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 3kvm_1_A DATA FIRST_RESID 31 DATA SEQUENCE ATGDERFYAE HLMPTLQGLL DPESAHRLAV RFTSLGLLPR ARFQDSDMLE DATA SEQUENCE VRVLGHKFRN PVGIAAGFDK HGEAVDGLYK MGFGFVEIGS VTPKPQEGNP DATA SEQUENCE RPRVFRLPED QAVINRYGFN SHGLSVVEHR LRARQQKQAK LTEDGLPLGV DATA SEQUENCE NLGKNKTSVD AAEDYAEGVR VLGPLADYLV VNVSSPNTAG LRSLQGKAEL DATA SEQUENCE RRLLTKVLQE RDGLRRVHRP AVLVKIAPDL TSQDKEDIAS VVKELGIDGL DATA SEQUENCE IVTNTTVSRP AGLQGALRSE TGGLSGKPLR DLSTQTIREM YALTQGRVPI DATA SEQUENCE IGVGGVSSGQ DALEKIRAGA SLVQLYTALT FWGPPVVGKV KRELEALLKE DATA SEQUENCE QGFGGVTDAI GADHRR 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 31 A HA 0.000 nan 4.320 nan 0.000 0.244 31 A C 0.000 177.610 177.584 0.043 0.000 1.274 31 A CA 0.000 52.063 52.037 0.044 0.000 0.836 31 A CB 0.000 19.034 19.000 0.056 0.000 0.831 32 T N 0.809 115.388 114.554 0.040 0.000 2.849 32 T HA 0.027 4.378 4.350 0.001 0.000 0.270 32 T C 1.688 176.430 174.700 0.069 0.000 1.066 32 T CA 2.628 64.751 62.100 0.038 0.000 1.130 32 T CB -0.710 68.175 68.868 0.028 0.000 0.864 32 T HN 0.916 nan 8.240 nan 0.000 0.481 33 G N 1.694 110.541 108.800 0.078 0.000 2.524 33 G HA2 -0.240 3.720 3.960 0.001 0.000 0.215 33 G HA3 -0.240 3.720 3.960 0.001 0.000 0.215 33 G C 1.170 176.181 174.900 0.184 0.000 1.239 33 G CA 1.342 46.504 45.100 0.103 0.000 0.798 33 G HN 0.676 nan 8.290 nan 0.000 0.557 34 D N 0.002 120.527 120.400 0.209 0.000 2.355 34 D HA 0.040 4.681 4.640 0.001 0.000 0.218 34 D C 1.863 178.408 176.300 0.409 0.000 1.004 34 D CA 0.644 54.888 54.000 0.407 0.000 0.880 34 D CB -0.255 40.797 40.800 0.421 0.000 0.911 34 D HN 0.481 nan 8.370 nan 0.000 0.528 35 E N 0.343 120.662 120.200 0.198 0.000 2.038 35 E HA -0.135 4.215 4.350 0.001 0.000 0.195 35 E C 2.109 178.812 176.600 0.172 0.000 1.000 35 E CA 0.863 57.340 56.400 0.129 0.000 0.803 35 E CB 0.048 29.769 29.700 0.035 0.000 0.750 35 E HN 0.235 nan 8.360 nan 0.000 0.448 36 R N -0.494 120.105 120.500 0.165 0.000 2.090 36 R HA -0.098 4.243 4.340 0.001 0.000 0.228 36 R C 2.232 178.678 176.300 0.242 0.000 1.110 36 R CA 0.876 57.065 56.100 0.148 0.000 0.973 36 R CB -0.227 30.148 30.300 0.124 0.000 0.869 36 R HN 0.172 nan 8.270 nan 0.000 0.440 37 F N 0.113 120.190 119.950 0.210 0.000 2.134 37 F HA -0.208 4.320 4.527 0.001 0.000 0.299 37 F C 1.550 177.473 175.800 0.205 0.000 1.097 37 F CA 1.367 59.512 58.000 0.241 0.000 1.264 37 F CB -0.275 38.835 39.000 0.184 0.000 1.001 37 F HN -0.060 nan 8.300 nan 0.000 0.479 38 Y N -0.039 120.303 120.300 0.071 0.000 2.263 38 Y HA -0.035 4.516 4.550 0.002 0.000 0.292 38 Y C 2.571 178.486 175.900 0.024 0.000 1.130 38 Y CA 1.421 59.517 58.100 -0.008 0.000 1.179 38 Y CB -1.055 37.478 38.460 0.121 0.000 0.998 38 Y HN 0.134 nan 8.280 nan 0.000 0.532 39 A N -0.326 122.645 122.820 0.253 0.000 1.897 39 A HA -0.121 4.199 4.320 0.001 0.000 0.215 39 A C 1.963 179.630 177.584 0.139 0.000 1.181 39 A CA 1.677 53.900 52.037 0.310 0.000 0.620 39 A CB -0.379 18.724 19.000 0.172 0.000 0.821 39 A HN 0.466 nan 8.150 nan 0.000 0.443 40 E N -2.144 118.024 120.200 -0.053 0.000 2.250 40 E HA 0.008 4.359 4.350 0.001 0.000 0.192 40 E C 1.386 177.657 176.600 -0.549 0.000 0.986 40 E CA 0.892 57.114 56.400 -0.297 0.000 0.849 40 E CB 0.085 29.539 29.700 -0.409 0.000 0.797 40 E HN 0.851 nan 8.360 nan 0.000 0.482 41 H N -1.523 117.416 119.070 -0.218 0.000 2.067 41 H HA 0.085 4.641 4.556 0.001 0.000 0.220 41 H C 1.447 176.526 175.328 -0.416 0.000 0.883 41 H CA -0.173 55.679 56.048 -0.325 0.000 1.042 41 H CB 0.096 29.596 29.762 -0.437 0.000 1.305 41 H HN -0.066 nan 8.280 nan 0.000 0.430 42 L N 0.691 121.568 121.223 -0.577 0.000 1.976 42 L HA -0.111 4.229 4.340 0.001 0.000 0.209 42 L C 1.797 178.519 176.870 -0.247 0.000 1.071 42 L CA 1.850 56.380 54.840 -0.516 0.000 0.746 42 L CB -0.572 40.982 42.059 -0.842 0.000 0.890 42 L HN 0.244 nan 8.230 nan 0.000 0.432 43 M N -0.331 119.178 119.600 -0.152 0.000 2.086 43 M HA -0.077 4.404 4.480 0.001 0.000 0.261 43 M C 0.078 176.338 176.300 -0.068 0.000 1.067 43 M CA 1.648 56.911 55.300 -0.062 0.000 1.116 43 M CB -2.539 30.078 32.600 0.029 0.000 1.348 43 M HN 0.159 nan 8.290 nan 0.000 0.407 44 P HA -0.086 nan 4.420 nan 0.000 0.218 44 P C 1.475 178.748 177.300 -0.045 0.000 1.148 44 P CA 1.417 64.496 63.100 -0.035 0.000 0.822 44 P CB -0.257 31.426 31.700 -0.028 0.000 0.784 45 T N -0.292 114.225 114.554 -0.062 0.000 2.812 45 T HA -0.091 4.260 4.350 0.001 0.000 0.264 45 T C 1.661 176.326 174.700 -0.057 0.000 1.042 45 T CA 0.735 62.805 62.100 -0.051 0.000 1.140 45 T CB -0.876 67.960 68.868 -0.054 0.000 0.870 45 T HN 0.012 nan 8.240 nan 0.000 0.445 46 L N 1.419 122.594 121.223 -0.079 0.000 2.012 46 L HA -0.127 4.213 4.340 0.001 0.000 0.210 46 L C 2.358 179.186 176.870 -0.070 0.000 1.073 46 L CA 1.824 56.616 54.840 -0.081 0.000 0.748 46 L CB -0.626 41.374 42.059 -0.098 0.000 0.891 46 L HN 0.234 nan 8.230 nan 0.000 0.431 47 Q N -0.844 118.911 119.800 -0.074 0.000 2.230 47 Q HA -0.062 4.279 4.340 0.001 0.000 0.202 47 Q C 2.042 178.014 176.000 -0.048 0.000 0.963 47 Q CA 1.026 56.785 55.803 -0.075 0.000 0.866 47 Q CB -0.389 28.294 28.738 -0.092 0.000 0.931 47 Q HN 0.716 nan 8.270 nan 0.000 0.452 48 G N 0.545 109.323 108.800 -0.036 0.000 2.448 48 G HA2 -0.129 3.832 3.960 0.001 0.000 0.218 48 G HA3 -0.129 3.832 3.960 0.001 0.000 0.218 48 G C 1.331 176.219 174.900 -0.021 0.000 1.135 48 G CA 0.259 45.345 45.100 -0.022 0.000 0.784 48 G HN 0.159 nan 8.290 nan 0.000 0.543 49 L N -0.837 120.369 121.223 -0.027 0.000 2.298 49 L HA 0.403 4.744 4.340 0.001 0.000 0.209 49 L C 0.501 177.357 176.870 -0.022 0.000 1.084 49 L CA 0.243 55.070 54.840 -0.021 0.000 0.816 49 L CB 0.093 42.139 42.059 -0.022 0.000 0.967 49 L HN 0.045 nan 8.230 nan 0.000 0.460 50 L N 0.371 121.575 121.223 -0.032 0.000 2.386 50 L HA 0.288 4.629 4.340 0.001 0.000 0.271 50 L C -0.658 176.187 176.870 -0.040 0.000 0.993 50 L CA -0.988 53.834 54.840 -0.031 0.000 0.819 50 L CB 2.113 44.153 42.059 -0.031 0.000 1.294 50 L HN 0.091 nan 8.230 nan 0.000 0.414 51 D N 1.970 122.346 120.400 -0.039 0.000 2.361 51 D HA 0.060 4.700 4.640 0.001 0.000 0.239 51 D C -2.166 174.092 176.300 -0.070 0.000 1.200 51 D CA -1.242 52.723 54.000 -0.058 0.000 0.915 51 D CB 1.017 41.779 40.800 -0.063 0.000 1.170 51 D HN 0.187 nan 8.370 nan 0.000 0.444 52 P HA -0.177 nan 4.420 nan 0.000 0.215 52 P C 1.380 178.662 177.300 -0.030 0.000 1.157 52 P CA 1.568 64.602 63.100 -0.110 0.000 0.868 52 P CB 0.077 31.664 31.700 -0.189 0.000 0.788 53 E N -0.697 119.474 120.200 -0.050 0.000 2.106 53 E HA -0.121 4.230 4.350 0.001 0.000 0.192 53 E C 1.861 178.508 176.600 0.079 0.000 0.984 53 E CA 1.163 57.603 56.400 0.068 0.000 0.806 53 E CB -0.292 29.414 29.700 0.010 0.000 0.750 53 E HN 0.054 nan 8.360 nan 0.000 0.458 54 S N 0.296 116.009 115.700 0.021 0.000 2.368 54 S HA -0.132 4.338 4.470 0.001 0.000 0.224 54 S C 1.999 176.619 174.600 0.034 0.000 1.029 54 S CA 0.917 59.128 58.200 0.019 0.000 0.988 54 S CB -0.197 63.002 63.200 -0.001 0.000 0.838 54 S HN 0.484 nan 8.310 nan 0.000 0.462 55 A N 1.026 123.865 122.820 0.032 0.000 1.902 55 A HA -0.183 4.137 4.320 0.001 0.000 0.217 55 A C 1.868 179.526 177.584 0.123 0.000 1.181 55 A CA 1.778 53.836 52.037 0.035 0.000 0.623 55 A CB -1.058 17.938 19.000 -0.007 0.000 0.818 55 A HN 0.734 nan 8.150 nan 0.000 0.443 56 H N -0.572 118.521 119.070 0.037 0.000 2.319 56 H HA -0.131 4.426 4.556 0.001 0.000 0.299 56 H C 2.441 177.759 175.328 -0.017 0.000 1.092 56 H CA 1.506 57.593 56.048 0.066 0.000 1.302 56 H CB 0.019 29.848 29.762 0.111 0.000 1.373 56 H HN 0.435 nan 8.280 nan 0.000 0.497 57 R N -0.065 120.424 120.500 -0.018 0.000 2.073 57 R HA -0.144 4.197 4.340 0.001 0.000 0.234 57 R C 2.530 178.828 176.300 -0.004 0.000 1.134 57 R CA 1.348 57.387 56.100 -0.103 0.000 0.952 57 R CB -0.363 29.907 30.300 -0.051 0.000 0.850 57 R HN 0.271 nan 8.270 nan 0.000 0.433 58 L N 0.846 122.100 121.223 0.052 0.000 2.046 58 L HA -0.106 4.234 4.340 0.001 0.000 0.208 58 L C 2.269 179.235 176.870 0.160 0.000 1.077 58 L CA 1.936 56.840 54.840 0.106 0.000 0.747 58 L CB -0.624 41.456 42.059 0.035 0.000 0.896 58 L HN 0.153 nan 8.230 nan 0.000 0.432 59 A N -1.259 121.640 122.820 0.132 0.000 1.902 59 A HA -0.145 4.175 4.320 0.001 0.000 0.217 59 A C 2.256 180.001 177.584 0.268 0.000 1.181 59 A CA 1.924 54.100 52.037 0.233 0.000 0.623 59 A CB -1.081 18.135 19.000 0.360 0.000 0.818 59 A HN 0.300 nan 8.150 nan 0.000 0.443 60 V N 0.114 120.064 119.914 0.060 0.000 2.343 60 V HA -0.282 3.839 4.120 0.001 0.000 0.247 60 V C 2.646 178.775 176.094 0.057 0.000 1.051 60 V CA 2.231 64.483 62.300 -0.081 0.000 1.036 60 V CB -0.844 30.797 31.823 -0.302 0.000 0.654 60 V HN 0.524 nan 8.190 nan 0.000 0.451 61 R N -1.024 119.542 120.500 0.110 0.000 2.070 61 R HA -0.140 4.200 4.340 0.001 0.000 0.233 61 R C 2.280 178.687 176.300 0.179 0.000 1.137 61 R CA 1.820 57.999 56.100 0.132 0.000 0.945 61 R CB -0.536 29.860 30.300 0.160 0.000 0.845 61 R HN 0.399 nan 8.270 nan 0.000 0.430 62 F N 0.950 120.941 119.950 0.069 0.000 2.134 62 F HA -0.186 4.341 4.527 0.000 0.000 0.299 62 F C 2.600 178.459 175.800 0.099 0.000 1.097 62 F CA 1.525 59.577 58.000 0.088 0.000 1.264 62 F CB -0.658 38.409 39.000 0.111 0.000 1.001 62 F HN 0.003 nan 8.300 nan 0.000 0.479 63 T N -0.898 113.839 114.554 0.304 0.000 2.746 63 T HA -0.180 4.171 4.350 0.001 0.000 0.267 63 T C 2.249 177.033 174.700 0.140 0.000 1.039 63 T CA 1.664 63.903 62.100 0.231 0.000 1.142 63 T CB -0.604 68.435 68.868 0.285 0.000 0.866 63 T HN 0.382 nan 8.240 nan 0.000 0.444 64 S N 1.429 117.191 115.700 0.103 0.000 2.447 64 S HA 0.075 4.545 4.470 0.001 0.000 0.233 64 S C 1.850 176.472 174.600 0.038 0.000 1.006 64 S CA 0.624 58.859 58.200 0.058 0.000 0.957 64 S CB -0.612 62.609 63.200 0.035 0.000 0.773 64 S HN 0.453 nan 8.310 nan 0.000 0.507 65 L N 0.661 121.897 121.223 0.020 0.000 2.567 65 L HA 0.328 4.669 4.340 0.001 0.000 0.225 65 L C 1.869 178.739 176.870 0.001 0.000 1.119 65 L CA 0.372 55.200 54.840 -0.021 0.000 0.871 65 L CB -0.567 41.427 42.059 -0.108 0.000 1.036 65 L HN 0.586 nan 8.230 nan 0.000 0.459 66 G N 0.796 109.624 108.800 0.047 0.000 2.143 66 G HA2 -0.284 3.676 3.960 0.001 0.000 0.249 66 G HA3 -0.284 3.676 3.960 0.001 0.000 0.249 66 G C 0.339 175.285 174.900 0.076 0.000 0.981 66 G CA -0.201 44.939 45.100 0.068 0.000 0.665 66 G HN 0.272 nan 8.290 nan 0.000 0.528 67 L N 1.103 122.369 121.223 0.072 0.000 2.416 67 L HA 0.339 4.680 4.340 0.001 0.000 0.243 67 L C 0.107 177.134 176.870 0.262 0.000 1.373 67 L CA -0.260 54.648 54.840 0.115 0.000 1.227 67 L CB -0.341 41.680 42.059 -0.062 0.000 1.428 67 L HN 0.026 nan 8.230 nan 0.000 0.425 68 L N 1.610 122.947 121.223 0.190 0.000 2.301 68 L HA 0.679 5.020 4.340 0.001 0.000 0.264 68 L C -1.754 175.211 176.870 0.157 0.000 1.016 68 L CA -2.056 52.894 54.840 0.184 0.000 0.821 68 L CB 0.732 42.866 42.059 0.126 0.000 1.346 68 L HN 0.125 nan 8.230 nan 0.000 0.429 69 P HA 0.224 nan 4.420 nan 0.000 0.272 69 P C -0.571 176.760 177.300 0.052 0.000 1.230 69 P CA -0.560 62.601 63.100 0.102 0.000 0.788 69 P CB 0.502 32.200 31.700 -0.003 0.000 0.949 70 R N 0.557 121.090 120.500 0.055 0.000 2.522 70 R HA 0.305 4.645 4.340 0.001 0.000 0.284 70 R C 0.347 176.661 176.300 0.024 0.000 1.032 70 R CA -0.021 56.104 56.100 0.041 0.000 1.049 70 R CB 0.010 30.335 30.300 0.042 0.000 0.956 70 R HN 0.498 nan 8.270 nan 0.000 0.422 71 A N 4.432 127.269 122.820 0.028 0.000 3.000 71 A HA 0.139 4.459 4.320 0.001 0.000 0.315 71 A C 1.044 178.664 177.584 0.060 0.000 1.434 71 A CA -0.732 51.323 52.037 0.031 0.000 1.108 71 A CB -0.033 18.982 19.000 0.025 0.000 1.171 71 A HN 0.886 nan 8.150 nan 0.000 0.524 72 R N 0.833 121.372 120.500 0.064 0.000 2.193 72 R HA 0.011 4.351 4.340 0.001 0.000 0.213 72 R C 0.328 176.666 176.300 0.063 0.000 1.055 72 R CA 0.096 56.228 56.100 0.054 0.000 0.995 72 R CB -0.336 29.990 30.300 0.043 0.000 0.893 72 R HN 0.520 nan 8.270 nan 0.000 0.459 73 F N 3.855 123.795 119.950 -0.017 0.000 2.590 73 F HA -0.036 4.494 4.527 0.005 0.000 0.389 73 F C 0.100 175.897 175.800 -0.004 0.000 1.049 73 F CA 0.294 58.286 58.000 -0.013 0.000 1.199 73 F CB 0.519 39.504 39.000 -0.025 0.000 1.058 73 F HN -0.012 nan 8.300 nan 0.000 0.556 74 Q N 5.621 125.027 119.800 -0.656 0.000 2.278 74 Q HA 0.145 4.485 4.340 0.001 0.000 0.257 74 Q C -0.831 174.776 176.000 -0.655 0.000 0.928 74 Q CA -0.877 54.661 55.803 -0.441 0.000 0.932 74 Q CB 1.267 29.835 28.738 -0.284 0.000 1.221 74 Q HN 0.566 nan 8.270 nan 0.000 0.434 75 D N 2.133 122.433 120.400 -0.166 0.000 2.417 75 D HA 0.029 4.670 4.640 0.001 0.000 0.250 75 D C 0.358 176.647 176.300 -0.019 0.000 1.166 75 D CA 0.308 54.347 54.000 0.065 0.000 0.881 75 D CB 0.876 41.793 40.800 0.195 0.000 1.164 75 D HN 0.449 nan 8.370 nan 0.000 0.467 76 S N 1.365 117.076 115.700 0.018 0.000 2.652 76 S HA 0.160 4.631 4.470 0.001 0.000 0.270 76 S C 0.759 175.394 174.600 0.059 0.000 1.243 76 S CA -0.745 57.464 58.200 0.015 0.000 0.999 76 S CB 1.490 64.703 63.200 0.021 0.000 0.973 76 S HN 0.182 nan 8.310 nan 0.000 0.544 77 D N 0.880 121.306 120.400 0.043 0.000 2.221 77 D HA -0.092 4.549 4.640 0.001 0.000 0.204 77 D C 1.737 178.076 176.300 0.065 0.000 0.982 77 D CA 1.267 55.298 54.000 0.052 0.000 0.857 77 D CB -0.373 40.450 40.800 0.037 0.000 0.934 77 D HN 0.577 nan 8.370 nan 0.000 0.475 78 M N -0.273 119.369 119.600 0.070 0.000 2.267 78 M HA -0.128 4.353 4.480 0.001 0.000 0.263 78 M C 1.778 178.128 176.300 0.083 0.000 1.063 78 M CA 1.023 56.370 55.300 0.077 0.000 1.090 78 M CB -0.071 32.581 32.600 0.087 0.000 1.392 78 M HN 0.040 nan 8.290 nan 0.000 0.422 79 L N -0.785 120.501 121.223 0.105 0.000 2.567 79 L HA 0.078 4.418 4.340 0.001 0.000 0.225 79 L C 1.055 177.994 176.870 0.115 0.000 1.119 79 L CA -0.126 54.783 54.840 0.115 0.000 0.871 79 L CB -0.251 41.908 42.059 0.165 0.000 1.036 79 L HN 0.270 nan 8.230 nan 0.000 0.459 80 E N 1.182 121.446 120.200 0.107 0.000 2.360 80 E HA 0.248 4.598 4.350 0.001 0.000 0.269 80 E C -1.156 175.505 176.600 0.101 0.000 1.022 80 E CA -0.145 56.325 56.400 0.117 0.000 0.887 80 E CB 1.116 30.874 29.700 0.097 0.000 0.990 80 E HN -0.136 nan 8.360 nan 0.000 0.426 81 V N 5.258 125.252 119.914 0.133 0.000 2.789 81 V HA 0.438 4.559 4.120 0.001 0.000 0.311 81 V C -0.428 175.767 176.094 0.170 0.000 1.073 81 V CA -0.829 61.525 62.300 0.091 0.000 0.921 81 V CB 2.016 33.833 31.823 -0.009 0.000 1.009 81 V HN 0.695 nan 8.190 nan 0.000 0.426 82 R N 2.467 123.036 120.500 0.114 0.000 2.360 82 R HA 0.839 5.180 4.340 0.001 0.000 0.318 82 R C -1.292 175.067 176.300 0.099 0.000 0.950 82 R CA -0.441 55.748 56.100 0.147 0.000 0.837 82 R CB 2.101 32.454 30.300 0.089 0.000 1.165 82 R HN 0.485 nan 8.270 nan 0.000 0.458 83 V N 4.129 124.140 119.914 0.163 0.000 3.242 83 V HA 0.257 4.377 4.120 0.001 0.000 0.298 83 V C -0.112 176.087 176.094 0.176 0.000 1.352 83 V CA -0.727 61.613 62.300 0.067 0.000 1.052 83 V CB 1.919 33.682 31.823 -0.100 0.000 1.101 83 V HN 0.931 nan 8.190 nan 0.000 0.446 84 L N 3.588 124.862 121.223 0.086 0.000 4.179 84 L HA -0.214 4.126 4.340 0.001 0.000 0.418 84 L C 1.263 178.231 176.870 0.163 0.000 1.168 84 L CA 1.035 55.956 54.840 0.134 0.000 0.972 84 L CB -1.656 40.510 42.059 0.179 0.000 2.005 84 L HN 1.707 nan 8.230 nan 0.000 0.935 85 G N -1.302 107.520 108.800 0.037 0.000 2.136 85 G HA2 -0.259 3.702 3.960 0.001 0.000 0.242 85 G HA3 -0.259 3.702 3.960 0.001 0.000 0.242 85 G C -0.043 174.590 174.900 -0.445 0.000 0.989 85 G CA 0.610 45.606 45.100 -0.174 0.000 0.682 85 G HN 0.688 nan 8.290 nan 0.000 0.522 86 H N -1.207 117.904 119.070 0.070 0.000 2.985 86 H HA 0.648 5.204 4.556 0.000 0.000 0.360 86 H C -0.151 175.186 175.328 0.015 0.000 1.221 86 H CA -0.603 55.427 56.048 -0.031 0.000 1.121 86 H CB 1.419 31.054 29.762 -0.212 0.000 1.854 86 H HN 0.219 nan 8.280 nan 0.000 0.551 87 K N 1.800 122.230 120.400 0.050 0.000 2.183 87 K HA 0.365 4.685 4.320 0.001 0.000 0.274 87 K C -1.506 175.048 176.600 -0.075 0.000 1.009 87 K CA -0.403 55.926 56.287 0.069 0.000 0.888 87 K CB 0.549 33.070 32.500 0.035 0.000 1.078 87 K HN 0.324 nan 8.250 nan 0.000 0.459 88 F N 3.897 123.877 119.950 0.050 0.000 2.449 88 F HA 0.335 4.862 4.527 -0.001 0.000 0.342 88 F C 1.300 177.154 175.800 0.090 0.000 1.127 88 F CA -0.923 57.117 58.000 0.067 0.000 0.975 88 F CB 1.788 40.791 39.000 0.007 0.000 1.146 88 F HN 0.639 nan 8.300 nan 0.000 0.444 89 R N 1.283 121.925 120.500 0.236 0.000 2.148 89 R HA 0.023 4.363 4.340 0.001 0.000 0.223 89 R C -0.445 175.984 176.300 0.214 0.000 1.088 89 R CA 1.188 57.396 56.100 0.181 0.000 0.985 89 R CB -0.292 30.086 30.300 0.130 0.000 0.880 89 R HN 0.723 nan 8.270 nan 0.000 0.451 90 N N -1.252 117.617 118.700 0.281 0.000 2.610 90 N HA 0.267 5.008 4.740 0.001 0.000 0.264 90 N C -2.737 172.964 175.510 0.319 0.000 1.348 90 N CA -1.970 51.233 53.050 0.255 0.000 0.819 90 N CB 2.118 40.740 38.487 0.226 0.000 1.521 90 N HN -0.288 nan 8.380 nan 0.000 0.497 91 P HA 0.130 nan 4.420 nan 0.000 0.257 91 P C -0.711 176.805 177.300 0.359 0.000 1.281 91 P CA 0.128 63.362 63.100 0.222 0.000 0.826 91 P CB 0.265 32.011 31.700 0.078 0.000 1.237 92 V N 0.669 120.780 119.914 0.329 0.000 2.311 92 V HA 0.578 4.698 4.120 0.001 0.000 0.275 92 V C 0.934 177.133 176.094 0.174 0.000 1.022 92 V CA -0.455 61.980 62.300 0.226 0.000 0.830 92 V CB 0.982 32.869 31.823 0.108 0.000 1.012 92 V HN 0.086 nan 8.190 nan 0.000 0.452 93 G N 3.469 112.110 108.800 -0.264 0.000 2.509 93 G HA2 0.660 4.620 3.960 0.001 0.000 0.328 93 G HA3 0.660 4.620 3.960 0.001 0.000 0.328 93 G C -1.011 173.477 174.900 -0.686 0.000 1.194 93 G CA -0.740 43.752 45.100 -1.013 0.000 0.967 93 G HN 0.567 nan 8.290 nan 0.000 0.488 94 I N 1.151 121.014 120.570 -1.179 0.000 2.342 94 I HA 0.611 4.781 4.170 0.001 0.000 0.291 94 I C 0.778 176.527 176.117 -0.613 0.000 1.010 94 I CA -0.631 59.942 61.300 -1.211 0.000 1.308 94 I CB 0.803 37.810 38.000 -1.654 0.000 1.400 94 I HN 0.637 nan 8.210 nan 0.000 0.488 95 A N 6.372 128.970 122.820 -0.371 0.000 2.366 95 A HA 0.717 5.037 4.320 0.001 0.000 0.249 95 A C 0.471 177.976 177.584 -0.132 0.000 1.084 95 A CA -0.077 51.878 52.037 -0.137 0.000 0.794 95 A CB -0.124 18.902 19.000 0.043 0.000 1.034 95 A HN 1.151 nan 8.150 nan 0.000 0.491 96 A N -0.280 122.534 122.820 -0.011 0.000 2.555 96 A HA 0.464 4.785 4.320 0.001 0.000 0.233 96 A C 1.551 179.180 177.584 0.074 0.000 1.060 96 A CA 0.982 53.021 52.037 0.004 0.000 0.759 96 A CB -0.583 18.455 19.000 0.063 0.000 0.995 96 A HN 2.731 nan 8.150 nan 0.000 0.506 97 G N -0.206 108.611 108.800 0.029 0.000 2.218 97 G HA2 -0.253 3.707 3.960 0.001 0.000 0.216 97 G HA3 -0.253 3.707 3.960 0.001 0.000 0.216 97 G C 0.685 175.668 174.900 0.137 0.000 0.994 97 G CA 0.853 46.055 45.100 0.170 0.000 0.637 97 G HN 1.255 nan 8.290 nan 0.000 0.505 98 F N 1.753 121.462 119.950 -0.401 0.000 2.164 98 F HA 0.407 4.935 4.527 0.002 0.000 0.287 98 F C 0.900 176.632 175.800 -0.113 0.000 1.086 98 F CA 1.273 59.006 58.000 -0.444 0.000 1.249 98 F CB 0.395 38.843 39.000 -0.920 0.000 1.059 98 F HN 0.030 nan 8.300 nan 0.000 0.490 99 D N 0.811 121.056 120.400 -0.257 0.000 2.518 99 D HA 0.136 4.777 4.640 0.001 0.000 0.230 99 D C 0.792 176.874 176.300 -0.363 0.000 1.138 99 D CA 0.097 53.899 54.000 -0.331 0.000 0.964 99 D CB 0.386 41.073 40.800 -0.188 0.000 1.011 99 D HN 0.213 nan 8.370 nan 0.000 0.517 100 K N 0.407 120.470 120.400 -0.563 0.000 2.211 100 K HA -0.095 4.226 4.320 0.001 0.000 0.203 100 K C 0.475 176.636 176.600 -0.731 0.000 1.050 100 K CA 1.010 56.879 56.287 -0.698 0.000 0.945 100 K CB 0.153 32.076 32.500 -0.961 0.000 0.732 100 K HN 0.522 nan 8.250 nan 0.000 0.451 101 H N -1.781 117.098 119.070 -0.317 0.000 2.674 101 H HA 0.246 4.803 4.556 0.001 0.000 0.274 101 H C 0.425 175.649 175.328 -0.173 0.000 1.121 101 H CA 0.080 55.937 56.048 -0.319 0.000 1.132 101 H CB 1.277 30.637 29.762 -0.671 0.000 1.606 101 H HN 0.255 nan 8.280 nan 0.000 0.558 102 G N 1.484 110.217 108.800 -0.111 0.000 2.225 102 G HA2 -0.315 3.645 3.960 0.001 0.000 0.264 102 G HA3 -0.315 3.645 3.960 0.001 0.000 0.264 102 G C 0.507 175.390 174.900 -0.028 0.000 1.060 102 G CA 0.436 45.496 45.100 -0.066 0.000 0.833 102 G HN 0.594 nan 8.290 nan 0.000 0.498 103 E N -0.813 119.362 120.200 -0.042 0.000 2.460 103 E HA 0.446 4.796 4.350 0.001 0.000 0.200 103 E C 1.850 178.444 176.600 -0.010 0.000 1.011 103 E CA 0.590 56.985 56.400 -0.008 0.000 0.912 103 E CB 0.490 30.191 29.700 0.000 0.000 0.953 103 E HN 0.812 nan 8.360 nan 0.000 0.494 104 A N 0.372 123.175 122.820 -0.027 0.000 2.592 104 A HA 0.221 4.542 4.320 0.001 0.000 0.290 104 A C 1.475 179.055 177.584 -0.007 0.000 0.998 104 A CA -0.237 51.803 52.037 0.005 0.000 0.983 104 A CB 0.129 19.143 19.000 0.023 0.000 1.240 104 A HN 0.037 nan 8.150 nan 0.000 0.535 105 V N 0.440 120.334 119.914 -0.034 0.000 2.287 105 V HA -0.252 3.868 4.120 0.001 0.000 0.248 105 V C 2.127 178.182 176.094 -0.066 0.000 1.053 105 V CA 2.532 64.772 62.300 -0.099 0.000 1.027 105 V CB -0.443 31.357 31.823 -0.038 0.000 0.646 105 V HN 0.560 nan 8.190 nan 0.000 0.447 106 D N 0.423 120.875 120.400 0.086 0.000 2.144 106 D HA -0.090 4.550 4.640 0.001 0.000 0.200 106 D C 2.201 178.593 176.300 0.153 0.000 0.978 106 D CA 1.568 55.685 54.000 0.195 0.000 0.833 106 D CB -0.316 40.576 40.800 0.153 0.000 0.961 106 D HN 0.513 nan 8.370 nan 0.000 0.470 107 G N 1.075 109.935 108.800 0.101 0.000 2.432 107 G HA2 -0.184 3.776 3.960 0.001 0.000 0.219 107 G HA3 -0.184 3.776 3.960 0.001 0.000 0.219 107 G C 1.822 176.794 174.900 0.121 0.000 1.135 107 G CA 0.190 45.357 45.100 0.113 0.000 0.767 107 G HN 0.219 nan 8.290 nan 0.000 0.550 108 L N -1.167 120.093 121.223 0.063 0.000 2.109 108 L HA 0.010 4.351 4.340 0.001 0.000 0.207 108 L C 2.615 179.565 176.870 0.133 0.000 1.086 108 L CA 0.727 55.614 54.840 0.078 0.000 0.760 108 L CB -0.385 41.600 42.059 -0.122 0.000 0.910 108 L HN 0.236 nan 8.230 nan 0.000 0.437 109 Y N 0.053 120.451 120.300 0.164 0.000 2.224 109 Y HA -0.288 4.263 4.550 0.001 0.000 0.289 109 Y C 2.718 178.684 175.900 0.110 0.000 1.146 109 Y CA 1.217 59.404 58.100 0.145 0.000 1.182 109 Y CB -0.127 38.393 38.460 0.100 0.000 0.983 109 Y HN 0.095 nan 8.280 nan 0.000 0.524 110 K N 0.531 121.073 120.400 0.238 0.000 2.209 110 K HA -0.219 4.102 4.320 0.001 0.000 0.204 110 K C 2.056 178.714 176.600 0.096 0.000 1.048 110 K CA 1.241 57.617 56.287 0.149 0.000 0.940 110 K CB -0.204 32.370 32.500 0.124 0.000 0.729 110 K HN 0.314 nan 8.250 nan 0.000 0.451 111 M N -0.890 118.762 119.600 0.088 0.000 2.476 111 M HA -0.044 4.436 4.480 0.001 0.000 0.262 111 M C 0.721 176.927 176.300 -0.157 0.000 1.079 111 M CA 1.573 56.858 55.300 -0.026 0.000 1.104 111 M CB 0.375 32.978 32.600 0.005 0.000 1.409 111 M HN 0.498 nan 8.290 nan 0.000 0.467 112 G N -0.603 108.164 108.800 -0.054 0.000 2.192 112 G HA2 -0.204 3.757 3.960 0.001 0.000 0.193 112 G HA3 -0.204 3.757 3.960 0.001 0.000 0.193 112 G C -0.073 174.786 174.900 -0.069 0.000 0.999 112 G CA -0.641 44.423 45.100 -0.060 0.000 0.659 112 G HN 0.376 nan 8.290 nan 0.000 0.503 113 F N 1.172 121.155 119.950 0.055 0.000 2.529 113 F HA 0.427 4.955 4.527 0.002 0.000 0.365 113 F C 1.864 177.782 175.800 0.198 0.000 1.102 113 F CA 0.962 58.982 58.000 0.033 0.000 1.271 113 F CB 1.294 40.227 39.000 -0.111 0.000 1.120 113 F HN 0.020 nan 8.300 nan 0.000 0.579 114 G N 3.281 112.347 108.800 0.444 0.000 2.623 114 G HA2 0.087 4.047 3.960 0.001 0.000 0.214 114 G HA3 0.087 4.047 3.960 0.001 0.000 0.214 114 G C -0.250 175.107 174.900 0.762 0.000 1.138 114 G CA 0.202 45.624 45.100 0.536 0.000 0.794 114 G HN 0.605 nan 8.290 nan 0.000 0.535 115 F N -2.799 117.419 119.950 0.447 0.000 2.693 115 F HA 0.705 5.232 4.527 -0.000 0.000 0.309 115 F C -1.511 174.398 175.800 0.182 0.000 1.129 115 F CA -1.631 56.625 58.000 0.427 0.000 0.948 115 F CB 1.468 40.801 39.000 0.555 0.000 1.315 115 F HN -0.170 nan 8.300 nan 0.000 0.447 116 V N 1.183 121.164 119.914 0.112 0.000 2.588 116 V HA 0.474 4.594 4.120 0.001 0.000 0.304 116 V C -1.053 174.978 176.094 -0.105 0.000 1.042 116 V CA -0.584 61.566 62.300 -0.249 0.000 0.877 116 V CB 1.733 33.251 31.823 -0.509 0.000 0.996 116 V HN 0.874 nan 8.190 nan 0.000 0.425 117 E N 4.432 124.533 120.200 -0.166 0.000 2.165 117 E HA 0.625 4.975 4.350 0.001 0.000 0.266 117 E C -0.846 175.664 176.600 -0.151 0.000 0.889 117 E CA -0.612 55.726 56.400 -0.104 0.000 0.756 117 E CB 1.640 31.369 29.700 0.048 0.000 1.131 117 E HN 0.754 nan 8.360 nan 0.000 0.411 118 I N 1.143 121.622 120.570 -0.151 0.000 2.924 118 I HA 0.935 5.105 4.170 0.001 0.000 0.316 118 I C 0.497 176.531 176.117 -0.137 0.000 1.014 118 I CA -0.217 60.990 61.300 -0.156 0.000 1.106 118 I CB 1.727 39.636 38.000 -0.152 0.000 1.311 118 I HN 0.716 nan 8.210 nan 0.000 0.502 119 G N 2.109 110.806 108.800 -0.172 0.000 2.422 119 G HA2 -0.067 3.893 3.960 0.001 0.000 0.607 119 G HA3 -0.067 3.893 3.960 0.001 0.000 0.607 119 G C -0.783 174.035 174.900 -0.137 0.000 1.270 119 G CA -0.448 44.554 45.100 -0.162 0.000 0.992 119 G HN 0.865 nan 8.290 nan 0.000 0.499 120 S N -1.001 114.635 115.700 -0.107 0.000 2.564 120 S HA 0.516 4.987 4.470 0.001 0.000 0.278 120 S C 0.498 174.924 174.600 -0.290 0.000 1.333 120 S CA -0.217 57.851 58.200 -0.219 0.000 1.048 120 S CB 1.436 64.394 63.200 -0.403 0.000 0.900 120 S HN 1.166 nan 8.310 nan 0.000 0.505 121 V N 3.181 122.943 119.914 -0.253 0.000 2.435 121 V HA 0.522 4.643 4.120 0.001 0.000 0.290 121 V C 0.567 176.519 176.094 -0.237 0.000 1.030 121 V CA -0.868 61.317 62.300 -0.192 0.000 0.881 121 V CB 1.471 33.226 31.823 -0.114 0.000 0.983 121 V HN 1.021 nan 8.190 nan 0.000 0.445 122 T N 2.302 116.738 114.554 -0.197 0.000 2.943 122 T HA 0.478 4.829 4.350 0.001 0.000 0.284 122 T C -2.057 172.579 174.700 -0.106 0.000 1.015 122 T CA -2.106 59.884 62.100 -0.183 0.000 1.042 122 T CB 2.162 70.949 68.868 -0.135 0.000 1.055 122 T HN 0.349 nan 8.240 nan 0.000 0.500 123 P HA -0.011 nan 4.420 nan 0.000 0.214 123 P C 0.218 177.492 177.300 -0.043 0.000 1.163 123 P CA 1.236 64.293 63.100 -0.072 0.000 0.883 123 P CB 0.161 31.815 31.700 -0.077 0.000 0.788 124 K N -0.977 119.402 120.400 -0.034 0.000 2.098 124 K HA 0.404 4.725 4.320 0.001 0.000 0.258 124 K C -2.489 174.108 176.600 -0.004 0.000 0.973 124 K CA -3.002 53.276 56.287 -0.016 0.000 0.898 124 K CB -0.663 31.830 32.500 -0.012 0.000 1.057 124 K HN -0.139 nan 8.250 nan 0.000 0.447 125 P HA 0.007 nan 4.420 nan 0.000 0.266 125 P C -0.772 176.541 177.300 0.022 0.000 1.195 125 P CA 0.160 63.269 63.100 0.014 0.000 0.768 125 P CB 0.394 32.092 31.700 -0.005 0.000 0.838 126 Q N 0.035 119.860 119.800 0.042 0.000 2.522 126 Q HA 0.364 4.704 4.340 0.001 0.000 0.285 126 Q C -0.278 175.763 176.000 0.070 0.000 0.982 126 Q CA -0.729 55.106 55.803 0.052 0.000 0.805 126 Q CB 1.270 30.047 28.738 0.065 0.000 1.457 126 Q HN 0.238 nan 8.270 nan 0.000 0.394 127 E N 0.546 120.786 120.200 0.066 0.000 2.318 127 E HA 0.178 4.529 4.350 0.001 0.000 0.193 127 E C 0.599 177.262 176.600 0.104 0.000 0.998 127 E CA 0.740 57.183 56.400 0.072 0.000 0.859 127 E CB 0.349 30.080 29.700 0.052 0.000 0.812 127 E HN 0.844 nan 8.360 nan 0.000 0.492 128 G N 1.570 110.440 108.800 0.117 0.000 2.693 128 G HA2 -0.229 3.731 3.960 0.001 0.000 0.226 128 G HA3 -0.229 3.731 3.960 0.001 0.000 0.226 128 G C -0.397 174.569 174.900 0.110 0.000 1.354 128 G CA -0.487 44.699 45.100 0.143 0.000 0.873 128 G HN 0.134 nan 8.290 nan 0.000 0.562 129 N N 1.915 120.682 118.700 0.112 0.000 2.399 129 N HA 0.469 5.209 4.740 0.001 0.000 0.250 129 N C -1.889 173.660 175.510 0.065 0.000 1.272 129 N CA -0.490 52.604 53.050 0.073 0.000 0.928 129 N CB 0.294 38.816 38.487 0.058 0.000 1.158 129 N HN 0.524 nan 8.380 nan 0.000 0.463 130 P HA 0.113 nan 4.420 nan 0.000 0.269 130 P C -0.235 177.081 177.300 0.026 0.000 1.215 130 P CA 0.096 63.218 63.100 0.037 0.000 0.780 130 P CB 0.924 32.643 31.700 0.032 0.000 0.898 131 R N 2.069 122.577 120.500 0.013 0.000 2.560 131 R HA 0.398 4.739 4.340 0.001 0.000 0.270 131 R C -1.507 174.796 176.300 0.006 0.000 1.074 131 R CA -1.393 54.696 56.100 -0.019 0.000 1.140 131 R CB -0.479 29.805 30.300 -0.025 0.000 1.073 131 R HN 0.502 nan 8.270 nan 0.000 0.527 132 P HA 0.145 nan 4.420 nan 0.000 0.274 132 P C -0.594 176.598 177.300 -0.179 0.000 1.231 132 P CA -0.314 62.709 63.100 -0.130 0.000 0.790 132 P CB 0.793 32.427 31.700 -0.110 0.000 0.951 133 R N -0.216 120.006 120.500 -0.462 0.000 2.519 133 R HA 0.408 4.749 4.340 0.001 0.000 0.375 133 R C -0.804 175.083 176.300 -0.689 0.000 0.926 133 R CA -0.345 55.522 56.100 -0.389 0.000 1.166 133 R CB 0.160 30.316 30.300 -0.241 0.000 1.626 133 R HN 0.184 nan 8.270 nan 0.000 0.529 134 V N 1.500 120.776 119.914 -1.063 0.000 2.760 134 V HA 0.593 4.714 4.120 0.001 0.000 0.309 134 V C -1.359 174.094 176.094 -1.069 0.000 1.077 134 V CA -0.681 61.116 62.300 -0.839 0.000 0.910 134 V CB 1.856 33.334 31.823 -0.574 0.000 1.008 134 V HN 0.105 nan 8.190 nan 0.000 0.424 135 F N 1.990 121.857 119.950 -0.138 0.000 2.581 135 F HA 0.645 5.173 4.527 0.001 0.000 0.311 135 F C 0.257 176.003 175.800 -0.089 0.000 1.113 135 F CA -0.784 57.158 58.000 -0.097 0.000 0.935 135 F CB 2.052 41.005 39.000 -0.078 0.000 1.232 135 F HN 0.245 nan 8.300 nan 0.000 0.445 136 R N 2.246 122.792 120.500 0.078 0.000 2.349 136 R HA 0.637 4.978 4.340 0.001 0.000 0.299 136 R C -1.338 175.020 176.300 0.097 0.000 1.027 136 R CA -0.875 55.250 56.100 0.041 0.000 0.958 136 R CB 1.017 31.305 30.300 -0.019 0.000 1.047 136 R HN 0.415 nan 8.270 nan 0.000 0.468 137 L N 5.594 126.894 121.223 0.127 0.000 2.445 137 L HA 0.300 4.641 4.340 0.001 0.000 0.252 137 L C -1.915 175.027 176.870 0.120 0.000 1.105 137 L CA -1.723 53.175 54.840 0.096 0.000 0.943 137 L CB 1.423 43.516 42.059 0.057 0.000 1.277 137 L HN 0.420 nan 8.230 nan 0.000 0.465 138 P HA -0.143 nan 4.420 nan 0.000 0.216 138 P C 0.973 178.262 177.300 -0.019 0.000 1.150 138 P CA 1.093 64.266 63.100 0.121 0.000 0.837 138 P CB 0.475 32.242 31.700 0.111 0.000 0.786 139 E N -0.752 119.444 120.200 -0.007 0.000 2.338 139 E HA -0.111 4.239 4.350 0.001 0.000 0.197 139 E C 1.010 177.579 176.600 -0.052 0.000 1.007 139 E CA 0.922 57.306 56.400 -0.026 0.000 0.849 139 E CB -0.518 29.175 29.700 -0.011 0.000 0.774 139 E HN 0.352 nan 8.360 nan 0.000 0.506 140 D N -0.386 119.977 120.400 -0.062 0.000 2.433 140 D HA 0.025 4.665 4.640 0.001 0.000 0.211 140 D C -0.310 175.905 176.300 -0.141 0.000 1.114 140 D CA 0.019 53.977 54.000 -0.070 0.000 0.837 140 D CB 0.388 41.169 40.800 -0.033 0.000 0.984 140 D HN 0.047 nan 8.370 nan 0.000 0.505 141 Q N 0.123 119.745 119.800 -0.297 0.000 2.439 141 Q HA -0.176 4.165 4.340 0.001 0.000 0.325 141 Q C -0.441 175.394 176.000 -0.274 0.000 1.372 141 Q CA 0.523 55.906 55.803 -0.700 0.000 0.909 141 Q CB -1.270 27.127 28.738 -0.568 0.000 1.167 141 Q HN 0.351 nan 8.270 nan 0.000 0.418 142 A N -0.488 122.352 122.820 0.033 0.000 2.515 142 A HA 0.888 5.209 4.320 0.001 0.000 0.296 142 A C -0.772 176.918 177.584 0.177 0.000 1.094 142 A CA -0.534 51.570 52.037 0.112 0.000 0.718 142 A CB 2.077 21.096 19.000 0.032 0.000 1.307 142 A HN 0.112 nan 8.150 nan 0.000 0.408 143 V N 1.070 121.025 119.914 0.068 0.000 2.823 143 V HA 0.542 4.662 4.120 0.001 0.000 0.312 143 V C -0.755 175.340 176.094 0.001 0.000 1.072 143 V CA -0.333 61.968 62.300 0.002 0.000 0.937 143 V CB 1.891 33.643 31.823 -0.119 0.000 1.013 143 V HN 0.733 nan 8.190 nan 0.000 0.430 144 I N 3.783 124.380 120.570 0.044 0.000 2.433 144 I HA 0.490 4.661 4.170 0.001 0.000 0.292 144 I C -0.615 175.555 176.117 0.089 0.000 1.001 144 I CA -0.410 60.931 61.300 0.068 0.000 1.119 144 I CB 1.964 40.019 38.000 0.091 0.000 1.289 144 I HN 0.903 nan 8.210 nan 0.000 0.438 145 N N 4.851 123.561 118.700 0.017 0.000 2.225 145 N HA 0.603 5.344 4.740 0.001 0.000 0.298 145 N C -0.778 174.724 175.510 -0.013 0.000 1.076 145 N CA -1.085 51.927 53.050 -0.063 0.000 0.792 145 N CB 1.580 39.992 38.487 -0.125 0.000 1.498 145 N HN 0.584 nan 8.380 nan 0.000 0.474 146 R N 1.177 121.649 120.500 -0.046 0.000 2.795 146 R HA 0.246 4.587 4.340 0.001 0.000 0.320 146 R C -0.476 175.827 176.300 0.006 0.000 1.223 146 R CA -0.693 55.408 56.100 0.002 0.000 1.305 146 R CB -0.814 29.510 30.300 0.040 0.000 1.318 146 R HN 0.574 nan 8.270 nan 0.000 0.636 147 Y N 1.638 121.953 120.300 0.025 0.000 2.114 147 Y HA -0.230 4.321 4.550 0.001 0.000 0.282 147 Y C 1.937 177.864 175.900 0.044 0.000 1.165 147 Y CA 1.983 60.110 58.100 0.044 0.000 1.148 147 Y CB 0.121 38.631 38.460 0.084 0.000 0.972 147 Y HN 0.737 nan 8.280 nan 0.000 0.504 148 G N -1.021 107.883 108.800 0.173 0.000 2.171 148 G HA2 -0.315 3.645 3.960 0.001 0.000 0.238 148 G HA3 -0.315 3.645 3.960 0.001 0.000 0.238 148 G C 0.216 175.222 174.900 0.176 0.000 1.039 148 G CA -0.074 45.059 45.100 0.055 0.000 0.759 148 G HN 0.560 nan 8.290 nan 0.000 0.501 149 F N -1.049 118.965 119.950 0.107 0.000 3.040 149 F HA -0.250 4.277 4.527 0.001 0.000 0.298 149 F C 1.119 176.948 175.800 0.048 0.000 0.948 149 F CA 0.193 58.227 58.000 0.056 0.000 1.022 149 F CB -1.547 37.481 39.000 0.046 0.000 1.023 149 F HN 0.704 nan 8.300 nan 0.000 0.742 150 N N 1.566 120.399 118.700 0.223 0.000 2.447 150 N HA 0.214 4.955 4.740 0.001 0.000 0.263 150 N C -0.344 175.264 175.510 0.163 0.000 1.226 150 N CA 0.555 53.697 53.050 0.153 0.000 0.906 150 N CB 1.963 40.517 38.487 0.111 0.000 1.060 150 N HN 0.257 nan 8.380 nan 0.000 0.468 151 S N 0.913 116.710 115.700 0.160 0.000 2.543 151 S HA 0.208 4.678 4.470 0.001 0.000 0.271 151 S C 0.092 174.768 174.600 0.126 0.000 1.148 151 S CA -0.746 57.556 58.200 0.169 0.000 0.914 151 S CB 0.633 63.865 63.200 0.054 0.000 1.096 151 S HN 0.644 nan 8.310 nan 0.000 0.471 152 H N 2.501 121.525 119.070 -0.076 0.000 2.546 152 H HA 0.249 4.806 4.556 0.001 0.000 0.277 152 H C 1.357 176.649 175.328 -0.060 0.000 1.004 152 H CA 0.283 56.235 56.048 -0.160 0.000 1.231 152 H CB 0.176 29.800 29.762 -0.229 0.000 1.382 152 H HN 1.017 nan 8.280 nan 0.000 0.580 153 G N -0.051 108.804 108.800 0.091 0.000 2.730 153 G HA2 -0.238 3.723 3.960 0.001 0.000 0.686 153 G HA3 -0.238 3.723 3.960 0.001 0.000 0.686 153 G C 0.432 175.339 174.900 0.012 0.000 1.343 153 G CA -0.302 44.814 45.100 0.026 0.000 0.826 153 G HN 0.186 nan 8.290 nan 0.000 0.582 154 L N 0.457 121.667 121.223 -0.022 0.000 2.012 154 L HA -0.122 4.218 4.340 0.001 0.000 0.210 154 L C 3.192 180.030 176.870 -0.053 0.000 1.073 154 L CA 2.391 57.206 54.840 -0.042 0.000 0.748 154 L CB -0.674 41.353 42.059 -0.054 0.000 0.891 154 L HN 0.743 nan 8.230 nan 0.000 0.431 155 S N -0.543 115.133 115.700 -0.040 0.000 2.356 155 S HA -0.153 4.318 4.470 0.001 0.000 0.223 155 S C 1.960 176.557 174.600 -0.005 0.000 1.032 155 S CA 1.362 59.528 58.200 -0.057 0.000 1.005 155 S CB -0.130 63.082 63.200 0.020 0.000 0.867 155 S HN 0.182 nan 8.310 nan 0.000 0.449 156 V N 1.390 121.341 119.914 0.061 0.000 2.343 156 V HA -0.116 4.005 4.120 0.001 0.000 0.247 156 V C 2.449 178.593 176.094 0.085 0.000 1.051 156 V CA 1.790 64.153 62.300 0.104 0.000 1.036 156 V CB -0.638 31.229 31.823 0.072 0.000 0.654 156 V HN 0.422 nan 8.190 nan 0.000 0.451 157 V N -0.022 119.921 119.914 0.048 0.000 2.427 157 V HA -0.252 3.869 4.120 0.001 0.000 0.248 157 V C 2.471 178.551 176.094 -0.022 0.000 1.051 157 V CA 2.138 64.453 62.300 0.025 0.000 1.048 157 V CB -0.575 31.251 31.823 0.004 0.000 0.666 157 V HN 0.694 nan 8.190 nan 0.000 0.456 158 E N 0.165 120.309 120.200 -0.092 0.000 2.058 158 E HA -0.296 4.055 4.350 0.001 0.000 0.194 158 E C 2.100 178.606 176.600 -0.158 0.000 0.997 158 E CA 2.181 58.480 56.400 -0.168 0.000 0.801 158 E CB -0.219 29.305 29.700 -0.294 0.000 0.746 158 E HN 0.800 nan 8.360 nan 0.000 0.450 159 H N -0.545 118.524 119.070 -0.002 0.000 2.389 159 H HA 0.002 4.559 4.556 0.001 0.000 0.299 159 H C 2.366 177.696 175.328 0.003 0.000 1.081 159 H CA 1.385 57.432 56.048 -0.003 0.000 1.345 159 H CB 0.043 29.801 29.762 -0.007 0.000 1.393 159 H HN 0.054 nan 8.280 nan 0.000 0.520 160 R N 0.505 121.072 120.500 0.111 0.000 2.073 160 R HA -0.106 4.234 4.340 0.001 0.000 0.234 160 R C 1.932 178.260 176.300 0.046 0.000 1.134 160 R CA 1.199 57.342 56.100 0.071 0.000 0.952 160 R CB -0.111 30.228 30.300 0.064 0.000 0.850 160 R HN 0.297 nan 8.270 nan 0.000 0.433 161 L N -0.396 120.842 121.223 0.025 0.000 2.109 161 L HA -0.081 4.259 4.340 0.001 0.000 0.207 161 L C 2.505 179.389 176.870 0.024 0.000 1.086 161 L CA 1.036 55.886 54.840 0.017 0.000 0.760 161 L CB -0.350 41.706 42.059 -0.004 0.000 0.910 161 L HN 0.176 nan 8.230 nan 0.000 0.437 162 R N 0.236 120.750 120.500 0.024 0.000 2.127 162 R HA -0.140 4.201 4.340 0.001 0.000 0.238 162 R C 2.316 178.643 176.300 0.044 0.000 1.134 162 R CA 1.299 57.419 56.100 0.033 0.000 0.975 162 R CB -0.388 29.939 30.300 0.044 0.000 0.865 162 R HN 0.333 nan 8.270 nan 0.000 0.447 163 A N 1.569 124.419 122.820 0.051 0.000 2.121 163 A HA -0.141 4.179 4.320 0.001 0.000 0.218 163 A C 1.620 179.226 177.584 0.036 0.000 1.154 163 A CA 1.069 53.132 52.037 0.043 0.000 0.679 163 A CB -0.186 18.840 19.000 0.043 0.000 0.795 163 A HN 0.407 nan 8.150 nan 0.000 0.458 164 R N -1.069 119.454 120.500 0.038 0.000 2.629 164 R HA 0.302 4.642 4.340 0.001 0.000 0.408 164 R C 1.237 177.560 176.300 0.037 0.000 1.057 164 R CA 0.281 56.404 56.100 0.038 0.000 1.119 164 R CB -0.483 29.845 30.300 0.046 0.000 1.403 164 R HN 0.449 nan 8.270 nan 0.000 0.576 165 Q N 1.058 120.880 119.800 0.036 0.000 2.096 165 Q HA -0.161 4.179 4.340 0.001 0.000 0.204 165 Q C 1.314 177.335 176.000 0.035 0.000 0.982 165 Q CA 1.654 57.480 55.803 0.039 0.000 0.850 165 Q CB 0.216 28.981 28.738 0.045 0.000 0.901 165 Q HN 0.364 nan 8.270 nan 0.000 0.422 166 Q N 0.208 120.026 119.800 0.030 0.000 2.187 166 Q HA -0.087 4.253 4.340 0.001 0.000 0.199 166 Q C 1.764 177.771 176.000 0.011 0.000 0.957 166 Q CA 0.895 56.711 55.803 0.022 0.000 0.857 166 Q CB -0.133 28.617 28.738 0.020 0.000 0.929 166 Q HN 0.324 nan 8.270 nan 0.000 0.453 167 K N 0.782 121.190 120.400 0.014 0.000 2.057 167 K HA -0.208 4.112 4.320 0.001 0.000 0.207 167 K C 1.960 178.557 176.600 -0.005 0.000 1.049 167 K CA 1.330 57.621 56.287 0.007 0.000 0.931 167 K CB 0.242 32.755 32.500 0.021 0.000 0.714 167 K HN -0.003 nan 8.250 nan 0.000 0.440 168 Q N 0.624 120.431 119.800 0.010 0.000 2.124 168 Q HA -0.060 4.281 4.340 0.001 0.000 0.202 168 Q C 1.689 177.672 176.000 -0.030 0.000 0.977 168 Q CA 1.884 57.687 55.803 0.001 0.000 0.850 168 Q CB -0.338 28.420 28.738 0.033 0.000 0.901 168 Q HN 0.368 nan 8.270 nan 0.000 0.429 169 A N 0.570 123.382 122.820 -0.014 0.000 1.940 169 A HA -0.221 4.100 4.320 0.001 0.000 0.219 169 A C 1.965 179.527 177.584 -0.036 0.000 1.176 169 A CA 1.778 53.803 52.037 -0.019 0.000 0.631 169 A CB -0.430 18.566 19.000 -0.006 0.000 0.814 169 A HN 0.392 nan 8.150 nan 0.000 0.446 170 K N -0.537 119.840 120.400 -0.038 0.000 2.062 170 K HA 0.051 4.372 4.320 0.001 0.000 0.205 170 K C 1.905 178.457 176.600 -0.080 0.000 1.051 170 K CA 1.050 57.309 56.287 -0.047 0.000 0.941 170 K CB -0.362 32.116 32.500 -0.036 0.000 0.719 170 K HN 0.451 nan 8.250 nan 0.000 0.440 171 L N 0.841 121.994 121.223 -0.117 0.000 2.012 171 L HA -0.228 4.113 4.340 0.001 0.000 0.210 171 L C 2.488 179.235 176.870 -0.205 0.000 1.073 171 L CA 1.503 56.213 54.840 -0.216 0.000 0.748 171 L CB -0.856 40.992 42.059 -0.352 0.000 0.891 171 L HN 0.226 nan 8.230 nan 0.000 0.431 172 T N -1.153 113.308 114.554 -0.156 0.000 2.684 172 T HA -0.249 4.102 4.350 0.001 0.000 0.267 172 T C 1.771 176.419 174.700 -0.087 0.000 1.036 172 T CA 1.669 63.685 62.100 -0.139 0.000 1.148 172 T CB -0.209 68.597 68.868 -0.104 0.000 0.863 172 T HN 0.237 nan 8.240 nan 0.000 0.436 173 E N 1.409 121.576 120.200 -0.055 0.000 2.160 173 E HA -0.146 4.205 4.350 0.001 0.000 0.195 173 E C 1.317 177.890 176.600 -0.045 0.000 0.991 173 E CA 1.254 57.633 56.400 -0.035 0.000 0.810 173 E CB -0.416 29.266 29.700 -0.030 0.000 0.742 173 E HN 0.458 nan 8.360 nan 0.000 0.466 174 D N -1.542 118.818 120.400 -0.067 0.000 2.336 174 D HA 0.181 4.822 4.640 0.001 0.000 0.229 174 D C 0.543 176.806 176.300 -0.061 0.000 1.061 174 D CA 0.890 54.854 54.000 -0.061 0.000 0.875 174 D CB 0.205 40.960 40.800 -0.075 0.000 0.904 174 D HN 0.334 nan 8.370 nan 0.000 0.525 175 G N 0.475 109.225 108.800 -0.082 0.000 2.132 175 G HA2 -0.243 3.718 3.960 0.001 0.000 0.228 175 G HA3 -0.243 3.718 3.960 0.001 0.000 0.228 175 G C 0.119 174.957 174.900 -0.103 0.000 1.000 175 G CA -0.369 44.681 45.100 -0.084 0.000 0.693 175 G HN 0.327 nan 8.290 nan 0.000 0.515 176 L N 0.722 121.844 121.223 -0.167 0.000 2.495 176 L HA 0.332 4.672 4.340 0.001 0.000 0.248 176 L C -2.306 174.481 176.870 -0.138 0.000 1.229 176 L CA -2.000 52.749 54.840 -0.152 0.000 0.942 176 L CB 1.622 43.412 42.059 -0.449 0.000 1.242 176 L HN -0.094 nan 8.230 nan 0.000 0.484 177 P HA 0.167 nan 4.420 nan 0.000 0.272 177 P C -0.909 176.473 177.300 0.137 0.000 1.240 177 P CA -0.377 62.614 63.100 -0.182 0.000 0.791 177 P CB 0.977 32.333 31.700 -0.574 0.000 0.978 178 L N 1.104 122.334 121.223 0.012 0.000 2.356 178 L HA 0.768 5.109 4.340 0.001 0.000 0.277 178 L C -0.212 176.492 176.870 -0.276 0.000 0.996 178 L CA -0.169 54.672 54.840 0.002 0.000 0.822 178 L CB 1.199 43.268 42.059 0.016 0.000 1.256 178 L HN 0.464 nan 8.230 nan 0.000 0.413 179 G N 3.776 112.288 108.800 -0.481 0.000 2.432 179 G HA2 0.647 4.608 3.960 0.001 0.000 0.331 179 G HA3 0.647 4.608 3.960 0.001 0.000 0.331 179 G C -1.682 172.914 174.900 -0.506 0.000 1.170 179 G CA -0.557 43.846 45.100 -1.162 0.000 0.943 179 G HN 0.506 nan 8.290 nan 0.000 0.483 180 V N 2.237 121.919 119.914 -0.386 0.000 2.483 180 V HA 0.360 4.481 4.120 0.001 0.000 0.297 180 V C -0.574 175.474 176.094 -0.076 0.000 1.027 180 V CA -1.235 60.963 62.300 -0.171 0.000 0.855 180 V CB 1.703 33.456 31.823 -0.117 0.000 0.995 180 V HN 0.751 nan 8.190 nan 0.000 0.424 181 N N 5.143 123.814 118.700 -0.048 0.000 2.425 181 N HA 0.476 5.216 4.740 0.001 0.000 0.268 181 N C -1.145 174.351 175.510 -0.024 0.000 0.991 181 N CA -0.341 52.714 53.050 0.008 0.000 0.931 181 N CB 1.416 39.918 38.487 0.025 0.000 1.130 181 N HN 0.618 nan 8.380 nan 0.000 0.493 182 L N 2.481 123.724 121.223 0.033 0.000 2.282 182 L HA 0.556 4.896 4.340 0.001 0.000 0.288 182 L C 1.180 178.085 176.870 0.059 0.000 1.033 182 L CA -0.765 54.098 54.840 0.039 0.000 0.807 182 L CB 1.646 43.800 42.059 0.158 0.000 1.209 182 L HN 0.500 nan 8.230 nan 0.000 0.423 183 G N 2.510 111.169 108.800 -0.234 0.000 2.938 183 G HA2 0.706 4.666 3.960 0.001 0.000 0.258 183 G HA3 0.706 4.666 3.960 0.001 0.000 0.258 183 G C -1.273 173.372 174.900 -0.425 0.000 1.356 183 G CA -0.540 44.284 45.100 -0.461 0.000 1.052 183 G HN 0.623 nan 8.290 nan 0.000 0.550 184 K N -0.979 119.257 120.400 -0.273 0.000 2.477 184 K HA 0.442 4.763 4.320 0.001 0.000 0.255 184 K C -0.911 175.688 176.600 -0.000 0.000 0.952 184 K CA -0.872 55.270 56.287 -0.242 0.000 0.826 184 K CB 1.895 34.189 32.500 -0.342 0.000 1.331 184 K HN 0.384 nan 8.250 nan 0.000 0.437 185 N N 1.409 120.089 118.700 -0.033 0.000 2.479 185 N HA -0.023 4.718 4.740 0.001 0.000 0.257 185 N C 0.588 176.139 175.510 0.067 0.000 1.232 185 N CA -0.199 52.871 53.050 0.033 0.000 0.920 185 N CB 1.022 39.509 38.487 -0.000 0.000 1.105 185 N HN 0.687 nan 8.380 nan 0.000 0.444 186 K N 0.435 120.888 120.400 0.088 0.000 2.063 186 K HA -0.179 4.141 4.320 0.001 0.000 0.208 186 K C 1.204 177.830 176.600 0.043 0.000 1.048 186 K CA 1.712 58.042 56.287 0.071 0.000 0.928 186 K CB -0.119 32.420 32.500 0.065 0.000 0.713 186 K HN 0.776 nan 8.250 nan 0.000 0.442 187 T N -1.682 112.891 114.554 0.032 0.000 3.129 187 T HA 0.067 4.418 4.350 0.001 0.000 0.251 187 T C 0.741 175.450 174.700 0.014 0.000 1.117 187 T CA -0.145 61.968 62.100 0.021 0.000 1.034 187 T CB 0.177 69.055 68.868 0.017 0.000 0.968 187 T HN 0.075 nan 8.240 nan 0.000 0.526 188 S N 0.761 116.468 115.700 0.011 0.000 2.544 188 S HA 0.118 4.589 4.470 0.001 0.000 0.290 188 S C 1.337 175.941 174.600 0.007 0.000 1.276 188 S CA -0.529 57.670 58.200 -0.002 0.000 1.075 188 S CB 0.353 63.538 63.200 -0.024 0.000 0.849 188 S HN 0.258 nan 8.310 nan 0.000 0.494 189 V N 3.460 123.378 119.914 0.006 0.000 2.488 189 V HA 0.053 4.173 4.120 0.001 0.000 0.246 189 V C 0.904 177.008 176.094 0.017 0.000 1.046 189 V CA 1.433 63.740 62.300 0.012 0.000 1.053 189 V CB -0.307 31.522 31.823 0.010 0.000 0.679 189 V HN 0.861 nan 8.190 nan 0.000 0.458 190 D N -0.758 119.649 120.400 0.011 0.000 2.454 190 D HA 0.511 5.151 4.640 0.001 0.000 0.247 190 D C 0.750 177.061 176.300 0.019 0.000 1.129 190 D CA 0.297 54.310 54.000 0.021 0.000 0.877 190 D CB 1.617 42.428 40.800 0.018 0.000 1.082 190 D HN 0.075 nan 8.370 nan 0.000 0.537 191 A N 3.494 126.343 122.820 0.048 0.000 1.902 191 A HA 0.012 4.332 4.320 0.001 0.000 0.217 191 A C 2.090 179.752 177.584 0.131 0.000 1.181 191 A CA 1.741 53.816 52.037 0.063 0.000 0.623 191 A CB -0.525 18.576 19.000 0.168 0.000 0.818 191 A HN 0.606 nan 8.150 nan 0.000 0.443 192 A N -0.454 122.470 122.820 0.173 0.000 1.972 192 A HA -0.143 4.178 4.320 0.001 0.000 0.219 192 A C 1.961 179.628 177.584 0.138 0.000 1.169 192 A CA 2.139 54.301 52.037 0.208 0.000 0.635 192 A CB -0.401 18.674 19.000 0.125 0.000 0.810 192 A HN 0.522 nan 8.150 nan 0.000 0.446 193 E N 0.484 120.722 120.200 0.062 0.000 2.107 193 E HA -0.131 4.219 4.350 0.001 0.000 0.191 193 E C 1.313 177.905 176.600 -0.014 0.000 0.982 193 E CA 1.402 57.818 56.400 0.027 0.000 0.809 193 E CB -0.307 29.400 29.700 0.012 0.000 0.756 193 E HN 0.523 nan 8.360 nan 0.000 0.459 194 D N -0.770 119.581 120.400 -0.083 0.000 2.104 194 D HA -0.181 4.460 4.640 0.001 0.000 0.194 194 D C 1.626 177.807 176.300 -0.198 0.000 0.994 194 D CA 1.310 55.196 54.000 -0.191 0.000 0.830 194 D CB -0.355 40.242 40.800 -0.338 0.000 0.959 194 D HN 0.361 nan 8.370 nan 0.000 0.452 195 Y N 0.667 120.972 120.300 0.007 0.000 2.242 195 Y HA -0.065 4.486 4.550 0.001 0.000 0.291 195 Y C 2.455 178.357 175.900 0.003 0.000 1.137 195 Y CA 0.826 58.929 58.100 0.004 0.000 1.181 195 Y CB -0.280 38.190 38.460 0.017 0.000 0.989 195 Y HN -0.072 nan 8.280 nan 0.000 0.527 196 A N 0.422 123.330 122.820 0.146 0.000 1.902 196 A HA -0.236 4.085 4.320 0.001 0.000 0.217 196 A C 2.001 179.612 177.584 0.045 0.000 1.181 196 A CA 1.912 53.999 52.037 0.084 0.000 0.623 196 A CB -0.604 18.434 19.000 0.063 0.000 0.818 196 A HN 0.516 nan 8.150 nan 0.000 0.443 197 E N -0.794 119.417 120.200 0.019 0.000 2.085 197 E HA -0.146 4.204 4.350 0.001 0.000 0.194 197 E C 2.162 178.759 176.600 -0.006 0.000 0.994 197 E CA 0.867 57.264 56.400 -0.005 0.000 0.801 197 E CB -0.397 29.286 29.700 -0.028 0.000 0.743 197 E HN 0.622 nan 8.360 nan 0.000 0.453 198 G N 0.855 109.655 108.800 0.001 0.000 2.422 198 G HA2 -0.231 3.729 3.960 0.001 0.000 0.218 198 G HA3 -0.231 3.729 3.960 0.001 0.000 0.218 198 G C 1.738 176.650 174.900 0.020 0.000 1.146 198 G CA 0.709 45.810 45.100 0.003 0.000 0.769 198 G HN 0.119 nan 8.290 nan 0.000 0.547 199 V N 0.599 120.540 119.914 0.045 0.000 2.343 199 V HA -0.171 3.950 4.120 0.001 0.000 0.247 199 V C 2.928 179.035 176.094 0.022 0.000 1.051 199 V CA 1.968 64.293 62.300 0.042 0.000 1.036 199 V CB -0.443 31.413 31.823 0.055 0.000 0.654 199 V HN 0.319 nan 8.190 nan 0.000 0.451 200 R N -0.596 119.912 120.500 0.013 0.000 2.092 200 R HA -0.081 4.260 4.340 0.001 0.000 0.231 200 R C 2.159 178.446 176.300 -0.020 0.000 1.119 200 R CA 1.373 57.472 56.100 -0.002 0.000 0.970 200 R CB -0.328 29.970 30.300 -0.003 0.000 0.864 200 R HN 0.430 nan 8.270 nan 0.000 0.440 201 V N 0.595 120.492 119.914 -0.027 0.000 2.500 201 V HA -0.071 4.049 4.120 0.001 0.000 0.243 201 V C 1.977 178.039 176.094 -0.053 0.000 1.039 201 V CA 1.280 63.550 62.300 -0.051 0.000 1.053 201 V CB -0.087 31.699 31.823 -0.061 0.000 0.695 201 V HN 0.240 nan 8.190 nan 0.000 0.463 202 L N -0.093 121.108 121.223 -0.036 0.000 2.556 202 L HA 0.279 4.620 4.340 0.001 0.000 0.226 202 L C 2.463 179.326 176.870 -0.012 0.000 1.089 202 L CA 0.799 55.618 54.840 -0.034 0.000 0.864 202 L CB -0.610 41.425 42.059 -0.040 0.000 1.067 202 L HN 0.424 nan 8.230 nan 0.000 0.477 203 G N 1.983 110.786 108.800 0.005 0.000 2.469 203 G HA2 -0.209 3.752 3.960 0.001 0.000 0.219 203 G HA3 -0.209 3.752 3.960 0.001 0.000 0.219 203 G C -0.842 174.088 174.900 0.050 0.000 1.150 203 G CA 0.766 45.884 45.100 0.030 0.000 0.763 203 G HN 0.296 nan 8.290 nan 0.000 0.561 204 P HA 0.062 nan 4.420 nan 0.000 0.230 204 P C 1.334 178.710 177.300 0.127 0.000 1.158 204 P CA 0.706 63.851 63.100 0.075 0.000 0.769 204 P CB 0.013 31.665 31.700 -0.080 0.000 0.807 205 L N -2.806 118.449 121.223 0.054 0.000 2.693 205 L HA 0.348 4.688 4.340 0.001 0.000 0.235 205 L C 0.851 177.733 176.870 0.019 0.000 1.127 205 L CA -0.366 54.500 54.840 0.044 0.000 0.914 205 L CB 0.137 42.197 42.059 0.002 0.000 1.193 205 L HN -0.164 nan 8.230 nan 0.000 0.502 206 A N -0.897 121.931 122.820 0.014 0.000 2.355 206 A HA 0.411 4.731 4.320 0.001 0.000 0.324 206 A C 0.025 177.601 177.584 -0.013 0.000 1.117 206 A CA -0.541 51.474 52.037 -0.038 0.000 0.785 206 A CB 0.989 19.946 19.000 -0.071 0.000 1.254 206 A HN 0.015 nan 8.150 nan 0.000 0.453 207 D N -0.373 119.981 120.400 -0.078 0.000 2.162 207 D HA 0.066 4.706 4.640 0.001 0.000 0.203 207 D C -0.063 176.318 176.300 0.136 0.000 0.967 207 D CA 2.059 56.020 54.000 -0.064 0.000 0.840 207 D CB 0.048 40.599 40.800 -0.415 0.000 0.972 207 D HN 0.659 nan 8.370 nan 0.000 0.482 208 Y N -1.223 119.096 120.300 0.032 0.000 2.562 208 Y HA 0.601 5.151 4.550 0.001 0.000 0.345 208 Y C -1.363 174.575 175.900 0.063 0.000 1.045 208 Y CA -1.316 56.827 58.100 0.072 0.000 1.028 208 Y CB 0.990 39.507 38.460 0.095 0.000 1.297 208 Y HN -0.346 nan 8.280 nan 0.000 0.463 209 L N 3.395 124.769 121.223 0.252 0.000 2.334 209 L HA 0.786 5.127 4.340 0.001 0.000 0.273 209 L C -0.990 176.027 176.870 0.244 0.000 1.013 209 L CA -1.488 53.444 54.840 0.153 0.000 0.816 209 L CB 2.095 44.214 42.059 0.099 0.000 1.278 209 L HN 0.601 nan 8.230 nan 0.000 0.431 210 V N 2.736 122.758 119.914 0.180 0.000 2.487 210 V HA 0.309 4.429 4.120 0.001 0.000 0.298 210 V C -0.121 176.024 176.094 0.086 0.000 1.028 210 V CA -0.715 61.684 62.300 0.164 0.000 0.860 210 V CB 2.021 33.967 31.823 0.205 0.000 0.991 210 V HN 0.390 nan 8.190 nan 0.000 0.427 211 V N 4.282 124.206 119.914 0.017 0.000 2.353 211 V HA 0.267 4.388 4.120 0.001 0.000 0.264 211 V C 0.368 176.424 176.094 -0.063 0.000 1.049 211 V CA -0.368 61.865 62.300 -0.112 0.000 0.896 211 V CB 1.057 32.723 31.823 -0.261 0.000 1.025 211 V HN 0.863 nan 8.190 nan 0.000 0.475 212 N N 4.846 123.575 118.700 0.048 0.000 2.521 212 N HA 0.163 4.904 4.740 0.001 0.000 0.236 212 N C 0.225 175.841 175.510 0.177 0.000 1.067 212 N CA -0.377 52.762 53.050 0.149 0.000 0.939 212 N CB 1.454 40.094 38.487 0.255 0.000 1.201 212 N HN 0.509 nan 8.380 nan 0.000 0.511 213 V N 1.229 121.191 119.914 0.080 0.000 3.099 213 V HA 0.322 4.443 4.120 0.001 0.000 0.356 213 V C 0.679 176.828 176.094 0.091 0.000 1.364 213 V CA 0.312 62.664 62.300 0.086 0.000 1.229 213 V CB -0.604 31.220 31.823 0.002 0.000 1.227 213 V HN 0.559 nan 8.190 nan 0.000 0.493 214 S N -1.981 113.786 115.700 0.111 0.000 2.847 214 S HA 0.268 4.739 4.470 0.001 0.000 0.254 214 S C 0.624 175.264 174.600 0.067 0.000 1.039 214 S CA 0.361 58.607 58.200 0.077 0.000 1.113 214 S CB 0.148 63.388 63.200 0.068 0.000 1.092 214 S HN 0.559 nan 8.310 nan 0.000 0.620 215 S N 3.159 118.903 115.700 0.075 0.000 2.533 215 S HA 0.302 4.773 4.470 0.001 0.000 0.282 215 S C -1.734 172.824 174.600 -0.071 0.000 1.304 215 S CA -0.917 57.265 58.200 -0.030 0.000 1.063 215 S CB 0.737 63.786 63.200 -0.253 0.000 0.881 215 S HN 0.168 nan 8.310 nan 0.000 0.493 216 P HA 0.092 nan 4.420 nan 0.000 0.233 216 P C 0.153 177.406 177.300 -0.077 0.000 1.167 216 P CA 0.582 63.653 63.100 -0.048 0.000 0.770 216 P CB 0.110 31.795 31.700 -0.025 0.000 0.837 217 N N -1.652 116.961 118.700 -0.145 0.000 2.204 217 N HA 0.088 4.829 4.740 0.001 0.000 0.219 217 N C -0.294 175.098 175.510 -0.196 0.000 1.151 217 N CA 0.380 53.343 53.050 -0.145 0.000 0.867 217 N CB 0.597 39.010 38.487 -0.125 0.000 1.043 217 N HN 0.000 nan 8.380 nan 0.000 0.516 218 T N 0.636 115.057 114.554 -0.221 0.000 2.847 218 T HA 0.475 4.826 4.350 0.001 0.000 0.291 218 T C -0.081 174.584 174.700 -0.060 0.000 0.998 218 T CA -0.618 61.392 62.100 -0.150 0.000 0.967 218 T CB 2.033 70.782 68.868 -0.199 0.000 0.954 218 T HN 0.136 nan 8.240 nan 0.000 0.441 219 A N 2.069 124.873 122.820 -0.027 0.000 2.548 219 A HA 0.519 4.840 4.320 0.001 0.000 0.247 219 A C 1.599 179.190 177.584 0.012 0.000 1.067 219 A CA 0.705 52.738 52.037 -0.006 0.000 0.757 219 A CB -0.787 18.213 19.000 0.000 0.000 0.996 219 A HN 1.652 nan 8.150 nan 0.000 0.504 220 G N 1.250 110.060 108.800 0.016 0.000 2.241 220 G HA2 -0.257 3.704 3.960 0.001 0.000 0.244 220 G HA3 -0.257 3.704 3.960 0.001 0.000 0.244 220 G C 0.900 175.830 174.900 0.050 0.000 0.998 220 G CA 0.687 45.806 45.100 0.032 0.000 0.621 220 G HN 1.342 nan 8.290 nan 0.000 0.519 221 L N 0.880 122.136 121.223 0.054 0.000 2.017 221 L HA 0.220 4.560 4.340 0.001 0.000 0.208 221 L C 2.779 179.700 176.870 0.086 0.000 1.073 221 L CA 2.780 57.679 54.840 0.097 0.000 0.745 221 L CB -0.388 41.731 42.059 0.100 0.000 0.894 221 L HN 0.368 nan 8.230 nan 0.000 0.432 222 R N -0.887 119.644 120.500 0.052 0.000 2.237 222 R HA -0.058 4.282 4.340 0.001 0.000 0.219 222 R C 2.191 178.514 176.300 0.038 0.000 1.080 222 R CA 1.074 57.200 56.100 0.043 0.000 0.995 222 R CB -0.394 29.922 30.300 0.026 0.000 0.875 222 R HN 0.601 nan 8.270 nan 0.000 0.462 223 S N 0.393 116.116 115.700 0.039 0.000 2.607 223 S HA 0.031 4.502 4.470 0.001 0.000 0.224 223 S C 1.704 176.327 174.600 0.039 0.000 0.969 223 S CA 0.322 58.542 58.200 0.033 0.000 0.927 223 S CB -0.161 63.057 63.200 0.030 0.000 0.772 223 S HN 0.245 nan 8.310 nan 0.000 0.533 224 L N 0.496 121.751 121.223 0.052 0.000 2.633 224 L HA 0.027 4.368 4.340 0.001 0.000 0.235 224 L C 2.406 179.291 176.870 0.025 0.000 1.163 224 L CA 0.704 55.575 54.840 0.051 0.000 0.859 224 L CB -0.519 41.588 42.059 0.080 0.000 0.973 224 L HN 0.435 nan 8.230 nan 0.000 0.451 225 Q N -0.200 119.615 119.800 0.024 0.000 2.424 225 Q HA 0.100 4.440 4.340 0.001 0.000 0.204 225 Q C 1.321 177.328 176.000 0.012 0.000 0.933 225 Q CA 0.081 55.892 55.803 0.014 0.000 0.929 225 Q CB 0.259 29.008 28.738 0.017 0.000 1.037 225 Q HN 0.491 nan 8.270 nan 0.000 0.511 226 G N 0.838 109.647 108.800 0.015 0.000 2.667 226 G HA2 -0.039 3.922 3.960 0.001 0.000 0.250 226 G HA3 -0.039 3.922 3.960 0.001 0.000 0.250 226 G C 0.293 175.199 174.900 0.010 0.000 1.212 226 G CA -0.290 44.817 45.100 0.013 0.000 0.874 226 G HN 0.088 nan 8.290 nan 0.000 0.561 227 K N 0.102 120.506 120.400 0.008 0.000 1.975 227 K HA 0.064 4.385 4.320 0.001 0.000 0.210 227 K C 2.698 179.302 176.600 0.006 0.000 1.041 227 K CA 1.389 57.679 56.287 0.005 0.000 0.942 227 K CB -0.357 32.146 32.500 0.004 0.000 0.729 227 K HN 0.424 nan 8.250 nan 0.000 0.439 228 A N 0.679 123.504 122.820 0.008 0.000 2.015 228 A HA -0.149 4.171 4.320 0.001 0.000 0.219 228 A C 1.967 179.558 177.584 0.012 0.000 1.163 228 A CA 1.622 53.664 52.037 0.009 0.000 0.646 228 A CB -0.458 18.548 19.000 0.010 0.000 0.806 228 A HN 0.603 nan 8.150 nan 0.000 0.448 229 E N -0.758 119.451 120.200 0.015 0.000 2.112 229 E HA -0.102 4.249 4.350 0.001 0.000 0.190 229 E C 1.839 178.450 176.600 0.018 0.000 0.979 229 E CA 0.853 57.266 56.400 0.021 0.000 0.814 229 E CB -0.092 29.623 29.700 0.026 0.000 0.762 229 E HN 0.471 nan 8.360 nan 0.000 0.460 230 L N 1.263 122.492 121.223 0.010 0.000 2.109 230 L HA -0.072 4.268 4.340 0.001 0.000 0.207 230 L C 2.387 179.254 176.870 -0.005 0.000 1.086 230 L CA 1.574 56.413 54.840 -0.002 0.000 0.760 230 L CB -0.341 41.715 42.059 -0.006 0.000 0.910 230 L HN -0.024 nan 8.230 nan 0.000 0.437 231 R N -0.398 120.102 120.500 0.001 0.000 2.075 231 R HA -0.201 4.140 4.340 0.001 0.000 0.232 231 R C 2.542 178.845 176.300 0.005 0.000 1.126 231 R CA 1.614 57.715 56.100 0.000 0.000 0.963 231 R CB -0.269 30.032 30.300 0.002 0.000 0.858 231 R HN 0.417 nan 8.270 nan 0.000 0.435 232 R N 0.480 120.986 120.500 0.011 0.000 2.075 232 R HA -0.145 4.195 4.340 0.001 0.000 0.232 232 R C 2.342 178.655 176.300 0.022 0.000 1.126 232 R CA 1.533 57.644 56.100 0.018 0.000 0.963 232 R CB -0.469 29.844 30.300 0.022 0.000 0.858 232 R HN 0.287 nan 8.270 nan 0.000 0.435 233 L N 1.021 122.257 121.223 0.022 0.000 2.017 233 L HA -0.109 4.231 4.340 0.001 0.000 0.208 233 L C 1.937 178.807 176.870 0.001 0.000 1.073 233 L CA 1.780 56.634 54.840 0.024 0.000 0.745 233 L CB -0.397 41.667 42.059 0.009 0.000 0.894 233 L HN 0.283 nan 8.230 nan 0.000 0.432 234 L N -1.355 119.858 121.223 -0.016 0.000 2.240 234 L HA -0.088 4.252 4.340 0.001 0.000 0.211 234 L C 2.276 179.144 176.870 -0.003 0.000 1.106 234 L CA 1.052 55.878 54.840 -0.023 0.000 0.793 234 L CB -0.918 41.124 42.059 -0.029 0.000 0.927 234 L HN 0.263 nan 8.230 nan 0.000 0.446 235 T N -0.223 114.333 114.554 0.004 0.000 2.746 235 T HA -0.235 4.115 4.350 0.001 0.000 0.267 235 T C 1.944 176.654 174.700 0.016 0.000 1.039 235 T CA 1.505 63.610 62.100 0.009 0.000 1.142 235 T CB -0.041 68.834 68.868 0.010 0.000 0.866 235 T HN 0.248 nan 8.240 nan 0.000 0.444 236 K N 0.695 121.109 120.400 0.023 0.000 2.057 236 K HA -0.051 4.270 4.320 0.001 0.000 0.206 236 K C 2.219 178.841 176.600 0.037 0.000 1.050 236 K CA 0.876 57.182 56.287 0.033 0.000 0.935 236 K CB -0.265 32.262 32.500 0.045 0.000 0.715 236 K HN 0.111 nan 8.250 nan 0.000 0.439 237 V N 1.868 121.803 119.914 0.036 0.000 2.287 237 V HA -0.274 3.847 4.120 0.001 0.000 0.248 237 V C 2.307 178.420 176.094 0.031 0.000 1.053 237 V CA 1.728 64.051 62.300 0.038 0.000 1.027 237 V CB -0.364 31.466 31.823 0.013 0.000 0.646 237 V HN 0.341 nan 8.190 nan 0.000 0.447 238 L N -0.549 120.687 121.223 0.021 0.000 2.141 238 L HA -0.204 4.136 4.340 0.001 0.000 0.209 238 L C 2.608 179.492 176.870 0.023 0.000 1.094 238 L CA 1.665 56.518 54.840 0.021 0.000 0.763 238 L CB -0.535 41.532 42.059 0.014 0.000 0.908 238 L HN 0.421 nan 8.230 nan 0.000 0.437 239 Q N 0.073 119.886 119.800 0.022 0.000 2.046 239 Q HA -0.209 4.132 4.340 0.001 0.000 0.200 239 Q C 2.071 178.086 176.000 0.025 0.000 0.975 239 Q CA 1.317 57.133 55.803 0.022 0.000 0.836 239 Q CB 0.163 28.913 28.738 0.020 0.000 0.896 239 Q HN 0.400 nan 8.270 nan 0.000 0.428 240 E N 0.436 120.654 120.200 0.029 0.000 2.085 240 E HA -0.212 4.138 4.350 0.001 0.000 0.194 240 E C 2.022 178.642 176.600 0.032 0.000 0.994 240 E CA 0.753 57.171 56.400 0.031 0.000 0.801 240 E CB -0.280 29.442 29.700 0.037 0.000 0.743 240 E HN 0.269 nan 8.360 nan 0.000 0.453 241 R N 1.300 121.821 120.500 0.036 0.000 2.073 241 R HA -0.135 4.206 4.340 0.001 0.000 0.234 241 R C 1.306 177.629 176.300 0.039 0.000 1.134 241 R CA 1.365 57.490 56.100 0.042 0.000 0.952 241 R CB -0.304 30.023 30.300 0.045 0.000 0.850 241 R HN 0.071 nan 8.270 nan 0.000 0.433 242 D N -0.737 119.682 120.400 0.032 0.000 2.310 242 D HA -0.061 4.579 4.640 0.001 0.000 0.212 242 D C 1.466 177.782 176.300 0.027 0.000 0.965 242 D CA 1.198 55.215 54.000 0.028 0.000 0.879 242 D CB -0.315 40.498 40.800 0.022 0.000 0.921 242 D HN 0.473 nan 8.370 nan 0.000 0.510 243 G N -0.113 108.703 108.800 0.027 0.000 2.744 243 G HA2 0.059 4.020 3.960 0.001 0.000 0.211 243 G HA3 0.059 4.020 3.960 0.001 0.000 0.211 243 G C 0.723 175.639 174.900 0.027 0.000 1.143 243 G CA -0.135 44.979 45.100 0.024 0.000 0.788 243 G HN 0.183 nan 8.290 nan 0.000 0.534 244 L N 0.430 121.675 121.223 0.037 0.000 2.418 244 L HA 0.379 4.719 4.340 0.001 0.000 0.265 244 L C 0.712 177.620 176.870 0.062 0.000 1.143 244 L CA -0.944 53.925 54.840 0.048 0.000 0.809 244 L CB 0.964 43.061 42.059 0.063 0.000 1.124 244 L HN 0.031 nan 8.230 nan 0.000 0.456 245 R N 0.925 121.473 120.500 0.080 0.000 2.679 245 R HA -0.001 4.340 4.340 0.001 0.000 0.268 245 R C 1.271 177.630 176.300 0.098 0.000 1.044 245 R CA -0.018 56.138 56.100 0.093 0.000 1.105 245 R CB 0.454 30.830 30.300 0.127 0.000 0.989 245 R HN 0.510 nan 8.270 nan 0.000 0.447 246 R N 2.035 122.568 120.500 0.055 0.000 2.096 246 R HA -0.182 4.158 4.340 0.001 0.000 0.240 246 R C 1.655 177.954 176.300 -0.001 0.000 1.139 246 R CA 2.345 58.460 56.100 0.026 0.000 0.952 246 R CB -0.337 29.968 30.300 0.008 0.000 0.854 246 R HN 0.637 nan 8.270 nan 0.000 0.436 247 V N -2.164 117.724 119.914 -0.042 0.000 3.078 247 V HA -0.089 4.032 4.120 0.001 0.000 0.265 247 V C 0.973 176.880 176.094 -0.310 0.000 1.122 247 V CA 1.509 63.702 62.300 -0.179 0.000 1.141 247 V CB -0.632 31.038 31.823 -0.254 0.000 0.735 247 V HN 0.372 nan 8.190 nan 0.000 0.498 248 H N 0.560 119.644 119.070 0.024 0.000 2.475 248 H HA 0.440 4.997 4.556 0.001 0.000 0.276 248 H C 0.273 175.622 175.328 0.034 0.000 1.126 248 H CA -0.261 55.803 56.048 0.027 0.000 1.023 248 H CB 0.456 30.229 29.762 0.017 0.000 1.669 248 H HN 0.422 nan 8.280 nan 0.000 0.573 249 R N 3.079 123.641 120.500 0.102 0.000 2.215 249 R HA 0.219 4.559 4.340 0.001 0.000 0.337 249 R C -2.547 173.810 176.300 0.096 0.000 1.010 249 R CA -1.512 54.641 56.100 0.088 0.000 0.871 249 R CB 0.934 31.271 30.300 0.061 0.000 1.134 249 R HN 0.078 nan 8.270 nan 0.000 0.477 250 P HA 0.145 nan 4.420 nan 0.000 0.276 250 P C -0.802 176.582 177.300 0.141 0.000 1.244 250 P CA -0.418 62.766 63.100 0.139 0.000 0.801 250 P CB 1.160 32.931 31.700 0.118 0.000 1.006 251 A N 1.871 124.804 122.820 0.189 0.000 2.425 251 A HA 0.351 4.672 4.320 0.001 0.000 0.242 251 A C -0.062 177.615 177.584 0.155 0.000 1.077 251 A CA -0.203 51.928 52.037 0.156 0.000 0.781 251 A CB -0.086 19.017 19.000 0.173 0.000 1.020 251 A HN 0.376 nan 8.150 nan 0.000 0.494 252 V N 2.983 122.956 119.914 0.100 0.000 2.409 252 V HA 0.441 4.562 4.120 0.001 0.000 0.291 252 V C -0.547 175.581 176.094 0.057 0.000 1.020 252 V CA -0.253 62.100 62.300 0.088 0.000 0.848 252 V CB 1.018 32.873 31.823 0.054 0.000 0.990 252 V HN 0.720 nan 8.190 nan 0.000 0.430 253 L N 5.007 126.272 121.223 0.071 0.000 2.333 253 L HA 0.696 5.036 4.340 0.001 0.000 0.269 253 L C -0.273 176.611 176.870 0.023 0.000 1.010 253 L CA -0.506 54.350 54.840 0.026 0.000 0.818 253 L CB 2.180 44.235 42.059 -0.006 0.000 1.306 253 L HN 0.359 nan 8.230 nan 0.000 0.430 254 V N 1.470 121.385 119.914 0.002 0.000 2.435 254 V HA 0.449 4.570 4.120 0.001 0.000 0.290 254 V C -0.184 175.918 176.094 0.014 0.000 1.030 254 V CA -0.863 61.434 62.300 -0.005 0.000 0.881 254 V CB 1.602 33.412 31.823 -0.021 0.000 0.983 254 V HN 0.636 nan 8.190 nan 0.000 0.445 255 K N 5.780 126.198 120.400 0.030 0.000 2.235 255 K HA 0.690 5.011 4.320 0.001 0.000 0.266 255 K C -0.666 175.962 176.600 0.047 0.000 0.980 255 K CA -0.534 55.784 56.287 0.051 0.000 0.849 255 K CB 1.170 33.721 32.500 0.085 0.000 1.098 255 K HN 0.786 nan 8.250 nan 0.000 0.445 256 I N 0.394 120.990 120.570 0.042 0.000 2.910 256 I HA 0.684 4.855 4.170 0.001 0.000 0.310 256 I C -0.269 175.872 176.117 0.041 0.000 1.043 256 I CA -1.229 60.093 61.300 0.036 0.000 1.053 256 I CB 1.970 39.985 38.000 0.025 0.000 1.242 256 I HN 0.599 nan 8.210 nan 0.000 0.452 257 A N 3.598 126.439 122.820 0.036 0.000 2.313 257 A HA 0.577 4.897 4.320 0.001 0.000 0.261 257 A C -1.804 175.797 177.584 0.028 0.000 1.090 257 A CA -1.417 50.640 52.037 0.033 0.000 0.807 257 A CB -0.368 18.648 19.000 0.027 0.000 1.055 257 A HN 0.755 nan 8.150 nan 0.000 0.492 258 P HA 0.038 nan 4.420 nan 0.000 0.249 258 P C -0.276 177.034 177.300 0.017 0.000 1.229 258 P CA 0.699 63.811 63.100 0.021 0.000 0.788 258 P CB 0.244 31.956 31.700 0.020 0.000 1.072 259 D N 0.098 120.508 120.400 0.016 0.000 2.587 259 D HA 0.191 4.831 4.640 0.001 0.000 0.233 259 D C 0.492 176.799 176.300 0.012 0.000 1.213 259 D CA -0.018 53.989 54.000 0.012 0.000 0.827 259 D CB 0.329 41.134 40.800 0.009 0.000 1.006 259 D HN 0.243 nan 8.370 nan 0.000 0.490 260 L N 0.995 122.226 121.223 0.014 0.000 2.334 260 L HA 0.234 4.574 4.340 0.001 0.000 0.277 260 L C 1.377 178.254 176.870 0.012 0.000 1.075 260 L CA -0.602 54.246 54.840 0.014 0.000 0.804 260 L CB 1.111 43.180 42.059 0.016 0.000 1.174 260 L HN -0.039 nan 8.230 nan 0.000 0.438 261 T N -1.415 113.145 114.554 0.011 0.000 2.813 261 T HA 0.059 4.409 4.350 0.001 0.000 0.297 261 T C 1.217 175.923 174.700 0.011 0.000 1.036 261 T CA -0.528 61.578 62.100 0.010 0.000 1.044 261 T CB 1.007 69.880 68.868 0.008 0.000 0.993 261 T HN 0.580 nan 8.240 nan 0.000 0.535 262 S N 0.417 116.124 115.700 0.011 0.000 2.383 262 S HA -0.176 4.294 4.470 0.001 0.000 0.229 262 S C 2.055 176.662 174.600 0.011 0.000 1.030 262 S CA 1.490 59.697 58.200 0.012 0.000 1.002 262 S CB -0.571 62.636 63.200 0.011 0.000 0.829 262 S HN 0.853 nan 8.310 nan 0.000 0.467 263 Q N 1.591 121.396 119.800 0.009 0.000 2.079 263 Q HA -0.129 4.211 4.340 0.001 0.000 0.200 263 Q C 1.358 177.363 176.000 0.008 0.000 0.974 263 Q CA 1.618 57.426 55.803 0.008 0.000 0.840 263 Q CB -0.384 28.358 28.738 0.007 0.000 0.898 263 Q HN 0.349 nan 8.270 nan 0.000 0.430 264 D N 0.032 120.437 120.400 0.009 0.000 2.097 264 D HA -0.149 4.492 4.640 0.001 0.000 0.195 264 D C 1.657 177.962 176.300 0.009 0.000 0.989 264 D CA 1.360 55.365 54.000 0.009 0.000 0.827 264 D CB -0.050 40.757 40.800 0.011 0.000 0.966 264 D HN 0.327 nan 8.370 nan 0.000 0.456 265 K N 0.509 120.915 120.400 0.011 0.000 2.057 265 K HA -0.136 4.184 4.320 0.001 0.000 0.206 265 K C 2.103 178.708 176.600 0.008 0.000 1.050 265 K CA 0.901 57.196 56.287 0.012 0.000 0.935 265 K CB -0.065 32.445 32.500 0.017 0.000 0.715 265 K HN 0.181 nan 8.250 nan 0.000 0.439 266 E N 1.162 121.366 120.200 0.008 0.000 2.085 266 E HA -0.239 4.111 4.350 0.001 0.000 0.194 266 E C 1.238 177.838 176.600 0.001 0.000 0.994 266 E CA 1.642 58.044 56.400 0.004 0.000 0.801 266 E CB 0.117 29.820 29.700 0.005 0.000 0.743 266 E HN 0.188 nan 8.360 nan 0.000 0.453 267 D N 0.209 120.610 120.400 0.002 0.000 2.123 267 D HA -0.098 4.543 4.640 0.001 0.000 0.200 267 D C 2.031 178.330 176.300 -0.002 0.000 0.976 267 D CA 0.827 54.827 54.000 0.000 0.000 0.831 267 D CB -0.128 40.674 40.800 0.003 0.000 0.974 267 D HN 0.303 nan 8.370 nan 0.000 0.469 268 I N 1.085 121.654 120.570 -0.001 0.000 2.226 268 I HA -0.240 3.931 4.170 0.001 0.000 0.245 268 I C 2.428 178.540 176.117 -0.009 0.000 1.100 268 I CA 0.931 62.228 61.300 -0.004 0.000 1.374 268 I CB -0.169 37.831 38.000 -0.001 0.000 1.057 268 I HN -0.080 nan 8.210 nan 0.000 0.413 269 A N -0.170 122.645 122.820 -0.008 0.000 1.908 269 A HA -0.268 4.053 4.320 0.001 0.000 0.218 269 A C 2.496 180.068 177.584 -0.020 0.000 1.181 269 A CA 2.345 54.372 52.037 -0.016 0.000 0.627 269 A CB -0.860 18.131 19.000 -0.016 0.000 0.818 269 A HN 0.423 nan 8.150 nan 0.000 0.445 270 S N -0.734 114.957 115.700 -0.015 0.000 2.355 270 S HA -0.119 4.351 4.470 0.001 0.000 0.222 270 S C 1.906 176.498 174.600 -0.014 0.000 1.031 270 S CA 1.669 59.860 58.200 -0.014 0.000 0.993 270 S CB -0.504 62.690 63.200 -0.010 0.000 0.859 270 S HN 0.292 nan 8.310 nan 0.000 0.453 271 V N 1.487 121.394 119.914 -0.012 0.000 2.358 271 V HA -0.090 4.031 4.120 0.001 0.000 0.246 271 V C 2.531 178.616 176.094 -0.014 0.000 1.047 271 V CA 1.612 63.905 62.300 -0.011 0.000 1.035 271 V CB -0.694 31.124 31.823 -0.009 0.000 0.658 271 V HN 0.421 nan 8.190 nan 0.000 0.452 272 V N -0.170 119.733 119.914 -0.017 0.000 2.332 272 V HA -0.301 3.820 4.120 0.001 0.000 0.248 272 V C 2.436 178.516 176.094 -0.023 0.000 1.055 272 V CA 2.159 64.446 62.300 -0.021 0.000 1.038 272 V CB -0.618 31.191 31.823 -0.024 0.000 0.651 272 V HN 0.547 nan 8.190 nan 0.000 0.450 273 K N -0.548 119.836 120.400 -0.026 0.000 2.116 273 K HA -0.140 4.181 4.320 0.001 0.000 0.203 273 K C 2.216 178.802 176.600 -0.022 0.000 1.052 273 K CA 1.120 57.389 56.287 -0.029 0.000 0.952 273 K CB -0.107 32.372 32.500 -0.035 0.000 0.729 273 K HN 0.552 nan 8.250 nan 0.000 0.446 274 E N 1.251 121.440 120.200 -0.018 0.000 2.077 274 E HA -0.176 4.175 4.350 0.001 0.000 0.193 274 E C 1.653 178.247 176.600 -0.011 0.000 0.989 274 E CA 0.999 57.391 56.400 -0.013 0.000 0.800 274 E CB 0.120 29.814 29.700 -0.010 0.000 0.746 274 E HN 0.233 nan 8.360 nan 0.000 0.452 275 L N -0.647 120.569 121.223 -0.011 0.000 2.529 275 L HA 0.217 4.558 4.340 0.001 0.000 0.223 275 L C 1.252 178.117 176.870 -0.008 0.000 1.113 275 L CA 0.366 55.202 54.840 -0.008 0.000 0.861 275 L CB 0.265 42.320 42.059 -0.007 0.000 1.012 275 L HN 0.401 nan 8.230 nan 0.000 0.461 276 G N 1.403 110.196 108.800 -0.012 0.000 2.225 276 G HA2 -0.234 3.727 3.960 0.001 0.000 0.264 276 G HA3 -0.234 3.727 3.960 0.001 0.000 0.264 276 G C 0.231 175.126 174.900 -0.009 0.000 1.060 276 G CA -0.423 44.670 45.100 -0.012 0.000 0.833 276 G HN 0.126 nan 8.290 nan 0.000 0.498 277 I N 0.710 121.273 120.570 -0.012 0.000 2.815 277 I HA 0.028 4.198 4.170 0.001 0.000 0.291 277 I C 1.266 177.376 176.117 -0.013 0.000 1.209 277 I CA 0.247 61.541 61.300 -0.010 0.000 1.431 277 I CB 0.548 38.539 38.000 -0.015 0.000 1.351 277 I HN 0.174 nan 8.210 nan 0.000 0.585 278 D N 4.171 124.568 120.400 -0.005 0.000 2.277 278 D HA 0.101 4.742 4.640 0.001 0.000 0.208 278 D C 0.923 177.205 176.300 -0.030 0.000 0.962 278 D CA 0.678 54.673 54.000 -0.009 0.000 0.865 278 D CB 0.751 41.559 40.800 0.014 0.000 0.939 278 D HN 0.762 nan 8.370 nan 0.000 0.510 279 G N -0.457 108.322 108.800 -0.036 0.000 2.451 279 G HA2 0.495 4.455 3.960 0.001 0.000 0.292 279 G HA3 0.495 4.455 3.960 0.001 0.000 0.292 279 G C -1.936 172.936 174.900 -0.046 0.000 1.427 279 G CA -0.795 44.271 45.100 -0.057 0.000 0.792 279 G HN 0.019 nan 8.290 nan 0.000 0.498 280 L N 0.137 121.332 121.223 -0.046 0.000 2.362 280 L HA 0.644 4.985 4.340 0.001 0.000 0.271 280 L C -0.368 176.488 176.870 -0.023 0.000 1.002 280 L CA -0.924 53.902 54.840 -0.023 0.000 0.818 280 L CB 2.344 44.398 42.059 -0.008 0.000 1.298 280 L HN 0.358 nan 8.230 nan 0.000 0.420 281 I N 2.946 123.518 120.570 0.003 0.000 2.378 281 I HA 0.455 4.626 4.170 0.001 0.000 0.291 281 I C -0.889 175.249 176.117 0.036 0.000 0.992 281 I CA -0.768 60.546 61.300 0.023 0.000 1.154 281 I CB 1.935 39.968 38.000 0.056 0.000 1.315 281 I HN 0.186 nan 8.210 nan 0.000 0.448 282 V N 4.977 124.913 119.914 0.037 0.000 2.509 282 V HA 0.439 4.559 4.120 0.001 0.000 0.289 282 V C -0.062 176.057 176.094 0.041 0.000 1.026 282 V CA -0.393 61.929 62.300 0.037 0.000 0.872 282 V CB 1.625 33.468 31.823 0.033 0.000 1.017 282 V HN 0.934 nan 8.190 nan 0.000 0.436 283 T N 0.334 114.916 114.554 0.046 0.000 2.838 283 T HA 0.532 4.883 4.350 0.001 0.000 0.292 283 T C -0.235 174.499 174.700 0.057 0.000 1.113 283 T CA -0.742 61.386 62.100 0.047 0.000 1.008 283 T CB 2.232 71.123 68.868 0.038 0.000 1.259 283 T HN 0.337 nan 8.240 nan 0.000 0.520 284 N N 0.533 119.269 118.700 0.059 0.000 2.290 284 N HA 0.273 5.013 4.740 0.001 0.000 0.269 284 N C 0.393 175.932 175.510 0.048 0.000 1.295 284 N CA 0.291 53.381 53.050 0.067 0.000 0.932 284 N CB 0.788 39.319 38.487 0.072 0.000 1.128 284 N HN 0.967 nan 8.380 nan 0.000 0.532 285 T N -2.407 112.173 114.554 0.043 0.000 2.813 285 T HA 0.154 4.505 4.350 0.001 0.000 0.297 285 T C 0.471 175.182 174.700 0.018 0.000 1.036 285 T CA -0.441 61.673 62.100 0.023 0.000 1.044 285 T CB 0.678 69.555 68.868 0.013 0.000 0.993 285 T HN 0.377 nan 8.240 nan 0.000 0.535 286 T N 0.117 114.677 114.554 0.009 0.000 2.859 286 T HA 0.397 4.747 4.350 0.001 0.000 0.281 286 T C 1.142 175.842 174.700 -0.000 0.000 1.005 286 T CA -0.430 61.674 62.100 0.006 0.000 1.025 286 T CB 0.818 69.689 68.868 0.005 0.000 0.977 286 T HN 0.814 nan 8.240 nan 0.000 0.458 287 V N 2.499 122.412 119.914 -0.002 0.000 3.623 287 V HA 0.275 4.396 4.120 0.001 0.000 0.271 287 V C 1.071 177.158 176.094 -0.010 0.000 1.248 287 V CA 0.348 62.644 62.300 -0.008 0.000 1.156 287 V CB -1.212 30.606 31.823 -0.008 0.000 0.870 287 V HN 0.814 nan 8.190 nan 0.000 0.453 288 S N 1.487 117.183 115.700 -0.007 0.000 2.617 288 S HA 0.536 5.007 4.470 0.001 0.000 0.269 288 S C 0.087 174.679 174.600 -0.012 0.000 1.292 288 S CA -0.690 57.505 58.200 -0.009 0.000 1.010 288 S CB 1.090 64.287 63.200 -0.005 0.000 0.944 288 S HN 0.493 nan 8.310 nan 0.000 0.536 289 R N 2.010 122.501 120.500 -0.015 0.000 2.407 289 R HA 0.415 4.756 4.340 0.001 0.000 0.298 289 R C -2.878 173.413 176.300 -0.015 0.000 1.166 289 R CA -1.826 54.264 56.100 -0.017 0.000 1.006 289 R CB 0.396 30.682 30.300 -0.024 0.000 1.145 289 R HN 0.577 nan 8.270 nan 0.000 0.538 290 P HA 0.013 nan 4.420 nan 0.000 0.266 290 P C -0.250 177.043 177.300 -0.013 0.000 1.193 290 P CA -0.068 63.026 63.100 -0.011 0.000 0.770 290 P CB 0.584 32.278 31.700 -0.009 0.000 0.836 291 A N 2.178 124.991 122.820 -0.012 0.000 2.531 291 A HA 0.426 4.747 4.320 0.001 0.000 0.236 291 A C 1.484 179.060 177.584 -0.013 0.000 1.062 291 A CA 0.742 52.771 52.037 -0.012 0.000 0.760 291 A CB -1.020 17.973 19.000 -0.011 0.000 0.995 291 A HN 0.929 nan 8.150 nan 0.000 0.501 292 G N 0.757 109.549 108.800 -0.014 0.000 2.195 292 G HA2 -0.173 3.787 3.960 0.001 0.000 0.224 292 G HA3 -0.173 3.787 3.960 0.001 0.000 0.224 292 G C 0.174 175.064 174.900 -0.016 0.000 0.990 292 G CA 0.005 45.097 45.100 -0.014 0.000 0.639 292 G HN 0.824 nan 8.290 nan 0.000 0.514 293 L N 0.840 122.052 121.223 -0.017 0.000 2.540 293 L HA 0.177 4.518 4.340 0.001 0.000 0.276 293 L C 1.622 178.481 176.870 -0.018 0.000 1.212 293 L CA 0.134 54.963 54.840 -0.018 0.000 0.893 293 L CB 0.735 42.783 42.059 -0.019 0.000 1.138 293 L HN 0.130 nan 8.230 nan 0.000 0.491 294 Q N 2.278 122.068 119.800 -0.017 0.000 2.378 294 Q HA 0.150 4.490 4.340 0.001 0.000 0.229 294 Q C 0.895 176.887 176.000 -0.013 0.000 0.882 294 Q CA 0.202 55.997 55.803 -0.015 0.000 0.936 294 Q CB 0.554 29.284 28.738 -0.014 0.000 1.092 294 Q HN 0.812 nan 8.270 nan 0.000 0.535 295 G N 0.627 109.421 108.800 -0.010 0.000 2.414 295 G HA2 0.196 4.156 3.960 0.001 0.000 0.236 295 G HA3 0.196 4.156 3.960 0.001 0.000 0.236 295 G C 0.970 175.861 174.900 -0.015 0.000 1.293 295 G CA 0.474 45.571 45.100 -0.004 0.000 0.869 295 G HN 0.236 nan 8.290 nan 0.000 0.556 296 A N 2.204 125.017 122.820 -0.011 0.000 2.024 296 A HA -0.011 4.309 4.320 0.001 0.000 0.220 296 A C 1.985 179.542 177.584 -0.046 0.000 1.164 296 A CA 0.858 52.882 52.037 -0.023 0.000 0.643 296 A CB -0.142 18.850 19.000 -0.013 0.000 0.806 296 A HN 0.605 nan 8.150 nan 0.000 0.451 297 L N -0.136 121.058 121.223 -0.049 0.000 2.685 297 L HA 0.090 4.430 4.340 0.001 0.000 0.233 297 L C 2.098 178.889 176.870 -0.131 0.000 1.173 297 L CA 0.098 54.870 54.840 -0.113 0.000 0.961 297 L CB -0.239 41.767 42.059 -0.087 0.000 1.217 297 L HN 0.530 nan 8.230 nan 0.000 0.478 298 R N -1.207 119.243 120.500 -0.083 0.000 2.241 298 R HA -0.038 4.303 4.340 0.001 0.000 0.224 298 R C 1.328 177.574 176.300 -0.090 0.000 1.101 298 R CA 1.116 57.174 56.100 -0.069 0.000 0.995 298 R CB -0.391 29.882 30.300 -0.045 0.000 0.870 298 R HN 0.086 nan 8.270 nan 0.000 0.463 299 S N 0.550 116.182 115.700 -0.114 0.000 2.577 299 S HA 0.093 4.564 4.470 0.001 0.000 0.219 299 S C -0.283 174.219 174.600 -0.162 0.000 0.962 299 S CA -0.287 57.845 58.200 -0.113 0.000 0.921 299 S CB 0.143 63.287 63.200 -0.093 0.000 0.789 299 S HN 0.270 nan 8.310 nan 0.000 0.497 300 E N 2.583 122.630 120.200 -0.253 0.000 2.413 300 E HA 0.065 4.416 4.350 0.001 0.000 0.263 300 E C 0.095 176.575 176.600 -0.201 0.000 1.015 300 E CA 0.349 56.530 56.400 -0.364 0.000 0.916 300 E CB 0.434 29.663 29.700 -0.786 0.000 0.947 300 E HN 0.071 nan 8.360 nan 0.000 0.440 301 T N 1.558 116.024 114.554 -0.147 0.000 2.930 301 T HA 0.465 4.815 4.350 0.001 0.000 0.306 301 T C 0.415 175.101 174.700 -0.025 0.000 1.045 301 T CA 0.602 62.662 62.100 -0.067 0.000 1.134 301 T CB 0.720 69.563 68.868 -0.042 0.000 0.961 301 T HN 0.669 nan 8.240 nan 0.000 0.545 302 G N 1.057 109.849 108.800 -0.014 0.000 2.357 302 G HA2 0.407 4.368 3.960 0.001 0.000 0.289 302 G HA3 0.407 4.368 3.960 0.001 0.000 0.289 302 G C -0.461 174.438 174.900 -0.002 0.000 1.302 302 G CA -0.532 44.572 45.100 0.006 0.000 0.936 302 G HN 0.876 nan 8.290 nan 0.000 0.513 303 G N -0.863 107.939 108.800 0.003 0.000 2.338 303 G HA2 0.674 4.635 3.960 0.001 0.000 0.298 303 G HA3 0.674 4.635 3.960 0.001 0.000 0.298 303 G C -0.464 174.435 174.900 -0.003 0.000 1.140 303 G CA -0.242 44.858 45.100 -0.000 0.000 0.860 303 G HN 1.246 nan 8.290 nan 0.000 0.470 304 L N 3.080 124.300 121.223 -0.004 0.000 2.292 304 L HA 0.679 5.020 4.340 0.001 0.000 0.284 304 L C 0.560 177.424 176.870 -0.009 0.000 1.065 304 L CA -0.151 54.686 54.840 -0.006 0.000 0.806 304 L CB 1.384 43.440 42.059 -0.005 0.000 1.175 304 L HN 0.607 nan 8.230 nan 0.000 0.431 305 S N 2.932 118.621 115.700 -0.018 0.000 2.709 305 S HA 1.031 5.502 4.470 0.001 0.000 0.302 305 S C 0.074 174.674 174.600 0.000 0.000 1.127 305 S CA -0.174 58.013 58.200 -0.023 0.000 0.905 305 S CB 1.341 64.493 63.200 -0.080 0.000 1.151 305 S HN 1.727 nan 8.310 nan 0.000 0.510 306 G N 1.346 110.154 108.800 0.012 0.000 2.508 306 G HA2 -0.182 3.779 3.960 0.001 0.000 0.220 306 G HA3 -0.182 3.779 3.960 0.001 0.000 0.220 306 G C 0.393 175.304 174.900 0.018 0.000 1.287 306 G CA 0.146 45.266 45.100 0.033 0.000 0.916 306 G HN 0.749 nan 8.290 nan 0.000 0.574 307 K N 1.008 121.407 120.400 -0.001 0.000 2.063 307 K HA -0.092 4.228 4.320 0.001 0.000 0.208 307 K C -0.058 176.539 176.600 -0.005 0.000 1.048 307 K CA 2.272 58.556 56.287 -0.005 0.000 0.928 307 K CB -1.039 31.443 32.500 -0.030 0.000 0.713 307 K HN 0.278 nan 8.250 nan 0.000 0.442 308 P HA -0.125 nan 4.420 nan 0.000 0.225 308 P C 1.085 178.384 177.300 -0.001 0.000 1.148 308 P CA 0.731 63.827 63.100 -0.008 0.000 0.779 308 P CB 0.088 31.782 31.700 -0.010 0.000 0.780 309 L N -1.021 120.204 121.223 0.004 0.000 2.446 309 L HA 0.173 4.514 4.340 0.001 0.000 0.219 309 L C 2.352 179.229 176.870 0.012 0.000 1.116 309 L CA 1.032 55.877 54.840 0.009 0.000 0.844 309 L CB -0.690 41.376 42.059 0.012 0.000 0.970 309 L HN -0.267 nan 8.230 nan 0.000 0.457 310 R N -0.138 120.369 120.500 0.012 0.000 2.097 310 R HA -0.214 4.127 4.340 0.001 0.000 0.236 310 R C 1.504 177.811 176.300 0.011 0.000 1.135 310 R CA 2.438 58.547 56.100 0.015 0.000 0.934 310 R CB -0.289 30.019 30.300 0.014 0.000 0.846 310 R HN 0.349 nan 8.270 nan 0.000 0.431 311 D N 0.152 120.555 120.400 0.006 0.000 2.234 311 D HA -0.094 4.546 4.640 0.001 0.000 0.205 311 D C 1.674 177.978 176.300 0.006 0.000 0.962 311 D CA 0.371 54.373 54.000 0.003 0.000 0.855 311 D CB -0.095 40.704 40.800 -0.001 0.000 0.951 311 D HN 0.147 nan 8.370 nan 0.000 0.500 312 L N 0.520 121.747 121.223 0.007 0.000 2.012 312 L HA -0.147 4.194 4.340 0.001 0.000 0.210 312 L C 2.181 179.059 176.870 0.015 0.000 1.073 312 L CA 1.658 56.503 54.840 0.010 0.000 0.748 312 L CB -1.013 41.052 42.059 0.009 0.000 0.891 312 L HN -0.033 nan 8.230 nan 0.000 0.431 313 S N -1.756 113.954 115.700 0.017 0.000 2.356 313 S HA -0.205 4.265 4.470 0.001 0.000 0.223 313 S C 1.935 176.548 174.600 0.021 0.000 1.032 313 S CA 1.913 60.126 58.200 0.022 0.000 1.005 313 S CB -0.547 62.668 63.200 0.025 0.000 0.867 313 S HN 0.650 nan 8.310 nan 0.000 0.449 314 T N 2.186 116.749 114.554 0.015 0.000 2.746 314 T HA -0.076 4.275 4.350 0.001 0.000 0.267 314 T C 1.994 176.703 174.700 0.015 0.000 1.039 314 T CA 1.364 63.469 62.100 0.010 0.000 1.142 314 T CB -0.360 68.508 68.868 -0.000 0.000 0.866 314 T HN 0.376 nan 8.240 nan 0.000 0.444 315 Q N 0.663 120.472 119.800 0.014 0.000 2.167 315 Q HA -0.040 4.300 4.340 0.001 0.000 0.202 315 Q C 2.567 178.588 176.000 0.036 0.000 0.970 315 Q CA 1.304 57.118 55.803 0.019 0.000 0.855 315 Q CB -0.901 27.845 28.738 0.013 0.000 0.911 315 Q HN 0.518 nan 8.270 nan 0.000 0.438 316 T N 1.318 115.892 114.554 0.034 0.000 2.821 316 T HA -0.012 4.338 4.350 0.001 0.000 0.267 316 T C 2.024 176.757 174.700 0.055 0.000 1.046 316 T CA 0.640 62.764 62.100 0.040 0.000 1.139 316 T CB -0.095 68.793 68.868 0.033 0.000 0.871 316 T HN 0.184 nan 8.240 nan 0.000 0.454 317 I N 0.669 121.271 120.570 0.052 0.000 2.179 317 I HA -0.171 4.000 4.170 0.001 0.000 0.242 317 I C 2.873 179.060 176.117 0.117 0.000 1.088 317 I CA 1.248 62.587 61.300 0.065 0.000 1.357 317 I CB -0.325 37.695 38.000 0.034 0.000 1.051 317 I HN 0.108 nan 8.210 nan 0.000 0.409 318 R N 0.749 121.320 120.500 0.118 0.000 2.083 318 R HA -0.257 4.083 4.340 0.001 0.000 0.237 318 R C 2.277 178.733 176.300 0.261 0.000 1.137 318 R CA 2.113 58.341 56.100 0.213 0.000 0.951 318 R CB -0.174 30.178 30.300 0.087 0.000 0.851 318 R HN 0.376 nan 8.270 nan 0.000 0.434 319 E N -0.448 119.841 120.200 0.148 0.000 2.047 319 E HA -0.187 4.163 4.350 0.001 0.000 0.191 319 E C 1.891 178.555 176.600 0.107 0.000 0.987 319 E CA 1.243 57.714 56.400 0.119 0.000 0.799 319 E CB 0.109 29.852 29.700 0.071 0.000 0.752 319 E HN 0.190 nan 8.360 nan 0.000 0.449 320 M N -0.234 119.423 119.600 0.094 0.000 2.175 320 M HA -0.133 4.348 4.480 0.001 0.000 0.264 320 M C 2.133 178.470 176.300 0.062 0.000 1.063 320 M CA 1.272 56.609 55.300 0.063 0.000 1.119 320 M CB -1.145 31.486 32.600 0.052 0.000 1.377 320 M HN 0.255 nan 8.290 nan 0.000 0.415 321 Y N 1.207 121.481 120.300 -0.042 0.000 2.181 321 Y HA -0.173 4.378 4.550 0.001 0.000 0.288 321 Y C 2.390 178.195 175.900 -0.158 0.000 1.146 321 Y CA 2.098 60.118 58.100 -0.132 0.000 1.164 321 Y CB -0.240 38.086 38.460 -0.223 0.000 0.982 321 Y HN 0.202 nan 8.280 nan 0.000 0.515 322 A N 0.011 122.861 122.820 0.049 0.000 1.898 322 A HA -0.115 4.205 4.320 0.001 0.000 0.216 322 A C 2.207 179.764 177.584 -0.045 0.000 1.181 322 A CA 1.597 53.642 52.037 0.014 0.000 0.620 322 A CB -1.084 18.020 19.000 0.174 0.000 0.819 322 A HN 0.528 nan 8.150 nan 0.000 0.442 323 L N 0.110 121.323 121.223 -0.017 0.000 2.265 323 L HA -0.108 4.232 4.340 0.001 0.000 0.215 323 L C 2.243 179.072 176.870 -0.068 0.000 1.117 323 L CA 1.585 56.409 54.840 -0.028 0.000 0.782 323 L CB -0.418 41.638 42.059 -0.006 0.000 0.914 323 L HN 0.640 nan 8.230 nan 0.000 0.441 324 T N -5.441 109.042 114.554 -0.118 0.000 3.092 324 T HA 0.158 4.509 4.350 0.001 0.000 0.258 324 T C 0.643 175.209 174.700 -0.224 0.000 1.031 324 T CA -0.331 61.680 62.100 -0.148 0.000 0.925 324 T CB 0.459 69.242 68.868 -0.140 0.000 1.036 324 T HN 0.130 nan 8.240 nan 0.000 0.544 325 Q N 0.374 120.019 119.800 -0.259 0.000 2.494 325 Q HA -0.134 4.207 4.340 0.001 0.000 0.266 325 Q C 1.267 176.990 176.000 -0.463 0.000 1.053 325 Q CA 1.141 56.775 55.803 -0.282 0.000 1.029 325 Q CB -2.324 26.314 28.738 -0.166 0.000 1.423 325 Q HN 1.140 nan 8.270 nan 0.000 0.516 326 G N -0.953 107.324 108.800 -0.872 0.000 2.166 326 G HA2 -0.423 3.537 3.960 0.001 0.000 0.260 326 G HA3 -0.423 3.537 3.960 0.001 0.000 0.260 326 G C 0.736 175.346 174.900 -0.484 0.000 0.986 326 G CA 0.736 45.091 45.100 -1.242 0.000 0.683 326 G HN 0.472 nan 8.290 nan 0.000 0.527 327 R N -1.065 119.242 120.500 -0.322 0.000 2.290 327 R HA 0.290 4.631 4.340 0.001 0.000 0.197 327 R C 0.391 176.617 176.300 -0.124 0.000 0.913 327 R CA 0.474 56.471 56.100 -0.171 0.000 1.040 327 R CB 0.799 31.020 30.300 -0.132 0.000 0.992 327 R HN 0.326 nan 8.270 nan 0.000 0.500 328 V N 3.318 123.149 119.914 -0.138 0.000 2.357 328 V HA 0.258 4.379 4.120 0.001 0.000 0.284 328 V C -2.287 173.772 176.094 -0.058 0.000 1.018 328 V CA -2.387 59.862 62.300 -0.084 0.000 0.841 328 V CB 1.543 33.320 31.823 -0.075 0.000 0.991 328 V HN -0.047 nan 8.190 nan 0.000 0.437 329 P HA 0.213 nan 4.420 nan 0.000 0.264 329 P C -0.605 176.661 177.300 -0.056 0.000 1.183 329 P CA 0.393 63.460 63.100 -0.056 0.000 0.763 329 P CB 0.452 32.097 31.700 -0.090 0.000 0.807 330 I N 3.807 124.354 120.570 -0.038 0.000 2.465 330 I HA 0.358 4.529 4.170 0.001 0.000 0.291 330 I C 0.119 176.193 176.117 -0.072 0.000 1.014 330 I CA -0.784 60.496 61.300 -0.033 0.000 1.093 330 I CB 1.577 39.595 38.000 0.029 0.000 1.267 330 I HN 0.116 nan 8.210 nan 0.000 0.431 331 I N 5.167 125.695 120.570 -0.070 0.000 2.304 331 I HA 0.339 4.510 4.170 0.001 0.000 0.291 331 I C 0.692 176.817 176.117 0.014 0.000 1.018 331 I CA -0.294 60.982 61.300 -0.040 0.000 1.260 331 I CB 1.315 39.299 38.000 -0.026 0.000 1.390 331 I HN 0.612 nan 8.210 nan 0.000 0.475 332 G N 5.991 114.804 108.800 0.022 0.000 2.332 332 G HA2 0.591 4.551 3.960 0.001 0.000 0.310 332 G HA3 0.591 4.551 3.960 0.001 0.000 0.310 332 G C -0.729 174.201 174.900 0.049 0.000 1.123 332 G CA -0.226 44.891 45.100 0.028 0.000 0.873 332 G HN 0.386 nan 8.290 nan 0.000 0.460 333 V N 0.694 120.638 119.914 0.050 0.000 2.808 333 V HA 0.941 5.062 4.120 0.001 0.000 0.308 333 V C 0.253 176.378 176.094 0.052 0.000 1.099 333 V CA -0.096 62.239 62.300 0.060 0.000 0.920 333 V CB 1.600 33.467 31.823 0.073 0.000 1.014 333 V HN 1.679 nan 8.190 nan 0.000 0.425 334 G N 1.773 110.605 108.800 0.054 0.000 2.588 334 G HA2 0.537 4.497 3.960 0.001 0.000 0.239 334 G HA3 0.537 4.497 3.960 0.001 0.000 0.239 334 G C 0.465 175.391 174.900 0.042 0.000 1.275 334 G CA -0.050 45.076 45.100 0.044 0.000 1.181 334 G HN 2.133 nan 8.290 nan 0.000 0.595 335 G N -0.559 108.270 108.800 0.048 0.000 2.179 335 G HA2 0.001 3.961 3.960 0.001 0.000 0.257 335 G HA3 0.001 3.961 3.960 0.001 0.000 0.257 335 G C 0.543 175.479 174.900 0.060 0.000 1.010 335 G CA 0.559 45.689 45.100 0.050 0.000 0.736 335 G HN 1.771 nan 8.290 nan 0.000 0.513 336 V N 1.249 121.204 119.914 0.069 0.000 2.455 336 V HA 0.533 4.654 4.120 0.001 0.000 0.273 336 V C 1.180 177.336 176.094 0.102 0.000 1.045 336 V CA 0.941 63.282 62.300 0.069 0.000 0.976 336 V CB 1.397 33.257 31.823 0.061 0.000 0.993 336 V HN 1.013 nan 8.190 nan 0.000 0.475 337 S N 1.605 117.366 115.700 0.101 0.000 2.960 337 S HA 0.304 4.775 4.470 0.001 0.000 0.256 337 S C 0.184 174.816 174.600 0.053 0.000 1.017 337 S CA 0.176 58.465 58.200 0.148 0.000 1.144 337 S CB 0.414 63.790 63.200 0.294 0.000 1.109 337 S HN 0.903 nan 8.310 nan 0.000 0.638 338 S N -0.840 114.868 115.700 0.014 0.000 2.625 338 S HA 0.746 5.216 4.470 0.001 0.000 0.271 338 S C 1.071 175.654 174.600 -0.029 0.000 1.161 338 S CA -0.225 57.957 58.200 -0.030 0.000 0.820 338 S CB 0.671 63.846 63.200 -0.043 0.000 1.137 338 S HN 0.335 nan 8.310 nan 0.000 0.470 339 G N 0.234 109.008 108.800 -0.043 0.000 2.422 339 G HA2 -0.196 3.765 3.960 0.001 0.000 0.218 339 G HA3 -0.196 3.765 3.960 0.001 0.000 0.218 339 G C 1.144 176.032 174.900 -0.020 0.000 1.146 339 G CA 1.150 46.229 45.100 -0.036 0.000 0.769 339 G HN 0.839 nan 8.290 nan 0.000 0.547 340 Q N 0.199 119.989 119.800 -0.017 0.000 2.050 340 Q HA -0.146 4.195 4.340 0.001 0.000 0.202 340 Q C 1.971 177.966 176.000 -0.008 0.000 0.980 340 Q CA 1.693 57.490 55.803 -0.009 0.000 0.840 340 Q CB -0.145 28.587 28.738 -0.011 0.000 0.898 340 Q HN 0.349 nan 8.270 nan 0.000 0.424 341 D N 0.382 120.779 120.400 -0.006 0.000 2.104 341 D HA -0.179 4.462 4.640 0.001 0.000 0.194 341 D C 1.731 178.030 176.300 -0.001 0.000 0.994 341 D CA 1.534 55.535 54.000 0.001 0.000 0.830 341 D CB -0.329 40.480 40.800 0.015 0.000 0.959 341 D HN 0.433 nan 8.370 nan 0.000 0.452 342 A N 0.679 123.496 122.820 -0.004 0.000 1.873 342 A HA -0.119 4.201 4.320 0.001 0.000 0.215 342 A C 2.170 179.738 177.584 -0.026 0.000 1.186 342 A CA 0.985 53.017 52.037 -0.007 0.000 0.616 342 A CB -0.766 18.230 19.000 -0.006 0.000 0.823 342 A HN 0.231 nan 8.150 nan 0.000 0.442 343 L N 0.211 121.416 121.223 -0.030 0.000 2.083 343 L HA -0.139 4.202 4.340 0.001 0.000 0.209 343 L C 2.137 178.976 176.870 -0.052 0.000 1.083 343 L CA 2.243 57.053 54.840 -0.049 0.000 0.752 343 L CB -0.639 41.406 42.059 -0.024 0.000 0.899 343 L HN 0.522 nan 8.230 nan 0.000 0.433 344 E N -0.649 119.533 120.200 -0.030 0.000 2.110 344 E HA -0.248 4.102 4.350 0.001 0.000 0.193 344 E C 2.118 178.692 176.600 -0.043 0.000 0.988 344 E CA 1.329 57.710 56.400 -0.031 0.000 0.804 344 E CB -0.042 29.647 29.700 -0.018 0.000 0.745 344 E HN 0.513 nan 8.360 nan 0.000 0.458 345 K N 0.322 120.699 120.400 -0.038 0.000 2.103 345 K HA -0.062 4.259 4.320 0.001 0.000 0.204 345 K C 2.127 178.682 176.600 -0.075 0.000 1.052 345 K CA 0.748 57.011 56.287 -0.040 0.000 0.945 345 K CB 0.008 32.497 32.500 -0.018 0.000 0.722 345 K HN 0.101 nan 8.250 nan 0.000 0.443 346 I N 0.867 121.382 120.570 -0.091 0.000 2.179 346 I HA -0.282 3.889 4.170 0.001 0.000 0.242 346 I C 2.286 178.294 176.117 -0.181 0.000 1.088 346 I CA 1.305 62.523 61.300 -0.137 0.000 1.357 346 I CB -0.203 37.708 38.000 -0.148 0.000 1.051 346 I HN 0.108 nan 8.210 nan 0.000 0.409 347 R N 0.715 121.119 120.500 -0.160 0.000 2.152 347 R HA -0.120 4.221 4.340 0.001 0.000 0.232 347 R C 2.258 178.486 176.300 -0.121 0.000 1.117 347 R CA 1.347 57.363 56.100 -0.140 0.000 0.981 347 R CB -0.402 29.852 30.300 -0.077 0.000 0.870 347 R HN 0.376 nan 8.270 nan 0.000 0.451 348 A N -0.284 122.469 122.820 -0.111 0.000 2.119 348 A HA 0.121 4.442 4.320 0.001 0.000 0.216 348 A C 1.512 179.010 177.584 -0.143 0.000 1.152 348 A CA 1.310 53.310 52.037 -0.062 0.000 0.708 348 A CB 0.144 19.124 19.000 -0.035 0.000 0.805 348 A HN 0.480 nan 8.150 nan 0.000 0.460 349 G N -2.940 105.635 108.800 -0.373 0.000 2.559 349 G HA2 0.285 4.246 3.960 0.001 0.000 0.202 349 G HA3 0.285 4.246 3.960 0.001 0.000 0.202 349 G C 0.247 174.988 174.900 -0.264 0.000 0.992 349 G CA -0.004 44.630 45.100 -0.777 0.000 0.764 349 G HN 1.250 nan 8.290 nan 0.000 0.525 350 A N 0.743 123.471 122.820 -0.155 0.000 2.409 350 A HA 0.729 5.049 4.320 0.001 0.000 0.262 350 A C 1.381 178.903 177.584 -0.104 0.000 1.113 350 A CA 0.999 52.985 52.037 -0.086 0.000 0.790 350 A CB 0.711 19.676 19.000 -0.059 0.000 1.046 350 A HN 0.680 nan 8.150 nan 0.000 0.496 351 S N 1.359 116.997 115.700 -0.103 0.000 2.446 351 S HA 0.206 4.677 4.470 0.001 0.000 0.225 351 S C 0.445 174.935 174.600 -0.184 0.000 1.016 351 S CA 0.639 58.756 58.200 -0.139 0.000 0.943 351 S CB -0.333 62.773 63.200 -0.157 0.000 0.786 351 S HN 0.605 nan 8.310 nan 0.000 0.508 352 L N 0.678 121.796 121.223 -0.175 0.000 2.415 352 L HA 0.691 5.032 4.340 0.001 0.000 0.256 352 L C -0.880 176.008 176.870 0.029 0.000 1.010 352 L CA -1.095 53.670 54.840 -0.125 0.000 0.826 352 L CB 2.140 43.973 42.059 -0.376 0.000 1.405 352 L HN -0.047 nan 8.230 nan 0.000 0.410 353 V N -1.208 118.794 119.914 0.146 0.000 3.074 353 V HA 0.703 4.824 4.120 0.001 0.000 0.314 353 V C -1.032 175.164 176.094 0.170 0.000 1.117 353 V CA -0.549 61.831 62.300 0.132 0.000 1.014 353 V CB 2.010 33.876 31.823 0.071 0.000 1.057 353 V HN 0.873 nan 8.190 nan 0.000 0.438 354 Q N 1.538 121.395 119.800 0.094 0.000 2.433 354 Q HA 0.844 5.185 4.340 0.001 0.000 0.279 354 Q C -1.408 174.617 176.000 0.042 0.000 1.105 354 Q CA -0.861 54.946 55.803 0.007 0.000 0.815 354 Q CB 2.706 31.431 28.738 -0.021 0.000 1.403 354 Q HN 0.886 nan 8.270 nan 0.000 0.435 355 L N -2.448 118.798 121.223 0.038 0.000 2.359 355 L HA 0.611 4.951 4.340 0.001 0.000 0.256 355 L C -0.822 176.108 176.870 0.099 0.000 1.026 355 L CA -0.447 54.450 54.840 0.096 0.000 0.828 355 L CB 1.313 43.454 42.059 0.137 0.000 1.406 355 L HN 0.865 nan 8.230 nan 0.000 0.413 356 Y N -0.723 119.557 120.300 -0.033 0.000 3.299 356 Y HA -0.002 4.549 4.550 0.001 0.000 0.195 356 Y C 1.689 177.550 175.900 -0.066 0.000 0.972 356 Y CA 0.514 58.562 58.100 -0.087 0.000 1.633 356 Y CB 0.753 39.176 38.460 -0.062 0.000 1.465 356 Y HN 0.662 nan 8.280 nan 0.000 0.367 357 T N 1.821 116.441 114.554 0.110 0.000 2.759 357 T HA -0.217 4.134 4.350 0.001 0.000 0.269 357 T C 1.789 176.547 174.700 0.097 0.000 1.042 357 T CA 1.544 63.642 62.100 -0.003 0.000 1.140 357 T CB -0.612 68.262 68.868 0.009 0.000 0.864 357 T HN 0.506 nan 8.240 nan 0.000 0.455 358 A N 1.202 124.109 122.820 0.145 0.000 1.978 358 A HA -0.062 4.258 4.320 0.001 0.000 0.220 358 A C 2.215 179.851 177.584 0.087 0.000 1.170 358 A CA 1.332 53.468 52.037 0.164 0.000 0.636 358 A CB -0.781 18.383 19.000 0.273 0.000 0.810 358 A HN 0.432 nan 8.150 nan 0.000 0.448 359 L N 0.510 121.782 121.223 0.083 0.000 2.131 359 L HA -0.126 4.215 4.340 0.001 0.000 0.210 359 L C 2.687 179.523 176.870 -0.057 0.000 1.092 359 L CA 2.783 57.637 54.840 0.023 0.000 0.759 359 L CB -0.830 41.196 42.059 -0.055 0.000 0.903 359 L HN 0.580 nan 8.230 nan 0.000 0.435 360 T N -4.201 110.273 114.554 -0.134 0.000 2.995 360 T HA -0.102 4.249 4.350 0.001 0.000 0.269 360 T C 1.633 176.030 174.700 -0.505 0.000 1.091 360 T CA 1.201 63.126 62.100 -0.293 0.000 1.128 360 T CB -0.670 67.950 68.868 -0.413 0.000 0.891 360 T HN 0.309 nan 8.240 nan 0.000 0.492 361 F N -0.674 119.001 119.950 -0.457 0.000 2.317 361 F HA 0.365 4.893 4.527 0.000 0.000 0.290 361 F C 1.728 177.168 175.800 -0.601 0.000 1.075 361 F CA -0.076 57.435 58.000 -0.816 0.000 1.380 361 F CB 0.087 38.130 39.000 -1.595 0.000 1.093 361 F HN 0.168 nan 8.300 nan 0.000 0.524 362 W N -0.038 121.376 121.300 0.190 0.000 3.058 362 W HA 0.478 5.139 4.660 0.001 0.000 0.306 362 W C 1.120 177.705 176.519 0.110 0.000 1.188 362 W CA 0.227 57.648 57.345 0.126 0.000 1.651 362 W CB -0.033 29.477 29.460 0.084 0.000 1.051 362 W HN 0.104 nan 8.180 nan 0.000 0.592 363 G N 1.199 110.131 108.800 0.221 0.000 2.782 363 G HA2 -0.274 3.687 3.960 0.001 0.000 0.228 363 G HA3 -0.274 3.687 3.960 0.001 0.000 0.228 363 G C -1.762 173.150 174.900 0.021 0.000 1.372 363 G CA -0.491 44.706 45.100 0.161 0.000 0.862 363 G HN -0.103 nan 8.290 nan 0.000 0.547 364 P HA -0.044 nan 4.420 nan 0.000 0.217 364 P C -1.169 175.994 177.300 -0.227 0.000 1.148 364 P CA 2.349 65.350 63.100 -0.165 0.000 0.834 364 P CB -0.468 31.138 31.700 -0.155 0.000 0.783 365 P HA -0.096 nan 4.420 nan 0.000 0.225 365 P C 1.607 178.833 177.300 -0.124 0.000 1.148 365 P CA 0.731 63.703 63.100 -0.213 0.000 0.779 365 P CB -0.383 31.188 31.700 -0.216 0.000 0.780 366 V N -0.657 119.220 119.914 -0.062 0.000 2.759 366 V HA -0.163 3.958 4.120 0.001 0.000 0.256 366 V C 2.005 178.029 176.094 -0.116 0.000 1.080 366 V CA 1.518 63.809 62.300 -0.015 0.000 1.101 366 V CB -0.644 31.273 31.823 0.156 0.000 0.698 366 V HN -0.064 nan 8.190 nan 0.000 0.477 367 V N 0.688 120.466 119.914 -0.225 0.000 2.307 367 V HA -0.083 4.037 4.120 0.001 0.000 0.245 367 V C 2.732 178.627 176.094 -0.332 0.000 1.045 367 V CA 2.075 64.157 62.300 -0.363 0.000 1.024 367 V CB -1.462 29.951 31.823 -0.683 0.000 0.651 367 V HN 0.594 nan 8.190 nan 0.000 0.449 368 G N -0.525 108.104 108.800 -0.286 0.000 2.422 368 G HA2 -0.281 3.679 3.960 0.001 0.000 0.218 368 G HA3 -0.281 3.679 3.960 0.001 0.000 0.218 368 G C 1.640 176.335 174.900 -0.343 0.000 1.146 368 G CA 1.009 45.919 45.100 -0.318 0.000 0.769 368 G HN 0.472 nan 8.290 nan 0.000 0.547 369 K N 0.128 120.400 120.400 -0.213 0.000 2.009 369 K HA -0.072 4.248 4.320 0.001 0.000 0.210 369 K C 2.568 179.053 176.600 -0.190 0.000 1.049 369 K CA 1.487 57.674 56.287 -0.167 0.000 0.929 369 K CB -0.328 32.097 32.500 -0.125 0.000 0.714 369 K HN 0.182 nan 8.250 nan 0.000 0.440 370 V N 1.857 121.661 119.914 -0.184 0.000 2.343 370 V HA -0.251 3.870 4.120 0.001 0.000 0.247 370 V C 2.249 178.218 176.094 -0.207 0.000 1.051 370 V CA 1.854 64.065 62.300 -0.150 0.000 1.036 370 V CB -0.390 31.373 31.823 -0.099 0.000 0.654 370 V HN 0.364 nan 8.190 nan 0.000 0.451 371 K N -0.282 119.902 120.400 -0.359 0.000 2.057 371 K HA -0.196 4.124 4.320 0.001 0.000 0.207 371 K C 2.410 178.716 176.600 -0.489 0.000 1.049 371 K CA 1.538 57.532 56.287 -0.487 0.000 0.931 371 K CB -0.256 31.726 32.500 -0.864 0.000 0.714 371 K HN 0.312 nan 8.250 nan 0.000 0.440 372 R N 1.635 121.796 120.500 -0.566 0.000 2.075 372 R HA -0.150 4.191 4.340 0.001 0.000 0.232 372 R C 1.751 178.028 176.300 -0.038 0.000 1.126 372 R CA 1.605 57.610 56.100 -0.158 0.000 0.963 372 R CB 0.058 30.333 30.300 -0.042 0.000 0.858 372 R HN 0.232 nan 8.270 nan 0.000 0.435 373 E N 0.327 120.479 120.200 -0.080 0.000 2.106 373 E HA -0.189 4.161 4.350 0.001 0.000 0.192 373 E C 1.910 178.499 176.600 -0.018 0.000 0.984 373 E CA 0.911 57.288 56.400 -0.038 0.000 0.806 373 E CB -0.074 29.593 29.700 -0.054 0.000 0.750 373 E HN 0.187 nan 8.360 nan 0.000 0.458 374 L N 1.662 122.863 121.223 -0.038 0.000 2.046 374 L HA -0.189 4.152 4.340 0.001 0.000 0.208 374 L C 2.209 179.097 176.870 0.029 0.000 1.077 374 L CA 1.917 56.750 54.840 -0.011 0.000 0.747 374 L CB -0.364 41.678 42.059 -0.028 0.000 0.896 374 L HN 0.067 nan 8.230 nan 0.000 0.432 375 E N -0.597 119.633 120.200 0.050 0.000 2.077 375 E HA -0.234 4.116 4.350 0.001 0.000 0.193 375 E C 2.071 178.724 176.600 0.087 0.000 0.989 375 E CA 1.153 57.612 56.400 0.098 0.000 0.800 375 E CB -0.163 29.640 29.700 0.172 0.000 0.746 375 E HN 0.614 nan 8.360 nan 0.000 0.452 376 A N 1.119 123.982 122.820 0.072 0.000 1.902 376 A HA -0.159 4.162 4.320 0.001 0.000 0.217 376 A C 2.219 179.838 177.584 0.058 0.000 1.181 376 A CA 1.204 53.277 52.037 0.059 0.000 0.623 376 A CB -0.676 18.350 19.000 0.043 0.000 0.818 376 A HN 0.316 nan 8.150 nan 0.000 0.443 377 L N -0.728 120.529 121.223 0.056 0.000 2.093 377 L HA -0.153 4.188 4.340 0.001 0.000 0.208 377 L C 2.553 179.499 176.870 0.125 0.000 1.085 377 L CA 0.797 55.679 54.840 0.070 0.000 0.755 377 L CB -0.482 41.611 42.059 0.056 0.000 0.904 377 L HN 0.381 nan 8.230 nan 0.000 0.435 378 L N -0.305 121.001 121.223 0.139 0.000 2.017 378 L HA -0.247 4.094 4.340 0.001 0.000 0.208 378 L C 2.674 179.665 176.870 0.201 0.000 1.073 378 L CA 1.529 56.509 54.840 0.234 0.000 0.745 378 L CB -0.469 41.687 42.059 0.161 0.000 0.894 378 L HN 0.213 nan 8.230 nan 0.000 0.432 379 K N -0.136 120.334 120.400 0.117 0.000 2.032 379 K HA -0.249 4.071 4.320 0.001 0.000 0.209 379 K C 2.040 178.663 176.600 0.038 0.000 1.048 379 K CA 1.611 57.941 56.287 0.071 0.000 0.927 379 K CB -0.204 32.328 32.500 0.055 0.000 0.712 379 K HN 0.274 nan 8.250 nan 0.000 0.441 380 E N 1.040 121.267 120.200 0.044 0.000 2.118 380 E HA -0.213 4.137 4.350 0.001 0.000 0.195 380 E C 1.380 177.973 176.600 -0.012 0.000 0.992 380 E CA 1.262 57.673 56.400 0.018 0.000 0.804 380 E CB 0.211 29.928 29.700 0.029 0.000 0.741 380 E HN 0.310 nan 8.360 nan 0.000 0.458 381 Q N -1.508 118.288 119.800 -0.007 0.000 2.220 381 Q HA 0.165 4.506 4.340 0.001 0.000 0.205 381 Q C 0.553 176.326 176.000 -0.379 0.000 0.865 381 Q CA 0.341 56.071 55.803 -0.122 0.000 0.960 381 Q CB 1.369 30.114 28.738 0.012 0.000 1.097 381 Q HN 0.398 nan 8.270 nan 0.000 0.493 382 G N 0.894 109.555 108.800 -0.232 0.000 2.136 382 G HA2 -0.272 3.689 3.960 0.001 0.000 0.242 382 G HA3 -0.272 3.689 3.960 0.001 0.000 0.242 382 G C -0.214 174.512 174.900 -0.289 0.000 0.989 382 G CA -0.342 44.607 45.100 -0.251 0.000 0.682 382 G HN 0.309 nan 8.290 nan 0.000 0.522 383 F N 0.454 120.410 119.950 0.010 0.000 2.396 383 F HA 0.505 5.031 4.527 -0.001 0.000 0.343 383 F C 1.807 177.616 175.800 0.016 0.000 1.104 383 F CA 0.222 58.229 58.000 0.012 0.000 1.161 383 F CB 1.504 40.512 39.000 0.012 0.000 1.146 383 F HN -0.007 nan 8.300 nan 0.000 0.522 384 G N 1.810 110.731 108.800 0.202 0.000 2.448 384 G HA2 0.342 4.303 3.960 0.001 0.000 0.218 384 G HA3 0.342 4.303 3.960 0.001 0.000 0.218 384 G C 0.504 175.475 174.900 0.119 0.000 1.135 384 G CA 0.711 45.885 45.100 0.123 0.000 0.784 384 G HN 0.973 nan 8.290 nan 0.000 0.543 385 G N -2.096 106.786 108.800 0.135 0.000 2.550 385 G HA2 0.341 4.301 3.960 0.001 0.000 0.293 385 G HA3 0.341 4.301 3.960 0.001 0.000 0.293 385 G C 0.452 175.370 174.900 0.031 0.000 1.402 385 G CA 0.175 45.326 45.100 0.085 0.000 0.784 385 G HN 0.076 nan 8.290 nan 0.000 0.482 386 V N 0.317 120.229 119.914 -0.003 0.000 2.324 386 V HA -0.197 3.923 4.120 0.001 0.000 0.250 386 V C 3.134 179.165 176.094 -0.104 0.000 1.060 386 V CA 2.989 65.245 62.300 -0.072 0.000 1.042 386 V CB -0.900 30.902 31.823 -0.034 0.000 0.650 386 V HN 0.855 nan 8.190 nan 0.000 0.450 387 T N -0.514 114.015 114.554 -0.041 0.000 2.759 387 T HA -0.206 4.144 4.350 0.001 0.000 0.269 387 T C 1.569 176.246 174.700 -0.039 0.000 1.042 387 T CA 1.662 63.742 62.100 -0.034 0.000 1.140 387 T CB -0.401 68.469 68.868 0.004 0.000 0.864 387 T HN 0.554 nan 8.240 nan 0.000 0.455 388 D N 1.185 121.579 120.400 -0.010 0.000 2.264 388 D HA 0.039 4.679 4.640 0.001 0.000 0.208 388 D C 2.050 178.313 176.300 -0.062 0.000 0.966 388 D CA 0.824 54.860 54.000 0.061 0.000 0.864 388 D CB -0.075 40.859 40.800 0.222 0.000 0.933 388 D HN 0.466 nan 8.370 nan 0.000 0.499 389 A N 0.487 123.056 122.820 -0.419 0.000 2.147 389 A HA 0.117 4.437 4.320 0.001 0.000 0.211 389 A C 1.248 178.593 177.584 -0.398 0.000 1.160 389 A CA -0.281 51.226 52.037 -0.884 0.000 0.781 389 A CB -0.076 18.133 19.000 -1.320 0.000 0.842 389 A HN 0.092 nan 8.150 nan 0.000 0.475 390 I N 0.914 121.343 120.570 -0.235 0.000 2.752 390 I HA 0.170 4.341 4.170 0.001 0.000 0.286 390 I C 1.543 177.564 176.117 -0.161 0.000 1.180 390 I CA 1.273 62.467 61.300 -0.176 0.000 1.404 390 I CB -0.137 37.805 38.000 -0.097 0.000 1.389 390 I HN 0.463 nan 8.210 nan 0.000 0.549 391 G N 4.557 113.179 108.800 -0.296 0.000 2.162 391 G HA2 -0.345 3.616 3.960 0.001 0.000 0.260 391 G HA3 -0.345 3.616 3.960 0.001 0.000 0.260 391 G C 1.103 175.999 174.900 -0.007 0.000 0.976 391 G CA 0.420 45.300 45.100 -0.366 0.000 0.655 391 G HN 0.849 nan 8.290 nan 0.000 0.533 392 A N 0.105 122.919 122.820 -0.010 0.000 2.024 392 A HA 0.039 4.360 4.320 0.001 0.000 0.220 392 A C 1.975 179.618 177.584 0.099 0.000 1.164 392 A CA 2.280 54.375 52.037 0.096 0.000 0.643 392 A CB -0.318 18.789 19.000 0.178 0.000 0.806 392 A HN 0.410 nan 8.150 nan 0.000 0.451 393 D N -0.804 119.619 120.400 0.038 0.000 2.218 393 D HA -0.106 4.534 4.640 0.001 0.000 0.204 393 D C 1.499 177.753 176.300 -0.077 0.000 0.976 393 D CA 1.014 54.985 54.000 -0.049 0.000 0.853 393 D CB -0.418 40.283 40.800 -0.164 0.000 0.939 393 D HN 0.665 nan 8.370 nan 0.000 0.481 394 H N -0.271 118.807 119.070 0.014 0.000 2.548 394 H HA 0.178 4.734 4.556 0.000 0.000 0.268 394 H C 1.071 176.443 175.328 0.073 0.000 0.975 394 H CA 0.448 56.537 56.048 0.068 0.000 1.195 394 H CB 0.583 30.442 29.762 0.161 0.000 1.397 394 H HN 0.102 nan 8.280 nan 0.000 0.572 395 R N 0.860 121.460 120.500 0.166 0.000 2.468 395 R HA 0.175 4.516 4.340 0.001 0.000 0.280 395 R C 0.507 176.853 176.300 0.077 0.000 0.963 395 R CA -0.183 55.989 56.100 0.120 0.000 1.083 395 R CB 0.790 31.163 30.300 0.122 0.000 1.200 395 R HN 0.120 nan 8.270 nan 0.000 0.541 396 R N 0.000 120.534 120.500 0.057 0.000 2.786 396 R HA 0.000 4.341 4.340 0.001 0.000 0.208 396 R CA 0.000 56.120 56.100 0.033 0.000 0.921 396 R CB 0.000 30.309 30.300 0.016 0.000 0.687 396 R HN 0.000 nan 8.270 nan 0.000 0.535