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 2zjk_1_C DATA FIRST_RESID 1 DATA SEQUENCE EMVDNLRGKS GQGYYVEMTV GSPPQTLNIL VDTGSSNFAV GAAPHPFLHR DATA SEQUENCE YYQRQLSSTY RDLRKGVYVP YCQGKWEGEL GTDLVSIPHG PNVTVRANIA DATA SEQUENCE AITESDKFFI NGSNWEGILG LAYAEIARPD DSLEPFFDSL VKQTHVPNLF DATA SEQUENCE SLQLcGAXXX XXXXXXXXXV GGSMIIGGID HSLYTGSLWY TPIRREWYYE DATA SEQUENCE VIIVRVEING QDLKMDcKEY NYDKSIVDSG TTNLRLPKKV FEAAVKSIKA DATA SEQUENCE ASSTEKFPDG FWLGEQLVcW QAGTTPWNIF PVISLYLMGE VTNQSFRITI DATA SEQUENCE LPQQYLRPVX XXXXXXDDcY KFAISQSSTG TVMGAVIMEG FYVVFDRARK DATA SEQUENCE RIGFAVSAcH VHDEFRTAAV EGPFVTLDME DcGYNXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXRGSFV 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 E HA 0.000 nan 4.350 nan 0.000 0.291 1 E C 0.000 176.705 176.600 0.176 0.000 1.382 1 E CA 0.000 56.492 56.400 0.153 0.000 0.976 1 E CB 0.000 29.786 29.700 0.143 0.000 0.812 2 M N 0.588 120.298 119.600 0.183 0.000 2.501 2 M HA 0.178 4.658 4.480 -0.000 0.000 0.261 2 M C 0.267 176.638 176.300 0.117 0.000 1.129 2 M CA 0.299 55.695 55.300 0.160 0.000 1.126 2 M CB 0.531 33.226 32.600 0.158 0.000 1.359 2 M HN -0.196 nan 8.290 nan 0.000 0.471 3 V N 2.595 122.578 119.914 0.114 0.000 2.617 3 V HA -0.122 3.998 4.120 -0.000 0.000 0.304 3 V C 0.491 176.604 176.094 0.031 0.000 1.040 3 V CA 0.783 63.127 62.300 0.074 0.000 1.149 3 V CB 0.040 31.903 31.823 0.067 0.000 0.914 3 V HN 0.595 nan 8.190 nan 0.000 0.487 4 D N 2.965 123.374 120.400 0.016 0.000 2.800 4 D HA -0.179 4.461 4.640 -0.000 0.000 0.232 4 D C 0.830 177.100 176.300 -0.050 0.000 1.137 4 D CA 1.062 55.053 54.000 -0.014 0.000 0.718 4 D CB -0.740 40.045 40.800 -0.025 0.000 1.084 4 D HN 0.900 nan 8.370 nan 0.000 0.432 5 N N -0.154 118.531 118.700 -0.025 0.000 2.270 5 N HA 0.077 4.817 4.740 -0.000 0.000 0.198 5 N C 0.182 175.671 175.510 -0.035 0.000 1.117 5 N CA 0.056 53.080 53.050 -0.044 0.000 0.845 5 N CB 0.101 38.613 38.487 0.043 0.000 0.980 5 N HN 0.386 nan 8.380 nan 0.000 0.486 6 L N 0.416 121.617 121.223 -0.037 0.000 2.334 6 L HA 0.561 4.901 4.340 -0.000 0.000 0.276 6 L C 0.284 177.065 176.870 -0.148 0.000 1.014 6 L CA -0.819 53.984 54.840 -0.061 0.000 0.815 6 L CB 1.577 43.661 42.059 0.042 0.000 1.268 6 L HN -0.061 nan 8.230 nan 0.000 0.428 7 R N 1.120 121.366 120.500 -0.422 0.000 2.905 7 R HA 0.896 5.236 4.340 -0.000 0.000 0.260 7 R C -0.553 175.278 176.300 -0.781 0.000 1.086 7 R CA -0.868 54.905 56.100 -0.544 0.000 0.978 7 R CB 2.182 32.154 30.300 -0.547 0.000 1.215 7 R HN 0.821 nan 8.270 nan 0.000 0.480 8 G N 0.411 108.950 108.800 -0.435 0.000 2.313 8 G HA2 0.247 4.207 3.960 -0.000 0.000 0.296 8 G HA3 0.247 4.207 3.960 -0.000 0.000 0.296 8 G C -1.714 173.120 174.900 -0.110 0.000 1.356 8 G CA -0.773 44.201 45.100 -0.210 0.000 0.833 8 G HN 0.243 nan 8.290 nan 0.000 0.552 9 K N -0.106 120.266 120.400 -0.047 0.000 2.328 9 K HA 0.643 4.963 4.320 -0.000 0.000 0.246 9 K C -0.007 176.547 176.600 -0.076 0.000 0.955 9 K CA -0.699 55.562 56.287 -0.042 0.000 0.817 9 K CB 2.142 34.653 32.500 0.018 0.000 1.208 9 K HN 0.518 nan 8.250 nan 0.000 0.432 10 S N 0.734 116.404 115.700 -0.050 0.000 2.629 10 S HA 0.139 4.609 4.470 -0.000 0.000 0.302 10 S C 1.005 175.608 174.600 0.006 0.000 1.244 10 S CA 1.336 59.522 58.200 -0.023 0.000 1.098 10 S CB -0.809 62.397 63.200 0.010 0.000 0.858 10 S HN 0.855 nan 8.310 nan 0.000 0.502 11 G N 4.216 113.027 108.800 0.019 0.000 2.143 11 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.248 11 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.248 11 G C 0.273 175.214 174.900 0.068 0.000 0.991 11 G CA 0.606 45.738 45.100 0.054 0.000 0.689 11 G HN 0.729 nan 8.290 nan 0.000 0.522 12 Q N -0.667 119.172 119.800 0.064 0.000 2.139 12 Q HA 0.469 4.809 4.340 -0.000 0.000 0.219 12 Q C 1.076 177.203 176.000 0.213 0.000 0.805 12 Q CA 0.259 56.150 55.803 0.147 0.000 1.024 12 Q CB 1.216 30.034 28.738 0.133 0.000 1.163 12 Q HN 1.708 nan 8.270 nan 0.000 0.485 13 G N 0.677 109.531 108.800 0.090 0.000 2.758 13 G HA2 -0.270 3.689 3.960 -0.000 0.000 0.686 13 G HA3 -0.270 3.689 3.960 -0.000 0.000 0.686 13 G C -1.211 173.699 174.900 0.017 0.000 1.389 13 G CA -0.880 44.262 45.100 0.070 0.000 0.845 13 G HN 0.166 nan 8.290 nan 0.000 0.572 14 Y N 0.108 120.407 120.300 -0.001 0.000 2.342 14 Y HA 0.662 5.212 4.550 0.000 0.000 0.334 14 Y C 0.665 176.560 175.900 -0.008 0.000 1.067 14 Y CA -0.164 57.919 58.100 -0.028 0.000 1.128 14 Y CB 1.778 40.207 38.460 -0.052 0.000 1.200 14 Y HN 0.796 nan 8.280 nan 0.000 0.464 15 Y N 0.280 120.644 120.300 0.106 0.000 2.477 15 Y HA 0.788 5.338 4.550 -0.000 0.000 0.347 15 Y C -1.655 174.289 175.900 0.072 0.000 0.981 15 Y CA -1.622 56.511 58.100 0.055 0.000 1.033 15 Y CB 0.839 39.362 38.460 0.106 0.000 1.245 15 Y HN 0.434 nan 8.280 nan 0.000 0.455 16 V N 2.803 122.836 119.914 0.199 0.000 2.769 16 V HA 0.367 4.487 4.120 -0.000 0.000 0.312 16 V C -0.544 175.667 176.094 0.195 0.000 1.058 16 V CA -0.867 61.516 62.300 0.139 0.000 0.952 16 V CB 1.775 33.632 31.823 0.056 0.000 1.019 16 V HN 0.973 nan 8.190 nan 0.000 0.445 17 E N 5.183 125.499 120.200 0.193 0.000 2.257 17 E HA 0.392 4.742 4.350 -0.000 0.000 0.278 17 E C -0.823 175.837 176.600 0.101 0.000 1.049 17 E CA -0.133 56.374 56.400 0.178 0.000 0.876 17 E CB 0.699 30.533 29.700 0.223 0.000 1.035 17 E HN 0.612 nan 8.360 nan 0.000 0.419 18 M N 2.271 121.911 119.600 0.067 0.000 2.644 18 M HA 0.326 4.805 4.480 -0.000 0.000 0.304 18 M C -0.441 175.875 176.300 0.025 0.000 1.215 18 M CA -0.918 54.391 55.300 0.015 0.000 0.871 18 M CB 2.408 34.989 32.600 -0.032 0.000 1.740 18 M HN 0.461 nan 8.290 nan 0.000 0.464 19 T N -0.201 114.360 114.554 0.012 0.000 2.856 19 T HA 0.824 5.174 4.350 -0.000 0.000 0.283 19 T C -0.569 174.139 174.700 0.014 0.000 1.008 19 T CA -0.788 61.320 62.100 0.014 0.000 0.997 19 T CB 1.433 70.309 68.868 0.014 0.000 0.992 19 T HN 0.639 nan 8.240 nan 0.000 0.454 20 V N -1.073 118.835 119.914 -0.010 0.000 2.876 20 V HA 0.995 5.115 4.120 -0.000 0.000 0.312 20 V C 0.539 176.650 176.094 0.029 0.000 1.085 20 V CA -0.103 62.171 62.300 -0.045 0.000 0.945 20 V CB 0.684 32.338 31.823 -0.281 0.000 1.017 20 V HN 1.919 nan 8.190 nan 0.000 0.428 21 G N 2.698 111.556 108.800 0.096 0.000 2.860 21 G HA2 0.245 4.205 3.960 -0.000 0.000 0.553 21 G HA3 0.245 4.205 3.960 -0.000 0.000 0.553 21 G C -0.279 174.693 174.900 0.119 0.000 1.439 21 G CA -0.170 45.040 45.100 0.183 0.000 0.879 21 G HN 2.502 nan 8.290 nan 0.000 0.545 22 S N 0.604 116.373 115.700 0.115 0.000 2.571 22 S HA 0.800 5.270 4.470 -0.000 0.000 0.284 22 S C -2.365 172.275 174.600 0.067 0.000 1.128 22 S CA -0.962 57.283 58.200 0.076 0.000 0.970 22 S CB 3.003 66.241 63.200 0.063 0.000 1.039 22 S HN 0.855 nan 8.310 nan 0.000 0.485 23 P HA 0.248 nan 4.420 nan 0.000 0.268 23 P C -2.766 174.561 177.300 0.046 0.000 1.208 23 P CA -1.062 62.061 63.100 0.038 0.000 0.777 23 P CB -1.061 30.654 31.700 0.025 0.000 0.875 24 P HA 0.129 nan 4.420 nan 0.000 0.267 24 P C -0.494 176.826 177.300 0.034 0.000 1.205 24 P CA 0.487 63.609 63.100 0.037 0.000 0.765 24 P CB 0.252 31.966 31.700 0.023 0.000 0.828 25 Q N 1.592 121.418 119.800 0.044 0.000 2.372 25 Q HA 0.254 4.594 4.340 -0.000 0.000 0.259 25 Q C -0.306 175.707 176.000 0.022 0.000 0.993 25 Q CA -0.385 55.440 55.803 0.037 0.000 0.854 25 Q CB 0.823 29.610 28.738 0.082 0.000 1.231 25 Q HN 0.374 nan 8.270 nan 0.000 0.462 26 T N 3.867 118.430 114.554 0.014 0.000 2.870 26 T HA 0.339 4.689 4.350 -0.000 0.000 0.300 26 T C -0.091 174.620 174.700 0.020 0.000 0.989 26 T CA 0.178 62.290 62.100 0.019 0.000 1.139 26 T CB 0.205 69.086 68.868 0.021 0.000 0.920 26 T HN 0.349 nan 8.240 nan 0.000 0.537 27 L N 3.255 124.498 121.223 0.033 0.000 2.415 27 L HA 0.464 4.804 4.340 -0.000 0.000 0.256 27 L C -0.090 176.823 176.870 0.071 0.000 1.010 27 L CA -1.005 53.858 54.840 0.038 0.000 0.826 27 L CB 2.342 44.417 42.059 0.027 0.000 1.405 27 L HN 0.559 nan 8.230 nan 0.000 0.410 28 N N 2.096 120.836 118.700 0.067 0.000 2.425 28 N HA 0.538 5.278 4.740 -0.000 0.000 0.268 28 N C -1.245 174.358 175.510 0.155 0.000 0.991 28 N CA -0.615 52.501 53.050 0.109 0.000 0.931 28 N CB 1.450 39.895 38.487 -0.070 0.000 1.130 28 N HN 0.236 nan 8.380 nan 0.000 0.493 29 I N 2.954 123.637 120.570 0.187 0.000 2.406 29 I HA 0.263 4.433 4.170 -0.000 0.000 0.290 29 I C 0.099 176.258 176.117 0.071 0.000 0.999 29 I CA -0.705 60.676 61.300 0.134 0.000 1.124 29 I CB 1.542 39.617 38.000 0.125 0.000 1.289 29 I HN 0.447 nan 8.210 nan 0.000 0.441 30 L N 6.564 127.703 121.223 -0.140 0.000 2.416 30 L HA 0.241 4.581 4.340 -0.000 0.000 0.272 30 L C -0.296 176.454 176.870 -0.199 0.000 1.161 30 L CA -0.156 54.489 54.840 -0.326 0.000 0.845 30 L CB 0.971 42.433 42.059 -0.995 0.000 1.119 30 L HN 0.332 nan 8.230 nan 0.000 0.464 31 V N 4.449 124.293 119.914 -0.118 0.000 2.368 31 V HA 0.222 4.342 4.120 -0.000 0.000 0.266 31 V C -0.438 175.590 176.094 -0.111 0.000 1.045 31 V CA -0.236 61.997 62.300 -0.111 0.000 0.899 31 V CB 1.033 32.811 31.823 -0.075 0.000 1.006 31 V HN 0.708 nan 8.190 nan 0.000 0.470 32 D N 3.124 123.452 120.400 -0.119 0.000 2.542 32 D HA 0.295 4.935 4.640 -0.000 0.000 0.252 32 D C 0.841 177.109 176.300 -0.054 0.000 1.222 32 D CA -0.301 53.658 54.000 -0.068 0.000 0.895 32 D CB 1.907 42.672 40.800 -0.059 0.000 1.207 32 D HN 0.556 nan 8.370 nan 0.000 0.558 33 T N 0.231 114.763 114.554 -0.037 0.000 3.188 33 T HA 0.291 4.641 4.350 -0.000 0.000 0.250 33 T C 1.222 176.017 174.700 0.160 0.000 1.077 33 T CA -0.054 62.048 62.100 0.002 0.000 0.967 33 T CB 0.291 69.016 68.868 -0.238 0.000 1.006 33 T HN 0.317 nan 8.240 nan 0.000 0.552 34 G N 0.792 109.670 108.800 0.131 0.000 3.651 34 G HA2 0.493 4.452 3.960 -0.000 0.000 0.279 34 G HA3 0.493 4.452 3.960 -0.000 0.000 0.279 34 G C 0.099 175.086 174.900 0.145 0.000 1.024 34 G CA 0.014 45.233 45.100 0.199 0.000 0.813 34 G HN 0.719 nan 8.290 nan 0.000 0.518 35 S N -1.968 113.769 115.700 0.062 0.000 2.688 35 S HA 0.676 5.146 4.470 -0.000 0.000 0.275 35 S C 0.054 174.653 174.600 -0.002 0.000 1.175 35 S CA -0.182 58.040 58.200 0.037 0.000 0.818 35 S CB 1.756 65.031 63.200 0.125 0.000 1.157 35 S HN -0.053 nan 8.310 nan 0.000 0.482 36 S N -0.179 115.536 115.700 0.025 0.000 2.728 36 S HA 0.345 4.815 4.470 -0.000 0.000 0.257 36 S C -0.185 174.478 174.600 0.104 0.000 1.060 36 S CA -0.361 57.858 58.200 0.031 0.000 1.126 36 S CB -0.245 62.959 63.200 0.007 0.000 1.099 36 S HN 0.699 nan 8.310 nan 0.000 0.617 37 N N 1.416 120.205 118.700 0.148 0.000 2.472 37 N HA 0.361 5.101 4.740 -0.000 0.000 0.277 37 N C -1.163 174.475 175.510 0.213 0.000 1.081 37 N CA -0.247 52.926 53.050 0.206 0.000 0.973 37 N CB 0.599 39.263 38.487 0.295 0.000 1.105 37 N HN 0.263 nan 8.380 nan 0.000 0.470 38 F N 2.778 122.752 119.950 0.040 0.000 2.368 38 F HA 0.543 5.070 4.527 0.000 0.000 0.362 38 F C -0.310 175.449 175.800 -0.068 0.000 1.137 38 F CA -0.784 57.195 58.000 -0.035 0.000 1.161 38 F CB 0.227 39.220 39.000 -0.012 0.000 1.265 38 F HN 0.393 nan 8.300 nan 0.000 0.530 39 A N 6.534 129.116 122.820 -0.398 0.000 2.330 39 A HA 0.698 5.018 4.320 -0.000 0.000 0.313 39 A C -1.229 176.018 177.584 -0.561 0.000 1.124 39 A CA -0.558 51.120 52.037 -0.599 0.000 0.774 39 A CB 1.333 19.715 19.000 -1.030 0.000 1.198 39 A HN 0.802 nan 8.150 nan 0.000 0.465 40 V N 0.252 119.881 119.914 -0.475 0.000 2.769 40 V HA 0.922 5.042 4.120 -0.000 0.000 0.312 40 V C 0.444 176.519 176.094 -0.033 0.000 1.061 40 V CA -0.284 61.870 62.300 -0.243 0.000 0.931 40 V CB 1.337 32.958 31.823 -0.337 0.000 1.010 40 V HN 1.430 nan 8.190 nan 0.000 0.433 41 G N 1.713 110.562 108.800 0.081 0.000 2.299 41 G HA2 0.489 4.449 3.960 -0.000 0.000 0.256 41 G HA3 0.489 4.449 3.960 -0.000 0.000 0.256 41 G C 0.647 175.621 174.900 0.124 0.000 1.259 41 G CA 0.233 45.390 45.100 0.096 0.000 0.943 41 G HN 1.689 nan 8.290 nan 0.000 0.479 42 A N 2.235 125.106 122.820 0.085 0.000 2.192 42 A HA 0.742 5.062 4.320 -0.000 0.000 0.208 42 A C 1.411 178.929 177.584 -0.109 0.000 1.220 42 A CA 1.068 53.146 52.037 0.068 0.000 0.900 42 A CB 0.260 19.267 19.000 0.011 0.000 0.937 42 A HN 1.335 nan 8.150 nan 0.000 0.487 43 A N 0.919 123.597 122.820 -0.237 0.000 2.340 43 A HA 0.665 4.985 4.320 -0.000 0.000 0.331 43 A C -2.745 174.419 177.584 -0.700 0.000 1.140 43 A CA -1.952 49.815 52.037 -0.451 0.000 0.801 43 A CB 0.412 19.295 19.000 -0.196 0.000 1.234 43 A HN 0.080 nan 8.150 nan 0.000 0.469 44 P HA -0.008 nan 4.420 nan 0.000 0.259 44 P C -0.492 176.647 177.300 -0.267 0.000 1.635 44 P CA 0.452 63.160 63.100 -0.652 0.000 1.199 44 P CB -0.463 30.983 31.700 -0.424 0.000 1.850 45 H N 4.421 123.313 119.070 -0.297 0.000 2.582 45 H HA 0.138 4.694 4.556 -0.000 0.000 0.345 45 H C -1.366 173.813 175.328 -0.249 0.000 1.104 45 H CA -1.573 54.336 56.048 -0.231 0.000 1.390 45 H CB 1.056 30.706 29.762 -0.187 0.000 1.461 45 H HN 0.035 nan 8.280 nan 0.000 0.551 46 P HA -0.218 nan 4.420 nan 0.000 0.217 46 P C 1.122 178.314 177.300 -0.181 0.000 1.162 46 P CA 1.780 64.584 63.100 -0.494 0.000 0.901 46 P CB -0.136 31.047 31.700 -0.862 0.000 0.793 47 F N -2.035 117.970 119.950 0.092 0.000 2.748 47 F HA 0.057 4.584 4.527 -0.000 0.000 0.299 47 F C 1.086 176.683 175.800 -0.339 0.000 1.154 47 F CA -0.486 57.469 58.000 -0.074 0.000 1.446 47 F CB -0.205 38.792 39.000 -0.005 0.000 1.112 47 F HN -0.174 nan 8.300 nan 0.000 0.584 48 L N 0.165 121.301 121.223 -0.146 0.000 2.276 48 L HA 0.187 4.527 4.340 -0.000 0.000 0.286 48 L C 0.865 177.602 176.870 -0.221 0.000 1.061 48 L CA -0.375 54.276 54.840 -0.315 0.000 0.807 48 L CB 0.977 42.850 42.059 -0.310 0.000 1.177 48 L HN 0.127 nan 8.230 nan 0.000 0.429 49 H N 2.214 121.250 119.070 -0.057 0.000 2.395 49 H HA 0.012 4.567 4.556 -0.000 0.000 0.299 49 H C 0.363 175.675 175.328 -0.028 0.000 1.070 49 H CA 0.761 56.788 56.048 -0.036 0.000 1.356 49 H CB 0.124 29.851 29.762 -0.058 0.000 1.401 49 H HN 0.509 nan 8.280 nan 0.000 0.524 50 R N -0.596 119.943 120.500 0.065 0.000 2.817 50 R HA 0.448 4.788 4.340 -0.000 0.000 0.268 50 R C -1.650 174.668 176.300 0.030 0.000 1.027 50 R CA -1.055 55.023 56.100 -0.037 0.000 0.928 50 R CB 1.679 31.941 30.300 -0.064 0.000 1.228 50 R HN 0.180 nan 8.270 nan 0.000 0.469 51 Y N -2.286 117.993 120.300 -0.034 0.000 2.744 51 Y HA 0.493 5.043 4.550 -0.000 0.000 0.330 51 Y C -1.671 174.264 175.900 0.057 0.000 1.263 51 Y CA -1.651 56.434 58.100 -0.025 0.000 1.065 51 Y CB 0.742 39.166 38.460 -0.061 0.000 1.306 51 Y HN 0.572 nan 8.280 nan 0.000 0.459 52 Y N 2.661 123.044 120.300 0.139 0.000 2.477 52 Y HA 0.403 4.953 4.550 -0.000 0.000 0.349 52 Y C -0.563 175.369 175.900 0.053 0.000 0.977 52 Y CA -1.286 56.831 58.100 0.029 0.000 1.214 52 Y CB 0.791 39.242 38.460 -0.015 0.000 1.124 52 Y HN 0.657 nan 8.280 nan 0.000 0.521 53 Q N 6.999 126.740 119.800 -0.098 0.000 2.472 53 Q HA 0.202 4.542 4.340 -0.000 0.000 0.227 53 Q C 0.999 176.731 176.000 -0.446 0.000 1.156 53 Q CA -0.228 55.447 55.803 -0.214 0.000 0.924 53 Q CB 0.658 29.324 28.738 -0.120 0.000 1.354 53 Q HN 0.809 nan 8.270 nan 0.000 0.525 54 R N 1.105 121.147 120.500 -0.763 0.000 2.120 54 R HA -0.189 4.151 4.340 -0.000 0.000 0.234 54 R C 2.092 178.105 176.300 -0.478 0.000 1.123 54 R CA 1.246 56.777 56.100 -0.948 0.000 0.975 54 R CB 0.093 29.597 30.300 -1.326 0.000 0.866 54 R HN 0.607 nan 8.270 nan 0.000 0.446 55 Q N 0.924 120.549 119.800 -0.292 0.000 2.297 55 Q HA -0.105 4.235 4.340 -0.000 0.000 0.204 55 Q C 1.712 177.674 176.000 -0.063 0.000 0.962 55 Q CA 1.361 57.086 55.803 -0.129 0.000 0.879 55 Q CB -0.104 28.579 28.738 -0.091 0.000 0.947 55 Q HN 0.416 nan 8.270 nan 0.000 0.462 56 L N 1.059 122.238 121.223 -0.073 0.000 2.446 56 L HA 0.162 4.502 4.340 -0.000 0.000 0.219 56 L C 1.189 178.069 176.870 0.018 0.000 1.116 56 L CA -0.073 54.753 54.840 -0.023 0.000 0.844 56 L CB 0.254 42.295 42.059 -0.030 0.000 0.970 56 L HN 0.024 nan 8.230 nan 0.000 0.457 57 S N -0.330 115.391 115.700 0.035 0.000 2.499 57 S HA 0.069 4.539 4.470 -0.000 0.000 0.275 57 S C 1.321 175.994 174.600 0.121 0.000 1.257 57 S CA -0.182 58.085 58.200 0.112 0.000 1.050 57 S CB 1.072 64.400 63.200 0.215 0.000 0.937 57 S HN 0.335 nan 8.310 nan 0.000 0.490 58 S N 2.926 118.687 115.700 0.102 0.000 2.489 58 S HA -0.055 4.415 4.470 -0.000 0.000 0.228 58 S C 1.326 175.989 174.600 0.104 0.000 0.995 58 S CA 0.823 59.077 58.200 0.090 0.000 0.934 58 S CB -0.554 62.682 63.200 0.061 0.000 0.771 58 S HN 0.843 nan 8.310 nan 0.000 0.522 59 T N -1.884 112.749 114.554 0.130 0.000 3.105 59 T HA 0.245 4.595 4.350 -0.000 0.000 0.253 59 T C 0.143 174.939 174.700 0.160 0.000 1.047 59 T CA -0.616 61.555 62.100 0.119 0.000 0.944 59 T CB -0.694 68.236 68.868 0.103 0.000 1.016 59 T HN 0.436 nan 8.240 nan 0.000 0.544 60 Y N 3.046 123.401 120.300 0.092 0.000 2.411 60 Y HA 0.449 4.999 4.550 -0.000 0.000 0.333 60 Y C 0.141 176.084 175.900 0.071 0.000 1.186 60 Y CA -0.997 57.166 58.100 0.106 0.000 1.381 60 Y CB 0.488 38.999 38.460 0.085 0.000 1.273 60 Y HN 0.046 nan 8.280 nan 0.000 0.546 61 R N 4.154 124.161 120.500 -0.823 0.000 2.628 61 R HA 0.201 4.541 4.340 -0.000 0.000 0.288 61 R C -1.765 173.952 176.300 -0.972 0.000 0.980 61 R CA -1.092 54.580 56.100 -0.713 0.000 0.891 61 R CB 1.515 31.649 30.300 -0.277 0.000 1.188 61 R HN 0.611 nan 8.270 nan 0.000 0.450 62 D N 2.996 123.029 120.400 -0.612 0.000 2.317 62 D HA 0.138 4.778 4.640 -0.000 0.000 0.234 62 D C 0.662 176.903 176.300 -0.099 0.000 1.112 62 D CA -0.295 53.550 54.000 -0.259 0.000 0.840 62 D CB 1.259 42.058 40.800 -0.001 0.000 1.078 62 D HN 0.460 nan 8.370 nan 0.000 0.486 63 L N 3.529 124.729 121.223 -0.038 0.000 2.552 63 L HA 0.100 4.440 4.340 -0.000 0.000 0.227 63 L C 0.831 177.713 176.870 0.019 0.000 1.146 63 L CA 0.075 54.913 54.840 -0.003 0.000 0.858 63 L CB -0.244 41.829 42.059 0.023 0.000 0.969 63 L HN 0.452 nan 8.230 nan 0.000 0.451 64 R N 0.715 121.236 120.500 0.034 0.000 3.188 64 R HA -0.206 4.134 4.340 -0.000 0.000 0.247 64 R C -0.128 176.194 176.300 0.037 0.000 0.918 64 R CA 0.551 56.675 56.100 0.039 0.000 0.629 64 R CB -1.861 28.455 30.300 0.026 0.000 1.087 64 R HN 0.283 nan 8.270 nan 0.000 0.462 65 K N -0.005 120.424 120.400 0.048 0.000 2.561 65 K HA 0.396 4.716 4.320 -0.000 0.000 0.254 65 K C -0.194 176.436 176.600 0.050 0.000 0.942 65 K CA -0.072 56.240 56.287 0.041 0.000 0.818 65 K CB 1.904 34.425 32.500 0.036 0.000 1.306 65 K HN 0.229 nan 8.250 nan 0.000 0.435 66 G N 1.224 110.045 108.800 0.035 0.000 2.477 66 G HA2 0.590 4.550 3.960 -0.000 0.000 0.304 66 G HA3 0.590 4.550 3.960 -0.000 0.000 0.304 66 G C -1.272 173.635 174.900 0.013 0.000 1.175 66 G CA -0.485 44.635 45.100 0.032 0.000 0.907 66 G HN 0.369 nan 8.290 nan 0.000 0.509 67 V N -0.995 118.916 119.914 -0.004 0.000 2.851 67 V HA 0.708 4.828 4.120 -0.000 0.000 0.307 67 V C -1.267 174.711 176.094 -0.193 0.000 1.129 67 V CA -0.653 61.603 62.300 -0.074 0.000 0.932 67 V CB 1.118 32.918 31.823 -0.038 0.000 1.024 67 V HN 1.272 nan 8.190 nan 0.000 0.426 68 Y N 4.425 124.575 120.300 -0.249 0.000 2.326 68 Y HA 0.818 5.368 4.550 -0.000 0.000 0.331 68 Y C -0.898 174.730 175.900 -0.454 0.000 0.962 68 Y CA -0.890 57.012 58.100 -0.330 0.000 1.167 68 Y CB 1.848 40.195 38.460 -0.189 0.000 1.148 68 Y HN 0.694 nan 8.280 nan 0.000 0.463 69 V N 7.003 126.459 119.914 -0.764 0.000 2.407 69 V HA 0.440 4.560 4.120 -0.000 0.000 0.291 69 V C -2.746 173.032 176.094 -0.528 0.000 1.018 69 V CA -2.476 59.363 62.300 -0.769 0.000 0.842 69 V CB 2.126 33.161 31.823 -1.314 0.000 0.996 69 V HN 0.838 nan 8.190 nan 0.000 0.426 70 P HA 0.289 nan 4.420 nan 0.000 0.291 70 P C -0.998 176.343 177.300 0.068 0.000 1.340 70 P CA -0.175 62.880 63.100 -0.075 0.000 0.799 70 P CB 0.498 32.167 31.700 -0.051 0.000 0.917 71 Y N 3.444 123.763 120.300 0.032 0.000 2.356 71 Y HA 0.128 4.678 4.550 -0.000 0.000 0.341 71 Y C 1.817 177.787 175.900 0.118 0.000 1.343 71 Y CA -0.624 57.569 58.100 0.156 0.000 1.570 71 Y CB 0.027 38.708 38.460 0.368 0.000 1.558 71 Y HN 0.458 nan 8.280 nan 0.000 0.557 72 C N 0.266 119.188 119.300 -0.629 0.000 2.327 72 C HA -0.337 4.123 4.460 -0.000 0.000 0.271 72 C C 2.702 177.643 174.990 -0.081 0.000 1.131 72 C CA 2.731 61.519 59.018 -0.383 0.000 1.792 72 C CB -1.659 25.800 27.740 -0.469 0.000 1.832 72 C HN 0.931 nan 8.230 nan 0.000 0.403 73 Q N -0.687 119.129 119.800 0.027 0.000 2.339 73 Q HA 0.421 4.761 4.340 -0.000 0.000 0.205 73 Q C 1.235 177.297 176.000 0.105 0.000 0.925 73 Q CA 1.484 57.326 55.803 0.064 0.000 0.898 73 Q CB -0.489 28.296 28.738 0.078 0.000 1.013 73 Q HN 0.859 nan 8.270 nan 0.000 0.504 74 G N -1.427 107.482 108.800 0.182 0.000 3.135 74 G HA2 0.701 4.661 3.960 -0.000 0.000 0.159 74 G HA3 0.701 4.661 3.960 -0.000 0.000 0.159 74 G C -0.593 174.412 174.900 0.174 0.000 1.244 74 G CA 0.362 45.572 45.100 0.184 0.000 0.965 74 G HN 1.041 nan 8.290 nan 0.000 0.599 75 K N -0.940 119.550 120.400 0.151 0.000 2.639 75 K HA 0.554 4.874 4.320 -0.000 0.000 0.279 75 K C -1.515 175.056 176.600 -0.049 0.000 0.976 75 K CA -0.382 55.913 56.287 0.014 0.000 0.861 75 K CB 0.742 33.204 32.500 -0.063 0.000 1.436 75 K HN 1.317 nan 8.250 nan 0.000 0.400 76 W N 0.985 122.091 121.300 -0.324 0.000 2.706 76 W HA 0.851 5.511 4.660 -0.000 0.000 0.346 76 W C -0.628 175.754 176.519 -0.228 0.000 1.071 76 W CA -0.661 56.437 57.345 -0.411 0.000 1.206 76 W CB 1.246 30.182 29.460 -0.874 0.000 1.413 76 W HN 0.870 nan 8.180 nan 0.000 0.542 77 E N 0.994 121.257 120.200 0.105 0.000 2.246 77 E HA 0.581 4.931 4.350 -0.000 0.000 0.266 77 E C -0.750 175.971 176.600 0.202 0.000 0.880 77 E CA -0.474 55.938 56.400 0.021 0.000 0.762 77 E CB 2.132 31.822 29.700 -0.016 0.000 1.180 77 E HN 0.773 nan 8.360 nan 0.000 0.416 78 G N 2.714 111.641 108.800 0.213 0.000 2.690 78 G HA2 0.403 4.363 3.960 -0.000 0.000 0.291 78 G HA3 0.403 4.363 3.960 -0.000 0.000 0.291 78 G C -1.275 173.724 174.900 0.166 0.000 1.403 78 G CA -0.658 44.595 45.100 0.255 0.000 0.864 78 G HN 0.469 nan 8.290 nan 0.000 0.480 79 E N 0.309 120.596 120.200 0.145 0.000 2.151 79 E HA 0.401 4.750 4.350 -0.000 0.000 0.275 79 E C -0.030 176.666 176.600 0.161 0.000 0.936 79 E CA -0.418 56.058 56.400 0.127 0.000 0.777 79 E CB 2.228 31.990 29.700 0.104 0.000 1.108 79 E HN 0.261 nan 8.360 nan 0.000 0.401 80 L N 2.021 123.332 121.223 0.148 0.000 2.466 80 L HA 0.609 4.949 4.340 -0.000 0.000 0.257 80 L C 0.781 177.757 176.870 0.176 0.000 1.189 80 L CA 0.064 54.997 54.840 0.156 0.000 0.813 80 L CB 0.691 42.821 42.059 0.119 0.000 1.118 80 L HN 0.736 nan 8.230 nan 0.000 0.471 81 G N -0.334 108.571 108.800 0.176 0.000 2.328 81 G HA2 0.450 4.410 3.960 -0.000 0.000 0.295 81 G HA3 0.450 4.410 3.960 -0.000 0.000 0.295 81 G C -1.257 173.725 174.900 0.136 0.000 1.413 81 G CA -0.162 45.020 45.100 0.136 0.000 0.817 81 G HN 0.635 nan 8.290 nan 0.000 0.546 82 T N -1.691 112.890 114.554 0.045 0.000 2.924 82 T HA 0.819 5.169 4.350 -0.000 0.000 0.291 82 T C -1.273 173.511 174.700 0.140 0.000 1.045 82 T CA -0.641 61.515 62.100 0.094 0.000 1.015 82 T CB 2.917 71.810 68.868 0.040 0.000 1.103 82 T HN 0.701 nan 8.240 nan 0.000 0.496 83 D N -0.036 120.468 120.400 0.174 0.000 2.710 83 D HA 0.302 4.942 4.640 -0.000 0.000 0.276 83 D C -0.990 175.397 176.300 0.145 0.000 1.267 83 D CA -0.638 53.476 54.000 0.190 0.000 0.772 83 D CB 1.837 42.816 40.800 0.299 0.000 1.299 83 D HN 0.656 nan 8.370 nan 0.000 0.421 84 L N 1.054 122.351 121.223 0.123 0.000 2.380 84 L HA 0.486 4.825 4.340 -0.000 0.000 0.273 84 L C -0.123 176.808 176.870 0.101 0.000 1.138 84 L CA -0.493 54.404 54.840 0.095 0.000 0.832 84 L CB 1.089 43.191 42.059 0.072 0.000 1.124 84 L HN 0.087 nan 8.230 nan 0.000 0.454 85 V N 2.063 122.043 119.914 0.109 0.000 2.789 85 V HA 0.567 4.687 4.120 -0.000 0.000 0.311 85 V C -0.285 175.864 176.094 0.092 0.000 1.073 85 V CA -0.463 61.905 62.300 0.112 0.000 0.921 85 V CB 2.147 34.074 31.823 0.173 0.000 1.009 85 V HN 0.833 nan 8.190 nan 0.000 0.426 86 S N 3.104 118.834 115.700 0.050 0.000 2.627 86 S HA 0.738 5.208 4.470 -0.000 0.000 0.283 86 S C -0.882 173.725 174.600 0.011 0.000 1.127 86 S CA -0.560 57.664 58.200 0.039 0.000 0.863 86 S CB 1.956 65.169 63.200 0.022 0.000 1.121 86 S HN 0.561 nan 8.310 nan 0.000 0.479 87 I N 2.739 123.320 120.570 0.019 0.000 2.464 87 I HA 0.281 4.451 4.170 -0.000 0.000 0.277 87 I C -2.021 174.096 176.117 -0.001 0.000 1.040 87 I CA -2.179 59.127 61.300 0.011 0.000 1.153 87 I CB 1.722 39.738 38.000 0.027 0.000 1.274 87 I HN 0.388 nan 8.210 nan 0.000 0.469 88 P HA -0.181 nan 4.420 nan 0.000 0.216 88 P C 0.342 177.489 177.300 -0.254 0.000 1.157 88 P CA 1.697 64.692 63.100 -0.176 0.000 0.880 88 P CB 0.024 31.570 31.700 -0.256 0.000 0.791 89 H N -1.357 117.740 119.070 0.045 0.000 2.579 89 H HA 0.509 5.065 4.556 -0.000 0.000 0.289 89 H C 1.003 176.367 175.328 0.060 0.000 1.270 89 H CA -0.314 55.765 56.048 0.052 0.000 1.060 89 H CB -0.315 29.476 29.762 0.049 0.000 1.554 89 H HN 0.125 nan 8.280 nan 0.000 0.515 90 G N 0.242 109.113 108.800 0.118 0.000 3.195 90 G HA2 0.286 4.246 3.960 -0.000 0.000 0.217 90 G HA3 0.286 4.246 3.960 -0.000 0.000 0.217 90 G C -2.512 172.452 174.900 0.106 0.000 1.166 90 G CA -1.296 43.872 45.100 0.112 0.000 0.812 90 G HN -0.004 nan 8.290 nan 0.000 0.617 91 P HA 0.118 nan 4.420 nan 0.000 0.271 91 P C -0.635 176.701 177.300 0.060 0.000 1.218 91 P CA -0.333 62.822 63.100 0.092 0.000 0.780 91 P CB 0.848 32.593 31.700 0.074 0.000 0.901 92 N N 1.928 120.662 118.700 0.056 0.000 3.243 92 N HA 0.143 4.883 4.740 -0.000 0.000 0.310 92 N C -0.488 175.035 175.510 0.022 0.000 1.313 92 N CA 0.034 53.105 53.050 0.035 0.000 1.204 92 N CB -0.565 37.943 38.487 0.035 0.000 1.483 92 N HN 0.198 nan 8.380 nan 0.000 0.553 93 V N -1.945 117.979 119.914 0.015 0.000 3.040 93 V HA 0.673 4.793 4.120 -0.000 0.000 0.312 93 V C -0.055 176.039 176.094 -0.001 0.000 1.115 93 V CA -0.752 61.546 62.300 -0.003 0.000 0.998 93 V CB 1.879 33.685 31.823 -0.028 0.000 1.042 93 V HN 0.011 nan 8.190 nan 0.000 0.433 94 T N 2.631 117.179 114.554 -0.010 0.000 2.847 94 T HA 0.694 5.044 4.350 -0.000 0.000 0.291 94 T C -0.436 174.256 174.700 -0.015 0.000 0.998 94 T CA -0.395 61.707 62.100 0.003 0.000 0.967 94 T CB 1.234 70.108 68.868 0.011 0.000 0.954 94 T HN 1.312 nan 8.240 nan 0.000 0.441 95 V N 1.589 121.499 119.914 -0.007 0.000 2.769 95 V HA 0.709 4.829 4.120 -0.000 0.000 0.312 95 V C -0.125 175.974 176.094 0.007 0.000 1.061 95 V CA -1.539 60.733 62.300 -0.046 0.000 0.931 95 V CB 1.845 33.570 31.823 -0.164 0.000 1.010 95 V HN 0.820 nan 8.190 nan 0.000 0.433 96 R N 2.370 122.864 120.500 -0.009 0.000 2.216 96 R HA 0.755 5.095 4.340 -0.000 0.000 0.332 96 R C -0.243 176.076 176.300 0.033 0.000 1.056 96 R CA 0.355 56.472 56.100 0.030 0.000 0.901 96 R CB 0.697 31.006 30.300 0.016 0.000 1.039 96 R HN 1.201 nan 8.270 nan 0.000 0.456 97 A N 3.993 126.879 122.820 0.111 0.000 2.479 97 A HA 0.451 4.771 4.320 -0.000 0.000 0.296 97 A C -1.103 176.603 177.584 0.204 0.000 1.121 97 A CA -1.098 51.031 52.037 0.153 0.000 0.743 97 A CB 1.301 20.464 19.000 0.272 0.000 1.323 97 A HN 0.774 nan 8.150 nan 0.000 0.415 98 N N 0.459 119.283 118.700 0.206 0.000 2.497 98 N HA 0.406 5.146 4.740 -0.000 0.000 0.268 98 N C -0.979 174.703 175.510 0.287 0.000 1.171 98 N CA 0.551 53.725 53.050 0.206 0.000 0.948 98 N CB 0.663 39.249 38.487 0.166 0.000 1.069 98 N HN 0.501 nan 8.380 nan 0.000 0.460 99 I N 0.887 121.582 120.570 0.208 0.000 2.466 99 I HA 0.334 4.504 4.170 -0.000 0.000 0.289 99 I C -0.115 176.052 176.117 0.082 0.000 1.026 99 I CA -1.070 60.280 61.300 0.084 0.000 1.078 99 I CB 1.911 39.914 38.000 0.005 0.000 1.249 99 I HN 0.365 nan 8.210 nan 0.000 0.429 100 A N 5.118 127.938 122.820 0.001 0.000 2.310 100 A HA 0.720 5.040 4.320 -0.000 0.000 0.300 100 A C 0.349 177.934 177.584 0.001 0.000 1.269 100 A CA -0.416 51.664 52.037 0.073 0.000 0.909 100 A CB 0.256 19.360 19.000 0.172 0.000 1.144 100 A HN 0.808 nan 8.150 nan 0.000 0.540 101 A N 4.116 127.005 122.820 0.115 0.000 2.376 101 A HA 0.508 4.828 4.320 -0.000 0.000 0.298 101 A C 0.146 177.785 177.584 0.091 0.000 1.271 101 A CA -0.289 51.819 52.037 0.118 0.000 0.926 101 A CB -0.576 18.497 19.000 0.122 0.000 1.141 101 A HN 0.766 nan 8.150 nan 0.000 0.539 102 I N 3.469 124.068 120.570 0.048 0.000 2.505 102 I HA 0.068 4.238 4.170 -0.000 0.000 0.287 102 I C 1.477 177.658 176.117 0.107 0.000 1.104 102 I CA 0.270 61.628 61.300 0.096 0.000 1.387 102 I CB 0.863 38.891 38.000 0.047 0.000 1.404 102 I HN 0.813 nan 8.210 nan 0.000 0.528 103 T N 0.950 115.571 114.554 0.112 0.000 3.000 103 T HA 0.183 4.533 4.350 -0.000 0.000 0.248 103 T C 0.445 175.189 174.700 0.074 0.000 1.034 103 T CA -0.140 61.995 62.100 0.059 0.000 1.060 103 T CB 0.334 69.224 68.868 0.035 0.000 0.983 103 T HN 0.598 nan 8.240 nan 0.000 0.482 104 E N 1.178 121.444 120.200 0.109 0.000 2.308 104 E HA 0.533 4.883 4.350 -0.000 0.000 0.275 104 E C -1.592 175.087 176.600 0.131 0.000 0.890 104 E CA -0.697 55.769 56.400 0.109 0.000 0.754 104 E CB 1.893 31.631 29.700 0.063 0.000 1.207 104 E HN 0.336 nan 8.360 nan 0.000 0.426 105 S N 3.097 118.895 115.700 0.163 0.000 2.548 105 S HA 0.408 4.878 4.470 -0.000 0.000 0.276 105 S C -1.369 173.330 174.600 0.165 0.000 1.129 105 S CA -1.026 57.252 58.200 0.129 0.000 0.931 105 S CB 1.752 64.990 63.200 0.063 0.000 1.068 105 S HN 0.486 nan 8.310 nan 0.000 0.480 106 D N 1.849 122.332 120.400 0.138 0.000 2.481 106 D HA 0.256 4.896 4.640 -0.000 0.000 0.246 106 D C -0.572 175.845 176.300 0.195 0.000 1.109 106 D CA -0.324 53.768 54.000 0.153 0.000 0.845 106 D CB 0.779 41.641 40.800 0.103 0.000 1.160 106 D HN 0.749 nan 8.370 nan 0.000 0.534 107 K N 2.900 123.433 120.400 0.222 0.000 3.156 107 K HA -0.240 4.080 4.320 -0.000 0.000 0.266 107 K C -0.046 176.717 176.600 0.272 0.000 0.966 107 K CA 0.342 56.771 56.287 0.236 0.000 0.719 107 K CB -1.076 31.539 32.500 0.191 0.000 1.333 107 K HN 0.478 nan 8.250 nan 0.000 0.468 108 F N -0.153 119.809 119.950 0.020 0.000 2.536 108 F HA 0.252 4.779 4.527 -0.000 0.000 0.278 108 F C 0.505 176.207 175.800 -0.164 0.000 0.945 108 F CA -0.087 57.841 58.000 -0.120 0.000 1.244 108 F CB 0.411 39.201 39.000 -0.351 0.000 1.118 108 F HN -0.016 nan 8.300 nan 0.000 0.725 109 F N 2.713 122.636 119.950 -0.045 0.000 2.495 109 F HA 0.256 4.783 4.527 -0.000 0.000 0.365 109 F C 0.103 175.787 175.800 -0.194 0.000 1.090 109 F CA -0.234 57.566 58.000 -0.333 0.000 1.235 109 F CB 0.219 38.988 39.000 -0.386 0.000 1.119 109 F HN -0.233 nan 8.300 nan 0.000 0.562 110 I N 3.489 123.897 120.570 -0.271 0.000 2.325 110 I HA 0.052 4.222 4.170 -0.000 0.000 0.291 110 I C 0.226 176.041 176.117 -0.504 0.000 1.019 110 I CA -0.603 60.524 61.300 -0.288 0.000 1.302 110 I CB 0.559 38.455 38.000 -0.174 0.000 1.401 110 I HN 0.533 nan 8.210 nan 0.000 0.485 111 N N 5.222 123.391 118.700 -0.885 0.000 2.365 111 N HA 0.039 4.779 4.740 -0.000 0.000 0.265 111 N C 0.979 176.178 175.510 -0.518 0.000 1.288 111 N CA 1.636 53.981 53.050 -1.175 0.000 0.869 111 N CB 0.563 38.193 38.487 -1.427 0.000 1.071 111 N HN 0.868 nan 8.380 nan 0.000 0.480 112 G N 1.649 110.233 108.800 -0.361 0.000 2.241 112 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.244 112 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.244 112 G C 0.199 175.009 174.900 -0.150 0.000 0.998 112 G CA 0.510 45.502 45.100 -0.180 0.000 0.621 112 G HN 1.150 nan 8.290 nan 0.000 0.519 113 S N -0.047 115.498 115.700 -0.257 0.000 2.579 113 S HA 0.452 4.922 4.470 -0.000 0.000 0.275 113 S C 0.694 175.105 174.600 -0.315 0.000 1.345 113 S CA 0.631 58.669 58.200 -0.269 0.000 1.031 113 S CB 1.509 64.438 63.200 -0.453 0.000 0.892 113 S HN 0.326 nan 8.310 nan 0.000 0.529 114 N N 1.188 119.732 118.700 -0.259 0.000 2.235 114 N HA 0.207 4.947 4.740 -0.000 0.000 0.209 114 N C -0.493 174.699 175.510 -0.531 0.000 1.122 114 N CA -0.554 52.310 53.050 -0.309 0.000 0.845 114 N CB 0.210 38.570 38.487 -0.212 0.000 1.004 114 N HN 0.788 nan 8.380 nan 0.000 0.499 115 W N -0.379 120.633 121.300 -0.480 0.000 2.570 115 W HA 0.520 5.180 4.660 0.000 0.000 0.337 115 W C -0.469 175.942 176.519 -0.180 0.000 1.067 115 W CA -0.617 56.500 57.345 -0.381 0.000 1.229 115 W CB 0.698 29.994 29.460 -0.273 0.000 1.355 115 W HN -0.113 nan 8.180 nan 0.000 0.555 116 E N 1.593 121.914 120.200 0.202 0.000 2.562 116 E HA 0.328 4.678 4.350 -0.000 0.000 0.214 116 E C 0.561 177.345 176.600 0.306 0.000 0.979 116 E CA 0.090 56.531 56.400 0.068 0.000 1.002 116 E CB 1.378 31.058 29.700 -0.034 0.000 1.048 116 E HN 0.635 nan 8.360 nan 0.000 0.488 117 G N 0.047 109.137 108.800 0.483 0.000 2.649 117 G HA2 0.573 4.533 3.960 -0.000 0.000 0.290 117 G HA3 0.573 4.533 3.960 -0.000 0.000 0.290 117 G C -1.754 173.200 174.900 0.090 0.000 1.426 117 G CA -0.700 44.558 45.100 0.263 0.000 0.794 117 G HN 0.062 nan 8.290 nan 0.000 0.483 118 I N 0.251 120.797 120.570 -0.040 0.000 2.498 118 I HA 0.606 4.776 4.170 -0.000 0.000 0.290 118 I C -1.459 174.684 176.117 0.043 0.000 1.032 118 I CA -1.181 60.049 61.300 -0.116 0.000 1.073 118 I CB 1.872 39.781 38.000 -0.152 0.000 1.251 118 I HN 0.417 nan 8.210 nan 0.000 0.426 119 L N 8.403 129.637 121.223 0.018 0.000 2.283 119 L HA 0.602 4.942 4.340 -0.000 0.000 0.281 119 L C 0.058 176.905 176.870 -0.038 0.000 1.033 119 L CA -0.131 54.729 54.840 0.033 0.000 0.848 119 L CB 0.879 42.836 42.059 -0.170 0.000 1.226 119 L HN 0.620 nan 8.230 nan 0.000 0.429 120 G N 5.326 114.148 108.800 0.037 0.000 2.372 120 G HA2 0.346 4.306 3.960 -0.000 0.000 0.286 120 G HA3 0.346 4.306 3.960 -0.000 0.000 0.286 120 G C 0.407 175.287 174.900 -0.034 0.000 1.153 120 G CA -0.352 44.757 45.100 0.015 0.000 0.985 120 G HN 0.731 nan 8.290 nan 0.000 0.429 121 L N 2.040 123.199 121.223 -0.106 0.000 2.700 121 L HA 0.281 4.621 4.340 -0.000 0.000 0.234 121 L C 1.718 178.521 176.870 -0.113 0.000 1.156 121 L CA -0.228 54.488 54.840 -0.208 0.000 0.946 121 L CB -0.021 41.748 42.059 -0.484 0.000 1.216 121 L HN 0.594 nan 8.230 nan 0.000 0.493 122 A N -1.022 121.721 122.820 -0.128 0.000 2.301 122 A HA 0.466 4.786 4.320 -0.000 0.000 0.287 122 A C -0.697 176.649 177.584 -0.397 0.000 1.274 122 A CA -0.235 51.578 52.037 -0.373 0.000 0.865 122 A CB 0.128 18.958 19.000 -0.283 0.000 1.324 122 A HN 0.094 nan 8.150 nan 0.000 0.508 123 Y N -1.478 118.679 120.300 -0.239 0.000 2.298 123 Y HA 0.387 4.937 4.550 -0.000 0.000 0.329 123 Y C 1.719 177.594 175.900 -0.042 0.000 1.293 123 Y CA 0.345 58.386 58.100 -0.098 0.000 1.388 123 Y CB 0.874 39.287 38.460 -0.078 0.000 1.309 123 Y HN 0.685 nan 8.280 nan 0.000 0.544 124 A N 0.602 123.537 122.820 0.192 0.000 1.940 124 A HA -0.245 4.075 4.320 -0.000 0.000 0.219 124 A C 2.022 179.660 177.584 0.091 0.000 1.176 124 A CA 2.020 54.126 52.037 0.115 0.000 0.631 124 A CB -0.772 18.293 19.000 0.108 0.000 0.814 124 A HN 0.965 nan 8.150 nan 0.000 0.446 125 E N 0.033 120.299 120.200 0.111 0.000 2.114 125 E HA -0.225 4.125 4.350 -0.000 0.000 0.199 125 E C 1.595 178.244 176.600 0.082 0.000 1.008 125 E CA 1.756 58.215 56.400 0.098 0.000 0.810 125 E CB -0.300 29.482 29.700 0.136 0.000 0.739 125 E HN 0.844 nan 8.360 nan 0.000 0.456 126 I N -2.010 118.580 120.570 0.035 0.000 3.812 126 I HA 0.309 4.479 4.170 -0.000 0.000 0.320 126 I C 0.536 176.642 176.117 -0.019 0.000 1.276 126 I CA -0.426 60.849 61.300 -0.043 0.000 1.164 126 I CB 0.257 38.062 38.000 -0.325 0.000 1.009 126 I HN -0.103 nan 8.210 nan 0.000 0.431 127 A N 1.736 124.569 122.820 0.022 0.000 2.388 127 A HA 0.583 4.903 4.320 -0.000 0.000 0.257 127 A C 0.141 177.755 177.584 0.049 0.000 1.095 127 A CA -0.317 51.749 52.037 0.049 0.000 0.791 127 A CB 0.343 19.384 19.000 0.068 0.000 1.029 127 A HN 0.501 nan 8.150 nan 0.000 0.489 128 R N 2.024 122.558 120.500 0.057 0.000 2.604 128 R HA 0.414 4.754 4.340 -0.000 0.000 0.287 128 R C -1.982 174.346 176.300 0.046 0.000 0.970 128 R CA -1.743 54.374 56.100 0.029 0.000 0.946 128 R CB 1.172 31.461 30.300 -0.018 0.000 1.127 128 R HN 0.442 nan 8.270 nan 0.000 0.473 129 P HA -0.096 nan 4.420 nan 0.000 0.221 129 P C -0.893 176.415 177.300 0.013 0.000 1.150 129 P CA 1.126 64.228 63.100 0.003 0.000 0.800 129 P CB 0.220 31.922 31.700 0.004 0.000 0.787 130 D N -3.063 117.353 120.400 0.027 0.000 2.759 130 D HA 0.067 4.707 4.640 -0.000 0.000 0.321 130 D C -0.017 176.307 176.300 0.039 0.000 1.267 130 D CA -0.736 53.282 54.000 0.029 0.000 0.933 130 D CB -0.224 40.590 40.800 0.023 0.000 1.431 130 D HN -0.198 nan 8.370 nan 0.000 0.504 131 D N -0.577 119.846 120.400 0.037 0.000 2.363 131 D HA -0.115 4.525 4.640 -0.000 0.000 0.226 131 D C 1.079 177.406 176.300 0.045 0.000 1.020 131 D CA 0.647 54.674 54.000 0.045 0.000 0.892 131 D CB -0.184 40.640 40.800 0.041 0.000 0.900 131 D HN 0.305 nan 8.370 nan 0.000 0.531 132 S N -0.154 115.569 115.700 0.039 0.000 2.558 132 S HA 0.015 4.485 4.470 -0.000 0.000 0.217 132 S C 0.946 175.573 174.600 0.045 0.000 0.975 132 S CA -0.547 57.675 58.200 0.037 0.000 0.912 132 S CB -0.340 62.877 63.200 0.028 0.000 0.776 132 S HN 0.140 nan 8.310 nan 0.000 0.526 133 L N 3.337 124.593 121.223 0.055 0.000 2.375 133 L HA 0.365 4.705 4.340 -0.000 0.000 0.276 133 L C 0.240 177.158 176.870 0.079 0.000 1.162 133 L CA -0.193 54.689 54.840 0.070 0.000 0.991 133 L CB -0.197 41.911 42.059 0.082 0.000 1.315 133 L HN 0.258 nan 8.230 nan 0.000 0.431 134 E N 5.455 125.695 120.200 0.068 0.000 2.694 134 E HA -0.015 4.335 4.350 -0.000 0.000 0.250 134 E C -2.038 174.613 176.600 0.085 0.000 0.963 134 E CA -1.229 55.209 56.400 0.065 0.000 0.949 134 E CB 0.493 30.216 29.700 0.039 0.000 0.911 134 E HN 0.407 nan 8.360 nan 0.000 0.500 135 P HA -0.076 nan 4.420 nan 0.000 0.269 135 P C 0.064 177.430 177.300 0.111 0.000 1.215 135 P CA -0.047 63.124 63.100 0.119 0.000 0.780 135 P CB 0.369 32.125 31.700 0.093 0.000 0.898 136 F N 2.129 122.077 119.950 -0.003 0.000 2.091 136 F HA -0.244 4.283 4.527 0.000 0.000 0.299 136 F C 1.932 177.683 175.800 -0.080 0.000 1.103 136 F CA 1.561 59.505 58.000 -0.094 0.000 1.228 136 F CB -0.676 38.154 39.000 -0.282 0.000 0.984 136 F HN 0.207 nan 8.300 nan 0.000 0.477 137 F N 1.347 121.179 119.950 -0.196 0.000 2.234 137 F HA -0.128 4.399 4.527 -0.000 0.000 0.299 137 F C 1.940 177.597 175.800 -0.238 0.000 1.087 137 F CA 1.996 59.825 58.000 -0.285 0.000 1.340 137 F CB -0.621 38.277 39.000 -0.171 0.000 1.031 137 F HN 0.004 nan 8.300 nan 0.000 0.500 138 D N -0.870 119.527 120.400 -0.005 0.000 2.117 138 D HA -0.167 4.473 4.640 -0.000 0.000 0.197 138 D C 2.377 178.582 176.300 -0.158 0.000 0.987 138 D CA 1.703 55.688 54.000 -0.026 0.000 0.829 138 D CB -0.336 40.492 40.800 0.046 0.000 0.961 138 D HN 0.141 nan 8.370 nan 0.000 0.460 139 S N 0.137 115.703 115.700 -0.224 0.000 2.383 139 S HA -0.090 4.380 4.470 -0.000 0.000 0.227 139 S C 1.766 176.124 174.600 -0.402 0.000 1.026 139 S CA 0.266 58.308 58.200 -0.263 0.000 0.981 139 S CB -0.235 62.829 63.200 -0.227 0.000 0.818 139 S HN 0.168 nan 8.310 nan 0.000 0.472 140 L N 1.905 122.727 121.223 -0.668 0.000 2.046 140 L HA -0.026 4.313 4.340 -0.000 0.000 0.208 140 L C 2.119 178.676 176.870 -0.522 0.000 1.077 140 L CA 1.518 55.921 54.840 -0.728 0.000 0.747 140 L CB -0.585 40.825 42.059 -1.083 0.000 0.896 140 L HN 0.116 nan 8.230 nan 0.000 0.432 141 V N -0.472 119.141 119.914 -0.501 0.000 2.283 141 V HA -0.260 3.860 4.120 -0.000 0.000 0.243 141 V C 2.538 178.512 176.094 -0.199 0.000 1.039 141 V CA 1.970 64.082 62.300 -0.313 0.000 1.016 141 V CB -0.611 31.087 31.823 -0.209 0.000 0.650 141 V HN 0.401 nan 8.190 nan 0.000 0.449 142 K N -0.429 119.869 120.400 -0.171 0.000 2.211 142 K HA -0.199 4.121 4.320 -0.000 0.000 0.204 142 K C 2.108 178.622 176.600 -0.142 0.000 1.047 142 K CA 1.426 57.641 56.287 -0.121 0.000 0.935 142 K CB -0.086 32.360 32.500 -0.091 0.000 0.728 142 K HN 0.553 nan 8.250 nan 0.000 0.452 143 Q N -0.589 119.101 119.800 -0.183 0.000 2.352 143 Q HA 0.016 4.356 4.340 -0.000 0.000 0.212 143 Q C 0.534 176.404 176.000 -0.217 0.000 0.888 143 Q CA 0.523 56.219 55.803 -0.178 0.000 0.934 143 Q CB 1.119 29.759 28.738 -0.163 0.000 1.093 143 Q HN 0.301 nan 8.270 nan 0.000 0.523 144 T N -3.537 110.871 114.554 -0.243 0.000 2.724 144 T HA 0.258 4.608 4.350 -0.000 0.000 0.274 144 T C 0.385 174.904 174.700 -0.301 0.000 0.984 144 T CA -0.747 61.193 62.100 -0.267 0.000 1.024 144 T CB 0.952 69.716 68.868 -0.174 0.000 1.320 144 T HN -0.005 nan 8.240 nan 0.000 0.555 145 H N -0.808 118.236 119.070 -0.043 0.000 2.586 145 H HA 0.376 4.932 4.556 0.000 0.000 0.273 145 H C 0.329 175.650 175.328 -0.012 0.000 0.997 145 H CA -0.125 55.911 56.048 -0.021 0.000 1.177 145 H CB 0.012 29.772 29.762 -0.002 0.000 1.471 145 H HN 0.256 nan 8.280 nan 0.000 0.538 146 V N 4.253 124.192 119.914 0.042 0.000 2.557 146 V HA -0.021 4.099 4.120 -0.000 0.000 0.301 146 V C -1.724 174.392 176.094 0.036 0.000 1.026 146 V CA -0.850 61.466 62.300 0.026 0.000 1.137 146 V CB 0.489 32.270 31.823 -0.070 0.000 0.917 146 V HN 0.144 nan 8.190 nan 0.000 0.484 147 P HA 0.024 nan 4.420 nan 0.000 0.266 147 P C -0.070 177.328 177.300 0.164 0.000 1.195 147 P CA -0.152 63.021 63.100 0.121 0.000 0.768 147 P CB 0.264 32.048 31.700 0.141 0.000 0.838 148 N N 2.851 121.661 118.700 0.183 0.000 2.971 148 N HA 0.202 4.942 4.740 -0.000 0.000 0.294 148 N C -1.004 174.720 175.510 0.355 0.000 1.210 148 N CA 0.339 53.574 53.050 0.308 0.000 1.157 148 N CB -1.161 37.471 38.487 0.242 0.000 1.450 148 N HN 0.321 nan 8.380 nan 0.000 0.527 149 L N 2.057 123.542 121.223 0.436 0.000 2.591 149 L HA 0.596 4.936 4.340 -0.000 0.000 0.257 149 L C -1.905 175.172 176.870 0.346 0.000 0.935 149 L CA -0.912 54.078 54.840 0.250 0.000 0.873 149 L CB 1.077 43.211 42.059 0.125 0.000 1.397 149 L HN 0.183 nan 8.230 nan 0.000 0.414 150 F N 1.362 121.293 119.950 -0.032 0.000 2.628 150 F HA 0.844 5.371 4.527 -0.000 0.000 0.309 150 F C -1.152 174.592 175.800 -0.094 0.000 1.108 150 F CA -0.543 57.408 58.000 -0.083 0.000 0.971 150 F CB 1.425 40.296 39.000 -0.214 0.000 1.279 150 F HN 0.409 nan 8.300 nan 0.000 0.441 151 S N 3.284 118.950 115.700 -0.057 0.000 2.568 151 S HA 0.891 5.361 4.470 -0.000 0.000 0.302 151 S C -1.338 173.247 174.600 -0.024 0.000 1.082 151 S CA -0.850 57.202 58.200 -0.246 0.000 1.009 151 S CB 2.079 64.991 63.200 -0.479 0.000 1.069 151 S HN 0.858 nan 8.310 nan 0.000 0.500 152 L N 1.736 122.902 121.223 -0.095 0.000 2.406 152 L HA 0.521 4.861 4.340 -0.000 0.000 0.272 152 L C -0.523 176.394 176.870 0.078 0.000 0.980 152 L CA -0.304 54.566 54.840 0.050 0.000 0.831 152 L CB 2.032 44.155 42.059 0.108 0.000 1.253 152 L HN 0.748 nan 8.230 nan 0.000 0.406 153 Q N 5.089 124.990 119.800 0.169 0.000 2.357 153 Q HA 0.532 4.872 4.340 -0.000 0.000 0.266 153 Q C -1.714 174.280 176.000 -0.011 0.000 1.021 153 Q CA -0.622 55.274 55.803 0.155 0.000 0.784 153 Q CB 1.456 30.297 28.738 0.171 0.000 1.243 153 Q HN 0.608 nan 8.270 nan 0.000 0.465 154 L N 3.471 124.634 121.223 -0.099 0.000 2.296 154 L HA 0.558 4.898 4.340 -0.000 0.000 0.286 154 L C -0.711 176.142 176.870 -0.028 0.000 1.023 154 L CA -0.904 53.778 54.840 -0.263 0.000 0.812 154 L CB 1.472 43.129 42.059 -0.671 0.000 1.223 154 L HN 0.627 nan 8.230 nan 0.000 0.421 155 c N 2.520 121.186 118.600 0.111 0.000 2.322 155 c HA 0.710 5.280 4.570 -0.000 0.000 0.324 155 c C 1.151 175.354 174.090 0.188 0.000 1.284 155 c CA -0.756 55.647 56.329 0.124 0.000 1.606 155 c CB 0.523 43.081 42.510 0.079 0.000 2.251 155 c HN 0.985 nan 8.230 nan 0.000 0.502 156 G N 1.618 110.495 108.800 0.129 0.000 2.494 156 G HA2 0.737 4.697 3.960 -0.000 0.000 0.270 156 G HA3 0.737 4.697 3.960 -0.000 0.000 0.270 156 G C -0.349 174.583 174.900 0.054 0.000 1.423 156 G CA 0.315 45.481 45.100 0.109 0.000 1.055 156 G HN 1.200 nan 8.290 nan 0.000 0.536 171 G N 1.681 110.504 108.800 0.038 0.000 2.975 171 G HA2 1.032 4.992 3.960 -0.000 0.000 0.291 171 G HA3 1.032 4.992 3.960 -0.000 0.000 0.291 171 G C -0.229 174.787 174.900 0.193 0.000 1.334 171 G CA 0.001 45.140 45.100 0.064 0.000 0.843 171 G HN 1.659 nan 8.290 nan 0.000 0.548 172 G N -1.775 107.087 108.800 0.103 0.000 2.323 172 G HA2 0.537 4.497 3.960 -0.000 0.000 0.291 172 G HA3 0.537 4.497 3.960 -0.000 0.000 0.291 172 G C -1.476 173.445 174.900 0.035 0.000 1.278 172 G CA 0.175 45.317 45.100 0.069 0.000 0.860 172 G HN 1.249 nan 8.290 nan 0.000 0.504 173 S N -0.191 115.529 115.700 0.035 0.000 2.557 173 S HA 0.650 5.120 4.470 -0.000 0.000 0.291 173 S C -0.514 174.131 174.600 0.075 0.000 1.116 173 S CA -0.459 57.773 58.200 0.054 0.000 0.992 173 S CB 1.616 64.854 63.200 0.064 0.000 1.028 173 S HN 0.765 nan 8.310 nan 0.000 0.484 174 M N 5.018 124.661 119.600 0.070 0.000 2.023 174 M HA 0.462 4.942 4.480 -0.000 0.000 0.325 174 M C -1.588 174.763 176.300 0.085 0.000 0.963 174 M CA -0.698 54.653 55.300 0.083 0.000 0.928 174 M CB 0.145 32.776 32.600 0.052 0.000 1.429 174 M HN 0.448 nan 8.290 nan 0.000 0.404 175 I N 6.245 126.865 120.570 0.083 0.000 2.322 175 I HA 0.218 4.388 4.170 -0.000 0.000 0.292 175 I C -0.245 175.876 176.117 0.006 0.000 1.060 175 I CA -0.374 60.913 61.300 -0.023 0.000 1.309 175 I CB 0.009 37.936 38.000 -0.122 0.000 1.415 175 I HN 0.651 nan 8.210 nan 0.000 0.492 176 I N 5.055 125.643 120.570 0.030 0.000 2.325 176 I HA 0.409 4.579 4.170 -0.000 0.000 0.291 176 I C 1.167 177.315 176.117 0.052 0.000 1.019 176 I CA 0.371 61.765 61.300 0.157 0.000 1.302 176 I CB 1.067 39.183 38.000 0.193 0.000 1.401 176 I HN 0.849 nan 8.210 nan 0.000 0.485 177 G N 3.610 112.503 108.800 0.155 0.000 2.137 177 G HA2 0.055 4.015 3.960 -0.000 0.000 0.237 177 G HA3 0.055 4.015 3.960 -0.000 0.000 0.237 177 G C 0.216 175.104 174.900 -0.019 0.000 1.002 177 G CA -0.149 45.017 45.100 0.110 0.000 0.702 177 G HN 1.275 nan 8.290 nan 0.000 0.515 178 G N -1.373 107.298 108.800 -0.215 0.000 2.451 178 G HA2 0.611 4.571 3.960 -0.000 0.000 0.292 178 G HA3 0.611 4.571 3.960 -0.000 0.000 0.292 178 G C -1.193 173.587 174.900 -0.200 0.000 1.427 178 G CA -0.540 44.392 45.100 -0.280 0.000 0.792 178 G HN 0.783 nan 8.290 nan 0.000 0.498 179 I N 0.844 121.489 120.570 0.125 0.000 2.433 179 I HA 0.355 4.525 4.170 -0.000 0.000 0.292 179 I C -1.132 175.278 176.117 0.489 0.000 1.001 179 I CA -0.758 60.702 61.300 0.266 0.000 1.119 179 I CB 2.196 40.345 38.000 0.248 0.000 1.289 179 I HN 0.323 nan 8.210 nan 0.000 0.438 180 D N 4.576 125.276 120.400 0.501 0.000 2.280 180 D HA 0.184 4.824 4.640 -0.000 0.000 0.236 180 D C 0.859 177.332 176.300 0.289 0.000 1.082 180 D CA -0.118 54.130 54.000 0.413 0.000 0.834 180 D CB 1.018 41.984 40.800 0.276 0.000 1.100 180 D HN 0.510 nan 8.370 nan 0.000 0.486 181 H N 1.605 120.754 119.070 0.133 0.000 2.495 181 H HA -0.086 4.470 4.556 -0.000 0.000 0.287 181 H C 1.700 176.852 175.328 -0.295 0.000 1.033 181 H CA 1.205 57.171 56.048 -0.138 0.000 1.307 181 H CB 0.609 30.300 29.762 -0.118 0.000 1.401 181 H HN 0.408 nan 8.280 nan 0.000 0.555 182 S N 0.336 116.009 115.700 -0.045 0.000 2.522 182 S HA 0.005 4.475 4.470 -0.000 0.000 0.227 182 S C 1.753 176.261 174.600 -0.154 0.000 0.986 182 S CA 0.225 58.370 58.200 -0.091 0.000 0.929 182 S CB -0.318 62.865 63.200 -0.030 0.000 0.769 182 S HN 0.291 nan 8.310 nan 0.000 0.529 183 L N 0.377 121.451 121.223 -0.249 0.000 2.607 183 L HA 0.383 4.723 4.340 -0.000 0.000 0.228 183 L C 0.239 176.914 176.870 -0.325 0.000 1.123 183 L CA -0.395 54.226 54.840 -0.366 0.000 0.890 183 L CB -0.200 41.463 42.059 -0.660 0.000 1.103 183 L HN 0.569 nan 8.230 nan 0.000 0.468 184 Y N -2.167 117.927 120.300 -0.342 0.000 2.644 184 Y HA 0.716 5.265 4.550 -0.000 0.000 0.338 184 Y C -0.470 175.381 175.900 -0.082 0.000 1.119 184 Y CA -1.429 56.565 58.100 -0.175 0.000 1.060 184 Y CB 1.022 39.422 38.460 -0.099 0.000 1.294 184 Y HN -0.092 nan 8.280 nan 0.000 0.472 185 T N -0.777 113.825 114.554 0.080 0.000 2.907 185 T HA 0.770 5.120 4.350 -0.000 0.000 0.292 185 T C 0.376 175.172 174.700 0.159 0.000 1.043 185 T CA -0.267 61.842 62.100 0.014 0.000 1.003 185 T CB 1.106 69.986 68.868 0.020 0.000 1.084 185 T HN 2.242 nan 8.240 nan 0.000 0.483 186 G N 1.688 110.550 108.800 0.104 0.000 2.539 186 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.256 186 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.256 186 G C -0.131 174.897 174.900 0.213 0.000 1.233 186 G CA -0.174 45.012 45.100 0.143 0.000 0.936 186 G HN 1.186 nan 8.290 nan 0.000 0.571 187 S N -0.576 115.228 115.700 0.174 0.000 2.617 187 S HA 0.666 5.136 4.470 -0.000 0.000 0.283 187 S C 0.277 174.853 174.600 -0.041 0.000 1.189 187 S CA -0.491 57.751 58.200 0.070 0.000 1.036 187 S CB 1.370 64.569 63.200 -0.003 0.000 1.014 187 S HN 0.630 nan 8.310 nan 0.000 0.522 188 L N 2.402 123.466 121.223 -0.266 0.000 2.265 188 L HA 0.381 4.721 4.340 -0.000 0.000 0.288 188 L C -1.179 175.298 176.870 -0.656 0.000 1.058 188 L CA -0.234 54.303 54.840 -0.505 0.000 0.809 188 L CB 0.550 42.228 42.059 -0.634 0.000 1.179 188 L HN 0.642 nan 8.230 nan 0.000 0.429 189 W N 3.156 124.010 121.300 -0.745 0.000 2.429 189 W HA 0.405 5.065 4.660 0.000 0.000 0.314 189 W C -0.689 175.214 176.519 -1.026 0.000 1.062 189 W CA -0.242 56.519 57.345 -0.974 0.000 1.211 189 W CB 0.999 29.526 29.460 -1.555 0.000 1.305 189 W HN 0.248 nan 8.180 nan 0.000 0.476 190 Y N 2.107 122.281 120.300 -0.209 0.000 2.328 190 Y HA 0.400 4.950 4.550 0.000 0.000 0.337 190 Y C 0.725 176.877 175.900 0.421 0.000 1.008 190 Y CA -0.499 57.637 58.100 0.060 0.000 1.129 190 Y CB 1.696 40.146 38.460 -0.016 0.000 1.185 190 Y HN 0.146 nan 8.280 nan 0.000 0.476 191 T N 5.720 120.637 114.554 0.605 0.000 2.859 191 T HA 0.488 4.838 4.350 -0.000 0.000 0.281 191 T C -2.816 172.066 174.700 0.302 0.000 1.005 191 T CA -2.658 59.714 62.100 0.453 0.000 1.025 191 T CB 0.877 69.933 68.868 0.314 0.000 0.977 191 T HN 0.255 nan 8.240 nan 0.000 0.458 192 P HA 0.348 nan 4.420 nan 0.000 0.279 192 P C -0.520 176.893 177.300 0.189 0.000 1.239 192 P CA -0.367 62.844 63.100 0.184 0.000 0.789 192 P CB 0.292 32.078 31.700 0.143 0.000 0.933 193 I N 3.437 124.129 120.570 0.203 0.000 2.436 193 I HA 0.140 4.310 4.170 -0.000 0.000 0.289 193 I C 2.039 178.267 176.117 0.185 0.000 1.083 193 I CA -0.049 61.394 61.300 0.238 0.000 1.372 193 I CB 0.472 38.657 38.000 0.308 0.000 1.408 193 I HN 0.440 nan 8.210 nan 0.000 0.516 194 R N 5.691 126.310 120.500 0.198 0.000 2.066 194 R HA 0.053 4.393 4.340 -0.000 0.000 0.232 194 R C 0.787 177.171 176.300 0.141 0.000 1.131 194 R CA 1.266 57.464 56.100 0.164 0.000 0.955 194 R CB 0.312 30.725 30.300 0.188 0.000 0.851 194 R HN 0.588 nan 8.270 nan 0.000 0.432 195 R N -0.045 120.586 120.500 0.218 0.000 2.698 195 R HA 0.146 4.486 4.340 -0.000 0.000 0.275 195 R C -1.426 175.017 176.300 0.238 0.000 1.001 195 R CA -0.482 55.708 56.100 0.150 0.000 0.896 195 R CB 1.869 32.188 30.300 0.032 0.000 1.218 195 R HN 0.073 nan 8.270 nan 0.000 0.462 196 E N 4.233 124.405 120.200 -0.047 0.000 1.964 196 E HA 0.074 4.424 4.350 -0.000 0.000 0.264 196 E C -0.186 176.410 176.600 -0.006 0.000 1.120 196 E CA -0.054 56.074 56.400 -0.453 0.000 1.061 196 E CB 0.318 29.377 29.700 -1.068 0.000 1.190 196 E HN 0.466 nan 8.360 nan 0.000 0.459 197 W N 1.318 122.597 121.300 -0.034 0.000 4.714 197 W HA 0.181 4.841 4.660 -0.000 0.000 0.177 197 W C -0.210 176.278 176.519 -0.052 0.000 2.961 197 W CA -0.189 57.156 57.345 0.001 0.000 1.926 197 W CB -0.483 28.981 29.460 0.006 0.000 1.627 197 W HN 0.014 nan 8.180 nan 0.000 0.726 198 Y N 0.525 120.498 120.300 -0.544 0.000 2.340 198 Y HA 0.302 4.852 4.550 -0.000 0.000 0.327 198 Y C -0.092 175.685 175.900 -0.206 0.000 1.321 198 Y CA -0.473 57.349 58.100 -0.464 0.000 1.433 198 Y CB 0.169 38.205 38.460 -0.707 0.000 1.373 198 Y HN -0.189 nan 8.280 nan 0.000 0.538 199 Y N 0.853 121.298 120.300 0.242 0.000 2.636 199 Y HA 0.098 4.648 4.550 -0.000 0.000 0.334 199 Y C 0.334 176.363 175.900 0.216 0.000 1.286 199 Y CA -0.281 57.994 58.100 0.291 0.000 1.688 199 Y CB -0.274 38.380 38.460 0.323 0.000 1.662 199 Y HN 0.397 nan 8.280 nan 0.000 0.465 200 E N 2.884 123.268 120.200 0.307 0.000 2.194 200 E HA 0.368 4.718 4.350 -0.000 0.000 0.284 200 E C -0.525 176.221 176.600 0.243 0.000 1.035 200 E CA -0.477 56.067 56.400 0.240 0.000 0.836 200 E CB 0.789 30.687 29.700 0.329 0.000 1.070 200 E HN 0.451 nan 8.360 nan 0.000 0.401 201 V N 1.776 121.800 119.914 0.183 0.000 3.284 201 V HA 0.650 4.770 4.120 -0.000 0.000 0.309 201 V C -0.214 175.942 176.094 0.102 0.000 1.190 201 V CA -0.917 61.470 62.300 0.146 0.000 1.038 201 V CB 1.455 33.353 31.823 0.124 0.000 1.198 201 V HN 0.593 nan 8.190 nan 0.000 0.465 202 I N 1.064 121.669 120.570 0.058 0.000 2.439 202 I HA 0.467 4.637 4.170 -0.000 0.000 0.285 202 I C -0.734 175.370 176.117 -0.022 0.000 1.021 202 I CA -0.266 61.060 61.300 0.043 0.000 1.091 202 I CB 1.717 39.754 38.000 0.063 0.000 1.242 202 I HN 0.505 nan 8.210 nan 0.000 0.439 203 I N 6.813 127.378 120.570 -0.008 0.000 2.371 203 I HA 0.107 4.277 4.170 -0.000 0.000 0.290 203 I C 1.218 177.345 176.117 0.017 0.000 1.028 203 I CA -0.165 61.099 61.300 -0.060 0.000 1.345 203 I CB 1.396 39.346 38.000 -0.082 0.000 1.407 203 I HN 0.495 nan 8.210 nan 0.000 0.501 204 V N 2.806 122.698 119.914 -0.037 0.000 3.263 204 V HA 0.388 4.508 4.120 -0.000 0.000 0.248 204 V C 0.838 176.932 176.094 -0.000 0.000 1.145 204 V CA 0.258 62.566 62.300 0.013 0.000 1.107 204 V CB -0.158 31.652 31.823 -0.022 0.000 0.797 204 V HN 0.743 nan 8.190 nan 0.000 0.467 205 R N -0.788 119.617 120.500 -0.159 0.000 2.680 205 R HA 0.781 5.121 4.340 -0.000 0.000 0.269 205 R C -2.023 174.007 176.300 -0.450 0.000 1.026 205 R CA -0.473 55.441 56.100 -0.310 0.000 0.889 205 R CB 2.989 32.905 30.300 -0.639 0.000 1.241 205 R HN 0.119 nan 8.270 nan 0.000 0.463 206 V N 1.600 121.209 119.914 -0.509 0.000 2.709 206 V HA 0.424 4.544 4.120 -0.000 0.000 0.308 206 V C -0.748 175.235 176.094 -0.185 0.000 1.062 206 V CA -0.764 61.298 62.300 -0.397 0.000 0.901 206 V CB 2.111 33.559 31.823 -0.624 0.000 1.003 206 V HN 0.718 nan 8.190 nan 0.000 0.425 207 E N 4.185 124.334 120.200 -0.084 0.000 2.248 207 E HA 0.590 4.940 4.350 -0.000 0.000 0.267 207 E C -1.467 175.122 176.600 -0.019 0.000 0.877 207 E CA -0.798 55.581 56.400 -0.036 0.000 0.759 207 E CB 2.618 32.333 29.700 0.025 0.000 1.182 207 E HN 0.384 nan 8.360 nan 0.000 0.418 208 I N 3.182 123.745 120.570 -0.011 0.000 2.382 208 I HA 0.177 4.346 4.170 -0.000 0.000 0.285 208 I C 0.020 176.156 176.117 0.032 0.000 1.007 208 I CA -0.670 60.636 61.300 0.010 0.000 1.142 208 I CB 0.841 38.837 38.000 -0.007 0.000 1.289 208 I HN 0.601 nan 8.210 nan 0.000 0.453 209 N N 5.013 123.750 118.700 0.061 0.000 2.710 209 N HA -0.219 4.521 4.740 -0.000 0.000 0.249 209 N C 1.162 176.697 175.510 0.042 0.000 1.059 209 N CA 1.420 54.509 53.050 0.065 0.000 0.720 209 N CB -0.713 37.817 38.487 0.071 0.000 0.983 209 N HN 1.115 nan 8.380 nan 0.000 0.544 210 G N -1.674 107.147 108.800 0.035 0.000 2.159 210 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.256 210 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.256 210 G C -0.163 174.737 174.900 0.001 0.000 0.977 210 G CA 0.432 45.547 45.100 0.024 0.000 0.652 210 G HN 0.534 nan 8.290 nan 0.000 0.531 211 Q N 0.695 120.492 119.800 -0.004 0.000 2.303 211 Q HA 0.295 4.635 4.340 -0.000 0.000 0.257 211 Q C -0.517 175.461 176.000 -0.036 0.000 0.941 211 Q CA -0.626 55.166 55.803 -0.019 0.000 0.931 211 Q CB 1.111 29.840 28.738 -0.014 0.000 1.215 211 Q HN 0.329 nan 8.270 nan 0.000 0.437 212 D N 2.616 122.984 120.400 -0.053 0.000 2.455 212 D HA -0.028 4.612 4.640 -0.000 0.000 0.241 212 D C 0.801 177.085 176.300 -0.026 0.000 1.138 212 D CA 0.284 54.245 54.000 -0.064 0.000 0.877 212 D CB 1.004 41.756 40.800 -0.079 0.000 1.187 212 D HN 0.562 nan 8.370 nan 0.000 0.451 213 L N 2.797 124.025 121.223 0.009 0.000 2.478 213 L HA -0.067 4.273 4.340 -0.000 0.000 0.223 213 L C 1.491 178.378 176.870 0.028 0.000 1.140 213 L CA 0.222 55.087 54.840 0.042 0.000 0.842 213 L CB -0.215 41.920 42.059 0.126 0.000 0.953 213 L HN 0.563 nan 8.230 nan 0.000 0.452 214 K N -0.846 119.565 120.400 0.018 0.000 3.472 214 K HA -0.200 4.119 4.320 -0.000 0.000 0.315 214 K C 0.191 176.765 176.600 -0.043 0.000 1.320 214 K CA 1.034 57.310 56.287 -0.018 0.000 0.962 214 K CB -1.275 31.207 32.500 -0.029 0.000 1.251 214 K HN 0.209 nan 8.250 nan 0.000 0.443 215 M N 0.675 120.244 119.600 -0.051 0.000 2.228 215 M HA 0.092 4.572 4.480 -0.000 0.000 0.326 215 M C 0.409 176.542 176.300 -0.278 0.000 1.122 215 M CA -0.284 54.896 55.300 -0.200 0.000 1.161 215 M CB 0.408 32.805 32.600 -0.338 0.000 1.437 215 M HN 0.055 nan 8.290 nan 0.000 0.465 216 D N 1.132 121.364 120.400 -0.279 0.000 2.450 216 D HA 0.001 4.641 4.640 -0.000 0.000 0.247 216 D C 0.930 177.001 176.300 -0.382 0.000 1.162 216 D CA -0.168 53.690 54.000 -0.236 0.000 0.879 216 D CB 0.984 41.684 40.800 -0.166 0.000 1.163 216 D HN 0.836 nan 8.370 nan 0.000 0.472 217 c N 3.549 122.022 118.600 -0.213 0.000 2.449 217 c HA 0.077 4.647 4.570 -0.000 0.000 0.283 217 c C 2.054 176.117 174.090 -0.045 0.000 1.453 217 c CA -0.198 56.068 56.329 -0.105 0.000 1.779 217 c CB -0.657 41.911 42.510 0.097 0.000 1.779 217 c HN 0.585 nan 8.230 nan 0.000 0.546 218 K N 0.851 121.216 120.400 -0.058 0.000 2.097 218 K HA -0.072 4.248 4.320 -0.000 0.000 0.205 218 K C 2.225 178.830 176.600 0.009 0.000 1.050 218 K CA 1.425 57.735 56.287 0.039 0.000 0.938 218 K CB -0.080 32.469 32.500 0.082 0.000 0.718 218 K HN 0.544 nan 8.250 nan 0.000 0.442 219 E N -0.012 120.091 120.200 -0.161 0.000 2.153 219 E HA -0.188 4.162 4.350 -0.000 0.000 0.194 219 E C 1.838 178.402 176.600 -0.060 0.000 0.988 219 E CA 1.264 57.557 56.400 -0.178 0.000 0.811 219 E CB -0.227 29.287 29.700 -0.311 0.000 0.746 219 E HN 0.533 nan 8.360 nan 0.000 0.466 220 Y N 1.057 121.370 120.300 0.022 0.000 2.293 220 Y HA -0.058 4.492 4.550 -0.000 0.000 0.291 220 Y C 1.566 177.481 175.900 0.026 0.000 1.137 220 Y CA 0.545 58.654 58.100 0.015 0.000 1.202 220 Y CB 0.126 38.580 38.460 -0.009 0.000 0.990 220 Y HN 0.030 nan 8.280 nan 0.000 0.537 221 N N -0.817 117.993 118.700 0.183 0.000 2.328 221 N HA -0.026 4.714 4.740 -0.000 0.000 0.247 221 N C -0.804 174.749 175.510 0.071 0.000 1.165 221 N CA -0.163 52.962 53.050 0.125 0.000 0.873 221 N CB 0.007 38.579 38.487 0.142 0.000 1.125 221 N HN 0.205 nan 8.380 nan 0.000 0.513 222 Y N 2.741 122.967 120.300 -0.124 0.000 2.650 222 Y HA -0.048 4.502 4.550 -0.000 0.000 0.331 222 Y C 1.162 176.818 175.900 -0.408 0.000 1.165 222 Y CA 0.604 58.472 58.100 -0.386 0.000 1.473 222 Y CB 0.076 38.348 38.460 -0.313 0.000 1.224 222 Y HN 0.219 nan 8.280 nan 0.000 0.533 223 D N 1.633 121.318 120.400 -1.192 0.000 4.210 223 D HA -0.258 4.382 4.640 -0.000 0.000 0.189 223 D C -0.816 175.428 176.300 -0.093 0.000 0.996 223 D CA 2.457 56.097 54.000 -0.600 0.000 2.266 223 D CB -1.006 39.463 40.800 -0.550 0.000 1.151 223 D HN 0.784 nan 8.370 nan 0.000 0.424 224 K N -1.423 118.916 120.400 -0.101 0.000 2.658 224 K HA 0.684 5.004 4.320 -0.000 0.000 0.293 224 K C -1.646 174.935 176.600 -0.033 0.000 1.026 224 K CA -0.783 55.507 56.287 0.006 0.000 0.871 224 K CB 1.482 33.970 32.500 -0.021 0.000 1.524 224 K HN 0.079 nan 8.250 nan 0.000 0.400 225 S N 1.263 116.969 115.700 0.009 0.000 2.756 225 S HA 0.473 4.943 4.470 -0.000 0.000 0.303 225 S C -0.304 174.303 174.600 0.012 0.000 1.135 225 S CA -0.847 57.355 58.200 0.004 0.000 1.066 225 S CB 0.132 63.355 63.200 0.037 0.000 1.008 225 S HN 0.537 nan 8.310 nan 0.000 0.482 226 I N 0.104 120.659 120.570 -0.025 0.000 2.750 226 I HA 0.803 4.972 4.170 -0.000 0.000 0.308 226 I C -0.870 175.316 176.117 0.113 0.000 1.016 226 I CA -1.143 60.175 61.300 0.030 0.000 1.098 226 I CB 1.543 39.487 38.000 -0.093 0.000 1.279 226 I HN 0.192 nan 8.210 nan 0.000 0.454 227 V N 3.220 123.267 119.914 0.221 0.000 2.350 227 V HA 0.364 4.484 4.120 -0.000 0.000 0.276 227 V C -0.824 175.429 176.094 0.266 0.000 1.028 227 V CA 0.005 62.456 62.300 0.250 0.000 0.860 227 V CB 0.847 32.842 31.823 0.287 0.000 0.990 227 V HN 0.753 nan 8.190 nan 0.000 0.453 228 D N 2.902 123.416 120.400 0.190 0.000 2.473 228 D HA 0.246 4.886 4.640 -0.000 0.000 0.253 228 D C 1.017 177.392 176.300 0.125 0.000 1.233 228 D CA -0.133 53.962 54.000 0.158 0.000 0.908 228 D CB 2.115 42.995 40.800 0.132 0.000 1.170 228 D HN 0.469 nan 8.370 nan 0.000 0.558 229 S N 1.476 117.231 115.700 0.091 0.000 2.481 229 S HA 0.014 4.484 4.470 -0.000 0.000 0.231 229 S C 1.869 176.510 174.600 0.068 0.000 0.996 229 S CA 0.740 58.973 58.200 0.055 0.000 0.942 229 S CB 0.091 63.285 63.200 -0.009 0.000 0.768 229 S HN 0.423 nan 8.310 nan 0.000 0.520 230 G N 1.213 110.057 108.800 0.073 0.000 2.408 230 G HA2 0.089 4.049 3.960 -0.000 0.000 0.215 230 G HA3 0.089 4.049 3.960 -0.000 0.000 0.215 230 G C 0.571 175.544 174.900 0.121 0.000 1.156 230 G CA 0.494 45.640 45.100 0.075 0.000 0.793 230 G HN 0.515 nan 8.290 nan 0.000 0.535 231 T N 1.133 115.763 114.554 0.126 0.000 2.901 231 T HA 0.328 4.678 4.350 -0.000 0.000 0.301 231 T C 1.426 176.195 174.700 0.114 0.000 1.012 231 T CA 0.121 62.291 62.100 0.116 0.000 1.135 231 T CB 1.662 70.581 68.868 0.085 0.000 0.936 231 T HN 0.011 nan 8.240 nan 0.000 0.539 232 T N 3.246 117.865 114.554 0.107 0.000 2.809 232 T HA 0.016 4.366 4.350 -0.000 0.000 0.260 232 T C 1.094 175.845 174.700 0.085 0.000 1.039 232 T CA 0.701 62.865 62.100 0.108 0.000 1.141 232 T CB -0.017 68.908 68.868 0.096 0.000 0.869 232 T HN 0.405 nan 8.240 nan 0.000 0.437 233 N N 1.007 119.740 118.700 0.054 0.000 2.458 233 N HA 0.417 5.157 4.740 -0.000 0.000 0.271 233 N C -0.837 174.690 175.510 0.028 0.000 1.210 233 N CA -0.762 52.303 53.050 0.025 0.000 0.978 233 N CB 0.511 38.992 38.487 -0.009 0.000 1.206 233 N HN 0.091 nan 8.380 nan 0.000 0.536 234 L N 0.990 122.220 121.223 0.011 0.000 2.278 234 L HA 0.341 4.681 4.340 -0.000 0.000 0.287 234 L C -0.331 176.543 176.870 0.007 0.000 1.072 234 L CA 0.044 54.894 54.840 0.018 0.000 0.819 234 L CB 0.025 42.093 42.059 0.016 0.000 1.176 234 L HN 0.343 nan 8.230 nan 0.000 0.435 235 R N 6.146 126.650 120.500 0.008 0.000 2.387 235 R HA 0.684 5.024 4.340 -0.000 0.000 0.314 235 R C -1.271 175.040 176.300 0.019 0.000 0.958 235 R CA -0.719 55.374 56.100 -0.011 0.000 0.846 235 R CB 1.411 31.686 30.300 -0.042 0.000 1.147 235 R HN 0.622 nan 8.270 nan 0.000 0.447 236 L N 3.672 124.930 121.223 0.057 0.000 2.354 236 L HA 0.548 4.888 4.340 -0.000 0.000 0.269 236 L C -2.317 174.613 176.870 0.100 0.000 1.005 236 L CA -2.754 52.155 54.840 0.114 0.000 0.819 236 L CB 2.161 44.349 42.059 0.215 0.000 1.311 236 L HN 0.273 nan 8.230 nan 0.000 0.423 237 P HA -0.014 nan 4.420 nan 0.000 0.268 237 P C 0.252 177.634 177.300 0.137 0.000 1.208 237 P CA -0.152 63.018 63.100 0.116 0.000 0.777 237 P CB 0.673 32.469 31.700 0.159 0.000 0.875 238 K N 2.734 123.198 120.400 0.106 0.000 2.034 238 K HA -0.265 4.055 4.320 -0.000 0.000 0.214 238 K C 1.612 178.296 176.600 0.140 0.000 1.051 238 K CA 1.892 58.248 56.287 0.115 0.000 0.931 238 K CB -0.133 32.409 32.500 0.069 0.000 0.715 238 K HN 0.292 nan 8.250 nan 0.000 0.446 239 K N 0.107 120.545 120.400 0.064 0.000 2.002 239 K HA -0.115 4.205 4.320 -0.000 0.000 0.209 239 K C 2.124 178.758 176.600 0.058 0.000 1.048 239 K CA 1.599 57.901 56.287 0.025 0.000 0.930 239 K CB -0.159 32.307 32.500 -0.057 0.000 0.714 239 K HN 0.051 nan 8.250 nan 0.000 0.438 240 V N 1.194 121.163 119.914 0.092 0.000 2.343 240 V HA -0.242 3.878 4.120 -0.000 0.000 0.247 240 V C 2.065 178.249 176.094 0.150 0.000 1.051 240 V CA 1.675 64.057 62.300 0.136 0.000 1.036 240 V CB -0.604 31.346 31.823 0.211 0.000 0.654 240 V HN 0.221 nan 8.190 nan 0.000 0.451 241 F N 1.262 121.238 119.950 0.045 0.000 2.126 241 F HA -0.188 4.339 4.527 -0.000 0.000 0.299 241 F C 2.367 178.188 175.800 0.035 0.000 1.096 241 F CA 2.100 60.128 58.000 0.046 0.000 1.255 241 F CB -0.233 38.797 39.000 0.051 0.000 0.997 241 F HN 0.205 nan 8.300 nan 0.000 0.479 242 E N 0.162 120.375 120.200 0.021 0.000 2.031 242 E HA -0.226 4.124 4.350 -0.000 0.000 0.193 242 E C 2.388 178.895 176.600 -0.155 0.000 0.994 242 E CA 1.156 57.499 56.400 -0.094 0.000 0.800 242 E CB -0.524 29.185 29.700 0.015 0.000 0.752 242 E HN 0.487 nan 8.360 nan 0.000 0.447 243 A N 1.250 124.021 122.820 -0.082 0.000 1.972 243 A HA -0.101 4.219 4.320 -0.000 0.000 0.219 243 A C 2.302 179.823 177.584 -0.105 0.000 1.169 243 A CA 1.657 53.648 52.037 -0.076 0.000 0.635 243 A CB -0.466 18.520 19.000 -0.024 0.000 0.810 243 A HN 0.299 nan 8.150 nan 0.000 0.446 244 A N -0.581 122.167 122.820 -0.121 0.000 1.872 244 A HA 0.056 4.376 4.320 -0.000 0.000 0.214 244 A C 2.181 179.634 177.584 -0.219 0.000 1.187 244 A CA 1.623 53.580 52.037 -0.133 0.000 0.614 244 A CB -0.872 18.075 19.000 -0.088 0.000 0.826 244 A HN 0.383 nan 8.150 nan 0.000 0.442 245 V N 0.471 120.160 119.914 -0.376 0.000 2.427 245 V HA -0.236 3.884 4.120 -0.000 0.000 0.248 245 V C 2.498 178.291 176.094 -0.502 0.000 1.051 245 V CA 2.222 64.224 62.300 -0.497 0.000 1.048 245 V CB -0.661 30.753 31.823 -0.682 0.000 0.666 245 V HN 0.612 nan 8.190 nan 0.000 0.456 246 K N -0.124 120.063 120.400 -0.355 0.000 2.097 246 K HA -0.187 4.133 4.320 -0.000 0.000 0.206 246 K C 2.464 178.934 176.600 -0.217 0.000 1.049 246 K CA 1.710 57.833 56.287 -0.273 0.000 0.933 246 K CB -0.187 32.205 32.500 -0.181 0.000 0.717 246 K HN 0.420 nan 8.250 nan 0.000 0.442 247 S N 0.391 115.987 115.700 -0.174 0.000 2.414 247 S HA 0.009 4.479 4.470 -0.000 0.000 0.227 247 S C 1.835 176.376 174.600 -0.099 0.000 1.022 247 S CA 0.522 58.655 58.200 -0.111 0.000 0.958 247 S CB -0.069 63.085 63.200 -0.076 0.000 0.797 247 S HN 0.284 nan 8.310 nan 0.000 0.493 248 I N 0.942 121.425 120.570 -0.145 0.000 2.353 248 I HA -0.109 4.061 4.170 -0.000 0.000 0.248 248 I C 2.430 178.480 176.117 -0.112 0.000 1.119 248 I CA 0.991 62.250 61.300 -0.069 0.000 1.417 248 I CB -0.157 37.822 38.000 -0.036 0.000 1.078 248 I HN 0.194 nan 8.210 nan 0.000 0.421 249 K N 0.908 121.091 120.400 -0.362 0.000 2.057 249 K HA -0.120 4.200 4.320 -0.000 0.000 0.207 249 K C 2.269 178.824 176.600 -0.075 0.000 1.049 249 K CA 1.493 57.598 56.287 -0.304 0.000 0.931 249 K CB -0.247 31.964 32.500 -0.481 0.000 0.714 249 K HN 0.297 nan 8.250 nan 0.000 0.440 250 A N 1.204 123.971 122.820 -0.088 0.000 1.898 250 A HA -0.093 4.226 4.320 -0.000 0.000 0.216 250 A C 2.304 179.881 177.584 -0.011 0.000 1.181 250 A CA 1.824 53.835 52.037 -0.044 0.000 0.620 250 A CB -0.637 18.332 19.000 -0.052 0.000 0.819 250 A HN 0.333 nan 8.150 nan 0.000 0.442 251 A N 0.041 122.866 122.820 0.008 0.000 2.014 251 A HA 0.072 4.391 4.320 -0.000 0.000 0.218 251 A C 1.901 179.503 177.584 0.030 0.000 1.163 251 A CA 1.561 53.618 52.037 0.032 0.000 0.652 251 A CB -0.572 18.467 19.000 0.066 0.000 0.808 251 A HN 0.960 nan 8.150 nan 0.000 0.449 252 S N -0.776 114.954 115.700 0.049 0.000 2.519 252 S HA 0.287 4.757 4.470 -0.000 0.000 0.245 252 S C 0.836 175.448 174.600 0.019 0.000 1.152 252 S CA 0.270 58.465 58.200 -0.007 0.000 1.175 252 S CB 0.285 63.485 63.200 0.000 0.000 0.829 252 S HN 0.245 nan 8.310 nan 0.000 0.472 253 S N 2.193 117.889 115.700 -0.007 0.000 2.402 253 S HA -0.094 4.376 4.470 -0.000 0.000 0.229 253 S C 1.938 176.502 174.600 -0.061 0.000 1.021 253 S CA 1.616 59.803 58.200 -0.022 0.000 0.974 253 S CB -0.621 62.565 63.200 -0.022 0.000 0.800 253 S HN 0.818 nan 8.310 nan 0.000 0.484 254 T N 1.736 116.248 114.554 -0.070 0.000 2.760 254 T HA -0.125 4.225 4.350 -0.000 0.000 0.269 254 T C 0.592 175.222 174.700 -0.115 0.000 1.047 254 T CA 1.232 63.284 62.100 -0.080 0.000 1.139 254 T CB -0.165 68.659 68.868 -0.073 0.000 0.855 254 T HN 0.504 nan 8.240 nan 0.000 0.471 255 E N 0.169 120.260 120.200 -0.182 0.000 2.288 255 E HA 0.434 4.784 4.350 -0.000 0.000 0.268 255 E C -0.780 175.461 176.600 -0.598 0.000 0.885 255 E CA -0.969 55.223 56.400 -0.346 0.000 0.767 255 E CB 1.480 30.983 29.700 -0.328 0.000 1.220 255 E HN -0.050 nan 8.360 nan 0.000 0.427 256 K N 1.836 121.879 120.400 -0.594 0.000 2.156 256 K HA 0.545 4.865 4.320 -0.000 0.000 0.254 256 K C -0.835 175.330 176.600 -0.724 0.000 0.950 256 K CA -0.453 55.541 56.287 -0.489 0.000 0.849 256 K CB 0.993 33.383 32.500 -0.182 0.000 1.100 256 K HN 0.378 nan 8.250 nan 0.000 0.434 257 F N 1.601 121.588 119.950 0.062 0.000 2.563 257 F HA 0.325 4.852 4.527 -0.000 0.000 0.316 257 F C -1.689 174.107 175.800 -0.006 0.000 1.076 257 F CA -2.207 55.729 58.000 -0.106 0.000 0.921 257 F CB 1.275 40.056 39.000 -0.366 0.000 1.209 257 F HN 0.309 nan 8.300 nan 0.000 0.462 258 P HA -0.049 nan 4.420 nan 0.000 0.264 258 P C 0.041 177.461 177.300 0.200 0.000 1.183 258 P CA 0.334 63.505 63.100 0.117 0.000 0.763 258 P CB 0.834 32.572 31.700 0.064 0.000 0.807 259 D N 2.360 122.888 120.400 0.213 0.000 2.311 259 D HA -0.097 4.543 4.640 -0.000 0.000 0.212 259 D C 1.963 178.427 176.300 0.272 0.000 0.972 259 D CA 1.648 55.818 54.000 0.283 0.000 0.887 259 D CB -0.344 40.574 40.800 0.197 0.000 0.915 259 D HN 0.588 nan 8.370 nan 0.000 0.497 260 G N -1.357 107.559 108.800 0.194 0.000 3.042 260 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.212 260 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.212 260 G C 1.093 176.082 174.900 0.149 0.000 1.166 260 G CA -0.207 44.992 45.100 0.164 0.000 0.767 260 G HN 0.297 nan 8.290 nan 0.000 0.546 261 F N 0.359 120.270 119.950 -0.066 0.000 2.206 261 F HA 0.063 4.589 4.527 -0.000 0.000 0.298 261 F C 1.916 177.591 175.800 -0.208 0.000 1.090 261 F CA 0.783 58.649 58.000 -0.224 0.000 1.323 261 F CB -0.118 38.603 39.000 -0.465 0.000 1.028 261 F HN 0.222 nan 8.300 nan 0.000 0.492 262 W N 0.408 121.608 121.300 -0.167 0.000 2.595 262 W HA 0.024 4.684 4.660 -0.000 0.000 0.257 262 W C 1.539 178.119 176.519 0.101 0.000 1.267 262 W CA 0.275 57.428 57.345 -0.320 0.000 1.300 262 W CB -0.431 28.897 29.460 -0.219 0.000 1.120 262 W HN -0.033 nan 8.180 nan 0.000 0.618 263 L N 0.464 121.858 121.223 0.287 0.000 2.611 263 L HA 0.296 4.636 4.340 -0.000 0.000 0.229 263 L C 1.960 178.931 176.870 0.169 0.000 1.137 263 L CA 0.648 55.654 54.840 0.275 0.000 0.901 263 L CB -0.642 41.542 42.059 0.208 0.000 1.098 263 L HN 0.242 nan 8.230 nan 0.000 0.456 264 G N -0.260 108.609 108.800 0.115 0.000 2.220 264 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.269 264 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.269 264 G C 0.915 175.847 174.900 0.053 0.000 0.977 264 G CA 0.795 45.931 45.100 0.060 0.000 0.634 264 G HN 0.475 nan 8.290 nan 0.000 0.539 265 E N -0.149 120.092 120.200 0.067 0.000 2.072 265 E HA 0.037 4.387 4.350 -0.000 0.000 0.190 265 E C 1.447 178.093 176.600 0.076 0.000 0.982 265 E CA 0.738 57.179 56.400 0.069 0.000 0.803 265 E CB 0.060 29.804 29.700 0.074 0.000 0.755 265 E HN 0.649 nan 8.360 nan 0.000 0.453 266 Q N 0.512 120.374 119.800 0.103 0.000 2.235 266 Q HA 0.396 4.736 4.340 -0.000 0.000 0.256 266 Q C -1.205 174.918 176.000 0.205 0.000 0.951 266 Q CA -0.726 55.154 55.803 0.128 0.000 0.890 266 Q CB 1.792 30.606 28.738 0.127 0.000 1.279 266 Q HN 0.025 nan 8.270 nan 0.000 0.444 267 L N 1.997 123.292 121.223 0.121 0.000 2.325 267 L HA 0.457 4.797 4.340 -0.000 0.000 0.279 267 L C -1.140 175.705 176.870 -0.042 0.000 1.054 267 L CA -0.383 54.516 54.840 0.098 0.000 0.804 267 L CB 1.803 43.879 42.059 0.029 0.000 1.200 267 L HN 0.354 nan 8.230 nan 0.000 0.436 268 V N 3.331 123.155 119.914 -0.150 0.000 2.540 268 V HA 0.536 4.656 4.120 -0.000 0.000 0.302 268 V C -0.610 175.159 176.094 -0.542 0.000 1.035 268 V CA -0.550 61.440 62.300 -0.516 0.000 0.873 268 V CB 1.687 32.864 31.823 -1.077 0.000 0.992 268 V HN 0.900 nan 8.190 nan 0.000 0.428 269 c N 3.625 121.838 118.600 -0.645 0.000 2.848 269 c HA 0.761 5.331 4.570 -0.000 0.000 0.317 269 c C -0.801 172.899 174.090 -0.650 0.000 1.260 269 c CA -0.889 55.171 56.329 -0.448 0.000 1.656 269 c CB 1.989 44.374 42.510 -0.209 0.000 2.174 269 c HN 0.883 nan 8.230 nan 0.000 0.479 270 W N -0.886 120.423 121.300 0.016 0.000 3.047 270 W HA 0.563 5.223 4.660 -0.000 0.000 0.341 270 W C 0.064 176.583 176.519 0.000 0.000 1.225 270 W CA -0.395 56.955 57.345 0.008 0.000 1.150 270 W CB 0.656 30.118 29.460 0.003 0.000 1.470 270 W HN 0.925 nan 8.180 nan 0.000 0.578 271 Q N 0.556 120.497 119.800 0.235 0.000 2.524 271 Q HA 0.506 4.846 4.340 -0.000 0.000 0.246 271 Q C 0.325 176.403 176.000 0.129 0.000 1.063 271 Q CA 0.381 56.263 55.803 0.132 0.000 0.945 271 Q CB 0.004 28.800 28.738 0.097 0.000 1.292 271 Q HN 0.599 nan 8.270 nan 0.000 0.518 272 A N 0.215 123.087 122.820 0.087 0.000 2.566 272 A HA 0.471 4.791 4.320 -0.000 0.000 0.245 272 A C 1.889 179.520 177.584 0.079 0.000 1.056 272 A CA 1.066 53.151 52.037 0.079 0.000 0.757 272 A CB -0.967 18.065 19.000 0.055 0.000 0.979 272 A HN 2.628 nan 8.150 nan 0.000 0.508 273 G N 1.917 110.773 108.800 0.093 0.000 2.353 273 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.258 273 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.258 273 G C 1.146 176.079 174.900 0.056 0.000 1.013 273 G CA 1.594 46.748 45.100 0.090 0.000 0.622 273 G HN 2.162 nan 8.290 nan 0.000 0.535 274 T N -0.153 114.424 114.554 0.038 0.000 3.361 274 T HA 0.351 4.701 4.350 -0.000 0.000 0.251 274 T C 0.924 175.514 174.700 -0.184 0.000 1.131 274 T CA 1.108 63.198 62.100 -0.016 0.000 1.001 274 T CB -0.339 68.552 68.868 0.039 0.000 1.003 274 T HN 0.491 nan 8.240 nan 0.000 0.558 275 T N 5.747 120.130 114.554 -0.286 0.000 2.793 275 T HA 0.207 4.557 4.350 -0.000 0.000 0.289 275 T C -2.298 171.812 174.700 -0.984 0.000 0.956 275 T CA -0.777 60.826 62.100 -0.829 0.000 1.177 275 T CB 0.652 68.949 68.868 -0.950 0.000 0.897 275 T HN 0.276 nan 8.240 nan 0.000 0.533 276 P HA 0.204 nan 4.420 nan 0.000 0.225 276 P C 0.033 177.144 177.300 -0.316 0.000 1.830 276 P CA -0.550 62.234 63.100 -0.525 0.000 1.051 276 P CB -0.132 31.305 31.700 -0.439 0.000 1.929 277 W N 2.110 123.357 121.300 -0.089 0.000 2.358 277 W HA -0.210 4.450 4.660 0.000 0.000 0.303 277 W C 2.274 178.856 176.519 0.106 0.000 1.208 277 W CA 1.104 58.457 57.345 0.012 0.000 1.274 277 W CB -1.085 28.359 29.460 -0.027 0.000 1.138 277 W HN 0.256 nan 8.180 nan 0.000 0.515 278 N N 1.442 120.307 118.700 0.275 0.000 2.334 278 N HA -0.203 4.537 4.740 -0.000 0.000 0.187 278 N C 1.353 176.931 175.510 0.115 0.000 1.016 278 N CA 1.889 55.043 53.050 0.174 0.000 0.879 278 N CB -1.041 37.496 38.487 0.082 0.000 0.965 278 N HN 0.277 nan 8.380 nan 0.000 0.438 279 I N -0.215 120.386 120.570 0.052 0.000 2.179 279 I HA -0.148 4.022 4.170 -0.000 0.000 0.242 279 I C 0.545 176.641 176.117 -0.035 0.000 1.088 279 I CA 0.712 61.967 61.300 -0.074 0.000 1.357 279 I CB -0.467 37.377 38.000 -0.259 0.000 1.051 279 I HN -0.115 nan 8.210 nan 0.000 0.409 280 F N 2.732 122.800 119.950 0.197 0.000 2.471 280 F HA 0.192 4.719 4.527 -0.000 0.000 0.353 280 F C -1.676 174.295 175.800 0.286 0.000 1.113 280 F CA -2.309 55.869 58.000 0.297 0.000 1.262 280 F CB -0.405 38.803 39.000 0.347 0.000 1.146 280 F HN -0.100 nan 8.300 nan 0.000 0.578 281 P HA 0.210 nan 4.420 nan 0.000 0.276 281 P C -0.860 176.666 177.300 0.376 0.000 1.261 281 P CA -0.346 62.950 63.100 0.327 0.000 0.800 281 P CB 1.156 32.994 31.700 0.230 0.000 1.066 282 V N -1.446 118.619 119.914 0.252 0.000 2.785 282 V HA 0.510 4.630 4.120 -0.000 0.000 0.300 282 V C 0.200 176.395 176.094 0.169 0.000 1.062 282 V CA -0.619 61.820 62.300 0.232 0.000 1.029 282 V CB 0.398 32.314 31.823 0.155 0.000 1.024 282 V HN 0.274 nan 8.190 nan 0.000 0.477 283 I N 2.573 123.236 120.570 0.155 0.000 2.436 283 I HA 0.493 4.663 4.170 -0.000 0.000 0.289 283 I C -0.231 175.908 176.117 0.036 0.000 1.010 283 I CA -0.227 61.108 61.300 0.059 0.000 1.098 283 I CB 2.030 40.029 38.000 -0.001 0.000 1.266 283 I HN 0.674 nan 8.210 nan 0.000 0.434 284 S N 7.283 122.977 115.700 -0.010 0.000 2.669 284 S HA 0.542 5.012 4.470 -0.000 0.000 0.315 284 S C -0.391 174.153 174.600 -0.092 0.000 1.106 284 S CA -0.612 57.553 58.200 -0.059 0.000 1.107 284 S CB 0.881 64.056 63.200 -0.042 0.000 0.990 284 S HN 0.371 nan 8.310 nan 0.000 0.471 285 L N 3.828 124.941 121.223 -0.183 0.000 2.260 285 L HA 0.444 4.784 4.340 -0.000 0.000 0.289 285 L C -0.895 175.778 176.870 -0.329 0.000 1.057 285 L CA -0.733 53.966 54.840 -0.234 0.000 0.811 285 L CB 0.125 42.026 42.059 -0.263 0.000 1.184 285 L HN 0.570 nan 8.230 nan 0.000 0.429 286 Y N 4.095 124.139 120.300 -0.427 0.000 2.335 286 Y HA 0.446 4.995 4.550 -0.000 0.000 0.331 286 Y C 0.160 175.759 175.900 -0.502 0.000 1.094 286 Y CA -0.115 57.702 58.100 -0.473 0.000 1.253 286 Y CB 0.954 39.165 38.460 -0.416 0.000 1.203 286 Y HN 0.390 nan 8.280 nan 0.000 0.508 287 L N 4.197 125.045 121.223 -0.626 0.000 2.362 287 L HA 0.462 4.802 4.340 -0.000 0.000 0.271 287 L C -0.083 176.437 176.870 -0.584 0.000 1.002 287 L CA -1.002 53.443 54.840 -0.659 0.000 0.818 287 L CB 1.845 43.340 42.059 -0.940 0.000 1.298 287 L HN 0.587 nan 8.230 nan 0.000 0.420 288 M N 1.685 121.128 119.600 -0.261 0.000 2.260 288 M HA 0.174 4.654 4.480 -0.000 0.000 0.348 288 M C 0.521 176.822 176.300 0.002 0.000 1.342 288 M CA 0.424 55.672 55.300 -0.086 0.000 1.040 288 M CB 0.613 33.216 32.600 0.004 0.000 1.810 288 M HN 0.769 nan 8.290 nan 0.000 0.453 289 G N 3.500 112.384 108.800 0.141 0.000 2.532 289 G HA2 0.233 4.193 3.960 -0.000 0.000 0.291 289 G HA3 0.233 4.193 3.960 -0.000 0.000 0.291 289 G C 0.063 175.127 174.900 0.274 0.000 1.349 289 G CA -0.341 44.976 45.100 0.361 0.000 1.038 289 G HN 0.891 nan 8.290 nan 0.000 0.518 290 E N -1.566 118.804 120.200 0.283 0.000 2.166 290 E HA 0.050 4.400 4.350 -0.000 0.000 0.192 290 E C 0.752 177.432 176.600 0.134 0.000 0.967 290 E CA 0.020 56.528 56.400 0.180 0.000 0.840 290 E CB 0.291 30.077 29.700 0.142 0.000 0.795 290 E HN 0.138 nan 8.360 nan 0.000 0.470 291 V N 2.420 122.424 119.914 0.149 0.000 2.811 291 V HA 0.010 4.130 4.120 -0.000 0.000 0.302 291 V C 0.496 176.656 176.094 0.110 0.000 1.063 291 V CA -0.155 62.214 62.300 0.115 0.000 1.088 291 V CB 1.300 33.194 31.823 0.119 0.000 0.982 291 V HN 0.138 nan 8.190 nan 0.000 0.485 292 T N 4.581 119.185 114.554 0.082 0.000 2.928 292 T HA 0.078 4.428 4.350 -0.000 0.000 0.305 292 T C 0.731 175.478 174.700 0.077 0.000 1.035 292 T CA 0.022 62.165 62.100 0.072 0.000 1.145 292 T CB -0.230 68.670 68.868 0.054 0.000 0.963 292 T HN 0.822 nan 8.240 nan 0.000 0.545 293 N N 1.526 120.271 118.700 0.075 0.000 2.735 293 N HA -0.165 4.575 4.740 -0.000 0.000 0.248 293 N C -0.318 175.252 175.510 0.100 0.000 1.083 293 N CA 0.776 53.871 53.050 0.075 0.000 0.703 293 N CB -0.801 37.723 38.487 0.061 0.000 1.005 293 N HN 0.790 nan 8.380 nan 0.000 0.550 294 Q N 0.023 119.898 119.800 0.125 0.000 2.372 294 Q HA 0.623 4.963 4.340 -0.000 0.000 0.273 294 Q C -0.880 175.231 176.000 0.185 0.000 1.078 294 Q CA -0.499 55.407 55.803 0.171 0.000 0.806 294 Q CB 1.851 30.713 28.738 0.208 0.000 1.332 294 Q HN 0.343 nan 8.270 nan 0.000 0.435 295 S N 1.610 117.434 115.700 0.207 0.000 2.638 295 S HA 0.851 5.321 4.470 -0.000 0.000 0.274 295 S C -1.101 173.605 174.600 0.177 0.000 1.157 295 S CA -0.743 57.538 58.200 0.135 0.000 0.826 295 S CB 1.245 64.491 63.200 0.077 0.000 1.139 295 S HN 0.551 nan 8.310 nan 0.000 0.474 296 F N -0.955 118.950 119.950 -0.074 0.000 2.599 296 F HA 0.883 5.410 4.527 -0.000 0.000 0.311 296 F C -0.658 174.841 175.800 -0.502 0.000 1.076 296 F CA -1.274 56.534 58.000 -0.319 0.000 0.937 296 F CB 1.449 40.045 39.000 -0.674 0.000 1.282 296 F HN 0.904 nan 8.300 nan 0.000 0.460 297 R N 3.039 123.233 120.500 -0.509 0.000 2.514 297 R HA 0.807 5.147 4.340 -0.000 0.000 0.301 297 R C -1.169 174.863 176.300 -0.447 0.000 0.962 297 R CA -0.781 54.801 56.100 -0.864 0.000 0.882 297 R CB 1.772 31.114 30.300 -1.597 0.000 1.143 297 R HN 0.944 nan 8.270 nan 0.000 0.452 298 I N -0.463 119.820 120.570 -0.478 0.000 2.437 298 I HA 0.568 4.738 4.170 -0.000 0.000 0.298 298 I C -0.928 175.092 176.117 -0.162 0.000 0.984 298 I CA -0.662 60.389 61.300 -0.414 0.000 1.214 298 I CB 2.426 39.861 38.000 -0.941 0.000 1.365 298 I HN 0.553 nan 8.210 nan 0.000 0.469 299 T N 7.005 121.638 114.554 0.130 0.000 2.848 299 T HA 0.624 4.974 4.350 -0.000 0.000 0.285 299 T C -0.237 174.619 174.700 0.260 0.000 0.995 299 T CA -0.450 61.737 62.100 0.145 0.000 0.970 299 T CB 1.493 70.395 68.868 0.057 0.000 0.976 299 T HN 0.650 nan 8.240 nan 0.000 0.441 300 I N 0.720 121.412 120.570 0.203 0.000 2.648 300 I HA 0.723 4.893 4.170 -0.000 0.000 0.304 300 I C -0.808 175.413 176.117 0.173 0.000 1.009 300 I CA -1.370 60.017 61.300 0.146 0.000 1.114 300 I CB 1.197 39.311 38.000 0.190 0.000 1.293 300 I HN 0.411 nan 8.210 nan 0.000 0.449 301 L N 3.691 124.967 121.223 0.089 0.000 2.387 301 L HA 0.497 4.837 4.340 -0.000 0.000 0.266 301 L C -1.423 175.379 176.870 -0.115 0.000 1.059 301 L CA -1.723 53.152 54.840 0.057 0.000 0.801 301 L CB 0.824 42.863 42.059 -0.033 0.000 1.223 301 L HN 0.408 nan 8.230 nan 0.000 0.456 302 P HA -0.233 nan 4.420 nan 0.000 0.217 302 P C 1.075 178.014 177.300 -0.602 0.000 1.151 302 P CA 1.333 63.902 63.100 -0.885 0.000 0.849 302 P CB 0.202 31.802 31.700 -0.168 0.000 0.787 303 Q N -0.691 118.811 119.800 -0.497 0.000 2.248 303 Q HA -0.216 4.124 4.340 -0.000 0.000 0.208 303 Q C 2.296 178.141 176.000 -0.258 0.000 0.984 303 Q CA 1.743 57.201 55.803 -0.575 0.000 0.875 303 Q CB -0.600 27.728 28.738 -0.683 0.000 0.910 303 Q HN 0.345 nan 8.270 nan 0.000 0.433 304 Q N -1.557 118.120 119.800 -0.205 0.000 2.107 304 Q HA -0.046 4.294 4.340 -0.000 0.000 0.195 304 Q C 1.214 177.217 176.000 0.005 0.000 0.964 304 Q CA 1.182 56.954 55.803 -0.053 0.000 0.833 304 Q CB -0.075 28.674 28.738 0.018 0.000 0.910 304 Q HN 0.714 nan 8.270 nan 0.000 0.465 305 Y N -1.227 119.078 120.300 0.009 0.000 2.462 305 Y HA 0.446 4.996 4.550 -0.000 0.000 0.293 305 Y C -0.425 175.459 175.900 -0.027 0.000 1.195 305 Y CA -0.356 57.720 58.100 -0.040 0.000 1.276 305 Y CB -0.167 38.248 38.460 -0.075 0.000 1.082 305 Y HN -0.171 nan 8.280 nan 0.000 0.514 306 L N 2.635 123.802 121.223 -0.093 0.000 2.345 306 L HA 0.479 4.819 4.340 -0.000 0.000 0.274 306 L C -0.244 176.776 176.870 0.249 0.000 0.999 306 L CA -0.777 54.094 54.840 0.051 0.000 0.849 306 L CB 1.666 43.608 42.059 -0.196 0.000 1.220 306 L HN 0.082 nan 8.230 nan 0.000 0.422 307 R N 4.585 125.261 120.500 0.295 0.000 2.221 307 R HA 0.389 4.728 4.340 -0.000 0.000 0.327 307 R C -2.455 174.036 176.300 0.318 0.000 1.033 307 R CA -1.535 54.729 56.100 0.272 0.000 0.887 307 R CB 1.200 31.592 30.300 0.154 0.000 1.057 307 R HN 0.208 nan 8.270 nan 0.000 0.455 308 P HA 0.038 nan 4.420 nan 0.000 0.271 308 P C -0.835 176.440 177.300 -0.042 0.000 1.226 308 P CA -0.154 62.926 63.100 -0.033 0.000 0.765 308 P CB 1.099 32.822 31.700 0.039 0.000 0.835 318 D N 1.205 121.631 120.400 0.043 0.000 2.325 318 D HA 0.309 4.949 4.640 -0.000 0.000 0.251 318 D C -0.134 176.120 176.300 -0.077 0.000 1.196 318 D CA 0.264 54.255 54.000 -0.014 0.000 0.866 318 D CB 0.676 41.551 40.800 0.125 0.000 1.101 318 D HN 0.181 nan 8.370 nan 0.000 0.476 319 c N 2.873 121.276 118.600 -0.328 0.000 2.493 319 c HA 0.623 5.193 4.570 -0.000 0.000 0.326 319 c C -0.576 173.206 174.090 -0.513 0.000 1.200 319 c CA -0.733 55.432 56.329 -0.274 0.000 1.739 319 c CB 0.285 42.701 42.510 -0.156 0.000 2.300 319 c HN 0.539 nan 8.230 nan 0.000 0.500 320 Y N 0.216 120.568 120.300 0.087 0.000 2.534 320 Y HA 0.535 5.085 4.550 -0.000 0.000 0.345 320 Y C -0.134 175.884 175.900 0.196 0.000 1.031 320 Y CA -0.773 57.418 58.100 0.152 0.000 1.022 320 Y CB 1.486 40.075 38.460 0.216 0.000 1.292 320 Y HN 0.534 nan 8.280 nan 0.000 0.459 321 K N 2.351 122.955 120.400 0.340 0.000 2.323 321 K HA 0.407 4.727 4.320 -0.000 0.000 0.259 321 K C -1.391 175.328 176.600 0.199 0.000 0.947 321 K CA -0.742 55.693 56.287 0.247 0.000 0.819 321 K CB 0.890 33.473 32.500 0.138 0.000 1.109 321 K HN 0.596 nan 8.250 nan 0.000 0.429 322 F N 3.917 123.753 119.950 -0.191 0.000 2.519 322 F HA 0.171 4.698 4.527 -0.000 0.000 0.375 322 F C 0.391 176.175 175.800 -0.027 0.000 1.084 322 F CA -0.025 57.825 58.000 -0.250 0.000 1.147 322 F CB 0.555 39.064 39.000 -0.817 0.000 1.088 322 F HN 0.659 nan 8.300 nan 0.000 0.555 323 A N 7.758 130.375 122.820 -0.337 0.000 2.532 323 A HA 0.375 4.695 4.320 -0.000 0.000 0.273 323 A C 0.145 177.542 177.584 -0.312 0.000 1.342 323 A CA -0.235 51.677 52.037 -0.207 0.000 0.929 323 A CB -1.059 17.923 19.000 -0.030 0.000 1.051 323 A HN 0.631 nan 8.150 nan 0.000 0.521 324 I N 1.263 121.431 120.570 -0.670 0.000 2.406 324 I HA 0.372 4.542 4.170 -0.000 0.000 0.290 324 I C 0.148 176.308 176.117 0.072 0.000 0.999 324 I CA -0.320 60.789 61.300 -0.318 0.000 1.124 324 I CB 2.122 39.887 38.000 -0.392 0.000 1.289 324 I HN 0.283 nan 8.210 nan 0.000 0.441 325 S N 4.701 120.418 115.700 0.028 0.000 2.667 325 S HA 0.585 5.055 4.470 -0.000 0.000 0.292 325 S C -0.849 173.376 174.600 -0.625 0.000 1.126 325 S CA -1.005 57.045 58.200 -0.250 0.000 0.881 325 S CB 1.785 64.884 63.200 -0.168 0.000 1.132 325 S HN 0.620 nan 8.310 nan 0.000 0.492 326 Q N 0.312 119.485 119.800 -1.046 0.000 2.260 326 Q HA 0.736 5.076 4.340 -0.000 0.000 0.238 326 Q C -0.631 175.185 176.000 -0.308 0.000 0.948 326 Q CA -0.663 54.684 55.803 -0.759 0.000 0.895 326 Q CB 1.189 29.470 28.738 -0.762 0.000 1.218 326 Q HN 0.576 nan 8.270 nan 0.000 0.470 327 S N -0.328 115.272 115.700 -0.166 0.000 2.533 327 S HA 0.301 4.771 4.470 -0.000 0.000 0.271 327 S C -0.193 174.374 174.600 -0.056 0.000 1.143 327 S CA -0.193 57.946 58.200 -0.102 0.000 0.891 327 S CB 1.687 64.835 63.200 -0.088 0.000 1.105 327 S HN 0.729 nan 8.310 nan 0.000 0.468 328 S N 1.123 116.788 115.700 -0.058 0.000 2.502 328 S HA 0.036 4.506 4.470 -0.000 0.000 0.215 328 S C 1.248 175.792 174.600 -0.094 0.000 1.009 328 S CA 0.681 58.856 58.200 -0.041 0.000 0.908 328 S CB -0.361 62.823 63.200 -0.027 0.000 0.801 328 S HN 0.879 nan 8.310 nan 0.000 0.505 329 T N -0.481 114.008 114.554 -0.109 0.000 3.235 329 T HA 0.552 4.902 4.350 -0.000 0.000 0.251 329 T C 1.080 175.667 174.700 -0.188 0.000 1.060 329 T CA 0.179 62.189 62.100 -0.149 0.000 0.949 329 T CB -0.648 68.136 68.868 -0.141 0.000 1.020 329 T HN 1.089 nan 8.240 nan 0.000 0.564 330 G N 1.034 109.737 108.800 -0.162 0.000 2.660 330 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.247 330 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.247 330 G C -0.408 174.445 174.900 -0.079 0.000 1.328 330 G CA -0.649 44.367 45.100 -0.140 0.000 0.884 330 G HN 0.481 nan 8.290 nan 0.000 0.531 331 T N 0.425 114.953 114.554 -0.044 0.000 2.814 331 T HA 0.464 4.814 4.350 -0.000 0.000 0.297 331 T C 0.433 175.110 174.700 -0.037 0.000 0.956 331 T CA 0.180 62.272 62.100 -0.014 0.000 1.123 331 T CB 1.218 70.098 68.868 0.019 0.000 0.902 331 T HN 1.137 nan 8.240 nan 0.000 0.528 332 V N 5.640 125.541 119.914 -0.022 0.000 2.304 332 V HA 0.257 4.377 4.120 -0.000 0.000 0.278 332 V C 0.295 176.407 176.094 0.029 0.000 1.018 332 V CA -0.635 61.660 62.300 -0.010 0.000 0.814 332 V CB 0.816 32.627 31.823 -0.021 0.000 1.021 332 V HN 0.937 nan 8.190 nan 0.000 0.440 333 M N 4.455 124.087 119.600 0.053 0.000 3.042 333 M HA 0.254 4.734 4.480 -0.000 0.000 0.283 333 M C 1.178 177.545 176.300 0.112 0.000 1.473 333 M CA 0.290 55.640 55.300 0.084 0.000 1.583 333 M CB -0.085 32.576 32.600 0.102 0.000 1.221 333 M HN 0.788 nan 8.290 nan 0.000 0.518 334 G N 0.674 109.531 108.800 0.095 0.000 2.546 334 G HA2 0.425 4.385 3.960 -0.000 0.000 0.239 334 G HA3 0.425 4.385 3.960 -0.000 0.000 0.239 334 G C 0.968 175.939 174.900 0.117 0.000 1.476 334 G CA 0.122 45.284 45.100 0.103 0.000 1.064 334 G HN 0.644 nan 8.290 nan 0.000 0.561 335 A N -1.487 121.406 122.820 0.121 0.000 1.978 335 A HA -0.016 4.304 4.320 -0.000 0.000 0.220 335 A C 2.533 180.194 177.584 0.128 0.000 1.170 335 A CA 2.064 54.181 52.037 0.134 0.000 0.636 335 A CB -0.707 18.415 19.000 0.204 0.000 0.810 335 A HN 0.440 nan 8.150 nan 0.000 0.448 336 V N 0.316 120.301 119.914 0.119 0.000 2.287 336 V HA -0.258 3.862 4.120 -0.000 0.000 0.248 336 V C 2.435 178.612 176.094 0.138 0.000 1.053 336 V CA 1.880 64.250 62.300 0.116 0.000 1.027 336 V CB -0.564 31.320 31.823 0.102 0.000 0.646 336 V HN 0.532 nan 8.190 nan 0.000 0.447 337 I N -0.677 119.992 120.570 0.165 0.000 2.202 337 I HA -0.204 3.966 4.170 -0.000 0.000 0.242 337 I C 2.416 178.738 176.117 0.341 0.000 1.091 337 I CA 1.834 63.290 61.300 0.259 0.000 1.368 337 I CB -0.825 37.305 38.000 0.217 0.000 1.058 337 I HN 0.316 nan 8.210 nan 0.000 0.410 338 M N -0.189 119.552 119.600 0.234 0.000 2.358 338 M HA -0.182 4.297 4.480 -0.000 0.000 0.264 338 M C 1.661 178.022 176.300 0.100 0.000 1.064 338 M CA 1.359 56.772 55.300 0.188 0.000 1.093 338 M CB -0.406 32.247 32.600 0.089 0.000 1.401 338 M HN 0.199 nan 8.290 nan 0.000 0.440 339 E N -0.346 119.888 120.200 0.058 0.000 2.482 339 E HA -0.026 4.324 4.350 -0.000 0.000 0.196 339 E C 1.751 178.301 176.600 -0.083 0.000 1.047 339 E CA 0.273 56.679 56.400 0.010 0.000 0.869 339 E CB 0.055 29.792 29.700 0.060 0.000 0.836 339 E HN 0.551 nan 8.360 nan 0.000 0.520 340 G N -0.149 108.476 108.800 -0.293 0.000 2.986 340 G HA2 0.127 4.087 3.960 -0.000 0.000 0.213 340 G HA3 0.127 4.087 3.960 -0.000 0.000 0.213 340 G C 0.081 174.297 174.900 -1.140 0.000 1.156 340 G CA -0.103 44.497 45.100 -0.834 0.000 0.763 340 G HN -0.005 nan 8.290 nan 0.000 0.547 341 F N -2.139 117.816 119.950 0.009 0.000 2.626 341 F HA 0.460 4.987 4.527 -0.000 0.000 0.311 341 F C -1.084 174.732 175.800 0.026 0.000 1.088 341 F CA -1.688 56.321 58.000 0.015 0.000 0.949 341 F CB 1.522 40.582 39.000 0.101 0.000 1.322 341 F HN -0.130 nan 8.300 nan 0.000 0.461 342 Y N 2.356 122.679 120.300 0.039 0.000 2.383 342 Y HA 0.600 5.150 4.550 -0.000 0.000 0.344 342 Y C -0.764 174.928 175.900 -0.346 0.000 0.986 342 Y CA -1.373 56.648 58.100 -0.131 0.000 1.175 342 Y CB 0.769 39.154 38.460 -0.125 0.000 1.152 342 Y HN 0.283 nan 8.280 nan 0.000 0.511 343 V N 7.492 127.002 119.914 -0.673 0.000 2.313 343 V HA 0.271 4.391 4.120 -0.000 0.000 0.278 343 V C -0.517 174.875 176.094 -1.170 0.000 1.017 343 V CA -1.052 60.616 62.300 -1.054 0.000 0.823 343 V CB 1.021 32.236 31.823 -1.014 0.000 1.010 343 V HN 0.513 nan 8.190 nan 0.000 0.443 344 V N 5.699 124.924 119.914 -1.149 0.000 2.353 344 V HA 0.324 4.444 4.120 -0.000 0.000 0.264 344 V C -0.057 175.519 176.094 -0.862 0.000 1.049 344 V CA -0.150 61.620 62.300 -0.883 0.000 0.896 344 V CB 0.451 31.895 31.823 -0.632 0.000 1.025 344 V HN 0.708 nan 8.190 nan 0.000 0.475 345 F N 2.902 122.340 119.950 -0.853 0.000 2.652 345 F HA 0.201 4.728 4.527 -0.000 0.000 0.352 345 F C 1.027 176.482 175.800 -0.576 0.000 1.259 345 F CA -0.371 57.069 58.000 -0.933 0.000 1.249 345 F CB 0.026 37.954 39.000 -1.785 0.000 1.628 345 F HN 0.434 nan 8.300 nan 0.000 0.654 346 D N 2.434 122.737 120.400 -0.162 0.000 2.545 346 D HA 0.046 4.686 4.640 -0.000 0.000 0.227 346 D C 1.521 177.880 176.300 0.098 0.000 1.150 346 D CA 0.225 54.217 54.000 -0.013 0.000 1.046 346 D CB 0.180 40.996 40.800 0.028 0.000 1.098 346 D HN 0.411 nan 8.370 nan 0.000 0.502 347 R N 1.605 122.202 120.500 0.161 0.000 2.081 347 R HA -0.119 4.221 4.340 -0.000 0.000 0.235 347 R C 2.108 178.557 176.300 0.248 0.000 1.131 347 R CA 1.485 57.773 56.100 0.313 0.000 0.960 347 R CB -0.041 30.481 30.300 0.371 0.000 0.856 347 R HN 0.382 nan 8.270 nan 0.000 0.436 348 A N 0.448 123.377 122.820 0.182 0.000 2.024 348 A HA -0.152 4.168 4.320 -0.000 0.000 0.220 348 A C 1.895 179.530 177.584 0.086 0.000 1.164 348 A CA 1.298 53.414 52.037 0.133 0.000 0.643 348 A CB -0.171 18.894 19.000 0.109 0.000 0.806 348 A HN 0.181 nan 8.150 nan 0.000 0.451 349 R N -1.499 119.039 120.500 0.064 0.000 2.577 349 R HA 0.204 4.544 4.340 -0.000 0.000 0.344 349 R C -0.133 176.193 176.300 0.043 0.000 1.037 349 R CA -0.080 56.031 56.100 0.017 0.000 1.102 349 R CB -0.083 30.180 30.300 -0.062 0.000 1.313 349 R HN 0.365 nan 8.270 nan 0.000 0.561 350 K N 1.588 122.051 120.400 0.105 0.000 3.311 350 K HA -0.240 4.080 4.320 -0.000 0.000 0.270 350 K C -1.241 175.443 176.600 0.141 0.000 0.927 350 K CA 1.129 57.499 56.287 0.137 0.000 0.706 350 K CB -0.626 31.927 32.500 0.087 0.000 1.418 350 K HN 0.471 nan 8.250 nan 0.000 0.459 351 R N -0.542 120.051 120.500 0.154 0.000 2.734 351 R HA 0.640 4.980 4.340 -0.000 0.000 0.271 351 R C -0.968 175.431 176.300 0.164 0.000 1.021 351 R CA -1.160 55.045 56.100 0.176 0.000 0.893 351 R CB 1.133 31.518 30.300 0.141 0.000 1.244 351 R HN 0.060 nan 8.270 nan 0.000 0.464 352 I N 1.246 121.912 120.570 0.160 0.000 2.439 352 I HA 0.402 4.572 4.170 -0.000 0.000 0.285 352 I C 0.103 176.142 176.117 -0.129 0.000 1.021 352 I CA -0.786 60.454 61.300 -0.100 0.000 1.091 352 I CB 2.236 40.119 38.000 -0.196 0.000 1.242 352 I HN 0.884 nan 8.210 nan 0.000 0.439 353 G N 5.198 113.698 108.800 -0.501 0.000 2.448 353 G HA2 0.638 4.598 3.960 -0.000 0.000 0.285 353 G HA3 0.638 4.598 3.960 -0.000 0.000 0.285 353 G C -1.231 173.146 174.900 -0.871 0.000 1.176 353 G CA -0.106 44.415 45.100 -0.965 0.000 0.852 353 G HN 0.358 nan 8.290 nan 0.000 0.530 354 F N 0.263 119.815 119.950 -0.664 0.000 2.561 354 F HA 0.664 5.191 4.527 -0.000 0.000 0.313 354 F C 0.329 175.891 175.800 -0.398 0.000 1.126 354 F CA -0.409 57.304 58.000 -0.479 0.000 0.918 354 F CB 2.648 41.411 39.000 -0.394 0.000 1.199 354 F HN 0.736 nan 8.300 nan 0.000 0.444 355 A N 1.886 124.655 122.820 -0.084 0.000 2.556 355 A HA 0.761 5.081 4.320 -0.000 0.000 0.294 355 A C -1.414 176.318 177.584 0.246 0.000 1.091 355 A CA -0.850 51.195 52.037 0.014 0.000 0.704 355 A CB 1.206 20.063 19.000 -0.239 0.000 1.300 355 A HN 0.433 nan 8.150 nan 0.000 0.406 356 V N 1.685 121.739 119.914 0.233 0.000 2.493 356 V HA 0.147 4.267 4.120 -0.000 0.000 0.292 356 V C 1.161 177.308 176.094 0.088 0.000 1.016 356 V CA 0.323 62.700 62.300 0.129 0.000 1.097 356 V CB 0.911 32.751 31.823 0.027 0.000 0.947 356 V HN 0.850 nan 8.190 nan 0.000 0.479 357 S N 3.989 119.669 115.700 -0.034 0.000 2.510 357 S HA 0.347 4.817 4.470 -0.000 0.000 0.279 357 S C 1.266 175.959 174.600 0.156 0.000 1.284 357 S CA -0.087 58.148 58.200 0.059 0.000 1.059 357 S CB 1.039 64.255 63.200 0.026 0.000 0.901 357 S HN 0.975 nan 8.310 nan 0.000 0.491 358 A N 3.296 126.170 122.820 0.091 0.000 2.168 358 A HA -0.020 4.300 4.320 -0.000 0.000 0.215 358 A C 1.885 179.515 177.584 0.077 0.000 1.152 358 A CA 1.130 53.212 52.037 0.076 0.000 0.716 358 A CB -0.842 18.151 19.000 -0.012 0.000 0.794 358 A HN 1.093 nan 8.150 nan 0.000 0.465 359 c N -1.251 117.396 118.600 0.078 0.000 3.183 359 c HA 0.309 4.879 4.570 -0.000 0.000 0.285 359 c C 1.046 175.153 174.090 0.028 0.000 1.313 359 c CA -0.098 56.251 56.329 0.032 0.000 1.711 359 c CB -1.635 40.885 42.510 0.017 0.000 2.135 359 c HN 0.693 nan 8.230 nan 0.000 0.651 360 H N 1.387 120.449 119.070 -0.013 0.000 2.852 360 H HA 0.391 4.947 4.556 -0.000 0.000 0.362 360 H C -0.709 174.632 175.328 0.021 0.000 1.122 360 H CA 0.390 56.418 56.048 -0.034 0.000 1.419 360 H CB 0.589 30.280 29.762 -0.117 0.000 1.401 360 H HN 0.191 nan 8.280 nan 0.000 0.609 361 V N 6.163 125.964 119.914 -0.189 0.000 2.461 361 V HA 0.203 4.323 4.120 -0.000 0.000 0.275 361 V C 0.492 176.399 176.094 -0.311 0.000 1.047 361 V CA -0.115 62.008 62.300 -0.296 0.000 0.955 361 V CB 0.344 32.032 31.823 -0.224 0.000 0.988 361 V HN 1.025 nan 8.190 nan 0.000 0.471 362 H N 1.955 120.738 119.070 -0.477 0.000 3.017 362 H HA 0.555 5.111 4.556 -0.000 0.000 0.346 362 H C -1.284 173.829 175.328 -0.358 0.000 1.286 362 H CA -1.121 54.686 56.048 -0.402 0.000 1.120 362 H CB 1.794 31.377 29.762 -0.297 0.000 1.860 362 H HN 0.665 nan 8.280 nan 0.000 0.542 363 D N -0.186 120.063 120.400 -0.253 0.000 2.466 363 D HA 0.077 4.717 4.640 -0.000 0.000 0.262 363 D C 1.051 177.262 176.300 -0.149 0.000 1.177 363 D CA -0.679 53.184 54.000 -0.229 0.000 1.035 363 D CB 1.309 42.036 40.800 -0.121 0.000 1.105 363 D HN 0.619 nan 8.370 nan 0.000 0.551 364 E N -0.885 119.123 120.200 -0.320 0.000 2.153 364 E HA -0.126 4.224 4.350 -0.000 0.000 0.194 364 E C 1.135 177.516 176.600 -0.365 0.000 0.988 364 E CA 1.339 57.480 56.400 -0.432 0.000 0.811 364 E CB -0.281 28.986 29.700 -0.721 0.000 0.746 364 E HN 0.604 nan 8.360 nan 0.000 0.466 365 F N -0.449 119.532 119.950 0.051 0.000 2.569 365 F HA 0.291 4.818 4.527 -0.000 0.000 0.295 365 F C 1.145 176.976 175.800 0.052 0.000 1.115 365 F CA 0.190 58.221 58.000 0.051 0.000 1.450 365 F CB 0.333 39.364 39.000 0.052 0.000 1.107 365 F HN -0.285 nan 8.300 nan 0.000 0.563 366 R N -0.517 120.095 120.500 0.187 0.000 2.795 366 R HA 0.586 4.925 4.340 -0.000 0.000 0.275 366 R C -1.114 175.229 176.300 0.071 0.000 0.981 366 R CA -0.550 55.626 56.100 0.126 0.000 0.917 366 R CB 2.321 32.700 30.300 0.131 0.000 1.202 366 R HN -0.147 nan 8.270 nan 0.000 0.469 367 T N 0.217 114.784 114.554 0.022 0.000 2.909 367 T HA 0.488 4.838 4.350 -0.000 0.000 0.299 367 T C -0.434 174.254 174.700 -0.020 0.000 1.073 367 T CA -0.828 61.241 62.100 -0.051 0.000 0.999 367 T CB 1.959 70.734 68.868 -0.154 0.000 1.098 367 T HN 0.692 nan 8.240 nan 0.000 0.477 368 A N 1.445 124.225 122.820 -0.066 0.000 2.466 368 A HA 0.686 5.006 4.320 -0.000 0.000 0.238 368 A C 0.378 177.886 177.584 -0.127 0.000 1.074 368 A CA -0.175 51.726 52.037 -0.226 0.000 0.774 368 A CB -0.294 18.286 19.000 -0.700 0.000 1.015 368 A HN 1.342 nan 8.150 nan 0.000 0.498 369 A N 0.860 123.717 122.820 0.061 0.000 2.475 369 A HA 0.651 4.971 4.320 -0.000 0.000 0.301 369 A C -1.119 176.566 177.584 0.168 0.000 1.059 369 A CA -0.432 51.661 52.037 0.093 0.000 0.710 369 A CB 1.665 20.691 19.000 0.042 0.000 1.288 369 A HN 1.306 nan 8.150 nan 0.000 0.408 370 V N 2.138 122.106 119.914 0.090 0.000 2.409 370 V HA 0.503 4.623 4.120 -0.000 0.000 0.290 370 V C -0.452 175.594 176.094 -0.081 0.000 1.017 370 V CA -0.238 62.054 62.300 -0.015 0.000 0.841 370 V CB 1.139 32.978 31.823 0.027 0.000 1.003 370 V HN 0.978 nan 8.190 nan 0.000 0.426 371 E N 2.328 122.412 120.200 -0.193 0.000 2.317 371 E HA 0.862 5.211 4.350 -0.000 0.000 0.270 371 E C -0.062 176.278 176.600 -0.434 0.000 0.885 371 E CA -0.622 55.650 56.400 -0.214 0.000 0.760 371 E CB 2.891 32.575 29.700 -0.026 0.000 1.227 371 E HN 0.876 nan 8.360 nan 0.000 0.434 372 G N 1.465 109.865 108.800 -0.667 0.000 2.349 372 G HA2 0.391 4.351 3.960 -0.000 0.000 0.294 372 G HA3 0.391 4.351 3.960 -0.000 0.000 0.294 372 G C -2.918 171.652 174.900 -0.549 0.000 1.380 372 G CA -0.774 43.737 45.100 -0.983 0.000 0.811 372 G HN 0.375 nan 8.290 nan 0.000 0.519 373 P HA 0.777 nan 4.420 nan 0.000 0.284 373 P C -1.461 175.487 177.300 -0.587 0.000 1.292 373 P CA -0.540 62.359 63.100 -0.336 0.000 0.800 373 P CB 1.036 32.795 31.700 0.099 0.000 1.188 374 F N -1.655 118.286 119.950 -0.014 0.000 2.561 374 F HA 0.240 4.767 4.527 0.000 0.000 0.313 374 F C -0.073 175.756 175.800 0.049 0.000 1.126 374 F CA -1.076 56.944 58.000 0.033 0.000 0.918 374 F CB 1.945 40.998 39.000 0.088 0.000 1.199 374 F HN -0.107 nan 8.300 nan 0.000 0.444 375 V N 2.680 122.715 119.914 0.202 0.000 2.479 375 V HA 0.315 4.435 4.120 -0.000 0.000 0.281 375 V C -0.164 176.000 176.094 0.118 0.000 1.031 375 V CA 0.275 62.654 62.300 0.131 0.000 1.038 375 V CB 0.559 32.434 31.823 0.087 0.000 0.981 375 V HN 0.820 nan 8.190 nan 0.000 0.478 376 T N 6.615 121.225 114.554 0.093 0.000 2.937 376 T HA 0.580 4.930 4.350 -0.000 0.000 0.297 376 T C -0.531 174.195 174.700 0.043 0.000 0.991 376 T CA -0.478 61.655 62.100 0.055 0.000 0.990 376 T CB 1.228 70.124 68.868 0.047 0.000 0.991 376 T HN 0.301 nan 8.240 nan 0.000 0.440 377 L N 2.621 123.860 121.223 0.027 0.000 2.343 377 L HA 0.474 4.814 4.340 -0.000 0.000 0.275 377 L C -0.078 176.804 176.870 0.019 0.000 1.056 377 L CA -0.666 54.189 54.840 0.025 0.000 0.804 377 L CB 0.656 42.727 42.059 0.020 0.000 1.203 377 L HN 0.700 nan 8.230 nan 0.000 0.440 378 D N 2.523 122.936 120.400 0.021 0.000 2.718 378 D HA -0.202 4.438 4.640 -0.000 0.000 0.242 378 D C 0.814 177.128 176.300 0.023 0.000 1.123 378 D CA 0.729 54.741 54.000 0.019 0.000 0.690 378 D CB -0.537 40.270 40.800 0.012 0.000 1.059 378 D HN 0.610 nan 8.370 nan 0.000 0.429 379 M N -0.586 119.032 119.600 0.030 0.000 2.349 379 M HA -0.096 4.384 4.480 -0.000 0.000 0.266 379 M C 1.965 178.289 176.300 0.040 0.000 1.076 379 M CA 1.033 56.354 55.300 0.034 0.000 1.126 379 M CB 0.015 32.638 32.600 0.038 0.000 1.392 379 M HN -0.077 nan 8.290 nan 0.000 0.440 380 E N 0.898 121.121 120.200 0.038 0.000 2.209 380 E HA -0.185 4.165 4.350 -0.000 0.000 0.196 380 E C 1.358 177.982 176.600 0.039 0.000 0.993 380 E CA 1.043 57.466 56.400 0.039 0.000 0.819 380 E CB -0.108 29.610 29.700 0.031 0.000 0.745 380 E HN 0.342 nan 8.360 nan 0.000 0.477 381 D N -1.034 119.386 120.400 0.034 0.000 2.219 381 D HA -0.114 4.526 4.640 -0.000 0.000 0.205 381 D C 1.477 177.808 176.300 0.051 0.000 0.970 381 D CA 0.669 54.689 54.000 0.033 0.000 0.851 381 D CB -0.215 40.598 40.800 0.021 0.000 0.943 381 D HN 0.293 nan 8.370 nan 0.000 0.488 382 c N 0.817 119.453 118.600 0.060 0.000 2.432 382 c HA 0.130 4.700 4.570 -0.000 0.000 0.282 382 c C 1.675 175.836 174.090 0.117 0.000 1.388 382 c CA -0.148 56.230 56.329 0.082 0.000 1.777 382 c CB -1.211 41.349 42.510 0.084 0.000 1.882 382 c HN 0.214 nan 8.230 nan 0.000 0.520 383 G N -1.096 107.771 108.800 0.110 0.000 2.441 383 G HA2 0.352 4.311 3.960 -0.000 0.000 0.243 383 G HA3 0.352 4.311 3.960 -0.000 0.000 0.243 383 G C -0.797 174.213 174.900 0.184 0.000 1.281 383 G CA 0.081 45.264 45.100 0.140 0.000 0.854 383 G HN 0.390 nan 8.290 nan 0.000 0.560 384 Y N 1.634 121.979 120.300 0.076 0.000 2.458 384 Y HA 0.480 5.030 4.550 -0.000 0.000 0.322 384 Y C 0.373 176.305 175.900 0.054 0.000 1.259 384 Y CA -0.944 57.202 58.100 0.077 0.000 1.302 384 Y CB 1.456 39.969 38.460 0.089 0.000 1.314 384 Y HN 0.523 nan 8.280 nan 0.000 0.509 445 G N -0.690 108.096 108.800 -0.022 0.000 2.512 445 G HA2 0.049 4.009 3.960 -0.000 0.000 0.193 445 G HA3 0.049 4.009 3.960 -0.000 0.000 0.193 445 G C 0.792 175.756 174.900 0.107 0.000 1.278 445 G CA 0.645 45.796 45.100 0.085 0.000 0.722 445 G HN 0.082 nan 8.290 nan 0.000 0.925 446 S N -0.490 115.132 115.700 -0.130 0.000 2.612 446 S HA 0.390 4.860 4.470 -0.000 0.000 0.193 446 S C 0.535 175.213 174.600 0.130 0.000 0.898 446 S CA 0.179 58.362 58.200 -0.029 0.000 0.872 446 S CB -0.273 62.873 63.200 -0.090 0.000 0.843 446 S HN 0.570 nan 8.310 nan 0.000 0.611 447 F N 1.072 121.063 119.950 0.069 0.000 2.985 447 F HA -0.154 4.373 4.527 -0.000 0.000 0.303 447 F C 0.352 176.192 175.800 0.067 0.000 0.976 447 F CA -0.041 58.006 58.000 0.077 0.000 1.013 447 F CB -2.442 36.620 39.000 0.104 0.000 1.060 447 F HN 0.133 nan 8.300 nan 0.000 0.780 448 V N 0.000 120.001 119.914 0.146 0.000 2.409 448 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 448 V CA 0.000 62.365 62.300 0.109 0.000 1.235 448 V CB 0.000 31.857 31.823 0.057 0.000 1.184 448 V HN 0.000 nan 8.190 nan 0.000 0.556