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 3h0b_1_C DATA FIRST_RESID 1 DATA SEQUENCE EMVDNLRGKS GQGYYVEMTV GSPPQTLNIL VDTGSSNFAV GAAPHPFLHR DATA SEQUENCE YYQRQLSSTY RDLRKGVYVP YTQGKWEGEL GTDLVSIPHG PNVTVRANIA DATA SEQUENCE AITESDKFFI NGSNWEGILG LAYAEIARPD DSLEPFFDSL VKQTHVPNLF DATA SEQUENCE SLQLcGAXXX XXXXXXXXSV GGSMIIGGID HSLYTGSLWY TPIRREWYYE DATA SEQUENCE VIIVRVEING QDLKMDcKEY NYDKSIVDSG TTNLRLPKKV FEAAVKSIKA DATA SEQUENCE ASSTEKFPDG FWLGEQLVcW QAGTTPWNIF PVISLYLMGE VTNQSFRITI DATA SEQUENCE LPQQYLRPVX XXXXSQDDcY KFAISQSSTG TVMGAVIMEG FYVVFDRARK DATA SEQUENCE RIGFAVSAcH VHDEFRTAAV EGPFVTLDME DcGYNXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXGSFV 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 0.000 176.703 176.600 0.172 0.000 1.382 1 E CA 0.000 56.489 56.400 0.149 0.000 0.976 1 E CB 0.000 29.787 29.700 0.145 0.000 0.812 2 M N 0.202 119.909 119.600 0.177 0.000 2.421 2 M HA 0.230 4.710 4.480 0.001 0.000 0.258 2 M C 0.015 176.377 176.300 0.104 0.000 1.122 2 M CA 0.086 55.479 55.300 0.154 0.000 1.078 2 M CB 1.236 33.933 32.600 0.162 0.000 1.380 2 M HN -0.212 nan 8.290 nan 0.000 0.499 3 V N 2.694 122.668 119.914 0.101 0.000 2.617 3 V HA -0.129 3.992 4.120 0.001 0.000 0.304 3 V C 0.495 176.594 176.094 0.008 0.000 1.040 3 V CA 1.147 63.481 62.300 0.057 0.000 1.149 3 V CB 0.223 32.077 31.823 0.052 0.000 0.914 3 V HN 0.623 nan 8.190 nan 0.000 0.487 4 D N 3.031 123.429 120.400 -0.003 0.000 3.017 4 D HA -0.182 4.458 4.640 0.001 0.000 0.220 4 D C 0.993 177.257 176.300 -0.060 0.000 1.141 4 D CA 1.088 55.069 54.000 -0.031 0.000 0.848 4 D CB -0.854 39.920 40.800 -0.044 0.000 1.102 4 D HN 0.868 nan 8.370 nan 0.000 0.427 5 N N -0.026 118.654 118.700 -0.033 0.000 2.467 5 N HA 0.002 4.742 4.740 0.001 0.000 0.184 5 N C 0.570 176.070 175.510 -0.015 0.000 1.106 5 N CA 0.361 53.393 53.050 -0.031 0.000 0.892 5 N CB -0.053 38.469 38.487 0.058 0.000 0.969 5 N HN 0.410 nan 8.380 nan 0.000 0.454 6 L N 0.336 121.542 121.223 -0.028 0.000 2.343 6 L HA 0.519 4.859 4.340 0.001 0.000 0.275 6 L C 0.520 177.324 176.870 -0.109 0.000 1.056 6 L CA -0.777 54.035 54.840 -0.048 0.000 0.804 6 L CB 1.232 43.297 42.059 0.009 0.000 1.203 6 L HN -0.020 nan 8.230 nan 0.000 0.440 7 R N 0.830 121.114 120.500 -0.359 0.000 2.869 7 R HA 0.872 5.213 4.340 0.001 0.000 0.263 7 R C -0.656 175.165 176.300 -0.798 0.000 1.066 7 R CA -0.876 54.936 56.100 -0.480 0.000 0.960 7 R CB 2.128 32.152 30.300 -0.461 0.000 1.221 7 R HN 0.829 nan 8.270 nan 0.000 0.474 8 G N 0.407 108.910 108.800 -0.495 0.000 2.338 8 G HA2 0.224 4.184 3.960 0.001 0.000 0.295 8 G HA3 0.224 4.184 3.960 0.001 0.000 0.295 8 G C -1.716 173.122 174.900 -0.102 0.000 1.461 8 G CA -0.782 44.141 45.100 -0.295 0.000 0.817 8 G HN 0.147 nan 8.290 nan 0.000 0.556 9 K N 0.854 121.261 120.400 0.012 0.000 2.183 9 K HA 0.516 4.837 4.320 0.001 0.000 0.274 9 K C 0.403 176.960 176.600 -0.072 0.000 1.009 9 K CA -0.529 55.752 56.287 -0.010 0.000 0.888 9 K CB 1.833 34.356 32.500 0.039 0.000 1.078 9 K HN 0.516 nan 8.250 nan 0.000 0.459 10 S N 0.962 116.617 115.700 -0.074 0.000 2.563 10 S HA 0.139 4.610 4.470 0.001 0.000 0.294 10 S C 1.246 175.828 174.600 -0.030 0.000 1.279 10 S CA 1.484 59.644 58.200 -0.066 0.000 1.069 10 S CB -0.365 62.819 63.200 -0.026 0.000 0.828 10 S HN 0.864 nan 8.310 nan 0.000 0.497 11 G N 3.969 112.756 108.800 -0.021 0.000 2.179 11 G HA2 -0.228 3.732 3.960 0.001 0.000 0.260 11 G HA3 -0.228 3.732 3.960 0.001 0.000 0.260 11 G C 0.330 175.254 174.900 0.039 0.000 0.977 11 G CA 0.608 45.717 45.100 0.015 0.000 0.641 11 G HN 0.745 nan 8.290 nan 0.000 0.533 12 Q N -0.318 119.510 119.800 0.046 0.000 2.118 12 Q HA 0.473 4.813 4.340 0.001 0.000 0.219 12 Q C 1.027 177.152 176.000 0.208 0.000 0.794 12 Q CA 0.154 56.055 55.803 0.163 0.000 1.035 12 Q CB 1.632 30.480 28.738 0.183 0.000 1.177 12 Q HN 1.705 nan 8.270 nan 0.000 0.478 13 G N 0.968 109.783 108.800 0.024 0.000 2.756 13 G HA2 -0.259 3.702 3.960 0.001 0.000 0.678 13 G HA3 -0.259 3.702 3.960 0.001 0.000 0.678 13 G C -1.266 173.547 174.900 -0.145 0.000 1.349 13 G CA -0.923 44.164 45.100 -0.023 0.000 0.847 13 G HN 0.170 nan 8.290 nan 0.000 0.548 14 Y N 0.147 120.418 120.300 -0.048 0.000 2.341 14 Y HA 0.643 5.194 4.550 0.001 0.000 0.337 14 Y C 0.600 176.441 175.900 -0.098 0.000 1.014 14 Y CA -0.323 57.712 58.100 -0.109 0.000 1.111 14 Y CB 1.720 40.116 38.460 -0.106 0.000 1.194 14 Y HN 0.770 nan 8.280 nan 0.000 0.462 15 Y N 0.631 120.979 120.300 0.081 0.000 2.446 15 Y HA 0.797 5.348 4.550 0.001 0.000 0.345 15 Y C -1.260 174.668 175.900 0.047 0.000 0.984 15 Y CA -1.750 56.363 58.100 0.022 0.000 1.058 15 Y CB 0.696 39.203 38.460 0.078 0.000 1.220 15 Y HN 0.437 nan 8.280 nan 0.000 0.455 16 V N 2.394 122.422 119.914 0.190 0.000 2.850 16 V HA 0.394 4.515 4.120 0.001 0.000 0.315 16 V C -0.607 175.597 176.094 0.183 0.000 1.064 16 V CA -0.922 61.457 62.300 0.132 0.000 0.979 16 V CB 1.786 33.623 31.823 0.022 0.000 1.039 16 V HN 0.982 nan 8.190 nan 0.000 0.452 17 E N 4.726 125.027 120.200 0.168 0.000 2.229 17 E HA 0.488 4.839 4.350 0.001 0.000 0.283 17 E C -0.805 175.827 176.600 0.053 0.000 1.030 17 E CA -0.324 56.158 56.400 0.137 0.000 0.836 17 E CB 0.857 30.660 29.700 0.171 0.000 1.068 17 E HN 0.659 nan 8.360 nan 0.000 0.401 18 M N 2.351 121.967 119.600 0.027 0.000 2.690 18 M HA 0.386 4.866 4.480 0.001 0.000 0.302 18 M C -0.417 175.886 176.300 0.005 0.000 1.234 18 M CA -1.057 54.232 55.300 -0.017 0.000 0.853 18 M CB 2.341 34.902 32.600 -0.064 0.000 1.748 18 M HN 0.526 nan 8.290 nan 0.000 0.469 19 T N -0.618 113.936 114.554 -0.001 0.000 2.876 19 T HA 0.822 5.173 4.350 0.001 0.000 0.289 19 T C -0.905 173.800 174.700 0.009 0.000 1.014 19 T CA -0.696 61.406 62.100 0.004 0.000 0.986 19 T CB 1.469 70.339 68.868 0.003 0.000 1.021 19 T HN 0.463 nan 8.240 nan 0.000 0.458 20 V N 1.794 121.689 119.914 -0.031 0.000 2.823 20 V HA 0.910 5.031 4.120 0.001 0.000 0.312 20 V C 1.065 177.161 176.094 0.003 0.000 1.072 20 V CA 0.133 62.385 62.300 -0.080 0.000 0.937 20 V CB 0.835 32.412 31.823 -0.411 0.000 1.013 20 V HN 1.674 nan 8.190 nan 0.000 0.430 21 G N 3.520 112.371 108.800 0.085 0.000 2.741 21 G HA2 -0.018 3.943 3.960 0.001 0.000 0.222 21 G HA3 -0.018 3.943 3.960 0.001 0.000 0.222 21 G C -0.378 174.594 174.900 0.121 0.000 1.364 21 G CA -0.213 44.992 45.100 0.176 0.000 0.866 21 G HN 1.372 nan 8.290 nan 0.000 0.555 22 S N 1.806 117.580 115.700 0.123 0.000 2.736 22 S HA 0.674 5.145 4.470 0.001 0.000 0.285 22 S C -2.438 172.208 174.600 0.077 0.000 1.163 22 S CA -0.510 57.741 58.200 0.084 0.000 1.025 22 S CB 2.899 66.143 63.200 0.074 0.000 1.030 22 S HN 0.838 nan 8.310 nan 0.000 0.486 23 P HA 0.255 nan 4.420 nan 0.000 0.271 23 P C -2.808 174.527 177.300 0.058 0.000 1.233 23 P CA -1.403 61.727 63.100 0.049 0.000 0.789 23 P CB -0.779 30.942 31.700 0.036 0.000 0.951 24 P HA 0.102 nan 4.420 nan 0.000 0.267 24 P C -0.483 176.839 177.300 0.037 0.000 1.205 24 P CA 0.414 63.537 63.100 0.040 0.000 0.765 24 P CB 0.486 32.200 31.700 0.022 0.000 0.828 25 Q N 1.466 121.291 119.800 0.042 0.000 2.340 25 Q HA 0.246 4.587 4.340 0.001 0.000 0.259 25 Q C -0.146 175.862 176.000 0.014 0.000 0.964 25 Q CA -0.351 55.475 55.803 0.038 0.000 0.900 25 Q CB 0.988 29.777 28.738 0.086 0.000 1.228 25 Q HN 0.390 nan 8.270 nan 0.000 0.449 26 T N 3.892 118.451 114.554 0.009 0.000 2.901 26 T HA 0.418 4.769 4.350 0.001 0.000 0.301 26 T C -0.218 174.487 174.700 0.009 0.000 1.012 26 T CA 0.040 62.145 62.100 0.008 0.000 1.135 26 T CB 0.219 69.091 68.868 0.008 0.000 0.936 26 T HN 0.368 nan 8.240 nan 0.000 0.539 27 L N 3.302 124.536 121.223 0.020 0.000 2.513 27 L HA 0.390 4.731 4.340 0.001 0.000 0.261 27 L C -0.666 176.233 176.870 0.049 0.000 0.945 27 L CA -1.172 53.684 54.840 0.027 0.000 0.848 27 L CB 2.105 44.180 42.059 0.027 0.000 1.334 27 L HN 0.435 nan 8.230 nan 0.000 0.407 28 N N 3.680 122.397 118.700 0.028 0.000 2.406 28 N HA 0.384 5.124 4.740 0.001 0.000 0.251 28 N C -0.795 174.784 175.510 0.114 0.000 1.069 28 N CA -0.253 52.819 53.050 0.037 0.000 0.947 28 N CB 1.156 39.486 38.487 -0.262 0.000 1.111 28 N HN 0.303 nan 8.380 nan 0.000 0.497 29 I N 2.725 123.382 120.570 0.145 0.000 2.354 29 I HA 0.247 4.417 4.170 0.001 0.000 0.292 29 I C 0.533 176.662 176.117 0.019 0.000 0.989 29 I CA -0.981 60.377 61.300 0.098 0.000 1.188 29 I CB 1.107 39.155 38.000 0.080 0.000 1.342 29 I HN 0.293 nan 8.210 nan 0.000 0.457 30 L N 7.423 128.520 121.223 -0.211 0.000 2.490 30 L HA 0.114 4.455 4.340 0.001 0.000 0.274 30 L C -0.185 176.532 176.870 -0.254 0.000 1.201 30 L CA 0.229 54.825 54.840 -0.406 0.000 0.869 30 L CB 0.710 42.126 42.059 -1.071 0.000 1.123 30 L HN 0.339 nan 8.230 nan 0.000 0.484 31 V N 4.815 124.627 119.914 -0.169 0.000 2.320 31 V HA 0.223 4.344 4.120 0.001 0.000 0.265 31 V C -0.384 175.612 176.094 -0.162 0.000 1.048 31 V CA -0.320 61.878 62.300 -0.170 0.000 0.865 31 V CB 0.757 32.499 31.823 -0.134 0.000 1.043 31 V HN 0.682 nan 8.190 nan 0.000 0.474 32 D N 3.518 123.810 120.400 -0.180 0.000 2.461 32 D HA 0.213 4.854 4.640 0.001 0.000 0.240 32 D C 1.186 177.430 176.300 -0.094 0.000 1.094 32 D CA -0.268 53.658 54.000 -0.123 0.000 0.868 32 D CB 1.866 42.589 40.800 -0.129 0.000 1.062 32 D HN 0.581 nan 8.370 nan 0.000 0.530 33 T N -0.172 114.349 114.554 -0.056 0.000 3.148 33 T HA 0.161 4.512 4.350 0.001 0.000 0.253 33 T C 1.419 176.231 174.700 0.187 0.000 1.134 33 T CA 0.215 62.341 62.100 0.043 0.000 1.051 33 T CB 0.236 69.054 68.868 -0.084 0.000 0.959 33 T HN 0.279 nan 8.240 nan 0.000 0.525 34 G N 0.782 109.653 108.800 0.120 0.000 3.126 34 G HA2 0.426 4.386 3.960 0.001 0.000 0.224 34 G HA3 0.426 4.386 3.960 0.001 0.000 0.224 34 G C 0.359 175.343 174.900 0.140 0.000 1.142 34 G CA 0.159 45.372 45.100 0.188 0.000 0.759 34 G HN 0.751 nan 8.290 nan 0.000 0.550 35 S N -1.732 113.990 115.700 0.037 0.000 2.720 35 S HA 0.671 5.142 4.470 0.001 0.000 0.287 35 S C -0.000 174.581 174.600 -0.032 0.000 1.168 35 S CA -0.184 58.017 58.200 0.001 0.000 0.832 35 S CB 1.882 65.099 63.200 0.029 0.000 1.166 35 S HN -0.065 nan 8.310 nan 0.000 0.493 36 S N 0.135 115.831 115.700 -0.007 0.000 2.847 36 S HA 0.372 4.843 4.470 0.001 0.000 0.254 36 S C -0.496 174.148 174.600 0.072 0.000 1.039 36 S CA -0.454 57.749 58.200 0.005 0.000 1.113 36 S CB -0.320 62.874 63.200 -0.010 0.000 1.092 36 S HN 0.687 nan 8.310 nan 0.000 0.620 37 N N 1.245 120.001 118.700 0.094 0.000 2.473 37 N HA 0.438 5.179 4.740 0.001 0.000 0.291 37 N C -1.246 174.372 175.510 0.180 0.000 1.083 37 N CA -0.384 52.755 53.050 0.148 0.000 0.951 37 N CB 0.840 39.434 38.487 0.178 0.000 1.164 37 N HN 0.278 nan 8.380 nan 0.000 0.480 38 F N 1.895 121.858 119.950 0.022 0.000 2.334 38 F HA 0.605 5.132 4.527 0.001 0.000 0.365 38 F C -0.492 175.283 175.800 -0.041 0.000 1.124 38 F CA -0.769 57.211 58.000 -0.034 0.000 1.166 38 F CB 0.169 39.174 39.000 0.008 0.000 1.355 38 F HN 0.425 nan 8.300 nan 0.000 0.532 39 A N 6.127 128.826 122.820 -0.202 0.000 2.343 39 A HA 0.733 5.054 4.320 0.001 0.000 0.316 39 A C -1.293 176.083 177.584 -0.347 0.000 1.104 39 A CA -0.543 51.264 52.037 -0.383 0.000 0.768 39 A CB 1.571 20.192 19.000 -0.632 0.000 1.213 39 A HN 0.840 nan 8.150 nan 0.000 0.456 40 V N 0.163 119.907 119.914 -0.283 0.000 2.841 40 V HA 0.911 5.031 4.120 0.001 0.000 0.310 40 V C 0.251 176.392 176.094 0.079 0.000 1.090 40 V CA -0.139 62.110 62.300 -0.085 0.000 0.930 40 V CB 1.359 33.066 31.823 -0.194 0.000 1.014 40 V HN 1.573 nan 8.190 nan 0.000 0.425 41 G N 1.996 110.920 108.800 0.207 0.000 2.313 41 G HA2 0.528 4.489 3.960 0.001 0.000 0.250 41 G HA3 0.528 4.489 3.960 0.001 0.000 0.250 41 G C 0.567 175.533 174.900 0.110 0.000 1.281 41 G CA 0.317 45.527 45.100 0.182 0.000 0.917 41 G HN 1.681 nan 8.290 nan 0.000 0.501 42 A N 3.056 125.885 122.820 0.016 0.000 2.050 42 A HA 0.762 5.083 4.320 0.001 0.000 0.214 42 A C 1.722 178.981 177.584 -0.541 0.000 1.577 42 A CA 1.005 52.969 52.037 -0.121 0.000 0.752 42 A CB -0.605 18.320 19.000 -0.124 0.000 1.220 42 A HN 1.528 nan 8.150 nan 0.000 0.543 43 A N 1.228 123.808 122.820 -0.400 0.000 2.462 43 A HA 0.534 4.855 4.320 0.001 0.000 0.243 43 A C -2.269 174.992 177.584 -0.538 0.000 1.076 43 A CA -1.070 50.667 52.037 -0.500 0.000 0.773 43 A CB -0.760 18.111 19.000 -0.215 0.000 1.010 43 A HN 0.298 nan 8.150 nan 0.000 0.493 44 P HA 0.005 nan 4.420 nan 0.000 0.269 44 P C -0.288 176.990 177.300 -0.037 0.000 1.200 44 P CA 0.862 63.854 63.100 -0.180 0.000 0.779 44 P CB 0.210 31.894 31.700 -0.026 0.000 0.841 45 H N 1.139 120.144 119.070 -0.109 0.000 3.094 45 H HA 0.207 4.763 4.556 0.001 0.000 0.346 45 H C -2.471 172.728 175.328 -0.215 0.000 1.238 45 H CA -1.576 54.379 56.048 -0.155 0.000 1.209 45 H CB 1.730 31.405 29.762 -0.144 0.000 1.911 45 H HN 0.136 nan 8.280 nan 0.000 0.540 46 P HA 0.162 nan 4.420 nan 0.000 0.252 46 P C 0.291 177.471 177.300 -0.200 0.000 1.265 46 P CA 0.798 63.691 63.100 -0.345 0.000 0.775 46 P CB -0.339 31.004 31.700 -0.595 0.000 1.128 47 F N -1.819 118.262 119.950 0.219 0.000 2.817 47 F HA 0.241 4.768 4.527 0.001 0.000 0.333 47 F C 0.705 176.216 175.800 -0.481 0.000 1.085 47 F CA -0.536 57.382 58.000 -0.137 0.000 1.170 47 F CB 0.707 39.649 39.000 -0.096 0.000 1.066 47 F HN -0.290 nan 8.300 nan 0.000 0.564 48 L N 0.972 122.039 121.223 -0.259 0.000 2.257 48 L HA 0.281 4.621 4.340 0.001 0.000 0.290 48 L C 0.583 177.276 176.870 -0.295 0.000 1.044 48 L CA -0.528 54.092 54.840 -0.366 0.000 0.810 48 L CB 0.820 42.702 42.059 -0.295 0.000 1.193 48 L HN 0.156 nan 8.230 nan 0.000 0.425 49 H N 1.361 120.376 119.070 -0.091 0.000 2.495 49 H HA 0.181 4.737 4.556 0.001 0.000 0.287 49 H C 0.334 175.599 175.328 -0.105 0.000 1.033 49 H CA 0.562 56.565 56.048 -0.076 0.000 1.307 49 H CB 0.109 29.823 29.762 -0.081 0.000 1.401 49 H HN 0.472 nan 8.280 nan 0.000 0.555 50 R N -0.800 119.698 120.500 -0.003 0.000 2.781 50 R HA 0.394 4.734 4.340 0.001 0.000 0.268 50 R C -1.709 174.556 176.300 -0.059 0.000 1.047 50 R CA -1.082 54.942 56.100 -0.127 0.000 0.925 50 R CB 2.199 32.443 30.300 -0.093 0.000 1.246 50 R HN 0.167 nan 8.270 nan 0.000 0.456 51 Y N -2.107 118.183 120.300 -0.017 0.000 2.741 51 Y HA 0.398 4.948 4.550 0.001 0.000 0.339 51 Y C -1.836 174.112 175.900 0.080 0.000 1.226 51 Y CA -1.512 56.585 58.100 -0.004 0.000 1.072 51 Y CB 0.174 38.607 38.460 -0.045 0.000 1.331 51 Y HN 0.498 nan 8.280 nan 0.000 0.453 52 Y N 2.854 123.317 120.300 0.271 0.000 2.402 52 Y HA 0.456 5.006 4.550 0.001 0.000 0.333 52 Y C -0.618 175.387 175.900 0.175 0.000 1.076 52 Y CA -0.966 57.216 58.100 0.136 0.000 1.299 52 Y CB 1.027 39.500 38.460 0.021 0.000 1.197 52 Y HN 0.699 nan 8.280 nan 0.000 0.517 53 Q N 7.009 126.841 119.800 0.052 0.000 2.523 53 Q HA 0.310 4.650 4.340 0.001 0.000 0.251 53 Q C 0.817 176.550 176.000 -0.446 0.000 1.033 53 Q CA -0.473 55.238 55.803 -0.154 0.000 0.746 53 Q CB 1.246 30.016 28.738 0.054 0.000 1.189 53 Q HN 0.780 nan 8.270 nan 0.000 0.508 54 R N 1.134 121.118 120.500 -0.861 0.000 2.105 54 R HA -0.205 4.136 4.340 0.001 0.000 0.239 54 R C 2.111 178.137 176.300 -0.456 0.000 1.135 54 R CA 1.573 57.097 56.100 -0.960 0.000 0.967 54 R CB 0.029 29.399 30.300 -1.549 0.000 0.861 54 R HN 0.594 nan 8.270 nan 0.000 0.442 55 Q N 1.161 120.773 119.800 -0.314 0.000 2.364 55 Q HA -0.154 4.186 4.340 0.001 0.000 0.209 55 Q C 1.393 177.358 176.000 -0.059 0.000 0.977 55 Q CA 1.475 57.195 55.803 -0.138 0.000 0.885 55 Q CB -0.062 28.616 28.738 -0.101 0.000 0.941 55 Q HN 0.455 nan 8.270 nan 0.000 0.464 56 L N 0.684 121.873 121.223 -0.057 0.000 2.640 56 L HA 0.259 4.600 4.340 0.001 0.000 0.230 56 L C 0.756 177.654 176.870 0.046 0.000 1.123 56 L CA -0.206 54.636 54.840 0.003 0.000 0.900 56 L CB 0.540 42.606 42.059 0.012 0.000 1.146 56 L HN -0.015 nan 8.230 nan 0.000 0.484 57 S N -0.364 115.374 115.700 0.063 0.000 2.498 57 S HA 0.168 4.638 4.470 0.001 0.000 0.324 57 S C 1.240 175.927 174.600 0.145 0.000 1.071 57 S CA -0.518 57.764 58.200 0.136 0.000 1.113 57 S CB 1.159 64.503 63.200 0.239 0.000 0.976 57 S HN 0.317 nan 8.310 nan 0.000 0.462 58 S N 3.045 118.811 115.700 0.110 0.000 2.500 58 S HA -0.100 4.370 4.470 0.001 0.000 0.239 58 S C 1.340 176.005 174.600 0.107 0.000 0.989 58 S CA 1.249 59.506 58.200 0.094 0.000 0.951 58 S CB -0.712 62.527 63.200 0.066 0.000 0.759 58 S HN 0.854 nan 8.310 nan 0.000 0.523 59 T N -2.708 111.929 114.554 0.137 0.000 3.054 59 T HA 0.262 4.613 4.350 0.001 0.000 0.255 59 T C 0.126 174.924 174.700 0.164 0.000 1.035 59 T CA -0.685 61.489 62.100 0.124 0.000 0.941 59 T CB -0.583 68.349 68.868 0.107 0.000 1.026 59 T HN 0.416 nan 8.240 nan 0.000 0.533 60 Y N 3.041 123.397 120.300 0.093 0.000 2.397 60 Y HA 0.473 5.024 4.550 0.001 0.000 0.335 60 Y C 0.088 176.029 175.900 0.068 0.000 1.213 60 Y CA -0.912 57.250 58.100 0.104 0.000 1.391 60 Y CB 0.524 39.035 38.460 0.084 0.000 1.293 60 Y HN 0.048 nan 8.280 nan 0.000 0.557 61 R N 4.398 124.370 120.500 -0.881 0.000 2.515 61 R HA 0.150 4.491 4.340 0.001 0.000 0.291 61 R C -1.775 173.981 176.300 -0.908 0.000 1.046 61 R CA -1.010 54.671 56.100 -0.698 0.000 0.914 61 R CB 1.313 31.448 30.300 -0.274 0.000 1.191 61 R HN 0.638 nan 8.270 nan 0.000 0.435 62 D N 3.312 123.327 120.400 -0.642 0.000 2.317 62 D HA 0.077 4.717 4.640 0.001 0.000 0.252 62 D C 0.756 176.987 176.300 -0.115 0.000 1.174 62 D CA -0.097 53.742 54.000 -0.270 0.000 0.866 62 D CB 1.222 42.023 40.800 0.001 0.000 1.127 62 D HN 0.494 nan 8.370 nan 0.000 0.467 63 L N 3.846 125.041 121.223 -0.047 0.000 2.599 63 L HA 0.117 4.458 4.340 0.001 0.000 0.230 63 L C 1.247 178.125 176.870 0.012 0.000 1.141 63 L CA -0.016 54.818 54.840 -0.010 0.000 0.877 63 L CB -0.179 41.892 42.059 0.019 0.000 1.009 63 L HN 0.417 nan 8.230 nan 0.000 0.447 64 R N 0.126 120.640 120.500 0.023 0.000 3.484 64 R HA -0.184 4.156 4.340 0.001 0.000 0.260 64 R C -0.331 175.987 176.300 0.031 0.000 1.053 64 R CA 0.684 56.803 56.100 0.030 0.000 0.703 64 R CB -1.308 29.003 30.300 0.018 0.000 1.089 64 R HN 0.177 nan 8.270 nan 0.000 0.459 65 K N -0.245 120.181 120.400 0.042 0.000 2.395 65 K HA 0.607 4.928 4.320 0.001 0.000 0.247 65 K C 0.352 176.984 176.600 0.052 0.000 0.973 65 K CA -0.424 55.888 56.287 0.040 0.000 0.828 65 K CB 2.155 34.679 32.500 0.040 0.000 1.272 65 K HN 0.177 nan 8.250 nan 0.000 0.439 66 G N -0.478 108.347 108.800 0.041 0.000 2.473 66 G HA2 0.616 4.577 3.960 0.001 0.000 0.321 66 G HA3 0.616 4.577 3.960 0.001 0.000 0.321 66 G C -1.453 173.469 174.900 0.036 0.000 1.200 66 G CA -0.517 44.610 45.100 0.045 0.000 0.963 66 G HN 0.258 nan 8.290 nan 0.000 0.483 67 V N 1.190 121.121 119.914 0.029 0.000 2.668 67 V HA 0.643 4.764 4.120 0.001 0.000 0.304 67 V C -2.003 173.992 176.094 -0.165 0.000 1.071 67 V CA -0.907 61.364 62.300 -0.048 0.000 0.894 67 V CB 1.629 33.437 31.823 -0.025 0.000 1.008 67 V HN 0.774 nan 8.190 nan 0.000 0.425 68 Y N 5.931 126.030 120.300 -0.334 0.000 2.328 68 Y HA 0.733 5.283 4.550 0.001 0.000 0.333 68 Y C -0.843 174.736 175.900 -0.535 0.000 0.958 68 Y CA -0.665 57.191 58.100 -0.408 0.000 1.167 68 Y CB 1.940 40.267 38.460 -0.222 0.000 1.151 68 Y HN 0.420 nan 8.280 nan 0.000 0.470 69 V N 9.107 128.253 119.914 -1.280 0.000 2.326 69 V HA 0.379 4.499 4.120 0.001 0.000 0.281 69 V C -2.436 173.114 176.094 -0.908 0.000 1.015 69 V CA -2.071 59.575 62.300 -1.091 0.000 0.823 69 V CB 1.120 32.079 31.823 -1.440 0.000 1.009 69 V HN 0.688 nan 8.190 nan 0.000 0.436 70 P HA 0.161 nan 4.420 nan 0.000 0.276 70 P C -1.141 176.146 177.300 -0.022 0.000 1.243 70 P CA -0.032 62.888 63.100 -0.299 0.000 0.768 70 P CB 0.197 31.822 31.700 -0.125 0.000 0.856 71 Y N 4.832 125.086 120.300 -0.076 0.000 2.686 71 Y HA 0.274 4.825 4.550 0.001 0.000 0.331 71 Y C 1.340 177.286 175.900 0.076 0.000 0.996 71 Y CA 0.337 58.476 58.100 0.065 0.000 1.293 71 Y CB -0.041 38.558 38.460 0.231 0.000 1.092 71 Y HN 0.748 nan 8.280 nan 0.000 0.524 72 T N 0.948 115.410 114.554 -0.154 0.000 13.199 72 T HA -0.485 3.865 4.350 0.001 0.000 0.419 72 T C 1.241 175.866 174.700 -0.125 0.000 1.441 72 T CA 2.608 64.581 62.100 -0.211 0.000 2.362 72 T CB -1.212 67.406 68.868 -0.417 0.000 2.811 72 T HN 0.632 nan 8.240 nan 0.000 0.634 73 Q N 2.110 121.822 119.800 -0.146 0.000 2.391 73 Q HA 0.443 4.784 4.340 0.001 0.000 0.243 73 Q C 1.571 177.581 176.000 0.017 0.000 0.874 73 Q CA 0.575 56.349 55.803 -0.047 0.000 0.950 73 Q CB 0.330 29.042 28.738 -0.044 0.000 1.103 73 Q HN 0.959 nan 8.270 nan 0.000 0.544 74 G N 0.951 109.783 108.800 0.052 0.000 2.695 74 G HA2 0.530 4.490 3.960 0.001 0.000 0.213 74 G HA3 0.530 4.490 3.960 0.001 0.000 0.213 74 G C -1.124 173.860 174.900 0.141 0.000 1.406 74 G CA -0.159 45.035 45.100 0.156 0.000 1.049 74 G HN 0.262 nan 8.290 nan 0.000 0.573 75 K N -1.739 118.756 120.400 0.158 0.000 2.774 75 K HA 0.267 4.588 4.320 0.001 0.000 0.283 75 K C -1.697 174.837 176.600 -0.111 0.000 1.050 75 K CA -1.019 55.224 56.287 -0.074 0.000 0.872 75 K CB 0.671 33.017 32.500 -0.257 0.000 1.434 75 K HN 0.895 nan 8.250 nan 0.000 0.372 76 W N 1.346 122.358 121.300 -0.480 0.000 2.936 76 W HA 0.685 5.346 4.660 0.001 0.000 0.338 76 W C -1.507 174.801 176.519 -0.352 0.000 1.121 76 W CA -0.594 56.444 57.345 -0.512 0.000 1.209 76 W CB 1.274 30.116 29.460 -1.031 0.000 1.420 76 W HN 0.738 nan 8.180 nan 0.000 0.516 77 E N 1.308 121.538 120.200 0.049 0.000 2.266 77 E HA 0.704 5.055 4.350 0.001 0.000 0.268 77 E C -0.376 176.372 176.600 0.246 0.000 0.879 77 E CA -0.805 55.614 56.400 0.031 0.000 0.762 77 E CB 2.670 32.452 29.700 0.135 0.000 1.199 77 E HN 0.689 nan 8.360 nan 0.000 0.422 78 G N 1.126 110.058 108.800 0.220 0.000 2.692 78 G HA2 0.386 4.347 3.960 0.001 0.000 0.291 78 G HA3 0.386 4.347 3.960 0.001 0.000 0.291 78 G C -1.534 173.473 174.900 0.177 0.000 1.423 78 G CA -0.661 44.602 45.100 0.271 0.000 0.843 78 G HN 0.380 nan 8.290 nan 0.000 0.486 79 E N 0.471 120.761 120.200 0.150 0.000 2.174 79 E HA 0.530 4.880 4.350 0.001 0.000 0.282 79 E C 0.092 176.790 176.600 0.164 0.000 0.992 79 E CA -0.550 55.929 56.400 0.131 0.000 0.803 79 E CB 0.922 30.688 29.700 0.109 0.000 1.090 79 E HN 0.389 nan 8.360 nan 0.000 0.396 80 L N 3.173 124.483 121.223 0.145 0.000 2.466 80 L HA 0.737 5.078 4.340 0.001 0.000 0.257 80 L C 0.828 177.788 176.870 0.150 0.000 1.189 80 L CA 0.197 55.125 54.840 0.146 0.000 0.813 80 L CB 0.802 42.927 42.059 0.110 0.000 1.118 80 L HN 0.792 nan 8.230 nan 0.000 0.471 81 G N -0.434 108.448 108.800 0.136 0.000 2.347 81 G HA2 0.355 4.315 3.960 0.001 0.000 0.303 81 G HA3 0.355 4.315 3.960 0.001 0.000 0.303 81 G C -0.972 173.988 174.900 0.100 0.000 1.481 81 G CA -0.183 44.955 45.100 0.063 0.000 0.914 81 G HN 0.720 nan 8.290 nan 0.000 0.638 82 T N -1.749 112.807 114.554 0.002 0.000 2.922 82 T HA 0.866 5.217 4.350 0.001 0.000 0.281 82 T C -0.670 174.108 174.700 0.130 0.000 1.005 82 T CA -0.115 62.034 62.100 0.082 0.000 0.982 82 T CB 2.746 71.639 68.868 0.042 0.000 1.158 82 T HN 0.959 nan 8.240 nan 0.000 0.566 83 D N -1.306 119.193 120.400 0.166 0.000 2.804 83 D HA 0.225 4.865 4.640 0.001 0.000 0.309 83 D C -1.354 175.040 176.300 0.157 0.000 1.311 83 D CA -0.641 53.478 54.000 0.197 0.000 0.765 83 D CB 0.996 41.996 40.800 0.333 0.000 1.293 83 D HN 0.672 nan 8.370 nan 0.000 0.434 84 L N 1.025 122.331 121.223 0.137 0.000 2.349 84 L HA 0.587 4.928 4.340 0.001 0.000 0.275 84 L C -0.116 176.827 176.870 0.122 0.000 1.115 84 L CA -0.582 54.323 54.840 0.107 0.000 0.820 84 L CB 1.256 43.362 42.059 0.079 0.000 1.135 84 L HN 0.125 nan 8.230 nan 0.000 0.445 85 V N 1.996 121.992 119.914 0.136 0.000 2.841 85 V HA 0.614 4.734 4.120 0.001 0.000 0.310 85 V C -0.273 175.891 176.094 0.116 0.000 1.090 85 V CA -0.396 61.994 62.300 0.150 0.000 0.930 85 V CB 2.360 34.338 31.823 0.258 0.000 1.014 85 V HN 0.953 nan 8.190 nan 0.000 0.425 86 S N 3.997 119.733 115.700 0.060 0.000 2.685 86 S HA 0.813 5.284 4.470 0.001 0.000 0.282 86 S C -1.240 173.357 174.600 -0.005 0.000 1.159 86 S CA -0.784 57.438 58.200 0.038 0.000 0.833 86 S CB 2.112 65.323 63.200 0.018 0.000 1.151 86 S HN 0.505 nan 8.310 nan 0.000 0.485 87 I N 1.630 122.197 120.570 -0.005 0.000 2.493 87 I HA 0.345 4.515 4.170 0.001 0.000 0.279 87 I C -2.153 173.940 176.117 -0.040 0.000 1.045 87 I CA -2.251 59.036 61.300 -0.022 0.000 1.106 87 I CB 2.155 40.150 38.000 -0.007 0.000 1.216 87 I HN 0.445 nan 8.210 nan 0.000 0.459 88 P HA -0.195 nan 4.420 nan 0.000 0.216 88 P C 0.456 177.564 177.300 -0.321 0.000 1.157 88 P CA 1.625 64.579 63.100 -0.244 0.000 0.880 88 P CB 0.036 31.521 31.700 -0.358 0.000 0.791 89 H N -1.041 118.049 119.070 0.033 0.000 2.452 89 H HA 0.552 5.109 4.556 0.001 0.000 0.240 89 H C 0.975 176.332 175.328 0.048 0.000 1.498 89 H CA 0.064 56.137 56.048 0.042 0.000 1.142 89 H CB -0.145 29.641 29.762 0.040 0.000 1.599 89 H HN 0.130 nan 8.280 nan 0.000 0.527 90 G N 0.906 109.772 108.800 0.110 0.000 2.976 90 G HA2 0.336 4.297 3.960 0.001 0.000 0.276 90 G HA3 0.336 4.297 3.960 0.001 0.000 0.276 90 G C -2.716 172.242 174.900 0.096 0.000 1.207 90 G CA -1.123 44.038 45.100 0.102 0.000 0.803 90 G HN -0.008 nan 8.290 nan 0.000 0.572 91 P HA 0.186 nan 4.420 nan 0.000 0.271 91 P C -0.551 176.781 177.300 0.052 0.000 1.233 91 P CA -0.237 62.913 63.100 0.084 0.000 0.789 91 P CB 0.640 32.376 31.700 0.060 0.000 0.951 92 N N 0.047 118.776 118.700 0.049 0.000 3.259 92 N HA 0.248 4.989 4.740 0.001 0.000 0.308 92 N C -0.461 175.056 175.510 0.011 0.000 1.334 92 N CA -0.385 52.682 53.050 0.028 0.000 1.202 92 N CB -0.484 38.021 38.487 0.030 0.000 1.485 92 N HN 0.183 nan 8.380 nan 0.000 0.549 93 V N -2.437 117.478 119.914 0.002 0.000 3.074 93 V HA 0.718 4.838 4.120 0.001 0.000 0.314 93 V C -0.022 176.064 176.094 -0.013 0.000 1.117 93 V CA -0.716 61.573 62.300 -0.019 0.000 1.014 93 V CB 1.940 33.733 31.823 -0.050 0.000 1.057 93 V HN -0.031 nan 8.190 nan 0.000 0.438 94 T N 2.282 116.823 114.554 -0.021 0.000 2.881 94 T HA 0.752 5.103 4.350 0.001 0.000 0.290 94 T C -0.486 174.199 174.700 -0.025 0.000 1.000 94 T CA -0.366 61.732 62.100 -0.004 0.000 0.978 94 T CB 1.421 70.292 68.868 0.004 0.000 0.997 94 T HN 1.509 nan 8.240 nan 0.000 0.443 95 V N 1.040 120.945 119.914 -0.014 0.000 3.040 95 V HA 0.749 4.870 4.120 0.001 0.000 0.312 95 V C -0.535 175.559 176.094 0.001 0.000 1.115 95 V CA -1.585 60.682 62.300 -0.055 0.000 0.998 95 V CB 2.081 33.799 31.823 -0.176 0.000 1.042 95 V HN 0.848 nan 8.190 nan 0.000 0.433 96 R N 1.926 122.417 120.500 -0.014 0.000 2.221 96 R HA 0.797 5.137 4.340 0.001 0.000 0.327 96 R C -0.346 175.972 176.300 0.030 0.000 1.033 96 R CA 0.388 56.506 56.100 0.029 0.000 0.887 96 R CB 0.852 31.161 30.300 0.015 0.000 1.057 96 R HN 1.312 nan 8.270 nan 0.000 0.455 97 A N 4.216 127.108 122.820 0.120 0.000 2.498 97 A HA 0.419 4.739 4.320 0.001 0.000 0.298 97 A C -1.100 176.626 177.584 0.236 0.000 1.075 97 A CA -1.134 51.003 52.037 0.167 0.000 0.714 97 A CB 1.265 20.435 19.000 0.283 0.000 1.299 97 A HN 0.802 nan 8.150 nan 0.000 0.407 98 N N 0.140 118.968 118.700 0.213 0.000 2.374 98 N HA 0.316 5.056 4.740 0.001 0.000 0.241 98 N C -0.710 174.956 175.510 0.261 0.000 1.262 98 N CA 0.669 53.840 53.050 0.201 0.000 0.880 98 N CB 0.300 38.886 38.487 0.165 0.000 1.105 98 N HN 0.538 nan 8.380 nan 0.000 0.438 99 I N 0.247 120.920 120.570 0.171 0.000 2.563 99 I HA 0.202 4.373 4.170 0.001 0.000 0.285 99 I C -0.602 175.563 176.117 0.081 0.000 1.123 99 I CA -0.858 60.468 61.300 0.043 0.000 1.059 99 I CB 1.763 39.782 38.000 0.031 0.000 1.229 99 I HN 0.422 nan 8.210 nan 0.000 0.442 100 A N 5.313 128.150 122.820 0.029 0.000 2.539 100 A HA 0.654 4.974 4.320 0.001 0.000 0.306 100 A C 0.678 178.303 177.584 0.067 0.000 1.392 100 A CA -0.266 51.842 52.037 0.118 0.000 1.060 100 A CB -0.020 19.110 19.000 0.217 0.000 1.134 100 A HN 0.799 nan 8.150 nan 0.000 0.542 101 A N 4.081 126.985 122.820 0.140 0.000 2.475 101 A HA 0.454 4.775 4.320 0.001 0.000 0.293 101 A C 0.246 177.905 177.584 0.125 0.000 1.252 101 A CA -0.214 51.898 52.037 0.125 0.000 0.920 101 A CB -0.634 18.415 19.000 0.083 0.000 1.125 101 A HN 0.760 nan 8.150 nan 0.000 0.528 102 I N 3.497 124.130 120.570 0.103 0.000 2.505 102 I HA 0.045 4.215 4.170 0.001 0.000 0.287 102 I C 1.517 177.722 176.117 0.147 0.000 1.104 102 I CA 0.440 61.842 61.300 0.169 0.000 1.387 102 I CB 0.748 38.816 38.000 0.114 0.000 1.404 102 I HN 0.794 nan 8.210 nan 0.000 0.528 103 T N 0.864 115.502 114.554 0.140 0.000 2.985 103 T HA 0.283 4.633 4.350 0.001 0.000 0.254 103 T C 0.520 175.278 174.700 0.097 0.000 1.021 103 T CA -0.084 62.057 62.100 0.069 0.000 0.957 103 T CB 0.484 69.370 68.868 0.031 0.000 1.047 103 T HN 0.438 nan 8.240 nan 0.000 0.511 104 E N 1.309 121.604 120.200 0.157 0.000 2.354 104 E HA 0.514 4.865 4.350 0.001 0.000 0.283 104 E C -1.545 175.172 176.600 0.197 0.000 0.938 104 E CA -0.293 56.205 56.400 0.163 0.000 0.777 104 E CB 2.462 32.233 29.700 0.118 0.000 1.222 104 E HN 0.422 nan 8.360 nan 0.000 0.423 105 S N 1.323 117.165 115.700 0.238 0.000 2.537 105 S HA 0.596 5.066 4.470 0.001 0.000 0.270 105 S C -1.414 173.346 174.600 0.266 0.000 1.142 105 S CA -0.998 57.338 58.200 0.227 0.000 0.870 105 S CB 2.340 65.676 63.200 0.226 0.000 1.112 105 S HN 0.305 nan 8.310 nan 0.000 0.466 106 D N 0.861 121.397 120.400 0.226 0.000 2.492 106 D HA 0.442 5.082 4.640 0.001 0.000 0.248 106 D C -0.792 175.674 176.300 0.276 0.000 1.101 106 D CA -0.383 53.755 54.000 0.230 0.000 0.840 106 D CB 0.917 41.811 40.800 0.157 0.000 1.209 106 D HN 0.680 nan 8.370 nan 0.000 0.524 107 K N 2.294 122.877 120.400 0.306 0.000 3.148 107 K HA -0.251 4.070 4.320 0.001 0.000 0.267 107 K C -0.295 176.520 176.600 0.359 0.000 0.996 107 K CA 0.358 56.819 56.287 0.291 0.000 0.737 107 K CB -1.113 31.505 32.500 0.196 0.000 1.308 107 K HN 0.431 nan 8.250 nan 0.000 0.470 108 F N 0.022 120.072 119.950 0.166 0.000 2.480 108 F HA 0.306 4.833 4.527 0.001 0.000 0.258 108 F C 0.530 176.296 175.800 -0.057 0.000 0.941 108 F CA -0.262 57.762 58.000 0.041 0.000 1.085 108 F CB 0.231 39.120 39.000 -0.184 0.000 1.222 108 F HN -0.034 nan 8.300 nan 0.000 0.724 109 F N 2.721 122.691 119.950 0.033 0.000 2.608 109 F HA 0.105 4.633 4.527 0.001 0.000 0.380 109 F C 0.365 175.984 175.800 -0.303 0.000 1.083 109 F CA 0.210 58.033 58.000 -0.295 0.000 1.266 109 F CB -0.125 38.684 39.000 -0.319 0.000 1.076 109 F HN -0.137 nan 8.300 nan 0.000 0.574 110 I N 3.311 123.651 120.570 -0.383 0.000 2.532 110 I HA 0.022 4.193 4.170 0.001 0.000 0.292 110 I C 0.636 176.286 176.117 -0.778 0.000 1.014 110 I CA -0.494 60.513 61.300 -0.488 0.000 1.340 110 I CB 0.705 38.492 38.000 -0.355 0.000 1.422 110 I HN 0.591 nan 8.210 nan 0.000 0.528 111 N N 4.289 122.362 118.700 -1.046 0.000 2.434 111 N HA -0.040 4.700 4.740 0.001 0.000 0.268 111 N C 0.890 176.151 175.510 -0.416 0.000 1.256 111 N CA 0.947 53.383 53.050 -1.025 0.000 0.914 111 N CB 0.481 38.532 38.487 -0.727 0.000 1.088 111 N HN 0.978 nan 8.380 nan 0.000 0.478 112 G N 2.361 111.014 108.800 -0.245 0.000 2.155 112 G HA2 -0.386 3.574 3.960 0.001 0.000 0.257 112 G HA3 -0.386 3.574 3.960 0.001 0.000 0.257 112 G C 1.118 175.974 174.900 -0.073 0.000 0.983 112 G CA 0.927 46.000 45.100 -0.045 0.000 0.676 112 G HN 0.803 nan 8.290 nan 0.000 0.528 113 S N -0.271 115.288 115.700 -0.235 0.000 2.368 113 S HA -0.238 4.232 4.470 0.001 0.000 0.226 113 S C 1.500 175.976 174.600 -0.207 0.000 1.044 113 S CA 2.137 60.151 58.200 -0.310 0.000 1.062 113 S CB -0.471 62.263 63.200 -0.777 0.000 0.931 113 S HN 1.800 nan 8.310 nan 0.000 0.440 114 N N -1.256 117.325 118.700 -0.199 0.000 2.984 114 N HA -0.116 4.625 4.740 0.001 0.000 0.199 114 N C -0.316 174.925 175.510 -0.448 0.000 0.934 114 N CA 0.699 53.598 53.050 -0.251 0.000 1.043 114 N CB -1.446 36.901 38.487 -0.233 0.000 1.015 114 N HN 0.841 nan 8.380 nan 0.000 0.557 115 W N 0.594 121.678 121.300 -0.360 0.000 2.570 115 W HA 0.645 5.306 4.660 0.001 0.000 0.337 115 W C 0.106 176.559 176.519 -0.109 0.000 1.067 115 W CA -0.462 56.673 57.345 -0.350 0.000 1.229 115 W CB 0.750 30.068 29.460 -0.237 0.000 1.355 115 W HN -0.072 nan 8.180 nan 0.000 0.555 116 E N 1.656 122.014 120.200 0.264 0.000 2.447 116 E HA 0.271 4.621 4.350 0.001 0.000 0.204 116 E C 0.829 177.675 176.600 0.411 0.000 0.977 116 E CA 0.328 56.825 56.400 0.163 0.000 0.950 116 E CB 1.182 30.907 29.700 0.041 0.000 0.975 116 E HN 0.625 nan 8.360 nan 0.000 0.496 117 G N -0.366 108.726 108.800 0.487 0.000 2.827 117 G HA2 0.702 4.662 3.960 0.001 0.000 0.296 117 G HA3 0.702 4.662 3.960 0.001 0.000 0.296 117 G C -1.389 173.565 174.900 0.090 0.000 1.362 117 G CA -0.742 44.539 45.100 0.300 0.000 0.809 117 G HN -0.000 nan 8.290 nan 0.000 0.522 118 I N 0.120 120.676 120.570 -0.023 0.000 2.534 118 I HA 0.314 4.485 4.170 0.001 0.000 0.288 118 I C -1.301 174.823 176.117 0.011 0.000 1.077 118 I CA -0.674 60.536 61.300 -0.151 0.000 1.051 118 I CB 2.454 40.327 38.000 -0.212 0.000 1.234 118 I HN 0.284 nan 8.210 nan 0.000 0.425 119 L N 6.557 127.732 121.223 -0.079 0.000 2.297 119 L HA 0.586 4.927 4.340 0.001 0.000 0.277 119 L C 0.394 177.181 176.870 -0.139 0.000 1.040 119 L CA -0.034 54.731 54.840 -0.125 0.000 0.867 119 L CB 0.713 42.570 42.059 -0.336 0.000 1.244 119 L HN 0.628 nan 8.230 nan 0.000 0.433 120 G N 4.952 113.722 108.800 -0.050 0.000 2.356 120 G HA2 0.352 4.312 3.960 0.001 0.000 0.273 120 G HA3 0.352 4.312 3.960 0.001 0.000 0.273 120 G C 0.433 175.286 174.900 -0.077 0.000 1.213 120 G CA -0.363 44.706 45.100 -0.051 0.000 0.955 120 G HN 0.732 nan 8.290 nan 0.000 0.454 121 L N 2.066 123.206 121.223 -0.139 0.000 2.693 121 L HA 0.275 4.615 4.340 0.001 0.000 0.235 121 L C 1.859 178.650 176.870 -0.132 0.000 1.127 121 L CA -0.203 54.513 54.840 -0.207 0.000 0.914 121 L CB -0.004 41.740 42.059 -0.525 0.000 1.193 121 L HN 0.587 nan 8.230 nan 0.000 0.502 122 A N -0.650 122.080 122.820 -0.150 0.000 2.292 122 A HA 0.317 4.638 4.320 0.001 0.000 0.265 122 A C -0.520 176.831 177.584 -0.388 0.000 1.133 122 A CA -0.063 51.744 52.037 -0.383 0.000 0.807 122 A CB 0.029 18.887 19.000 -0.237 0.000 1.102 122 A HN 0.113 nan 8.150 nan 0.000 0.502 123 Y N -1.162 118.996 120.300 -0.236 0.000 2.295 123 Y HA 0.366 4.917 4.550 0.001 0.000 0.331 123 Y C 1.752 177.630 175.900 -0.036 0.000 1.311 123 Y CA 0.445 58.492 58.100 -0.089 0.000 1.430 123 Y CB 0.601 39.025 38.460 -0.060 0.000 1.339 123 Y HN 0.692 nan 8.280 nan 0.000 0.552 124 A N 0.244 123.179 122.820 0.192 0.000 1.940 124 A HA -0.222 4.098 4.320 0.001 0.000 0.219 124 A C 2.007 179.648 177.584 0.095 0.000 1.176 124 A CA 1.885 53.993 52.037 0.117 0.000 0.631 124 A CB -0.804 18.262 19.000 0.111 0.000 0.814 124 A HN 0.947 nan 8.150 nan 0.000 0.446 125 E N -0.031 120.238 120.200 0.115 0.000 2.187 125 E HA -0.220 4.131 4.350 0.001 0.000 0.199 125 E C 1.397 178.048 176.600 0.084 0.000 1.004 125 E CA 1.616 58.074 56.400 0.096 0.000 0.813 125 E CB -0.276 29.494 29.700 0.117 0.000 0.736 125 E HN 0.849 nan 8.360 nan 0.000 0.468 126 I N -2.516 118.078 120.570 0.040 0.000 3.884 126 I HA 0.389 4.560 4.170 0.001 0.000 0.330 126 I C 0.254 176.365 176.117 -0.009 0.000 1.451 126 I CA -0.592 60.687 61.300 -0.035 0.000 1.165 126 I CB 0.590 38.409 38.000 -0.301 0.000 1.097 126 I HN -0.128 nan 8.210 nan 0.000 0.404 127 A N 1.765 124.606 122.820 0.034 0.000 2.354 127 A HA 0.680 5.001 4.320 0.001 0.000 0.269 127 A C 0.067 177.692 177.584 0.067 0.000 1.109 127 A CA -0.535 51.538 52.037 0.060 0.000 0.800 127 A CB 0.498 19.543 19.000 0.075 0.000 1.045 127 A HN 0.348 nan 8.150 nan 0.000 0.489 128 R N 2.006 122.558 120.500 0.088 0.000 2.428 128 R HA 0.364 4.704 4.340 0.001 0.000 0.294 128 R C -2.240 174.108 176.300 0.079 0.000 1.000 128 R CA -2.391 53.750 56.100 0.068 0.000 0.960 128 R CB 0.344 30.675 30.300 0.052 0.000 1.076 128 R HN 0.411 nan 8.270 nan 0.000 0.475 129 P HA -0.099 nan 4.420 nan 0.000 0.217 129 P C -0.182 177.139 177.300 0.034 0.000 1.151 129 P CA 1.367 64.482 63.100 0.026 0.000 0.828 129 P CB 0.341 32.056 31.700 0.024 0.000 0.788 130 D N -2.409 118.017 120.400 0.043 0.000 2.759 130 D HA 0.016 4.656 4.640 0.001 0.000 0.321 130 D C -0.340 175.990 176.300 0.049 0.000 1.267 130 D CA -0.540 53.485 54.000 0.042 0.000 0.933 130 D CB -0.178 40.642 40.800 0.034 0.000 1.431 130 D HN -0.152 nan 8.370 nan 0.000 0.504 131 D N -1.055 119.373 120.400 0.047 0.000 2.392 131 D HA -0.108 4.533 4.640 0.001 0.000 0.228 131 D C 1.212 177.541 176.300 0.050 0.000 1.003 131 D CA 0.952 54.984 54.000 0.052 0.000 0.917 131 D CB -0.252 40.577 40.800 0.048 0.000 0.890 131 D HN 0.259 nan 8.370 nan 0.000 0.532 132 S N -0.753 114.973 115.700 0.045 0.000 2.489 132 S HA -0.034 4.436 4.470 0.001 0.000 0.228 132 S C 0.782 175.411 174.600 0.049 0.000 0.995 132 S CA -0.498 57.726 58.200 0.041 0.000 0.934 132 S CB -0.413 62.807 63.200 0.034 0.000 0.771 132 S HN 0.306 nan 8.310 nan 0.000 0.522 133 L N 2.901 124.161 121.223 0.061 0.000 2.261 133 L HA 0.393 4.734 4.340 0.001 0.000 0.289 133 L C 0.055 176.974 176.870 0.081 0.000 1.059 133 L CA -0.314 54.571 54.840 0.075 0.000 0.816 133 L CB 0.762 42.875 42.059 0.090 0.000 1.191 133 L HN 0.201 nan 8.230 nan 0.000 0.431 134 E N 6.939 127.183 120.200 0.074 0.000 2.415 134 E HA 0.134 4.484 4.350 0.001 0.000 0.260 134 E C -2.178 174.479 176.600 0.094 0.000 1.016 134 E CA -1.556 54.887 56.400 0.072 0.000 0.924 134 E CB 0.596 30.323 29.700 0.047 0.000 0.961 134 E HN 0.434 nan 8.360 nan 0.000 0.459 135 P HA -0.055 nan 4.420 nan 0.000 0.270 135 P C -0.036 177.342 177.300 0.131 0.000 1.223 135 P CA -0.066 63.110 63.100 0.126 0.000 0.785 135 P CB 0.384 32.141 31.700 0.094 0.000 0.923 136 F N 2.029 121.990 119.950 0.018 0.000 2.069 136 F HA -0.228 4.300 4.527 0.001 0.000 0.298 136 F C 1.991 177.757 175.800 -0.057 0.000 1.113 136 F CA 1.458 59.425 58.000 -0.054 0.000 1.214 136 F CB -0.701 38.173 39.000 -0.211 0.000 0.978 136 F HN 0.204 nan 8.300 nan 0.000 0.474 137 F N 1.370 121.278 119.950 -0.069 0.000 2.269 137 F HA -0.168 4.360 4.527 0.001 0.000 0.301 137 F C 1.837 177.522 175.800 -0.192 0.000 1.082 137 F CA 2.000 59.894 58.000 -0.177 0.000 1.360 137 F CB -0.560 38.394 39.000 -0.076 0.000 1.041 137 F HN 0.038 nan 8.300 nan 0.000 0.512 138 D N -0.947 119.471 120.400 0.029 0.000 2.117 138 D HA -0.158 4.482 4.640 0.001 0.000 0.198 138 D C 2.377 178.595 176.300 -0.137 0.000 0.982 138 D CA 1.636 55.641 54.000 0.008 0.000 0.828 138 D CB -0.191 40.647 40.800 0.063 0.000 0.967 138 D HN 0.150 nan 8.370 nan 0.000 0.464 139 S N 0.317 115.882 115.700 -0.225 0.000 2.356 139 S HA -0.131 4.340 4.470 0.001 0.000 0.223 139 S C 1.815 176.181 174.600 -0.391 0.000 1.032 139 S CA 0.387 58.427 58.200 -0.267 0.000 1.005 139 S CB -0.352 62.689 63.200 -0.265 0.000 0.867 139 S HN 0.169 nan 8.310 nan 0.000 0.449 140 L N 2.173 123.000 121.223 -0.660 0.000 1.990 140 L HA -0.102 4.238 4.340 0.001 0.000 0.213 140 L C 2.241 178.829 176.870 -0.470 0.000 1.072 140 L CA 1.713 56.143 54.840 -0.685 0.000 0.755 140 L CB -0.780 40.683 42.059 -0.994 0.000 0.889 140 L HN 0.145 nan 8.230 nan 0.000 0.432 141 V N 0.119 119.757 119.914 -0.461 0.000 2.343 141 V HA -0.324 3.796 4.120 0.001 0.000 0.247 141 V C 2.632 178.635 176.094 -0.153 0.000 1.051 141 V CA 2.202 64.347 62.300 -0.258 0.000 1.036 141 V CB -0.860 30.890 31.823 -0.122 0.000 0.654 141 V HN 0.612 nan 8.190 nan 0.000 0.451 142 K N 0.047 120.360 120.400 -0.145 0.000 2.097 142 K HA -0.209 4.112 4.320 0.001 0.000 0.206 142 K C 1.949 178.480 176.600 -0.115 0.000 1.049 142 K CA 1.735 57.965 56.287 -0.094 0.000 0.933 142 K CB -0.077 32.377 32.500 -0.077 0.000 0.717 142 K HN 0.552 nan 8.250 nan 0.000 0.442 143 Q N 0.340 120.043 119.800 -0.162 0.000 2.356 143 Q HA 0.038 4.379 4.340 0.001 0.000 0.205 143 Q C 0.382 176.256 176.000 -0.210 0.000 0.901 143 Q CA 0.619 56.324 55.803 -0.162 0.000 0.938 143 Q CB 1.139 29.784 28.738 -0.154 0.000 1.081 143 Q HN 0.424 nan 8.270 nan 0.000 0.517 144 T N -3.989 110.427 114.554 -0.230 0.000 2.693 144 T HA 0.290 4.641 4.350 0.001 0.000 0.278 144 T C -0.049 174.495 174.700 -0.259 0.000 0.994 144 T CA -0.744 61.191 62.100 -0.276 0.000 1.033 144 T CB 0.913 69.667 68.868 -0.190 0.000 1.342 144 T HN 0.111 nan 8.240 nan 0.000 0.538 145 H N -1.123 117.925 119.070 -0.037 0.000 2.542 145 H HA 0.478 5.035 4.556 0.001 0.000 0.283 145 H C 0.082 175.408 175.328 -0.004 0.000 1.059 145 H CA -0.537 55.502 56.048 -0.015 0.000 1.162 145 H CB 0.421 30.183 29.762 0.001 0.000 1.539 145 H HN 0.215 nan 8.280 nan 0.000 0.543 146 V N 3.538 123.483 119.914 0.052 0.000 2.540 146 V HA -0.012 4.109 4.120 0.001 0.000 0.297 146 V C -1.791 174.339 176.094 0.059 0.000 1.024 146 V CA -1.273 61.049 62.300 0.036 0.000 1.105 146 V CB 0.422 32.206 31.823 -0.065 0.000 0.938 146 V HN 0.201 nan 8.190 nan 0.000 0.482 147 P HA 0.008 nan 4.420 nan 0.000 0.266 147 P C -0.110 177.302 177.300 0.187 0.000 1.195 147 P CA -0.093 63.084 63.100 0.128 0.000 0.768 147 P CB 0.245 32.023 31.700 0.130 0.000 0.838 148 N N 3.404 122.225 118.700 0.201 0.000 2.605 148 N HA 0.211 4.952 4.740 0.001 0.000 0.282 148 N C -0.870 174.834 175.510 0.324 0.000 1.206 148 N CA 0.350 53.601 53.050 0.335 0.000 1.074 148 N CB -1.067 37.575 38.487 0.259 0.000 1.434 148 N HN 0.357 nan 8.380 nan 0.000 0.506 149 L N 2.353 123.827 121.223 0.418 0.000 2.700 149 L HA 0.496 4.836 4.340 0.001 0.000 0.255 149 L C -1.942 175.087 176.870 0.265 0.000 0.933 149 L CA -0.887 54.059 54.840 0.176 0.000 0.920 149 L CB 0.731 42.833 42.059 0.073 0.000 1.472 149 L HN 0.212 nan 8.230 nan 0.000 0.426 150 F N 1.657 121.551 119.950 -0.093 0.000 2.645 150 F HA 0.922 5.450 4.527 0.001 0.000 0.310 150 F C -1.068 174.666 175.800 -0.111 0.000 1.102 150 F CA -0.360 57.577 58.000 -0.105 0.000 0.952 150 F CB 1.753 40.634 39.000 -0.199 0.000 1.326 150 F HN 0.497 nan 8.300 nan 0.000 0.456 151 S N 2.029 117.718 115.700 -0.018 0.000 2.548 151 S HA 0.873 5.344 4.470 0.001 0.000 0.286 151 S C -1.563 173.050 174.600 0.022 0.000 1.098 151 S CA -0.850 57.229 58.200 -0.201 0.000 0.930 151 S CB 1.951 64.872 63.200 -0.466 0.000 1.070 151 S HN 0.870 nan 8.310 nan 0.000 0.480 152 L N 1.645 122.851 121.223 -0.028 0.000 2.381 152 L HA 0.556 4.897 4.340 0.001 0.000 0.274 152 L C -0.465 176.475 176.870 0.117 0.000 0.988 152 L CA -0.397 54.492 54.840 0.081 0.000 0.824 152 L CB 2.137 44.258 42.059 0.102 0.000 1.263 152 L HN 0.754 nan 8.230 nan 0.000 0.410 153 Q N 4.742 124.636 119.800 0.156 0.000 2.456 153 Q HA 0.439 4.779 4.340 0.001 0.000 0.252 153 Q C -1.433 174.527 176.000 -0.067 0.000 1.042 153 Q CA -0.555 55.331 55.803 0.138 0.000 0.766 153 Q CB 1.092 29.924 28.738 0.156 0.000 1.196 153 Q HN 0.607 nan 8.270 nan 0.000 0.504 154 L N 3.420 124.542 121.223 -0.170 0.000 2.278 154 L HA 0.389 4.730 4.340 0.001 0.000 0.287 154 L C -0.386 176.388 176.870 -0.159 0.000 1.072 154 L CA -0.667 53.901 54.840 -0.454 0.000 0.819 154 L CB 0.611 42.285 42.059 -0.641 0.000 1.176 154 L HN 0.572 nan 8.230 nan 0.000 0.435 155 c N 2.877 121.444 118.600 -0.054 0.000 2.330 155 c HA 0.448 5.019 4.570 0.001 0.000 0.344 155 c C 1.695 175.885 174.090 0.166 0.000 1.273 155 c CA -0.563 55.802 56.329 0.060 0.000 1.879 155 c CB 0.747 43.282 42.510 0.043 0.000 2.376 155 c HN 1.044 nan 8.230 nan 0.000 0.534 156 G N 2.121 110.992 108.800 0.119 0.000 2.679 156 G HA2 0.437 4.397 3.960 0.001 0.000 0.214 156 G HA3 0.437 4.397 3.960 0.001 0.000 0.214 156 G C 0.287 175.235 174.900 0.081 0.000 1.315 156 G CA 1.252 46.425 45.100 0.122 0.000 0.836 156 G HN 1.506 nan 8.290 nan 0.000 0.580 170 V N 0.443 120.308 119.914 -0.081 0.000 3.177 170 V HA 1.132 5.253 4.120 0.001 0.000 0.319 170 V C 0.527 176.620 176.094 -0.000 0.000 1.125 170 V CA -0.087 62.189 62.300 -0.040 0.000 1.029 170 V CB 1.429 33.191 31.823 -0.102 0.000 1.119 170 V HN 0.802 nan 8.190 nan 0.000 0.452 171 G N -1.639 107.249 108.800 0.147 0.000 2.684 171 G HA2 0.875 4.836 3.960 0.001 0.000 0.290 171 G HA3 0.875 4.836 3.960 0.001 0.000 0.290 171 G C -0.596 174.410 174.900 0.176 0.000 1.425 171 G CA -0.201 44.976 45.100 0.128 0.000 0.822 171 G HN 1.666 nan 8.290 nan 0.000 0.482 172 G N -1.233 107.604 108.800 0.063 0.000 2.489 172 G HA2 0.620 4.580 3.960 0.001 0.000 0.305 172 G HA3 0.620 4.580 3.960 0.001 0.000 0.305 172 G C -1.398 173.484 174.900 -0.030 0.000 1.311 172 G CA -0.161 44.913 45.100 -0.043 0.000 0.813 172 G HN 1.159 nan 8.290 nan 0.000 0.480 173 S N -0.106 115.578 115.700 -0.026 0.000 2.557 173 S HA 0.612 5.082 4.470 0.001 0.000 0.291 173 S C -0.530 174.096 174.600 0.043 0.000 1.116 173 S CA -0.478 57.734 58.200 0.020 0.000 0.992 173 S CB 1.615 64.843 63.200 0.046 0.000 1.028 173 S HN 0.703 nan 8.310 nan 0.000 0.484 174 M N 4.928 124.554 119.600 0.042 0.000 2.072 174 M HA 0.466 4.946 4.480 0.001 0.000 0.331 174 M C -1.625 174.723 176.300 0.080 0.000 1.004 174 M CA -0.691 54.644 55.300 0.059 0.000 0.952 174 M CB 0.184 32.787 32.600 0.005 0.000 1.511 174 M HN 0.443 nan 8.290 nan 0.000 0.422 175 I N 7.027 127.654 120.570 0.095 0.000 2.287 175 I HA 0.266 4.436 4.170 0.001 0.000 0.290 175 I C -0.130 175.999 176.117 0.021 0.000 1.069 175 I CA -0.396 60.910 61.300 0.010 0.000 1.237 175 I CB 0.114 38.072 38.000 -0.070 0.000 1.418 175 I HN 0.719 nan 8.210 nan 0.000 0.481 176 I N 5.447 126.053 120.570 0.060 0.000 2.352 176 I HA 0.329 4.500 4.170 0.001 0.000 0.290 176 I C 1.253 177.421 176.117 0.085 0.000 1.036 176 I CA 0.373 61.778 61.300 0.176 0.000 1.336 176 I CB 0.907 39.015 38.000 0.181 0.000 1.407 176 I HN 0.871 nan 8.210 nan 0.000 0.497 177 G N 3.926 112.822 108.800 0.159 0.000 2.157 177 G HA2 -0.105 3.856 3.960 0.001 0.000 0.239 177 G HA3 -0.105 3.856 3.960 0.001 0.000 0.239 177 G C 0.201 175.091 174.900 -0.017 0.000 0.982 177 G CA -0.218 44.949 45.100 0.111 0.000 0.650 177 G HN 1.135 nan 8.290 nan 0.000 0.527 178 G N -1.230 107.419 108.800 -0.252 0.000 2.548 178 G HA2 0.644 4.605 3.960 0.001 0.000 0.301 178 G HA3 0.644 4.605 3.960 0.001 0.000 0.301 178 G C -1.466 173.237 174.900 -0.328 0.000 1.349 178 G CA -0.568 44.301 45.100 -0.385 0.000 0.792 178 G HN 0.752 nan 8.290 nan 0.000 0.481 179 I N 1.239 121.786 120.570 -0.039 0.000 2.439 179 I HA 0.280 4.451 4.170 0.001 0.000 0.285 179 I C -1.172 175.204 176.117 0.430 0.000 1.021 179 I CA -0.639 60.782 61.300 0.202 0.000 1.091 179 I CB 2.105 40.229 38.000 0.206 0.000 1.242 179 I HN 0.347 nan 8.210 nan 0.000 0.439 180 D N 5.602 126.256 120.400 0.423 0.000 2.317 180 D HA 0.107 4.747 4.640 0.001 0.000 0.234 180 D C 0.984 177.422 176.300 0.229 0.000 1.112 180 D CA -0.116 54.119 54.000 0.392 0.000 0.840 180 D CB 0.948 41.925 40.800 0.295 0.000 1.078 180 D HN 0.574 nan 8.370 nan 0.000 0.486 181 H N 1.905 121.068 119.070 0.155 0.000 2.489 181 H HA -0.112 4.445 4.556 0.001 0.000 0.293 181 H C 1.747 176.929 175.328 -0.243 0.000 1.066 181 H CA 1.336 57.355 56.048 -0.047 0.000 1.305 181 H CB 0.607 30.329 29.762 -0.066 0.000 1.386 181 H HN 0.407 nan 8.280 nan 0.000 0.551 182 S N -0.012 115.666 115.700 -0.035 0.000 2.603 182 S HA 0.045 4.515 4.470 0.001 0.000 0.220 182 S C 1.795 176.301 174.600 -0.157 0.000 0.967 182 S CA -0.030 58.115 58.200 -0.091 0.000 0.920 182 S CB -0.251 62.927 63.200 -0.036 0.000 0.773 182 S HN 0.295 nan 8.310 nan 0.000 0.529 183 L N 0.260 121.327 121.223 -0.259 0.000 2.567 183 L HA 0.340 4.680 4.340 0.001 0.000 0.225 183 L C 0.502 177.218 176.870 -0.256 0.000 1.119 183 L CA -0.134 54.475 54.840 -0.384 0.000 0.871 183 L CB -0.303 41.251 42.059 -0.843 0.000 1.036 183 L HN 0.582 nan 8.230 nan 0.000 0.459 184 Y N -1.973 118.135 120.300 -0.320 0.000 2.728 184 Y HA 0.714 5.264 4.550 0.001 0.000 0.330 184 Y C -0.421 175.447 175.900 -0.053 0.000 1.234 184 Y CA -1.496 56.532 58.100 -0.119 0.000 1.070 184 Y CB 0.971 39.421 38.460 -0.016 0.000 1.300 184 Y HN -0.111 nan 8.280 nan 0.000 0.467 185 T N -1.573 113.016 114.554 0.058 0.000 2.896 185 T HA 0.716 5.066 4.350 0.001 0.000 0.297 185 T C 0.324 175.098 174.700 0.123 0.000 1.108 185 T CA -0.288 61.790 62.100 -0.036 0.000 1.004 185 T CB 1.090 69.962 68.868 0.006 0.000 1.159 185 T HN 2.325 nan 8.240 nan 0.000 0.499 186 G N 1.662 110.501 108.800 0.066 0.000 2.575 186 G HA2 -0.117 3.843 3.960 0.001 0.000 0.267 186 G HA3 -0.117 3.843 3.960 0.001 0.000 0.267 186 G C -0.046 174.979 174.900 0.208 0.000 1.264 186 G CA -0.086 45.090 45.100 0.127 0.000 0.935 186 G HN 1.311 nan 8.290 nan 0.000 0.568 187 S N -0.650 115.164 115.700 0.189 0.000 2.654 187 S HA 0.650 5.120 4.470 0.001 0.000 0.283 187 S C 0.322 174.933 174.600 0.019 0.000 1.180 187 S CA -0.507 57.744 58.200 0.084 0.000 1.021 187 S CB 1.407 64.561 63.200 -0.076 0.000 1.018 187 S HN 0.623 nan 8.310 nan 0.000 0.532 188 L N 2.072 123.176 121.223 -0.199 0.000 2.264 188 L HA 0.407 4.748 4.340 0.001 0.000 0.289 188 L C -1.209 175.315 176.870 -0.578 0.000 1.044 188 L CA -0.308 54.277 54.840 -0.424 0.000 0.807 188 L CB 0.627 42.358 42.059 -0.547 0.000 1.192 188 L HN 0.649 nan 8.230 nan 0.000 0.425 189 W N 2.798 123.690 121.300 -0.681 0.000 2.520 189 W HA 0.454 5.114 4.660 0.001 0.000 0.323 189 W C -0.694 175.230 176.519 -0.991 0.000 1.062 189 W CA -0.233 56.562 57.345 -0.916 0.000 1.215 189 W CB 1.076 29.604 29.460 -1.553 0.000 1.340 189 W HN 0.215 nan 8.180 nan 0.000 0.516 190 Y N 1.393 121.547 120.300 -0.245 0.000 2.360 190 Y HA 0.489 5.040 4.550 0.001 0.000 0.337 190 Y C 0.562 176.692 175.900 0.383 0.000 1.039 190 Y CA -0.784 57.328 58.100 0.021 0.000 1.109 190 Y CB 2.067 40.504 38.460 -0.038 0.000 1.201 190 Y HN 0.162 nan 8.280 nan 0.000 0.458 191 T N 5.026 119.939 114.554 0.598 0.000 2.855 191 T HA 0.511 4.861 4.350 0.001 0.000 0.281 191 T C -2.814 172.064 174.700 0.297 0.000 1.007 191 T CA -2.646 59.741 62.100 0.478 0.000 1.009 191 T CB 0.978 70.066 68.868 0.366 0.000 0.983 191 T HN 0.251 nan 8.240 nan 0.000 0.455 192 P HA 0.288 nan 4.420 nan 0.000 0.272 192 P C -0.499 176.906 177.300 0.174 0.000 1.223 192 P CA -0.259 62.944 63.100 0.171 0.000 0.784 192 P CB 0.321 32.103 31.700 0.137 0.000 0.923 193 I N 3.159 123.832 120.570 0.172 0.000 2.363 193 I HA 0.150 4.321 4.170 0.001 0.000 0.292 193 I C 2.024 178.243 176.117 0.171 0.000 1.075 193 I CA -0.118 61.307 61.300 0.208 0.000 1.333 193 I CB 0.416 38.571 38.000 0.259 0.000 1.415 193 I HN 0.457 nan 8.210 nan 0.000 0.502 194 R N 5.627 126.241 120.500 0.189 0.000 2.080 194 R HA -0.029 4.312 4.340 0.001 0.000 0.236 194 R C 0.796 177.182 176.300 0.144 0.000 1.137 194 R CA 1.490 57.689 56.100 0.165 0.000 0.943 194 R CB 0.281 30.698 30.300 0.196 0.000 0.846 194 R HN 0.578 nan 8.270 nan 0.000 0.431 195 R N -0.120 120.509 120.500 0.215 0.000 2.626 195 R HA 0.120 4.461 4.340 0.001 0.000 0.274 195 R C -1.457 174.975 176.300 0.219 0.000 1.031 195 R CA -0.440 55.750 56.100 0.149 0.000 0.898 195 R CB 1.777 32.125 30.300 0.080 0.000 1.222 195 R HN 0.050 nan 8.270 nan 0.000 0.455 196 E N 4.199 124.356 120.200 -0.072 0.000 1.979 196 E HA 0.059 4.410 4.350 0.001 0.000 0.285 196 E C -0.132 176.410 176.600 -0.097 0.000 1.188 196 E CA 0.025 56.123 56.400 -0.504 0.000 1.214 196 E CB 0.253 29.370 29.700 -0.972 0.000 1.210 196 E HN 0.421 nan 8.360 nan 0.000 0.477 197 W N 0.653 121.894 121.300 -0.098 0.000 4.441 197 W HA 0.208 4.869 4.660 0.001 0.000 0.179 197 W C -0.003 176.498 176.519 -0.031 0.000 2.822 197 W CA -0.275 57.052 57.345 -0.030 0.000 2.030 197 W CB -0.834 28.593 29.460 -0.055 0.000 1.760 197 W HN -0.031 nan 8.180 nan 0.000 0.574 198 Y N 0.504 120.541 120.300 -0.438 0.000 2.260 198 Y HA 0.198 4.749 4.550 0.001 0.000 0.339 198 Y C 0.018 175.815 175.900 -0.173 0.000 1.317 198 Y CA -0.207 57.642 58.100 -0.418 0.000 1.514 198 Y CB -0.063 37.992 38.460 -0.676 0.000 1.382 198 Y HN -0.144 nan 8.280 nan 0.000 0.581 199 Y N 0.898 121.376 120.300 0.297 0.000 2.636 199 Y HA 0.103 4.653 4.550 0.001 0.000 0.334 199 Y C 0.421 176.449 175.900 0.213 0.000 1.286 199 Y CA -0.297 57.996 58.100 0.322 0.000 1.688 199 Y CB -0.278 38.408 38.460 0.376 0.000 1.662 199 Y HN 0.418 nan 8.280 nan 0.000 0.465 200 E N 2.767 123.149 120.200 0.303 0.000 2.283 200 E HA 0.480 4.831 4.350 0.001 0.000 0.278 200 E C -0.811 175.931 176.600 0.236 0.000 1.027 200 E CA -0.574 55.965 56.400 0.231 0.000 0.843 200 E CB 1.002 30.893 29.700 0.318 0.000 1.062 200 E HN 0.408 nan 8.360 nan 0.000 0.401 201 V N 1.357 121.378 119.914 0.178 0.000 3.158 201 V HA 0.628 4.748 4.120 0.001 0.000 0.311 201 V C -0.542 175.620 176.094 0.115 0.000 1.181 201 V CA -1.006 61.383 62.300 0.149 0.000 1.054 201 V CB 1.671 33.572 31.823 0.130 0.000 1.085 201 V HN 0.626 nan 8.190 nan 0.000 0.446 202 I N 1.795 122.415 120.570 0.083 0.000 2.411 202 I HA 0.463 4.634 4.170 0.001 0.000 0.284 202 I C -0.617 175.508 176.117 0.015 0.000 1.012 202 I CA -0.346 60.998 61.300 0.073 0.000 1.119 202 I CB 1.590 39.643 38.000 0.088 0.000 1.261 202 I HN 0.498 nan 8.210 nan 0.000 0.448 203 I N 6.713 127.295 120.570 0.020 0.000 2.416 203 I HA 0.054 4.225 4.170 0.001 0.000 0.288 203 I C 1.201 177.345 176.117 0.045 0.000 1.051 203 I CA -0.120 61.157 61.300 -0.037 0.000 1.375 203 I CB 1.265 39.225 38.000 -0.066 0.000 1.407 203 I HN 0.489 nan 8.210 nan 0.000 0.516 204 V N 3.266 123.175 119.914 -0.010 0.000 3.427 204 V HA 0.453 4.574 4.120 0.001 0.000 0.305 204 V C 0.352 176.445 176.094 -0.001 0.000 1.412 204 V CA -0.076 62.246 62.300 0.036 0.000 1.086 204 V CB -0.376 31.447 31.823 0.000 0.000 0.964 204 V HN 0.923 nan 8.190 nan 0.000 0.439 205 R N -0.457 119.976 120.500 -0.111 0.000 3.329 205 R HA 0.551 4.891 4.340 0.001 0.000 0.251 205 R C -2.539 173.542 176.300 -0.366 0.000 1.023 205 R CA -0.314 55.637 56.100 -0.248 0.000 1.009 205 R CB 1.958 31.958 30.300 -0.500 0.000 1.250 205 R HN 0.061 nan 8.270 nan 0.000 0.518 206 V N 2.766 122.395 119.914 -0.475 0.000 2.709 206 V HA 0.547 4.668 4.120 0.001 0.000 0.308 206 V C -0.737 175.259 176.094 -0.162 0.000 1.062 206 V CA -0.740 61.331 62.300 -0.382 0.000 0.901 206 V CB 2.070 33.505 31.823 -0.646 0.000 1.003 206 V HN 0.754 nan 8.190 nan 0.000 0.425 207 E N 4.039 124.195 120.200 -0.073 0.000 2.272 207 E HA 0.566 4.916 4.350 0.001 0.000 0.269 207 E C -1.535 175.051 176.600 -0.022 0.000 0.877 207 E CA -0.813 55.569 56.400 -0.029 0.000 0.755 207 E CB 2.753 32.472 29.700 0.031 0.000 1.192 207 E HN 0.388 nan 8.360 nan 0.000 0.422 208 I N 3.064 123.627 120.570 -0.011 0.000 2.355 208 I HA 0.183 4.354 4.170 0.001 0.000 0.288 208 I C 0.119 176.255 176.117 0.032 0.000 0.999 208 I CA -0.647 60.661 61.300 0.013 0.000 1.163 208 I CB 0.655 38.657 38.000 0.003 0.000 1.316 208 I HN 0.608 nan 8.210 nan 0.000 0.454 209 N N 5.298 124.033 118.700 0.058 0.000 2.714 209 N HA -0.216 4.524 4.740 0.001 0.000 0.252 209 N C 1.226 176.758 175.510 0.036 0.000 1.014 209 N CA 1.294 54.380 53.050 0.060 0.000 0.735 209 N CB -0.667 37.862 38.487 0.070 0.000 0.924 209 N HN 1.117 nan 8.380 nan 0.000 0.540 210 G N -0.859 107.957 108.800 0.027 0.000 2.234 210 G HA2 -0.384 3.576 3.960 0.001 0.000 0.260 210 G HA3 -0.384 3.576 3.960 0.001 0.000 0.260 210 G C -0.015 174.885 174.900 -0.001 0.000 0.987 210 G CA 0.756 45.866 45.100 0.017 0.000 0.625 210 G HN 0.754 nan 8.290 nan 0.000 0.532 211 Q N 1.290 121.088 119.800 -0.002 0.000 2.337 211 Q HA 0.467 4.807 4.340 0.001 0.000 0.255 211 Q C -0.065 175.920 176.000 -0.026 0.000 0.997 211 Q CA -0.523 55.272 55.803 -0.014 0.000 0.925 211 Q CB 0.587 29.319 28.738 -0.010 0.000 1.212 211 Q HN 0.243 nan 8.270 nan 0.000 0.436 212 D N 3.526 123.901 120.400 -0.042 0.000 2.525 212 D HA -0.125 4.515 4.640 0.001 0.000 0.235 212 D C 0.509 176.798 176.300 -0.018 0.000 1.137 212 D CA 0.121 54.090 54.000 -0.051 0.000 0.868 212 D CB 0.900 41.659 40.800 -0.069 0.000 1.180 212 D HN 0.670 nan 8.370 nan 0.000 0.465 213 L N 3.600 124.828 121.223 0.008 0.000 2.291 213 L HA 0.009 4.349 4.340 0.001 0.000 0.214 213 L C 1.322 178.235 176.870 0.072 0.000 1.120 213 L CA 1.000 55.873 54.840 0.056 0.000 0.799 213 L CB -0.974 41.159 42.059 0.123 0.000 0.925 213 L HN 0.792 nan 8.230 nan 0.000 0.446 214 K N -0.174 120.269 120.400 0.073 0.000 3.419 214 K HA -0.227 4.094 4.320 0.001 0.000 0.272 214 K C -0.532 176.068 176.600 0.001 0.000 0.973 214 K CA 0.561 56.864 56.287 0.026 0.000 0.749 214 K CB -0.888 31.607 32.500 -0.008 0.000 1.403 214 K HN 0.298 nan 8.250 nan 0.000 0.456 215 M N 0.311 119.907 119.600 -0.008 0.000 2.716 215 M HA 0.221 4.702 4.480 0.001 0.000 0.307 215 M C -0.134 176.009 176.300 -0.260 0.000 1.223 215 M CA -1.089 54.113 55.300 -0.164 0.000 0.871 215 M CB 1.216 33.657 32.600 -0.265 0.000 1.739 215 M HN 0.096 nan 8.290 nan 0.000 0.475 216 D N 1.346 121.598 120.400 -0.247 0.000 2.502 216 D HA -0.029 4.612 4.640 0.001 0.000 0.249 216 D C 1.146 177.221 176.300 -0.375 0.000 1.188 216 D CA -0.054 53.812 54.000 -0.222 0.000 0.890 216 D CB 0.843 41.541 40.800 -0.170 0.000 1.140 216 D HN 0.811 nan 8.370 nan 0.000 0.505 217 c N 3.728 122.181 118.600 -0.245 0.000 2.409 217 c HA -0.062 4.508 4.570 0.001 0.000 0.288 217 c C 2.124 176.124 174.090 -0.150 0.000 1.395 217 c CA 0.003 56.211 56.329 -0.202 0.000 1.792 217 c CB -0.687 41.888 42.510 0.108 0.000 1.847 217 c HN 0.618 nan 8.230 nan 0.000 0.534 218 K N 0.771 121.106 120.400 -0.108 0.000 2.280 218 K HA -0.108 4.213 4.320 0.001 0.000 0.202 218 K C 2.154 178.718 176.600 -0.060 0.000 1.047 218 K CA 1.392 57.677 56.287 -0.004 0.000 0.942 218 K CB -0.100 32.424 32.500 0.040 0.000 0.739 218 K HN 0.585 nan 8.250 nan 0.000 0.457 219 E N -0.082 119.968 120.200 -0.250 0.000 2.106 219 E HA -0.166 4.184 4.350 0.001 0.000 0.192 219 E C 1.817 178.375 176.600 -0.070 0.000 0.984 219 E CA 1.242 57.504 56.400 -0.231 0.000 0.806 219 E CB -0.241 29.249 29.700 -0.350 0.000 0.750 219 E HN 0.533 nan 8.360 nan 0.000 0.458 220 Y N 0.973 121.293 120.300 0.033 0.000 2.352 220 Y HA -0.057 4.493 4.550 0.001 0.000 0.292 220 Y C 1.423 177.348 175.900 0.042 0.000 1.136 220 Y CA 0.473 58.590 58.100 0.028 0.000 1.227 220 Y CB 0.114 38.576 38.460 0.004 0.000 0.991 220 Y HN 0.000 nan 8.280 nan 0.000 0.545 221 N N -0.818 118.000 118.700 0.196 0.000 2.389 221 N HA 0.011 4.752 4.740 0.001 0.000 0.260 221 N C -1.288 174.311 175.510 0.148 0.000 1.191 221 N CA -0.043 53.106 53.050 0.165 0.000 0.885 221 N CB 0.229 38.827 38.487 0.185 0.000 1.162 221 N HN 0.237 nan 8.380 nan 0.000 0.512 222 Y N 2.332 122.577 120.300 -0.093 0.000 2.369 222 Y HA 0.205 4.755 4.550 0.001 0.000 0.337 222 Y C 0.395 176.160 175.900 -0.226 0.000 0.961 222 Y CA -1.184 56.717 58.100 -0.332 0.000 1.186 222 Y CB 0.699 38.895 38.460 -0.440 0.000 1.139 222 Y HN -0.024 nan 8.280 nan 0.000 0.494 223 D N 3.568 123.587 120.400 -0.634 0.000 2.339 223 D HA 0.098 4.738 4.640 0.001 0.000 0.217 223 D C -0.479 175.884 176.300 0.104 0.000 1.050 223 D CA 0.208 53.987 54.000 -0.368 0.000 0.856 223 D CB 0.029 40.707 40.800 -0.203 0.000 0.922 223 D HN 0.628 nan 8.370 nan 0.000 0.518 224 K N -2.660 117.757 120.400 0.027 0.000 2.711 224 K HA 0.553 4.873 4.320 0.001 0.000 0.294 224 K C -1.646 174.964 176.600 0.018 0.000 1.037 224 K CA -0.879 55.466 56.287 0.097 0.000 0.858 224 K CB 0.910 33.465 32.500 0.092 0.000 1.521 224 K HN -0.191 nan 8.250 nan 0.000 0.386 225 S N 0.916 116.642 115.700 0.042 0.000 2.594 225 S HA 0.655 5.126 4.470 0.001 0.000 0.296 225 S C -0.647 173.958 174.600 0.008 0.000 1.124 225 S CA -0.837 57.373 58.200 0.015 0.000 1.011 225 S CB 0.577 63.808 63.200 0.051 0.000 1.016 225 S HN 0.574 nan 8.310 nan 0.000 0.485 226 I N -0.452 120.101 120.570 -0.030 0.000 3.042 226 I HA 0.825 4.995 4.170 0.001 0.000 0.310 226 I C -1.331 174.843 176.117 0.096 0.000 1.117 226 I CA -1.270 60.042 61.300 0.019 0.000 1.003 226 I CB 1.942 39.865 38.000 -0.128 0.000 1.228 226 I HN 0.262 nan 8.210 nan 0.000 0.443 227 V N 2.403 122.441 119.914 0.206 0.000 2.334 227 V HA 0.403 4.523 4.120 0.001 0.000 0.281 227 V C -1.097 175.168 176.094 0.285 0.000 1.016 227 V CA 0.007 62.448 62.300 0.235 0.000 0.832 227 V CB 0.775 32.734 31.823 0.227 0.000 0.999 227 V HN 0.763 nan 8.190 nan 0.000 0.439 228 D N 2.980 123.499 120.400 0.197 0.000 2.421 228 D HA 0.247 4.888 4.640 0.001 0.000 0.254 228 D C 1.177 177.555 176.300 0.130 0.000 1.238 228 D CA -0.050 54.049 54.000 0.166 0.000 0.919 228 D CB 1.900 42.768 40.800 0.114 0.000 1.152 228 D HN 0.449 nan 8.370 nan 0.000 0.552 229 S N 1.481 117.249 115.700 0.113 0.000 2.500 229 S HA -0.042 4.428 4.470 0.001 0.000 0.239 229 S C 1.842 176.487 174.600 0.074 0.000 0.989 229 S CA 0.662 58.913 58.200 0.085 0.000 0.951 229 S CB -0.055 63.158 63.200 0.022 0.000 0.759 229 S HN 0.438 nan 8.310 nan 0.000 0.523 230 G N 0.330 109.158 108.800 0.048 0.000 2.985 230 G HA2 0.274 4.234 3.960 0.001 0.000 0.209 230 G HA3 0.274 4.234 3.960 0.001 0.000 0.209 230 G C 0.139 175.067 174.900 0.047 0.000 1.165 230 G CA 0.085 45.193 45.100 0.014 0.000 0.776 230 G HN 0.492 nan 8.290 nan 0.000 0.541 231 T N -0.089 114.508 114.554 0.072 0.000 2.807 231 T HA 0.384 4.734 4.350 0.001 0.000 0.279 231 T C 1.167 175.916 174.700 0.081 0.000 0.993 231 T CA -0.390 61.753 62.100 0.072 0.000 0.970 231 T CB 2.037 70.941 68.868 0.060 0.000 0.950 231 T HN -0.063 nan 8.240 nan 0.000 0.441 232 T N 2.877 117.474 114.554 0.071 0.000 2.770 232 T HA 0.005 4.356 4.350 0.001 0.000 0.263 232 T C 1.127 175.865 174.700 0.062 0.000 1.039 232 T CA 0.885 63.029 62.100 0.074 0.000 1.142 232 T CB -0.062 68.840 68.868 0.056 0.000 0.868 232 T HN 0.392 nan 8.240 nan 0.000 0.435 233 N N 1.022 119.743 118.700 0.036 0.000 2.379 233 N HA 0.390 5.131 4.740 0.001 0.000 0.260 233 N C -0.734 174.790 175.510 0.022 0.000 1.254 233 N CA -0.713 52.344 53.050 0.011 0.000 0.958 233 N CB 0.284 38.758 38.487 -0.022 0.000 1.208 233 N HN 0.099 nan 8.380 nan 0.000 0.532 234 L N 0.675 121.900 121.223 0.005 0.000 2.265 234 L HA 0.401 4.742 4.340 0.001 0.000 0.288 234 L C -0.470 176.407 176.870 0.011 0.000 1.058 234 L CA -0.002 54.847 54.840 0.015 0.000 0.809 234 L CB 0.130 42.196 42.059 0.010 0.000 1.179 234 L HN 0.376 nan 8.230 nan 0.000 0.429 235 R N 5.565 126.075 120.500 0.017 0.000 2.534 235 R HA 0.758 5.098 4.340 0.001 0.000 0.301 235 R C -1.414 174.908 176.300 0.036 0.000 0.961 235 R CA -0.674 55.435 56.100 0.015 0.000 0.871 235 R CB 1.685 31.971 30.300 -0.024 0.000 1.170 235 R HN 0.617 nan 8.270 nan 0.000 0.446 236 L N 3.400 124.676 121.223 0.088 0.000 2.370 236 L HA 0.564 4.905 4.340 0.001 0.000 0.266 236 L C -2.317 174.622 176.870 0.115 0.000 1.002 236 L CA -2.696 52.219 54.840 0.125 0.000 0.818 236 L CB 1.984 44.165 42.059 0.203 0.000 1.325 236 L HN 0.298 nan 8.230 nan 0.000 0.418 237 P HA -0.090 nan 4.420 nan 0.000 0.268 237 P C 0.283 177.671 177.300 0.148 0.000 1.189 237 P CA 0.140 63.301 63.100 0.102 0.000 0.771 237 P CB 0.650 32.440 31.700 0.149 0.000 0.822 238 K N 2.869 123.339 120.400 0.118 0.000 2.020 238 K HA -0.248 4.072 4.320 0.001 0.000 0.212 238 K C 1.674 178.379 176.600 0.176 0.000 1.050 238 K CA 1.967 58.341 56.287 0.145 0.000 0.929 238 K CB -0.204 32.352 32.500 0.094 0.000 0.714 238 K HN 0.251 nan 8.250 nan 0.000 0.443 239 K N 0.026 120.496 120.400 0.116 0.000 2.074 239 K HA -0.155 4.165 4.320 0.001 0.000 0.209 239 K C 2.013 178.668 176.600 0.092 0.000 1.048 239 K CA 1.773 58.103 56.287 0.073 0.000 0.926 239 K CB -0.059 32.448 32.500 0.011 0.000 0.713 239 K HN 0.033 nan 8.250 nan 0.000 0.444 240 V N 0.622 120.615 119.914 0.131 0.000 2.323 240 V HA -0.216 3.905 4.120 0.001 0.000 0.244 240 V C 1.910 178.101 176.094 0.161 0.000 1.041 240 V CA 1.629 64.028 62.300 0.165 0.000 1.025 240 V CB -0.549 31.413 31.823 0.232 0.000 0.656 240 V HN 0.243 nan 8.190 nan 0.000 0.451 241 F N 1.396 121.383 119.950 0.062 0.000 2.095 241 F HA -0.224 4.303 4.527 0.001 0.000 0.298 241 F C 2.379 178.210 175.800 0.053 0.000 1.104 241 F CA 2.269 60.306 58.000 0.062 0.000 1.232 241 F CB -0.223 38.815 39.000 0.064 0.000 0.987 241 F HN 0.186 nan 8.300 nan 0.000 0.475 242 E N 0.151 120.426 120.200 0.124 0.000 2.085 242 E HA -0.219 4.131 4.350 0.001 0.000 0.194 242 E C 2.373 178.905 176.600 -0.113 0.000 0.994 242 E CA 1.169 57.565 56.400 -0.006 0.000 0.801 242 E CB -0.444 29.307 29.700 0.084 0.000 0.743 242 E HN 0.528 nan 8.360 nan 0.000 0.453 243 A N 1.356 124.144 122.820 -0.054 0.000 1.858 243 A HA -0.135 4.186 4.320 0.001 0.000 0.216 243 A C 2.413 179.930 177.584 -0.111 0.000 1.190 243 A CA 1.782 53.784 52.037 -0.060 0.000 0.617 243 A CB -0.903 18.097 19.000 -0.000 0.000 0.827 243 A HN 0.311 nan 8.150 nan 0.000 0.443 244 A N -0.619 122.132 122.820 -0.116 0.000 1.892 244 A HA -0.085 4.236 4.320 0.001 0.000 0.218 244 A C 2.255 179.703 177.584 -0.226 0.000 1.188 244 A CA 2.086 54.040 52.037 -0.138 0.000 0.631 244 A CB -1.065 17.869 19.000 -0.109 0.000 0.822 244 A HN 0.451 nan 8.150 nan 0.000 0.447 245 V N 0.119 119.795 119.914 -0.397 0.000 2.358 245 V HA -0.253 3.867 4.120 0.001 0.000 0.246 245 V C 2.516 178.316 176.094 -0.491 0.000 1.047 245 V CA 2.314 64.307 62.300 -0.512 0.000 1.035 245 V CB -0.653 30.746 31.823 -0.707 0.000 0.658 245 V HN 0.697 nan 8.190 nan 0.000 0.452 246 K N 0.039 120.234 120.400 -0.341 0.000 2.020 246 K HA -0.250 4.071 4.320 0.001 0.000 0.212 246 K C 2.513 178.978 176.600 -0.226 0.000 1.050 246 K CA 2.065 58.193 56.287 -0.264 0.000 0.929 246 K CB -0.379 32.022 32.500 -0.165 0.000 0.714 246 K HN 0.405 nan 8.250 nan 0.000 0.443 247 S N 0.473 116.071 115.700 -0.169 0.000 2.356 247 S HA -0.098 4.372 4.470 0.001 0.000 0.223 247 S C 1.954 176.497 174.600 -0.094 0.000 1.032 247 S CA 1.301 59.437 58.200 -0.106 0.000 1.005 247 S CB -0.288 62.871 63.200 -0.069 0.000 0.867 247 S HN 0.370 nan 8.310 nan 0.000 0.449 248 I N 0.959 121.457 120.570 -0.121 0.000 2.361 248 I HA -0.172 3.999 4.170 0.001 0.000 0.251 248 I C 2.596 178.673 176.117 -0.066 0.000 1.133 248 I CA 1.176 62.469 61.300 -0.012 0.000 1.413 248 I CB -0.263 37.773 38.000 0.060 0.000 1.073 248 I HN 0.272 nan 8.210 nan 0.000 0.424 249 K N 0.924 121.096 120.400 -0.380 0.000 2.025 249 K HA -0.116 4.205 4.320 0.001 0.000 0.207 249 K C 2.350 178.888 176.600 -0.104 0.000 1.049 249 K CA 1.436 57.505 56.287 -0.365 0.000 0.933 249 K CB -0.270 31.882 32.500 -0.580 0.000 0.714 249 K HN 0.284 nan 8.250 nan 0.000 0.438 250 A N 1.540 124.293 122.820 -0.113 0.000 1.873 250 A HA -0.220 4.100 4.320 0.001 0.000 0.218 250 A C 2.365 179.937 177.584 -0.020 0.000 1.193 250 A CA 2.238 54.239 52.037 -0.060 0.000 0.629 250 A CB -1.033 17.931 19.000 -0.061 0.000 0.826 250 A HN 0.381 nan 8.150 nan 0.000 0.447 251 A N -0.285 122.539 122.820 0.005 0.000 2.076 251 A HA -0.029 4.291 4.320 0.001 0.000 0.220 251 A C 2.039 179.642 177.584 0.032 0.000 1.160 251 A CA 2.140 54.199 52.037 0.037 0.000 0.653 251 A CB -0.650 18.400 19.000 0.083 0.000 0.801 251 A HN 1.132 nan 8.150 nan 0.000 0.455 252 S N -0.811 114.918 115.700 0.047 0.000 2.602 252 S HA 0.132 4.603 4.470 0.001 0.000 0.240 252 S C 1.271 175.856 174.600 -0.026 0.000 0.992 252 S CA 0.517 58.707 58.200 -0.018 0.000 0.971 252 S CB -0.251 62.952 63.200 0.004 0.000 0.855 252 S HN 0.719 nan 8.310 nan 0.000 0.481 253 S N 2.260 117.944 115.700 -0.026 0.000 2.440 253 S HA -0.216 4.254 4.470 0.001 0.000 0.240 253 S C 1.911 176.453 174.600 -0.096 0.000 1.014 253 S CA 1.702 59.870 58.200 -0.053 0.000 0.980 253 S CB -1.701 61.472 63.200 -0.046 0.000 0.775 253 S HN 0.727 nan 8.310 nan 0.000 0.499 254 T N 0.468 114.965 114.554 -0.096 0.000 2.822 254 T HA -0.059 4.291 4.350 0.001 0.000 0.270 254 T C 0.544 175.159 174.700 -0.141 0.000 1.064 254 T CA 1.150 63.190 62.100 -0.100 0.000 1.131 254 T CB -0.431 68.387 68.868 -0.083 0.000 0.858 254 T HN 0.632 nan 8.240 nan 0.000 0.483 255 E N 0.331 120.395 120.200 -0.226 0.000 2.248 255 E HA 0.502 4.852 4.350 0.001 0.000 0.267 255 E C -1.056 175.097 176.600 -0.744 0.000 0.877 255 E CA -0.771 55.391 56.400 -0.397 0.000 0.759 255 E CB 2.025 31.539 29.700 -0.310 0.000 1.182 255 E HN 0.207 nan 8.360 nan 0.000 0.418 256 K N 2.209 122.207 120.400 -0.669 0.000 2.159 256 K HA 0.486 4.807 4.320 0.001 0.000 0.266 256 K C -1.052 175.123 176.600 -0.708 0.000 0.975 256 K CA -0.393 55.558 56.287 -0.560 0.000 0.865 256 K CB 0.991 33.362 32.500 -0.216 0.000 1.087 256 K HN 0.290 nan 8.250 nan 0.000 0.446 257 F N 2.609 122.598 119.950 0.065 0.000 2.546 257 F HA 0.361 4.889 4.527 0.001 0.000 0.320 257 F C -1.819 174.026 175.800 0.074 0.000 1.076 257 F CA -2.575 55.364 58.000 -0.101 0.000 0.928 257 F CB 1.225 39.913 39.000 -0.521 0.000 1.189 257 F HN 0.349 nan 8.300 nan 0.000 0.465 258 P HA 0.017 nan 4.420 nan 0.000 0.264 258 P C 0.044 177.525 177.300 0.302 0.000 1.193 258 P CA 0.071 63.289 63.100 0.197 0.000 0.763 258 P CB 0.818 32.592 31.700 0.123 0.000 0.810 259 D N 3.043 123.634 120.400 0.318 0.000 2.292 259 D HA -0.152 4.488 4.640 0.001 0.000 0.205 259 D C 2.049 178.538 176.300 0.315 0.000 0.994 259 D CA 1.784 56.012 54.000 0.380 0.000 0.897 259 D CB -0.514 40.433 40.800 0.245 0.000 0.907 259 D HN 0.619 nan 8.370 nan 0.000 0.467 260 G N -0.209 108.726 108.800 0.226 0.000 2.448 260 G HA2 -0.224 3.736 3.960 0.001 0.000 0.218 260 G HA3 -0.224 3.736 3.960 0.001 0.000 0.218 260 G C 1.384 176.384 174.900 0.166 0.000 1.135 260 G CA 0.148 45.352 45.100 0.172 0.000 0.784 260 G HN 0.326 nan 8.290 nan 0.000 0.543 261 F N 0.269 120.212 119.950 -0.013 0.000 2.163 261 F HA 0.050 4.577 4.527 0.001 0.000 0.297 261 F C 2.002 177.718 175.800 -0.141 0.000 1.094 261 F CA 0.843 58.745 58.000 -0.164 0.000 1.290 261 F CB -0.220 38.540 39.000 -0.400 0.000 1.017 261 F HN 0.186 nan 8.300 nan 0.000 0.483 262 W N 0.682 121.934 121.300 -0.080 0.000 2.961 262 W HA 0.085 4.745 4.660 0.001 0.000 0.240 262 W C 1.163 177.749 176.519 0.111 0.000 1.305 262 W CA 0.166 57.346 57.345 -0.276 0.000 1.465 262 W CB -0.230 29.160 29.460 -0.116 0.000 1.135 262 W HN 0.041 nan 8.180 nan 0.000 0.688 263 L N -0.378 121.012 121.223 0.278 0.000 2.766 263 L HA 0.399 4.739 4.340 0.001 0.000 0.242 263 L C 1.977 178.946 176.870 0.164 0.000 1.136 263 L CA 0.553 55.552 54.840 0.265 0.000 0.933 263 L CB -0.088 42.090 42.059 0.199 0.000 1.241 263 L HN 0.198 nan 8.230 nan 0.000 0.522 264 G N 1.310 110.180 108.800 0.117 0.000 2.498 264 G HA2 -0.378 3.583 3.960 0.001 0.000 0.229 264 G HA3 -0.378 3.583 3.960 0.001 0.000 0.229 264 G C 0.900 175.828 174.900 0.047 0.000 1.156 264 G CA 0.430 45.566 45.100 0.060 0.000 0.680 264 G HN 0.587 nan 8.290 nan 0.000 0.512 265 E N 1.104 121.340 120.200 0.060 0.000 2.516 265 E HA 0.001 4.351 4.350 0.001 0.000 0.206 265 E C 0.853 177.489 176.600 0.060 0.000 1.107 265 E CA 1.339 57.772 56.400 0.055 0.000 0.903 265 E CB 0.007 29.742 29.700 0.058 0.000 0.838 265 E HN 0.645 nan 8.360 nan 0.000 0.574 266 Q N 0.136 119.979 119.800 0.072 0.000 2.435 266 Q HA 0.427 4.768 4.340 0.001 0.000 0.282 266 Q C -1.368 174.712 176.000 0.134 0.000 1.020 266 Q CA -0.748 55.109 55.803 0.091 0.000 0.820 266 Q CB 1.701 30.504 28.738 0.108 0.000 1.436 266 Q HN 0.151 nan 8.270 nan 0.000 0.395 267 L N 1.203 122.486 121.223 0.100 0.000 2.431 267 L HA 0.742 5.083 4.340 0.001 0.000 0.260 267 L C -0.532 176.362 176.870 0.040 0.000 1.098 267 L CA -1.018 53.883 54.840 0.102 0.000 0.800 267 L CB 1.601 43.675 42.059 0.024 0.000 1.210 267 L HN 0.385 nan 8.230 nan 0.000 0.465 268 V N -0.288 119.598 119.914 -0.047 0.000 2.760 268 V HA 0.428 4.549 4.120 0.001 0.000 0.309 268 V C -0.766 175.087 176.094 -0.402 0.000 1.077 268 V CA -0.563 61.502 62.300 -0.391 0.000 0.910 268 V CB 2.047 33.385 31.823 -0.807 0.000 1.008 268 V HN 0.851 nan 8.190 nan 0.000 0.424 269 c N 3.577 121.818 118.600 -0.597 0.000 2.712 269 c HA 0.770 5.340 4.570 0.001 0.000 0.308 269 c C -0.972 172.789 174.090 -0.547 0.000 1.201 269 c CA -0.818 55.287 56.329 -0.373 0.000 1.554 269 c CB 1.863 44.258 42.510 -0.191 0.000 2.117 269 c HN 0.887 nan 8.230 nan 0.000 0.480 270 W N 0.647 121.965 121.300 0.029 0.000 3.033 270 W HA 0.400 5.060 4.660 0.001 0.000 0.336 270 W C -0.268 176.256 176.519 0.008 0.000 1.173 270 W CA -0.530 56.824 57.345 0.015 0.000 1.185 270 W CB 1.163 30.622 29.460 -0.000 0.000 1.425 270 W HN 0.690 nan 8.180 nan 0.000 0.536 271 Q N 1.353 121.291 119.800 0.229 0.000 2.304 271 Q HA 0.206 4.546 4.340 0.001 0.000 0.315 271 Q C 0.538 176.620 176.000 0.138 0.000 1.075 271 Q CA 0.249 56.133 55.803 0.136 0.000 0.988 271 Q CB 0.690 29.493 28.738 0.108 0.000 1.146 271 Q HN 0.428 nan 8.270 nan 0.000 0.383 272 A N 3.304 126.182 122.820 0.096 0.000 2.600 272 A HA 0.223 4.544 4.320 0.001 0.000 0.244 272 A C 1.252 178.890 177.584 0.091 0.000 1.016 272 A CA 0.881 52.971 52.037 0.089 0.000 0.778 272 A CB -0.718 18.317 19.000 0.058 0.000 0.920 272 A HN 1.302 nan 8.150 nan 0.000 0.513 273 G N 1.578 110.442 108.800 0.108 0.000 2.162 273 G HA2 -0.196 3.764 3.960 0.001 0.000 0.260 273 G HA3 -0.196 3.764 3.960 0.001 0.000 0.260 273 G C 0.743 175.685 174.900 0.069 0.000 0.976 273 G CA 1.270 46.429 45.100 0.099 0.000 0.655 273 G HN 2.367 nan 8.290 nan 0.000 0.533 274 T N -2.096 112.486 114.554 0.045 0.000 3.200 274 T HA 0.435 4.785 4.350 0.001 0.000 0.284 274 T C 0.689 175.238 174.700 -0.251 0.000 1.009 274 T CA 0.869 62.953 62.100 -0.028 0.000 0.907 274 T CB 0.324 69.218 68.868 0.043 0.000 1.120 274 T HN 0.356 nan 8.240 nan 0.000 0.534 275 T N 5.992 120.310 114.554 -0.394 0.000 2.792 275 T HA 0.191 4.541 4.350 0.001 0.000 0.286 275 T C -2.199 171.779 174.700 -1.204 0.000 0.970 275 T CA -0.639 60.807 62.100 -1.091 0.000 1.187 275 T CB 0.757 68.784 68.868 -1.403 0.000 0.915 275 T HN 0.238 nan 8.240 nan 0.000 0.529 276 P HA 0.069 nan 4.420 nan 0.000 0.231 276 P C 0.274 177.378 177.300 -0.327 0.000 1.756 276 P CA -0.230 62.501 63.100 -0.614 0.000 0.990 276 P CB -0.380 31.008 31.700 -0.520 0.000 1.973 277 W N 0.908 122.131 121.300 -0.128 0.000 2.305 277 W HA -0.223 4.437 4.660 0.001 0.000 0.308 277 W C 2.016 178.599 176.519 0.107 0.000 1.226 277 W CA 0.625 57.967 57.345 -0.005 0.000 1.253 277 W CB -1.295 28.136 29.460 -0.048 0.000 1.146 277 W HN 0.167 nan 8.180 nan 0.000 0.507 278 N N 0.814 119.666 118.700 0.253 0.000 2.205 278 N HA -0.180 4.561 4.740 0.001 0.000 0.186 278 N C 1.662 177.231 175.510 0.099 0.000 1.015 278 N CA 1.887 55.028 53.050 0.152 0.000 0.862 278 N CB -0.994 37.524 38.487 0.053 0.000 0.986 278 N HN 0.402 nan 8.380 nan 0.000 0.429 279 I N -2.774 117.805 120.570 0.016 0.000 2.830 279 I HA 0.004 4.174 4.170 0.001 0.000 0.263 279 I C -0.251 175.801 176.117 -0.108 0.000 1.230 279 I CA 0.467 61.708 61.300 -0.099 0.000 1.480 279 I CB -0.307 37.558 38.000 -0.225 0.000 1.095 279 I HN -0.257 nan 8.210 nan 0.000 0.455 280 F N 3.658 123.715 119.950 0.178 0.000 2.385 280 F HA 0.534 5.062 4.527 0.001 0.000 0.336 280 F C -1.939 174.029 175.800 0.279 0.000 1.100 280 F CA -2.687 55.485 58.000 0.287 0.000 1.116 280 F CB 0.413 39.604 39.000 0.318 0.000 1.166 280 F HN -0.098 nan 8.300 nan 0.000 0.511 281 P HA 0.256 nan 4.420 nan 0.000 0.278 281 P C -0.879 176.655 177.300 0.389 0.000 1.266 281 P CA -0.349 62.953 63.100 0.336 0.000 0.807 281 P CB 1.452 33.297 31.700 0.242 0.000 1.094 282 V N -1.461 118.606 119.914 0.254 0.000 2.743 282 V HA 0.531 4.651 4.120 0.001 0.000 0.301 282 V C 0.068 176.267 176.094 0.175 0.000 1.057 282 V CA -0.670 61.769 62.300 0.231 0.000 1.006 282 V CB 0.559 32.465 31.823 0.138 0.000 1.024 282 V HN 0.279 nan 8.190 nan 0.000 0.473 283 I N 2.696 123.362 120.570 0.159 0.000 2.389 283 I HA 0.461 4.631 4.170 0.001 0.000 0.288 283 I C -0.049 176.075 176.117 0.011 0.000 0.999 283 I CA -0.114 61.223 61.300 0.062 0.000 1.129 283 I CB 1.852 39.871 38.000 0.031 0.000 1.288 283 I HN 0.687 nan 8.210 nan 0.000 0.444 284 S N 7.076 122.748 115.700 -0.045 0.000 2.475 284 S HA 0.668 5.138 4.470 0.001 0.000 0.298 284 S C -0.417 174.077 174.600 -0.177 0.000 1.119 284 S CA -0.642 57.477 58.200 -0.134 0.000 1.085 284 S CB 1.499 64.595 63.200 -0.173 0.000 1.028 284 S HN 0.363 nan 8.310 nan 0.000 0.489 285 L N 3.369 124.423 121.223 -0.281 0.000 2.325 285 L HA 0.469 4.809 4.340 0.001 0.000 0.281 285 L C -1.346 175.268 176.870 -0.428 0.000 1.004 285 L CA -0.799 53.857 54.840 -0.307 0.000 0.823 285 L CB 0.764 42.629 42.059 -0.323 0.000 1.236 285 L HN 0.621 nan 8.230 nan 0.000 0.415 286 Y N 3.909 123.954 120.300 -0.426 0.000 2.336 286 Y HA 0.396 4.946 4.550 0.001 0.000 0.335 286 Y C 0.225 175.831 175.900 -0.490 0.000 1.046 286 Y CA -0.131 57.694 58.100 -0.459 0.000 1.198 286 Y CB 0.838 39.069 38.460 -0.381 0.000 1.182 286 Y HN 0.373 nan 8.280 nan 0.000 0.502 287 L N 4.444 125.281 121.223 -0.644 0.000 2.331 287 L HA 0.444 4.784 4.340 0.001 0.000 0.275 287 L C 0.213 176.819 176.870 -0.441 0.000 1.022 287 L CA -1.068 53.398 54.840 -0.624 0.000 0.812 287 L CB 1.522 43.017 42.059 -0.941 0.000 1.257 287 L HN 0.622 nan 8.230 nan 0.000 0.435 288 M N 1.778 121.276 119.600 -0.169 0.000 2.260 288 M HA 0.155 4.635 4.480 0.001 0.000 0.348 288 M C 0.484 176.836 176.300 0.087 0.000 1.342 288 M CA 0.277 55.569 55.300 -0.013 0.000 1.040 288 M CB 0.557 33.184 32.600 0.046 0.000 1.810 288 M HN 0.691 nan 8.290 nan 0.000 0.453 289 G N 3.402 112.317 108.800 0.191 0.000 2.588 289 G HA2 0.176 4.136 3.960 0.001 0.000 0.281 289 G HA3 0.176 4.136 3.960 0.001 0.000 0.281 289 G C 0.208 175.282 174.900 0.290 0.000 1.236 289 G CA -0.451 44.879 45.100 0.383 0.000 0.969 289 G HN 0.872 nan 8.290 nan 0.000 0.504 290 E N -1.297 119.082 120.200 0.299 0.000 2.299 290 E HA 0.016 4.367 4.350 0.001 0.000 0.193 290 E C 0.598 177.283 176.600 0.141 0.000 0.998 290 E CA 0.199 56.714 56.400 0.190 0.000 0.851 290 E CB 0.454 30.247 29.700 0.156 0.000 0.795 290 E HN 0.076 nan 8.360 nan 0.000 0.492 291 V N 2.299 122.311 119.914 0.164 0.000 2.539 291 V HA 0.067 4.188 4.120 0.001 0.000 0.292 291 V C 0.210 176.375 176.094 0.118 0.000 1.045 291 V CA -0.391 61.983 62.300 0.124 0.000 0.945 291 V CB 1.694 33.594 31.823 0.127 0.000 0.993 291 V HN 0.090 nan 8.190 nan 0.000 0.464 292 T N 5.327 119.933 114.554 0.087 0.000 2.908 292 T HA 0.055 4.406 4.350 0.001 0.000 0.301 292 T C 0.846 175.595 174.700 0.081 0.000 1.019 292 T CA 0.162 62.308 62.100 0.076 0.000 1.152 292 T CB -0.197 68.706 68.868 0.057 0.000 0.966 292 T HN 0.808 nan 8.240 nan 0.000 0.540 293 N N 0.562 119.310 118.700 0.079 0.000 2.800 293 N HA -0.170 4.571 4.740 0.001 0.000 0.250 293 N C -0.090 175.480 175.510 0.100 0.000 1.078 293 N CA 1.178 54.274 53.050 0.077 0.000 0.804 293 N CB -0.834 37.690 38.487 0.062 0.000 1.135 293 N HN 0.947 nan 8.380 nan 0.000 0.565 294 Q N 0.541 120.418 119.800 0.129 0.000 2.321 294 Q HA 0.572 4.912 4.340 0.001 0.000 0.270 294 Q C -0.512 175.615 176.000 0.211 0.000 1.032 294 Q CA -0.511 55.395 55.803 0.171 0.000 0.784 294 Q CB 1.546 30.395 28.738 0.186 0.000 1.264 294 Q HN 0.244 nan 8.270 nan 0.000 0.448 295 S N 2.874 118.710 115.700 0.227 0.000 2.759 295 S HA 0.886 5.357 4.470 0.001 0.000 0.310 295 S C -0.577 174.192 174.600 0.282 0.000 1.123 295 S CA -0.698 57.623 58.200 0.203 0.000 0.959 295 S CB 0.992 64.275 63.200 0.138 0.000 1.172 295 S HN 0.648 nan 8.310 nan 0.000 0.539 296 F N -1.413 118.552 119.950 0.026 0.000 2.626 296 F HA 0.853 5.381 4.527 0.001 0.000 0.311 296 F C -0.732 174.871 175.800 -0.329 0.000 1.088 296 F CA -1.311 56.561 58.000 -0.214 0.000 0.949 296 F CB 1.392 40.004 39.000 -0.647 0.000 1.322 296 F HN 0.906 nan 8.300 nan 0.000 0.461 297 R N 2.673 122.947 120.500 -0.376 0.000 2.711 297 R HA 0.866 5.206 4.340 0.001 0.000 0.284 297 R C -1.329 174.703 176.300 -0.446 0.000 0.968 297 R CA -0.965 54.672 56.100 -0.771 0.000 0.924 297 R CB 2.380 31.745 30.300 -1.558 0.000 1.162 297 R HN 0.970 nan 8.270 nan 0.000 0.465 298 I N -0.778 119.484 120.570 -0.514 0.000 2.433 298 I HA 0.510 4.681 4.170 0.001 0.000 0.292 298 I C -1.083 174.928 176.117 -0.175 0.000 1.001 298 I CA -0.707 60.343 61.300 -0.416 0.000 1.119 298 I CB 2.495 39.902 38.000 -0.989 0.000 1.289 298 I HN 0.533 nan 8.210 nan 0.000 0.438 299 T N 7.561 122.153 114.554 0.063 0.000 2.797 299 T HA 0.663 5.013 4.350 0.001 0.000 0.279 299 T C -0.066 174.737 174.700 0.173 0.000 0.991 299 T CA -0.444 61.698 62.100 0.070 0.000 0.979 299 T CB 1.554 70.428 68.868 0.010 0.000 0.943 299 T HN 0.664 nan 8.240 nan 0.000 0.444 300 I N 0.433 121.087 120.570 0.140 0.000 2.910 300 I HA 0.754 4.924 4.170 0.001 0.000 0.310 300 I C -1.065 175.111 176.117 0.100 0.000 1.043 300 I CA -1.470 59.871 61.300 0.068 0.000 1.053 300 I CB 1.356 39.426 38.000 0.116 0.000 1.242 300 I HN 0.427 nan 8.210 nan 0.000 0.452 301 L N 2.325 123.556 121.223 0.013 0.000 2.332 301 L HA 0.549 4.890 4.340 0.001 0.000 0.269 301 L C -1.567 175.172 176.870 -0.219 0.000 1.016 301 L CA -1.729 53.104 54.840 -0.013 0.000 0.809 301 L CB 1.216 43.223 42.059 -0.086 0.000 1.280 301 L HN 0.428 nan 8.230 nan 0.000 0.447 302 P HA -0.192 nan 4.420 nan 0.000 0.218 302 P C 0.975 177.895 177.300 -0.633 0.000 1.146 302 P CA 1.256 63.726 63.100 -1.049 0.000 0.813 302 P CB 0.267 31.793 31.700 -0.289 0.000 0.778 303 Q N -0.520 118.954 119.800 -0.543 0.000 2.297 303 Q HA -0.184 4.157 4.340 0.001 0.000 0.208 303 Q C 2.299 178.130 176.000 -0.283 0.000 0.981 303 Q CA 1.564 56.987 55.803 -0.634 0.000 0.876 303 Q CB -0.537 27.717 28.738 -0.806 0.000 0.921 303 Q HN 0.322 nan 8.270 nan 0.000 0.446 304 Q N -1.621 118.037 119.800 -0.236 0.000 2.165 304 Q HA -0.050 4.290 4.340 0.001 0.000 0.197 304 Q C 1.173 177.168 176.000 -0.009 0.000 0.952 304 Q CA 1.034 56.787 55.803 -0.083 0.000 0.848 304 Q CB 0.085 28.802 28.738 -0.035 0.000 0.931 304 Q HN 0.697 nan 8.270 nan 0.000 0.470 305 Y N -1.808 118.491 120.300 -0.002 0.000 2.466 305 Y HA 0.412 4.963 4.550 0.001 0.000 0.272 305 Y C -0.190 175.689 175.900 -0.035 0.000 1.169 305 Y CA -0.303 57.771 58.100 -0.043 0.000 1.285 305 Y CB -0.018 38.403 38.460 -0.065 0.000 1.078 305 Y HN -0.172 nan 8.280 nan 0.000 0.523 306 L N 3.123 124.290 121.223 -0.093 0.000 2.321 306 L HA 0.413 4.754 4.340 0.001 0.000 0.272 306 L C -0.004 177.002 176.870 0.226 0.000 1.050 306 L CA -0.412 54.454 54.840 0.044 0.000 0.893 306 L CB 0.658 42.603 42.059 -0.191 0.000 1.272 306 L HN 0.076 nan 8.230 nan 0.000 0.435 307 R N 4.330 124.961 120.500 0.218 0.000 2.421 307 R HA 0.156 4.496 4.340 0.001 0.000 0.305 307 R C -2.164 174.317 176.300 0.301 0.000 1.039 307 R CA -1.448 54.783 56.100 0.218 0.000 1.003 307 R CB 0.546 30.917 30.300 0.119 0.000 0.959 307 R HN 0.252 nan 8.270 nan 0.000 0.427 308 P HA 0.028 nan 4.420 nan 0.000 0.271 308 P C -0.403 176.876 177.300 -0.035 0.000 1.220 308 P CA 0.054 63.164 63.100 0.016 0.000 0.768 308 P CB 1.090 32.825 31.700 0.059 0.000 0.848 316 Q N 0.335 120.133 119.800 -0.004 0.000 2.225 316 Q HA 0.290 4.630 4.340 0.001 0.000 0.259 316 Q C -1.090 174.918 176.000 0.014 0.000 0.872 316 Q CA -0.096 55.710 55.803 0.005 0.000 1.042 316 Q CB 0.209 28.953 28.738 0.010 0.000 1.142 316 Q HN 0.396 nan 8.270 nan 0.000 0.463 317 D N 0.325 120.727 120.400 0.004 0.000 2.340 317 D HA 0.240 4.880 4.640 0.001 0.000 0.243 317 D C -0.739 175.563 176.300 0.003 0.000 0.988 317 D CA -0.419 53.592 54.000 0.019 0.000 0.959 317 D CB 1.264 42.064 40.800 -0.000 0.000 1.226 317 D HN -0.114 nan 8.370 nan 0.000 0.509 318 D N 0.494 120.923 120.400 0.048 0.000 2.373 318 D HA 0.291 4.932 4.640 0.001 0.000 0.227 318 D C -0.546 175.671 176.300 -0.138 0.000 1.091 318 D CA -0.123 53.857 54.000 -0.033 0.000 0.840 318 D CB 0.633 41.523 40.800 0.149 0.000 1.060 318 D HN 0.159 nan 8.370 nan 0.000 0.502 319 c N 2.851 121.214 118.600 -0.395 0.000 2.435 319 c HA 0.645 5.216 4.570 0.001 0.000 0.333 319 c C -0.562 173.195 174.090 -0.556 0.000 1.202 319 c CA -0.706 55.439 56.329 -0.306 0.000 1.830 319 c CB 0.003 42.421 42.510 -0.153 0.000 2.326 319 c HN 0.523 nan 8.230 nan 0.000 0.507 320 Y N 0.315 120.661 120.300 0.077 0.000 2.588 320 Y HA 0.605 5.156 4.550 0.001 0.000 0.343 320 Y C -0.168 175.813 175.900 0.135 0.000 1.065 320 Y CA -0.984 57.187 58.100 0.117 0.000 1.038 320 Y CB 1.325 39.881 38.460 0.161 0.000 1.297 320 Y HN 0.587 nan 8.280 nan 0.000 0.467 321 K N 1.581 122.147 120.400 0.276 0.000 2.270 321 K HA 0.478 4.799 4.320 0.001 0.000 0.255 321 K C -1.475 175.197 176.600 0.120 0.000 0.936 321 K CA -0.653 55.733 56.287 0.166 0.000 0.809 321 K CB 1.028 33.581 32.500 0.089 0.000 1.131 321 K HN 0.583 nan 8.250 nan 0.000 0.427 322 F N 3.984 123.752 119.950 -0.303 0.000 2.538 322 F HA 0.186 4.714 4.527 0.001 0.000 0.382 322 F C 0.446 176.205 175.800 -0.069 0.000 1.069 322 F CA 0.036 57.826 58.000 -0.350 0.000 1.138 322 F CB 0.501 38.963 39.000 -0.897 0.000 1.068 322 F HN 0.721 nan 8.300 nan 0.000 0.556 323 A N 7.482 130.106 122.820 -0.326 0.000 2.415 323 A HA 0.326 4.647 4.320 0.001 0.000 0.248 323 A C 0.425 177.806 177.584 -0.337 0.000 1.299 323 A CA -0.195 51.711 52.037 -0.219 0.000 0.899 323 A CB -0.908 18.066 19.000 -0.043 0.000 0.997 323 A HN 0.619 nan 8.150 nan 0.000 0.506 324 I N 1.404 121.493 120.570 -0.801 0.000 2.354 324 I HA 0.383 4.553 4.170 0.001 0.000 0.292 324 I C 0.164 176.264 176.117 -0.028 0.000 0.989 324 I CA -0.297 60.721 61.300 -0.469 0.000 1.188 324 I CB 1.934 39.560 38.000 -0.623 0.000 1.342 324 I HN 0.295 nan 8.210 nan 0.000 0.457 325 S N 4.664 120.421 115.700 0.096 0.000 2.618 325 S HA 0.399 4.869 4.470 0.001 0.000 0.277 325 S C -0.904 173.482 174.600 -0.356 0.000 1.138 325 S CA -0.930 57.223 58.200 -0.078 0.000 0.844 325 S CB 1.913 65.043 63.200 -0.116 0.000 1.127 325 S HN 0.642 nan 8.310 nan 0.000 0.474 326 Q N 0.758 119.984 119.800 -0.957 0.000 2.364 326 Q HA 0.477 4.817 4.340 0.001 0.000 0.267 326 Q C -0.482 175.352 176.000 -0.275 0.000 0.999 326 Q CA -0.005 55.376 55.803 -0.704 0.000 0.886 326 Q CB 0.768 29.038 28.738 -0.780 0.000 1.243 326 Q HN 0.749 nan 8.270 nan 0.000 0.415 327 S N 0.901 116.515 115.700 -0.142 0.000 2.599 327 S HA 0.459 4.930 4.470 0.001 0.000 0.294 327 S C 0.030 174.580 174.600 -0.083 0.000 1.094 327 S CA -0.148 57.994 58.200 -0.097 0.000 0.931 327 S CB 1.604 64.763 63.200 -0.069 0.000 1.093 327 S HN 0.732 nan 8.310 nan 0.000 0.488 328 S N 0.476 116.122 115.700 -0.089 0.000 2.559 328 S HA 0.084 4.555 4.470 0.001 0.000 0.226 328 S C 0.954 175.470 174.600 -0.140 0.000 1.030 328 S CA 0.474 58.617 58.200 -0.095 0.000 0.956 328 S CB -0.138 63.022 63.200 -0.066 0.000 0.900 328 S HN 0.851 nan 8.310 nan 0.000 0.510 329 T N -0.511 113.965 114.554 -0.129 0.000 3.243 329 T HA 0.603 4.954 4.350 0.001 0.000 0.264 329 T C 0.946 175.534 174.700 -0.186 0.000 1.000 329 T CA 0.161 62.171 62.100 -0.149 0.000 0.901 329 T CB -0.322 68.477 68.868 -0.116 0.000 1.083 329 T HN 1.190 nan 8.240 nan 0.000 0.559 330 G N 1.093 109.781 108.800 -0.187 0.000 2.660 330 G HA2 -0.089 3.872 3.960 0.001 0.000 0.247 330 G HA3 -0.089 3.872 3.960 0.001 0.000 0.247 330 G C -0.440 174.410 174.900 -0.085 0.000 1.328 330 G CA -0.654 44.355 45.100 -0.151 0.000 0.884 330 G HN 0.504 nan 8.290 nan 0.000 0.531 331 T N 0.379 114.908 114.554 -0.041 0.000 2.814 331 T HA 0.479 4.829 4.350 0.001 0.000 0.297 331 T C 0.386 175.062 174.700 -0.040 0.000 0.956 331 T CA 0.054 62.147 62.100 -0.012 0.000 1.123 331 T CB 1.310 70.193 68.868 0.025 0.000 0.902 331 T HN 1.054 nan 8.240 nan 0.000 0.528 332 V N 5.574 125.472 119.914 -0.027 0.000 2.313 332 V HA 0.282 4.403 4.120 0.001 0.000 0.278 332 V C 0.211 176.317 176.094 0.020 0.000 1.017 332 V CA -0.642 61.646 62.300 -0.020 0.000 0.823 332 V CB 1.069 32.876 31.823 -0.027 0.000 1.010 332 V HN 0.923 nan 8.190 nan 0.000 0.443 333 M N 4.789 124.415 119.600 0.043 0.000 3.011 333 M HA 0.306 4.786 4.480 0.001 0.000 0.292 333 M C 1.082 177.446 176.300 0.107 0.000 1.440 333 M CA 0.227 55.572 55.300 0.074 0.000 1.552 333 M CB 0.132 32.784 32.600 0.086 0.000 1.187 333 M HN 0.803 nan 8.290 nan 0.000 0.520 334 G N 0.622 109.477 108.800 0.091 0.000 2.504 334 G HA2 0.444 4.404 3.960 0.001 0.000 0.257 334 G HA3 0.444 4.404 3.960 0.001 0.000 0.257 334 G C 0.939 175.915 174.900 0.127 0.000 1.451 334 G CA 0.067 45.230 45.100 0.104 0.000 1.059 334 G HN 0.662 nan 8.290 nan 0.000 0.550 335 A N -1.483 121.417 122.820 0.133 0.000 1.978 335 A HA -0.018 4.303 4.320 0.001 0.000 0.220 335 A C 2.528 180.194 177.584 0.136 0.000 1.170 335 A CA 1.962 54.093 52.037 0.158 0.000 0.636 335 A CB -0.701 18.432 19.000 0.221 0.000 0.810 335 A HN 0.469 nan 8.150 nan 0.000 0.448 336 V N 0.295 120.277 119.914 0.113 0.000 2.332 336 V HA -0.275 3.846 4.120 0.001 0.000 0.248 336 V C 2.408 178.576 176.094 0.122 0.000 1.055 336 V CA 1.955 64.317 62.300 0.103 0.000 1.038 336 V CB -0.517 31.357 31.823 0.086 0.000 0.651 336 V HN 0.546 nan 8.190 nan 0.000 0.450 337 I N -0.943 119.721 120.570 0.156 0.000 2.235 337 I HA -0.151 4.020 4.170 0.001 0.000 0.241 337 I C 2.392 178.711 176.117 0.336 0.000 1.085 337 I CA 1.671 63.120 61.300 0.249 0.000 1.378 337 I CB -0.802 37.325 38.000 0.212 0.000 1.076 337 I HN 0.300 nan 8.210 nan 0.000 0.415 338 M N 0.074 119.827 119.600 0.256 0.000 2.279 338 M HA -0.184 4.296 4.480 0.001 0.000 0.264 338 M C 1.632 178.018 176.300 0.143 0.000 1.062 338 M CA 1.422 56.868 55.300 0.243 0.000 1.099 338 M CB -0.447 32.243 32.600 0.151 0.000 1.394 338 M HN 0.210 nan 8.290 nan 0.000 0.426 339 E N -0.270 119.975 120.200 0.075 0.000 2.511 339 E HA -0.034 4.316 4.350 0.001 0.000 0.196 339 E C 1.782 178.328 176.600 -0.091 0.000 1.066 339 E CA 0.341 56.750 56.400 0.015 0.000 0.871 339 E CB 0.009 29.742 29.700 0.056 0.000 0.863 339 E HN 0.576 nan 8.360 nan 0.000 0.520 340 G N -0.024 108.584 108.800 -0.321 0.000 2.921 340 G HA2 0.123 4.084 3.960 0.001 0.000 0.213 340 G HA3 0.123 4.084 3.960 0.001 0.000 0.213 340 G C 0.127 174.392 174.900 -1.057 0.000 1.143 340 G CA -0.135 44.443 45.100 -0.870 0.000 0.764 340 G HN -0.008 nan 8.290 nan 0.000 0.542 341 F N -1.948 118.030 119.950 0.047 0.000 2.613 341 F HA 0.467 4.994 4.527 0.001 0.000 0.314 341 F C -1.007 174.854 175.800 0.102 0.000 1.075 341 F CA -1.764 56.286 58.000 0.083 0.000 0.945 341 F CB 1.483 40.581 39.000 0.163 0.000 1.310 341 F HN -0.115 nan 8.300 nan 0.000 0.467 342 Y N 2.536 122.910 120.300 0.124 0.000 2.425 342 Y HA 0.583 5.133 4.550 0.001 0.000 0.347 342 Y C -0.815 174.950 175.900 -0.225 0.000 0.976 342 Y CA -1.273 56.801 58.100 -0.044 0.000 1.190 342 Y CB 0.444 38.870 38.460 -0.057 0.000 1.136 342 Y HN 0.308 nan 8.280 nan 0.000 0.517 343 V N 7.619 127.229 119.914 -0.506 0.000 2.370 343 V HA 0.304 4.425 4.120 0.001 0.000 0.279 343 V C -0.455 175.028 176.094 -1.018 0.000 1.029 343 V CA -0.907 60.871 62.300 -0.869 0.000 0.870 343 V CB 1.221 32.584 31.823 -0.767 0.000 0.984 343 V HN 0.515 nan 8.190 nan 0.000 0.451 344 V N 5.921 125.166 119.914 -1.115 0.000 2.350 344 V HA 0.395 4.515 4.120 0.001 0.000 0.276 344 V C -0.306 175.239 176.094 -0.915 0.000 1.028 344 V CA -0.342 61.435 62.300 -0.872 0.000 0.860 344 V CB 0.979 32.416 31.823 -0.644 0.000 0.990 344 V HN 0.704 nan 8.190 nan 0.000 0.453 345 F N 2.851 122.238 119.950 -0.938 0.000 2.451 345 F HA 0.262 4.790 4.527 0.001 0.000 0.356 345 F C 0.883 176.303 175.800 -0.633 0.000 1.178 345 F CA -0.401 56.995 58.000 -1.007 0.000 1.210 345 F CB 0.359 38.220 39.000 -1.898 0.000 1.504 345 F HN 0.430 nan 8.300 nan 0.000 0.598 346 D N 2.972 123.245 120.400 -0.212 0.000 2.551 346 D HA 0.085 4.725 4.640 0.001 0.000 0.223 346 D C 1.453 177.771 176.300 0.031 0.000 1.144 346 D CA 0.131 54.085 54.000 -0.076 0.000 1.025 346 D CB 0.188 40.952 40.800 -0.060 0.000 1.085 346 D HN 0.435 nan 8.370 nan 0.000 0.506 347 R N 1.396 121.951 120.500 0.092 0.000 2.091 347 R HA -0.134 4.206 4.340 0.001 0.000 0.238 347 R C 2.184 178.595 176.300 0.185 0.000 1.136 347 R CA 1.515 57.762 56.100 0.246 0.000 0.959 347 R CB -0.148 30.337 30.300 0.310 0.000 0.856 347 R HN 0.347 nan 8.270 nan 0.000 0.437 348 A N 1.130 124.030 122.820 0.133 0.000 1.948 348 A HA -0.191 4.130 4.320 0.001 0.000 0.220 348 A C 1.709 179.324 177.584 0.051 0.000 1.177 348 A CA 1.530 53.624 52.037 0.095 0.000 0.636 348 A CB -0.246 18.797 19.000 0.072 0.000 0.815 348 A HN 0.262 nan 8.150 nan 0.000 0.449 349 R N -2.000 118.511 120.500 0.020 0.000 2.577 349 R HA 0.235 4.575 4.340 0.001 0.000 0.344 349 R C -0.087 176.219 176.300 0.010 0.000 1.037 349 R CA 0.074 56.162 56.100 -0.020 0.000 1.102 349 R CB 0.181 30.416 30.300 -0.109 0.000 1.313 349 R HN 0.453 nan 8.270 nan 0.000 0.561 350 K N 2.060 122.502 120.400 0.071 0.000 3.278 350 K HA -0.236 4.085 4.320 0.001 0.000 0.270 350 K C -1.027 175.637 176.600 0.107 0.000 0.955 350 K CA 0.894 57.245 56.287 0.108 0.000 0.723 350 K CB -0.647 31.895 32.500 0.070 0.000 1.382 350 K HN 0.457 nan 8.250 nan 0.000 0.461 351 R N -0.544 120.016 120.500 0.101 0.000 2.734 351 R HA 0.621 4.962 4.340 0.001 0.000 0.271 351 R C -0.914 175.439 176.300 0.088 0.000 1.021 351 R CA -1.165 55.008 56.100 0.121 0.000 0.893 351 R CB 1.123 31.478 30.300 0.092 0.000 1.244 351 R HN 0.056 nan 8.270 nan 0.000 0.464 352 I N 1.054 121.669 120.570 0.075 0.000 2.436 352 I HA 0.430 4.601 4.170 0.001 0.000 0.289 352 I C 0.117 176.045 176.117 -0.315 0.000 1.010 352 I CA -0.925 60.221 61.300 -0.257 0.000 1.098 352 I CB 2.285 40.037 38.000 -0.413 0.000 1.266 352 I HN 0.872 nan 8.210 nan 0.000 0.434 353 G N 5.449 113.819 108.800 -0.717 0.000 2.367 353 G HA2 0.659 4.620 3.960 0.001 0.000 0.314 353 G HA3 0.659 4.620 3.960 0.001 0.000 0.314 353 G C -1.230 173.019 174.900 -1.085 0.000 1.130 353 G CA -0.174 44.212 45.100 -1.191 0.000 0.864 353 G HN 0.350 nan 8.290 nan 0.000 0.486 354 F N 0.739 120.316 119.950 -0.621 0.000 2.529 354 F HA 0.703 5.230 4.527 0.001 0.000 0.320 354 F C 0.401 176.012 175.800 -0.315 0.000 1.118 354 F CA -0.499 57.252 58.000 -0.415 0.000 0.915 354 F CB 2.742 41.535 39.000 -0.344 0.000 1.161 354 F HN 0.707 nan 8.300 nan 0.000 0.445 355 A N 1.759 124.591 122.820 0.020 0.000 2.539 355 A HA 0.737 5.057 4.320 0.001 0.000 0.296 355 A C -1.226 176.566 177.584 0.347 0.000 1.073 355 A CA -0.862 51.252 52.037 0.127 0.000 0.700 355 A CB 1.093 20.042 19.000 -0.086 0.000 1.296 355 A HN 0.462 nan 8.150 nan 0.000 0.405 356 V N 1.641 121.754 119.914 0.331 0.000 2.644 356 V HA 0.157 4.277 4.120 0.001 0.000 0.305 356 V C 1.246 177.484 176.094 0.240 0.000 1.053 356 V CA 0.729 63.169 62.300 0.234 0.000 1.186 356 V CB 1.062 32.969 31.823 0.140 0.000 0.895 356 V HN 0.950 nan 8.190 nan 0.000 0.490 357 S N 3.912 119.704 115.700 0.153 0.000 2.548 357 S HA 0.426 4.897 4.470 0.001 0.000 0.277 357 S C 1.157 175.891 174.600 0.223 0.000 1.315 357 S CA -0.182 58.137 58.200 0.198 0.000 1.050 357 S CB 1.318 64.597 63.200 0.132 0.000 0.918 357 S HN 1.003 nan 8.310 nan 0.000 0.497 358 A N 3.178 126.062 122.820 0.107 0.000 2.209 358 A HA 0.041 4.361 4.320 0.001 0.000 0.212 358 A C 1.823 179.413 177.584 0.010 0.000 1.158 358 A CA 0.969 53.029 52.037 0.038 0.000 0.742 358 A CB -1.034 17.947 19.000 -0.032 0.000 0.790 358 A HN 1.234 nan 8.150 nan 0.000 0.472 359 c N -1.186 117.431 118.600 0.028 0.000 3.336 359 c HA 0.330 4.900 4.570 0.001 0.000 0.291 359 c C 0.918 174.999 174.090 -0.014 0.000 1.363 359 c CA -0.153 56.169 56.329 -0.011 0.000 1.737 359 c CB -1.732 40.774 42.510 -0.007 0.000 2.274 359 c HN 0.674 nan 8.230 nan 0.000 0.663 360 H N 1.021 120.080 119.070 -0.018 0.000 2.790 360 H HA 0.456 5.012 4.556 0.001 0.000 0.358 360 H C -0.774 174.552 175.328 -0.003 0.000 1.103 360 H CA 0.151 56.172 56.048 -0.045 0.000 1.426 360 H CB 0.859 30.548 29.762 -0.123 0.000 1.424 360 H HN 0.169 nan 8.280 nan 0.000 0.599 361 V N 5.364 125.234 119.914 -0.073 0.000 2.530 361 V HA 0.200 4.321 4.120 0.001 0.000 0.282 361 V C 0.076 176.070 176.094 -0.167 0.000 1.048 361 V CA 0.192 62.367 62.300 -0.209 0.000 0.997 361 V CB -0.014 31.699 31.823 -0.184 0.000 0.987 361 V HN 1.071 nan 8.190 nan 0.000 0.477 362 H N 1.574 120.431 119.070 -0.355 0.000 2.918 362 H HA 0.764 5.320 4.556 0.001 0.000 0.303 362 H C -1.121 174.016 175.328 -0.318 0.000 1.380 362 H CA -1.081 54.781 56.048 -0.310 0.000 1.134 362 H CB 1.111 30.772 29.762 -0.168 0.000 1.842 362 H HN 0.560 nan 8.280 nan 0.000 0.533 363 D N -1.398 118.917 120.400 -0.142 0.000 2.616 363 D HA 0.149 4.789 4.640 0.001 0.000 0.260 363 D C 0.756 177.043 176.300 -0.021 0.000 1.158 363 D CA -0.597 53.317 54.000 -0.144 0.000 1.085 363 D CB 0.732 41.502 40.800 -0.050 0.000 1.222 363 D HN 0.868 nan 8.370 nan 0.000 0.626 364 E N -1.144 118.932 120.200 -0.208 0.000 2.481 364 E HA 0.015 4.366 4.350 0.001 0.000 0.195 364 E C 0.493 176.830 176.600 -0.439 0.000 1.047 364 E CA 0.486 56.672 56.400 -0.357 0.000 0.867 364 E CB -0.364 29.007 29.700 -0.548 0.000 0.858 364 E HN 0.495 nan 8.360 nan 0.000 0.513 365 F N 0.548 120.536 119.950 0.063 0.000 2.653 365 F HA 0.382 4.910 4.527 0.001 0.000 0.288 365 F C 1.120 176.948 175.800 0.047 0.000 1.121 365 F CA -0.419 57.612 58.000 0.051 0.000 1.384 365 F CB 0.601 39.632 39.000 0.052 0.000 1.115 365 F HN -0.228 nan 8.300 nan 0.000 0.599 366 R N -0.603 120.018 120.500 0.201 0.000 2.837 366 R HA 0.603 4.944 4.340 0.001 0.000 0.271 366 R C -1.038 175.299 176.300 0.062 0.000 0.993 366 R CA -0.617 55.557 56.100 0.122 0.000 0.931 366 R CB 2.218 32.593 30.300 0.126 0.000 1.206 366 R HN -0.213 nan 8.270 nan 0.000 0.474 367 T N 0.105 114.665 114.554 0.009 0.000 2.956 367 T HA 0.531 4.882 4.350 0.001 0.000 0.312 367 T C -0.742 173.926 174.700 -0.053 0.000 1.151 367 T CA -0.379 61.700 62.100 -0.035 0.000 1.024 367 T CB 1.451 70.206 68.868 -0.188 0.000 1.140 367 T HN 0.719 nan 8.240 nan 0.000 0.473 368 A N 2.488 125.184 122.820 -0.207 0.000 2.577 368 A HA 0.616 4.937 4.320 0.001 0.000 0.233 368 A C 0.599 178.069 177.584 -0.191 0.000 1.076 368 A CA 0.459 52.250 52.037 -0.410 0.000 0.767 368 A CB -0.444 17.912 19.000 -1.074 0.000 1.017 368 A HN 1.544 nan 8.150 nan 0.000 0.511 369 A N 0.037 122.867 122.820 0.015 0.000 2.587 369 A HA 0.674 4.994 4.320 0.001 0.000 0.293 369 A C -1.184 176.507 177.584 0.178 0.000 1.087 369 A CA -0.389 51.699 52.037 0.085 0.000 0.692 369 A CB 1.606 20.626 19.000 0.035 0.000 1.291 369 A HN 1.530 nan 8.150 nan 0.000 0.407 370 V N 1.741 121.719 119.914 0.106 0.000 2.498 370 V HA 0.428 4.549 4.120 0.001 0.000 0.283 370 V C -0.760 175.283 176.094 -0.084 0.000 1.015 370 V CA -0.232 62.078 62.300 0.016 0.000 0.867 370 V CB 1.111 32.994 31.823 0.100 0.000 1.025 370 V HN 0.955 nan 8.190 nan 0.000 0.441 371 E N 2.279 122.361 120.200 -0.198 0.000 2.256 371 E HA 0.894 5.244 4.350 0.001 0.000 0.267 371 E C 0.122 176.390 176.600 -0.552 0.000 0.892 371 E CA -0.563 55.694 56.400 -0.238 0.000 0.775 371 E CB 2.775 32.472 29.700 -0.005 0.000 1.207 371 E HN 0.848 nan 8.360 nan 0.000 0.420 372 G N 1.429 109.710 108.800 -0.866 0.000 2.495 372 G HA2 0.473 4.433 3.960 0.001 0.000 0.294 372 G HA3 0.473 4.433 3.960 0.001 0.000 0.294 372 G C -2.951 171.571 174.900 -0.630 0.000 1.397 372 G CA -0.844 43.506 45.100 -1.250 0.000 0.790 372 G HN 0.377 nan 8.290 nan 0.000 0.486 373 P HA 0.784 nan 4.420 nan 0.000 0.285 373 P C -1.554 175.377 177.300 -0.614 0.000 1.280 373 P CA -0.712 62.153 63.100 -0.393 0.000 0.862 373 P CB 1.402 33.160 31.700 0.097 0.000 1.153 374 F N -1.005 118.966 119.950 0.034 0.000 2.529 374 F HA 0.272 4.799 4.527 0.001 0.000 0.320 374 F C 0.262 176.095 175.800 0.056 0.000 1.118 374 F CA -1.227 56.808 58.000 0.059 0.000 0.915 374 F CB 1.768 40.835 39.000 0.113 0.000 1.161 374 F HN -0.085 nan 8.300 nan 0.000 0.445 375 V N 2.727 122.760 119.914 0.198 0.000 2.493 375 V HA 0.166 4.286 4.120 0.001 0.000 0.292 375 V C 0.030 176.188 176.094 0.107 0.000 1.016 375 V CA 0.684 63.059 62.300 0.126 0.000 1.097 375 V CB 0.336 32.210 31.823 0.086 0.000 0.947 375 V HN 0.832 nan 8.190 nan 0.000 0.479 376 T N 6.994 121.601 114.554 0.088 0.000 3.011 376 T HA 0.562 4.913 4.350 0.001 0.000 0.303 376 T C -0.545 174.180 174.700 0.042 0.000 0.997 376 T CA -0.440 61.689 62.100 0.049 0.000 1.007 376 T CB 1.008 69.902 68.868 0.043 0.000 1.017 376 T HN 0.356 nan 8.240 nan 0.000 0.443 377 L N 2.544 123.782 121.223 0.024 0.000 2.334 377 L HA 0.555 4.895 4.340 0.001 0.000 0.275 377 L C 0.103 176.985 176.870 0.019 0.000 1.036 377 L CA -0.873 53.981 54.840 0.024 0.000 0.807 377 L CB 0.747 42.816 42.059 0.017 0.000 1.231 377 L HN 0.607 nan 8.230 nan 0.000 0.438 378 D N 1.006 121.419 120.400 0.023 0.000 2.945 378 D HA -0.215 4.426 4.640 0.001 0.000 0.225 378 D C 1.085 177.400 176.300 0.026 0.000 1.158 378 D CA 0.879 54.891 54.000 0.020 0.000 0.805 378 D CB -0.836 39.971 40.800 0.011 0.000 1.098 378 D HN 0.652 nan 8.370 nan 0.000 0.426 379 M N -0.205 119.415 119.600 0.034 0.000 2.267 379 M HA -0.172 4.308 4.480 0.001 0.000 0.263 379 M C 1.966 178.294 176.300 0.047 0.000 1.063 379 M CA 1.384 56.709 55.300 0.040 0.000 1.090 379 M CB -0.091 32.537 32.600 0.047 0.000 1.392 379 M HN 0.033 nan 8.290 nan 0.000 0.422 380 E N 0.598 120.824 120.200 0.044 0.000 2.160 380 E HA -0.202 4.148 4.350 0.001 0.000 0.195 380 E C 1.244 177.870 176.600 0.044 0.000 0.991 380 E CA 1.206 57.633 56.400 0.044 0.000 0.810 380 E CB -0.541 29.179 29.700 0.035 0.000 0.742 380 E HN 0.569 nan 8.360 nan 0.000 0.466 381 D N -0.009 120.412 120.400 0.036 0.000 2.350 381 D HA -0.068 4.573 4.640 0.001 0.000 0.216 381 D C 1.620 177.948 176.300 0.047 0.000 0.968 381 D CA 0.364 54.383 54.000 0.032 0.000 0.894 381 D CB -0.334 40.476 40.800 0.018 0.000 0.909 381 D HN 0.199 nan 8.370 nan 0.000 0.520 382 c N 0.601 119.237 118.600 0.060 0.000 2.485 382 c HA 0.189 4.760 4.570 0.001 0.000 0.277 382 c C 1.696 175.858 174.090 0.120 0.000 1.376 382 c CA -0.229 56.149 56.329 0.082 0.000 1.759 382 c CB -0.918 41.647 42.510 0.091 0.000 1.970 382 c HN 0.256 nan 8.230 nan 0.000 0.509 383 G N -0.399 108.470 108.800 0.115 0.000 2.365 383 G HA2 0.317 4.277 3.960 0.001 0.000 0.249 383 G HA3 0.317 4.277 3.960 0.001 0.000 0.249 383 G C -0.782 174.225 174.900 0.179 0.000 1.288 383 G CA 0.166 45.354 45.100 0.146 0.000 0.887 383 G HN 0.469 nan 8.290 nan 0.000 0.524 384 Y N 3.041 123.405 120.300 0.106 0.000 2.320 384 Y HA 0.412 4.962 4.550 0.001 0.000 0.324 384 Y C 0.372 176.337 175.900 0.109 0.000 1.190 384 Y CA -0.877 57.294 58.100 0.119 0.000 1.215 384 Y CB 1.033 39.607 38.460 0.191 0.000 1.221 384 Y HN 0.531 nan 8.280 nan 0.000 0.486 446 S N 0.234 115.839 115.700 -0.159 0.000 2.659 446 S HA 0.696 5.167 4.470 0.001 0.000 0.312 446 S C -1.563 172.837 174.600 -0.334 0.000 1.114 446 S CA -0.557 57.584 58.200 -0.098 0.000 1.063 446 S CB 0.369 63.517 63.200 -0.085 0.000 0.996 446 S HN 0.197 nan 8.310 nan 0.000 0.478 447 F N 4.344 124.334 119.950 0.068 0.000 2.530 447 F HA 0.342 4.870 4.527 0.001 0.000 0.318 447 F C 0.594 176.429 175.800 0.059 0.000 1.356 447 F CA -0.585 57.458 58.000 0.072 0.000 1.135 447 F CB 0.604 39.662 39.000 0.097 0.000 1.315 447 F HN 0.406 nan 8.300 nan 0.000 0.549 448 V N 0.000 119.989 119.914 0.125 0.000 2.409 448 V HA 0.000 4.120 4.120 0.001 0.000 0.244 448 V CA 0.000 62.354 62.300 0.090 0.000 1.235 448 V CB 0.000 31.847 31.823 0.040 0.000 1.184 448 V HN 0.000 nan 8.190 nan 0.000 0.556