 0.028 0.000 3.632 218 L HA -0.148 4.192 4.340 -0.000 0.000 0.510 218 L C -0.892 176.003 176.870 0.042 0.000 1.299 218 L CA 0.012 54.858 54.840 0.009 0.000 0.829 218 L CB -1.461 40.647 42.059 0.082 0.000 1.559 218 L HN 0.209 nan 8.230 nan 0.000 0.857 219 P HA -0.233 nan 4.420 nan 0.000 0.224 219 P C 1.093 178.436 177.300 0.072 0.000 1.153 219 P CA 2.207 65.330 63.100 0.039 0.000 0.947 219 P CB 0.079 31.780 31.700 0.002 0.000 0.790 220 S N -0.953 114.789 115.700 0.071 0.000 2.576 220 S HA 0.350 4.819 4.470 -0.000 0.000 0.272 220 S C 0.827 175.504 174.600 0.128 0.000 1.352 220 S CA -0.292 57.987 58.200 0.132 0.000 1.021 220 S CB 0.362 63.676 63.200 0.190 0.000 0.887 220 S HN 0.253 nan 8.310 nan 0.000 0.542 221 G N -0.159 108.651 108.800 0.018 0.000 2.535 221 G HA2 0.474 4.434 3.960 -0.000 0.000 0.282 221 G HA3 0.474 4.434 3.960 -0.000 0.000 0.282 221 G C -0.370 174.402 174.900 -0.214 0.000 1.350 221 G CA -0.816 44.085 45.100 -0.332 0.000 1.039 221 G HN 1.019 nan 8.290 nan 0.000 0.509 222 F N -1.324 118.626 119.950 -0.001 0.000 3.034 222 F HA -0.273 4.254 4.527 -0.000 0.000 0.286 222 F C 2.144 178.035 175.800 0.150 0.000 0.804 222 F CA 0.843 58.860 58.000 0.029 0.000 1.161 222 F CB -2.190 36.782 39.000 -0.047 0.000 1.317 222 F HN 0.465 nan 8.300 nan 0.000 0.453 223 S N -0.811 115.061 115.700 0.287 0.000 2.458 223 S HA 0.193 4.663 4.470 -0.000 0.000 0.223 223 S C 2.303 176.998 174.600 0.158 0.000 1.019 223 S CA 0.545 58.945 58.200 0.334 0.000 0.937 223 S CB -0.391 63.028 63.200 0.365 0.000 0.788 223 S HN 0.568 nan 8.310 nan 0.000 0.511 224 G N 3.136 112.048 108.800 0.187 0.000 2.469 224 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.219 224 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.219 224 G C 1.464 176.353 174.900 -0.019 0.000 1.150 224 G CA 1.076 46.278 45.100 0.170 0.000 0.763 224 G HN 0.559 nan 8.290 nan 0.000 0.561 225 N N 1.280 119.915 118.700 -0.108 0.000 2.133 225 N HA -0.193 4.547 4.740 -0.000 0.000 0.193 225 N C 2.332 177.620 175.510 -0.370 0.000 1.012 225 N CA 1.692 54.622 53.050 -0.200 0.000 0.871 225 N CB -0.422 37.915 38.487 -0.250 0.000 1.011 225 N HN 0.688 nan 8.380 nan 0.000 0.435 226 I N -1.260 119.002 120.570 -0.513 0.000 2.530 226 I HA -0.160 4.010 4.170 -0.000 0.000 0.257 226 I C 1.763 177.777 176.117 -0.171 0.000 1.179 226 I CA 1.174 62.222 61.300 -0.420 0.000 1.440 226 I CB -0.833 36.939 38.000 -0.380 0.000 1.087 226 I HN -0.118 nan 8.210 nan 0.000 0.440 227 T N 1.277 115.781 114.554 -0.083 0.000 2.737 227 T HA -0.139 4.211 4.350 -0.000 0.000 0.265 227 T C 1.401 176.084 174.700 -0.028 0.000 1.038 227 T CA 2.040 64.135 62.100 -0.008 0.000 1.144 227 T CB -0.337 68.575 68.868 0.073 0.000 0.866 227 T HN 0.411 nan 8.240 nan 0.000 0.434 228 D N 0.601 120.974 120.400 -0.045 0.000 2.264 228 D HA 0.044 4.684 4.640 -0.000 0.000 0.208 228 D C 1.861 178.126 176.300 -0.058 0.000 0.966 228 D CA 0.599 54.572 54.000 -0.046 0.000 0.864 228 D CB -0.143 40.629 40.800 -0.047 0.000 0.933 228 D HN 0.426 nan 8.370 nan 0.000 0.499 229 I N -0.487 120.039 120.570 -0.074 0.000 2.731 229 I HA -0.024 4.145 4.170 -0.000 0.000 0.260 229 I C 0.984 177.061 176.117 -0.066 0.000 1.138 229 I CA -0.128 61.135 61.300 -0.062 0.000 1.461 229 I CB -0.073 37.896 38.000 -0.051 0.000 1.128 229 I HN -0.034 nan 8.210 nan 0.000 0.438 230 C N 5.831 125.092 119.300 -0.065 0.000 2.531 230 C HA 0.020 4.480 4.460 -0.000 0.000 0.401 230 C C -0.421 174.528 174.990 -0.068 0.000 1.473 230 C CA -1.105 57.883 59.018 -0.050 0.000 1.472 230 C CB -0.412 27.314 27.740 -0.024 0.000 2.429 230 C HN 0.273 nan 8.230 nan 0.000 0.620 231 P HA 0.007 nan 4.420 nan 0.000 0.244 231 P C 0.174 177.379 177.300 -0.158 0.000 1.211 231 P CA 1.008 63.989 63.100 -0.198 0.000 0.760 231 P CB -0.176 31.300 31.700 -0.372 0.000 0.961 232 V N -3.190 116.687 119.914 -0.062 0.000 3.089 232 V HA 0.588 4.708 4.120 -0.000 0.000 0.312 232 V C 1.851 177.979 176.094 0.057 0.000 1.433 232 V CA -0.221 62.086 62.300 0.011 0.000 1.025 232 V CB 0.182 32.036 31.823 0.052 0.000 1.077 232 V HN -0.121 nan 8.190 nan 0.000 0.478 233 G N -0.714 108.152 108.800 0.110 0.000 2.494 233 G HA2 0.325 4.285 3.960 -0.000 0.000 0.216 233 G HA3 0.325 4.285 3.960 -0.000 0.000 0.216 233 G C 0.700 175.653 174.900 0.088 0.000 1.140 233 G CA 0.809 45.973 45.100 0.107 0.000 0.801 233 G HN 1.176 nan 8.290 nan 0.000 0.536 234 A N -0.143 122.728 122.820 0.085 0.000 2.366 234 A HA 0.540 4.860 4.320 -0.000 0.000 0.250 234 A C 0.826 178.446 177.584 0.060 0.000 1.099 234 A CA -0.303 51.778 52.037 0.073 0.000 0.794 234 A CB 0.054 19.098 19.000 0.073 0.000 1.056 234 A HN 0.731 nan 8.150 nan 0.000 0.499 235 L N -0.785 120.472 121.223 0.058 0.000 3.671 235 L HA -0.158 4.182 4.340 -0.000 0.000 0.609 235 L C -0.724 176.171 176.870 0.040 0.000 1.251 235 L CA 0.509 55.376 54.840 0.045 0.000 0.934 235 L CB -2.035 40.042 42.059 0.029 0.000 1.496 235 L HN 0.621 nan 8.230 nan 0.000 0.854 236 L N 0.568 121.818 121.223 0.044 0.000 2.333 236 L HA 0.470 4.810 4.340 -0.000 0.000 0.269 236 L C 0.706 177.607 176.870 0.051 0.000 1.010 236 L CA -0.761 54.108 54.840 0.048 0.000 0.818 236 L CB 2.092 44.179 42.059 0.046 0.000 1.306 236 L HN 0.162 nan 8.230 nan 0.000 0.430 237 D N 2.239 122.689 120.400 0.083 0.000 2.348 237 D HA -0.006 4.634 4.640 -0.000 0.000 0.259 237 D C 0.618 176.963 176.300 0.074 0.000 1.296 237 D CA -0.123 53.957 54.000 0.134 0.000 0.931 237 D CB 1.195 42.124 40.800 0.214 0.000 1.067 237 D HN 0.342 nan 8.370 nan 0.000 0.503 238 L N 4.295 125.521 121.223 0.006 0.000 2.291 238 L HA -0.050 4.290 4.340 -0.000 0.000 0.214 238 L C 2.083 178.972 176.870 0.032 0.000 1.120 238 L CA 1.416 56.245 54.840 -0.018 0.000 0.799 238 L CB -0.848 41.182 42.059 -0.048 0.000 0.925 238 L HN 0.418 nan 8.230 nan 0.000 0.446 239 T N -0.546 114.059 114.554 0.086 0.000 2.822 239 T HA -0.093 4.256 4.350 -0.000 0.000 0.270 239 T C 1.048 175.878 174.700 0.217 0.000 1.064 239 T CA 1.281 63.504 62.100 0.204 0.000 1.131 239 T CB -0.196 68.927 68.868 0.425 0.000 0.858 239 T HN 0.517 nan 8.240 nan 0.000 0.483 240 A N 1.057 123.975 122.820 0.164 0.000 2.806 240 A HA 0.437 4.757 4.320 -0.000 0.000 0.266 240 A C 0.373 178.000 177.584 0.072 0.000 0.926 240 A CA -0.700 51.407 52.037 0.116 0.000 1.068 240 A CB 0.059 19.120 19.000 0.102 0.000 1.189 240 A HN 0.559 nan 8.150 nan 0.000 0.481 241 R N -0.775 119.743 120.500 0.030 0.000 2.582 241 R HA 0.430 4.770 4.340 -0.000 0.000 0.271 241 R C -0.669 175.696 176.300 0.108 0.000 1.078 241 R CA -0.353 55.742 56.100 -0.009 0.000 1.127 241 R CB -0.001 30.168 30.300 -0.219 0.000 1.038 241 R HN 0.229 nan 8.270 nan 0.000 0.500 242 F N 1.155 121.092 119.950 -0.023 0.000 2.594 242 F HA -0.247 4.280 4.527 -0.000 0.000 0.208 242 F C 0.531 176.307 175.800 -0.041 0.000 1.032 242 F CA 0.537 58.515 58.000 -0.037 0.000 0.877 242 F CB -1.070 37.909 39.000 -0.035 0.000 0.814 242 F HN 0.804 nan 8.300 nan 0.000 0.844 243 R N -0.279 120.289 120.500 0.113 0.000 2.197 243 R HA 0.700 5.040 4.340 -0.000 0.000 0.188 243 R C 0.731 177.011 176.300 -0.033 0.000 1.015 243 R CA 0.932 57.051 56.100 0.032 0.000 1.132 243 R CB 0.554 30.863 30.300 0.015 0.000 1.134 243 R HN 0.316 nan 8.270 nan 0.000 0.560 244 A N 0.910 123.686 122.820 -0.073 0.000 2.586 244 A HA 0.619 4.939 4.320 -0.000 0.000 0.290 244 A C -1.285 176.152 177.584 -0.246 0.000 1.086 244 A CA -0.823 51.119 52.037 -0.158 0.000 0.665 244 A CB 1.328 20.236 19.000 -0.154 0.000 1.279 244 A HN -0.065 nan 8.150 nan 0.000 0.423 245 R N 1.276 121.513 120.500 -0.438 0.000 2.441 245 R HA 0.279 4.619 4.340 -0.000 0.000 0.284 245 R C 0.944 176.813 176.300 -0.718 0.000 1.070 245 R CA -0.734 54.947 56.100 -0.698 0.000 1.047 245 R CB 0.364 29.911 30.300 -1.256 0.000 1.016 245 R HN 0.818 nan 8.270 nan 0.000 0.477 246 N N 1.747 120.163 118.700 -0.473 0.000 2.111 246 N HA -0.252 4.488 4.740 -0.000 0.000 0.197 246 N C 1.675 177.114 175.510 -0.118 0.000 1.011 246 N CA 2.335 55.264 53.050 -0.202 0.000 0.880 246 N CB -0.229 38.251 38.487 -0.012 0.000 1.031 246 N HN 0.706 nan 8.380 nan 0.000 0.444 247 W N 1.612 122.913 121.300 0.002 0.000 2.418 247 W HA 0.113 4.773 4.660 -0.000 0.000 0.292 247 W C 1.804 178.321 176.519 -0.004 0.000 1.213 247 W CA 0.234 57.579 57.345 -0.000 0.000 1.283 247 W CB -0.820 28.640 29.460 0.001 0.000 1.119 247 W HN -0.051 nan 8.180 nan 0.000 0.542 248 E N 0.869 120.799 120.200 -0.450 0.000 2.171 248 E HA -0.178 4.172 4.350 -0.000 0.000 0.197 248 E C 1.329 177.872 176.600 -0.096 0.000 0.997 248 E CA 0.908 57.185 56.400 -0.204 0.000 0.810 248 E CB -0.415 29.069 29.700 -0.360 0.000 0.738 248 E HN 0.238 nan 8.360 nan 0.000 0.467 249 M N 0.968 120.495 119.600 -0.121 0.000 2.252 249 M HA 0.006 4.485 4.480 -0.000 0.000 0.321 249 M C 0.434 176.718 176.300 -0.027 0.000 1.070 249 M CA 0.755 56.010 55.300 -0.075 0.000 1.143 249 M CB 0.181 32.734 32.600 -0.079 0.000 1.498 249 M HN -0.058 nan 8.290 nan 0.000 0.445 250 E N 2.030 122.211 120.200 -0.032 0.000 2.070 250 E HA 0.187 4.537 4.350 -0.000 0.000 0.261 250 E C -0.946 175.642 176.600 -0.020 0.000 0.926 250 E CA -0.205 56.186 56.400 -0.015 0.000 0.760 250 E CB 0.625 30.314 29.700 -0.019 0.000 1.133 250 E HN 0.502 nan 8.360 nan 0.000 0.420 251 E N 2.659 122.855 120.200 -0.006 0.000 2.351 251 E HA 0.079 4.429 4.350 -0.000 0.000 0.266 251 E C -0.807 175.792 176.600 -0.001 0.000 1.031 251 E CA 0.423 56.819 56.400 -0.006 0.000 0.911 251 E CB 0.951 30.655 29.700 0.006 0.000 0.986 251 E HN 0.310 nan 8.360 nan 0.000 0.446 252 T N 4.898 119.450 114.554 -0.004 0.000 2.963 252 T HA 0.278 4.628 4.350 -0.000 0.000 0.328 252 T C -2.467 172.249 174.700 0.027 0.000 1.048 252 T CA -1.555 60.551 62.100 0.010 0.000 1.033 252 T CB 1.230 70.100 68.868 0.004 0.000 1.010 252 T HN 0.288 nan 8.240 nan 0.000 0.469 253 P HA 0.461 nan 4.420 nan 0.000 0.286 253 P C -0.407 176.930 177.300 0.061 0.000 1.269 253 P CA 0.030 63.155 63.100 0.042 0.000 0.787 253 P CB 1.763 33.480 31.700 0.029 0.000 0.920 254 T N 1.157 115.762 114.554 0.084 0.000 2.630 254 T HA 0.397 4.747 4.350 -0.000 0.000 0.300 254 T C -1.142 173.615 174.700 0.094 0.000 1.261 254 T CA -0.184 61.974 62.100 0.098 0.000 1.060 254 T CB 0.764 69.716 68.868 0.141 0.000 1.670 254 T HN 0.257 nan 8.240 nan 0.000 0.473 255 T N 1.217 115.825 114.554 0.090 0.000 2.807 255 T HA 0.471 4.821 4.350 -0.000 0.000 0.279 255 T C -0.282 174.421 174.700 0.004 0.000 0.993 255 T CA -0.341 61.779 62.100 0.034 0.000 0.970 255 T CB 0.643 69.500 68.868 -0.019 0.000 0.950 255 T HN 0.807 nan 8.240 nan 0.000 0.441 256 C N 3.859 123.153 119.300 -0.009 0.000 2.629 256 C HA 0.667 5.127 4.460 -0.000 0.000 0.410 256 C C 1.025 175.740 174.990 -0.459 0.000 1.339 256 C CA -0.409 58.544 59.018 -0.108 0.000 1.810 256 C CB -1.688 26.082 27.740 0.050 0.000 2.549 256 C HN 0.935 nan 8.230 nan 0.000 0.589 257 A N 6.333 128.434 122.820 -1.198 0.000 3.201 257 A HA 0.440 4.760 4.320 -0.000 0.000 0.312 257 A C 0.608 177.780 177.584 -0.688 0.000 1.011 257 A CA -0.285 51.202 52.037 -0.916 0.000 0.987 257 A CB -0.196 18.237 19.000 -0.945 0.000 1.060 257 A HN 0.969 nan 8.150 nan 0.000 0.505 258 L N -0.269 120.763 121.223 -0.319 0.000 2.513 258 L HA 0.160 4.500 4.340 -0.000 0.000 0.222 258 L C 0.904 177.785 176.870 0.017 0.000 1.096 258 L CA 0.491 55.330 54.840 -0.002 0.000 0.857 258 L CB 0.492 42.593 42.059 0.069 0.000 1.026 258 L HN 0.842 nan 8.230 nan 0.000 0.469 259 C N -4.722 114.550 119.300 -0.047 0.000 3.336 259 C HA 0.464 4.924 4.460 -0.000 0.000 0.339 259 C C -1.836 173.126 174.990 -0.046 0.000 1.468 259 C CA -1.235 57.762 59.018 -0.034 0.000 1.287 259 C CB 0.938 28.651 27.740 -0.046 0.000 1.682 259 C HN -0.141 nan 8.230 nan 0.000 0.451 260 P HA -0.073 nan 4.420 nan 0.000 0.217 260 P C 1.807 179.086 177.300 -0.035 0.000 1.150 260 P CA 2.526 65.606 63.100 -0.032 0.000 0.832 260 P CB -0.087 31.601 31.700 -0.020 0.000 0.787 261 V N -3.055 116.843 119.914 -0.027 0.000 2.828 261 V HA -0.013 4.107 4.120 -0.000 0.000 0.260 261 V C 1.362 177.439 176.094 -0.028 0.000 1.101 261 V CA 1.030 63.321 62.300 -0.016 0.000 1.123 261 V CB -2.209 29.619 31.823 0.007 0.000 0.704 261 V HN 0.273 nan 8.190 nan 0.000 0.493 262 G N 0.311 109.078 108.800 -0.055 0.000 2.306 262 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.274 262 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.274 262 G C 0.329 175.206 174.900 -0.039 0.000 0.890 262 G CA 0.365 45.422 45.100 -0.072 0.000 1.298 262 G HN 0.810 nan 8.290 nan 0.000 0.445 263 C N -0.249 119.037 119.300 -0.023 0.000 2.978 263 C HA 0.577 5.037 4.460 -0.000 0.000 0.253 263 C C 1.684 176.672 174.990 -0.004 0.000 1.533 263 C CA 0.526 59.543 59.018 -0.002 0.000 1.858 263 C CB -0.017 27.734 27.740 0.019 0.000 2.015 263 C HN 1.232 nan 8.230 nan 0.000 0.643 264 G N -0.114 108.686 108.800 0.000 0.000 2.609 264 G HA2 0.706 4.666 3.960 -0.000 0.000 0.308 264 G HA3 0.706 4.666 3.960 -0.000 0.000 0.308 264 G C -0.935 173.974 174.900 0.016 0.000 1.369 264 G CA -0.349 44.753 45.100 0.004 0.000 0.958 264 G HN 0.849 nan 8.290 nan 0.000 0.499 265 I N -1.211 119.386 120.570 0.046 0.000 3.466 265 I HA 0.895 5.065 4.170 -0.000 0.000 0.311 265 I C -0.796 175.353 176.117 0.053 0.000 1.155 265 I CA -1.219 60.115 61.300 0.056 0.000 0.959 265 I CB 2.439 40.507 38.000 0.113 0.000 1.332 265 I HN 0.322 nan 8.210 nan 0.000 0.483 266 T N 1.483 116.061 114.554 0.040 0.000 2.991 266 T HA 0.705 5.055 4.350 -0.000 0.000 0.303 266 T C -0.692 174.009 174.700 0.002 0.000 1.015 266 T CA -0.462 61.651 62.100 0.022 0.000 1.007 266 T CB 1.580 70.449 68.868 0.002 0.000 1.034 266 T HN 0.864 nan 8.240 nan 0.000 0.446 267 A N 2.774 125.589 122.820 -0.008 0.000 2.258 267 A HA 0.622 4.942 4.320 -0.000 0.000 0.316 267 A C -0.451 177.072 177.584 -0.101 0.000 1.279 267 A CA -0.788 51.199 52.037 -0.084 0.000 0.876 267 A CB 0.236 19.172 19.000 -0.107 0.000 1.170 267 A HN 0.718 nan 8.150 nan 0.000 0.520 268 D N 2.861 123.185 120.400 -0.127 0.000 2.317 268 D HA 0.425 5.065 4.640 -0.000 0.000 0.252 268 D C 0.225 176.443 176.300 -0.138 0.000 1.174 268 D CA 0.740 54.675 54.000 -0.110 0.000 0.866 268 D CB 1.222 41.963 40.800 -0.099 0.000 1.127 268 D HN 0.590 nan 8.370 nan 0.000 0.467 269 T N -0.121 114.370 114.554 -0.105 0.000 2.909 269 T HA 0.699 5.049 4.350 -0.000 0.000 0.299 269 T C -0.310 174.344 174.700 -0.076 0.000 1.073 269 T CA -1.154 60.883 62.100 -0.105 0.000 0.999 269 T CB 2.452 71.259 68.868 -0.101 0.000 1.098 269 T HN 0.336 nan 8.240 nan 0.000 0.477 270 R N 1.249 121.706 120.500 -0.072 0.000 2.510 270 R HA 0.517 4.856 4.340 -0.000 0.000 0.287 270 R C -0.727 175.545 176.300 -0.046 0.000 1.084 270 R CA -0.327 55.740 56.100 -0.056 0.000 0.934 270 R CB 1.079 31.341 30.300 -0.064 0.000 1.201 270 R HN 0.899 nan 8.270 nan 0.000 0.431 271 S N 2.616 118.296 115.700 -0.035 0.000 3.783 271 S HA -0.162 4.308 4.470 -0.000 0.000 0.360 271 S C 0.928 175.510 174.600 -0.031 0.000 1.006 271 S CA 1.226 59.410 58.200 -0.028 0.000 1.115 271 S CB -1.370 61.816 63.200 -0.025 0.000 0.893 271 S HN 1.317 nan 8.310 nan 0.000 0.475 272 G N 0.220 108.999 108.800 -0.035 0.000 2.220 272 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.269 272 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.269 272 G C -0.233 174.636 174.900 -0.052 0.000 0.977 272 G CA 0.939 46.016 45.100 -0.038 0.000 0.634 272 G HN 1.050 nan 8.290 nan 0.000 0.539 273 E N -0.268 119.897 120.200 -0.058 0.000 2.212 273 E HA 0.722 5.072 4.350 -0.000 0.000 0.270 273 E C -0.647 175.889 176.600 -0.106 0.000 0.956 273 E CA -1.392 54.965 56.400 -0.072 0.000 0.825 273 E CB 2.106 31.775 29.700 -0.051 0.000 1.167 273 E HN 0.230 nan 8.360 nan 0.000 0.400 274 L N 3.615 124.754 121.223 -0.140 0.000 2.255 274 L HA 0.113 4.453 4.340 -0.000 0.000 0.289 274 L C 0.021 176.763 176.870 -0.214 0.000 1.046 274 L CA -0.376 54.332 54.840 -0.219 0.000 0.816 274 L CB 0.713 42.581 42.059 -0.317 0.000 1.197 274 L HN 0.755 nan 8.230 nan 0.000 0.427 275 L N 4.492 125.589 121.223 -0.210 0.000 2.145 275 L HA 0.236 4.576 4.340 -0.000 0.000 0.201 275 L C 1.035 177.765 176.870 -0.234 0.000 1.075 275 L CA 0.988 55.732 54.840 -0.161 0.000 0.773 275 L CB -0.830 41.166 42.059 -0.105 0.000 0.936 275 L HN 0.811 nan 8.230 nan 0.000 0.451 276 R N -1.437 118.863 120.500 -0.333 0.000 2.741 276 R HA 0.515 4.855 4.340 -0.000 0.000 0.274 276 R C -1.670 174.440 176.300 -0.316 0.000 1.029 276 R CA -0.742 55.162 56.100 -0.327 0.000 0.880 276 R CB 1.391 31.652 30.300 -0.065 0.000 1.264 276 R HN -0.211 nan 8.270 nan 0.000 0.465 277 I N 1.012 121.481 120.570 -0.168 0.000 2.646 277 I HA 0.598 4.768 4.170 -0.000 0.000 0.299 277 I C -0.100 175.987 176.117 -0.051 0.000 1.036 277 I CA -0.865 60.376 61.300 -0.099 0.000 1.074 277 I CB 1.925 39.916 38.000 -0.016 0.000 1.258 277 I HN 0.671 nan 8.210 nan 0.000 0.430 278 R N 2.175 122.652 120.500 -0.039 0.000 2.855 278 R HA 0.827 5.167 4.340 -0.000 0.000 0.266 278 R C -0.888 175.395 176.300 -0.029 0.000 1.034 278 R CA -1.017 55.060 56.100 -0.038 0.000 0.944 278 R CB 2.347 32.628 30.300 -0.032 0.000 1.219 278 R HN 0.705 nan 8.270 nan 0.000 0.474 279 A N 1.429 124.224 122.820 -0.042 0.000 2.309 279 A HA 0.422 4.742 4.320 -0.000 0.000 0.298 279 A C -0.314 177.236 177.584 -0.057 0.000 1.165 279 A CA -0.361 51.649 52.037 -0.045 0.000 0.821 279 A CB 0.530 19.494 19.000 -0.061 0.000 1.102 279 A HN 0.653 nan 8.150 nan 0.000 0.500 280 R N 2.070 122.542 120.500 -0.046 0.000 2.338 280 R HA 0.272 4.612 4.340 -0.000 0.000 0.317 280 R C -0.245 176.012 176.300 -0.072 0.000 0.968 280 R CA -0.375 55.699 56.100 -0.044 0.000 0.849 280 R CB 0.773 31.064 30.300 -0.014 0.000 1.128 280 R HN 0.879 nan 8.270 nan 0.000 0.448 281 E N 3.521 123.670 120.200 -0.086 0.000 2.351 281 E HA 0.037 4.387 4.350 -0.000 0.000 0.266 281 E C -1.252 175.306 176.600 -0.070 0.000 1.031 281 E CA 0.058 56.392 56.400 -0.109 0.000 0.911 281 E CB 1.004 30.647 29.700 -0.095 0.000 0.986 281 E HN 0.368 nan 8.360 nan 0.000 0.446 282 V N 7.234 127.101 119.914 -0.078 0.000 2.564 282 V HA 0.208 4.328 4.120 -0.000 0.000 0.259 282 V C -2.292 173.779 176.094 -0.039 0.000 0.936 282 V CA -1.640 60.633 62.300 -0.045 0.000 0.867 282 V CB 1.292 33.095 31.823 -0.034 0.000 1.076 282 V HN 0.642 nan 8.190 nan 0.000 0.476 283 P HA -0.259 nan 4.420 nan 0.000 0.220 283 P C 1.519 178.828 177.300 0.015 0.000 1.155 283 P CA 2.318 65.424 63.100 0.011 0.000 0.880 283 P CB 0.263 31.977 31.700 0.023 0.000 0.790 284 E N -0.639 119.564 120.200 0.006 0.000 2.023 284 E HA -0.135 4.215 4.350 -0.000 0.000 0.196 284 E C 2.015 178.620 176.600 0.009 0.000 1.003 284 E CA 1.322 57.727 56.400 0.008 0.000 0.809 284 E CB -1.460 28.241 29.700 0.001 0.000 0.755 284 E HN 0.226 nan 8.360 nan 0.000 0.449 285 V N 1.474 121.388 119.914 0.001 0.000 3.793 285 V HA 0.048 4.168 4.120 -0.000 0.000 0.191 285 V C 0.563 176.661 176.094 0.007 0.000 1.187 285 V CA 0.339 62.642 62.300 0.004 0.000 1.444 285 V CB -0.049 31.772 31.823 -0.004 0.000 1.591 285 V HN 0.371 nan 8.190 nan 0.000 0.465 286 N N 0.422 119.122 118.700 0.000 0.000 2.412 286 N HA -0.081 4.659 4.740 -0.000 0.000 0.254 286 N C 0.673 176.154 175.510 -0.048 0.000 1.232 286 N CA 0.627 53.679 53.050 0.004 0.000 0.880 286 N CB 1.024 39.510 38.487 -0.003 0.000 1.076 286 N HN 0.602 nan 8.380 nan 0.000 0.458 287 E N 3.207 123.357 120.200 -0.083 0.000 2.014 287 E HA -0.015 4.335 4.350 -0.000 0.000 0.190 287 E C 1.285 177.608 176.600 -0.462 0.000 0.980 287 E CA 1.159 57.406 56.400 -0.254 0.000 0.807 287 E CB 0.153 29.660 29.700 -0.321 0.000 0.770 287 E HN 0.762 nan 8.360 nan 0.000 0.451 288 I N -1.544 118.603 120.570 -0.705 0.000 3.911 288 I HA 0.096 4.266 4.170 -0.000 0.000 0.388 288 I C -1.285 174.427 176.117 -0.676 0.000 1.051 288 I CA -0.127 60.737 61.300 -0.727 0.000 1.133 288 I CB -0.474 36.964 38.000 -0.938 0.000 2.780 288 I HN 0.068 nan 8.210 nan 0.000 0.838 289 W N 2.141 123.394 121.300 -0.079 0.000 2.367 289 W HA 0.691 5.351 4.660 -0.000 0.000 0.369 289 W C -0.102 176.411 176.519 -0.009 0.000 1.276 289 W CA -0.929 56.402 57.345 -0.024 0.000 1.415 289 W CB 1.080 30.556 29.460 0.027 0.000 1.306 289 W HN -0.213 nan 8.180 nan 0.000 0.669 290 I N 2.084 122.836 120.570 0.303 0.000 2.715 290 I HA 0.043 4.213 4.170 -0.000 0.000 0.288 290 I C 0.078 176.227 176.117 0.054 0.000 1.371 290 I CA -1.298 60.072 61.300 0.116 0.000 1.056 290 I CB 0.328 38.329 38.000 0.001 0.000 1.339 290 I HN 0.688 nan 8.210 nan 0.000 0.425 291 C N 3.860 123.146 119.300 -0.024 0.000 2.745 291 C HA 0.252 4.712 4.460 -0.000 0.000 0.387 291 C C 1.656 176.421 174.990 -0.375 0.000 1.312 291 C CA -0.107 58.728 59.018 -0.305 0.000 2.204 291 C CB 0.537 28.019 27.740 -0.429 0.000 2.686 291 C HN 0.811 nan 8.230 nan 0.000 0.705 292 D N 1.512 121.638 120.400 -0.456 0.000 2.117 292 D HA -0.068 4.572 4.640 -0.000 0.000 0.198 292 D C 2.356 178.356 176.300 -0.501 0.000 0.982 292 D CA 2.023 55.804 54.000 -0.365 0.000 0.828 292 D CB -0.640 40.135 40.800 -0.040 0.000 0.967 292 D HN 0.848 nan 8.370 nan 0.000 0.464 293 A N 1.051 123.276 122.820 -0.992 0.000 1.917 293 A HA -0.099 4.221 4.320 -0.000 0.000 0.219 293 A C 2.383 179.727 177.584 -0.400 0.000 1.182 293 A CA 2.252 53.437 52.037 -1.420 0.000 0.633 293 A CB -1.044 17.127 19.000 -1.382 0.000 0.819 293 A HN 0.330 nan 8.150 nan 0.000 0.448 294 G N -1.106 107.544 108.800 -0.250 0.000 2.430 294 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.216 294 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.216 294 G C 1.705 176.649 174.900 0.073 0.000 1.146 294 G CA 0.845 45.955 45.100 0.017 0.000 0.793 294 G HN 0.577 nan 8.290 nan 0.000 0.537 295 R N -0.615 119.788 120.500 -0.161 0.000 2.062 295 R HA 0.074 4.414 4.340 -0.000 0.000 0.226 295 R C 1.578 177.776 176.300 -0.170 0.000 1.125 295 R CA 1.061 56.984 56.100 -0.295 0.000 0.966 295 R CB -0.258 29.594 30.300 -0.747 0.000 0.861 295 R HN 0.331 nan 8.270 nan 0.000 0.433 296 F N -0.153 119.913 119.950 0.194 0.000 2.727 296 F HA 0.354 4.880 4.527 -0.000 0.000 0.302 296 F C 1.184 177.162 175.800 0.297 0.000 1.097 296 F CA 0.004 58.170 58.000 0.276 0.000 1.330 296 F CB 0.458 39.636 39.000 0.297 0.000 1.084 296 F HN 0.050 nan 8.300 nan 0.000 0.578 297 G N 0.713 109.828 108.800 0.524 0.000 3.343 297 G HA2 0.188 4.148 3.960 -0.000 0.000 0.279 297 G HA3 0.188 4.148 3.960 -0.000 0.000 0.279 297 G C 0.486 175.768 174.900 0.637 0.000 0.919 297 G CA -0.064 45.397 45.100 0.601 0.000 1.812 297 G HN 0.648 nan 8.290 nan 0.000 0.584 298 H N -1.361 117.995 119.070 0.477 0.000 3.650 298 H HA 0.201 4.756 4.556 -0.000 0.000 0.260 298 H C 0.572 175.898 175.328 -0.003 0.000 1.194 298 H CA -0.235 55.877 56.048 0.107 0.000 1.135 298 H CB 0.399 30.089 29.762 -0.119 0.000 1.612 298 H HN 0.302 nan 8.280 nan 0.000 0.703 299 E N 1.799 122.042 120.200 0.072 0.000 2.160 299 E HA -0.123 4.227 4.350 -0.000 0.000 0.195 299 E C 1.780 178.505 176.600 0.208 0.000 0.991 299 E CA 1.559 58.032 56.400 0.121 0.000 0.810 299 E CB -0.171 29.572 29.700 0.071 0.000 0.742 299 E HN 0.743 nan 8.360 nan 0.000 0.466 300 W N 0.470 121.838 121.300 0.113 0.000 2.441 300 W HA 0.191 4.851 4.660 -0.000 0.000 0.302 300 W C 2.040 178.715 176.519 0.261 0.000 1.191 300 W CA 0.817 58.269 57.345 0.177 0.000 1.327 300 W CB -1.360 28.198 29.460 0.164 0.000 1.128 300 W HN -0.025 nan 8.180 nan 0.000 0.522 301 A N 1.487 123.886 122.820 -0.701 0.000 1.908 301 A HA -0.264 4.055 4.320 -0.000 0.000 0.218 301 A C 1.918 179.392 177.584 -0.183 0.000 1.181 301 A CA 2.381 54.132 52.037 -0.476 0.000 0.627 301 A CB -1.238 17.272 19.000 -0.816 0.000 0.818 301 A HN 0.231 nan 8.150 nan 0.000 0.445 302 D N -0.671 119.619 120.400 -0.183 0.000 2.204 302 D HA -0.144 4.496 4.640 -0.000 0.000 0.189 302 D C 1.372 177.657 176.300 -0.026 0.000 1.006 302 D CA 1.266 55.217 54.000 -0.082 0.000 0.855 302 D CB -0.044 40.752 40.800 -0.007 0.000 0.946 302 D HN 0.418 nan 8.370 nan 0.000 0.448 303 Q N 0.082 119.898 119.800 0.028 0.000 2.270 303 Q HA 0.142 4.482 4.340 -0.000 0.000 0.167 303 Q C 0.051 176.072 176.000 0.034 0.000 1.023 303 Q CA -0.606 55.224 55.803 0.044 0.000 1.070 303 Q CB -0.421 28.361 28.738 0.073 0.000 1.504 303 Q HN 0.163 nan 8.270 nan 0.000 0.536 304 N N 1.996 120.716 118.700 0.033 0.000 1.661 304 N HA -0.212 4.528 4.740 -0.000 0.000 0.331 304 N C -0.131 175.289 175.510 -0.151 0.000 1.293 304 N CA 1.039 54.084 53.050 -0.008 0.000 0.828 304 N CB 0.025 38.538 38.487 0.044 0.000 1.096 304 N HN 0.322 nan 8.380 nan 0.000 0.505 305 R N 1.513 121.900 120.500 -0.188 0.000 2.781 305 R HA 0.428 4.768 4.340 -0.000 0.000 0.269 305 R C -1.204 175.012 176.300 -0.139 0.000 1.025 305 R CA -0.875 55.011 56.100 -0.355 0.000 0.914 305 R CB 1.057 31.184 30.300 -0.289 0.000 1.236 305 R HN 0.291 nan 8.270 nan 0.000 0.465 306 L N 2.345 123.516 121.223 -0.086 0.000 2.305 306 L HA 0.359 4.699 4.340 -0.000 0.000 0.281 306 L C -0.341 176.566 176.870 0.062 0.000 1.085 306 L CA 0.522 55.376 54.840 0.024 0.000 0.813 306 L CB 1.155 43.263 42.059 0.081 0.000 1.157 306 L HN 0.717 nan 8.230 nan 0.000 0.436 307 K N 1.224 121.667 120.400 0.072 0.000 2.464 307 K HA 0.244 4.564 4.320 -0.000 0.000 0.206 307 K C -0.162 176.521 176.600 0.139 0.000 1.186 307 K CA 0.451 56.798 56.287 0.100 0.000 0.990 307 K CB 0.471 33.012 32.500 0.068 0.000 1.003 307 K HN 0.686 nan 8.250 nan 0.000 0.562 308 T N 0.107 114.726 114.554 0.108 0.000 2.848 308 T HA 0.428 4.777 4.350 -0.000 0.000 0.285 308 T C -2.997 171.723 174.700 0.032 0.000 0.995 308 T CA -2.606 59.551 62.100 0.096 0.000 0.970 308 T CB 2.024 70.931 68.868 0.065 0.000 0.976 308 T HN -0.215 nan 8.240 nan 0.000 0.441 309 P HA 0.194 nan 4.420 nan 0.000 0.267 309 P C -0.527 176.715 177.300 -0.097 0.000 1.209 309 P CA -0.326 62.664 63.100 -0.183 0.000 0.763 309 P CB 0.671 32.035 31.700 -0.561 0.000 0.816 310 L N 3.679 124.878 121.223 -0.040 0.000 2.343 310 L HA 0.599 4.939 4.340 -0.000 0.000 0.275 310 L C 0.554 177.420 176.870 -0.006 0.000 1.056 310 L CA -0.900 53.935 54.840 -0.009 0.000 0.804 310 L CB 1.828 43.901 42.059 0.022 0.000 1.203 310 L HN 0.192 nan 8.230 nan 0.000 0.440 311 V N 3.367 123.283 119.914 0.003 0.000 2.841 311 V HA 0.418 4.537 4.120 -0.000 0.000 0.310 311 V C -0.475 175.631 176.094 0.019 0.000 1.090 311 V CA -0.794 61.518 62.300 0.020 0.000 0.930 311 V CB 2.336 34.165 31.823 0.010 0.000 1.014 311 V HN 0.830 nan 8.190 nan 0.000 0.425 312 R N 4.883 125.399 120.500 0.027 0.000 2.272 312 R HA 0.418 4.757 4.340 -0.000 0.000 0.334 312 R C -0.484 175.799 176.300 -0.028 0.000 1.117 312 R CA -0.061 56.036 56.100 -0.006 0.000 0.966 312 R CB 0.148 30.432 30.300 -0.027 0.000 1.049 312 R HN 0.699 nan 8.270 nan 0.000 0.477 313 K N 3.407 123.793 120.400 -0.023 0.000 2.507 313 K HA 0.111 4.431 4.320 -0.000 0.000 0.251 313 K C -0.914 175.671 176.600 -0.025 0.000 0.943 313 K CA -0.459 55.811 56.287 -0.027 0.000 0.794 313 K CB 1.067 33.555 32.500 -0.019 0.000 1.188 313 K HN 0.584 nan 8.250 nan 0.000 0.428 314 E N 2.146 122.327 120.200 -0.031 0.000 2.833 314 E HA -0.154 4.195 4.350 -0.000 0.000 0.289 314 E C 0.286 176.869 176.600 -0.029 0.000 0.980 314 E CA 0.963 57.348 56.400 -0.026 0.000 0.897 314 E CB -1.617 28.073 29.700 -0.018 0.000 1.440 314 E HN 1.201 nan 8.360 nan 0.000 0.410 315 G N 0.497 109.274 108.800 -0.039 0.000 2.166 315 G HA2 -0.398 3.562 3.960 -0.000 0.000 0.260 315 G HA3 -0.398 3.562 3.960 -0.000 0.000 0.260 315 G C 0.291 175.170 174.900 -0.035 0.000 0.986 315 G CA 1.527 46.602 45.100 -0.042 0.000 0.683 315 G HN 0.599 nan 8.290 nan 0.000 0.527 316 R N -1.689 118.795 120.500 -0.026 0.000 2.817 316 R HA 0.827 5.167 4.340 -0.000 0.000 0.268 316 R C -0.614 175.682 176.300 -0.005 0.000 1.027 316 R CA -1.340 54.751 56.100 -0.014 0.000 0.928 316 R CB 0.977 31.271 30.300 -0.009 0.000 1.228 316 R HN 0.014 nan 8.270 nan 0.000 0.469 317 L N 1.957 123.184 121.223 0.006 0.000 2.292 317 L HA 0.550 4.890 4.340 -0.000 0.000 0.284 317 L C -0.602 176.275 176.870 0.012 0.000 1.065 317 L CA -0.588 54.262 54.840 0.016 0.000 0.806 317 L CB 1.421 43.498 42.059 0.030 0.000 1.175 317 L HN 0.499 nan 8.230 nan 0.000 0.431 318 V N 2.818 122.737 119.914 0.010 0.000 2.888 318 V HA 0.273 4.392 4.120 -0.000 0.000 0.309 318 V C -0.119 175.978 176.094 0.005 0.000 1.114 318 V CA -1.126 61.179 62.300 0.008 0.000 0.940 318 V CB 2.408 34.233 31.823 0.003 0.000 1.021 318 V HN 0.780 nan 8.190 nan 0.000 0.426 319 E N 3.200 123.404 120.200 0.008 0.000 2.436 319 E HA 0.472 4.822 4.350 -0.000 0.000 0.262 319 E C -0.024 176.575 176.600 -0.002 0.000 1.063 319 E CA 0.147 56.550 56.400 0.005 0.000 0.944 319 E CB 1.127 30.837 29.700 0.016 0.000 0.950 319 E HN 0.878 nan 8.360 nan 0.000 0.444 320 A N 1.826 124.637 122.820 -0.015 0.000 2.733 320 A HA 0.712 5.032 4.320 -0.000 0.000 0.299 320 A C -0.741 176.837 177.584 -0.011 0.000 1.252 320 A CA -0.528 51.498 52.037 -0.018 0.000 0.677 320 A CB 1.313 20.288 19.000 -0.041 0.000 1.361 320 A HN 0.591 nan 8.150 nan 0.000 0.528 321 T N -1.250 113.303 114.554 -0.002 0.000 2.916 321 T HA 0.388 4.738 4.350 -0.000 0.000 0.292 321 T C 0.161 174.878 174.700 0.029 0.000 1.055 321 T CA -0.303 61.834 62.100 0.062 0.000 1.009 321 T CB 1.040 69.972 68.868 0.107 0.000 1.118 321 T HN 0.581 nan 8.240 nan 0.000 0.497 322 W N 0.919 122.256 121.300 0.062 0.000 2.350 322 W HA -0.076 4.584 4.660 -0.000 0.000 0.289 322 W C 2.206 178.787 176.519 0.103 0.000 1.215 322 W CA 0.812 58.196 57.345 0.065 0.000 1.236 322 W CB -0.117 29.357 29.460 0.023 0.000 1.130 322 W HN 0.712 nan 8.180 nan 0.000 0.541 323 E N 0.413 120.777 120.200 0.274 0.000 2.017 323 E HA -0.188 4.162 4.350 -0.000 0.000 0.193 323 E C 1.823 178.551 176.600 0.214 0.000 0.997 323 E CA 1.544 58.087 56.400 0.240 0.000 0.804 323 E CB -0.826 28.975 29.700 0.169 0.000 0.757 323 E HN 0.437 nan 8.360 nan 0.000 0.448 324 E N 0.930 121.205 120.200 0.124 0.000 2.019 324 E HA -0.241 4.109 4.350 -0.000 0.000 0.208 324 E C 2.109 178.748 176.600 0.065 0.000 1.030 324 E CA 1.247 57.689 56.400 0.070 0.000 0.856 324 E CB -0.331 29.389 29.700 0.033 0.000 0.781 324 E HN 0.229 nan 8.360 nan 0.000 0.471 325 A N 1.240 124.070 122.820 0.016 0.000 1.969 325 A HA -0.289 4.031 4.320 -0.000 0.000 0.223 325 A C 2.036 179.681 177.584 0.102 0.000 1.218 325 A CA 2.137 54.168 52.037 -0.010 0.000 0.667 325 A CB -1.060 17.827 19.000 -0.188 0.000 0.826 325 A HN 0.397 nan 8.150 nan 0.000 0.472 326 F N 0.402 120.350 119.950 -0.003 0.000 2.069 326 F HA -0.148 4.379 4.527 -0.000 0.000 0.298 326 F C 2.013 177.829 175.800 0.026 0.000 1.113 326 F CA 1.758 59.782 58.000 0.040 0.000 1.214 326 F CB -0.680 38.368 39.000 0.082 0.000 0.978 326 F HN 0.181 nan 8.300 nan 0.000 0.474 327 L N 0.076 121.224 121.223 -0.126 0.000 1.989 327 L HA -0.206 4.133 4.340 -0.000 0.000 0.211 327 L C 2.716 179.472 176.870 -0.189 0.000 1.071 327 L CA 1.441 56.129 54.840 -0.254 0.000 0.749 327 L CB -1.418 40.579 42.059 -0.104 0.000 0.890 327 L HN 0.206 nan 8.230 nan 0.000 0.431 328 A N -0.650 122.118 122.820 -0.086 0.000 2.186 328 A HA -0.167 4.153 4.320 -0.000 0.000 0.219 328 A C 2.133 179.676 177.584 -0.069 0.000 1.159 328 A CA 1.360 53.355 52.037 -0.070 0.000 0.680 328 A CB -0.439 18.551 19.000 -0.017 0.000 0.787 328 A HN 0.359 nan 8.150 nan 0.000 0.467 329 L N -0.748 120.448 121.223 -0.045 0.000 2.130 329 L HA 0.107 4.447 4.340 -0.000 0.000 0.200 329 L C 2.234 179.031 176.870 -0.121 0.000 1.075 329 L CA 2.031 56.901 54.840 0.051 0.000 0.768 329 L CB -0.381 41.785 42.059 0.179 0.000 0.933 329 L HN 0.337 nan 8.230 nan 0.000 0.451 330 K N -0.185 120.063 120.400 -0.253 0.000 2.097 330 K HA -0.253 4.067 4.320 -0.000 0.000 0.206 330 K C 1.881 178.325 176.600 -0.260 0.000 1.049 330 K CA 1.731 57.848 56.287 -0.284 0.000 0.933 330 K CB -0.076 32.161 32.500 -0.439 0.000 0.717 330 K HN 0.442 nan 8.250 nan 0.000 0.442 331 E N -0.890 119.156 120.200 -0.257 0.000 2.516 331 E HA -0.070 4.280 4.350 -0.000 0.000 0.199 331 E C 1.120 177.545 176.600 -0.292 0.000 1.069 331 E CA 0.531 56.794 56.400 -0.229 0.000 0.876 331 E CB 0.118 29.710 29.700 -0.180 0.000 0.843 331 E HN 0.485 nan 8.360 nan 0.000 0.530 332 G N -0.343 108.186 108.800 -0.451 0.000 2.944 332 G HA2 0.078 4.038 3.960 -0.000 0.000 0.220 332 G HA3 0.078 4.038 3.960 -0.000 0.000 0.220 332 G C 1.099 175.607 174.900 -0.653 0.000 1.100 332 G CA -0.224 44.444 45.100 -0.719 0.000 0.780 332 G HN 0.169 nan 8.290 nan 0.000 0.539 333 L N -0.232 120.719 121.223 -0.454 0.000 2.766 333 L HA 0.342 4.682 4.340 -0.000 0.000 0.242 333 L C 1.161 177.851 176.870 -0.301 0.000 1.136 333 L CA 0.047 54.653 54.840 -0.390 0.000 0.933 333 L CB 0.571 42.508 42.059 -0.204 0.000 1.241 333 L HN -0.003 nan 8.230 nan 0.000 0.522 334 K N 1.719 121.973 120.400 -0.242 0.000 2.180 334 K HA 0.096 4.416 4.320 -0.000 0.000 0.250 334 K C 0.369 176.882 176.600 -0.144 0.000 1.135 334 K CA 0.259 56.446 56.287 -0.168 0.000 1.037 334 K CB 0.339 32.753 32.500 -0.144 0.000 1.624 334 K HN 0.188 nan 8.250 nan 0.000 0.382 335 E N 1.590 121.707 120.200 -0.139 0.000 1.669 335 E HA 0.079 4.429 4.350 -0.000 0.000 0.205 335 E C -1.403 175.168 176.600 -0.047 0.000 0.997 335 E CA 0.094 56.450 56.400 -0.074 0.000 1.175 335 E CB 0.442 30.111 29.700 -0.050 0.000 4.216 335 E HN 0.373 nan 8.360 nan 0.000 0.831 336 A N 1.493 124.235 122.820 -0.131 0.000 2.497 336 A HA 0.672 4.992 4.320 -0.000 0.000 0.280 336 A C -1.158 176.325 177.584 -0.169 0.000 1.065 336 A CA -0.591 51.399 52.037 -0.078 0.000 0.781 336 A CB 1.241 20.297 19.000 0.094 0.000 1.289 336 A HN 0.100 nan 8.150 nan 0.000 0.415 337 R N 1.707 122.161 120.500 -0.078 0.000 2.387 337 R HA 0.624 4.964 4.340 -0.000 0.000 0.314 337 R C 0.729 177.014 176.300 -0.024 0.000 0.958 337 R CA 0.609 56.667 56.100 -0.070 0.000 0.846 337 R CB 1.052 31.318 30.300 -0.056 0.000 1.147 337 R HN 2.171 nan 8.270 nan 0.000 0.447 338 G N 2.833 111.623 108.800 -0.017 0.000 2.305 338 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.287 338 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.287 338 G C -0.513 174.400 174.900 0.023 0.000 1.036 338 G CA 0.552 45.654 45.100 0.003 0.000 0.887 338 G HN 0.667 nan 8.290 nan 0.000 0.505 339 E N 0.507 120.745 120.200 0.062 0.000 2.373 339 E HA 0.296 4.646 4.350 -0.000 0.000 0.233 339 E C 0.391 177.068 176.600 0.129 0.000 1.035 339 E CA -0.406 56.053 56.400 0.099 0.000 0.930 339 E CB 0.212 29.999 29.700 0.146 0.000 1.278 339 E HN 0.557 nan 8.360 nan 0.000 0.452 340 E N 0.802 121.029 120.200 0.044 0.000 2.393 340 E HA -0.180 4.170 4.350 -0.000 0.000 0.169 340 E C -1.021 175.638 176.600 0.098 0.000 1.591 340 E CA -0.162 56.235 56.400 -0.005 0.000 0.661 340 E CB -0.380 29.362 29.700 0.071 0.000 1.097 340 E HN 0.141 nan 8.360 nan 0.000 0.356 341 V N 1.448 121.396 119.914 0.057 0.000 2.509 341 V HA 0.539 4.659 4.120 -0.000 0.000 0.284 341 V C 1.207 177.388 176.094 0.145 0.000 1.047 341 V CA 0.262 62.649 62.300 0.144 0.000 0.952 341 V CB 1.774 33.657 31.823 0.099 0.000 0.988 341 V HN 0.468 nan 8.190 nan 0.000 0.469 342 G N 4.428 113.363 108.800 0.224 0.000 2.332 342 G HA2 0.658 4.618 3.960 -0.000 0.000 0.310 342 G HA3 0.658 4.618 3.960 -0.000 0.000 0.310 342 G C -0.979 173.926 174.900 0.008 0.000 1.123 342 G CA -0.543 44.667 45.100 0.184 0.000 0.873 342 G HN 0.591 nan 8.290 nan 0.000 0.460 343 L N 1.959 123.039 121.223 -0.238 0.000 2.349 343 L HA 0.463 4.803 4.340 -0.000 0.000 0.278 343 L C -1.373 175.355 176.870 -0.236 0.000 0.996 343 L CA -0.869 53.948 54.840 -0.038 0.000 0.825 343 L CB 1.880 43.970 42.059 0.052 0.000 1.243 343 L HN 0.521 nan 8.230 nan 0.000 0.412 344 Y N 3.583 124.076 120.300 0.322 0.000 2.317 344 Y HA 0.469 5.019 4.550 -0.000 0.000 0.325 344 Y C -0.267 175.919 175.900 0.477 0.000 1.066 344 Y CA -0.640 57.723 58.100 0.438 0.000 1.203 344 Y CB 1.385 40.175 38.460 0.551 0.000 1.127 344 Y HN 0.347 nan 8.280 nan 0.000 0.451 345 L N 2.566 124.158 121.223 0.615 0.000 2.416 345 L HA 0.840 5.180 4.340 -0.000 0.000 0.262 345 L C 0.734 177.880 176.870 0.461 0.000 1.093 345 L CA -1.150 53.994 54.840 0.507 0.000 0.801 345 L CB 0.848 43.120 42.059 0.354 0.000 1.191 345 L HN 0.688 nan 8.230 nan 0.000 0.459 346 A N -0.014 123.005 122.820 0.332 0.000 2.313 346 A HA 0.131 4.451 4.320 -0.000 0.000 0.261 346 A C 1.167 178.716 177.584 -0.058 0.000 1.090 346 A CA -0.128 51.980 52.037 0.118 0.000 0.807 346 A CB 0.059 19.149 19.000 0.150 0.000 1.055 346 A HN 0.990 nan 8.150 nan 0.000 0.492 347 H N 0.374 119.295 119.070 -0.249 0.000 2.387 347 H HA -0.131 4.425 4.556 -0.000 0.000 0.299 347 H C 0.322 175.545 175.328 -0.174 0.000 1.090 347 H CA 1.725 57.635 56.048 -0.230 0.000 1.332 347 H CB -0.448 29.161 29.762 -0.256 0.000 1.386 347 H HN 0.713 nan 8.280 nan 0.000 0.516 348 D N 1.063 120.863 120.400 -1.000 0.000 2.519 348 D HA 0.349 4.989 4.640 -0.000 0.000 0.238 348 D C 0.271 176.400 176.300 -0.285 0.000 1.192 348 D CA -0.020 53.555 54.000 -0.709 0.000 0.835 348 D CB -0.079 40.333 40.800 -0.646 0.000 0.975 348 D HN 0.547 nan 8.370 nan 0.000 0.490 349 A N 0.857 123.550 122.820 -0.213 0.000 2.425 349 A HA 0.463 4.783 4.320 -0.000 0.000 0.249 349 A C 1.070 178.594 177.584 -0.100 0.000 1.084 349 A CA -0.390 51.594 52.037 -0.089 0.000 0.781 349 A CB 0.092 19.068 19.000 -0.041 0.000 1.019 349 A HN 0.421 nan 8.150 nan 0.000 0.490 350 T N 0.372 114.904 114.554 -0.036 0.000 2.766 350 T HA 0.220 4.570 4.350 -0.000 0.000 0.295 350 T C 1.099 175.785 174.700 -0.023 0.000 1.024 350 T CA -0.051 62.038 62.100 -0.017 0.000 1.018 350 T CB 0.291 69.174 68.868 0.025 0.000 1.002 350 T HN 0.517 nan 8.240 nan 0.000 0.532 351 L N 0.704 121.931 121.223 0.007 0.000 2.093 351 L HA 0.067 4.406 4.340 -0.000 0.000 0.208 351 L C 2.442 179.320 176.870 0.013 0.000 1.085 351 L CA 1.782 56.627 54.840 0.008 0.000 0.755 351 L CB -1.088 41.008 42.059 0.061 0.000 0.904 351 L HN 0.796 nan 8.230 nan 0.000 0.435 352 E N -0.351 119.872 120.200 0.039 0.000 2.016 352 E HA -0.174 4.175 4.350 -0.000 0.000 0.190 352 E C 2.079 178.668 176.600 -0.019 0.000 0.985 352 E CA 1.329 57.769 56.400 0.066 0.000 0.802 352 E CB -0.348 29.428 29.700 0.127 0.000 0.762 352 E HN 0.451 nan 8.360 nan 0.000 0.448 353 E N 0.166 120.367 120.200 0.003 0.000 2.187 353 E HA -0.213 4.136 4.350 -0.000 0.000 0.199 353 E C 2.002 178.573 176.600 -0.047 0.000 1.004 353 E CA 1.079 57.473 56.400 -0.011 0.000 0.813 353 E CB -0.299 29.427 29.700 0.043 0.000 0.736 353 E HN 0.385 nan 8.360 nan 0.000 0.468 354 G N 1.009 109.780 108.800 -0.048 0.000 2.424 354 G HA2 -0.218 3.741 3.960 -0.000 0.000 0.214 354 G HA3 -0.218 3.741 3.960 -0.000 0.000 0.214 354 G C 1.450 176.295 174.900 -0.090 0.000 1.202 354 G CA 0.438 45.512 45.100 -0.043 0.000 0.793 354 G HN 0.150 nan 8.290 nan 0.000 0.534 355 L N 0.590 121.741 121.223 -0.120 0.000 1.978 355 L HA -0.100 4.240 4.340 -0.000 0.000 0.218 355 L C 2.603 179.195 176.870 -0.463 0.000 1.075 355 L CA 2.123 56.856 54.840 -0.178 0.000 0.767 355 L CB -0.964 41.064 42.059 -0.051 0.000 0.890 355 L HN 0.232 nan 8.230 nan 0.000 0.434 356 L N 0.299 121.011 121.223 -0.852 0.000 1.951 356 L HA -0.247 4.093 4.340 -0.000 0.000 0.222 356 L C 2.556 179.147 176.870 -0.466 0.000 1.078 356 L CA 2.801 56.962 54.840 -1.131 0.000 0.778 356 L CB -1.583 40.004 42.059 -0.787 0.000 0.893 356 L HN 0.363 nan 8.230 nan 0.000 0.436 357 A N -1.287 121.384 122.820 -0.250 0.000 1.940 357 A HA -0.351 3.969 4.320 -0.000 0.000 0.221 357 A C 2.511 180.051 177.584 -0.075 0.000 1.190 357 A CA 2.775 54.752 52.037 -0.100 0.000 0.647 357 A CB -1.472 17.535 19.000 0.011 0.000 0.821 357 A HN 0.707 nan 8.150 nan 0.000 0.457 358 S N -0.955 114.695 115.700 -0.084 0.000 2.349 358 S HA -0.197 4.273 4.470 -0.000 0.000 0.216 358 S C 1.974 176.546 174.600 -0.046 0.000 1.033 358 S CA 1.537 59.715 58.200 -0.036 0.000 1.021 358 S CB -0.476 62.712 63.200 -0.021 0.000 0.968 358 S HN 0.572 nan 8.310 nan 0.000 0.426 359 E N 0.971 121.125 120.200 -0.076 0.000 2.136 359 E HA -0.205 4.145 4.350 -0.000 0.000 0.202 359 E C 2.071 178.664 176.600 -0.011 0.000 1.019 359 E CA 1.313 57.703 56.400 -0.017 0.000 0.819 359 E CB -0.790 28.933 29.700 0.038 0.000 0.739 359 E HN 0.550 nan 8.360 nan 0.000 0.458 360 L N 0.524 121.717 121.223 -0.050 0.000 2.083 360 L HA -0.046 4.294 4.340 -0.000 0.000 0.209 360 L C 2.127 178.988 176.870 -0.015 0.000 1.083 360 L CA 2.118 56.942 54.840 -0.026 0.000 0.752 360 L CB -0.514 41.516 42.059 -0.049 0.000 0.899 360 L HN 0.031 nan 8.230 nan 0.000 0.433 361 A N -0.958 121.850 122.820 -0.019 0.000 2.119 361 A HA -0.125 4.195 4.320 -0.000 0.000 0.216 361 A C 2.376 179.952 177.584 -0.013 0.000 1.152 361 A CA 1.372 53.398 52.037 -0.018 0.000 0.708 361 A CB -0.456 18.535 19.000 -0.013 0.000 0.805 361 A HN 0.528 nan 8.150 nan 0.000 0.460 362 K N -0.165 120.234 120.400 -0.002 0.000 2.021 362 K HA 0.070 4.390 4.320 -0.000 0.000 0.205 362 K C 2.222 178.826 176.600 0.007 0.000 1.047 362 K CA 0.981 57.272 56.287 0.007 0.000 0.943 362 K CB -0.326 32.185 32.500 0.018 0.000 0.725 362 K HN 0.280 nan 8.250 nan 0.000 0.439 363 A N 1.418 124.245 122.820 0.013 0.000 1.883 363 A HA -0.134 4.186 4.320 -0.000 0.000 0.217 363 A C 1.191 178.778 177.584 0.006 0.000 1.186 363 A CA 1.031 53.077 52.037 0.015 0.000 0.624 363 A CB -0.595 18.419 19.000 0.023 0.000 0.822 363 A HN 0.382 nan 8.150 nan 0.000 0.444 364 L N 0.582 121.804 121.223 -0.001 0.000 2.448 364 L HA 0.224 4.564 4.340 -0.000 0.000 0.278 364 L C 1.025 177.883 176.870 -0.021 0.000 1.201 364 L CA 0.286 55.121 54.840 -0.009 0.000 1.036 364 L CB -0.453 41.599 42.059 -0.011 0.000 1.325 364 L HN 0.301 nan 8.230 nan 0.000 0.441 365 K N 1.185 121.576 120.400 -0.016 0.000 2.366 365 K HA -0.112 4.207 4.320 -0.000 0.000 0.202 365 K C 0.122 176.698 176.600 -0.041 0.000 1.045 365 K CA 1.554 57.828 56.287 -0.020 0.000 0.934 365 K CB -0.120 32.374 32.500 -0.010 0.000 0.746 365 K HN 0.802 nan 8.250 nan 0.000 0.470 366 T N 1.015 115.535 114.554 -0.058 0.000 3.355 366 T HA 0.308 4.658 4.350 -0.000 0.000 0.376 366 T C -2.529 172.043 174.700 -0.214 0.000 1.683 366 T CA -1.585 60.452 62.100 -0.104 0.000 1.269 366 T CB 1.314 70.141 68.868 -0.067 0.000 1.158 366 T HN 0.052 nan 8.240 nan 0.000 0.703 367 P HA 0.692 nan 4.420 nan 0.000 0.308 367 P C -1.907 175.141 177.300 -0.419 0.000 1.236 367 P CA -0.865 62.023 63.100 -0.354 0.000 0.971 367 P CB 1.947 33.567 31.700 -0.134 0.000 1.399 368 H N -1.167 117.875 119.070 -0.047 0.000 5.312 368 H HA 0.322 4.878 4.556 -0.000 0.000 0.786 368 H C -0.793 174.427 175.328 -0.180 0.000 1.978 368 H CA -0.880 55.134 56.048 -0.056 0.000 1.573 368 H CB -1.692 28.063 29.762 -0.011 0.000 3.839 368 H HN 0.402 nan 8.280 nan 0.000 0.562 369 L N -0.868 120.361 121.223 0.011 0.000 2.397 369 L HA 1.019 5.359 4.340 -0.000 0.000 0.266 369 L C -0.688 176.173 176.870 -0.015 0.000 1.040 369 L CA -0.806 53.964 54.840 -0.116 0.000 0.800 369 L CB 1.888 43.950 42.059 0.005 0.000 1.324 369 L HN 0.423 nan 8.230 nan 0.000 0.469 370 D N -1.879 118.590 120.400 0.115 0.000 2.755 370 D HA 0.495 5.135 4.640 -0.000 0.000 0.277 370 D C -1.453 175.114 176.300 0.444 0.000 1.261 370 D CA -0.320 53.812 54.000 0.220 0.000 0.759 370 D CB 1.521 42.590 40.800 0.448 0.000 1.279 370 D HN 0.309 nan 8.370 nan 0.000 0.420 371 F N 0.778 120.858 119.950 0.216 0.000 2.411 371 F HA 0.373 4.899 4.527 -0.000 0.000 0.324 371 F C 2.003 177.582 175.800 -0.369 0.000 1.086 371 F CA -0.735 57.264 58.000 -0.002 0.000 1.028 371 F CB 0.236 39.189 39.000 -0.079 0.000 1.284 371 F HN 0.386 nan 8.300 nan 0.000 0.501 372 Q N 0.150 119.654 119.800 -0.493 0.000 2.508 372 Q HA 0.041 4.380 4.340 -0.000 0.000 0.214 372 Q C 0.754 175.668 176.000 -1.809 0.000 0.979 372 Q CA 1.385 56.248 55.803 -1.566 0.000 0.911 372 Q CB -0.188 27.630 28.738 -1.532 0.000 0.969 372 Q HN 0.991 nan 8.270 nan 0.000 0.504 373 G N 0.451 108.554 108.800 -1.162 0.000 4.818 373 G HA2 0.006 3.966 3.960 -0.000 0.000 0.253 373 G HA3 0.006 3.966 3.960 -0.000 0.000 0.253 373 G C -0.506 174.340 174.900 -0.089 0.000 0.986 373 G CA -0.686 43.877 45.100 -0.894 0.000 0.785 373 G HN 0.105 nan 8.290 nan 0.000 0.325 374 R N 2.122 122.633 120.500 0.017 0.000 2.481 374 R HA 0.016 4.356 4.340 -0.000 0.000 0.291 374 R C 0.092 176.571 176.300 0.298 0.000 0.934 374 R CA 1.082 57.261 56.100 0.131 0.000 1.116 374 R CB -0.166 29.901 30.300 -0.388 0.000 0.895 374 R HN 0.231 nan 8.270 nan 0.000 0.410 375 T N 1.604 116.290 114.554 0.219 0.000 2.897 375 T HA 0.354 4.704 4.350 -0.000 0.000 0.294 375 T C 1.623 176.415 174.700 0.153 0.000 1.004 375 T CA -0.292 61.921 62.100 0.188 0.000 1.106 375 T CB 1.652 70.605 68.868 0.142 0.000 0.949 375 T HN 0.575 nan 8.240 nan 0.000 0.520 376 A N 2.554 125.455 122.820 0.135 0.000 1.958 376 A HA 0.237 4.557 4.320 -0.000 0.000 0.221 376 A C 1.659 179.300 177.584 0.095 0.000 1.178 376 A CA 1.275 53.380 52.037 0.114 0.000 0.642 376 A CB -1.038 18.024 19.000 0.103 0.000 0.816 376 A HN 1.399 nan 8.150 nan 0.000 0.453 377 A N 0.296 123.178 122.820 0.104 0.000 2.280 377 A HA 0.597 4.916 4.320 -0.000 0.000 0.320 377 A C -2.724 174.962 177.584 0.170 0.000 1.366 377 A CA -1.777 50.335 52.037 0.125 0.000 0.938 377 A CB 0.092 19.187 19.000 0.158 0.000 1.157 377 A HN 0.167 nan 8.150 nan 0.000 0.536 378 P HA 0.053 nan 4.420 nan 0.000 0.262 378 P C 0.956 178.398 177.300 0.237 0.000 1.182 378 P CA 0.631 63.831 63.100 0.167 0.000 0.761 378 P CB 0.958 32.724 31.700 0.110 0.000 0.795 379 A N 3.134 126.107 122.820 0.256 0.000 2.067 379 A HA -0.130 4.190 4.320 -0.000 0.000 0.219 379 A C 1.973 179.733 177.584 0.293 0.000 1.158 379 A CA 1.475 53.691 52.037 0.298 0.000 0.661 379 A CB -1.146 17.964 19.000 0.185 0.000 0.801 379 A HN 0.493 nan 8.150 nan 0.000 0.452 380 S N 0.209 116.012 115.700 0.173 0.000 2.584 380 S HA -0.018 4.452 4.470 -0.000 0.000 0.240 380 S C 1.564 176.137 174.600 -0.046 0.000 0.975 380 S CA 0.403 58.625 58.200 0.036 0.000 0.949 380 S CB -0.264 62.877 63.200 -0.098 0.000 0.761 380 S HN 0.443 nan 8.310 nan 0.000 0.536 381 L N 0.392 121.610 121.223 -0.008 0.000 1.973 381 L HA 0.082 4.422 4.340 -0.000 0.000 0.208 381 L C 0.398 177.114 176.870 -0.257 0.000 1.073 381 L CA 1.436 56.120 54.840 -0.260 0.000 0.746 381 L CB -1.162 40.536 42.059 -0.601 0.000 0.891 381 L HN 0.298 nan 8.230 nan 0.000 0.433 382 F N 1.448 121.390 119.950 -0.014 0.000 2.443 382 F HA 0.259 4.785 4.527 -0.000 0.000 0.353 382 F C -1.631 174.170 175.800 0.002 0.000 1.101 382 F CA -3.183 54.817 58.000 -0.000 0.000 1.226 382 F CB -0.934 38.072 39.000 0.009 0.000 1.140 382 F HN 0.043 nan 8.300 nan 0.000 0.557 383 P HA 0.123 nan 4.420 nan 0.000 0.271 383 P C -2.666 174.701 177.300 0.111 0.000 1.226 383 P CA -1.355 61.809 63.100 0.106 0.000 0.765 383 P CB 0.402 32.148 31.700 0.078 0.000 0.835 384 P HA 0.010 nan 4.420 nan 0.000 0.260 384 P C -0.291 177.041 177.300 0.052 0.000 1.172 384 P CA 0.893 64.035 63.100 0.070 0.000 0.760 384 P CB 0.087 31.828 31.700 0.068 0.000 0.773 385 A N 3.103 125.945 122.820 0.036 0.000 2.324 385 A HA 0.589 4.909 4.320 -0.000 0.000 0.330 385 A C 0.214 177.801 177.584 0.005 0.000 1.165 385 A CA -0.361 51.688 52.037 0.019 0.000 0.813 385 A CB 0.913 19.918 19.000 0.008 0.000 1.197 385 A HN 0.425 nan 8.150 nan 0.000 0.484 386 S N 0.881 116.582 115.700 0.001 0.000 2.654 386 S HA 0.444 4.913 4.470 -0.000 0.000 0.283 386 S C 0.797 175.388 174.600 -0.015 0.000 1.180 386 S CA -0.652 57.547 58.200 -0.002 0.000 1.021 386 S CB 0.461 63.664 63.200 0.005 0.000 1.018 386 S HN 0.515 nan 8.310 nan 0.000 0.532 387 L N 2.960 124.177 121.223 -0.009 0.000 2.141 387 L HA 0.115 4.455 4.340 -0.000 0.000 0.209 387 L C 2.419 179.288 176.870 -0.001 0.000 1.094 387 L CA 1.605 56.439 54.840 -0.010 0.000 0.763 387 L CB -1.188 40.877 42.059 0.009 0.000 0.908 387 L HN 0.813 nan 8.230 nan 0.000 0.437 388 E N -0.021 120.184 120.200 0.007 0.000 2.038 388 E HA -0.212 4.138 4.350 -0.000 0.000 0.195 388 E C 1.834 178.439 176.600 0.008 0.000 1.000 388 E CA 1.638 58.047 56.400 0.013 0.000 0.803 388 E CB -0.055 29.652 29.700 0.012 0.000 0.750 388 E HN 0.422 nan 8.360 nan 0.000 0.448 389 D N 0.143 120.542 120.400 -0.002 0.000 2.106 389 D HA -0.198 4.441 4.640 -0.000 0.000 0.191 389 D C 2.094 178.376 176.300 -0.029 0.000 0.997 389 D CA 1.268 55.264 54.000 -0.007 0.000 0.834 389 D CB -0.624 40.172 40.800 -0.008 0.000 0.956 389 D HN 0.189 nan 8.370 nan 0.000 0.448 390 L N 1.233 122.411 121.223 -0.075 0.000 2.054 390 L HA -0.229 4.111 4.340 -0.000 0.000 0.220 390 L C 2.261 179.031 176.870 -0.167 0.000 1.081 390 L CA 1.577 56.302 54.840 -0.192 0.000 0.780 390 L CB -0.783 41.144 42.059 -0.220 0.000 0.893 390 L HN 0.063 nan 8.230 nan 0.000 0.438 391 L N -1.168 120.053 121.223 -0.003 0.000 2.131 391 L HA -0.220 4.120 4.340 -0.000 0.000 0.210 391 L C 2.379 179.373 176.870 0.206 0.000 1.092 391 L CA 1.363 56.299 54.840 0.160 0.000 0.759 391 L CB -0.443 41.686 42.059 0.117 0.000 0.903 391 L HN 0.477 nan 8.230 nan 0.000 0.435 392 Q N -0.405 119.459 119.800 0.108 0.000 2.360 392 Q HA 0.200 4.540 4.340 -0.000 0.000 0.202 392 Q C 0.804 176.872 176.000 0.114 0.000 0.915 392 Q CA -0.151 55.711 55.803 0.098 0.000 0.943 392 Q CB 0.359 29.127 28.738 0.049 0.000 1.064 392 Q HN 0.440 nan 8.270 nan 0.000 0.511 393 A N 1.039 123.937 122.820 0.131 0.000 2.346 393 A HA 0.001 4.321 4.320 -0.000 0.000 0.255 393 A C 0.411 178.155 177.584 0.267 0.000 1.113 393 A CA 0.053 52.163 52.037 0.121 0.000 0.798 393 A CB 0.307 19.295 19.000 -0.021 0.000 1.073 393 A HN 0.136 nan 8.150 nan 0.000 0.502 394 D N -1.850 118.677 120.400 0.211 0.000 2.449 394 D HA 0.285 4.925 4.640 -0.000 0.000 0.210 394 D C -0.896 175.623 176.300 0.365 0.000 1.094 394 D CA 0.851 54.979 54.000 0.213 0.000 0.846 394 D CB 0.639 41.492 40.800 0.089 0.000 1.003 394 D HN 0.319 nan 8.370 nan 0.000 0.504 395 F N 0.679 120.766 119.950 0.227 0.000 2.746 395 F HA 0.458 4.985 4.527 -0.000 0.000 0.311 395 F C -2.024 173.921 175.800 0.241 0.000 1.135 395 F CA -1.219 56.934 58.000 0.255 0.000 0.954 395 F CB 1.143 40.194 39.000 0.086 0.000 1.276 395 F HN -0.230 nan 8.300 nan 0.000 0.440 396 A N 4.808 127.136 122.820 -0.821 0.000 2.363 396 A HA 0.664 4.984 4.320 -0.000 0.000 0.296 396 A C -2.212 174.920 177.584 -0.752 0.000 1.237 396 A CA -0.550 51.137 52.037 -0.584 0.000 0.773 396 A CB 0.923 19.723 19.000 -0.334 0.000 1.153 396 A HN 0.873 nan 8.150 nan 0.000 0.473 397 L N 4.324 125.377 121.223 -0.283 0.000 2.260 397 L HA 0.663 5.003 4.340 -0.000 0.000 0.289 397 L C -0.773 176.089 176.870 -0.013 0.000 1.057 397 L CA 0.066 54.903 54.840 -0.005 0.000 0.811 397 L CB 1.043 43.318 42.059 0.360 0.000 1.184 397 L HN 0.388 nan 8.230 nan 0.000 0.429 398 V N 6.444 126.334 119.914 -0.041 0.000 2.715 398 V HA 0.462 4.582 4.120 -0.000 0.000 0.310 398 V C -0.183 175.930 176.094 0.032 0.000 1.054 398 V CA -0.464 61.812 62.300 -0.040 0.000 0.928 398 V CB 1.812 33.578 31.823 -0.095 0.000 1.007 398 V HN 0.621 nan 8.190 nan 0.000 0.437 399 L N 3.387 124.627 121.223 0.028 0.000 3.025 399 L HA 0.747 5.087 4.340 -0.000 0.000 0.307 399 L C 0.378 177.273 176.870 0.041 0.000 1.303 399 L CA 0.305 55.196 54.840 0.084 0.000 0.817 399 L CB 1.169 43.270 42.059 0.071 0.000 1.227 399 L HN 0.890 nan 8.230 nan 0.000 0.571 400 G N -0.731 108.063 108.800 -0.010 0.000 1.882 400 G HA2 0.102 4.062 3.960 -0.000 0.000 0.256 400 G HA3 0.102 4.062 3.960 -0.000 0.000 0.256 400 G C -1.020 173.845 174.900 -0.059 0.000 2.065 400 G CA -1.000 44.080 45.100 -0.035 0.000 0.882 400 G HN 0.019 nan 8.290 nan 0.000 0.574 401 D N 3.305 123.640 120.400 -0.109 0.000 6.160 401 D HA -0.040 4.600 4.640 -0.000 0.000 0.233 401 D C -0.504 175.801 176.300 0.009 0.000 1.525 401 D CA -0.555 53.414 54.000 -0.051 0.000 0.966 401 D CB 0.822 41.658 40.800 0.060 0.000 1.453 401 D HN 0.192 nan 8.370 nan 0.000 0.842 402 P HA -0.164 nan 4.420 nan 0.000 0.217 402 P C 1.273 178.625 177.300 0.086 0.000 1.148 402 P CA 1.239 64.346 63.100 0.012 0.000 0.828 402 P CB 0.112 31.799 31.700 -0.022 0.000 0.783 403 T N -0.816 113.816 114.554 0.131 0.000 2.897 403 T HA -0.137 4.213 4.350 -0.000 0.000 0.271 403 T C 1.315 176.096 174.700 0.135 0.000 1.084 403 T CA 1.224 63.475 62.100 0.251 0.000 1.123 403 T CB -0.358 68.700 68.868 0.316 0.000 0.865 403 T HN 0.275 nan 8.240 nan 0.000 0.496 404 E N -0.035 120.221 120.200 0.093 0.000 2.399 404 E HA 0.090 4.440 4.350 -0.000 0.000 0.205 404 E C 2.124 178.727 176.600 0.005 0.000 0.906 404 E CA 0.148 56.571 56.400 0.038 0.000 0.998 404 E CB 0.158 29.900 29.700 0.071 0.000 1.002 404 E HN 0.472 nan 8.360 nan 0.000 0.501 405 E N 1.482 121.694 120.200 0.019 0.000 2.005 405 E HA -0.013 4.337 4.350 -0.000 0.000 0.191 405 E C 0.693 177.288 176.600 -0.009 0.000 0.987 405 E CA 0.894 57.290 56.400 -0.007 0.000 0.814 405 E CB 0.147 29.842 29.700 -0.008 0.000 0.772 405 E HN 0.041 nan 8.360 nan 0.000 0.453 406 A N 1.299 124.128 122.820 0.015 0.000 3.159 406 A HA 0.392 4.711 4.320 -0.000 0.000 0.330 406 A C -2.104 175.531 177.584 0.084 0.000 1.032 406 A CA -1.264 50.788 52.037 0.024 0.000 0.841 406 A CB 0.704 19.710 19.000 0.010 0.000 1.093 406 A HN -0.108 nan 8.150 nan 0.000 0.478 407 P HA -0.289 nan 4.420 nan 0.000 0.227 407 P C 1.322 178.868 177.300 0.410 0.000 1.141 407 P CA 1.611 64.863 63.100 0.252 0.000 0.964 407 P CB 0.156 31.879 31.700 0.039 0.000 0.784 408 I N -1.824 118.911 120.570 0.275 0.000 2.700 408 I HA -0.163 4.007 4.170 -0.000 0.000 0.261 408 I C 2.097 178.294 176.117 0.134 0.000 1.219 408 I CA 1.062 62.494 61.300 0.220 0.000 1.463 408 I CB -0.817 37.285 38.000 0.170 0.000 1.092 408 I HN -0.058 nan 8.210 nan 0.000 0.452 409 L N -0.877 120.417 121.223 0.118 0.000 2.131 409 L HA -0.278 4.062 4.340 -0.000 0.000 0.210 409 L C 2.433 179.360 176.870 0.094 0.000 1.092 409 L CA 1.549 56.431 54.840 0.070 0.000 0.759 409 L CB -0.864 41.213 42.059 0.029 0.000 0.903 409 L HN 0.430 nan 8.230 nan 0.000 0.435 410 H N 0.494 119.554 119.070 -0.016 0.000 2.290 410 H HA -0.179 4.377 4.556 -0.000 0.000 0.298 410 H C 2.346 177.597 175.328 -0.128 0.000 1.087 410 H CA 1.564 57.554 56.048 -0.096 0.000 1.291 410 H CB 0.144 29.831 29.762 -0.125 0.000 1.369 410 H HN 0.203 nan 8.280 nan 0.000 0.492 411 L N 0.026 121.215 121.223 -0.058 0.000 2.265 411 L HA -0.132 4.208 4.340 -0.000 0.000 0.215 411 L C 2.586 179.498 176.870 0.071 0.000 1.117 411 L CA 0.581 55.342 54.840 -0.132 0.000 0.782 411 L CB -0.314 41.574 42.059 -0.285 0.000 0.914 411 L HN 0.297 nan 8.230 nan 0.000 0.441 412 R N 0.377 120.942 120.500 0.108 0.000 2.075 412 R HA 0.042 4.382 4.340 -0.000 0.000 0.226 412 R C 2.244 178.649 176.300 0.174 0.000 1.114 412 R CA 0.942 57.118 56.100 0.127 0.000 0.972 412 R CB -0.658 29.689 30.300 0.079 0.000 0.869 412 R HN 0.350 nan 8.270 nan 0.000 0.437 413 L N 0.639 121.974 121.223 0.187 0.000 2.131 413 L HA -0.137 4.202 4.340 -0.000 0.000 0.210 413 L C 2.568 179.682 176.870 0.406 0.000 1.092 413 L CA 1.192 56.220 54.840 0.314 0.000 0.759 413 L CB -0.533 41.665 42.059 0.233 0.000 0.903 413 L HN 0.196 nan 8.230 nan 0.000 0.435 414 S N 0.311 116.261 115.700 0.416 0.000 2.368 414 S HA -0.280 4.189 4.470 -0.000 0.000 0.226 414 S C 1.853 176.483 174.600 0.051 0.000 1.044 414 S CA 2.017 60.412 58.200 0.324 0.000 1.062 414 S CB -0.156 63.186 63.200 0.236 0.000 0.931 414 S HN 0.505 nan 8.310 nan 0.000 0.440 415 E N -0.670 119.598 120.200 0.114 0.000 2.150 415 E HA -0.072 4.277 4.350 -0.000 0.000 0.193 415 E C 1.785 178.450 176.600 0.108 0.000 0.985 415 E CA 0.983 57.435 56.400 0.086 0.000 0.814 415 E CB -0.273 29.510 29.700 0.137 0.000 0.752 415 E HN 0.663 nan 8.360 nan 0.000 0.466 416 F N 1.534 121.493 119.950 0.015 0.000 2.069 416 F HA -0.199 4.327 4.527 -0.000 0.000 0.298 416 F C 2.009 177.795 175.800 -0.023 0.000 1.113 416 F CA 1.117 59.121 58.000 0.006 0.000 1.214 416 F CB -0.402 38.612 39.000 0.024 0.000 0.978 416 F HN -0.230 nan 8.300 nan 0.000 0.474 417 V N 0.975 120.787 119.914 -0.171 0.000 3.241 417 V HA -0.187 3.933 4.120 -0.000 0.000 0.269 417 V C 1.847 177.747 176.094 -0.324 0.000 1.151 417 V CA 1.576 63.676 62.300 -0.332 0.000 1.158 417 V CB -0.926 30.740 31.823 -0.262 0.000 0.764 417 V HN 0.299 nan 8.190 nan 0.000 0.508 418 R N -0.512 119.843 120.500 -0.240 0.000 2.427 418 R HA 0.155 4.495 4.340 -0.000 0.000 0.262 418 R C 0.210 176.423 176.300 -0.144 0.000 0.943 418 R CA -0.041 55.942 56.100 -0.195 0.000 1.081 418 R CB 0.065 30.270 30.300 -0.158 0.000 1.166 418 R HN 0.303 nan 8.270 nan 0.000 0.534 419 D N 1.085 121.383 120.400 -0.170 0.000 2.751 419 D HA -0.162 4.478 4.640 -0.000 0.000 0.233 419 D C -0.987 175.281 176.300 -0.054 0.000 1.149 419 D CA 0.889 54.817 54.000 -0.122 0.000 0.682 419 D CB -0.805 39.926 40.800 -0.115 0.000 1.068 419 D HN 0.238 nan 8.370 nan 0.000 0.429 420 L N -0.046 121.163 121.223 -0.023 0.000 2.312 420 L HA 0.379 4.719 4.340 -0.000 0.000 0.281 420 L C 0.933 177.817 176.870 0.024 0.000 1.070 420 L CA -0.320 54.521 54.840 0.001 0.000 0.805 420 L CB 1.234 43.304 42.059 0.018 0.000 1.174 420 L HN -0.170 nan 8.230 nan 0.000 0.434 421 K N 3.472 123.870 120.400 -0.002 0.000 2.203 421 K HA 0.448 4.768 4.320 -0.000 0.000 0.251 421 K C -2.437 174.139 176.600 -0.040 0.000 0.944 421 K CA -1.904 54.378 56.287 -0.008 0.000 0.829 421 K CB 1.452 33.938 32.500 -0.024 0.000 1.125 421 K HN 0.231 nan 8.250 nan 0.000 0.430 422 P HA -0.072 nan 4.420 nan 0.000 0.259 422 P C -2.211 175.007 177.300 -0.137 0.000 1.163 422 P CA -0.448 62.622 63.100 -0.049 0.000 0.760 422 P CB -0.198 31.487 31.700 -0.025 0.000 0.762 423 P HA 0.020 nan 4.420 nan 0.000 0.271 423 P C -0.464 176.721 177.300 -0.191 0.000 1.244 423 P CA 0.109 63.091 63.100 -0.197 0.000 0.793 423 P CB 0.612 32.243 31.700 -0.116 0.000 0.984 424 H N 0.894 119.993 119.070 0.048 0.000 2.610 424 H HA 0.253 4.809 4.556 -0.000 0.000 0.336 424 H C 0.791 176.143 175.328 0.040 0.000 1.087 424 H CA 0.012 56.050 56.048 -0.016 0.000 1.405 424 H CB 0.681 30.365 29.762 -0.131 0.000 1.460 424 H HN 0.263 nan 8.280 nan 0.000 0.538 425 R N 2.525 123.069 120.500 0.074 0.000 2.357 425 R HA 0.226 4.566 4.340 -0.000 0.000 0.296 425 R C -0.485 175.809 176.300 -0.010 0.000 1.052 425 R CA -0.282 55.861 56.100 0.073 0.000 0.988 425 R CB 0.645 30.959 30.300 0.023 0.000 1.025 425 R HN 0.480 nan 8.270 nan 0.000 0.469 426 Y N 0.443 120.632 120.300 -0.185 0.000 2.679 426 Y HA 0.168 4.718 4.550 -0.000 0.000 0.331 426 Y C 1.390 177.357 175.900 0.112 0.000 1.183 426 Y CA -1.220 56.778 58.100 -0.171 0.000 1.290 426 Y CB 0.415 38.696 38.460 -0.297 0.000 1.489 426 Y HN 0.449 nan 8.280 nan 0.000 0.583 427 N N -0.414 118.754 118.700 0.779 0.000 2.520 427 N HA -0.110 4.630 4.740 -0.000 0.000 0.185 427 N C -0.078 175.655 175.510 0.371 0.000 1.068 427 N CA 0.936 54.275 53.050 0.483 0.000 0.911 427 N CB -0.364 38.294 38.487 0.285 0.000 0.961 427 N HN 0.655 nan 8.380 nan 0.000 0.446 428 H N -3.170 116.006 119.070 0.177 0.000 2.505 428 H HA 0.569 5.125 4.556 -0.000 0.000 0.260 428 H C 1.192 176.495 175.328 -0.041 0.000 1.168 428 H CA -0.365 55.701 56.048 0.029 0.000 0.945 428 H CB -0.050 29.677 29.762 -0.059 0.000 1.800 428 H HN 0.042 nan 8.280 nan 0.000 0.586 429 G N 1.175 109.920 108.800 -0.092 0.000 2.561 429 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.289 429 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.289 429 G C 0.103 174.872 174.900 -0.218 0.000 1.169 429 G CA 0.071 45.105 45.100 -0.110 0.000 0.980 429 G HN 0.540 nan 8.290 nan 0.000 0.550 430 T N 5.502 119.939 114.554 -0.195 0.000 2.901 430 T HA 0.506 4.856 4.350 -0.000 0.000 0.301 430 T C -1.640 172.808 174.700 -0.418 0.000 1.012 430 T CA 0.254 62.227 62.100 -0.211 0.000 1.135 430 T CB 1.502 70.322 68.868 -0.081 0.000 0.936 430 T HN 0.648 nan 8.240 nan 0.000 0.539 431 P HA 0.117 nan 4.420 nan 0.000 0.271 431 P C 0.094 177.272 177.300 -0.203 0.000 1.216 431 P CA -0.312 62.465 63.100 -0.538 0.000 0.776 431 P CB 0.631 32.056 31.700 -0.459 0.000 0.881 432 F N 1.447 121.325 119.950 -0.119 0.000 2.219 432 F HA 0.186 4.713 4.527 -0.000 0.000 0.294 432 F C 1.687 177.477 175.800 -0.017 0.000 1.086 432 F CA 0.332 58.305 58.000 -0.045 0.000 1.330 432 F CB -1.126 37.874 39.000 0.000 0.000 1.047 432 F HN 0.296 nan 8.300 nan 0.000 0.495 433 A N 0.288 123.217 122.820 0.181 0.000 2.399 433 A HA 0.422 4.742 4.320 -0.000 0.000 0.327 433 A C -1.120 176.489 177.584 0.041 0.000 1.367 433 A CA -0.393 51.711 52.037 0.112 0.000 0.842 433 A CB -0.189 18.888 19.000 0.129 0.000 1.142 433 A HN 0.044 nan 8.150 nan 0.000 0.495 434 D N 3.397 123.810 120.400 0.023 0.000 2.485 434 D HA 0.190 4.830 4.640 -0.000 0.000 0.221 434 D C 1.015 177.332 176.300 0.028 0.000 1.112 434 D CA -0.496 53.508 54.000 0.007 0.000 0.911 434 D CB 0.371 41.151 40.800 -0.033 0.000 1.019 434 D HN 0.307 nan 8.370 nan 0.000 0.516 435 L N 2.707 123.956 121.223 0.043 0.000 2.357 435 L HA -0.199 4.141 4.340 -0.000 0.000 0.220 435 L C 2.011 178.900 176.870 0.031 0.000 1.123 435 L CA 1.378 56.243 54.840 0.041 0.000 0.782 435 L CB -0.698 41.389 42.059 0.047 0.000 0.910 435 L HN 0.661 nan 8.230 nan 0.000 0.442 436 Q N 0.138 119.954 119.800 0.027 0.000 2.234 436 Q HA -0.146 4.194 4.340 -0.000 0.000 0.206 436 Q C 0.621 176.625 176.000 0.006 0.000 0.980 436 Q CA 0.838 56.650 55.803 0.014 0.000 0.869 436 Q CB 0.152 28.891 28.738 0.002 0.000 0.912 436 Q HN 0.456 nan 8.270 nan 0.000 0.436 437 I N 2.663 123.241 120.570 0.012 0.000 2.312 437 I HA 0.232 4.402 4.170 -0.000 0.000 0.290 437 I C -0.423 175.704 176.117 0.017 0.000 1.008 437 I CA -0.639 60.669 61.300 0.013 0.000 1.226 437 I CB 1.255 39.271 38.000 0.027 0.000 1.371 437 I HN -0.092 nan 8.210 nan 0.000 0.468 438 K N 5.663 126.066 120.400 0.004 0.000 2.130 438 K HA 0.317 4.637 4.320 -0.000 0.000 0.268 438 K C -0.189 176.413 176.600 0.003 0.000 0.983 438 K CA -0.656 55.634 56.287 0.005 0.000 0.893 438 K CB 1.770 34.267 32.500 -0.006 0.000 1.066 438 K HN 0.548 nan 8.250 nan 0.000 0.450 439 E N 1.909 122.117 120.200 0.014 0.000 2.376 439 E HA -0.037 4.313 4.350 -0.000 0.000 0.266 439 E C -0.584 176.015 176.600 -0.002 0.000 1.009 439 E CA 0.137 56.547 56.400 0.016 0.000 0.902 439 E CB 0.290 30.010 29.700 0.033 0.000 0.972 439 E HN 0.391 nan 8.360 nan 0.000 0.439 440 R N 3.177 123.668 120.500 -0.014 0.000 3.076 440 R HA -0.176 4.164 4.340 -0.000 0.000 0.261 440 R C -0.701 175.571 176.300 -0.048 0.000 0.930 440 R CA 0.368 56.449 56.100 -0.031 0.000 0.649 440 R CB -1.014 29.276 30.300 -0.016 0.000 1.350 440 R HN 0.588 nan 8.270 nan 0.000 0.453 441 M N 2.517 122.075 119.600 -0.070 0.000 2.291 441 M HA 0.425 4.905 4.480 -0.000 0.000 0.324 441 M C -1.523 174.706 176.300 -0.118 0.000 1.148 441 M CA -1.638 53.611 55.300 -0.085 0.000 1.104 441 M CB 0.716 33.259 32.600 -0.094 0.000 1.483 441 M HN 0.119 nan 8.290 nan 0.000 0.467 442 P HA 0.314 nan 4.420 nan 0.000 0.292 442 P C -1.442 175.745 177.300 -0.188 0.000 1.287 442 P CA -0.357 62.664 63.100 -0.133 0.000 0.800 442 P CB 0.710 32.353 31.700 -0.096 0.000 0.945 443 R N 2.683 123.039 120.500 -0.241 0.000 2.349 443 R HA 0.373 4.713 4.340 -0.000 0.000 0.299 443 R C 0.453 176.616 176.300 -0.229 0.000 1.027 443 R CA -0.676 55.226 56.100 -0.330 0.000 0.958 443 R CB 1.374 31.337 30.300 -0.562 0.000 1.047 443 R HN 0.408 nan 8.270 nan 0.000 0.468 444 R N 1.075 121.444 120.500 -0.219 0.000 2.234 444 R HA 0.076 4.416 4.340 -0.000 0.000 0.324 444 R C 0.784 177.022 176.300 -0.103 0.000 1.054 444 R CA -0.057 55.953 56.100 -0.150 0.000 0.912 444 R CB 0.889 31.090 30.300 -0.164 0.000 1.030 444 R HN 0.725 nan 8.270 nan 0.000 0.455 445 T N -2.405 112.115 114.554 -0.057 0.000 3.065 445 T HA -0.072 4.277 4.350 -0.000 0.000 0.252 445 T C 0.913 175.621 174.700 0.014 0.000 1.099 445 T CA 0.231 62.323 62.100 -0.013 0.000 1.063 445 T CB 0.038 68.889 68.868 -0.029 0.000 0.948 445 T HN 0.602 nan 8.240 nan 0.000 0.506 446 D N 0.988 121.392 120.400 0.007 0.000 2.319 446 D HA 0.041 4.680 4.640 -0.000 0.000 0.230 446 D C 1.195 177.580 176.300 0.143 0.000 1.094 446 D CA 0.036 54.063 54.000 0.044 0.000 0.856 446 D CB 0.084 40.878 40.800 -0.011 0.000 0.915 446 D HN 0.331 nan 8.370 nan 0.000 0.517 447 K N -0.215 120.279 120.400 0.157 0.000 2.387 447 K HA 0.210 4.530 4.320 -0.000 0.000 0.203 447 K C 0.014 176.801 176.600 0.311 0.000 1.030 447 K CA -0.251 56.185 56.287 0.248 0.000 1.099 447 K CB 0.636 33.022 32.500 -0.189 0.000 0.863 447 K HN 0.106 nan 8.250 nan 0.000 0.529 448 M N 0.400 120.168 119.600 0.280 0.000 2.413 448 M HA 0.448 4.928 4.480 -0.000 0.000 0.287 448 M C -2.207 174.129 176.300 0.060 0.000 1.186 448 M CA -0.555 54.719 55.300 -0.043 0.000 0.927 448 M CB 2.311 34.944 32.600 0.054 0.000 1.715 448 M HN -0.049 nan 8.290 nan 0.000 0.478 449 A N 4.748 127.506 122.820 -0.104 0.000 2.353 449 A HA 0.735 5.055 4.320 -0.000 0.000 0.299 449 A C -1.945 175.469 177.584 -0.283 0.000 1.089 449 A CA -0.641 51.364 52.037 -0.053 0.000 0.736 449 A CB 1.356 20.516 19.000 0.267 0.000 1.195 449 A HN 0.705 nan 8.150 nan 0.000 0.447 450 L N 2.758 123.721 121.223 -0.432 0.000 2.313 450 L HA 0.669 5.009 4.340 -0.000 0.000 0.283 450 L C -1.601 174.879 176.870 -0.650 0.000 1.013 450 L CA -0.281 54.318 54.840 -0.402 0.000 0.816 450 L CB 1.003 42.932 42.059 -0.217 0.000 1.236 450 L HN 0.660 nan 8.230 nan 0.000 0.419 451 F N 3.258 123.222 119.950 0.024 0.000 2.577 451 F HA 0.703 5.229 4.527 -0.000 0.000 0.344 451 F C 0.218 176.129 175.800 0.184 0.000 1.145 451 F CA -0.625 57.423 58.000 0.080 0.000 0.996 451 F CB 1.793 40.783 39.000 -0.017 0.000 1.248 451 F HN 0.490 nan 8.300 nan 0.000 0.447 452 A N 3.927 126.885 122.820 0.229 0.000 2.594 452 A HA 0.733 5.053 4.320 -0.000 0.000 0.295 452 A C -2.453 174.801 177.584 -0.550 0.000 1.071 452 A CA -1.472 50.468 52.037 -0.162 0.000 0.685 452 A CB 1.654 20.405 19.000 -0.414 0.000 1.285 452 A HN 0.321 nan 8.150 nan 0.000 0.405 453 P HA 0.012 nan 4.420 nan 0.000 0.249 453 P C -0.712 176.560 177.300 -0.047 0.000 1.227 453 P CA 1.383 64.227 63.100 -0.426 0.000 0.753 453 P CB -0.876 30.715 31.700 -0.181 0.000 0.966 454 Y N -4.437 115.797 120.300 -0.111 0.000 2.662 454 Y HA 0.421 4.971 4.550 -0.000 0.000 0.334 454 Y C -0.247 175.459 175.900 -0.323 0.000 1.185 454 Y CA -2.085 55.912 58.100 -0.171 0.000 1.074 454 Y CB 0.367 38.877 38.460 0.082 0.000 1.330 454 Y HN -0.400 nan 8.280 nan 0.000 0.458 455 R N 2.271 122.503 120.500 -0.446 0.000 2.824 455 R HA 0.526 4.865 4.340 -0.000 0.000 0.240 455 R C -0.067 176.237 176.300 0.006 0.000 1.548 455 R CA 0.433 56.365 56.100 -0.279 0.000 1.119 455 R CB -0.634 29.453 30.300 -0.355 0.000 1.189 455 R HN 0.841 nan 8.270 nan 0.000 0.596 456 A N 5.206 128.041 122.820 0.026 0.000 2.425 456 A HA 0.202 4.522 4.320 -0.000 0.000 0.242 456 A C -1.596 175.991 177.584 0.004 0.000 1.077 456 A CA -1.294 50.809 52.037 0.108 0.000 0.781 456 A CB 0.280 19.236 19.000 -0.073 0.000 1.020 456 A HN 0.523 nan 8.150 nan 0.000 0.494 457 P HA -0.127 nan 4.420 nan 0.000 0.214 457 P C 0.721 177.840 177.300 -0.301 0.000 1.163 457 P CA 1.107 64.155 63.100 -0.087 0.000 0.883 457 P CB -0.079 31.623 31.700 0.003 0.000 0.788 458 L N -2.022 118.952 121.223 -0.414 0.000 2.737 458 L HA 0.092 4.432 4.340 -0.000 0.000 0.246 458 L C 2.097 178.748 176.870 -0.366 0.000 1.153 458 L CA 0.979 55.435 54.840 -0.638 0.000 0.920 458 L CB -1.086 40.599 42.059 -0.624 0.000 1.090 458 L HN -0.030 nan 8.230 nan 0.000 0.430 459 M N -0.927 118.546 119.600 -0.211 0.000 2.558 459 M HA -0.050 4.430 4.480 -0.000 0.000 0.255 459 M C 2.034 178.358 176.300 0.039 0.000 1.113 459 M CA 0.781 56.063 55.300 -0.029 0.000 1.097 459 M CB 0.215 32.820 32.600 0.009 0.000 1.426 459 M HN 0.032 nan 8.290 nan 0.000 0.488 460 K N -0.250 120.086 120.400 -0.106 0.000 2.097 460 K HA -0.113 4.207 4.320 -0.000 0.000 0.205 460 K C 0.584 177.297 176.600 0.188 0.000 1.050 460 K CA 1.326 57.615 56.287 0.004 0.000 0.938 460 K CB -0.024 32.431 32.500 -0.075 0.000 0.718 460 K HN 0.407 nan 8.250 nan 0.000 0.442 461 W N 0.450 121.708 121.300 -0.070 0.000 3.325 461 W HA 0.464 5.124 4.660 -0.000 0.000 0.370 461 W C -0.461 175.991 176.519 -0.111 0.000 1.169 461 W CA -0.986 56.307 57.345 -0.087 0.000 1.874 461 W CB -1.136 28.276 29.460 -0.081 0.000 1.076 461 W HN -0.071 nan 8.180 nan 0.000 0.684 462 A N 0.191 123.017 122.820 0.010 0.000 2.304 462 A HA 0.739 5.059 4.320 -0.000 0.000 0.314 462 A C 0.919 178.239 177.584 -0.439 0.000 1.187 462 A CA 0.087 52.047 52.037 -0.128 0.000 0.810 462 A CB 1.248 20.181 19.000 -0.111 0.000 1.183 462 A HN 0.069 nan 8.150 nan 0.000 0.487 463 A N 2.963 125.617 122.820 -0.277 0.000 1.943 463 A HA 0.265 4.585 4.320 -0.000 0.000 0.213 463 A C 0.793 178.211 177.584 -0.276 0.000 1.181 463 A CA 0.753 52.603 52.037 -0.311 0.000 0.653 463 A CB -0.077 18.861 19.000 -0.104 0.000 0.833 463 A HN 0.722 nan 8.150 nan 0.000 0.451 464 I N 2.299 122.804 120.570 -0.108 0.000 2.276 464 I HA 0.232 4.402 4.170 -0.000 0.000 0.290 464 I C -0.506 175.572 176.117 -0.065 0.000 1.109 464 I CA 0.035 61.345 61.300 0.016 0.000 1.229 464 I CB -1.506 36.564 38.000 0.117 0.000 1.452 464 I HN 0.537 nan 8.210 nan 0.000 0.497 465 H N 2.893 121.871 119.070 -0.152 0.000 3.018 465 H HA 0.685 5.241 4.556 -0.000 0.000 0.334 465 H C -1.138 174.119 175.328 -0.118 0.000 0.983 465 H CA -0.788 55.099 56.048 -0.269 0.000 1.363 465 H CB 2.373 32.034 29.762 -0.169 0.000 1.668 465 H HN 0.293 nan 8.280 nan 0.000 0.513 466 E N 3.331 123.514 120.200 -0.028 0.000 2.256 466 E HA 0.222 4.572 4.350 -0.000 0.000 0.268 466 E C -0.813 175.938 176.600 0.251 0.000 0.877 466 E CA -0.977 55.540 56.400 0.194 0.000 0.757 466 E CB 3.219 33.187 29.700 0.447 0.000 1.183 466 E HN 0.484 nan 8.360 nan 0.000 0.418 467 V N 5.930 125.899 119.914 0.091 0.000 2.461 467 V HA 0.212 4.332 4.120 -0.000 0.000 0.275 467 V C 0.622 176.795 176.094 0.131 0.000 1.047 467 V CA -0.222 62.105 62.300 0.044 0.000 0.955 467 V CB 0.589 32.368 31.823 -0.073 0.000 0.988 467 V HN 0.617 nan 8.190 nan 0.000 0.471 468 H N 5.673 124.752 119.070 0.014 0.000 3.779 468 H HA 0.679 5.235 4.556 -0.000 0.000 0.320 468 H C -0.500 174.818 175.328 -0.017 0.000 1.666 468 H CA -1.205 54.841 56.048 -0.004 0.000 1.439 468 H CB 0.911 30.659 29.762 -0.024 0.000 1.281 468 H HN 0.520 nan 8.280 nan 0.000 0.809 469 R N 0.203 120.735 120.500 0.054 0.000 2.668 469 R HA 0.451 4.791 4.340 -0.000 0.000 0.279 469 R C -3.096 173.133 176.300 -0.119 0.000 0.976 469 R CA -2.116 53.953 56.100 -0.052 0.000 0.978 469 R CB 0.475 30.769 30.300 -0.009 0.000 1.133 469 R HN 0.274 nan 8.270 nan 0.000 0.484 470 P HA 0.025 nan 4.420 nan 0.000 0.264 470 P C 0.225 177.356 177.300 -0.283 0.000 1.183 470 P CA 1.098 63.893 63.100 -0.507 0.000 0.763 470 P CB 0.307 31.657 31.700 -0.585 0.000 0.807 471 G N 2.590 111.231 108.800 -0.266 0.000 2.372 471 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.297 471 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.297 471 G C 0.281 175.158 174.900 -0.039 0.000 1.005 471 G CA 0.447 45.489 45.100 -0.098 0.000 1.173 471 G HN 0.693 nan 8.290 nan 0.000 0.511 472 E N -0.816 119.382 120.200 -0.003 0.000 3.083 472 E HA 0.093 4.443 4.350 -0.000 0.000 0.168 472 E C 1.591 178.153 176.600 -0.063 0.000 0.934 472 E CA 0.229 56.622 56.400 -0.011 0.000 1.361 472 E CB 0.118 29.826 29.700 0.013 0.000 1.032 472 E HN 0.425 nan 8.360 nan 0.000 0.447 473 E N 0.748 120.910 120.200 -0.064 0.000 2.274 473 E HA -0.169 4.181 4.350 -0.000 0.000 0.194 473 E C 1.717 178.218 176.600 -0.165 0.000 0.996 473 E CA 0.478 56.782 56.400 -0.161 0.000 0.840 473 E CB -0.152 29.513 29.700 -0.058 0.000 0.772 473 E HN 0.438 nan 8.360 nan 0.000 0.491 474 R N 1.735 122.172 120.500 -0.106 0.000 2.082 474 R HA -0.118 4.221 4.340 -0.000 0.000 0.234 474 R C 2.078 178.301 176.300 -0.128 0.000 1.136 474 R CA 1.402 57.444 56.100 -0.096 0.000 0.935 474 R CB -0.785 29.478 30.300 -0.061 0.000 0.842 474 R HN 0.119 nan 8.270 nan 0.000 0.430 475 E N 0.557 120.681 120.200 -0.126 0.000 2.136 475 E HA -0.249 4.100 4.350 -0.000 0.000 0.208 475 E C 1.995 178.482 176.600 -0.188 0.000 1.035 475 E CA 1.925 58.244 56.400 -0.134 0.000 0.838 475 E CB -0.272 29.354 29.700 -0.123 0.000 0.748 475 E HN 0.263 nan 8.360 nan 0.000 0.459 476 I N 0.370 120.778 120.570 -0.270 0.000 2.090 476 I HA -0.278 3.892 4.170 -0.000 0.000 0.236 476 I C 2.287 178.230 176.117 -0.290 0.000 1.064 476 I CA 1.271 62.345 61.300 -0.376 0.000 1.324 476 I CB -0.556 37.095 38.000 -0.582 0.000 1.044 476 I HN 0.061 nan 8.210 nan 0.000 0.399 477 L N -0.633 120.448 121.223 -0.237 0.000 2.042 477 L HA -0.231 4.109 4.340 -0.000 0.000 0.210 477 L C 2.455 179.232 176.870 -0.156 0.000 1.076 477 L CA 1.403 56.129 54.840 -0.189 0.000 0.749 477 L CB -0.769 41.203 42.059 -0.145 0.000 0.893 477 L HN 0.235 nan 8.230 nan 0.000 0.432 478 L N -0.746 120.398 121.223 -0.133 0.000 1.971 478 L HA -0.341 3.999 4.340 -0.000 0.000 0.215 478 L C 2.729 179.538 176.870 -0.101 0.000 1.072 478 L CA 1.720 56.499 54.840 -0.102 0.000 0.758 478 L CB -0.457 41.548 42.059 -0.088 0.000 0.889 478 L HN 0.341 nan 8.230 nan 0.000 0.433 479 A N -0.125 122.625 122.820 -0.117 0.000 1.873 479 A HA -0.270 4.050 4.320 -0.000 0.000 0.218 479 A C 2.125 179.653 177.584 -0.093 0.000 1.193 479 A CA 2.073 54.049 52.037 -0.101 0.000 0.629 479 A CB -1.068 17.859 19.000 -0.123 0.000 0.826 479 A HN 0.512 nan 8.150 nan 0.000 0.447 480 L N -0.802 120.344 121.223 -0.129 0.000 2.137 480 L HA -0.243 4.097 4.340 -0.000 0.000 0.213 480 L C 2.492 179.293 176.870 -0.115 0.000 1.085 480 L CA 1.166 55.929 54.840 -0.128 0.000 0.760 480 L CB -0.615 41.323 42.059 -0.202 0.000 0.893 480 L HN 0.411 nan 8.230 nan 0.000 0.434 481 L N -0.770 120.389 121.223 -0.107 0.000 2.156 481 L HA -0.027 4.313 4.340 -0.000 0.000 0.208 481 L C 1.606 178.456 176.870 -0.034 0.000 1.095 481 L CA 0.990 55.785 54.840 -0.075 0.000 0.770 481 L CB -0.446 41.571 42.059 -0.070 0.000 0.914 481 L HN 0.529 nan 8.230 nan 0.000 0.439 482 G N -0.979 107.799 108.800 -0.036 0.000 2.154 482 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.186 482 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.186 482 G C 0.325 175.213 174.900 -0.020 0.000 1.000 482 G CA 0.126 45.216 45.100 -0.017 0.000 0.664 482 G HN 0.280 nan 8.290 nan 0.000 0.513 483 D N -0.051 120.331 120.400 -0.031 0.000 2.339 483 D HA 0.185 4.825 4.640 -0.000 0.000 0.217 483 D C 1.237 177.519 176.300 -0.030 0.000 1.050 483 D CA 0.852 54.836 54.000 -0.028 0.000 0.856 483 D CB 0.510 41.292 40.800 -0.031 0.000 0.922 483 D HN 0.325 nan 8.370 nan 0.000 0.518 484 K N 0.148 120.526 120.400 -0.036 0.000 2.499 484 K HA 0.319 4.638 4.320 -0.000 0.000 0.284 484 K C -0.495 176.082 176.600 -0.038 0.000 1.039 484 K CA -0.538 55.727 56.287 -0.037 0.000 0.873 484 K CB 1.598 34.071 32.500 -0.045 0.000 1.545 484 K HN -0.131 nan 8.250 nan 0.000 0.402 485 E N -0.291 119.887 120.200 -0.037 0.000 2.280 485 E HA 0.696 5.046 4.350 -0.000 0.000 0.261 485 E C 0.062 176.633 176.600 -0.050 0.000 1.088 485 E CA -0.944 55.436 56.400 -0.034 0.000 0.915 485 E CB 1.142 30.827 29.700 -0.026 0.000 1.141 485 E HN 0.645 nan 8.360 nan 0.000 0.433 486 G N -0.030 108.742 108.800 -0.047 0.000 2.550 486 G HA2 0.316 4.276 3.960 -0.000 0.000 0.293 486 G HA3 0.316 4.276 3.960 -0.000 0.000 0.293 486 G C -0.819 174.054 174.900 -0.044 0.000 1.402 486 G CA -0.584 44.476 45.100 -0.067 0.000 0.784 486 G HN 0.525 nan 8.290 nan 0.000 0.482 487 S N -0.516 115.154 115.700 -0.049 0.000 2.566 487 S HA 0.131 4.601 4.470 -0.000 0.000 0.280 487 S C 1.159 175.771 174.600 0.019 0.000 1.343 487 S CA 0.982 59.178 58.200 -0.008 0.000 1.036 487 S CB 1.005 64.209 63.200 0.008 0.000 0.866 487 S HN 0.722 nan 8.310 nan 0.000 0.526 488 E N 1.400 121.624 120.200 0.040 0.000 2.068 488 E HA -0.245 4.105 4.350 -0.000 0.000 0.207 488 E C 2.092 178.745 176.600 0.089 0.000 1.032 488 E CA 1.933 58.366 56.400 0.054 0.000 0.839 488 E CB -0.341 29.394 29.700 0.057 0.000 0.758 488 E HN 0.654 nan 8.360 nan 0.000 0.457 489 M N 0.526 120.209 119.600 0.139 0.000 2.073 489 M HA -0.174 4.306 4.480 -0.000 0.000 0.258 489 M C 2.591 179.059 176.300 0.279 0.000 1.070 489 M CA 1.283 56.726 55.300 0.238 0.000 1.103 489 M CB -1.175 31.635 32.600 0.351 0.000 1.321 489 M HN 0.061 nan 8.290 nan 0.000 0.405 490 V N 0.662 120.670 119.914 0.157 0.000 2.453 490 V HA -0.284 3.836 4.120 -0.000 0.000 0.252 490 V C 2.748 178.871 176.094 0.050 0.000 1.068 490 V CA 1.914 64.206 62.300 -0.013 0.000 1.070 490 V CB -1.614 30.082 31.823 -0.212 0.000 0.664 490 V HN 0.526 nan 8.190 nan 0.000 0.461 491 A N -0.205 122.647 122.820 0.054 0.000 1.872 491 A HA -0.172 4.148 4.320 -0.000 0.000 0.214 491 A C 2.301 179.930 177.584 0.074 0.000 1.187 491 A CA 1.648 53.714 52.037 0.048 0.000 0.614 491 A CB -0.415 18.605 19.000 0.033 0.000 0.826 491 A HN 0.511 nan 8.150 nan 0.000 0.442 492 K N -0.095 120.361 120.400 0.094 0.000 2.152 492 K HA -0.098 4.222 4.320 -0.000 0.000 0.206 492 K C 2.210 178.872 176.600 0.104 0.000 1.048 492 K CA 1.061 57.397 56.287 0.083 0.000 0.933 492 K CB -0.300 32.255 32.500 0.091 0.000 0.721 492 K HN 0.462 nan 8.250 nan 0.000 0.447 493 A N 1.916 124.854 122.820 0.197 0.000 1.873 493 A HA -0.203 4.116 4.320 -0.000 0.000 0.215 493 A C 2.073 179.796 177.584 0.232 0.000 1.186 493 A CA 1.734 53.944 52.037 0.288 0.000 0.616 493 A CB -0.348 18.936 19.000 0.472 0.000 0.823 493 A HN 0.147 nan 8.150 nan 0.000 0.442 494 K N 0.467 120.965 120.400 0.162 0.000 1.991 494 K HA -0.202 4.118 4.320 -0.000 0.000 0.212 494 K C 1.926 178.609 176.600 0.139 0.000 1.049 494 K CA 2.276 58.650 56.287 0.144 0.000 0.932 494 K CB -0.540 32.002 32.500 0.070 0.000 0.717 494 K HN 0.522 nan 8.250 nan 0.000 0.441 495 E N -0.816 119.429 120.200 0.074 0.000 2.209 495 E HA -0.213 4.136 4.350 -0.000 0.000 0.196 495 E C 1.574 178.164 176.600 -0.016 0.000 0.993 495 E CA 1.056 57.474 56.400 0.031 0.000 0.819 495 E CB -0.151 29.556 29.700 0.011 0.000 0.745 495 E HN 0.470 nan 8.360 nan 0.000 0.477 496 A N 1.449 124.242 122.820 -0.044 0.000 1.843 496 A HA -0.153 4.167 4.320 -0.000 0.000 0.213 496 A C 1.989 179.441 177.584 -0.220 0.000 1.202 496 A CA 0.925 52.804 52.037 -0.263 0.000 0.607 496 A CB -1.272 17.444 19.000 -0.474 0.000 0.847 496 A HN 0.681 nan 8.150 nan 0.000 0.445 497 W N 1.419 122.647 121.300 -0.120 0.000 2.325 497 W HA -0.180 4.480 4.660 -0.000 0.000 0.299 497 W C 1.500 178.030 176.519 0.019 0.000 1.215 497 W CA 2.194 59.574 57.345 0.058 0.000 1.244 497 W CB -0.116 29.433 29.460 0.149 0.000 1.140 497 W HN 0.426 nan 8.180 nan 0.000 0.523 498 E N 0.466 120.748 120.200 0.138 0.000 2.106 498 E HA -0.181 4.169 4.350 -0.000 0.000 0.192 498 E C 1.933 178.498 176.600 -0.059 0.000 0.984 498 E CA 1.396 57.832 56.400 0.060 0.000 0.806 498 E CB -0.473 29.281 29.700 0.089 0.000 0.750 498 E HN 0.435 nan 8.360 nan 0.000 0.458 499 K N 0.583 120.925 120.400 -0.096 0.000 2.228 499 K HA 0.123 4.443 4.320 -0.000 0.000 0.202 499 K C 0.934 177.451 176.600 -0.137 0.000 1.051 499 K CA 0.346 56.568 56.287 -0.108 0.000 0.960 499 K CB 0.193 32.626 32.500 -0.113 0.000 0.743 499 K HN -0.050 nan 8.250 nan 0.000 0.458 500 A N 1.980 124.679 122.820 -0.201 0.000 2.488 500 A HA 0.052 4.372 4.320 -0.000 0.000 0.249 500 A C 0.409 177.874 177.584 -0.198 0.000 1.083 500 A CA -0.205 51.718 52.037 -0.190 0.000 0.768 500 A CB 0.409 19.287 19.000 -0.204 0.000 1.017 500 A HN 0.089 nan 8.150 nan 0.000 0.496 501 K N 1.915 122.243 120.400 -0.120 0.000 1.991 501 K HA 0.039 4.359 4.320 -0.000 0.000 0.208 501 K C 0.367 176.899 176.600 -0.112 0.000 1.038 501 K CA 1.201 57.430 56.287 -0.098 0.000 0.943 501 K CB 0.059 32.528 32.500 -0.052 0.000 0.736 501 K HN 0.563 nan 8.250 nan 0.000 0.440 502 N N 1.758 120.412 118.700 -0.077 0.000 2.976 502 N HA 0.256 4.995 4.740 -0.000 0.000 0.255 502 N C -2.689 172.782 175.510 -0.065 0.000 1.312 502 N CA -1.167 51.843 53.050 -0.067 0.000 0.897 502 N CB 1.401 39.875 38.487 -0.022 0.000 1.184 502 N HN 0.152 nan 8.380 nan 0.000 0.497 503 P HA 0.397 nan 4.420 nan 0.000 0.284 503 P C -0.602 176.659 177.300 -0.065 0.000 1.287 503 P CA -0.480 62.547 63.100 -0.123 0.000 0.824 503 P CB 2.112 33.631 31.700 -0.303 0.000 1.180 504 V N 0.638 120.555 119.914 0.005 0.000 2.735 504 V HA 0.317 4.437 4.120 -0.000 0.000 0.310 504 V C -0.138 176.060 176.094 0.172 0.000 1.061 504 V CA -0.798 61.540 62.300 0.064 0.000 0.913 504 V CB 1.850 33.632 31.823 -0.069 0.000 1.005 504 V HN 0.402 nan 8.190 nan 0.000 0.428 505 L N 5.527 126.882 121.223 0.221 0.000 2.282 505 L HA 0.656 4.996 4.340 -0.000 0.000 0.288 505 L C -0.662 176.210 176.870 0.003 0.000 1.033 505 L CA 0.264 55.198 54.840 0.157 0.000 0.807 505 L CB 0.967 43.108 42.059 0.137 0.000 1.209 505 L HN 0.537 nan 8.230 nan 0.000 0.423 506 I N 6.620 127.166 120.570 -0.040 0.000 2.406 506 I HA 0.483 4.653 4.170 -0.000 0.000 0.290 506 I C -1.171 174.890 176.117 -0.093 0.000 0.999 506 I CA -0.768 60.480 61.300 -0.087 0.000 1.124 506 I CB 1.541 39.484 38.000 -0.095 0.000 1.289 506 I HN 0.463 nan 8.210 nan 0.000 0.441 507 L N 3.579 124.717 121.223 -0.141 0.000 2.518 507 L HA 0.948 5.288 4.340 -0.000 0.000 0.257 507 L C 0.039 176.820 176.870 -0.149 0.000 0.980 507 L CA -0.379 54.380 54.840 -0.135 0.000 0.837 507 L CB 1.448 43.403 42.059 -0.172 0.000 1.410 507 L HN 0.585 nan 8.230 nan 0.000 0.410 508 G N -0.908 107.836 108.800 -0.093 0.000 2.593 508 G HA2 0.393 4.353 3.960 -0.000 0.000 0.189 508 G HA3 0.393 4.353 3.960 -0.000 0.000 0.189 508 G C 0.696 175.574 174.900 -0.036 0.000 1.560 508 G CA 0.881 45.936 45.100 -0.076 0.000 0.648 508 G HN 0.943 nan 8.290 nan 0.000 1.097 509 A N 1.031 123.849 122.820 -0.002 0.000 1.850 509 A HA 0.427 4.746 4.320 -0.000 0.000 0.212 509 A C 2.358 179.958 177.584 0.027 0.000 1.208 509 A CA 1.935 53.995 52.037 0.038 0.000 0.609 509 A CB -0.963 18.110 19.000 0.122 0.000 0.860 509 A HN 0.900 nan 8.150 nan 0.000 0.448 510 G N -0.338 108.479 108.800 0.029 0.000 3.135 510 G HA2 0.223 4.183 3.960 -0.000 0.000 0.208 510 G HA3 0.223 4.183 3.960 -0.000 0.000 0.208 510 G C 0.700 175.598 174.900 -0.004 0.000 1.212 510 G CA 0.667 45.772 45.100 0.008 0.000 0.928 510 G HN 0.279 nan 8.290 nan 0.000 0.500 511 V N -0.289 119.617 119.914 -0.012 0.000 3.623 511 V HA 0.103 4.223 4.120 -0.000 0.000 0.271 511 V C 1.826 177.928 176.094 0.013 0.000 1.248 511 V CA 0.460 62.771 62.300 0.019 0.000 1.156 511 V CB 0.201 32.019 31.823 -0.009 0.000 0.870 511 V HN 0.326 nan 8.190 nan 0.000 0.453 512 L N -0.064 121.119 121.223 -0.066 0.000 2.667 512 L HA 0.361 4.701 4.340 -0.000 0.000 0.232 512 L C 0.929 177.682 176.870 -0.196 0.000 1.138 512 L CA 0.932 55.659 54.840 -0.188 0.000 0.921 512 L CB 0.132 41.940 42.059 -0.419 0.000 1.180 512 L HN 0.242 nan 8.230 nan 0.000 0.487 513 Q N 0.108 119.865 119.800 -0.072 0.000 2.851 513 Q HA 0.113 4.453 4.340 -0.000 0.000 0.331 513 Q C 0.731 176.741 176.000 0.017 0.000 0.979 513 Q CA -0.078 55.714 55.803 -0.017 0.000 0.955 513 Q CB 0.757 29.487 28.738 -0.013 0.000 1.298 513 Q HN 0.453 nan 8.270 nan 0.000 0.432 514 D N -0.346 120.073 120.400 0.032 0.000 2.263 514 D HA -0.301 4.339 4.640 -0.000 0.000 0.193 514 D C 1.334 177.648 176.300 0.022 0.000 1.013 514 D CA 2.148 56.170 54.000 0.037 0.000 0.892 514 D CB -0.163 40.659 40.800 0.038 0.000 0.909 514 D HN 0.348 nan 8.370 nan 0.000 0.449 515 T N -0.365 114.200 114.554 0.019 0.000 2.714 515 T HA -0.198 4.152 4.350 -0.000 0.000 0.268 515 T C 2.044 176.742 174.700 -0.003 0.000 1.036 515 T CA 2.611 64.715 62.100 0.006 0.000 1.148 515 T CB -0.305 68.568 68.868 0.008 0.000 0.856 515 T HN 0.201 nan 8.240 nan 0.000 0.462 516 V N 1.277 121.192 119.914 0.002 0.000 2.341 516 V HA 0.246 4.366 4.120 -0.000 0.000 0.240 516 V C 3.124 179.232 176.094 0.024 0.000 1.035 516 V CA 1.177 63.475 62.300 -0.004 0.000 1.033 516 V CB -1.473 30.344 31.823 -0.010 0.000 0.678 516 V HN 0.552 nan 8.190 nan 0.000 0.464 517 A N 0.597 123.457 122.820 0.067 0.000 1.997 517 A HA -0.225 4.095 4.320 -0.000 0.000 0.221 517 A C 2.405 180.019 177.584 0.051 0.000 1.172 517 A CA 2.413 54.543 52.037 0.155 0.000 0.645 517 A CB -0.868 18.259 19.000 0.212 0.000 0.813 517 A HN 0.626 nan 8.150 nan 0.000 0.454 518 A N 0.803 123.622 122.820 -0.001 0.000 1.873 518 A HA -0.256 4.064 4.320 -0.000 0.000 0.218 518 A C 1.979 179.527 177.584 -0.060 0.000 1.193 518 A CA 1.937 53.945 52.037 -0.047 0.000 0.629 518 A CB -0.711 18.269 19.000 -0.032 0.000 0.826 518 A HN 0.815 nan 8.150 nan 0.000 0.447 519 E N -0.531 119.646 120.200 -0.038 0.000 2.216 519 E HA -0.123 4.226 4.350 -0.000 0.000 0.192 519 E C 2.018 178.594 176.600 -0.040 0.000 0.988 519 E CA 0.572 56.944 56.400 -0.048 0.000 0.834 519 E CB -0.320 29.348 29.700 -0.054 0.000 0.772 519 E HN 0.604 nan 8.360 nan 0.000 0.479 520 R N 1.157 121.667 120.500 0.017 0.000 2.091 520 R HA -0.142 4.198 4.340 -0.000 0.000 0.238 520 R C 2.520 178.871 176.300 0.085 0.000 1.136 520 R CA 1.587 57.752 56.100 0.107 0.000 0.959 520 R CB -0.524 29.990 30.300 0.357 0.000 0.856 520 R HN 0.261 nan 8.270 nan 0.000 0.437 521 A N 1.360 124.135 122.820 -0.074 0.000 1.845 521 A HA -0.224 4.096 4.320 -0.000 0.000 0.215 521 A C 2.159 179.688 177.584 -0.091 0.000 1.195 521 A CA 1.576 53.480 52.037 -0.221 0.000 0.616 521 A CB -0.657 18.125 19.000 -0.364 0.000 0.832 521 A HN 0.281 nan 8.150 nan 0.000 0.443 522 R N -0.848 119.604 120.500 -0.080 0.000 2.134 522 R HA -0.202 4.137 4.340 -0.000 0.000 0.248 522 R C 2.098 178.381 176.300 -0.027 0.000 1.143 522 R CA 1.882 57.952 56.100 -0.049 0.000 0.957 522 R CB -0.456 29.814 30.300 -0.049 0.000 0.867 522 R HN 0.447 nan 8.270 nan 0.000 0.441 523 L N 1.531 122.722 121.223 -0.055 0.000 1.956 523 L HA -0.218 4.122 4.340 -0.000 0.000 0.216 523 L C 2.391 179.277 176.870 0.027 0.000 1.073 523 L CA 2.179 56.962 54.840 -0.094 0.000 0.762 523 L CB -1.467 40.443 42.059 -0.249 0.000 0.889 523 L HN 0.451 nan 8.230 nan 0.000 0.433 524 L N -0.128 121.135 121.223 0.068 0.000 1.971 524 L HA -0.139 4.201 4.340 -0.000 0.000 0.215 524 L C 2.617 179.592 176.870 0.175 0.000 1.072 524 L CA 2.978 57.939 54.840 0.203 0.000 0.758 524 L CB -1.709 40.459 42.059 0.182 0.000 0.889 524 L HN 0.192 nan 8.230 nan 0.000 0.433 525 A N -0.025 122.848 122.820 0.088 0.000 1.870 525 A HA -0.350 3.970 4.320 -0.000 0.000 0.219 525 A C 2.199 179.835 177.584 0.088 0.000 1.224 525 A CA 2.574 54.649 52.037 0.063 0.000 0.650 525 A CB -1.256 17.755 19.000 0.018 0.000 0.836 525 A HN 0.741 nan 8.150 nan 0.000 0.454 526 E N -1.094 119.163 120.200 0.094 0.000 2.331 526 E HA -0.158 4.192 4.350 -0.000 0.000 0.199 526 E C 1.179 177.872 176.600 0.156 0.000 1.008 526 E CA 0.610 57.074 56.400 0.108 0.000 0.843 526 E CB -0.022 29.738 29.700 0.101 0.000 0.761 526 E HN 0.394 nan 8.360 nan 0.000 0.507 531 K N 0.591 121.064 120.400 0.122 0.000 2.106 531 K HA 0.824 5.144 4.320 -0.000 0.000 0.246 531 K C -0.407 176.270 176.600 0.129 0.000 0.987 531 K CA -0.782 55.573 56.287 0.113 0.000 0.904 531 K CB 1.995 34.535 32.500 0.067 0.000 1.071 531 K HN 0.372 nan 8.250 nan 0.000 0.453 532 V N 1.603 121.585 119.914 0.113 0.000 2.962 532 V HA 0.372 4.492 4.120 -0.000 0.000 0.313 532 V C -0.811 175.280 176.094 -0.005 0.000 1.099 532 V CA -1.003 61.338 62.300 0.068 0.000 0.971 532 V CB 1.956 33.845 31.823 0.111 0.000 1.028 532 V HN 0.548 nan 8.190 nan 0.000 0.430 533 L N 2.974 124.156 121.223 -0.068 0.000 2.301 533 L HA 0.678 5.018 4.340 -0.000 0.000 0.278 533 L C 0.243 177.023 176.870 -0.150 0.000 1.022 533 L CA -0.521 54.268 54.840 -0.085 0.000 0.854 533 L CB 1.499 43.512 42.059 -0.078 0.000 1.226 533 L HN 0.793 nan 8.230 nan 0.000 0.429 534 A N 5.439 128.166 122.820 -0.154 0.000 2.391 534 A HA 0.507 4.827 4.320 -0.000 0.000 0.316 534 A C 0.413 177.933 177.584 -0.107 0.000 1.381 534 A CA -0.448 51.465 52.037 -0.205 0.000 0.998 534 A CB 0.001 18.880 19.000 -0.201 0.000 1.147 534 A HN 0.790 nan 8.150 nan 0.000 0.545 535 M N 3.843 123.381 119.600 -0.103 0.000 3.596 535 M HA 0.072 4.552 4.480 -0.000 0.000 0.212 535 M C 0.855 177.129 176.300 -0.043 0.000 1.519 535 M CA -0.089 55.175 55.300 -0.059 0.000 1.670 535 M CB -1.066 31.503 32.600 -0.052 0.000 1.113 535 M HN 0.772 nan 8.290 nan 0.000 0.565 536 T N -0.996 113.544 114.554 -0.024 0.000 2.939 536 T HA 0.079 4.429 4.350 -0.000 0.000 0.319 536 T C -1.340 173.357 174.700 -0.004 0.000 1.082 536 T CA -1.077 61.026 62.100 0.006 0.000 1.133 536 T CB 0.317 69.210 68.868 0.042 0.000 1.019 536 T HN 0.374 nan 8.240 nan 0.000 0.548 537 P HA 0.191 nan 4.420 nan 0.000 0.231 537 P C 0.128 177.393 177.300 -0.059 0.000 1.168 537 P CA 0.240 63.320 63.100 -0.033 0.000 0.779 537 P CB 0.147 31.845 31.700 -0.003 0.000 0.844 538 A N 0.195 123.015 122.820 -0.001 0.000 2.303 538 A HA 0.663 4.983 4.320 -0.000 0.000 0.320 538 A C 0.142 177.775 177.584 0.083 0.000 1.192 538 A CA -0.637 51.428 52.037 0.046 0.000 0.821 538 A CB 0.972 20.009 19.000 0.061 0.000 1.188 538 A HN 0.187 nan 8.150 nan 0.000 0.492 539 A N 2.225 125.163 122.820 0.198 0.000 2.351 539 A HA 0.503 4.822 4.320 -0.000 0.000 0.257 539 A C 0.974 178.496 177.584 -0.103 0.000 1.087 539 A CA 0.505 52.553 52.037 0.019 0.000 0.798 539 A CB -0.294 18.690 19.000 -0.026 0.000 1.033 539 A HN 2.040 nan 8.150 nan 0.000 0.488 540 N N -0.892 117.739 118.700 -0.115 0.000 2.815 540 N HA -0.267 4.473 4.740 -0.000 0.000 0.247 540 N C 0.968 176.364 175.510 -0.191 0.000 1.030 540 N CA 2.424 55.386 53.050 -0.147 0.000 0.881 540 N CB -1.361 37.009 38.487 -0.194 0.000 1.134 540 N HN 1.065 nan 8.380 nan 0.000 0.582 541 A N 0.395 123.127 122.820 -0.146 0.000 1.865 541 A HA -0.126 4.194 4.320 -0.000 0.000 0.217 541 A C 2.017 179.590 177.584 -0.019 0.000 1.191 541 A CA 2.198 54.150 52.037 -0.142 0.000 0.623 541 A CB -0.686 18.381 19.000 0.111 0.000 0.826 541 A HN 0.431 nan 8.150 nan 0.000 0.444 542 R N 0.028 120.560 120.500 0.052 0.000 2.185 542 R HA -0.133 4.207 4.340 -0.000 0.000 0.247 542 R C 1.949 178.306 176.300 0.095 0.000 1.159 542 R CA 1.918 58.085 56.100 0.112 0.000 0.988 542 R CB -1.077 29.276 30.300 0.089 0.000 0.871 542 R HN 0.483 nan 8.270 nan 0.000 0.458 543 G N -0.529 108.266 108.800 -0.009 0.000 2.417 543 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.212 543 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.212 543 G C 1.366 176.222 174.900 -0.074 0.000 1.187 543 G CA 0.412 45.491 45.100 -0.035 0.000 0.804 543 G HN 0.291 nan 8.290 nan 0.000 0.534 544 L N 0.504 121.589 121.223 -0.229 0.000 2.191 544 L HA -0.046 4.294 4.340 -0.000 0.000 0.212 544 L C 2.791 179.723 176.870 0.104 0.000 1.103 544 L CA 0.991 55.654 54.840 -0.295 0.000 0.769 544 L CB -0.432 40.945 42.059 -1.137 0.000 0.908 544 L HN 0.328 nan 8.230 nan 0.000 0.438 545 E N 0.525 120.888 120.200 0.272 0.000 2.110 545 E HA -0.186 4.164 4.350 -0.000 0.000 0.193 545 E C 2.244 179.063 176.600 0.365 0.000 0.988 545 E CA 1.124 57.816 56.400 0.487 0.000 0.804 545 E CB -0.128 29.857 29.700 0.475 0.000 0.745 545 E HN 0.495 nan 8.360 nan 0.000 0.458 546 A N 0.724 123.636 122.820 0.153 0.000 2.172 546 A HA -0.096 4.224 4.320 -0.000 0.000 0.216 546 A C 1.931 179.307 177.584 -0.347 0.000 1.154 546 A CA 0.918 52.718 52.037 -0.395 0.000 0.701 546 A CB -0.087 18.740 19.000 -0.288 0.000 0.789 546 A HN 0.106 nan 8.150 nan 0.000 0.465 547 M N -2.094 117.456 119.600 -0.083 0.000 2.492 547 M HA 0.185 4.665 4.480 -0.000 0.000 0.255 547 M C 1.404 177.721 176.300 0.028 0.000 1.139 547 M CA 0.956 56.230 55.300 -0.044 0.000 1.096 547 M CB -0.698 31.892 32.600 -0.017 0.000 1.360 547 M HN 0.772 nan 8.290 nan 0.000 0.480 548 G N 0.978 109.847 108.800 0.116 0.000 2.149 548 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.235 548 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.235 548 G C 0.255 175.262 174.900 0.177 0.000 1.018 548 G CA 0.121 45.314 45.100 0.155 0.000 0.728 548 G HN 0.321 nan 8.290 nan 0.000 0.508 549 V N 0.456 120.544 119.914 0.289 0.000 3.111 549 V HA 0.365 4.485 4.120 -0.000 0.000 0.381 549 V C 0.599 176.831 176.094 0.230 0.000 1.387 549 V CA 0.399 62.902 62.300 0.338 0.000 1.550 549 V CB -0.592 31.555 31.823 0.541 0.000 1.305 549 V HN 0.335 nan 8.190 nan 0.000 0.494 550 L N 1.834 123.122 121.223 0.108 0.000 2.342 550 L HA 0.517 4.857 4.340 -0.000 0.000 0.271 550 L C -0.878 176.015 176.870 0.038 0.000 1.008 550 L CA -1.918 52.916 54.840 -0.010 0.000 0.818 550 L CB 1.375 43.441 42.059 0.011 0.000 1.296 550 L HN -0.060 nan 8.230 nan 0.000 0.427 551 P HA -0.117 nan 4.420 nan 0.000 0.218 551 P C 0.943 178.289 177.300 0.076 0.000 1.148 551 P CA 1.706 64.853 63.100 0.078 0.000 0.822 551 P CB 0.537 32.287 31.700 0.083 0.000 0.784 552 G N 0.357 109.193 108.800 0.060 0.000 3.274 552 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.313 552 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.313 552 G C 0.835 175.766 174.900 0.052 0.000 1.295 552 G CA 1.011 46.145 45.100 0.056 0.000 1.004 552 G HN 0.689 nan 8.290 nan 0.000 0.614 553 A N 0.367 123.219 122.820 0.054 0.000 3.711 553 A HA 0.744 5.064 4.320 -0.000 0.000 0.185 553 A C 0.827 178.446 177.584 0.059 0.000 1.697 553 A CA 0.989 53.054 52.037 0.048 0.000 1.787 553 A CB -0.164 18.860 19.000 0.040 0.000 1.545 553 A HN 0.860 nan 8.150 nan 0.000 0.553 554 K N -0.394 120.040 120.400 0.058 0.000 2.494 554 K HA 0.397 4.717 4.320 -0.000 0.000 0.273 554 K C 0.258 176.933 176.600 0.124 0.000 0.970 554 K CA 0.994 57.324 56.287 0.071 0.000 0.963 554 K CB -0.156 32.380 32.500 0.061 0.000 0.913 554 K HN 1.300 nan 8.250 nan 0.000 0.502 555 G N -0.476 108.408 108.800 0.139 0.000 2.353 555 G HA2 0.304 4.263 3.960 -0.000 0.000 0.424 555 G HA3 0.304 4.263 3.960 -0.000 0.000 0.424 555 G C -1.808 173.101 174.900 0.015 0.000 1.320 555 G CA -0.556 44.675 45.100 0.218 0.000 0.995 555 G HN 0.713 nan 8.290 nan 0.000 0.580 556 A N -0.329 122.370 122.820 -0.202 0.000 2.337 556 A HA 0.966 5.286 4.320 -0.000 0.000 0.329 556 A C 0.649 178.246 177.584 0.022 0.000 1.146 556 A CA 0.673 52.636 52.037 -0.123 0.000 0.800 556 A CB 1.236 20.144 19.000 -0.152 0.000 1.220 556 A HN 2.349 nan 8.150 nan 0.000 0.472 557 S N 1.602 117.341 115.700 0.066 0.000 2.719 557 S HA 0.401 4.871 4.470 -0.000 0.000 0.285 557 S C 1.269 176.034 174.600 0.275 0.000 1.137 557 S CA -0.099 58.219 58.200 0.196 0.000 1.012 557 S CB 0.267 63.481 63.200 0.024 0.000 1.134 557 S HN 1.236 nan 8.310 nan 0.000 0.544 558 W N 1.782 123.270 121.300 0.312 0.000 2.305 558 W HA -0.188 4.472 4.660 -0.000 0.000 0.308 558 W C 0.726 177.219 176.519 -0.044 0.000 1.226 558 W CA 2.043 59.515 57.345 0.211 0.000 1.253 558 W CB -1.086 28.588 29.460 0.356 0.000 1.146 558 W HN 0.841 nan 8.180 nan 0.000 0.507 559 D N 0.183 120.171 120.400 -0.687 0.000 2.379 559 D HA -0.027 4.613 4.640 -0.000 0.000 0.208 559 D C 0.036 176.022 176.300 -0.524 0.000 1.065 559 D CA 0.013 53.576 54.000 -0.729 0.000 0.848 559 D CB -0.411 39.649 40.800 -1.233 0.000 0.949 559 D HN 0.337 nan 8.370 nan 0.000 0.509 560 E N 2.372 122.335 120.200 -0.396 0.000 2.028 560 E HA 0.230 4.580 4.350 -0.000 0.000 0.266 560 E C -2.374 174.111 176.600 -0.191 0.000 0.962 560 E CA -2.142 54.097 56.400 -0.267 0.000 0.784 560 E CB 1.400 30.977 29.700 -0.205 0.000 1.114 560 E HN 0.074 nan 8.360 nan 0.000 0.414 561 P HA 0.315 nan 4.420 nan 0.000 0.282 561 P C 0.392 177.625 177.300 -0.111 0.000 1.287 561 P CA 0.258 63.268 63.100 -0.150 0.000 0.792 561 P CB 1.718 33.318 31.700 -0.167 0.000 1.163 562 G N -1.583 107.166 108.800 -0.085 0.000 3.876 562 G HA2 0.046 4.006 3.960 -0.000 0.000 0.203 562 G HA3 0.046 4.006 3.960 -0.000 0.000 0.203 562 G C 0.391 175.270 174.900 -0.034 0.000 1.162 562 G CA 0.351 45.414 45.100 -0.061 0.000 0.903 562 G HN 0.763 nan 8.290 nan 0.000 0.390 563 A N 0.209 123.015 122.820 -0.023 0.000 2.433 563 A HA 0.622 4.942 4.320 -0.000 0.000 0.250 563 A C -0.187 177.405 177.584 0.013 0.000 1.113 563 A CA 0.868 52.949 52.037 0.073 0.000 0.794 563 A CB 0.435 19.507 19.000 0.120 0.000 1.067 563 A HN 1.321 nan 8.150 nan 0.000 0.510 564 L N -1.251 119.986 121.223 0.023 0.000 2.381 564 L HA 0.622 4.962 4.340 -0.000 0.000 0.268 564 L C -1.568 175.262 176.870 -0.067 0.000 0.997 564 L CA -0.201 54.531 54.840 -0.181 0.000 0.818 564 L CB 1.045 42.886 42.059 -0.363 0.000 1.310 564 L HN 0.719 nan 8.230 nan 0.000 0.416 565 Y N 1.753 122.081 120.300 0.047 0.000 2.809 565 Y HA 0.100 4.650 4.550 -0.000 0.000 0.077 565 Y C 0.045 175.947 175.900 0.004 0.000 1.945 565 Y CA 0.735 58.877 58.100 0.069 0.000 1.154 565 Y CB -1.789 36.764 38.460 0.155 0.000 1.808 565 Y HN 0.812 nan 8.280 nan 0.000 0.303 566 A N 2.061 124.865 122.820 -0.027 0.000 2.435 566 A HA 0.875 5.194 4.320 -0.000 0.000 0.296 566 A C -1.717 175.757 177.584 -0.183 0.000 1.147 566 A CA -0.929 51.042 52.037 -0.110 0.000 0.775 566 A CB 1.653 20.469 19.000 -0.306 0.000 1.340 566 A HN 0.789 nan 8.150 nan 0.000 0.427 567 Y N 0.805 120.991 120.300 -0.190 0.000 2.345 567 Y HA 0.651 5.201 4.550 -0.000 0.000 0.331 567 Y C -2.011 173.870 175.900 -0.031 0.000 0.959 567 Y CA -1.088 56.952 58.100 -0.100 0.000 1.204 567 Y CB 0.846 39.319 38.460 0.022 0.000 1.135 567 Y HN 0.501 nan 8.280 nan 0.000 0.477 568 Y N 4.154 124.029 120.300 -0.709 0.000 2.331 568 Y HA 0.450 5.000 4.550 -0.000 0.000 0.338 568 Y C 0.921 176.315 175.900 -0.842 0.000 0.976 568 Y CA -1.314 56.339 58.100 -0.745 0.000 1.137 568 Y CB 2.193 40.266 38.460 -0.644 0.000 1.172 568 Y HN 0.869 nan 8.280 nan 0.000 0.478 569 G N 3.734 112.291 108.800 -0.406 0.000 3.371 569 G HA2 0.357 4.317 3.960 -0.000 0.000 0.248 569 G HA3 0.357 4.317 3.960 -0.000 0.000 0.248 569 G C -0.555 174.453 174.900 0.180 0.000 1.161 569 G CA 0.068 45.144 45.100 -0.040 0.000 0.796 569 G HN 0.482 nan 8.290 nan 0.000 0.539 570 F N -3.453 116.470 119.950 -0.046 0.000 2.799 570 F HA 0.482 5.009 4.527 -0.000 0.000 0.316 570 F C -1.216 174.479 175.800 -0.175 0.000 1.155 570 F CA -1.700 56.253 58.000 -0.078 0.000 0.916 570 F CB 0.847 39.800 39.000 -0.078 0.000 1.294 570 F HN -0.195 nan 8.300 nan 0.000 0.447 571 V N 3.404 123.255 119.914 -0.105 0.000 2.415 571 V HA 0.316 4.436 4.120 -0.000 0.000 0.267 571 V C -1.906 174.038 176.094 -0.250 0.000 1.042 571 V CA -0.926 61.181 62.300 -0.321 0.000 1.000 571 V CB 0.107 31.747 31.823 -0.306 0.000 1.015 571 V HN 0.632 nan 8.190 nan 0.000 0.478 572 P HA 0.348 nan 4.420 nan 0.000 0.297 572 P C -2.643 174.441 177.300 -0.360 0.000 1.303 572 P CA -1.587 61.272 63.100 -0.402 0.000 0.753 572 P CB -0.160 30.934 31.700 -1.009 0.000 1.281 573 P HA 0.057 nan 4.420 nan 0.000 0.276 573 P C 0.618 177.649 177.300 -0.448 0.000 1.230 573 P CA 0.056 62.866 63.100 -0.484 0.000 0.776 573 P CB 0.854 32.094 31.700 -0.767 0.000 0.888 574 E N 2.511 122.473 120.200 -0.397 0.000 2.136 574 E HA -0.280 4.070 4.350 -0.000 0.000 0.202 574 E C 1.146 177.482 176.600 -0.440 0.000 1.019 574 E CA 1.552 57.679 56.400 -0.454 0.000 0.819 574 E CB -0.045 29.439 29.700 -0.360 0.000 0.739 574 E HN 0.374 nan 8.360 nan 0.000 0.458 575 E N -0.416 119.573 120.200 -0.351 0.000 2.333 575 E HA -0.192 4.158 4.350 -0.000 0.000 0.200 575 E C 1.632 178.067 176.600 -0.276 0.000 1.010 575 E CA 0.981 57.210 56.400 -0.286 0.000 0.841 575 E CB -0.126 29.412 29.700 -0.270 0.000 0.757 575 E HN 0.456 nan 8.360 nan 0.000 0.508 576 A N 0.167 122.791 122.820 -0.327 0.000 2.095 576 A HA 0.018 4.338 4.320 -0.000 0.000 0.212 576 A C 1.986 179.457 177.584 -0.189 0.000 1.162 576 A CA 0.183 52.059 52.037 -0.268 0.000 0.753 576 A CB 0.124 18.915 19.000 -0.348 0.000 0.840 576 A HN 0.076 nan 8.150 nan 0.000 0.468 577 L N -0.013 121.046 121.223 -0.274 0.000 2.209 577 L HA 0.119 4.458 4.340 -0.000 0.000 0.207 577 L C 0.716 177.529 176.870 -0.096 0.000 1.094 577 L CA 1.061 55.791 54.840 -0.184 0.000 0.790 577 L CB -1.233 40.624 42.059 -0.335 0.000 0.932 577 L HN 0.293 nan 8.230 nan 0.000 0.447 578 K N -0.143 120.162 120.400 -0.157 0.000 2.436 578 K HA 0.284 4.604 4.320 -0.000 0.000 0.275 578 K C 1.185 177.770 176.600 -0.025 0.000 0.999 578 K CA 0.699 56.982 56.287 -0.006 0.000 0.980 578 K CB 0.405 32.885 32.500 -0.034 0.000 0.919 578 K HN 0.279 nan 8.250 nan 0.000 0.484 579 G N 2.286 111.092 108.800 0.009 0.000 2.336 579 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.233 579 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.233 579 G C -0.030 174.842 174.900 -0.047 0.000 1.053 579 G CA -0.127 44.959 45.100 -0.023 0.000 0.625 579 G HN 0.534 nan 8.290 nan 0.000 0.511 580 K N 0.790 121.152 120.400 -0.064 0.000 2.295 580 K HA 0.460 4.780 4.320 -0.000 0.000 0.270 580 K C 1.550 178.079 176.600 -0.119 0.000 1.011 580 K CA -0.370 55.846 56.287 -0.120 0.000 0.953 580 K CB 0.760 33.178 32.500 -0.137 0.000 0.956 580 K HN 0.306 nan 8.250 nan 0.000 0.477 581 R N 0.878 121.268 120.500 -0.184 0.000 2.051 581 R HA 0.011 4.351 4.340 -0.000 0.000 0.225 581 R C 0.378 176.671 176.300 -0.013 0.000 1.155 581 R CA 0.971 57.026 56.100 -0.075 0.000 0.945 581 R CB -0.017 30.190 30.300 -0.156 0.000 0.840 581 R HN 0.417 nan 8.270 nan 0.000 0.432 582 F N 1.346 121.189 119.950 -0.178 0.000 2.482 582 F HA 0.403 4.929 4.527 -0.000 0.000 0.331 582 F C -0.882 174.797 175.800 -0.201 0.000 1.115 582 F CA -1.674 56.222 58.000 -0.173 0.000 0.955 582 F CB 1.591 40.796 39.000 0.342 0.000 1.136 582 F HN -0.199 nan 8.300 nan 0.000 0.452 583 V N 5.090 124.440 119.914 -0.940 0.000 2.569 583 V HA 0.732 4.852 4.120 -0.000 0.000 0.301 583 V C -1.285 174.445 176.094 -0.606 0.000 1.044 583 V CA -0.945 60.950 62.300 -0.674 0.000 0.874 583 V CB 0.898 32.511 31.823 -0.351 0.000 1.002 583 V HN 0.813 nan 8.190 nan 0.000 0.424 584 V N 2.682 122.298 119.914 -0.497 0.000 2.347 584 V HA 0.681 4.801 4.120 -0.000 0.000 0.280 584 V C -0.068 175.984 176.094 -0.070 0.000 1.021 584 V CA -0.613 61.557 62.300 -0.217 0.000 0.847 584 V CB 1.173 32.947 31.823 -0.080 0.000 0.990 584 V HN 0.925 nan 8.190 nan 0.000 0.444 585 M N 4.365 123.959 119.600 -0.009 0.000 2.129 585 M HA 0.405 4.885 4.480 -0.000 0.000 0.348 585 M C 0.114 176.505 176.300 0.151 0.000 1.116 585 M CA -0.223 55.087 55.300 0.016 0.000 1.022 585 M CB 1.146 33.754 32.600 0.014 0.000 1.599 585 M HN 0.847 nan 8.290 nan 0.000 0.449 586 H N 4.101 123.198 119.070 0.045 0.000 2.595 586 H HA 0.378 4.934 4.556 -0.000 0.000 0.264 586 H C -0.524 174.908 175.328 0.175 0.000 1.503 586 H CA -0.468 55.710 56.048 0.216 0.000 1.142 586 H CB 0.351 30.407 29.762 0.489 0.000 1.554 586 H HN 0.613 nan 8.280 nan 0.000 0.501 587 L N 0.683 122.038 121.223 0.220 0.000 2.476 587 L HA 0.021 4.361 4.340 -0.000 0.000 0.255 587 L C 1.262 178.261 176.870 0.215 0.000 1.218 587 L CA 0.232 55.175 54.840 0.172 0.000 0.819 587 L CB 0.955 43.112 42.059 0.163 0.000 1.119 587 L HN 0.424 nan 8.230 nan 0.000 0.485 588 S N -1.685 114.175 115.700 0.267 0.000 2.540 588 S HA 0.237 4.707 4.470 -0.000 0.000 0.222 588 S C 0.173 175.082 174.600 0.515 0.000 1.008 588 S CA -0.432 57.984 58.200 0.360 0.000 0.939 588 S CB 0.120 63.555 63.200 0.391 0.000 0.865 588 S HN 0.723 nan 8.310 nan 0.000 0.499 589 H N -0.301 118.876 119.070 0.179 0.000 3.048 589 H HA 0.686 5.242 4.556 -0.000 0.000 0.296 589 H C -1.496 173.924 175.328 0.153 0.000 1.508 589 H CA -1.088 55.065 56.048 0.174 0.000 1.250 589 H CB 0.703 30.587 29.762 0.203 0.000 1.896 589 H HN 0.124 nan 8.280 nan 0.000 0.604 590 L N 2.214 123.593 121.223 0.260 0.000 2.435 590 L HA 0.234 4.574 4.340 -0.000 0.000 0.253 590 L C -0.779 176.212 176.870 0.201 0.000 1.087 590 L CA -0.331 54.623 54.840 0.190 0.000 0.950 590 L CB -0.733 41.399 42.059 0.122 0.000 1.304 590 L HN 0.567 nan 8.230 nan 0.000 0.453 591 H N 4.227 123.367 119.070 0.118 0.000 2.732 591 H HA 0.244 4.800 4.556 -0.000 0.000 0.351 591 H C -1.935 173.440 175.328 0.078 0.000 1.090 591 H CA -1.667 54.434 56.048 0.089 0.000 1.431 591 H CB 1.541 31.342 29.762 0.066 0.000 1.447 591 H HN 0.342 nan 8.280 nan 0.000 0.582 592 P HA -0.209 nan 4.420 nan 0.000 0.216 592 P C 2.007 179.502 177.300 0.325 0.000 1.157 592 P CA 0.911 64.177 63.100 0.277 0.000 0.880 592 P CB 0.288 32.091 31.700 0.172 0.000 0.791 593 L N -1.390 120.080 121.223 0.412 0.000 2.197 593 L HA -0.229 4.110 4.340 -0.000 0.000 0.215 593 L C 2.143 179.115 176.870 0.170 0.000 1.095 593 L CA 2.274 57.220 54.840 0.175 0.000 0.764 593 L CB -1.565 40.353 42.059 -0.234 0.000 0.897 593 L HN 0.019 nan 8.230 nan 0.000 0.436 594 A N 0.456 123.352 122.820 0.127 0.000 1.935 594 A HA -0.139 4.181 4.320 -0.000 0.000 0.214 594 A C 1.833 179.494 177.584 0.128 0.000 1.178 594 A CA 0.815 52.916 52.037 0.107 0.000 0.640 594 A CB -0.290 18.768 19.000 0.097 0.000 0.825 594 A HN 0.611 nan 8.150 nan 0.000 0.447 595 E N -0.774 119.505 120.200 0.132 0.000 2.365 595 E HA 0.118 4.468 4.350 -0.000 0.000 0.188 595 E C 0.766 177.404 176.600 0.062 0.000 1.102 595 E CA -0.011 56.444 56.400 0.092 0.000 0.927 595 E CB -0.026 29.724 29.700 0.084 0.000 1.073 595 E HN 0.568 nan 8.360 nan 0.000 0.467 596 R N -1.364 119.178 120.500 0.069 0.000 2.532 596 R HA 0.169 4.509 4.340 -0.000 0.000 0.312 596 R C 0.038 176.161 176.300 -0.296 0.000 0.923 596 R CA 0.062 56.110 56.100 -0.087 0.000 1.115 596 R CB 0.518 30.768 30.300 -0.082 0.000 1.703 596 R HN 0.139 nan 8.270 nan 0.000 0.498 597 Y N -0.490 119.836 120.300 0.043 0.000 2.437 597 Y HA 0.451 5.001 4.550 -0.000 0.000 0.266 597 Y C 0.583 176.525 175.900 0.069 0.000 1.077 597 Y CA -0.388 57.737 58.100 0.042 0.000 1.235 597 Y CB 1.073 39.523 38.460 -0.016 0.000 1.303 597 Y HN -0.035 nan 8.280 nan 0.000 0.536 598 A N -0.131 122.812 122.820 0.205 0.000 2.316 598 A HA 0.337 4.657 4.320 -0.000 0.000 0.284 598 A C 0.208 177.956 177.584 0.274 0.000 1.115 598 A CA -0.158 51.970 52.037 0.152 0.000 0.812 598 A CB 0.287 19.342 19.000 0.091 0.000 1.064 598 A HN 0.568 nan 8.150 nan 0.000 0.489 599 H N 0.133 119.219 119.070 0.026 0.000 2.516 599 H HA 0.283 4.839 4.556 -0.000 0.000 0.284 599 H C -0.611 174.798 175.328 0.136 0.000 0.999 599 H CA 0.516 56.643 56.048 0.131 0.000 1.303 599 H CB 0.848 30.813 29.762 0.339 0.000 1.452 599 H HN 0.323 nan 8.280 nan 0.000 0.530 600 V N 1.974 121.992 119.914 0.174 0.000 2.711 600 V HA 0.195 4.315 4.120 -0.000 0.000 0.304 600 V C -0.652 175.471 176.094 0.048 0.000 1.097 600 V CA -0.757 61.612 62.300 0.116 0.000 0.906 600 V CB 2.624 34.553 31.823 0.177 0.000 1.015 600 V HN -0.085 nan 8.190 nan 0.000 0.427 601 V N 5.886 125.820 119.914 0.035 0.000 2.667 601 V HA 0.652 4.772 4.120 -0.000 0.000 0.308 601 V C -0.660 175.433 176.094 -0.002 0.000 1.048 601 V CA -0.654 61.673 62.300 0.046 0.000 0.928 601 V CB 1.890 33.752 31.823 0.065 0.000 1.004 601 V HN 0.686 nan 8.190 nan 0.000 0.444 602 L N 5.889 127.159 121.223 0.077 0.000 2.446 602 L HA 0.449 4.789 4.340 -0.000 0.000 0.268 602 L C -2.540 174.543 176.870 0.354 0.000 0.975 602 L CA -1.457 53.411 54.840 0.046 0.000 0.848 602 L CB 2.329 44.332 42.059 -0.093 0.000 1.225 602 L HN 0.418 nan 8.230 nan 0.000 0.410 603 P HA 0.054 nan 4.420 nan 0.000 0.261 603 P C -0.631 176.952 177.300 0.472 0.000 1.183 603 P CA 0.277 63.589 63.100 0.354 0.000 0.761 603 P CB 1.036 32.907 31.700 0.285 0.000 0.785 604 A N 6.171 129.186 122.820 0.325 0.000 2.313 604 A HA 0.862 5.182 4.320 -0.000 0.000 0.323 604 A C -2.487 175.183 177.584 0.143 0.000 1.133 604 A CA -1.852 50.285 52.037 0.166 0.000 0.847 604 A CB 0.938 19.752 19.000 -0.310 0.000 1.308 604 A HN 0.378 nan 8.150 nan 0.000 0.475 605 P HA 0.369 nan 4.420 nan 0.000 0.290 605 P C -0.273 177.081 177.300 0.090 0.000 1.283 605 P CA -0.087 63.067 63.100 0.090 0.000 0.869 605 P CB 1.397 33.139 31.700 0.070 0.000 1.100 606 T N -1.061 113.534 114.554 0.068 0.000 2.882 606 T HA 0.206 4.555 4.350 -0.000 0.000 0.287 606 T C 1.319 176.005 174.700 -0.024 0.000 1.014 606 T CA -0.515 61.610 62.100 0.041 0.000 1.049 606 T CB -0.062 68.737 68.868 -0.115 0.000 1.001 606 T HN 0.384 nan 8.240 nan 0.000 0.525 607 F N -0.500 119.461 119.950 0.019 0.000 2.307 607 F HA -0.027 4.500 4.527 -0.000 0.000 0.301 607 F C 1.658 177.401 175.800 -0.096 0.000 1.076 607 F CA 0.382 58.333 58.000 -0.082 0.000 1.383 607 F CB -1.382 37.520 39.000 -0.163 0.000 1.055 607 F HN 0.519 nan 8.300 nan 0.000 0.526 608 Y N 1.815 121.811 120.300 -0.507 0.000 2.352 608 Y HA -0.105 4.445 4.550 -0.000 0.000 0.292 608 Y C 2.083 177.911 175.900 -0.120 0.000 1.136 608 Y CA 1.414 59.323 58.100 -0.318 0.000 1.227 608 Y CB -0.639 37.526 38.460 -0.491 0.000 0.991 608 Y HN 0.439 nan 8.280 nan 0.000 0.545 609 E N -0.547 119.673 120.200 0.033 0.000 2.558 609 E HA 0.169 4.519 4.350 -0.000 0.000 0.205 609 E C -0.160 176.454 176.600 0.024 0.000 1.006 609 E CA -0.143 56.273 56.400 0.025 0.000 0.961 609 E CB 0.218 29.921 29.700 0.004 0.000 1.044 609 E HN 0.198 nan 8.360 nan 0.000 0.465 610 K N 1.348 121.772 120.400 0.040 0.000 2.106 610 K HA 0.418 4.738 4.320 -0.000 0.000 0.246 610 K C -0.272 176.324 176.600 -0.006 0.000 0.987 610 K CA -0.786 55.516 56.287 0.025 0.000 0.904 610 K CB 1.955 34.486 32.500 0.051 0.000 1.071 610 K HN -0.064 nan 8.250 nan 0.000 0.453 611 R N 0.143 120.603 120.500 -0.067 0.000 2.562 611 R HA 0.544 4.884 4.340 -0.000 0.000 0.298 611 R C -0.735 175.456 176.300 -0.181 0.000 0.961 611 R CA -0.220 55.776 56.100 -0.175 0.000 0.881 611 R CB 1.440 31.538 30.300 -0.336 0.000 1.159 611 R HN 0.878 nan 8.270 nan 0.000 0.450 612 G N 1.895 110.624 108.800 -0.118 0.000 2.356 612 G HA2 0.071 4.031 3.960 -0.000 0.000 0.300 612 G HA3 0.071 4.031 3.960 -0.000 0.000 0.300 612 G C -1.829 173.162 174.900 0.151 0.000 1.331 612 G CA -0.898 44.196 45.100 -0.010 0.000 0.905 612 G HN 0.688 nan 8.290 nan 0.000 0.587 613 H N -1.404 117.714 119.070 0.080 0.000 2.567 613 H HA 0.782 5.337 4.556 -0.000 0.000 0.345 613 H C -0.725 174.601 175.328 -0.002 0.000 1.169 613 H CA -0.788 55.284 56.048 0.040 0.000 1.227 613 H CB 2.228 32.019 29.762 0.049 0.000 1.607 613 H HN 0.379 nan 8.280 nan 0.000 0.534 614 L N 1.178 122.463 121.223 0.103 0.000 2.393 614 L HA 0.350 4.690 4.340 -0.000 0.000 0.260 614 L C -1.211 175.651 176.870 -0.013 0.000 1.002 614 L CA -0.751 54.092 54.840 0.006 0.000 0.818 614 L CB 2.486 44.520 42.059 -0.042 0.000 1.369 614 L HN 0.382 nan 8.230 nan 0.000 0.412 615 V N 3.339 123.234 119.914 -0.031 0.000 2.304 615 V HA 0.381 4.501 4.120 -0.000 0.000 0.278 615 V C 0.299 176.379 176.094 -0.023 0.000 1.018 615 V CA -0.938 61.351 62.300 -0.018 0.000 0.814 615 V CB 0.932 32.753 31.823 -0.003 0.000 1.021 615 V HN 0.767 nan 8.190 nan 0.000 0.440 616 N N 3.137 121.824 118.700 -0.021 0.000 2.273 616 N HA 0.011 4.751 4.740 -0.000 0.000 0.227 616 N C 1.272 176.780 175.510 -0.004 0.000 1.292 616 N CA 0.121 53.159 53.050 -0.020 0.000 0.875 616 N CB 1.038 39.515 38.487 -0.017 0.000 1.105 616 N HN 0.781 nan 8.380 nan 0.000 0.434 617 L N 0.258 121.478 121.223 -0.007 0.000 2.622 617 L HA 0.055 4.395 4.340 -0.000 0.000 0.233 617 L C 1.006 177.882 176.870 0.009 0.000 1.156 617 L CA 1.043 55.884 54.840 0.002 0.000 0.866 617 L CB -0.202 41.851 42.059 -0.011 0.000 0.980 617 L HN 0.631 nan 8.230 nan 0.000 0.448 618 E N -0.693 119.513 120.200 0.010 0.000 2.569 618 E HA 0.281 4.631 4.350 -0.000 0.000 0.205 618 E C 1.062 177.678 176.600 0.027 0.000 1.006 618 E CA 0.077 56.486 56.400 0.015 0.000 0.985 618 E CB 0.390 30.094 29.700 0.006 0.000 1.060 618 E HN 0.314 nan 8.360 nan 0.000 0.460 619 G N 2.095 110.916 108.800 0.035 0.000 2.203 619 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.263 619 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.263 619 G C 0.128 175.046 174.900 0.029 0.000 1.012 619 G CA 0.581 45.710 45.100 0.048 0.000 0.749 619 G HN 0.387 nan 8.290 nan 0.000 0.512 620 R N -0.198 120.309 120.500 0.011 0.000 2.410 620 R HA 0.523 4.863 4.340 -0.000 0.000 0.288 620 R C 0.701 176.991 176.300 -0.017 0.000 1.051 620 R CA -0.081 56.017 56.100 -0.003 0.000 1.021 620 R CB 0.969 31.264 30.300 -0.008 0.000 1.032 620 R HN 0.492 nan 8.270 nan 0.000 0.481 621 V N 3.963 123.857 119.914 -0.033 0.000 2.334 621 V HA 0.382 4.501 4.120 -0.000 0.000 0.267 621 V C -0.155 175.880 176.094 -0.098 0.000 1.040 621 V CA -0.684 61.578 62.300 -0.063 0.000 0.866 621 V CB 0.483 32.255 31.823 -0.085 0.000 1.019 621 V HN 0.521 nan 8.190 nan 0.000 0.468 622 L N 7.490 128.668 121.223 -0.076 0.000 2.322 622 L HA 0.636 4.976 4.340 -0.000 0.000 0.279 622 L C -1.904 174.929 176.870 -0.062 0.000 1.036 622 L CA -1.869 52.930 54.840 -0.069 0.000 0.807 622 L CB 2.469 44.502 42.059 -0.043 0.000 1.226 622 L HN 0.405 nan 8.230 nan 0.000 0.433 623 P HA 0.360 nan 4.420 nan 0.000 0.293 623 P C -1.209 176.147 177.300 0.094 0.000 1.304 623 P CA -0.494 62.644 63.100 0.064 0.000 0.767 623 P CB 1.864 33.593 31.700 0.048 0.000 1.247 624 L N -0.397 120.906 121.223 0.134 0.000 2.614 624 L HA 0.269 4.609 4.340 -0.000 0.000 0.264 624 L C -0.589 176.322 176.870 0.068 0.000 0.940 624 L CA -0.083 54.813 54.840 0.092 0.000 0.903 624 L CB 1.921 44.031 42.059 0.084 0.000 1.306 624 L HN 0.327 nan 8.230 nan 0.000 0.410 625 S N 3.940 119.678 115.700 0.064 0.000 2.638 625 S HA 0.693 5.163 4.470 -0.000 0.000 0.298 625 S C -2.669 171.953 174.600 0.037 0.000 1.111 625 S CA -1.107 57.113 58.200 0.034 0.000 1.027 625 S CB 2.067 65.290 63.200 0.037 0.000 1.064 625 S HN 0.386 nan 8.310 nan 0.000 0.525 626 P HA 0.496 nan 4.420 nan 0.000 0.292 626 P C -1.687 175.619 177.300 0.010 0.000 1.283 626 P CA -0.541 62.563 63.100 0.008 0.000 0.835 626 P CB 1.262 32.951 31.700 -0.019 0.000 1.017 627 A N 4.297 127.123 122.820 0.010 0.000 2.337 627 A HA 0.593 4.913 4.320 -0.000 0.000 0.329 627 A C -2.195 175.374 177.584 -0.025 0.000 1.146 627 A CA -1.989 50.043 52.037 -0.009 0.000 0.800 627 A CB 0.208 19.197 19.000 -0.020 0.000 1.220 627 A HN 0.301 nan 8.150 nan 0.000 0.472 628 P HA 0.061 nan 4.420 nan 0.000 0.290 628 P C -0.501 176.774 177.300 -0.041 0.000 1.584 628 P CA 0.439 63.522 63.100 -0.030 0.000 0.813 628 P CB -0.635 31.049 31.700 -0.027 0.000 1.775 629 I N 0.074 120.615 120.570 -0.048 0.000 2.638 629 I HA 0.068 4.238 4.170 -0.000 0.000 0.286 629 I C 1.120 177.213 176.117 -0.040 0.000 1.088 629 I CA -0.497 60.766 61.300 -0.062 0.000 1.397 629 I CB 0.640 38.588 38.000 -0.086 0.000 1.414 629 I HN -0.080 nan 8.210 nan 0.000 0.566 630 E N 6.111 126.287 120.200 -0.039 0.000 1.941 630 E HA 0.111 4.461 4.350 -0.000 0.000 0.275 630 E C -0.805 175.788 176.600 -0.012 0.000 1.113 630 E CA -0.496 55.892 56.400 -0.021 0.000 0.878 630 E CB 0.025 29.713 29.700 -0.019 0.000 1.070 630 E HN 0.528 nan 8.360 nan 0.000 0.399 631 N N 1.830 120.532 118.700 0.003 0.000 2.502 631 N HA 0.347 5.087 4.740 -0.000 0.000 0.280 631 N C 0.716 176.250 175.510 0.041 0.000 1.223 631 N CA -0.606 52.459 53.050 0.025 0.000 0.966 631 N CB 0.544 39.056 38.487 0.041 0.000 1.203 631 N HN 0.265 nan 8.380 nan 0.000 0.565 632 G N -0.772 108.070 108.800 0.069 0.000 3.318 632 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.230 632 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.230 632 G C -0.075 174.884 174.900 0.099 0.000 1.317 632 G CA -0.259 44.894 45.100 0.088 0.000 1.197 632 G HN 0.617 nan 8.290 nan 0.000 0.514 633 E N -1.071 119.166 120.200 0.062 0.000 2.282 633 E HA -0.260 4.090 4.350 -0.000 0.000 0.228 633 E C 0.834 177.451 176.600 0.027 0.000 1.314 633 E CA 0.943 57.361 56.400 0.030 0.000 0.716 633 E CB -1.498 28.208 29.700 0.009 0.000 1.167 633 E HN 0.632 nan 8.360 nan 0.000 0.372 634 A N 1.411 124.298 122.820 0.111 0.000 2.478 634 A HA 0.339 4.659 4.320 -0.000 0.000 0.327 634 A C 0.371 178.023 177.584 0.113 0.000 1.431 634 A CA -0.390 51.764 52.037 0.196 0.000 1.014 634 A CB 0.340 19.640 19.000 0.500 0.000 1.143 634 A HN 0.100 nan 8.150 nan 0.000 0.532 635 E N 0.800 120.870 120.200 -0.216 0.000 3.301 635 E HA -0.017 4.333 4.350 -0.000 0.000 0.323 635 E C 1.252 177.906 176.600 0.089 0.000 0.974 635 E CA 1.743 58.026 56.400 -0.196 0.000 1.037 635 E CB 0.337 29.719 29.700 -0.531 0.000 1.140 635 E HN 0.833 nan 8.360 nan 0.000 0.472 636 G N 0.075 108.928 108.800 0.087 0.000 2.494 636 G HA2 0.392 4.352 3.960 -0.000 0.000 0.270 636 G HA3 0.392 4.352 3.960 -0.000 0.000 0.270 636 G C 0.558 175.692 174.900 0.391 0.000 1.423 636 G CA 0.013 45.239 45.100 0.211 0.000 1.055 636 G HN 0.588 nan 8.290 nan 0.000 0.536 637 A N -1.421 121.650 122.820 0.419 0.000 2.021 637 A HA 0.173 4.493 4.320 -0.000 0.000 0.216 637 A C 2.249 179.926 177.584 0.154 0.000 1.163 637 A CA 0.926 53.234 52.037 0.452 0.000 0.676 637 A CB -0.393 18.851 19.000 0.408 0.000 0.818 637 A HN 0.462 nan 8.150 nan 0.000 0.453 638 L N -0.511 120.782 121.223 0.116 0.000 2.042 638 L HA -0.215 4.125 4.340 -0.000 0.000 0.210 638 L C 2.478 179.371 176.870 0.038 0.000 1.076 638 L CA 2.407 57.290 54.840 0.071 0.000 0.749 638 L CB -0.461 41.653 42.059 0.090 0.000 0.893 638 L HN 0.453 nan 8.230 nan 0.000 0.432 639 Q N -1.477 118.333 119.800 0.017 0.000 2.049 639 Q HA -0.098 4.242 4.340 -0.000 0.000 0.198 639 Q C 2.151 178.135 176.000 -0.026 0.000 0.971 639 Q CA 1.836 57.617 55.803 -0.037 0.000 0.833 639 Q CB -0.252 28.411 28.738 -0.125 0.000 0.896 639 Q HN 0.368 nan 8.270 nan 0.000 0.434 640 V N 0.523 120.435 119.914 -0.003 0.000 2.233 640 V HA -0.301 3.819 4.120 -0.000 0.000 0.247 640 V C 2.291 178.315 176.094 -0.117 0.000 1.050 640 V CA 1.848 64.130 62.300 -0.029 0.000 1.010 640 V CB -0.731 30.963 31.823 -0.216 0.000 0.637 640 V HN 0.397 nan 8.190 nan 0.000 0.444 641 L N -0.064 121.044 121.223 -0.191 0.000 1.978 641 L HA -0.294 4.046 4.340 -0.000 0.000 0.218 641 L C 2.762 179.575 176.870 -0.094 0.000 1.075 641 L CA 2.083 56.789 54.840 -0.224 0.000 0.767 641 L CB -0.890 41.054 42.059 -0.191 0.000 0.890 641 L HN 0.423 nan 8.230 nan 0.000 0.434 642 A N -0.538 122.255 122.820 -0.045 0.000 1.958 642 A HA -0.271 4.049 4.320 -0.000 0.000 0.221 642 A C 2.136 179.716 177.584 -0.006 0.000 1.178 642 A CA 2.101 54.136 52.037 -0.003 0.000 0.642 642 A CB -0.678 18.331 19.000 0.015 0.000 0.816 642 A HN 0.380 nan 8.150 nan 0.000 0.453 643 L N -0.642 120.569 121.223 -0.021 0.000 1.993 643 L HA -0.007 4.333 4.340 -0.000 0.000 0.206 643 L C 2.303 179.244 176.870 0.119 0.000 1.074 643 L CA 2.098 56.924 54.840 -0.023 0.000 0.746 643 L CB -0.609 41.444 42.059 -0.010 0.000 0.896 643 L HN 0.452 nan 8.230 nan 0.000 0.435 644 L N -0.517 120.765 121.223 0.099 0.000 2.349 644 L HA -0.132 4.208 4.340 -0.000 0.000 0.220 644 L C 2.185 179.119 176.870 0.106 0.000 1.130 644 L CA 1.349 56.269 54.840 0.133 0.000 0.791 644 L CB -0.372 41.715 42.059 0.047 0.000 0.918 644 L HN 0.362 nan 8.230 nan 0.000 0.444 645 A N -0.778 122.081 122.820 0.066 0.000 2.014 645 A HA -0.118 4.202 4.320 -0.000 0.000 0.218 645 A C 2.149 179.787 177.584 0.089 0.000 1.163 645 A CA 1.054 53.124 52.037 0.054 0.000 0.652 645 A CB -0.319 18.699 19.000 0.030 0.000 0.808 645 A HN 0.517 nan 8.150 nan 0.000 0.449 646 E N 0.099 120.387 120.200 0.148 0.000 2.031 646 E HA -0.158 4.192 4.350 -0.000 0.000 0.193 646 E C 2.394 179.102 176.600 0.179 0.000 0.994 646 E CA 1.183 57.705 56.400 0.204 0.000 0.800 646 E CB -0.429 29.493 29.700 0.370 0.000 0.752 646 E HN 0.543 nan 8.360 nan 0.000 0.447 647 A N 1.172 124.111 122.820 0.199 0.000 1.986 647 A HA -0.179 4.141 4.320 -0.000 0.000 0.220 647 A C 2.230 179.823 177.584 0.015 0.000 1.171 647 A CA 1.259 53.327 52.037 0.052 0.000 0.640 647 A CB -0.528 18.500 19.000 0.047 0.000 0.811 647 A HN 0.171 nan 8.150 nan 0.000 0.451 648 L N -3.244 118.003 121.223 0.039 0.000 2.298 648 L HA 0.300 4.640 4.340 -0.000 0.000 0.209 648 L C 1.777 178.655 176.870 0.013 0.000 1.084 648 L CA 0.703 55.550 54.840 0.012 0.000 0.816 648 L CB -0.275 41.795 42.059 0.019 0.000 0.967 648 L HN 0.601 nan 8.230 nan 0.000 0.460 649 G N -0.601 108.218 108.800 0.032 0.000 1.876 649 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.059 649 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.059 649 G C -0.242 174.680 174.900 0.037 0.000 0.755 649 G CA -0.113 45.003 45.100 0.027 0.000 1.092 649 G HN -0.170 nan 8.290 nan 0.000 0.322 650 V N 1.868 121.801 119.914 0.032 0.000 3.747 650 V HA 0.409 4.529 4.120 -0.000 0.000 0.299 650 V C 0.954 177.075 176.094 0.045 0.000 1.103 650 V CA 1.417 63.738 62.300 0.036 0.000 1.154 650 V CB 0.710 32.553 31.823 0.034 0.000 1.127 650 V HN 1.048 nan 8.190 nan 0.000 0.482 651 R N -0.646 119.883 120.500 0.048 0.000 2.638 651 R HA 0.458 4.798 4.340 -0.000 0.000 0.269 651 R C -2.856 173.490 176.300 0.076 0.000 1.393 651 R CA -1.977 54.156 56.100 0.055 0.000 1.531 651 R CB -1.593 28.732 30.300 0.042 0.000 1.327 651 R HN 0.456 nan 8.270 nan 0.000 0.709 652 P HA -0.110 nan 4.420 nan 0.000 0.268 652 P C -1.877 175.549 177.300 0.210 0.000 1.140 652 P CA -0.292 62.921 63.100 0.188 0.000 0.751 652 P CB 0.399 32.240 31.700 0.234 0.000 0.740 653 P HA -0.138 nan 4.420 nan 0.000 0.233 653 P C -0.393 176.729 177.300 -0.296 0.000 1.157 653 P CA 1.170 64.189 63.100 -0.135 0.000 0.764 653 P CB -0.361 31.189 31.700 -0.251 0.000 0.798 654 F N -0.321 119.616 119.950 -0.021 0.000 2.415 654 F HA 0.416 4.943 4.527 -0.000 0.000 0.348 654 F C 1.651 177.436 175.800 -0.024 0.000 1.119 654 F CA -0.455 57.531 58.000 -0.023 0.000 1.069 654 F CB 1.347 40.336 39.000 -0.017 0.000 1.124 654 F HN -0.183 nan 8.300 nan 0.000 0.472 655 R N 1.915 122.482 120.500 0.111 0.000 4.137 655 R HA 0.322 4.662 4.340 -0.000 0.000 0.082 655 R C -0.561 175.763 176.300 0.040 0.000 0.716 655 R CA -0.376 55.755 56.100 0.051 0.000 1.733 655 R CB 0.362 30.665 30.300 0.006 0.000 1.564 655 R HN 0.487 nan 8.270 nan 0.000 0.427 656 L N -1.191 120.045 121.223 0.022 0.000 2.304 656 L HA 0.645 4.985 4.340 -0.000 0.000 0.268 656 L C 1.172 178.077 176.870 0.059 0.000 1.010 656 L CA -0.930 53.930 54.840 0.034 0.000 0.813 656 L CB 1.046 43.110 42.059 0.008 0.000 1.315 656 L HN -0.018 nan 8.230 nan 0.000 0.445 657 H N 0.494 119.551 119.070 -0.022 0.000 2.256 657 H HA -0.065 4.491 4.556 -0.000 0.000 0.301 657 H C 1.833 177.131 175.328 -0.050 0.000 1.062 657 H CA 2.376 58.405 56.048 -0.032 0.000 1.283 657 H CB -0.058 29.681 29.762 -0.038 0.000 1.379 657 H HN 0.654 nan 8.280 nan 0.000 0.493 658 L N 0.325 121.513 121.223 -0.059 0.000 2.123 658 L HA -0.266 4.074 4.340 -0.000 0.000 0.217 658 L C 1.750 178.523 176.870 -0.162 0.000 1.081 658 L CA 1.977 56.745 54.840 -0.119 0.000 0.772 658 L CB -0.163 41.883 42.059 -0.022 0.000 0.890 658 L HN 0.478 nan 8.230 nan 0.000 0.437 659 E N -0.611 119.504 120.200 -0.141 0.000 2.190 659 E HA -0.022 4.327 4.350 -0.000 0.000 0.191 659 E C 2.085 178.540 176.600 -0.243 0.000 0.978 659 E CA 0.978 57.279 56.400 -0.165 0.000 0.839 659 E CB -0.116 29.501 29.700 -0.138 0.000 0.787 659 E HN 0.581 nan 8.360 nan 0.000 0.473 660 A N 1.333 124.008 122.820 -0.242 0.000 2.119 660 A HA -0.129 4.191 4.320 -0.000 0.000 0.217 660 A C 2.031 179.483 177.584 -0.220 0.000 1.153 660 A CA 0.773 52.655 52.037 -0.258 0.000 0.692 660 A CB -0.125 18.875 19.000 -0.000 0.000 0.799 660 A HN 0.036 nan 8.150 nan 0.000 0.458 661 Q N 0.400 120.031 119.800 -0.282 0.000 2.046 661 Q HA -0.121 4.219 4.340 -0.000 0.000 0.200 661 Q C 1.773 177.689 176.000 -0.139 0.000 0.975 661 Q CA 1.490 57.150 55.803 -0.238 0.000 0.836 661 Q CB -0.383 28.187 28.738 -0.280 0.000 0.896 661 Q HN 0.697 nan 8.270 nan 0.000 0.428 662 K N 0.601 120.913 120.400 -0.146 0.000 2.160 662 K HA -0.124 4.196 4.320 -0.000 0.000 0.206 662 K C 2.010 178.547 176.600 -0.105 0.000 1.047 662 K CA 1.122 57.344 56.287 -0.109 0.000 0.930 662 K CB -0.156 32.274 32.500 -0.116 0.000 0.720 662 K HN 0.136 nan 8.250 nan 0.000 0.450 663 A N 1.262 123.990 122.820 -0.152 0.000 1.933 663 A HA -0.110 4.210 4.320 -0.000 0.000 0.218 663 A C 2.070 179.653 177.584 -0.001 0.000 1.175 663 A CA 1.168 53.134 52.037 -0.119 0.000 0.628 663 A CB -0.370 18.463 19.000 -0.278 0.000 0.814 663 A HN 0.149 nan 8.150 nan 0.000 0.444 664 L N -1.075 120.150 121.223 0.004 0.000 2.127 664 L HA -0.048 4.292 4.340 -0.000 0.000 0.203 664 L C 2.538 179.416 176.870 0.014 0.000 1.080 664 L CA 1.429 56.287 54.840 0.030 0.000 0.768 664 L CB -0.402 41.683 42.059 0.043 0.000 0.924 664 L HN 0.414 nan 8.230 nan 0.000 0.444 665 K N 0.832 121.232 120.400 -0.001 0.000 2.281 665 K HA -0.177 4.143 4.320 -0.000 0.000 0.203 665 K C 1.978 178.576 176.600 -0.004 0.000 1.046 665 K CA 1.087 57.374 56.287 0.001 0.000 0.938 665 K CB 0.058 32.553 32.500 -0.009 0.000 0.737 665 K HN 0.270 nan 8.250 nan 0.000 0.458 666 A N 1.642 124.456 122.820 -0.010 0.000 1.845 666 A HA -0.123 4.197 4.320 -0.000 0.000 0.215 666 A C 1.834 179.419 177.584 0.001 0.000 1.195 666 A CA 1.238 53.270 52.037 -0.009 0.000 0.616 666 A CB -0.431 18.561 19.000 -0.015 0.000 0.832 666 A HN 0.321 nan 8.150 nan 0.000 0.443 667 R N -0.099 120.404 120.500 0.004 0.000 2.366 667 R HA 0.031 4.371 4.340 -0.000 0.000 0.201 667 R C -0.528 175.771 176.300 -0.001 0.000 1.057 667 R CA 0.451 56.550 56.100 -0.001 0.000 1.086 667 R CB -0.393 29.899 30.300 -0.013 0.000 0.914 667 R HN 0.495 nan 8.270 nan 0.000 0.476 668 K N 0.283 120.686 120.400 0.005 0.000 3.619 668 K HA -0.142 4.178 4.320 -0.000 0.000 0.275 668 K C -0.846 175.761 176.600 0.012 0.000 0.993 668 K CA 0.286 56.580 56.287 0.011 0.000 0.787 668 K CB -1.186 31.323 32.500 0.015 0.000 1.431 668 K HN 0.029 nan 8.250 nan 0.000 0.451 669 V N 1.829 121.751 119.914 0.013 0.000 2.370 669 V HA 0.299 4.419 4.120 -0.000 0.000 0.279 669 V C -1.893 174.214 176.094 0.022 0.000 1.029 669 V CA -2.175 60.134 62.300 0.016 0.000 0.870 669 V CB 1.275 33.111 31.823 0.021 0.000 0.984 669 V HN 0.219 nan 8.190 nan 0.000 0.451 670 P HA 0.026 nan 4.420 nan 0.000 0.264 670 P C 0.100 177.398 177.300 -0.003 0.000 1.173 670 P CA 0.423 63.528 63.100 0.009 0.000 0.761 670 P CB 0.766 32.470 31.700 0.008 0.000 0.794 671 E N 2.562 122.756 120.200 -0.010 0.000 2.081 671 E HA 0.257 4.607 4.350 -0.000 0.000 0.213 671 E C 0.156 176.687 176.600 -0.116 0.000 0.921 671 E CA 0.504 56.886 56.400 -0.031 0.000 0.936 671 E CB -0.514 29.189 29.700 0.005 0.000 0.981 671 E HN 0.466 nan 8.360 nan 0.000 0.502 672 A N 0.408 123.175 122.820 -0.089 0.000 2.274 672 A HA 0.490 4.810 4.320 -0.000 0.000 0.309 672 A C -0.017 177.526 177.584 -0.069 0.000 1.226 672 A CA -0.095 51.875 52.037 -0.112 0.000 0.853 672 A CB 0.536 19.493 19.000 -0.071 0.000 1.146 672 A HN 0.492 nan 8.150 nan 0.000 0.518 673 M N 0.183 119.738 119.600 -0.074 0.000 2.891 673 M HA -0.179 4.301 4.480 -0.000 0.000 0.178 673 M C 0.954 177.236 176.300 -0.030 0.000 0.649 673 M CA 1.300 56.574 55.300 -0.043 0.000 0.675 673 M CB -2.289 30.294 32.600 -0.027 0.000 2.440 673 M HN 1.111 nan 8.290 nan 0.000 0.288 674 G N 0.635 109.415 108.800 -0.033 0.000 2.614 674 G HA2 0.302 4.262 3.960 -0.000 0.000 0.239 674 G HA3 0.302 4.262 3.960 -0.000 0.000 0.239 674 G C 0.045 174.941 174.900 -0.006 0.000 1.240 674 G CA -0.283 44.808 45.100 -0.015 0.000 0.842 674 G HN 0.407 nan 8.290 nan 0.000 0.584 675 R N 0.884 121.390 120.500 0.009 0.000 2.343 675 R HA 0.329 4.669 4.340 -0.000 0.000 0.320 675 R C -0.690 175.631 176.300 0.035 0.000 0.956 675 R CA -0.794 55.319 56.100 0.021 0.000 0.836 675 R CB 0.981 31.296 30.300 0.024 0.000 1.151 675 R HN 0.371 nan 8.270 nan 0.000 0.450 676 L N 4.824 126.075 121.223 0.047 0.000 2.257 676 L HA 0.353 4.693 4.340 -0.000 0.000 0.290 676 L C -0.675 176.262 176.870 0.112 0.000 1.044 676 L CA 0.071 54.953 54.840 0.070 0.000 0.810 676 L CB 1.336 43.432 42.059 0.061 0.000 1.193 676 L HN 0.743 nan 8.230 nan 0.000 0.425 677 S N 5.234 121.005 115.700 0.118 0.000 2.452 677 S HA 0.599 5.069 4.470 -0.000 0.000 0.284 677 S C -0.728 174.013 174.600 0.235 0.000 1.171 677 S CA -0.585 57.698 58.200 0.138 0.000 1.064 677 S CB 0.905 64.161 63.200 0.093 0.000 0.967 677 S HN 0.552 nan 8.310 nan 0.000 0.484 678 F N 2.906 122.882 119.950 0.044 0.000 3.240 678 F HA 0.427 4.953 4.527 -0.000 0.000 0.370 678 F C -0.649 175.181 175.800 0.051 0.000 1.271 678 F CA -0.637 57.391 58.000 0.046 0.000 1.224 678 F CB 0.900 39.930 39.000 0.050 0.000 1.624 678 F HN 0.659 nan 8.300 nan 0.000 0.658 679 R N 3.920 124.166 120.500 -0.423 0.000 2.580 679 R HA 0.804 5.144 4.340 -0.000 0.000 0.267 679 R C -1.443 174.427 176.300 -0.715 0.000 1.125 679 R CA -1.055 54.778 56.100 -0.446 0.000 1.188 679 R CB 1.422 31.600 30.300 -0.204 0.000 1.155 679 R HN 0.757 nan 8.270 nan 0.000 0.586 680 L N 0.878 121.842 121.223 -0.432 0.000 2.710 680 L HA 0.246 4.586 4.340 -0.000 0.000 0.262 680 L C -1.429 175.337 176.870 -0.174 0.000 0.940 680 L CA -0.375 54.273 54.840 -0.320 0.000 0.944 680 L CB 1.519 43.381 42.059 -0.327 0.000 1.348 680 L HN 0.568 nan 8.230 nan 0.000 0.425 681 K N 4.959 125.288 120.400 -0.117 0.000 2.459 681 K HA 0.410 4.730 4.320 -0.000 0.000 0.218 681 K C -0.981 175.586 176.600 -0.056 0.000 1.067 681 K CA -0.187 56.043 56.287 -0.094 0.000 1.045 681 K CB 0.641 33.090 32.500 -0.086 0.000 1.623 681 K HN 0.650 nan 8.250 nan 0.000 0.509 682 E N 4.163 124.337 120.200 -0.044 0.000 2.354 682 E HA 0.304 4.654 4.350 -0.000 0.000 0.283 682 E C -1.812 174.785 176.600 -0.005 0.000 0.938 682 E CA -0.852 55.539 56.400 -0.014 0.000 0.777 682 E CB 1.227 30.931 29.700 0.007 0.000 1.222 682 E HN 0.465 nan 8.360 nan 0.000 0.423 683 L N 0.808 122.032 121.223 0.003 0.000 2.445 683 L HA 0.708 5.048 4.340 -0.000 0.000 0.262 683 L C -0.908 175.976 176.870 0.025 0.000 0.974 683 L CA -1.098 53.752 54.840 0.016 0.000 0.822 683 L CB 2.105 44.168 42.059 0.006 0.000 1.339 683 L HN 0.459 nan 8.230 nan 0.000 0.409 684 R N 1.644 122.167 120.500 0.038 0.000 2.575 684 R HA 0.398 4.738 4.340 -0.000 0.000 0.281 684 R C -2.715 173.616 176.300 0.052 0.000 1.272 684 R CA -1.562 54.562 56.100 0.041 0.000 1.417 684 R CB 0.418 30.744 30.300 0.043 0.000 1.121 684 R HN 0.461 nan 8.270 nan 0.000 0.583 685 P HA 0.022 nan 4.420 nan 0.000 0.267 685 P C -0.593 176.745 177.300 0.063 0.000 1.205 685 P CA -0.064 63.071 63.100 0.059 0.000 0.765 685 P CB 0.824 32.548 31.700 0.041 0.000 0.828 686 K N 1.369 121.828 120.400 0.098 0.000 3.099 686 K HA 0.103 4.423 4.320 -0.000 0.000 0.197 686 K C 0.051 176.717 176.600 0.110 0.000 1.114 686 K CA -0.375 55.957 56.287 0.074 0.000 1.024 686 K CB 0.532 33.062 32.500 0.049 0.000 0.711 686 K HN 0.479 nan 8.250 nan 0.000 0.432 687 E N 2.202 122.484 120.200 0.137 0.000 3.142 687 E HA -0.171 4.179 4.350 -0.000 0.000 0.276 687 E C -0.572 176.096 176.600 0.113 0.000 0.887 687 E CA 0.944 57.446 56.400 0.171 0.000 0.975 687 E CB 0.513 30.273 29.700 0.099 0.000 0.937 687 E HN 0.171 nan 8.360 nan 0.000 0.516 688 R N 3.094 123.698 120.500 0.174 0.000 2.892 688 R HA 0.503 4.843 4.340 -0.000 0.000 0.265 688 R C -0.721 175.630 176.300 0.085 0.000 1.025 688 R CA -0.912 55.203 56.100 0.025 0.000 0.982 688 R CB 1.681 31.848 30.300 -0.221 0.000 1.185 688 R HN 0.380 nan 8.270 nan 0.000 0.484 689 K N -0.109 120.315 120.400 0.039 0.000 2.435 689 K HA 0.764 5.084 4.320 -0.000 0.000 0.251 689 K C -0.652 175.982 176.600 0.058 0.000 0.954 689 K CA -0.898 55.422 56.287 0.054 0.000 0.820 689 K CB 2.537 35.056 32.500 0.032 0.000 1.292 689 K HN 0.777 nan 8.250 nan 0.000 0.436 690 G N -0.497 108.353 108.800 0.083 0.000 2.322 690 G HA2 0.426 4.386 3.960 -0.000 0.000 0.295 690 G HA3 0.426 4.386 3.960 -0.000 0.000 0.295 690 G C -1.049 173.942 174.900 0.152 0.000 1.369 690 G CA -0.259 44.906 45.100 0.109 0.000 0.821 690 G HN 0.486 nan 8.290 nan 0.000 0.536 691 A N -0.924 122.036 122.820 0.234 0.000 2.348 691 A HA 0.715 5.035 4.320 -0.000 0.000 0.224 691 A C -0.125 177.685 177.584 0.377 0.000 1.227 691 A CA 0.342 52.541 52.037 0.270 0.000 0.885 691 A CB -0.033 19.131 19.000 0.272 0.000 0.933 691 A HN 0.442 nan 8.150 nan 0.000 0.506 692 F N -1.438 118.564 119.950 0.087 0.000 2.492 692 F HA 0.566 5.093 4.527 -0.000 0.000 0.327 692 F C -0.571 175.348 175.800 0.199 0.000 1.079 692 F CA -1.614 56.453 58.000 0.113 0.000 0.967 692 F CB 1.414 40.465 39.000 0.086 0.000 1.169 692 F HN 0.136 nan 8.300 nan 0.000 0.472 693 Y N 3.846 124.224 120.300 0.130 0.000 2.332 693 Y HA 0.462 5.012 4.550 -0.000 0.000 0.326 693 Y C -0.995 174.938 175.900 0.054 0.000 0.978 693 Y CA -1.699 56.455 58.100 0.090 0.000 1.205 693 Y CB 0.924 39.411 38.460 0.046 0.000 1.131 693 Y HN 0.449 nan 8.280 nan 0.000 0.462 694 L N 7.486 128.624 121.223 -0.141 0.000 2.451 694 L HA 0.213 4.553 4.340 -0.000 0.000 0.272 694 L C 0.926 177.419 176.870 -0.627 0.000 1.258 694 L CA 0.072 54.736 54.840 -0.292 0.000 1.132 694 L CB -0.280 41.658 42.059 -0.200 0.000 1.361 694 L HN 0.531 nan 8.230 nan 0.000 0.438 695 R N 5.936 126.066 120.500 -0.616 0.000 2.486 695 R HA 0.067 4.407 4.340 -0.000 0.000 0.303 695 R C -2.118 173.970 176.300 -0.352 0.000 0.958 695 R CA -1.062 54.709 56.100 -0.548 0.000 1.077 695 R CB 0.453 30.567 30.300 -0.310 0.000 0.921 695 R HN 0.234 nan 8.270 nan 0.000 0.406 696 P HA 0.010 nan 4.420 nan 0.000 0.269 696 P C -0.786 176.452 177.300 -0.103 0.000 1.209 696 P CA 0.094 63.085 63.100 -0.181 0.000 0.776 696 P CB 1.195 32.837 31.700 -0.097 0.000 0.876 697 T N -1.206 113.283 114.554 -0.110 0.000 2.812 697 T HA 0.398 4.748 4.350 -0.000 0.000 0.294 697 T C 0.927 175.596 174.700 -0.052 0.000 1.159 697 T CA -0.830 61.240 62.100 -0.050 0.000 1.008 697 T CB 1.446 70.298 68.868 -0.027 0.000 1.289 697 T HN 0.344 nan 8.240 nan 0.000 0.514 698 M N -0.486 119.085 119.600 -0.048 0.000 2.171 698 M HA 0.303 4.783 4.480 -0.000 0.000 0.260 698 M C -0.275 175.924 176.300 -0.169 0.000 1.087 698 M CA 0.471 55.670 55.300 -0.169 0.000 1.154 698 M CB 0.118 32.526 32.600 -0.319 0.000 1.331 698 M HN 0.653 nan 8.290 nan 0.000 0.431 699 W N 2.678 123.944 121.300 -0.056 0.000 2.158 699 W HA 0.140 4.800 4.660 -0.000 0.000 0.339 699 W C -0.110 176.350 176.519 -0.098 0.000 1.294 699 W CA -0.372 56.937 57.345 -0.061 0.000 1.231 699 W CB 0.234 29.664 29.460 -0.050 0.000 1.143 699 W HN -0.026 nan 8.180 nan 0.000 0.571 700 K N 1.597 122.086 120.400 0.149 0.000 2.207 700 K HA 0.455 4.774 4.320 -0.000 0.000 0.255 700 K C 0.771 177.345 176.600 -0.044 0.000 0.941 700 K CA -0.356 55.947 56.287 0.027 0.000 0.825 700 K CB 1.377 33.902 32.500 0.042 0.000 1.119 700 K HN 0.401 nan 8.250 nan 0.000 0.430 701 A N 2.053 124.887 122.820 0.022 0.000 1.927 701 A HA -0.208 4.112 4.320 -0.000 0.000 0.220 701 A C 1.198 178.733 177.584 -0.081 0.000 1.185 701 A CA 1.873 53.904 52.037 -0.010 0.000 0.639 701 A CB -1.022 18.009 19.000 0.052 0.000 0.820 701 A HN 0.854 nan 8.150 nan 0.000 0.451 702 H N -0.632 118.308 119.070 -0.216 0.000 2.689 702 H HA 0.215 4.771 4.556 -0.000 0.000 0.290 702 H C 0.749 175.771 175.328 -0.510 0.000 1.089 702 H CA 0.950 56.788 56.048 -0.350 0.000 1.194 702 H CB -0.521 28.936 29.762 -0.509 0.000 1.289 702 H HN 0.685 nan 8.280 nan 0.000 0.616 703 Q N -0.013 119.457 119.800 -0.550 0.000 2.245 703 Q HA 0.303 4.643 4.340 -0.000 0.000 0.236 703 Q C 0.877 176.775 176.000 -0.170 0.000 0.842 703 Q CA 0.190 55.751 55.803 -0.402 0.000 0.945 703 Q CB 0.877 29.485 28.738 -0.217 0.000 1.122 703 Q HN 0.486 nan 8.270 nan 0.000 0.506 704 A N 1.850 124.559 122.820 -0.185 0.000 3.152 704 A HA 0.276 4.596 4.320 -0.000 0.000 0.280 704 A C -0.110 177.404 177.584 -0.116 0.000 2.009 704 A CA 0.432 52.360 52.037 -0.183 0.000 1.494 704 A CB -0.874 18.032 19.000 -0.155 0.000 0.941 704 A HN 0.067 nan 8.150 nan 0.000 0.601 705 V N -0.447 119.405 119.914 -0.104 0.000 3.188 705 V HA 0.808 4.928 4.120 -0.000 0.000 0.305 705 V C 1.280 177.314 176.094 -0.101 0.000 1.232 705 V CA -0.289 61.982 62.300 -0.048 0.000 1.043 705 V CB 0.826 32.691 31.823 0.071 0.000 1.068 705 V HN 1.481 nan 8.190 nan 0.000 0.439 706 G N 1.974 110.727 108.800 -0.078 0.000 2.690 706 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.334 706 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.334 706 G C 0.733 175.512 174.900 -0.201 0.000 1.250 706 G CA 0.964 46.003 45.100 -0.101 0.000 0.994 706 G HN 0.704 nan 8.290 nan 0.000 0.549 707 K N 1.232 121.474 120.400 -0.264 0.000 2.365 707 K HA 0.374 4.694 4.320 -0.000 0.000 0.197 707 K C 2.569 178.625 176.600 -0.906 0.000 1.042 707 K CA 1.370 57.374 56.287 -0.472 0.000 0.987 707 K CB -0.405 31.885 32.500 -0.350 0.000 0.779 707 K HN 0.712 nan 8.250 nan 0.000 0.484 708 A N 0.965 123.343 122.820 -0.736 0.000 2.208 708 A HA -0.050 4.270 4.320 -0.000 0.000 0.209 708 A C 2.029 179.243 177.584 -0.617 0.000 1.161 708 A CA 0.314 51.846 52.037 -0.841 0.000 0.782 708 A CB -0.195 18.522 19.000 -0.472 0.000 0.816 708 A HN 0.276 nan 8.150 nan 0.000 0.477 709 Q N -0.222 119.319 119.800 -0.431 0.000 2.065 709 Q HA -0.250 4.090 4.340 -0.000 0.000 0.213 709 Q C 1.464 177.270 176.000 -0.323 0.000 1.012 709 Q CA 2.046 57.666 55.803 -0.304 0.000 0.876 709 Q CB -0.102 28.498 28.738 -0.230 0.000 0.954 709 Q HN 0.577 nan 8.270 nan 0.000 0.413 710 E N -1.184 118.806 120.200 -0.349 0.000 2.435 710 E HA 0.013 4.363 4.350 -0.000 0.000 0.195 710 E C 0.955 177.340 176.600 -0.359 0.000 1.029 710 E CA 0.531 56.754 56.400 -0.295 0.000 0.865 710 E CB 0.362 29.927 29.700 -0.224 0.000 0.833 710 E HN 0.319 nan 8.360 nan 0.000 0.510 711 A N 0.047 122.526 122.820 -0.568 0.000 2.307 711 A HA 0.388 4.708 4.320 -0.000 0.000 0.218 711 A C 1.688 178.724 177.584 -0.914 0.000 1.228 711 A CA 0.854 52.450 52.037 -0.734 0.000 0.857 711 A CB 0.142 18.551 19.000 -0.986 0.000 0.897 711 A HN 0.169 nan 8.150 nan 0.000 0.495 712 A N -0.427 122.041 122.820 -0.587 0.000 1.964 712 A HA 0.316 4.636 4.320 -0.000 0.000 0.198 712 A C 1.099 178.566 177.584 -0.195 0.000 1.599 712 A CA -0.284 51.526 52.037 -0.378 0.000 0.968 712 A CB -0.016 18.785 19.000 -0.332 0.000 1.029 712 A HN 0.360 nan 8.150 nan 0.000 0.508 713 R N 0.992 121.384 120.500 -0.180 0.000 2.583 713 R HA 0.306 4.646 4.340 -0.000 0.000 0.274 713 R C 0.782 177.028 176.300 -0.090 0.000 0.998 713 R CA 0.232 56.264 56.100 -0.114 0.000 1.081 713 R CB 0.202 30.438 30.300 -0.107 0.000 0.940 713 R HN 0.529 nan 8.270 nan 0.000 0.413 718 A N 1.436 123.615 122.820 -1.070 0.000 3.411 718 A HA 0.468 4.788 4.320 -0.000 0.000 0.238 718 A C -0.293 176.985 177.584 -0.511 0.000 1.140 718 A CA -0.097 51.531 52.037 -0.682 0.000 0.980 718 A CB -0.538 18.276 19.000 -0.310 0.000 1.371 718 A HN 0.318 nan 8.150 nan 0.000 0.700 719 H N -0.213 118.778 119.070 -0.131 0.000 2.027 719 H HA 0.272 4.828 4.556 -0.000 0.000 0.209 719 H C -1.857 173.433 175.328 -0.062 0.000 0.903 719 H CA 0.399 56.410 56.048 -0.062 0.000 1.078 719 H CB -1.380 28.383 29.762 0.002 0.000 1.248 719 H HN 0.518 nan 8.280 nan 0.000 0.432 720 P HA 0.203 nan 4.420 nan 0.000 0.284 720 P C -0.025 177.239 177.300 -0.059 0.000 1.258 720 P CA -0.254 62.846 63.100 0.000 0.000 0.824 720 P CB 1.645 33.355 31.700 0.016 0.000 1.038 721 E N 0.813 120.984 120.200 -0.048 0.000 2.194 721 E HA 0.388 4.738 4.350 -0.000 0.000 0.284 721 E C -0.551 176.011 176.600 -0.063 0.000 1.035 721 E CA 0.219 56.581 56.400 -0.062 0.000 0.836 721 E CB 0.496 30.171 29.700 -0.042 0.000 1.070 721 E HN 0.380 nan 8.360 nan 0.000 0.401 722 T N 1.231 115.734 114.554 -0.085 0.000 4.012 722 T HA 0.209 4.559 4.350 -0.000 0.000 0.167 722 T C -0.089 174.550 174.700 -0.102 0.000 0.566 722 T CA -0.270 61.783 62.100 -0.079 0.000 1.112 722 T CB -0.013 68.802 68.868 -0.087 0.000 1.206 722 T HN 0.553 nan 8.240 nan 0.000 0.544 723 A N 2.359 125.125 122.820 -0.090 0.000 2.667 723 A HA 0.012 4.332 4.320 -0.000 0.000 0.225 723 A C 1.968 179.493 177.584 -0.098 0.000 1.190 723 A CA 0.662 52.641 52.037 -0.097 0.000 0.961 723 A CB 0.397 19.360 19.000 -0.061 0.000 1.011 723 A HN 0.716 nan 8.150 nan 0.000 0.503 724 R N 1.480 121.919 120.500 -0.101 0.000 2.075 724 R HA -0.031 4.309 4.340 -0.000 0.000 0.232 724 R C 1.228 177.520 176.300 -0.013 0.000 1.126 724 R CA 1.402 57.464 56.100 -0.063 0.000 0.963 724 R CB -1.709 28.564 30.300 -0.046 0.000 0.858 724 R HN 1.132 nan 8.270 nan 0.000 0.435 725 A N 2.628 125.440 122.820 -0.013 0.000 2.898 725 A HA 0.032 4.352 4.320 -0.000 0.000 0.288 725 A C 0.094 177.681 177.584 0.005 0.000 1.771 725 A CA 0.235 52.273 52.037 0.002 0.000 1.383 725 A CB -0.390 18.610 19.000 -0.001 0.000 1.028 725 A HN 0.392 nan 8.150 nan 0.000 0.595 726 E N 0.848 121.057 120.200 0.015 0.000 3.085 726 E HA 0.340 4.690 4.350 -0.000 0.000 0.179 726 E C 0.242 176.862 176.600 0.032 0.000 0.951 726 E CA 0.469 56.882 56.400 0.022 0.000 1.326 726 E CB 0.499 30.211 29.700 0.020 0.000 1.043 726 E HN 1.387 nan 8.360 nan 0.000 0.457 727 A N 0.860 123.698 122.820 0.030 0.000 2.996 727 A HA -0.194 4.126 4.320 -0.000 0.000 0.257 727 A C -0.071 177.538 177.584 0.042 0.000 1.394 727 A CA 0.691 52.748 52.037 0.033 0.000 0.820 727 A CB -2.169 16.849 19.000 0.031 0.000 1.054 727 A HN 0.272 nan 8.150 nan 0.000 0.619 728 L N -0.007 121.247 121.223 0.051 0.000 2.337 728 L HA 0.424 4.764 4.340 -0.000 0.000 0.269 728 L C -1.997 174.925 176.870 0.087 0.000 1.018 728 L CA -1.910 52.972 54.840 0.069 0.000 0.876 728 L CB 1.156 43.263 42.059 0.080 0.000 1.236 728 L HN 0.139 nan 8.230 nan 0.000 0.436 729 P HA 0.084 nan 4.420 nan 0.000 0.274 729 P C -0.491 176.841 177.300 0.053 0.000 1.260 729 P CA -0.486 62.646 63.100 0.053 0.000 0.793 729 P CB 0.566 32.280 31.700 0.023 0.000 1.048 730 E N 0.635 120.844 120.200 0.014 0.000 2.217 730 E HA 0.271 4.621 4.350 -0.000 0.000 0.279 730 E C 1.046 177.570 176.600 -0.127 0.000 1.068 730 E CA 0.420 56.769 56.400 -0.085 0.000 0.882 730 E CB -0.094 29.544 29.700 -0.104 0.000 1.039 730 E HN 0.771 nan 8.360 nan 0.000 0.418 731 G N 2.704 111.397 108.800 -0.178 0.000 2.221 731 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.265 731 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.265 731 G C 0.292 175.143 174.900 -0.081 0.000 1.041 731 G CA 0.269 45.280 45.100 -0.149 0.000 0.807 731 G HN 0.697 nan 8.290 nan 0.000 0.502 732 A N -0.231 122.561 122.820 -0.046 0.000 2.301 732 A HA 0.732 5.052 4.320 -0.000 0.000 0.312 732 A C 0.443 178.018 177.584 -0.014 0.000 1.182 732 A CA -0.438 51.584 52.037 -0.024 0.000 0.826 732 A CB 0.692 19.689 19.000 -0.004 0.000 1.134 732 A HN 0.307 nan 8.150 nan 0.000 0.501 733 Q N 1.635 121.425 119.800 -0.017 0.000 2.324 733 Q HA 0.317 4.657 4.340 -0.000 0.000 0.257 733 Q C 0.274 176.276 176.000 0.003 0.000 1.080 733 Q CA 0.032 55.828 55.803 -0.012 0.000 0.907 733 Q CB 0.655 29.381 28.738 -0.021 0.000 1.274 733 Q HN 0.714 nan 8.270 nan 0.000 0.434 734 V N -0.744 119.180 119.914 0.015 0.000 3.284 734 V HA 0.988 5.108 4.120 -0.000 0.000 0.309 734 V C -0.382 175.731 176.094 0.033 0.000 1.190 734 V CA -1.084 61.234 62.300 0.029 0.000 1.038 734 V CB 1.735 33.586 31.823 0.047 0.000 1.198 734 V HN 0.627 nan 8.190 nan 0.000 0.465 735 A N 0.131 122.977 122.820 0.043 0.000 2.356 735 A HA 0.938 5.257 4.320 -0.000 0.000 0.323 735 A C -0.864 176.762 177.584 0.070 0.000 1.119 735 A CA -0.685 51.379 52.037 0.045 0.000 0.790 735 A CB 1.788 20.807 19.000 0.032 0.000 1.273 735 A HN 1.501 nan 8.150 nan 0.000 0.452 736 V N 0.846 120.804 119.914 0.073 0.000 2.851 736 V HA 0.484 4.604 4.120 -0.000 0.000 0.307 736 V C -0.646 175.473 176.094 0.040 0.000 1.129 736 V CA -0.565 61.792 62.300 0.095 0.000 0.932 736 V CB 1.906 33.844 31.823 0.192 0.000 1.024 736 V HN 1.015 nan 8.190 nan 0.000 0.426 737 E N 2.294 122.478 120.200 -0.025 0.000 2.199 737 E HA 0.757 5.106 4.350 -0.000 0.000 0.265 737 E C -0.792 175.728 176.600 -0.134 0.000 0.882 737 E CA -0.316 56.054 56.400 -0.051 0.000 0.759 737 E CB 2.096 31.768 29.700 -0.046 0.000 1.148 737 E HN 0.933 nan 8.360 nan 0.000 0.412 738 T N 0.698 115.216 114.554 -0.059 0.000 2.865 738 T HA 0.413 4.763 4.350 -0.000 0.000 0.294 738 T C -2.249 172.467 174.700 0.027 0.000 1.119 738 T CA -1.862 60.211 62.100 -0.046 0.000 1.007 738 T CB 1.454 70.351 68.868 0.048 0.000 1.225 738 T HN 0.144 nan 8.240 nan 0.000 0.515 739 P HA -0.013 nan 4.420 nan 0.000 0.218 739 P C 0.437 177.594 177.300 -0.240 0.000 1.146 739 P CA 1.060 64.080 63.100 -0.134 0.000 0.820 739 P CB -0.187 31.396 31.700 -0.195 0.000 0.778 740 F N -1.221 118.695 119.950 -0.058 0.000 2.664 740 F HA 0.427 4.954 4.527 -0.000 0.000 0.301 740 F C 1.630 177.424 175.800 -0.010 0.000 1.126 740 F CA 0.462 58.443 58.000 -0.033 0.000 1.373 740 F CB -0.465 38.542 39.000 0.012 0.000 1.042 740 F HN -0.078 nan 8.300 nan 0.000 0.535 741 G N 0.612 109.469 108.800 0.095 0.000 2.462 741 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.685 741 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.685 741 G C -1.208 173.736 174.900 0.073 0.000 1.295 741 G CA -1.223 43.924 45.100 0.078 0.000 0.941 741 G HN 0.266 nan 8.290 nan 0.000 0.554 742 R N -0.607 119.931 120.500 0.064 0.000 2.393 742 R HA 0.749 5.088 4.340 -0.000 0.000 0.310 742 R C -0.140 176.191 176.300 0.052 0.000 0.968 742 R CA -0.130 55.999 56.100 0.048 0.000 0.867 742 R CB 1.477 31.798 30.300 0.035 0.000 1.124 742 R HN 1.679 nan 8.270 nan 0.000 0.450 743 V N 0.475 120.418 119.914 0.050 0.000 3.048 743 V HA 0.457 4.577 4.120 -0.000 0.000 0.303 743 V C -0.900 175.214 176.094 0.034 0.000 1.214 743 V CA -1.151 61.172 62.300 0.038 0.000 0.984 743 V CB 1.816 33.666 31.823 0.045 0.000 1.054 743 V HN 0.944 nan 8.190 nan 0.000 0.430 744 E N 3.381 123.590 120.200 0.015 0.000 2.283 744 E HA 0.899 5.249 4.350 -0.000 0.000 0.271 744 E C -0.103 176.499 176.600 0.003 0.000 1.031 744 E CA -0.323 56.084 56.400 0.011 0.000 0.868 744 E CB 2.160 31.859 29.700 -0.002 0.000 1.094 744 E HN 1.406 nan 8.360 nan 0.000 0.401 745 A N 2.122 124.947 122.820 0.008 0.000 3.065 745 A HA 0.798 5.118 4.320 -0.000 0.000 0.293 745 A C -1.249 176.333 177.584 -0.003 0.000 1.213 745 A CA -0.947 51.090 52.037 -0.001 0.000 0.667 745 A CB 1.296 20.303 19.000 0.012 0.000 1.412 745 A HN 0.801 nan 8.150 nan 0.000 0.601 746 R N -1.628 118.873 120.500 0.001 0.000 2.563 746 R HA 0.498 4.838 4.340 -0.000 0.000 0.262 746 R C 0.063 176.372 176.300 0.015 0.000 1.128 746 R CA -0.085 56.010 56.100 -0.009 0.000 0.969 746 R CB 0.962 31.233 30.300 -0.048 0.000 1.251 746 R HN 2.179 nan 8.270 nan 0.000 0.442 747 V N 0.034 119.974 119.914 0.043 0.000 1.840 747 V HA -0.267 3.853 4.120 -0.000 0.000 0.071 747 V C 0.579 176.909 176.094 0.394 0.000 0.454 747 V CA 1.640 64.040 62.300 0.167 0.000 1.424 747 V CB -1.734 29.920 31.823 -0.282 0.000 1.688 747 V HN 0.779 nan 8.190 nan 0.000 0.841 748 V N 4.657 124.694 119.914 0.205 0.000 2.954 748 V HA -0.157 3.963 4.120 -0.000 0.000 0.254 748 V C 2.254 178.436 176.094 0.147 0.000 0.947 748 V CA 1.367 63.746 62.300 0.132 0.000 1.154 748 V CB -0.632 31.202 31.823 0.019 0.000 0.870 748 V HN 1.025 nan 8.190 nan 0.000 0.470 749 H N 5.188 124.347 119.070 0.148 0.000 2.325 749 H HA -0.171 4.385 4.556 -0.000 0.000 0.293 749 H C 1.621 176.897 175.328 -0.087 0.000 1.106 749 H CA 2.114 58.166 56.048 0.006 0.000 1.247 749 H CB -0.067 29.697 29.762 0.002 0.000 1.359 749 H HN 0.671 nan 8.280 nan 0.000 0.488 750 R N -1.047 119.324 120.500 -0.215 0.000 3.057 750 R HA 0.302 4.642 4.340 -0.000 0.000 0.108 750 R C -0.680 175.484 176.300 -0.226 0.000 0.620 750 R CA -0.666 55.312 56.100 -0.203 0.000 0.400 750 R CB 0.931 31.187 30.300 -0.074 0.000 0.615 750 R HN -0.046 nan 8.270 nan 0.000 0.330 751 E N 1.905 121.998 120.200 -0.179 0.000 2.145 751 E HA 0.227 4.577 4.350 -0.000 0.000 0.262 751 E C -1.487 174.992 176.600 -0.202 0.000 0.883 751 E CA -0.355 55.969 56.400 -0.127 0.000 0.748 751 E CB 1.413 31.122 29.700 0.015 0.000 1.140 751 E HN 0.317 nan 8.360 nan 0.000 0.417 752 D N 0.922 121.208 120.400 -0.189 0.000 2.423 752 D HA 0.202 4.842 4.640 -0.000 0.000 0.238 752 D C 0.450 176.666 176.300 -0.140 0.000 1.142 752 D CA 0.243 54.142 54.000 -0.169 0.000 0.884 752 D CB 0.892 41.623 40.800 -0.115 0.000 1.199 752 D HN 0.201 nan 8.370 nan 0.000 0.438 753 V N -0.809 119.005 119.914 -0.167 0.000 3.103 753 V HA 0.789 4.909 4.120 -0.000 0.000 0.311 753 V C -2.868 173.119 176.094 -0.177 0.000 1.322 753 V CA -1.623 60.550 62.300 -0.211 0.000 1.063 753 V CB 1.875 33.415 31.823 -0.472 0.000 1.090 753 V HN 0.421 nan 8.190 nan 0.000 0.462 754 P HA 0.457 nan 4.420 nan 0.000 0.339 754 P C -1.639 175.595 177.300 -0.110 0.000 1.229 754 P CA -0.626 62.455 63.100 -0.032 0.000 0.786 754 P CB 0.562 32.360 31.700 0.162 0.000 1.800 755 K N -0.107 120.334 120.400 0.069 0.000 2.258 755 K HA 0.557 4.877 4.320 -0.000 0.000 0.284 755 K C 0.220 176.846 176.600 0.043 0.000 1.051 755 K CA -0.265 55.954 56.287 -0.114 0.000 0.923 755 K CB -0.507 31.717 32.500 -0.460 0.000 1.046 755 K HN 0.721 nan 8.250 nan 0.000 0.474 756 G N 3.741 112.543 108.800 0.004 0.000 2.401 756 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.283 756 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.283 756 G C -0.811 174.356 174.900 0.445 0.000 1.117 756 G CA 0.092 45.225 45.100 0.056 0.000 1.051 756 G HN 1.171 nan 8.290 nan 0.000 0.510 757 H N -2.294 116.736 119.070 -0.067 0.000 3.057 757 H HA 0.408 4.964 4.556 -0.000 0.000 0.295 757 H C -0.752 174.522 175.328 -0.091 0.000 1.131 757 H CA -1.542 54.488 56.048 -0.029 0.000 1.560 757 H CB -0.025 29.619 29.762 -0.197 0.000 2.108 757 H HN 0.656 nan 8.280 nan 0.000 0.487 758 L N 1.189 122.439 121.223 0.046 0.000 3.263 758 L HA 0.267 4.607 4.340 -0.000 0.000 0.349 758 L C -0.763 176.210 176.870 0.172 0.000 1.313 758 L CA -0.325 54.498 54.840 -0.028 0.000 0.830 758 L CB -0.555 41.492 42.059 -0.018 0.000 1.271 758 L HN 0.439 nan 8.230 nan 0.000 0.596 759 Y N 0.515 120.896 120.300 0.135 0.000 2.480 759 Y HA 0.733 5.283 4.550 -0.000 0.000 0.323 759 Y C 0.232 176.285 175.900 0.255 0.000 1.267 759 Y CA -0.744 57.471 58.100 0.191 0.000 1.336 759 Y CB 1.179 39.725 38.460 0.142 0.000 1.361 759 Y HN -0.025 nan 8.280 nan 0.000 0.518 760 L N 1.175 122.717 121.223 0.533 0.000 2.343 760 L HA 0.589 4.929 4.340 -0.000 0.000 0.275 760 L C 0.039 177.062 176.870 0.255 0.000 1.056 760 L CA -0.038 55.019 54.840 0.361 0.000 0.804 760 L CB 1.406 43.614 42.059 0.249 0.000 1.203 760 L HN 0.712 nan 8.230 nan 0.000 0.440 761 S N 0.230 116.064 115.700 0.224 0.000 2.880 761 S HA 0.900 5.370 4.470 -0.000 0.000 0.308 761 S C -0.706 173.923 174.600 0.049 0.000 1.195 761 S CA -0.596 57.678 58.200 0.123 0.000 0.866 761 S CB 0.829 64.121 63.200 0.153 0.000 1.254 761 S HN 0.742 nan 8.310 nan 0.000 0.571 762 A N 0.720 123.509 122.820 -0.050 0.000 2.440 762 A HA 0.568 4.888 4.320 -0.000 0.000 0.251 762 A C 0.004 177.352 177.584 -0.394 0.000 1.089 762 A CA -0.534 51.420 52.037 -0.137 0.000 0.779 762 A CB -0.434 18.492 19.000 -0.122 0.000 1.022 762 A HN 0.975 nan 8.150 nan 0.000 0.492 763 L N 2.254 123.276 121.223 -0.335 0.000 2.452 763 L HA 0.603 4.943 4.340 -0.000 0.000 0.267 763 L C 0.507 177.128 176.870 -0.416 0.000 1.188 763 L CA 0.719 55.245 54.840 -0.523 0.000 0.821 763 L CB 1.035 43.129 42.059 0.059 0.000 1.102 763 L HN 0.919 nan 8.230 nan 0.000 0.470 764 G N 3.963 112.529 108.800 -0.389 0.000 3.247 764 G HA2 0.144 4.104 3.960 -0.000 0.000 0.243 764 G HA3 0.144 4.104 3.960 -0.000 0.000 0.243 764 G C -2.916 171.980 174.900 -0.007 0.000 3.838 764 G CA -0.297 44.717 45.100 -0.144 0.000 0.438 764 G HN 0.490 nan 8.290 nan 0.000 0.304 765 P HA 0.437 nan 4.420 nan 0.000 0.206 765 P C 0.841 178.185 177.300 0.073 0.000 1.854 765 P CA -0.047 63.133 63.100 0.134 0.000 0.969 765 P CB 0.454 32.266 31.700 0.185 0.000 1.843 766 A N 1.354 124.200 122.820 0.042 0.000 2.602 766 A HA 0.211 4.530 4.320 -0.000 0.000 0.256 766 A C 0.855 178.457 177.584 0.031 0.000 0.956 766 A CA 0.746 52.800 52.037 0.028 0.000 0.878 766 A CB -0.258 18.753 19.000 0.018 0.000 0.834 766 A HN 0.551 nan 8.150 nan 0.000 0.473 767 A N 0.000 122.835 122.820 0.025 0.000 2.254 767 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 767 A CA 0.000 52.051 52.037 0.023 0.000 0.836 767 A CB 0.000 19.014 19.000 0.023 0.000 0.831 767 A HN 0.000 nan 8.150 nan 0.000 0.486