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 3cr8_1_B DATA FIRST_RESID 4 DATA SEQUENCE QLIEPYGGTL VNLIDPEKRE ALKHEALSLP SLDLDWQQQC ELEMLMTGAY DATA SEQUENCE SPLTGFMTRA QCARVESAQQ LDDGSFWPSP ITLTSRDRAL ADRRPGERLA DATA SEQUENCE LRDGEGYMLA ILTLSDVWKD GERWHLAGEV EGAALPPHPD FVSLRATPAE DATA SEQUENCE LRALFVRRGW RRIIAWQARQ PMHRAQYEFC LKSAIENEAN LLLHPQVGGD DATA SEQUENCE ITEAPAYFGL VRSFLAIRDR FPAATTQLSL LPAPPPEASG RALLLRAIVA DATA SEQUENCE RNFGCSLLIA GXXXXXXXXX XXXXXXXXXX RVDPSVAERA EKIGVRLIAY DATA SEQUENCE PRMVYVEDRA EHLPEAEAPQ GARLLTLSGE EFQRRMRAGL KIPEWYSFPE DATA SEQUENCE VLAELHRQTP PRERQGFTVF FTGLSGAGKS TLARALAARL MEMGGRCVTL DATA SEQUENCE LDGDIVRRHL SSELGFSKAH RDVNVRRIGF VASEITKNRG IAICAPIAPY DATA SEQUENCE RQTRRDVRAM IEAVGGFVEI HVATXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXDPYEVPE TPELAIDTTG LAIDEAVQQI LLKLEHEGYL R 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 4 Q HA 0.000 nan 4.340 nan 0.000 0.214 4 Q C 0.000 176.015 176.000 0.026 0.000 1.003 4 Q CA 0.000 55.815 55.803 0.020 0.000 1.022 4 Q CB 0.000 28.755 28.738 0.028 0.000 1.108 5 L N 3.265 124.514 121.223 0.044 0.000 2.433 5 L HA 0.244 4.584 4.340 -0.000 0.000 0.284 5 L C 0.913 177.819 176.870 0.061 0.000 1.120 5 L CA -0.107 54.767 54.840 0.058 0.000 0.879 5 L CB -0.140 41.970 42.059 0.085 0.000 1.232 5 L HN 0.581 nan 8.230 nan 0.000 0.454 6 I N 3.660 124.263 120.570 0.055 0.000 3.185 6 I HA -0.184 3.986 4.170 -0.000 0.000 0.300 6 I C 0.428 176.595 176.117 0.083 0.000 1.245 6 I CA 0.598 61.938 61.300 0.065 0.000 1.413 6 I CB 0.617 38.656 38.000 0.066 0.000 1.324 6 I HN 0.647 nan 8.210 nan 0.000 0.588 7 E N 5.614 125.868 120.200 0.089 0.000 2.447 7 E HA 0.577 4.927 4.350 -0.000 0.000 0.251 7 E C -2.581 174.089 176.600 0.116 0.000 0.910 7 E CA -1.901 54.554 56.400 0.092 0.000 0.841 7 E CB -0.207 29.537 29.700 0.074 0.000 1.403 7 E HN 0.353 nan 8.360 nan 0.000 0.400 8 P HA -0.019 nan 4.420 nan 0.000 0.271 8 P C -1.147 176.276 177.300 0.205 0.000 1.216 8 P CA -0.040 63.141 63.100 0.135 0.000 0.776 8 P CB 0.137 31.889 31.700 0.087 0.000 0.881 9 Y N 2.509 122.870 120.300 0.101 0.000 2.652 9 Y HA 0.198 4.748 4.550 -0.000 0.000 0.344 9 Y C 1.900 177.874 175.900 0.124 0.000 1.254 9 Y CA 1.820 59.999 58.100 0.131 0.000 1.480 9 Y CB -0.362 38.211 38.460 0.189 0.000 1.345 9 Y HN 0.799 nan 8.280 nan 0.000 0.617 10 G N 1.871 110.457 108.800 -0.357 0.000 2.377 10 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.250 10 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.250 10 G C 1.125 175.974 174.900 -0.086 0.000 1.039 10 G CA 1.078 46.025 45.100 -0.256 0.000 0.625 10 G HN 2.115 nan 8.290 nan 0.000 0.526 11 G N -2.369 106.425 108.800 -0.010 0.000 2.380 11 G HA2 0.338 4.298 3.960 -0.000 0.000 0.197 11 G HA3 0.338 4.298 3.960 -0.000 0.000 0.197 11 G C 0.653 175.566 174.900 0.023 0.000 1.001 11 G CA 1.410 46.518 45.100 0.013 0.000 0.668 11 G HN 2.614 nan 8.290 nan 0.000 0.483 12 T N -0.353 114.212 114.554 0.018 0.000 2.956 12 T HA 0.600 4.950 4.350 -0.000 0.000 0.312 12 T C -0.695 174.017 174.700 0.020 0.000 1.151 12 T CA -0.537 61.573 62.100 0.017 0.000 1.024 12 T CB 1.644 70.514 68.868 0.003 0.000 1.140 12 T HN 0.666 nan 8.240 nan 0.000 0.473 13 L N 5.027 126.258 121.223 0.014 0.000 2.369 13 L HA 0.408 4.748 4.340 -0.000 0.000 0.279 13 L C 0.158 177.021 176.870 -0.011 0.000 1.108 13 L CA -0.500 54.342 54.840 0.003 0.000 0.852 13 L CB 0.803 42.854 42.059 -0.015 0.000 1.169 13 L HN 0.639 nan 8.230 nan 0.000 0.452 14 V N 5.018 124.927 119.914 -0.009 0.000 2.843 14 V HA 0.062 4.182 4.120 -0.000 0.000 0.305 14 V C 0.414 176.487 176.094 -0.035 0.000 1.065 14 V CA -0.063 62.225 62.300 -0.021 0.000 1.116 14 V CB 1.134 32.947 31.823 -0.015 0.000 0.968 14 V HN 0.764 nan 8.190 nan 0.000 0.487 15 N N 3.605 122.284 118.700 -0.034 0.000 2.571 15 N HA 0.224 4.964 4.740 -0.000 0.000 0.286 15 N C -0.549 174.942 175.510 -0.033 0.000 1.138 15 N CA -0.521 52.507 53.050 -0.036 0.000 0.859 15 N CB 1.497 39.964 38.487 -0.032 0.000 1.414 15 N HN 0.373 nan 8.380 nan 0.000 0.529 16 L N 3.542 124.743 121.223 -0.036 0.000 2.645 16 L HA 0.410 4.750 4.340 -0.000 0.000 0.234 16 L C 0.062 176.918 176.870 -0.023 0.000 1.165 16 L CA 0.406 55.225 54.840 -0.035 0.000 0.944 16 L CB -0.564 41.466 42.059 -0.048 0.000 1.149 16 L HN 0.571 nan 8.230 nan 0.000 0.446 17 I N -0.404 120.155 120.570 -0.019 0.000 2.495 17 I HA 0.195 4.365 4.170 -0.000 0.000 0.277 17 I C -0.621 175.489 176.117 -0.011 0.000 1.045 17 I CA -0.534 60.759 61.300 -0.011 0.000 1.135 17 I CB 1.568 39.565 38.000 -0.004 0.000 1.241 17 I HN -0.139 nan 8.210 nan 0.000 0.469 18 D N 8.325 128.718 120.400 -0.011 0.000 2.373 18 D HA 0.309 4.949 4.640 -0.000 0.000 0.227 18 D C -1.708 174.588 176.300 -0.007 0.000 1.091 18 D CA -2.107 51.887 54.000 -0.010 0.000 0.840 18 D CB 2.298 43.091 40.800 -0.012 0.000 1.060 18 D HN 0.131 nan 8.370 nan 0.000 0.502 19 P HA -0.181 nan 4.420 nan 0.000 0.214 19 P C 1.216 178.514 177.300 -0.003 0.000 1.169 19 P CA 2.454 65.553 63.100 -0.002 0.000 0.908 19 P CB 0.264 31.964 31.700 -0.000 0.000 0.791 20 E N -0.065 120.132 120.200 -0.005 0.000 2.118 20 E HA -0.244 4.106 4.350 -0.000 0.000 0.195 20 E C 2.127 178.723 176.600 -0.007 0.000 0.992 20 E CA 2.318 58.715 56.400 -0.006 0.000 0.804 20 E CB -1.868 27.827 29.700 -0.008 0.000 0.741 20 E HN 0.375 nan 8.360 nan 0.000 0.458 21 K N 1.109 121.504 120.400 -0.008 0.000 2.209 21 K HA -0.064 4.256 4.320 -0.000 0.000 0.204 21 K C 2.190 178.786 176.600 -0.006 0.000 1.048 21 K CA 1.474 57.756 56.287 -0.009 0.000 0.940 21 K CB -0.586 31.908 32.500 -0.010 0.000 0.729 21 K HN 0.367 nan 8.250 nan 0.000 0.451 22 R N 0.528 121.025 120.500 -0.006 0.000 2.094 22 R HA -0.189 4.151 4.340 -0.000 0.000 0.239 22 R C 2.164 178.462 176.300 -0.003 0.000 1.137 22 R CA 2.372 58.468 56.100 -0.007 0.000 0.943 22 R CB -0.415 29.883 30.300 -0.003 0.000 0.850 22 R HN 0.573 nan 8.270 nan 0.000 0.433 23 E N 0.026 120.228 120.200 0.003 0.000 2.031 23 E HA -0.089 4.261 4.350 -0.000 0.000 0.193 23 E C 1.837 178.453 176.600 0.027 0.000 0.994 23 E CA 1.829 58.237 56.400 0.014 0.000 0.800 23 E CB -0.410 29.298 29.700 0.013 0.000 0.752 23 E HN 0.433 nan 8.360 nan 0.000 0.447 24 A N 0.216 123.042 122.820 0.010 0.000 1.986 24 A HA -0.205 4.115 4.320 -0.000 0.000 0.220 24 A C 2.266 179.875 177.584 0.041 0.000 1.171 24 A CA 1.474 53.516 52.037 0.008 0.000 0.640 24 A CB -0.708 18.280 19.000 -0.020 0.000 0.811 24 A HN 0.313 nan 8.150 nan 0.000 0.451 25 L N -1.420 119.816 121.223 0.022 0.000 2.044 25 L HA -0.142 4.198 4.340 -0.000 0.000 0.205 25 L C 2.598 179.475 176.870 0.012 0.000 1.075 25 L CA 1.667 56.514 54.840 0.013 0.000 0.747 25 L CB -0.346 41.709 42.059 -0.006 0.000 0.903 25 L HN 0.295 nan 8.230 nan 0.000 0.435 26 K N -0.973 119.426 120.400 -0.001 0.000 2.103 26 K HA -0.266 4.054 4.320 -0.000 0.000 0.207 26 K C 2.060 178.661 176.600 0.001 0.000 1.048 26 K CA 1.628 57.897 56.287 -0.031 0.000 0.930 26 K CB -0.235 32.231 32.500 -0.056 0.000 0.716 26 K HN 0.302 nan 8.250 nan 0.000 0.444 27 H N 0.484 119.531 119.070 -0.038 0.000 2.319 27 H HA -0.146 4.410 4.556 -0.000 0.000 0.299 27 H C 2.128 177.439 175.328 -0.029 0.000 1.092 27 H CA 2.133 58.163 56.048 -0.030 0.000 1.302 27 H CB 0.198 29.947 29.762 -0.023 0.000 1.373 27 H HN 0.261 nan 8.280 nan 0.000 0.497 28 E N 0.026 120.338 120.200 0.186 0.000 2.110 28 E HA -0.172 4.178 4.350 -0.000 0.000 0.193 28 E C 2.255 178.874 176.600 0.032 0.000 0.988 28 E CA 0.752 57.222 56.400 0.116 0.000 0.804 28 E CB -0.235 29.504 29.700 0.064 0.000 0.745 28 E HN 0.600 nan 8.360 nan 0.000 0.458 29 A N 1.500 124.320 122.820 -0.000 0.000 2.024 29 A HA -0.159 4.161 4.320 -0.000 0.000 0.220 29 A C 2.185 179.739 177.584 -0.050 0.000 1.164 29 A CA 0.896 52.915 52.037 -0.030 0.000 0.643 29 A CB -0.672 18.298 19.000 -0.051 0.000 0.806 29 A HN 0.369 nan 8.150 nan 0.000 0.451 30 L N 0.082 121.259 121.223 -0.077 0.000 2.137 30 L HA -0.214 4.126 4.340 -0.000 0.000 0.213 30 L C 2.312 179.143 176.870 -0.065 0.000 1.085 30 L CA 1.860 56.638 54.840 -0.103 0.000 0.760 30 L CB -0.400 41.540 42.059 -0.199 0.000 0.893 30 L HN 0.665 nan 8.230 nan 0.000 0.434 31 S N -2.075 113.603 115.700 -0.037 0.000 2.602 31 S HA 0.353 4.823 4.470 -0.000 0.000 0.240 31 S C 0.148 174.738 174.600 -0.017 0.000 0.992 31 S CA -0.598 57.590 58.200 -0.020 0.000 0.971 31 S CB 0.092 63.294 63.200 0.002 0.000 0.855 31 S HN 0.157 nan 8.310 nan 0.000 0.481 32 L N 1.415 122.623 121.223 -0.023 0.000 2.303 32 L HA 0.648 4.988 4.340 -0.000 0.000 0.266 32 L C -2.447 174.404 176.870 -0.031 0.000 1.011 32 L CA -2.701 52.125 54.840 -0.023 0.000 0.818 32 L CB 1.553 43.600 42.059 -0.019 0.000 1.326 32 L HN 0.047 nan 8.230 nan 0.000 0.435 33 P HA 0.182 nan 4.420 nan 0.000 0.272 33 P C -1.258 176.015 177.300 -0.046 0.000 1.223 33 P CA -0.385 62.689 63.100 -0.044 0.000 0.784 33 P CB 0.908 32.578 31.700 -0.052 0.000 0.923 34 S N 0.966 116.635 115.700 -0.052 0.000 2.547 34 S HA 0.613 5.083 4.470 -0.000 0.000 0.281 34 S C -1.129 173.437 174.600 -0.057 0.000 1.118 34 S CA -0.827 57.344 58.200 -0.048 0.000 0.947 34 S CB 1.128 64.303 63.200 -0.041 0.000 1.053 34 S HN 0.298 nan 8.310 nan 0.000 0.482 35 L N 2.195 123.384 121.223 -0.055 0.000 2.307 35 L HA 0.622 4.962 4.340 -0.000 0.000 0.284 35 L C -1.278 175.568 176.870 -0.040 0.000 1.023 35 L CA -0.145 54.657 54.840 -0.063 0.000 0.810 35 L CB 1.236 43.246 42.059 -0.081 0.000 1.231 35 L HN 0.729 nan 8.230 nan 0.000 0.423 36 D N 4.803 125.183 120.400 -0.034 0.000 2.313 36 D HA 0.287 4.927 4.640 -0.000 0.000 0.239 36 D C -0.295 175.997 176.300 -0.014 0.000 1.142 36 D CA -0.188 53.805 54.000 -0.011 0.000 0.847 36 D CB 1.228 42.027 40.800 -0.001 0.000 1.082 36 D HN 0.236 nan 8.370 nan 0.000 0.480 37 L N 3.070 124.293 121.223 -0.001 0.000 2.417 37 L HA 0.144 4.484 4.340 -0.000 0.000 0.268 37 L C 0.729 177.603 176.870 0.007 0.000 1.158 37 L CA -0.394 54.438 54.840 -0.014 0.000 0.819 37 L CB 0.532 42.590 42.059 -0.002 0.000 1.112 37 L HN 0.366 nan 8.230 nan 0.000 0.458 38 D N 1.191 121.572 120.400 -0.032 0.000 2.377 38 D HA -0.046 4.594 4.640 -0.000 0.000 0.245 38 D C 1.256 177.559 176.300 0.005 0.000 1.196 38 D CA -0.397 53.589 54.000 -0.023 0.000 0.962 38 D CB 0.207 40.939 40.800 -0.113 0.000 1.127 38 D HN 0.665 nan 8.370 nan 0.000 0.471 39 W N 0.830 122.151 121.300 0.035 0.000 2.342 39 W HA -0.243 4.417 4.660 0.000 0.000 0.297 39 W C 1.192 177.740 176.519 0.048 0.000 1.213 39 W CA 1.230 58.604 57.345 0.049 0.000 1.251 39 W CB -0.819 28.683 29.460 0.070 0.000 1.136 39 W HN 0.461 nan 8.180 nan 0.000 0.526 40 Q N 0.381 119.780 119.800 -0.669 0.000 2.123 40 Q HA -0.182 4.158 4.340 -0.000 0.000 0.199 40 Q C 1.982 177.883 176.000 -0.166 0.000 0.966 40 Q CA 1.073 56.534 55.803 -0.571 0.000 0.845 40 Q CB -0.876 27.303 28.738 -0.931 0.000 0.907 40 Q HN 0.341 nan 8.270 nan 0.000 0.439 41 Q N 1.536 121.242 119.800 -0.157 0.000 2.084 41 Q HA -0.113 4.227 4.340 -0.000 0.000 0.202 41 Q C 2.066 178.096 176.000 0.051 0.000 0.978 41 Q CA 1.518 57.279 55.803 -0.070 0.000 0.844 41 Q CB -0.345 28.312 28.738 -0.134 0.000 0.898 41 Q HN 0.628 nan 8.270 nan 0.000 0.426 42 Q N -0.478 119.367 119.800 0.075 0.000 2.297 42 Q HA -0.119 4.221 4.340 -0.000 0.000 0.208 42 Q C 2.240 178.336 176.000 0.160 0.000 0.981 42 Q CA 1.197 57.076 55.803 0.127 0.000 0.876 42 Q CB -0.207 28.612 28.738 0.135 0.000 0.921 42 Q HN 0.350 nan 8.270 nan 0.000 0.446 43 C N 0.444 119.847 119.300 0.171 0.000 2.508 43 C HA -0.071 4.389 4.460 -0.000 0.000 0.280 43 C C 2.482 177.577 174.990 0.174 0.000 1.262 43 C CA 0.598 59.724 59.018 0.180 0.000 1.706 43 C CB -0.582 27.280 27.740 0.203 0.000 2.078 43 C HN 0.514 nan 8.230 nan 0.000 0.480 44 E N 0.969 121.290 120.200 0.202 0.000 2.086 44 E HA -0.225 4.125 4.350 -0.000 0.000 0.200 44 E C 1.879 178.694 176.600 0.358 0.000 1.012 44 E CA 1.180 57.775 56.400 0.324 0.000 0.812 44 E CB -0.608 29.280 29.700 0.314 0.000 0.743 44 E HN 0.465 nan 8.360 nan 0.000 0.453 45 L N 1.153 122.582 121.223 0.342 0.000 1.989 45 L HA -0.189 4.151 4.340 -0.000 0.000 0.211 45 L C 2.266 179.226 176.870 0.149 0.000 1.071 45 L CA 2.525 57.560 54.840 0.324 0.000 0.749 45 L CB -0.855 41.375 42.059 0.286 0.000 0.890 45 L HN 0.285 nan 8.230 nan 0.000 0.431 46 E N -1.112 119.165 120.200 0.127 0.000 2.085 46 E HA -0.258 4.092 4.350 -0.000 0.000 0.194 46 E C 2.137 178.745 176.600 0.012 0.000 0.994 46 E CA 1.598 58.045 56.400 0.079 0.000 0.801 46 E CB -0.070 29.699 29.700 0.116 0.000 0.743 46 E HN 0.475 nan 8.360 nan 0.000 0.453 47 M N 0.299 119.887 119.600 -0.020 0.000 2.080 47 M HA -0.166 4.314 4.480 -0.000 0.000 0.260 47 M C 2.566 178.700 176.300 -0.276 0.000 1.068 47 M CA 1.053 56.208 55.300 -0.242 0.000 1.109 47 M CB -0.824 31.500 32.600 -0.460 0.000 1.342 47 M HN 0.280 nan 8.290 nan 0.000 0.405 48 L N 0.161 121.351 121.223 -0.056 0.000 2.044 48 L HA -0.102 4.238 4.340 -0.000 0.000 0.205 48 L C 2.465 179.299 176.870 -0.060 0.000 1.075 48 L CA 1.477 56.328 54.840 0.018 0.000 0.747 48 L CB -0.492 41.530 42.059 -0.063 0.000 0.903 48 L HN 0.189 nan 8.230 nan 0.000 0.435 49 M N -1.405 118.163 119.600 -0.053 0.000 2.435 49 M HA -0.189 4.291 4.480 -0.000 0.000 0.262 49 M C 1.458 177.730 176.300 -0.046 0.000 1.065 49 M CA 1.703 56.977 55.300 -0.043 0.000 1.076 49 M CB -0.089 32.507 32.600 -0.006 0.000 1.403 49 M HN 0.316 nan 8.290 nan 0.000 0.454 50 T N -1.892 112.622 114.554 -0.067 0.000 2.985 50 T HA 0.324 4.674 4.350 -0.000 0.000 0.254 50 T C 0.808 175.431 174.700 -0.128 0.000 1.021 50 T CA 0.757 62.808 62.100 -0.082 0.000 0.957 50 T CB 0.455 69.283 68.868 -0.066 0.000 1.047 50 T HN 0.576 nan 8.240 nan 0.000 0.511 51 G N 0.714 109.440 108.800 -0.123 0.000 2.168 51 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.197 51 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.197 51 G C 1.033 175.851 174.900 -0.137 0.000 0.997 51 G CA 0.165 45.204 45.100 -0.102 0.000 0.658 51 G HN 0.597 nan 8.290 nan 0.000 0.513 52 A N -0.631 122.043 122.820 -0.244 0.000 2.125 52 A HA 0.330 4.650 4.320 -0.000 0.000 0.219 52 A C 1.481 179.065 177.584 -0.000 0.000 1.156 52 A CA 1.928 53.803 52.037 -0.271 0.000 0.671 52 A CB -0.309 18.462 19.000 -0.383 0.000 0.794 52 A HN 0.783 nan 8.150 nan 0.000 0.459 53 Y N -0.153 120.246 120.300 0.165 0.000 2.682 53 Y HA 0.277 4.827 4.550 -0.000 0.000 0.251 53 Y C 0.725 176.803 175.900 0.297 0.000 1.172 53 Y CA -1.450 56.865 58.100 0.358 0.000 1.186 53 Y CB -0.696 37.945 38.460 0.301 0.000 1.216 53 Y HN 0.045 nan 8.280 nan 0.000 0.540 54 S N 4.189 120.078 115.700 0.315 0.000 2.642 54 S HA -0.043 4.427 4.470 -0.000 0.000 0.308 54 S C -1.485 173.338 174.600 0.372 0.000 1.255 54 S CA -0.293 58.040 58.200 0.222 0.000 1.057 54 S CB 0.559 63.846 63.200 0.145 0.000 0.785 54 S HN 0.267 nan 8.310 nan 0.000 0.500 55 P HA 0.122 nan 4.420 nan 0.000 0.255 55 P C 0.042 177.301 177.300 -0.069 0.000 1.248 55 P CA 0.051 63.156 63.100 0.008 0.000 0.807 55 P CB 0.109 31.770 31.700 -0.065 0.000 1.150 56 L N -0.141 121.002 121.223 -0.133 0.000 2.506 56 L HA 0.036 4.376 4.340 -0.000 0.000 0.281 56 L C 1.394 178.187 176.870 -0.129 0.000 1.228 56 L CA 1.084 55.788 54.840 -0.225 0.000 0.850 56 L CB -0.241 41.603 42.059 -0.358 0.000 1.110 56 L HN -0.007 nan 8.230 nan 0.000 0.496 57 T N 0.282 114.742 114.554 -0.157 0.000 3.407 57 T HA 0.368 4.718 4.350 -0.000 0.000 0.308 57 T C -0.098 174.508 174.700 -0.157 0.000 0.919 57 T CA 0.317 62.340 62.100 -0.128 0.000 0.960 57 T CB 0.097 68.910 68.868 -0.091 0.000 1.193 57 T HN 0.926 nan 8.240 nan 0.000 0.568 58 G N 0.332 109.002 108.800 -0.216 0.000 2.523 58 G HA2 0.513 4.473 3.960 -0.000 0.000 0.291 58 G HA3 0.513 4.473 3.960 -0.000 0.000 0.291 58 G C -1.670 173.061 174.900 -0.281 0.000 1.450 58 G CA -0.783 44.176 45.100 -0.235 0.000 0.790 58 G HN 0.151 nan 8.290 nan 0.000 0.496 59 F N 1.179 121.134 119.950 0.008 0.000 2.443 59 F HA 0.434 4.961 4.527 -0.000 0.000 0.353 59 F C 1.559 177.375 175.800 0.027 0.000 1.101 59 F CA -0.333 57.679 58.000 0.020 0.000 1.226 59 F CB 1.050 40.079 39.000 0.048 0.000 1.140 59 F HN 0.139 nan 8.300 nan 0.000 0.557 60 M N 1.557 121.274 119.600 0.195 0.000 2.228 60 M HA 0.018 4.498 4.480 -0.000 0.000 0.303 60 M C 0.419 176.839 176.300 0.199 0.000 1.099 60 M CA 0.818 56.186 55.300 0.113 0.000 1.171 60 M CB 0.246 32.877 32.600 0.052 0.000 1.412 60 M HN 0.574 nan 8.290 nan 0.000 0.447 61 T N 0.521 115.132 114.554 0.096 0.000 2.855 61 T HA 0.257 4.607 4.350 -0.000 0.000 0.281 61 T C 1.011 175.635 174.700 -0.127 0.000 1.007 61 T CA -0.680 61.453 62.100 0.056 0.000 1.009 61 T CB 1.172 70.044 68.868 0.007 0.000 0.983 61 T HN 0.590 nan 8.240 nan 0.000 0.455 62 R N 2.297 122.500 120.500 -0.495 0.000 2.185 62 R HA -0.150 4.190 4.340 -0.000 0.000 0.247 62 R C 1.846 177.893 176.300 -0.422 0.000 1.159 62 R CA 1.835 57.417 56.100 -0.863 0.000 0.988 62 R CB -0.712 28.596 30.300 -1.652 0.000 0.871 62 R HN 0.706 nan 8.270 nan 0.000 0.458 63 A N 0.172 122.824 122.820 -0.280 0.000 1.943 63 A HA -0.076 4.244 4.320 -0.000 0.000 0.213 63 A C 2.049 179.562 177.584 -0.118 0.000 1.181 63 A CA 0.399 52.328 52.037 -0.180 0.000 0.653 63 A CB -0.100 18.815 19.000 -0.142 0.000 0.833 63 A HN 0.379 nan 8.150 nan 0.000 0.451 64 Q N -0.629 119.113 119.800 -0.098 0.000 2.050 64 Q HA -0.192 4.148 4.340 -0.000 0.000 0.202 64 Q C 2.193 178.163 176.000 -0.050 0.000 0.980 64 Q CA 1.608 57.371 55.803 -0.067 0.000 0.840 64 Q CB -0.683 28.019 28.738 -0.059 0.000 0.898 64 Q HN 0.639 nan 8.270 nan 0.000 0.424 65 C N 0.691 119.966 119.300 -0.042 0.000 2.398 65 C HA -0.185 4.275 4.460 -0.000 0.000 0.282 65 C C 2.729 177.709 174.990 -0.017 0.000 1.275 65 C CA 1.081 60.102 59.018 0.004 0.000 1.797 65 C CB -1.163 26.593 27.740 0.028 0.000 1.991 65 C HN 0.630 nan 8.230 nan 0.000 0.505 66 A N -0.836 121.948 122.820 -0.060 0.000 2.063 66 A HA 0.021 4.341 4.320 -0.000 0.000 0.211 66 A C 2.195 179.760 177.584 -0.030 0.000 1.177 66 A CA 0.510 52.515 52.037 -0.054 0.000 0.759 66 A CB -0.468 18.477 19.000 -0.091 0.000 0.857 66 A HN 0.583 nan 8.150 nan 0.000 0.468 67 R N -0.016 120.465 120.500 -0.031 0.000 2.280 67 R HA 0.009 4.349 4.340 -0.000 0.000 0.207 67 R C 1.270 177.570 176.300 0.001 0.000 1.043 67 R CA 1.039 57.129 56.100 -0.017 0.000 1.006 67 R CB -0.139 30.148 30.300 -0.022 0.000 0.885 67 R HN 0.327 nan 8.270 nan 0.000 0.467 68 V N 1.251 121.170 119.914 0.009 0.000 2.273 68 V HA -0.159 3.961 4.120 -0.000 0.000 0.242 68 V C 1.596 177.704 176.094 0.024 0.000 1.035 68 V CA 1.634 63.950 62.300 0.027 0.000 1.013 68 V CB -0.360 31.503 31.823 0.066 0.000 0.652 68 V HN 0.368 nan 8.190 nan 0.000 0.452 69 E N 0.699 120.913 120.200 0.023 0.000 2.501 69 E HA -0.104 4.246 4.350 -0.000 0.000 0.203 69 E C 1.492 178.103 176.600 0.019 0.000 1.072 69 E CA 1.124 57.538 56.400 0.022 0.000 0.885 69 E CB -0.092 29.619 29.700 0.018 0.000 0.813 69 E HN 0.652 nan 8.360 nan 0.000 0.556 70 S N 0.538 116.250 115.700 0.019 0.000 3.386 70 S HA 0.246 4.716 4.470 -0.000 0.000 0.181 70 S C 1.779 176.399 174.600 0.033 0.000 0.763 70 S CA 0.113 58.325 58.200 0.020 0.000 0.847 70 S CB -0.079 63.126 63.200 0.009 0.000 0.980 70 S HN 0.266 nan 8.310 nan 0.000 0.676 71 A N 0.532 123.371 122.820 0.032 0.000 2.208 71 A HA 0.252 4.572 4.320 -0.000 0.000 0.209 71 A C 0.390 178.016 177.584 0.070 0.000 1.161 71 A CA 0.213 52.280 52.037 0.051 0.000 0.782 71 A CB -0.631 18.394 19.000 0.042 0.000 0.816 71 A HN 0.546 nan 8.150 nan 0.000 0.477 72 Q N -0.616 119.206 119.800 0.037 0.000 2.454 72 Q HA -0.200 4.140 4.340 -0.000 0.000 0.341 72 Q C -0.833 175.147 176.000 -0.034 0.000 1.437 72 Q CA 0.893 56.683 55.803 -0.021 0.000 0.935 72 Q CB -1.506 27.236 28.738 0.008 0.000 1.164 72 Q HN 0.872 nan 8.270 nan 0.000 0.373 73 Q N -0.489 119.317 119.800 0.011 0.000 2.501 73 Q HA 0.600 4.940 4.340 -0.000 0.000 0.288 73 Q C -0.822 175.188 176.000 0.017 0.000 1.051 73 Q CA -1.126 54.700 55.803 0.039 0.000 0.788 73 Q CB 1.353 30.125 28.738 0.055 0.000 1.469 73 Q HN 0.075 nan 8.270 nan 0.000 0.416 74 L N 0.678 121.907 121.223 0.010 0.000 2.770 74 L HA 0.165 4.505 4.340 -0.000 0.000 0.229 74 L C 1.106 177.954 176.870 -0.036 0.000 1.173 74 L CA 0.406 55.214 54.840 -0.052 0.000 0.871 74 L CB 0.171 42.179 42.059 -0.085 0.000 1.682 74 L HN 0.668 nan 8.230 nan 0.000 0.523 75 D N -0.483 119.885 120.400 -0.053 0.000 2.219 75 D HA -0.128 4.512 4.640 -0.000 0.000 0.205 75 D C 1.211 177.497 176.300 -0.024 0.000 0.970 75 D CA 0.927 54.904 54.000 -0.038 0.000 0.851 75 D CB 0.042 40.815 40.800 -0.046 0.000 0.943 75 D HN 0.459 nan 8.370 nan 0.000 0.488 76 D N -0.453 119.933 120.400 -0.025 0.000 2.269 76 D HA 0.040 4.680 4.640 -0.000 0.000 0.208 76 D C 1.801 178.106 176.300 0.008 0.000 0.963 76 D CA 1.234 55.226 54.000 -0.013 0.000 0.864 76 D CB -0.148 40.640 40.800 -0.019 0.000 0.936 76 D HN 0.288 nan 8.370 nan 0.000 0.505 77 G N 0.088 108.900 108.800 0.019 0.000 2.176 77 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.253 77 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.253 77 G C 0.499 175.449 174.900 0.083 0.000 0.979 77 G CA 0.444 45.571 45.100 0.045 0.000 0.641 77 G HN 0.516 nan 8.290 nan 0.000 0.530 78 S N -0.016 115.729 115.700 0.075 0.000 2.566 78 S HA 0.460 4.930 4.470 -0.000 0.000 0.280 78 S C 0.190 174.927 174.600 0.228 0.000 1.343 78 S CA -0.072 58.203 58.200 0.125 0.000 1.036 78 S CB 1.166 64.395 63.200 0.048 0.000 0.866 78 S HN 1.341 nan 8.310 nan 0.000 0.526 79 F N 3.005 123.078 119.950 0.205 0.000 2.443 79 F HA 0.507 5.034 4.527 0.000 0.000 0.353 79 F C -0.199 175.855 175.800 0.425 0.000 1.101 79 F CA -0.444 57.709 58.000 0.256 0.000 1.226 79 F CB 0.466 39.590 39.000 0.205 0.000 1.140 79 F HN 0.706 nan 8.300 nan 0.000 0.557 80 W N 10.291 130.951 121.300 -1.068 0.000 3.268 80 W HA 0.203 4.863 4.660 0.000 0.000 0.330 80 W C -2.418 173.610 176.519 -0.818 0.000 1.074 80 W CA -1.703 55.181 57.345 -0.769 0.000 1.263 80 W CB 1.991 31.300 29.460 -0.251 0.000 1.250 80 W HN 0.412 nan 8.180 nan 0.000 0.425 81 P HA -0.089 nan 4.420 nan 0.000 0.217 81 P C 0.385 177.554 177.300 -0.219 0.000 1.150 81 P CA 1.199 63.988 63.100 -0.518 0.000 0.832 81 P CB 0.807 32.295 31.700 -0.353 0.000 0.787 82 S N -1.282 114.320 115.700 -0.162 0.000 2.533 82 S HA 0.519 4.989 4.470 -0.000 0.000 0.271 82 S C -3.006 171.770 174.600 0.293 0.000 1.143 82 S CA -1.719 56.517 58.200 0.059 0.000 0.891 82 S CB 1.333 64.514 63.200 -0.031 0.000 1.105 82 S HN -0.271 nan 8.310 nan 0.000 0.468 83 P HA 0.209 nan 4.420 nan 0.000 0.265 83 P C -0.815 176.583 177.300 0.165 0.000 1.222 83 P CA -0.180 63.023 63.100 0.171 0.000 0.767 83 P CB -0.045 31.743 31.700 0.146 0.000 0.801 84 I N 3.636 124.284 120.570 0.130 0.000 2.301 84 I HA 0.323 4.493 4.170 -0.000 0.000 0.292 84 I C 0.826 177.101 176.117 0.263 0.000 1.046 84 I CA 0.335 61.709 61.300 0.123 0.000 1.282 84 I CB 0.284 38.260 38.000 -0.041 0.000 1.409 84 I HN 0.237 nan 8.210 nan 0.000 0.484 85 T N 7.046 121.760 114.554 0.267 0.000 2.900 85 T HA 0.494 4.844 4.350 -0.000 0.000 0.303 85 T C -1.344 173.237 174.700 -0.199 0.000 1.142 85 T CA -0.522 61.688 62.100 0.184 0.000 1.007 85 T CB 1.795 70.807 68.868 0.241 0.000 1.156 85 T HN 0.361 nan 8.240 nan 0.000 0.490 86 L N 4.884 125.712 121.223 -0.658 0.000 2.296 86 L HA 0.750 5.090 4.340 -0.000 0.000 0.286 86 L C 0.009 176.507 176.870 -0.619 0.000 1.023 86 L CA -0.112 54.161 54.840 -0.945 0.000 0.812 86 L CB 1.001 42.011 42.059 -1.749 0.000 1.223 86 L HN 1.043 nan 8.230 nan 0.000 0.421 87 T N 1.577 115.826 114.554 -0.509 0.000 2.887 87 T HA 0.777 5.127 4.350 -0.000 0.000 0.292 87 T C -0.569 173.961 174.700 -0.284 0.000 1.087 87 T CA -0.579 61.235 62.100 -0.477 0.000 1.009 87 T CB 2.194 70.697 68.868 -0.608 0.000 1.203 87 T HN 0.677 nan 8.240 nan 0.000 0.518 88 S N -0.199 115.393 115.700 -0.180 0.000 2.615 88 S HA 0.543 5.013 4.470 -0.000 0.000 0.268 88 S C -1.286 173.333 174.600 0.032 0.000 1.146 88 S CA -0.805 57.343 58.200 -0.087 0.000 0.818 88 S CB 1.369 64.513 63.200 -0.094 0.000 1.111 88 S HN 1.138 nan 8.310 nan 0.000 0.465 89 R N 1.966 122.498 120.500 0.054 0.000 2.727 89 R HA 0.349 4.689 4.340 -0.000 0.000 0.410 89 R C -0.830 175.560 176.300 0.151 0.000 1.101 89 R CA -0.436 55.756 56.100 0.153 0.000 1.045 89 R CB -1.056 29.283 30.300 0.066 0.000 1.380 89 R HN 0.518 nan 8.270 nan 0.000 0.587 90 D N 0.998 121.432 120.400 0.056 0.000 2.225 90 D HA 0.293 4.933 4.640 -0.000 0.000 0.248 90 D C 1.132 177.316 176.300 -0.192 0.000 1.096 90 D CA -0.003 53.964 54.000 -0.055 0.000 0.863 90 D CB 1.665 42.398 40.800 -0.113 0.000 1.156 90 D HN 0.278 nan 8.370 nan 0.000 0.450 91 R N 2.819 123.252 120.500 -0.112 0.000 2.285 91 R HA 0.141 4.481 4.340 -0.000 0.000 0.213 91 R C 1.714 177.837 176.300 -0.295 0.000 1.068 91 R CA 1.451 57.453 56.100 -0.163 0.000 1.004 91 R CB -0.948 29.345 30.300 -0.011 0.000 0.873 91 R HN 0.547 nan 8.270 nan 0.000 0.467 92 A N 0.006 122.665 122.820 -0.268 0.000 2.259 92 A HA 0.353 4.673 4.320 -0.000 0.000 0.208 92 A C 1.901 179.279 177.584 -0.342 0.000 1.201 92 A CA 0.450 52.344 52.037 -0.239 0.000 0.824 92 A CB -0.146 18.760 19.000 -0.158 0.000 0.838 92 A HN 0.456 nan 8.150 nan 0.000 0.485 93 L N -1.990 118.871 121.223 -0.603 0.000 2.470 93 L HA 0.105 4.445 4.340 -0.000 0.000 0.219 93 L C 2.813 179.187 176.870 -0.827 0.000 1.071 93 L CA 0.695 55.092 54.840 -0.737 0.000 0.850 93 L CB -0.384 41.108 42.059 -0.944 0.000 1.040 93 L HN 0.344 nan 8.230 nan 0.000 0.475 94 A N 1.260 123.512 122.820 -0.947 0.000 1.917 94 A HA -0.239 4.081 4.320 -0.000 0.000 0.219 94 A C 1.023 178.526 177.584 -0.134 0.000 1.182 94 A CA 2.085 53.909 52.037 -0.355 0.000 0.633 94 A CB -0.755 18.224 19.000 -0.035 0.000 0.819 94 A HN 0.586 nan 8.150 nan 0.000 0.448 95 D N -1.564 118.739 120.400 -0.161 0.000 3.139 95 D HA 0.463 5.103 4.640 -0.000 0.000 0.268 95 D C 0.068 176.312 176.300 -0.093 0.000 1.322 95 D CA -0.241 53.709 54.000 -0.083 0.000 0.940 95 D CB -0.016 40.749 40.800 -0.058 0.000 1.050 95 D HN 0.309 nan 8.370 nan 0.000 0.503 96 R N 0.042 120.483 120.500 -0.099 0.000 2.837 96 R HA 0.778 5.118 4.340 -0.000 0.000 0.271 96 R C -1.130 175.157 176.300 -0.023 0.000 0.993 96 R CA -0.865 55.192 56.100 -0.072 0.000 0.931 96 R CB 1.351 31.584 30.300 -0.113 0.000 1.206 96 R HN 0.205 nan 8.270 nan 0.000 0.474 97 R N 1.399 121.897 120.500 -0.003 0.000 2.663 97 R HA 0.463 4.803 4.340 -0.000 0.000 0.267 97 R C -2.901 173.417 176.300 0.030 0.000 1.038 97 R CA -2.070 54.046 56.100 0.026 0.000 0.886 97 R CB 0.070 30.385 30.300 0.026 0.000 1.249 97 R HN 0.378 nan 8.270 nan 0.000 0.463 98 P HA 0.014 nan 4.420 nan 0.000 0.269 98 P C 0.753 178.071 177.300 0.029 0.000 1.200 98 P CA 1.867 64.994 63.100 0.045 0.000 0.779 98 P CB 0.435 32.165 31.700 0.049 0.000 0.841 99 G N 0.372 109.187 108.800 0.026 0.000 2.498 99 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.229 99 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.229 99 G C 0.047 174.955 174.900 0.013 0.000 1.156 99 G CA -0.129 44.981 45.100 0.017 0.000 0.680 99 G HN 0.604 nan 8.290 nan 0.000 0.512 100 E N 1.266 121.472 120.200 0.011 0.000 2.437 100 E HA 0.348 4.698 4.350 -0.000 0.000 0.263 100 E C 0.419 177.023 176.600 0.007 0.000 1.030 100 E CA 0.238 56.640 56.400 0.004 0.000 0.934 100 E CB 0.512 30.210 29.700 -0.003 0.000 0.943 100 E HN 0.426 nan 8.360 nan 0.000 0.444 101 R N 1.969 122.470 120.500 0.002 0.000 2.393 101 R HA 0.420 4.760 4.340 -0.000 0.000 0.310 101 R C -0.499 175.799 176.300 -0.004 0.000 0.968 101 R CA -0.544 55.559 56.100 0.004 0.000 0.867 101 R CB 1.022 31.325 30.300 0.005 0.000 1.124 101 R HN 0.365 nan 8.270 nan 0.000 0.450 102 L N 2.087 123.309 121.223 -0.001 0.000 2.329 102 L HA 0.579 4.919 4.340 -0.000 0.000 0.279 102 L C -0.411 176.453 176.870 -0.009 0.000 1.014 102 L CA -0.758 54.075 54.840 -0.013 0.000 0.814 102 L CB 1.798 43.847 42.059 -0.017 0.000 1.257 102 L HN 0.726 nan 8.230 nan 0.000 0.424 103 A N 5.819 128.626 122.820 -0.021 0.000 2.320 103 A HA 0.584 4.904 4.320 -0.000 0.000 0.287 103 A C -0.713 176.860 177.584 -0.019 0.000 1.181 103 A CA -0.370 51.654 52.037 -0.022 0.000 0.831 103 A CB 0.170 19.149 19.000 -0.034 0.000 1.102 103 A HN 0.663 nan 8.150 nan 0.000 0.513 104 L N 3.450 124.670 121.223 -0.005 0.000 2.295 104 L HA 0.595 4.935 4.340 -0.000 0.000 0.285 104 L C 0.440 177.311 176.870 0.000 0.000 1.035 104 L CA -0.287 54.555 54.840 0.003 0.000 0.806 104 L CB 1.282 43.363 42.059 0.036 0.000 1.214 104 L HN 0.782 nan 8.230 nan 0.000 0.426 105 R N 0.596 121.100 120.500 0.006 0.000 2.837 105 R HA 0.395 4.735 4.340 -0.000 0.000 0.271 105 R C -1.175 175.160 176.300 0.058 0.000 0.993 105 R CA -1.089 55.025 56.100 0.023 0.000 0.931 105 R CB 1.876 32.181 30.300 0.008 0.000 1.206 105 R HN 0.666 nan 8.270 nan 0.000 0.474 106 D N 0.228 120.693 120.400 0.109 0.000 2.346 106 D HA -0.015 4.625 4.640 -0.000 0.000 0.249 106 D C 1.180 177.530 176.300 0.082 0.000 1.308 106 D CA -0.185 53.879 54.000 0.106 0.000 0.987 106 D CB 0.046 40.924 40.800 0.130 0.000 1.114 106 D HN 0.582 nan 8.370 nan 0.000 0.529 107 G N -2.091 106.757 108.800 0.080 0.000 2.586 107 G HA2 0.019 3.979 3.960 -0.000 0.000 0.215 107 G HA3 0.019 3.979 3.960 -0.000 0.000 0.215 107 G C 1.041 175.975 174.900 0.057 0.000 1.128 107 G CA 0.984 46.125 45.100 0.068 0.000 0.774 107 G HN 0.795 nan 8.290 nan 0.000 0.543 108 E N -0.253 119.988 120.200 0.068 0.000 2.609 108 E HA 0.463 4.813 4.350 -0.000 0.000 0.208 108 E C 1.390 178.038 176.600 0.079 0.000 1.013 108 E CA 0.420 56.858 56.400 0.063 0.000 1.093 108 E CB -0.960 28.774 29.700 0.056 0.000 1.129 108 E HN 1.171 nan 8.360 nan 0.000 0.450 109 G N -0.041 108.799 108.800 0.067 0.000 2.220 109 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.269 109 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.269 109 G C 0.370 175.317 174.900 0.079 0.000 0.977 109 G CA 0.477 45.608 45.100 0.052 0.000 0.634 109 G HN 0.923 nan 8.290 nan 0.000 0.539 110 Y N 1.068 121.363 120.300 -0.008 0.000 2.442 110 Y HA 0.528 5.078 4.550 0.000 0.000 0.330 110 Y C 0.789 176.684 175.900 -0.009 0.000 1.129 110 Y CA -0.290 57.803 58.100 -0.010 0.000 1.365 110 Y CB 0.507 38.960 38.460 -0.013 0.000 1.233 110 Y HN 0.390 nan 8.280 nan 0.000 0.529 111 M N 7.076 126.381 119.600 -0.492 0.000 2.185 111 M HA 0.307 4.787 4.480 -0.000 0.000 0.357 111 M C -1.322 174.777 176.300 -0.336 0.000 1.260 111 M CA 0.582 55.687 55.300 -0.324 0.000 1.124 111 M CB 0.608 33.043 32.600 -0.275 0.000 1.600 111 M HN 0.818 nan 8.290 nan 0.000 0.467 112 L N 3.377 124.531 121.223 -0.115 0.000 2.526 112 L HA 0.759 5.099 4.340 -0.000 0.000 0.210 112 L C 0.519 177.378 176.870 -0.018 0.000 1.048 112 L CA 0.197 55.019 54.840 -0.029 0.000 0.852 112 L CB 0.083 42.171 42.059 0.049 0.000 1.128 112 L HN 0.906 nan 8.230 nan 0.000 0.482 113 A N 0.507 123.321 122.820 -0.011 0.000 2.586 113 A HA 0.594 4.914 4.320 -0.000 0.000 0.291 113 A C -1.901 175.688 177.584 0.008 0.000 1.062 113 A CA -0.536 51.504 52.037 0.005 0.000 0.666 113 A CB 1.025 20.044 19.000 0.032 0.000 1.281 113 A HN 0.107 nan 8.150 nan 0.000 0.421 114 I N -0.458 120.117 120.570 0.010 0.000 2.377 114 I HA 0.776 4.946 4.170 -0.000 0.000 0.293 114 I C -0.734 175.404 176.117 0.035 0.000 0.987 114 I CA -0.754 60.555 61.300 0.015 0.000 1.185 114 I CB 1.392 39.394 38.000 0.004 0.000 1.341 114 I HN 0.593 nan 8.210 nan 0.000 0.455 115 L N 6.322 127.575 121.223 0.050 0.000 2.276 115 L HA 0.587 4.927 4.340 -0.000 0.000 0.286 115 L C -0.110 176.791 176.870 0.051 0.000 1.061 115 L CA 0.469 55.355 54.840 0.077 0.000 0.807 115 L CB 1.099 43.225 42.059 0.110 0.000 1.177 115 L HN 0.822 nan 8.230 nan 0.000 0.429 116 T N 6.589 121.173 114.554 0.050 0.000 2.762 116 T HA 0.362 4.712 4.350 -0.000 0.000 0.303 116 T C 0.354 175.085 174.700 0.052 0.000 0.977 116 T CA -0.403 61.719 62.100 0.037 0.000 0.961 116 T CB -0.110 68.772 68.868 0.024 0.000 0.944 116 T HN 0.453 nan 8.240 nan 0.000 0.481 117 L N 3.066 124.319 121.223 0.049 0.000 2.654 117 L HA 0.031 4.371 4.340 -0.000 0.000 0.271 117 L C 1.486 178.398 176.870 0.069 0.000 1.169 117 L CA -0.075 54.804 54.840 0.066 0.000 0.947 117 L CB 0.343 42.433 42.059 0.052 0.000 1.232 117 L HN 0.706 nan 8.230 nan 0.000 0.486 118 S N 1.342 117.097 115.700 0.092 0.000 2.371 118 S HA -0.011 4.459 4.470 -0.000 0.000 0.221 118 S C 0.341 175.001 174.600 0.100 0.000 1.036 118 S CA 0.585 58.834 58.200 0.082 0.000 0.965 118 S CB 0.159 63.410 63.200 0.085 0.000 0.845 118 S HN 0.741 nan 8.310 nan 0.000 0.475 119 D N -0.449 120.050 120.400 0.165 0.000 2.655 119 D HA 0.523 5.163 4.640 -0.000 0.000 0.229 119 D C -1.739 174.776 176.300 0.358 0.000 1.229 119 D CA -0.320 53.813 54.000 0.222 0.000 0.807 119 D CB 2.249 43.162 40.800 0.189 0.000 1.514 119 D HN -0.041 nan 8.370 nan 0.000 0.444 120 V N 3.105 123.263 119.914 0.408 0.000 2.777 120 V HA 0.764 4.884 4.120 -0.000 0.000 0.306 120 V C -0.938 175.501 176.094 0.575 0.000 1.112 120 V CA -0.713 61.841 62.300 0.423 0.000 0.917 120 V CB 1.680 33.630 31.823 0.211 0.000 1.018 120 V HN 0.721 nan 8.190 nan 0.000 0.426 121 W N 3.647 125.075 121.300 0.214 0.000 2.923 121 W HA 0.826 5.486 4.660 -0.000 0.000 0.373 121 W C -1.553 175.039 176.519 0.121 0.000 1.205 121 W CA -1.052 56.386 57.345 0.154 0.000 1.180 121 W CB 1.637 31.114 29.460 0.028 0.000 1.477 121 W HN 0.544 nan 8.180 nan 0.000 0.581 122 K N 1.100 121.433 120.400 -0.111 0.000 2.340 122 K HA 0.511 4.831 4.320 -0.000 0.000 0.244 122 K C -1.959 174.475 176.600 -0.278 0.000 0.973 122 K CA -0.582 55.357 56.287 -0.579 0.000 0.828 122 K CB 2.025 33.877 32.500 -1.080 0.000 1.226 122 K HN 0.493 nan 8.250 nan 0.000 0.437 123 D N 1.640 121.865 120.400 -0.293 0.000 2.891 123 D HA 0.338 4.978 4.640 -0.000 0.000 0.224 123 D C 0.245 176.477 176.300 -0.115 0.000 1.321 123 D CA 0.952 54.873 54.000 -0.131 0.000 0.929 123 D CB 1.433 42.166 40.800 -0.111 0.000 1.551 123 D HN 0.763 nan 8.370 nan 0.000 0.574 124 G N 3.380 112.119 108.800 -0.101 0.000 2.611 124 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.301 124 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.301 124 G C 0.791 175.602 174.900 -0.148 0.000 1.233 124 G CA 1.207 46.253 45.100 -0.090 0.000 0.993 124 G HN 0.839 nan 8.290 nan 0.000 0.553 125 E N 0.162 120.290 120.200 -0.120 0.000 2.474 125 E HA 0.622 4.972 4.350 -0.000 0.000 0.195 125 E C 1.399 177.908 176.600 -0.153 0.000 1.039 125 E CA 1.819 58.137 56.400 -0.137 0.000 0.881 125 E CB -0.154 29.504 29.700 -0.070 0.000 0.970 125 E HN 1.749 nan 8.360 nan 0.000 0.486 126 R N -0.011 120.396 120.500 -0.155 0.000 2.637 126 R HA 0.608 4.948 4.340 -0.000 0.000 0.291 126 R C -0.668 175.537 176.300 -0.159 0.000 0.963 126 R CA -0.754 55.280 56.100 -0.109 0.000 0.901 126 R CB 0.333 30.574 30.300 -0.099 0.000 1.160 126 R HN 0.437 nan 8.270 nan 0.000 0.457 127 W N 1.471 122.670 121.300 -0.169 0.000 2.313 127 W HA 0.412 5.072 4.660 -0.000 0.000 0.328 127 W C -0.482 175.790 176.519 -0.412 0.000 1.197 127 W CA -0.067 57.134 57.345 -0.239 0.000 1.235 127 W CB 1.560 30.898 29.460 -0.202 0.000 1.158 127 W HN 0.733 nan 8.180 nan 0.000 0.578 128 H N 1.466 120.157 119.070 -0.631 0.000 2.621 128 H HA 0.612 5.168 4.556 -0.000 0.000 0.360 128 H C -0.266 174.636 175.328 -0.710 0.000 1.163 128 H CA -0.352 55.115 56.048 -0.969 0.000 1.194 128 H CB 1.664 30.173 29.762 -2.089 0.000 1.649 128 H HN 0.083 nan 8.280 nan 0.000 0.532 129 L N 0.819 121.843 121.223 -0.332 0.000 2.376 129 L HA 0.889 5.229 4.340 -0.000 0.000 0.258 129 L C -0.740 176.193 176.870 0.105 0.000 1.013 129 L CA -1.221 53.572 54.840 -0.078 0.000 0.822 129 L CB 2.210 44.194 42.059 -0.125 0.000 1.388 129 L HN 0.696 nan 8.230 nan 0.000 0.413 130 A N 0.506 123.455 122.820 0.215 0.000 2.572 130 A HA 0.996 5.316 4.320 -0.000 0.000 0.295 130 A C -0.510 177.200 177.584 0.209 0.000 1.072 130 A CA -0.034 52.172 52.037 0.281 0.000 0.691 130 A CB 2.052 21.247 19.000 0.325 0.000 1.291 130 A HN 1.118 nan 8.150 nan 0.000 0.404 131 G N 0.231 109.145 108.800 0.190 0.000 2.326 131 G HA2 0.410 4.370 3.960 -0.000 0.000 0.413 131 G HA3 0.410 4.370 3.960 -0.000 0.000 0.413 131 G C -1.206 173.741 174.900 0.079 0.000 1.444 131 G CA -0.961 44.208 45.100 0.114 0.000 1.002 131 G HN 0.772 nan 8.290 nan 0.000 0.649 132 E N -0.979 119.239 120.200 0.030 0.000 2.436 132 E HA 0.365 4.715 4.350 -0.000 0.000 0.262 132 E C 0.362 176.963 176.600 0.002 0.000 1.063 132 E CA 0.031 56.427 56.400 -0.007 0.000 0.944 132 E CB 1.491 31.184 29.700 -0.012 0.000 0.950 132 E HN 0.526 nan 8.360 nan 0.000 0.444 133 V N 2.297 122.189 119.914 -0.037 0.000 2.628 133 V HA 0.277 4.397 4.120 -0.000 0.000 0.306 133 V C -0.159 175.921 176.094 -0.022 0.000 1.045 133 V CA -0.612 61.675 62.300 -0.021 0.000 0.905 133 V CB 1.848 33.627 31.823 -0.074 0.000 0.997 133 V HN 0.539 nan 8.190 nan 0.000 0.436 134 E N 2.061 122.258 120.200 -0.005 0.000 2.218 134 E HA 0.583 4.933 4.350 -0.000 0.000 0.263 134 E C -0.133 176.464 176.600 -0.005 0.000 0.879 134 E CA -0.413 55.982 56.400 -0.010 0.000 0.762 134 E CB 2.143 31.839 29.700 -0.007 0.000 1.166 134 E HN 0.867 nan 8.360 nan 0.000 0.415 135 G N 1.250 110.044 108.800 -0.009 0.000 2.356 135 G HA2 0.482 4.442 3.960 -0.000 0.000 0.322 135 G HA3 0.482 4.442 3.960 -0.000 0.000 0.322 135 G C 0.285 175.181 174.900 -0.008 0.000 1.125 135 G CA -0.193 44.905 45.100 -0.004 0.000 0.885 135 G HN 0.564 nan 8.290 nan 0.000 0.467 136 A N 1.831 124.642 122.820 -0.015 0.000 1.938 136 A HA 0.792 5.112 4.320 -0.000 0.000 0.207 136 A C 1.316 178.895 177.584 -0.008 0.000 1.292 136 A CA 1.414 53.436 52.037 -0.025 0.000 0.700 136 A CB -0.138 18.826 19.000 -0.059 0.000 0.947 136 A HN 1.640 nan 8.150 nan 0.000 0.476 137 A N -0.862 121.958 122.820 -0.000 0.000 2.515 137 A HA 0.659 4.979 4.320 -0.000 0.000 0.296 137 A C -1.189 176.453 177.584 0.097 0.000 1.094 137 A CA -0.609 51.469 52.037 0.069 0.000 0.718 137 A CB 0.686 19.759 19.000 0.123 0.000 1.307 137 A HN 0.291 nan 8.150 nan 0.000 0.408 138 L N 0.739 122.024 121.223 0.103 0.000 2.379 138 L HA 0.511 4.851 4.340 -0.000 0.000 0.269 138 L C -2.265 174.634 176.870 0.048 0.000 1.084 138 L CA -1.804 53.080 54.840 0.073 0.000 0.802 138 L CB -0.410 41.685 42.059 0.059 0.000 1.175 138 L HN 0.354 nan 8.230 nan 0.000 0.448 139 P HA 0.017 nan 4.420 nan 0.000 0.261 139 P C -2.462 174.582 177.300 -0.426 0.000 1.173 139 P CA -0.418 62.574 63.100 -0.180 0.000 0.760 139 P CB -0.380 31.180 31.700 -0.233 0.000 0.783 140 P HA 0.090 nan 4.420 nan 0.000 0.271 140 P C -0.676 176.396 177.300 -0.380 0.000 1.220 140 P CA 0.643 63.524 63.100 -0.364 0.000 0.768 140 P CB 0.388 31.836 31.700 -0.421 0.000 0.848 141 H N 3.829 122.870 119.070 -0.049 0.000 2.854 141 H HA 0.209 4.765 4.556 -0.000 0.000 0.275 141 H C -1.850 173.462 175.328 -0.027 0.000 1.198 141 H CA -1.546 54.483 56.048 -0.031 0.000 1.489 141 H CB 0.979 30.724 29.762 -0.028 0.000 1.519 141 H HN 0.307 nan 8.280 nan 0.000 0.503 142 P HA -0.077 nan 4.420 nan 0.000 0.222 142 P C 0.200 177.508 177.300 0.014 0.000 1.153 142 P CA 0.760 63.879 63.100 0.031 0.000 0.798 142 P CB 0.495 32.202 31.700 0.012 0.000 0.796 143 D N -0.178 120.221 120.400 -0.002 0.000 2.210 143 D HA 0.049 4.689 4.640 -0.000 0.000 0.249 143 D C -0.118 176.100 176.300 -0.138 0.000 1.078 143 D CA -0.784 53.104 54.000 -0.186 0.000 0.875 143 D CB 0.536 41.184 40.800 -0.253 0.000 1.175 143 D HN -0.023 nan 8.370 nan 0.000 0.440 144 F N 0.292 120.268 119.950 0.042 0.000 3.074 144 F HA -0.257 4.270 4.527 -0.000 0.000 0.289 144 F C 1.693 177.479 175.800 -0.024 0.000 0.863 144 F CA -0.295 57.702 58.000 -0.006 0.000 1.121 144 F CB -2.382 36.586 39.000 -0.053 0.000 1.169 144 F HN 0.280 nan 8.300 nan 0.000 0.570 145 V N 0.303 120.298 119.914 0.134 0.000 2.250 145 V HA -0.435 3.685 4.120 -0.000 0.000 0.253 145 V C 2.188 178.321 176.094 0.064 0.000 1.065 145 V CA 2.825 65.174 62.300 0.082 0.000 1.039 145 V CB -0.682 31.176 31.823 0.059 0.000 0.647 145 V HN 0.726 nan 8.190 nan 0.000 0.446 146 S N 0.258 116.000 115.700 0.071 0.000 2.359 146 S HA -0.258 4.212 4.470 -0.000 0.000 0.222 146 S C 1.878 176.483 174.600 0.008 0.000 1.038 146 S CA 2.004 60.224 58.200 0.034 0.000 1.051 146 S CB -0.880 62.343 63.200 0.038 0.000 0.944 146 S HN 0.515 nan 8.310 nan 0.000 0.433 147 L N 0.869 122.101 121.223 0.015 0.000 2.362 147 L HA 0.023 4.363 4.340 -0.000 0.000 0.219 147 L C 0.981 177.819 176.870 -0.054 0.000 1.134 147 L CA 0.642 55.454 54.840 -0.046 0.000 0.807 147 L CB -0.392 41.602 42.059 -0.109 0.000 0.927 147 L HN 0.156 nan 8.230 nan 0.000 0.447 148 R N 0.836 121.322 120.500 -0.023 0.000 2.220 148 R HA 0.490 4.830 4.340 -0.000 0.000 0.340 148 R C -0.206 176.090 176.300 -0.006 0.000 1.076 148 R CA -0.202 55.877 56.100 -0.036 0.000 0.920 148 R CB 0.797 31.070 30.300 -0.045 0.000 1.062 148 R HN 0.019 nan 8.270 nan 0.000 0.469 149 A N 2.162 124.992 122.820 0.017 0.000 2.340 149 A HA 0.495 4.814 4.320 -0.000 0.000 0.331 149 A C 0.197 177.871 177.584 0.149 0.000 1.140 149 A CA -0.775 51.288 52.037 0.043 0.000 0.801 149 A CB 1.157 20.148 19.000 -0.015 0.000 1.234 149 A HN 0.685 nan 8.150 nan 0.000 0.469 150 T N 0.020 114.619 114.554 0.075 0.000 2.868 150 T HA 0.397 4.747 4.350 -0.000 0.000 0.292 150 T C -1.967 172.712 174.700 -0.035 0.000 1.028 150 T CA -1.305 60.816 62.100 0.035 0.000 1.059 150 T CB 0.667 69.517 68.868 -0.030 0.000 0.991 150 T HN 0.286 nan 8.240 nan 0.000 0.531 151 P HA -0.148 nan 4.420 nan 0.000 0.217 151 P C 1.626 178.803 177.300 -0.204 0.000 1.151 151 P CA 1.721 64.479 63.100 -0.570 0.000 0.849 151 P CB -0.279 30.936 31.700 -0.808 0.000 0.787 152 A N -0.386 122.344 122.820 -0.150 0.000 1.898 152 A HA -0.223 4.097 4.320 -0.000 0.000 0.216 152 A C 2.176 179.711 177.584 -0.082 0.000 1.181 152 A CA 1.657 53.640 52.037 -0.090 0.000 0.620 152 A CB -1.186 17.772 19.000 -0.069 0.000 0.819 152 A HN 0.164 nan 8.150 nan 0.000 0.442 153 E N -0.365 119.788 120.200 -0.078 0.000 2.077 153 E HA -0.150 4.200 4.350 -0.000 0.000 0.193 153 E C 2.002 178.504 176.600 -0.163 0.000 0.989 153 E CA 1.032 57.379 56.400 -0.090 0.000 0.800 153 E CB -0.226 29.438 29.700 -0.061 0.000 0.746 153 E HN 0.583 nan 8.360 nan 0.000 0.452 154 L N 0.607 121.723 121.223 -0.178 0.000 2.017 154 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 154 L C 2.534 179.057 176.870 -0.578 0.000 1.073 154 L CA 1.287 55.877 54.840 -0.416 0.000 0.745 154 L CB -0.141 41.770 42.059 -0.248 0.000 0.894 154 L HN 0.104 nan 8.230 nan 0.000 0.432 155 R N -0.554 119.811 120.500 -0.226 0.000 2.103 155 R HA -0.208 4.132 4.340 -0.000 0.000 0.242 155 R C 2.281 178.554 176.300 -0.045 0.000 1.142 155 R CA 1.480 57.564 56.100 -0.027 0.000 0.960 155 R CB -0.467 29.859 30.300 0.045 0.000 0.858 155 R HN 0.443 nan 8.270 nan 0.000 0.439 156 A N 1.341 124.103 122.820 -0.096 0.000 1.902 156 A HA -0.160 4.160 4.320 -0.000 0.000 0.217 156 A C 2.112 179.634 177.584 -0.103 0.000 1.181 156 A CA 0.987 52.980 52.037 -0.072 0.000 0.623 156 A CB -0.594 18.363 19.000 -0.073 0.000 0.818 156 A HN 0.251 nan 8.150 nan 0.000 0.443 157 L N -1.222 119.874 121.223 -0.213 0.000 1.970 157 L HA -0.188 4.152 4.340 -0.000 0.000 0.212 157 L C 2.467 179.199 176.870 -0.229 0.000 1.071 157 L CA 2.340 57.017 54.840 -0.273 0.000 0.751 157 L CB -0.915 40.887 42.059 -0.430 0.000 0.889 157 L HN 0.412 nan 8.230 nan 0.000 0.432 158 F N -0.149 119.651 119.950 -0.249 0.000 2.141 158 F HA -0.256 4.271 4.527 -0.000 0.000 0.300 158 F C 2.627 178.358 175.800 -0.116 0.000 1.079 158 F CA 1.261 59.106 58.000 -0.258 0.000 1.264 158 F CB -1.500 37.461 39.000 -0.065 0.000 1.011 158 F HN -0.067 nan 8.300 nan 0.000 0.487 159 V N -0.279 119.709 119.914 0.123 0.000 2.548 159 V HA -0.200 3.920 4.120 -0.000 0.000 0.249 159 V C 2.362 178.485 176.094 0.050 0.000 1.055 159 V CA 1.479 63.835 62.300 0.093 0.000 1.065 159 V CB -0.443 31.421 31.823 0.069 0.000 0.681 159 V HN 0.250 nan 8.190 nan 0.000 0.462 160 R N -0.265 120.236 120.500 0.001 0.000 2.090 160 R HA -0.004 4.336 4.340 -0.000 0.000 0.228 160 R C 2.325 178.624 176.300 -0.001 0.000 1.110 160 R CA 0.748 56.842 56.100 -0.009 0.000 0.973 160 R CB -0.253 30.024 30.300 -0.040 0.000 0.869 160 R HN 0.343 nan 8.270 nan 0.000 0.440 161 R N 0.069 120.541 120.500 -0.047 0.000 2.316 161 R HA -0.001 4.339 4.340 -0.000 0.000 0.202 161 R C 0.968 177.378 176.300 0.184 0.000 1.029 161 R CA 0.873 56.951 56.100 -0.037 0.000 1.018 161 R CB 0.041 30.072 30.300 -0.449 0.000 0.888 161 R HN 0.501 nan 8.270 nan 0.000 0.471 162 G N 0.531 109.434 108.800 0.172 0.000 2.153 162 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.252 162 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.252 162 G C -0.372 174.722 174.900 0.323 0.000 0.994 162 G CA 0.149 45.375 45.100 0.210 0.000 0.698 162 G HN 0.193 nan 8.290 nan 0.000 0.521 163 W N -0.470 120.847 121.300 0.028 0.000 2.184 163 W HA 0.768 5.428 4.660 -0.000 0.000 0.338 163 W C 1.376 177.859 176.519 -0.060 0.000 1.257 163 W CA -0.540 56.780 57.345 -0.040 0.000 1.243 163 W CB 0.405 29.802 29.460 -0.105 0.000 1.122 163 W HN 0.117 nan 8.180 nan 0.000 0.585 164 R N 0.233 120.787 120.500 0.090 0.000 3.275 164 R HA 0.178 4.518 4.340 -0.000 0.000 0.154 164 R C 0.355 176.627 176.300 -0.046 0.000 0.843 164 R CA -0.523 55.593 56.100 0.026 0.000 1.027 164 R CB 0.242 30.548 30.300 0.010 0.000 1.423 164 R HN 0.198 nan 8.270 nan 0.000 0.530 165 R N 1.871 122.312 120.500 -0.099 0.000 2.265 165 R HA 0.450 4.790 4.340 -0.000 0.000 0.319 165 R C -1.133 175.051 176.300 -0.192 0.000 1.006 165 R CA -0.027 56.001 56.100 -0.120 0.000 0.880 165 R CB 0.599 30.832 30.300 -0.111 0.000 1.077 165 R HN 0.116 nan 8.270 nan 0.000 0.454 166 I N 6.373 126.843 120.570 -0.167 0.000 2.548 166 I HA 0.284 4.454 4.170 -0.000 0.000 0.287 166 I C -0.288 175.764 176.117 -0.108 0.000 1.103 166 I CA -0.723 60.459 61.300 -0.198 0.000 1.049 166 I CB 2.229 40.062 38.000 -0.280 0.000 1.232 166 I HN 0.498 nan 8.210 nan 0.000 0.429 167 I N 4.928 125.441 120.570 -0.095 0.000 2.428 167 I HA 0.588 4.758 4.170 -0.000 0.000 0.289 167 I C 0.502 176.637 176.117 0.029 0.000 1.019 167 I CA -0.297 60.991 61.300 -0.019 0.000 1.351 167 I CB 1.351 39.343 38.000 -0.014 0.000 1.412 167 I HN 0.600 nan 8.210 nan 0.000 0.513 168 A N 7.311 130.174 122.820 0.072 0.000 2.337 168 A HA 0.544 4.864 4.320 -0.000 0.000 0.329 168 A C -1.301 176.402 177.584 0.199 0.000 1.146 168 A CA -0.499 51.600 52.037 0.103 0.000 0.800 168 A CB 1.406 20.445 19.000 0.065 0.000 1.220 168 A HN 0.882 nan 8.150 nan 0.000 0.472 169 W N 3.294 124.599 121.300 0.009 0.000 2.463 169 W HA 0.386 5.046 4.660 0.000 0.000 0.316 169 W C -1.342 175.176 176.519 -0.002 0.000 1.004 169 W CA -0.328 57.028 57.345 0.018 0.000 1.309 169 W CB 1.361 30.840 29.460 0.032 0.000 1.288 169 W HN 0.792 nan 8.180 nan 0.000 0.423 170 Q N 4.453 124.049 119.800 -0.340 0.000 3.091 170 Q HA 0.335 4.675 4.340 -0.000 0.000 0.301 170 Q C 0.735 176.520 176.000 -0.359 0.000 1.337 170 Q CA -0.277 55.371 55.803 -0.258 0.000 1.083 170 Q CB 0.638 29.254 28.738 -0.203 0.000 1.477 170 Q HN 0.421 nan 8.270 nan 0.000 0.537 171 A N 1.498 124.153 122.820 -0.275 0.000 2.561 171 A HA -0.015 4.305 4.320 -0.000 0.000 0.234 171 A C 0.925 178.468 177.584 -0.068 0.000 1.055 171 A CA 0.229 52.215 52.037 -0.085 0.000 0.756 171 A CB 0.222 19.474 19.000 0.420 0.000 0.986 171 A HN 0.845 nan 8.150 nan 0.000 0.505 172 R N 0.473 120.971 120.500 -0.003 0.000 2.476 172 R HA 0.205 4.545 4.340 -0.000 0.000 0.276 172 R C -0.015 176.350 176.300 0.108 0.000 0.941 172 R CA 0.358 56.474 56.100 0.027 0.000 1.088 172 R CB 0.073 30.373 30.300 0.001 0.000 1.216 172 R HN 0.870 nan 8.270 nan 0.000 0.533 173 Q N -0.121 119.788 119.800 0.183 0.000 2.522 173 Q HA 0.553 4.893 4.340 -0.000 0.000 0.285 173 Q C -3.127 173.023 176.000 0.249 0.000 0.982 173 Q CA -2.370 53.552 55.803 0.199 0.000 0.805 173 Q CB 1.589 30.424 28.738 0.161 0.000 1.457 173 Q HN -0.203 nan 8.270 nan 0.000 0.394 174 P HA 0.020 nan 4.420 nan 0.000 0.268 174 P C -1.125 176.021 177.300 -0.257 0.000 1.208 174 P CA -0.062 62.986 63.100 -0.087 0.000 0.777 174 P CB 0.407 32.019 31.700 -0.146 0.000 0.875 175 M N 3.178 122.470 119.600 -0.514 0.000 2.238 175 M HA 0.261 4.741 4.480 -0.000 0.000 0.350 175 M C -0.474 175.488 176.300 -0.563 0.000 1.138 175 M CA -0.178 54.870 55.300 -0.420 0.000 1.040 175 M CB 0.636 32.988 32.600 -0.412 0.000 1.639 175 M HN 0.413 nan 8.290 nan 0.000 0.451 176 H N 2.246 121.195 119.070 -0.202 0.000 3.117 176 H HA 0.328 4.884 4.556 -0.000 0.000 0.288 176 H C 0.101 175.278 175.328 -0.251 0.000 1.604 176 H CA -0.659 55.212 56.048 -0.295 0.000 1.488 176 H CB 0.821 30.188 29.762 -0.659 0.000 1.813 176 H HN 0.723 nan 8.280 nan 0.000 0.817 177 R N 0.250 120.559 120.500 -0.318 0.000 2.152 177 R HA -0.072 4.268 4.340 -0.000 0.000 0.232 177 R C 1.796 177.881 176.300 -0.358 0.000 1.117 177 R CA 1.360 57.253 56.100 -0.344 0.000 0.981 177 R CB -0.168 29.799 30.300 -0.555 0.000 0.870 177 R HN 0.588 nan 8.270 nan 0.000 0.451 178 A N 1.066 123.587 122.820 -0.499 0.000 1.854 178 A HA -0.174 4.146 4.320 -0.000 0.000 0.214 178 A C 2.040 179.632 177.584 0.013 0.000 1.192 178 A CA 1.166 52.970 52.037 -0.388 0.000 0.611 178 A CB -0.398 18.503 19.000 -0.164 0.000 0.832 178 A HN 0.457 nan 8.150 nan 0.000 0.442 179 Q N -0.812 119.001 119.800 0.022 0.000 2.061 179 Q HA -0.264 4.076 4.340 -0.000 0.000 0.204 179 Q C 2.057 178.009 176.000 -0.080 0.000 0.984 179 Q CA 2.022 57.768 55.803 -0.095 0.000 0.846 179 Q CB -1.133 27.389 28.738 -0.361 0.000 0.902 179 Q HN 0.787 nan 8.270 nan 0.000 0.421 180 Y N 2.244 122.459 120.300 -0.142 0.000 2.081 180 Y HA -0.231 4.319 4.550 -0.000 0.000 0.280 180 Y C 2.116 177.971 175.900 -0.076 0.000 1.163 180 Y CA 2.220 60.259 58.100 -0.102 0.000 1.135 180 Y CB -0.208 38.187 38.460 -0.108 0.000 0.970 180 Y HN 0.147 nan 8.280 nan 0.000 0.498 181 E N -0.788 119.364 120.200 -0.079 0.000 2.153 181 E HA -0.211 4.139 4.350 -0.000 0.000 0.194 181 E C 1.939 178.502 176.600 -0.061 0.000 0.988 181 E CA 1.242 57.560 56.400 -0.136 0.000 0.811 181 E CB -0.393 29.358 29.700 0.086 0.000 0.746 181 E HN 0.606 nan 8.360 nan 0.000 0.466 182 F N 0.370 120.285 119.950 -0.059 0.000 2.206 182 F HA -0.151 4.376 4.527 -0.000 0.000 0.298 182 F C 2.102 177.887 175.800 -0.026 0.000 1.090 182 F CA 0.801 58.815 58.000 0.023 0.000 1.323 182 F CB -0.216 38.914 39.000 0.217 0.000 1.028 182 F HN 0.007 nan 8.300 nan 0.000 0.492 183 C N 0.753 119.965 119.300 -0.147 0.000 2.432 183 C HA -0.157 4.303 4.460 -0.000 0.000 0.277 183 C C 2.863 177.698 174.990 -0.259 0.000 1.249 183 C CA 0.981 59.864 59.018 -0.225 0.000 1.725 183 C CB -1.304 26.349 27.740 -0.144 0.000 2.028 183 C HN 0.507 nan 8.230 nan 0.000 0.477 184 L N 1.236 122.293 121.223 -0.275 0.000 2.012 184 L HA -0.218 4.122 4.340 -0.000 0.000 0.210 184 L C 2.671 179.400 176.870 -0.235 0.000 1.073 184 L CA 2.465 57.151 54.840 -0.256 0.000 0.748 184 L CB -0.899 40.956 42.059 -0.340 0.000 0.891 184 L HN 0.537 nan 8.230 nan 0.000 0.431 185 K N -0.445 119.801 120.400 -0.258 0.000 2.044 185 K HA -0.055 4.265 4.320 -0.000 0.000 0.204 185 K C 2.042 178.475 176.600 -0.278 0.000 1.049 185 K CA 1.487 57.645 56.287 -0.214 0.000 0.945 185 K CB -0.407 32.004 32.500 -0.148 0.000 0.724 185 K HN -0.063 nan 8.250 nan 0.000 0.440 186 S N 1.078 116.492 115.700 -0.478 0.000 2.381 186 S HA -0.287 4.183 4.470 -0.000 0.000 0.230 186 S C 2.166 176.618 174.600 -0.246 0.000 1.052 186 S CA 1.696 59.635 58.200 -0.436 0.000 1.068 186 S CB -0.746 62.097 63.200 -0.595 0.000 0.918 186 S HN 0.599 nan 8.310 nan 0.000 0.448 187 A N 1.988 124.672 122.820 -0.227 0.000 1.855 187 A HA -0.052 4.268 4.320 -0.000 0.000 0.215 187 A C 2.167 179.656 177.584 -0.158 0.000 1.191 187 A CA 1.535 53.466 52.037 -0.176 0.000 0.613 187 A CB -0.910 17.988 19.000 -0.169 0.000 0.829 187 A HN 0.665 nan 8.150 nan 0.000 0.442 188 I N -1.902 118.579 120.570 -0.149 0.000 2.264 188 I HA -0.252 3.918 4.170 -0.000 0.000 0.248 188 I C 2.046 178.099 176.117 -0.106 0.000 1.111 188 I CA 2.587 63.815 61.300 -0.120 0.000 1.382 188 I CB -0.733 37.206 38.000 -0.103 0.000 1.060 188 I HN 0.486 nan 8.210 nan 0.000 0.418 189 E N 1.552 121.684 120.200 -0.112 0.000 2.106 189 E HA -0.165 4.185 4.350 -0.000 0.000 0.192 189 E C 1.359 177.913 176.600 -0.078 0.000 0.984 189 E CA 1.160 57.508 56.400 -0.088 0.000 0.806 189 E CB 0.062 29.707 29.700 -0.092 0.000 0.750 189 E HN 0.601 nan 8.360 nan 0.000 0.458 190 N N 0.944 119.589 118.700 -0.091 0.000 2.251 190 N HA -0.003 4.737 4.740 -0.000 0.000 0.217 190 N C -0.910 174.545 175.510 -0.092 0.000 1.124 190 N CA 0.130 53.133 53.050 -0.078 0.000 0.843 190 N CB 0.613 39.056 38.487 -0.073 0.000 1.024 190 N HN 0.169 nan 8.380 nan 0.000 0.501 191 E N 0.489 120.629 120.200 -0.101 0.000 2.149 191 E HA -0.210 4.140 4.350 -0.000 0.000 0.191 191 E C -0.554 175.956 176.600 -0.149 0.000 1.384 191 E CA 0.035 56.366 56.400 -0.114 0.000 0.698 191 E CB -0.955 28.691 29.700 -0.090 0.000 1.086 191 E HN 0.404 nan 8.360 nan 0.000 0.338 192 A N 1.490 124.201 122.820 -0.181 0.000 2.413 192 A HA 0.546 4.866 4.320 -0.000 0.000 0.307 192 A C 0.060 177.437 177.584 -0.345 0.000 1.087 192 A CA -0.787 51.108 52.037 -0.235 0.000 0.750 192 A CB 1.057 19.949 19.000 -0.181 0.000 1.296 192 A HN 0.228 nan 8.150 nan 0.000 0.423 193 N N -0.182 118.196 118.700 -0.536 0.000 2.424 193 N HA 0.376 5.116 4.740 -0.000 0.000 0.257 193 N C -1.144 174.069 175.510 -0.494 0.000 1.250 193 N CA -0.194 52.349 53.050 -0.845 0.000 0.946 193 N CB 1.222 38.513 38.487 -1.994 0.000 1.175 193 N HN 0.497 nan 8.380 nan 0.000 0.477 194 L N 1.359 122.365 121.223 -0.361 0.000 2.362 194 L HA 0.465 4.805 4.340 -0.000 0.000 0.275 194 L C -1.423 175.497 176.870 0.083 0.000 0.998 194 L CA -0.722 54.056 54.840 -0.103 0.000 0.820 194 L CB 1.504 43.496 42.059 -0.112 0.000 1.270 194 L HN 0.383 nan 8.230 nan 0.000 0.415 195 L N 5.950 127.226 121.223 0.088 0.000 2.316 195 L HA 0.547 4.887 4.340 -0.000 0.000 0.280 195 L C -1.388 175.512 176.870 0.049 0.000 1.006 195 L CA -0.191 54.713 54.840 0.108 0.000 0.836 195 L CB 1.213 43.333 42.059 0.100 0.000 1.221 195 L HN 0.566 nan 8.230 nan 0.000 0.418 196 L N 5.673 126.891 121.223 -0.008 0.000 2.283 196 L HA 0.302 4.642 4.340 -0.000 0.000 0.287 196 L C -0.536 176.313 176.870 -0.034 0.000 1.073 196 L CA -0.296 54.545 54.840 0.001 0.000 0.822 196 L CB 0.156 42.176 42.059 -0.065 0.000 1.186 196 L HN 0.607 nan 8.230 nan 0.000 0.436 197 H N 3.868 122.842 119.070 -0.159 0.000 2.336 197 H HA 0.346 4.902 4.556 -0.000 0.000 0.230 197 H C -2.540 172.599 175.328 -0.315 0.000 1.426 197 H CA -2.609 53.286 56.048 -0.254 0.000 1.359 197 H CB 0.547 30.177 29.762 -0.221 0.000 1.555 197 H HN 0.260 nan 8.280 nan 0.000 0.512 198 P HA 0.070 nan 4.420 nan 0.000 0.271 198 P C -0.188 176.903 177.300 -0.349 0.000 1.216 198 P CA -0.235 62.600 63.100 -0.442 0.000 0.771 198 P CB 0.817 32.116 31.700 -0.668 0.000 0.864 199 Q N 1.328 120.976 119.800 -0.253 0.000 2.289 199 Q HA 0.122 4.462 4.340 -0.000 0.000 0.273 199 Q C 0.590 176.492 176.000 -0.164 0.000 1.029 199 Q CA 0.362 56.041 55.803 -0.206 0.000 0.896 199 Q CB 0.448 29.112 28.738 -0.123 0.000 1.182 199 Q HN 0.223 nan 8.270 nan 0.000 0.385 200 V N 2.218 122.003 119.914 -0.215 0.000 3.548 200 V HA 0.186 4.306 4.120 -0.000 0.000 0.279 200 V C 0.658 176.502 176.094 -0.417 0.000 1.446 200 V CA 0.426 62.556 62.300 -0.283 0.000 1.023 200 V CB 0.801 32.391 31.823 -0.387 0.000 0.820 200 V HN 0.924 nan 8.190 nan 0.000 0.438 201 G N 0.545 109.216 108.800 -0.215 0.000 2.225 201 G HA2 0.432 4.392 3.960 -0.000 0.000 0.245 201 G HA3 0.432 4.392 3.960 -0.000 0.000 0.245 201 G C 0.298 175.006 174.900 -0.320 0.000 1.249 201 G CA 1.047 46.083 45.100 -0.107 0.000 0.919 201 G HN 0.694 nan 8.290 nan 0.000 0.486 202 G N 1.085 109.500 108.800 -0.641 0.000 2.490 202 G HA2 0.476 4.436 3.960 -0.000 0.000 0.308 202 G HA3 0.476 4.436 3.960 -0.000 0.000 0.308 202 G C -1.923 172.491 174.900 -0.809 0.000 1.286 202 G CA -0.458 43.863 45.100 -1.297 0.000 0.825 202 G HN 0.749 nan 8.290 nan 0.000 0.479 203 D N -1.619 118.353 120.400 -0.713 0.000 2.490 203 D HA 0.481 5.121 4.640 -0.000 0.000 0.232 203 D C 1.642 177.957 176.300 0.024 0.000 1.053 203 D CA -0.388 53.502 54.000 -0.184 0.000 0.914 203 D CB 1.999 42.714 40.800 -0.141 0.000 1.431 203 D HN 0.518 nan 8.370 nan 0.000 0.483 204 I N -0.111 120.523 120.570 0.107 0.000 2.756 204 I HA 0.009 4.179 4.170 -0.000 0.000 0.262 204 I C 1.145 177.266 176.117 0.008 0.000 1.225 204 I CA 1.634 62.988 61.300 0.090 0.000 1.472 204 I CB 0.014 38.069 38.000 0.092 0.000 1.094 204 I HN 0.349 nan 8.210 nan 0.000 0.454 205 T N -1.545 113.020 114.554 0.017 0.000 2.969 205 T HA 0.213 4.563 4.350 -0.000 0.000 0.258 205 T C 1.338 176.060 174.700 0.038 0.000 0.962 205 T CA 0.330 62.442 62.100 0.020 0.000 0.903 205 T CB -0.071 68.815 68.868 0.031 0.000 1.177 205 T HN 0.563 nan 8.240 nan 0.000 0.511 206 E N 1.341 121.570 120.200 0.048 0.000 2.201 206 E HA 0.430 4.780 4.350 -0.000 0.000 0.193 206 E C 0.856 177.484 176.600 0.048 0.000 0.957 206 E CA 0.344 56.807 56.400 0.105 0.000 0.858 206 E CB 0.483 30.326 29.700 0.238 0.000 0.816 206 E HN 0.420 nan 8.360 nan 0.000 0.475 207 A N 2.390 125.126 122.820 -0.140 0.000 3.030 207 A HA 0.333 4.653 4.320 -0.000 0.000 0.335 207 A C -2.417 175.099 177.584 -0.112 0.000 1.089 207 A CA -1.149 50.767 52.037 -0.203 0.000 0.807 207 A CB 0.510 19.139 19.000 -0.618 0.000 1.099 207 A HN -0.062 nan 8.150 nan 0.000 0.474 208 P HA 0.278 nan 4.420 nan 0.000 0.266 208 P C 0.870 178.158 177.300 -0.019 0.000 1.561 208 P CA 0.427 63.511 63.100 -0.026 0.000 1.089 208 P CB 0.932 32.588 31.700 -0.074 0.000 1.534 209 A N -0.118 122.709 122.820 0.011 0.000 2.132 209 A HA -0.096 4.224 4.320 -0.000 0.000 0.213 209 A C 1.808 179.438 177.584 0.077 0.000 1.154 209 A CA 0.470 52.538 52.037 0.051 0.000 0.753 209 A CB -1.280 17.765 19.000 0.075 0.000 0.826 209 A HN 0.271 nan 8.150 nan 0.000 0.469 210 Y N -2.452 117.880 120.300 0.053 0.000 2.352 210 Y HA -0.058 4.492 4.550 -0.000 0.000 0.292 210 Y C 1.648 177.571 175.900 0.038 0.000 1.136 210 Y CA 0.759 58.850 58.100 -0.015 0.000 1.227 210 Y CB -0.952 37.421 38.460 -0.146 0.000 0.991 210 Y HN 0.155 nan 8.280 nan 0.000 0.545 211 F N 1.656 121.346 119.950 -0.434 0.000 2.065 211 F HA -0.110 4.417 4.527 -0.000 0.000 0.298 211 F C 2.770 178.609 175.800 0.065 0.000 1.112 211 F CA 1.964 59.890 58.000 -0.122 0.000 1.212 211 F CB -1.002 37.833 39.000 -0.276 0.000 0.975 211 F HN 0.228 nan 8.300 nan 0.000 0.476 212 G N -0.116 108.805 108.800 0.203 0.000 2.440 212 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.218 212 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.218 212 G C 1.749 176.742 174.900 0.155 0.000 1.154 212 G CA 0.748 45.942 45.100 0.158 0.000 0.767 212 G HN 0.331 nan 8.290 nan 0.000 0.552 213 L N 0.410 121.731 121.223 0.163 0.000 1.994 213 L HA -0.098 4.242 4.340 -0.000 0.000 0.208 213 L C 3.020 180.017 176.870 0.212 0.000 1.071 213 L CA 1.324 56.281 54.840 0.195 0.000 0.745 213 L CB -0.375 41.789 42.059 0.174 0.000 0.892 213 L HN 0.162 nan 8.230 nan 0.000 0.431 214 V N -0.136 119.841 119.914 0.105 0.000 2.332 214 V HA -0.317 3.803 4.120 -0.000 0.000 0.248 214 V C 2.622 178.708 176.094 -0.013 0.000 1.055 214 V CA 2.013 64.272 62.300 -0.067 0.000 1.038 214 V CB -0.684 30.888 31.823 -0.417 0.000 0.651 214 V HN 0.456 nan 8.190 nan 0.000 0.450 215 R N 0.484 121.027 120.500 0.072 0.000 2.115 215 R HA -0.136 4.204 4.340 -0.000 0.000 0.230 215 R C 2.544 178.885 176.300 0.068 0.000 1.111 215 R CA 1.500 57.652 56.100 0.086 0.000 0.976 215 R CB -0.277 30.111 30.300 0.148 0.000 0.870 215 R HN 0.700 nan 8.270 nan 0.000 0.445 216 S N -0.975 114.772 115.700 0.078 0.000 2.453 216 S HA -0.068 4.402 4.470 -0.000 0.000 0.231 216 S C 1.628 176.164 174.600 -0.107 0.000 1.005 216 S CA 0.592 58.788 58.200 -0.007 0.000 0.949 216 S CB -0.238 62.947 63.200 -0.024 0.000 0.774 216 S HN 0.233 nan 8.310 nan 0.000 0.510 217 F N 1.500 121.425 119.950 -0.042 0.000 2.270 217 F HA 0.352 4.879 4.527 -0.000 0.000 0.295 217 F C 2.068 177.834 175.800 -0.056 0.000 1.087 217 F CA 0.534 58.505 58.000 -0.048 0.000 1.365 217 F CB -0.322 38.639 39.000 -0.064 0.000 1.056 217 F HN 0.148 nan 8.300 nan 0.000 0.506 218 L N -0.595 120.676 121.223 0.080 0.000 2.131 218 L HA -0.213 4.127 4.340 -0.000 0.000 0.210 218 L C 2.611 179.481 176.870 0.000 0.000 1.092 218 L CA 1.038 55.891 54.840 0.021 0.000 0.759 218 L CB -0.881 41.174 42.059 -0.007 0.000 0.903 218 L HN 0.135 nan 8.230 nan 0.000 0.435 219 A N 0.474 123.282 122.820 -0.020 0.000 1.930 219 A HA -0.143 4.177 4.320 -0.000 0.000 0.217 219 A C 2.093 179.612 177.584 -0.109 0.000 1.175 219 A CA 1.763 53.772 52.037 -0.047 0.000 0.627 219 A CB -0.493 18.483 19.000 -0.039 0.000 0.815 219 A HN 0.576 nan 8.150 nan 0.000 0.443 220 I N -3.679 116.800 120.570 -0.152 0.000 4.018 220 I HA 0.291 4.461 4.170 -0.000 0.000 0.337 220 I C 1.741 177.792 176.117 -0.111 0.000 1.327 220 I CA 0.206 61.337 61.300 -0.281 0.000 1.100 220 I CB 0.046 37.807 38.000 -0.399 0.000 1.025 220 I HN 0.212 nan 8.210 nan 0.000 0.396 221 R N 1.499 122.016 120.500 0.029 0.000 2.127 221 R HA -0.190 4.150 4.340 -0.000 0.000 0.238 221 R C 1.047 177.443 176.300 0.161 0.000 1.134 221 R CA 2.356 58.556 56.100 0.168 0.000 0.975 221 R CB -0.224 30.131 30.300 0.091 0.000 0.865 221 R HN 0.396 nan 8.270 nan 0.000 0.447 222 D N -0.118 120.294 120.400 0.021 0.000 2.348 222 D HA -0.068 4.572 4.640 -0.000 0.000 0.216 222 D C 1.338 177.606 176.300 -0.052 0.000 0.970 222 D CA 0.553 54.554 54.000 0.001 0.000 0.889 222 D CB 0.053 40.834 40.800 -0.031 0.000 0.912 222 D HN 0.126 nan 8.370 nan 0.000 0.524 223 R N -0.226 120.157 120.500 -0.195 0.000 2.339 223 R HA 0.057 4.397 4.340 -0.000 0.000 0.199 223 R C -0.076 176.130 176.300 -0.157 0.000 1.018 223 R CA 0.184 56.058 56.100 -0.377 0.000 1.036 223 R CB -0.278 29.390 30.300 -1.054 0.000 0.899 223 R HN 0.217 nan 8.270 nan 0.000 0.473 224 F N 1.059 121.043 119.950 0.056 0.000 2.458 224 F HA 0.351 4.878 4.527 -0.000 0.000 0.330 224 F C -1.743 174.095 175.800 0.063 0.000 1.082 224 F CA -2.953 55.117 58.000 0.118 0.000 0.995 224 F CB 1.020 40.074 39.000 0.090 0.000 1.170 224 F HN -0.226 nan 8.300 nan 0.000 0.478 225 P HA 0.098 nan 4.420 nan 0.000 0.267 225 P C -0.194 177.204 177.300 0.163 0.000 1.209 225 P CA 0.216 63.405 63.100 0.149 0.000 0.763 225 P CB 0.920 32.677 31.700 0.095 0.000 0.816 226 A N 4.465 127.365 122.820 0.133 0.000 1.897 226 A HA -0.028 4.292 4.320 -0.000 0.000 0.215 226 A C 1.945 179.635 177.584 0.176 0.000 1.181 226 A CA 1.558 53.679 52.037 0.140 0.000 0.620 226 A CB -1.248 17.814 19.000 0.103 0.000 0.821 226 A HN 0.516 nan 8.150 nan 0.000 0.443 227 A N -1.834 121.075 122.820 0.149 0.000 2.255 227 A HA 0.220 4.540 4.320 -0.000 0.000 0.206 227 A C 1.557 179.257 177.584 0.193 0.000 1.193 227 A CA 1.634 53.781 52.037 0.182 0.000 0.794 227 A CB -0.460 18.605 19.000 0.110 0.000 0.794 227 A HN 0.334 nan 8.150 nan 0.000 0.481 228 T N -1.334 113.314 114.554 0.157 0.000 3.080 228 T HA 0.182 4.532 4.350 -0.000 0.000 0.280 228 T C -0.071 174.610 174.700 -0.030 0.000 0.926 228 T CA 0.522 62.577 62.100 -0.075 0.000 0.883 228 T CB 0.399 69.210 68.868 -0.096 0.000 1.194 228 T HN 0.302 nan 8.240 nan 0.000 0.541 229 T N 1.842 116.565 114.554 0.282 0.000 2.893 229 T HA 0.641 4.991 4.350 -0.000 0.000 0.293 229 T C -1.289 173.651 174.700 0.400 0.000 1.027 229 T CA -0.723 61.529 62.100 0.253 0.000 0.988 229 T CB 2.551 71.463 68.868 0.072 0.000 1.043 229 T HN -0.148 nan 8.240 nan 0.000 0.461 230 Q N 1.462 121.459 119.800 0.328 0.000 2.397 230 Q HA 0.602 4.942 4.340 -0.000 0.000 0.275 230 Q C -1.614 174.394 176.000 0.014 0.000 1.090 230 Q CA -0.862 55.013 55.803 0.120 0.000 0.809 230 Q CB 3.122 31.897 28.738 0.061 0.000 1.362 230 Q HN 0.574 nan 8.270 nan 0.000 0.431 231 L N 0.737 121.936 121.223 -0.039 0.000 2.341 231 L HA 0.746 5.086 4.340 -0.000 0.000 0.278 231 L C -0.966 175.850 176.870 -0.090 0.000 1.005 231 L CA 0.160 54.958 54.840 -0.070 0.000 0.818 231 L CB 1.983 44.006 42.059 -0.060 0.000 1.259 231 L HN 0.530 nan 8.230 nan 0.000 0.418 232 S N 3.694 119.344 115.700 -0.083 0.000 2.565 232 S HA 0.701 5.171 4.470 -0.000 0.000 0.269 232 S C -1.392 173.178 174.600 -0.050 0.000 1.153 232 S CA -0.697 57.465 58.200 -0.064 0.000 0.835 232 S CB 0.999 64.157 63.200 -0.070 0.000 1.122 232 S HN 0.613 nan 8.310 nan 0.000 0.462 233 L N 2.987 124.133 121.223 -0.129 0.000 2.325 233 L HA 0.586 4.926 4.340 -0.000 0.000 0.279 233 L C -0.377 176.268 176.870 -0.375 0.000 1.054 233 L CA -0.717 53.970 54.840 -0.255 0.000 0.804 233 L CB 1.214 43.127 42.059 -0.244 0.000 1.200 233 L HN 0.475 nan 8.230 nan 0.000 0.436 234 L N 5.343 126.226 121.223 -0.567 0.000 2.301 234 L HA 0.440 4.780 4.340 -0.000 0.000 0.278 234 L C -2.352 174.306 176.870 -0.353 0.000 1.022 234 L CA -1.584 52.855 54.840 -0.668 0.000 0.854 234 L CB 1.725 43.196 42.059 -0.980 0.000 1.226 234 L HN 0.322 nan 8.230 nan 0.000 0.429 235 P HA 0.339 nan 4.420 nan 0.000 0.271 235 P C -0.822 176.447 177.300 -0.052 0.000 1.380 235 P CA 0.097 63.104 63.100 -0.154 0.000 0.992 235 P CB 0.774 32.424 31.700 -0.082 0.000 1.230 236 A N 4.712 127.513 122.820 -0.032 0.000 2.549 236 A HA 0.667 4.987 4.320 -0.000 0.000 0.291 236 A C -3.224 174.424 177.584 0.108 0.000 1.034 236 A CA -1.191 50.883 52.037 0.062 0.000 0.655 236 A CB 0.570 19.593 19.000 0.038 0.000 1.299 236 A HN 0.147 nan 8.150 nan 0.000 0.427 237 P HA 0.575 nan 4.420 nan 0.000 0.284 237 P C -2.764 174.597 177.300 0.103 0.000 1.258 237 P CA -1.627 61.601 63.100 0.214 0.000 0.824 237 P CB -0.046 31.791 31.700 0.227 0.000 1.038 238 P HA 0.142 nan 4.420 nan 0.000 0.266 238 P C -2.131 175.198 177.300 0.050 0.000 1.195 238 P CA -0.406 62.717 63.100 0.038 0.000 0.768 238 P CB -0.992 30.730 31.700 0.036 0.000 0.838 239 P HA 0.326 nan 4.420 nan 0.000 0.302 239 P C -0.452 176.865 177.300 0.029 0.000 1.307 239 P CA -0.212 62.908 63.100 0.034 0.000 0.754 239 P CB 0.250 31.965 31.700 0.026 0.000 1.298 240 E N -0.904 119.311 120.200 0.026 0.000 2.175 240 E HA 0.577 4.927 4.350 -0.000 0.000 0.278 240 E C -0.103 176.507 176.600 0.016 0.000 0.969 240 E CA -0.945 55.469 56.400 0.024 0.000 0.796 240 E CB 0.517 30.233 29.700 0.027 0.000 1.104 240 E HN 0.667 nan 8.360 nan 0.000 0.395 241 A N 2.036 124.864 122.820 0.014 0.000 2.548 241 A HA 0.525 4.845 4.320 -0.000 0.000 0.247 241 A C 0.623 178.212 177.584 0.010 0.000 1.067 241 A CA 0.838 52.880 52.037 0.007 0.000 0.757 241 A CB -0.522 18.484 19.000 0.009 0.000 0.996 241 A HN 1.917 nan 8.150 nan 0.000 0.504 242 S N 1.265 116.968 115.700 0.006 0.000 2.580 242 S HA 0.501 4.971 4.470 -0.000 0.000 0.281 242 S C 0.826 175.429 174.600 0.005 0.000 1.129 242 S CA 0.141 58.346 58.200 0.009 0.000 0.862 242 S CB 0.614 63.822 63.200 0.012 0.000 1.090 242 S HN 1.725 nan 8.310 nan 0.000 0.451 243 G N 2.158 110.963 108.800 0.009 0.000 2.503 243 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.221 243 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.221 243 G C 1.262 176.169 174.900 0.011 0.000 1.131 243 G CA 1.193 46.299 45.100 0.010 0.000 0.756 243 G HN 0.829 nan 8.290 nan 0.000 0.572 244 R N 0.340 120.848 120.500 0.013 0.000 2.088 244 R HA -0.018 4.322 4.340 -0.000 0.000 0.232 244 R C 3.120 179.402 176.300 -0.029 0.000 1.136 244 R CA 1.621 57.721 56.100 -0.000 0.000 0.926 244 R CB -0.605 29.695 30.300 -0.000 0.000 0.837 244 R HN 0.303 nan 8.270 nan 0.000 0.429 245 A N 1.165 123.974 122.820 -0.019 0.000 1.915 245 A HA -0.259 4.061 4.320 -0.000 0.000 0.220 245 A C 2.170 179.734 177.584 -0.033 0.000 1.198 245 A CA 1.769 53.793 52.037 -0.022 0.000 0.647 245 A CB -0.958 18.038 19.000 -0.006 0.000 0.825 245 A HN 0.432 nan 8.150 nan 0.000 0.456 246 L N -0.816 120.390 121.223 -0.027 0.000 2.042 246 L HA -0.164 4.176 4.340 -0.000 0.000 0.210 246 L C 2.471 179.316 176.870 -0.043 0.000 1.076 246 L CA 1.861 56.682 54.840 -0.032 0.000 0.749 246 L CB -0.386 41.660 42.059 -0.022 0.000 0.893 246 L HN 0.478 nan 8.230 nan 0.000 0.432 247 L N -0.757 120.443 121.223 -0.039 0.000 2.201 247 L HA -0.242 4.098 4.340 -0.000 0.000 0.212 247 L C 2.465 179.260 176.870 -0.125 0.000 1.105 247 L CA 0.611 55.424 54.840 -0.043 0.000 0.775 247 L CB -0.218 41.873 42.059 0.053 0.000 0.913 247 L HN 0.357 nan 8.230 nan 0.000 0.440 248 L N -0.410 120.719 121.223 -0.157 0.000 2.044 248 L HA -0.175 4.165 4.340 -0.000 0.000 0.205 248 L C 2.809 179.621 176.870 -0.096 0.000 1.075 248 L CA 1.240 55.942 54.840 -0.230 0.000 0.747 248 L CB -0.127 41.831 42.059 -0.168 0.000 0.903 248 L HN 0.212 nan 8.230 nan 0.000 0.435 249 R N -0.343 120.132 120.500 -0.042 0.000 2.096 249 R HA -0.161 4.179 4.340 -0.000 0.000 0.235 249 R C 2.303 178.603 176.300 -0.001 0.000 1.127 249 R CA 1.334 57.433 56.100 -0.001 0.000 0.968 249 R CB -0.456 29.830 30.300 -0.024 0.000 0.861 249 R HN 0.435 nan 8.270 nan 0.000 0.440 250 A N 1.183 123.978 122.820 -0.041 0.000 1.940 250 A HA -0.163 4.157 4.320 -0.000 0.000 0.219 250 A C 2.110 179.656 177.584 -0.063 0.000 1.176 250 A CA 1.303 53.313 52.037 -0.045 0.000 0.631 250 A CB -0.483 18.475 19.000 -0.071 0.000 0.814 250 A HN 0.195 nan 8.150 nan 0.000 0.446 251 I N -0.113 120.378 120.570 -0.132 0.000 2.286 251 I HA -0.177 3.993 4.170 -0.000 0.000 0.245 251 I C 2.572 178.702 176.117 0.022 0.000 1.104 251 I CA 1.574 62.757 61.300 -0.196 0.000 1.397 251 I CB -0.474 37.282 38.000 -0.405 0.000 1.072 251 I HN 0.357 nan 8.210 nan 0.000 0.417 252 V N 0.358 120.343 119.914 0.118 0.000 2.515 252 V HA -0.119 4.001 4.120 -0.000 0.000 0.250 252 V C 2.583 178.896 176.094 0.365 0.000 1.058 252 V CA 1.613 64.070 62.300 0.260 0.000 1.064 252 V CB -0.712 31.288 31.823 0.295 0.000 0.675 252 V HN 0.298 nan 8.190 nan 0.000 0.461 253 A N 0.781 123.740 122.820 0.232 0.000 1.908 253 A HA -0.230 4.090 4.320 -0.000 0.000 0.218 253 A C 2.520 180.236 177.584 0.220 0.000 1.181 253 A CA 2.164 54.337 52.037 0.228 0.000 0.627 253 A CB -0.774 18.294 19.000 0.114 0.000 0.818 253 A HN 0.637 nan 8.150 nan 0.000 0.445 254 R N -0.464 120.119 120.500 0.138 0.000 2.092 254 R HA -0.125 4.215 4.340 -0.000 0.000 0.231 254 R C 1.506 177.901 176.300 0.159 0.000 1.119 254 R CA 1.537 57.711 56.100 0.123 0.000 0.970 254 R CB -0.299 30.040 30.300 0.064 0.000 0.864 254 R HN 0.497 nan 8.270 nan 0.000 0.440 255 N N -0.081 118.715 118.700 0.159 0.000 2.381 255 N HA -0.123 4.617 4.740 -0.000 0.000 0.182 255 N C 1.116 176.619 175.510 -0.012 0.000 1.025 255 N CA 0.968 54.065 53.050 0.078 0.000 0.888 255 N CB -0.123 38.391 38.487 0.045 0.000 0.965 255 N HN 0.192 nan 8.380 nan 0.000 0.438 256 F N -0.228 119.795 119.950 0.123 0.000 2.780 256 F HA 0.190 4.717 4.527 -0.000 0.000 0.299 256 F C 1.869 177.798 175.800 0.215 0.000 1.146 256 F CA 0.599 58.680 58.000 0.135 0.000 1.428 256 F CB 0.222 39.313 39.000 0.153 0.000 1.115 256 F HN 0.121 nan 8.300 nan 0.000 0.583 257 G N -1.178 107.824 108.800 0.337 0.000 2.211 257 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.201 257 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.201 257 G C -0.027 174.977 174.900 0.173 0.000 0.997 257 G CA -0.262 45.025 45.100 0.311 0.000 0.652 257 G HN 0.204 nan 8.290 nan 0.000 0.500 258 C N 2.206 121.607 119.300 0.169 0.000 2.452 258 C HA 0.657 5.117 4.460 -0.000 0.000 0.379 258 C C 1.850 176.870 174.990 0.049 0.000 1.275 258 C CA 0.398 59.453 59.018 0.061 0.000 2.056 258 C CB 1.045 28.827 27.740 0.071 0.000 2.506 258 C HN 0.844 nan 8.230 nan 0.000 0.560 259 S N 0.997 116.702 115.700 0.009 0.000 2.539 259 S HA 0.413 4.883 4.470 -0.000 0.000 0.221 259 S C -0.207 174.394 174.600 0.003 0.000 0.987 259 S CA -0.063 58.143 58.200 0.010 0.000 0.929 259 S CB -0.320 62.879 63.200 -0.001 0.000 0.832 259 S HN 0.617 nan 8.310 nan 0.000 0.492 260 L N 1.270 122.496 121.223 0.004 0.000 2.409 260 L HA 0.656 4.996 4.340 -0.000 0.000 0.262 260 L C -0.860 176.031 176.870 0.034 0.000 0.992 260 L CA -0.507 54.341 54.840 0.014 0.000 0.817 260 L CB 2.339 44.400 42.059 0.003 0.000 1.350 260 L HN 0.166 nan 8.230 nan 0.000 0.411 261 L N 2.925 124.175 121.223 0.045 0.000 2.436 261 L HA 0.595 4.935 4.340 -0.000 0.000 0.268 261 L C -1.185 175.732 176.870 0.079 0.000 0.974 261 L CA -0.438 54.432 54.840 0.050 0.000 0.826 261 L CB 2.134 44.204 42.059 0.017 0.000 1.291 261 L HN 0.568 nan 8.230 nan 0.000 0.406 262 I N 3.402 124.039 120.570 0.111 0.000 2.440 262 I HA 0.488 4.658 4.170 -0.000 0.000 0.294 262 I C 0.223 176.320 176.117 -0.035 0.000 0.995 262 I CA -0.299 61.105 61.300 0.173 0.000 1.306 262 I CB 1.857 40.139 38.000 0.470 0.000 1.407 262 I HN 0.668 nan 8.210 nan 0.000 0.501 263 A N 4.688 127.510 122.820 0.004 0.000 2.357 263 A HA 0.888 5.208 4.320 -0.000 0.000 0.295 263 A C -0.221 177.348 177.584 -0.026 0.000 1.121 263 A CA -0.249 51.740 52.037 -0.081 0.000 0.742 263 A CB 1.156 20.135 19.000 -0.035 0.000 1.181 263 A HN 0.936 nan 8.150 nan 0.000 0.454 285 V N 2.790 122.713 119.914 0.014 0.000 6.263 285 V HA -0.138 3.982 4.120 -0.000 0.000 0.332 285 V C -0.229 175.870 176.094 0.007 0.000 0.485 285 V CA 1.300 63.607 62.300 0.012 0.000 0.671 285 V CB -1.740 30.095 31.823 0.019 0.000 0.280 285 V HN 1.384 nan 8.190 nan 0.000 1.039 286 D N 2.988 123.391 120.400 0.006 0.000 2.586 286 D HA 0.084 4.724 4.640 -0.000 0.000 0.234 286 D C -0.582 175.718 176.300 0.000 0.000 1.132 286 D CA -0.477 53.526 54.000 0.004 0.000 0.860 286 D CB 1.201 42.004 40.800 0.006 0.000 1.159 286 D HN 0.300 nan 8.370 nan 0.000 0.490 287 P HA -0.185 nan 4.420 nan 0.000 0.218 287 P C 1.253 178.548 177.300 -0.010 0.000 1.146 287 P CA 1.082 64.180 63.100 -0.004 0.000 0.820 287 P CB 0.138 31.836 31.700 -0.002 0.000 0.778 288 S N -1.078 114.618 115.700 -0.007 0.000 2.447 288 S HA -0.086 4.384 4.470 -0.000 0.000 0.233 288 S C 1.600 176.187 174.600 -0.021 0.000 1.006 288 S CA 1.372 59.566 58.200 -0.010 0.000 0.957 288 S CB -0.813 62.387 63.200 0.001 0.000 0.773 288 S HN 0.051 nan 8.310 nan 0.000 0.507 289 V N -1.208 118.695 119.914 -0.018 0.000 3.085 289 V HA 0.494 4.614 4.120 -0.000 0.000 0.245 289 V C 2.404 178.471 176.094 -0.046 0.000 1.114 289 V CA 0.807 63.091 62.300 -0.027 0.000 1.108 289 V CB -0.980 30.836 31.823 -0.011 0.000 0.798 289 V HN 0.351 nan 8.190 nan 0.000 0.471 290 A N 0.929 123.730 122.820 -0.031 0.000 1.933 290 A HA -0.064 4.256 4.320 -0.000 0.000 0.218 290 A C 2.307 179.862 177.584 -0.049 0.000 1.175 290 A CA 2.554 54.572 52.037 -0.032 0.000 0.628 290 A CB -1.036 17.955 19.000 -0.014 0.000 0.814 290 A HN 0.843 nan 8.150 nan 0.000 0.444 291 E N -0.666 119.505 120.200 -0.048 0.000 2.048 291 E HA -0.295 4.055 4.350 -0.000 0.000 0.202 291 E C 2.298 178.834 176.600 -0.108 0.000 1.021 291 E CA 3.129 59.492 56.400 -0.062 0.000 0.825 291 E CB -1.319 28.351 29.700 -0.052 0.000 0.756 291 E HN 0.892 nan 8.360 nan 0.000 0.454 292 R N -0.029 120.380 120.500 -0.152 0.000 2.189 292 R HA 0.524 4.864 4.340 -0.000 0.000 0.218 292 R C 2.647 178.758 176.300 -0.315 0.000 1.074 292 R CA 1.825 57.746 56.100 -0.298 0.000 0.991 292 R CB -0.919 29.130 30.300 -0.418 0.000 0.883 292 R HN 0.823 nan 8.270 nan 0.000 0.457 293 A N 0.220 122.927 122.820 -0.189 0.000 1.911 293 A HA 0.241 4.561 4.320 -0.000 0.000 0.212 293 A C 2.469 179.991 177.584 -0.103 0.000 1.189 293 A CA 1.368 53.316 52.037 -0.148 0.000 0.639 293 A CB -0.601 18.343 19.000 -0.094 0.000 0.839 293 A HN 0.639 nan 8.150 nan 0.000 0.449 294 E N -0.107 120.046 120.200 -0.077 0.000 2.267 294 E HA -0.176 4.174 4.350 -0.000 0.000 0.197 294 E C 2.066 178.632 176.600 -0.057 0.000 0.998 294 E CA 2.505 58.874 56.400 -0.050 0.000 0.830 294 E CB -1.377 28.300 29.700 -0.038 0.000 0.751 294 E HN 0.850 nan 8.360 nan 0.000 0.491 295 K N 1.161 121.503 120.400 -0.096 0.000 1.978 295 K HA 0.079 4.399 4.320 -0.000 0.000 0.214 295 K C 1.982 178.551 176.600 -0.051 0.000 1.049 295 K CA 1.473 57.701 56.287 -0.098 0.000 0.939 295 K CB -1.041 31.340 32.500 -0.199 0.000 0.721 295 K HN 1.054 nan 8.250 nan 0.000 0.441 296 I N -1.278 119.246 120.570 -0.077 0.000 3.425 296 I HA 0.378 4.548 4.170 -0.000 0.000 0.298 296 I C 0.975 177.100 176.117 0.013 0.000 1.278 296 I CA 0.819 62.128 61.300 0.015 0.000 1.475 296 I CB -1.360 36.610 38.000 -0.050 0.000 1.283 296 I HN 0.562 nan 8.210 nan 0.000 0.540 297 G N 2.493 111.303 108.800 0.018 0.000 2.200 297 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.267 297 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.267 297 G C 0.174 175.080 174.900 0.010 0.000 0.993 297 G CA 0.532 45.647 45.100 0.024 0.000 0.701 297 G HN 0.712 nan 8.290 nan 0.000 0.524 298 V N 0.660 120.566 119.914 -0.013 0.000 2.407 298 V HA 0.658 4.778 4.120 -0.000 0.000 0.291 298 V C 0.586 176.672 176.094 -0.014 0.000 1.018 298 V CA -1.158 61.136 62.300 -0.010 0.000 0.842 298 V CB 1.284 33.099 31.823 -0.014 0.000 0.996 298 V HN 0.355 nan 8.190 nan 0.000 0.426 299 R N 6.861 127.358 120.500 -0.004 0.000 2.267 299 R HA 0.446 4.786 4.340 -0.000 0.000 0.319 299 R C -0.595 175.713 176.300 0.012 0.000 1.067 299 R CA -0.458 55.642 56.100 -0.000 0.000 0.936 299 R CB 0.772 31.073 30.300 0.002 0.000 1.006 299 R HN 0.829 nan 8.270 nan 0.000 0.452 300 L N 5.637 126.868 121.223 0.014 0.000 2.298 300 L HA 0.522 4.862 4.340 -0.000 0.000 0.284 300 L C 0.088 176.993 176.870 0.059 0.000 1.013 300 L CA -0.870 53.989 54.840 0.032 0.000 0.824 300 L CB 1.169 43.236 42.059 0.013 0.000 1.221 300 L HN 0.564 nan 8.230 nan 0.000 0.418 301 I N 1.730 122.360 120.570 0.101 0.000 2.472 301 I HA 0.746 4.916 4.170 -0.000 0.000 0.290 301 I C 0.009 176.246 176.117 0.201 0.000 1.016 301 I CA -0.257 61.136 61.300 0.155 0.000 1.348 301 I CB 1.758 39.877 38.000 0.200 0.000 1.417 301 I HN 0.834 nan 8.210 nan 0.000 0.521 302 A N 5.749 128.681 122.820 0.186 0.000 2.295 302 A HA 0.405 4.725 4.320 -0.000 0.000 0.318 302 A C -1.158 176.526 177.584 0.167 0.000 1.134 302 A CA -0.472 51.657 52.037 0.152 0.000 0.827 302 A CB 0.585 19.632 19.000 0.079 0.000 1.136 302 A HN 0.769 nan 8.150 nan 0.000 0.493 303 Y N 3.633 123.899 120.300 -0.056 0.000 2.383 303 Y HA 0.512 5.062 4.550 -0.000 0.000 0.344 303 Y C -2.078 173.673 175.900 -0.247 0.000 0.986 303 Y CA -2.428 55.501 58.100 -0.285 0.000 1.175 303 Y CB 0.594 38.992 38.460 -0.103 0.000 1.152 303 Y HN 0.545 nan 8.280 nan 0.000 0.511 304 P HA 0.392 nan 4.420 nan 0.000 0.281 304 P C -0.987 175.944 177.300 -0.615 0.000 1.281 304 P CA -0.685 62.114 63.100 -0.501 0.000 0.811 304 P CB 0.497 32.000 31.700 -0.328 0.000 1.154 305 R N 1.174 121.486 120.500 -0.314 0.000 2.357 305 R HA 0.231 4.571 4.340 -0.000 0.000 0.330 305 R C 0.582 176.761 176.300 -0.201 0.000 1.102 305 R CA -0.109 55.855 56.100 -0.227 0.000 0.974 305 R CB -1.446 28.794 30.300 -0.100 0.000 1.002 305 R HN 0.370 nan 8.270 nan 0.000 0.463 306 M N 2.602 122.064 119.600 -0.229 0.000 2.228 306 M HA 0.282 4.762 4.480 -0.000 0.000 0.351 306 M C 0.294 176.641 176.300 0.078 0.000 1.233 306 M CA -0.555 54.719 55.300 -0.044 0.000 1.129 306 M CB 0.802 33.410 32.600 0.013 0.000 1.604 306 M HN 0.564 nan 8.290 nan 0.000 0.457 307 V N 1.995 121.963 119.914 0.090 0.000 2.914 307 V HA 0.539 4.659 4.120 -0.000 0.000 0.314 307 V C -1.255 174.825 176.094 -0.024 0.000 1.084 307 V CA -1.108 61.222 62.300 0.050 0.000 0.963 307 V CB 2.025 33.823 31.823 -0.041 0.000 1.025 307 V HN 0.723 nan 8.190 nan 0.000 0.432 308 Y N 3.255 123.323 120.300 -0.387 0.000 2.365 308 Y HA 0.645 5.195 4.550 -0.000 0.000 0.340 308 Y C -0.166 175.408 175.900 -0.544 0.000 1.016 308 Y CA -0.881 56.743 58.100 -0.793 0.000 1.196 308 Y CB 1.274 38.971 38.460 -1.272 0.000 1.167 308 Y HN 0.579 nan 8.280 nan 0.000 0.509 309 V N 8.079 127.422 119.914 -0.952 0.000 2.277 309 V HA 0.108 4.228 4.120 -0.000 0.000 0.269 309 V C 1.101 176.623 176.094 -0.954 0.000 1.036 309 V CA -0.438 61.429 62.300 -0.721 0.000 0.821 309 V CB 0.811 32.404 31.823 -0.384 0.000 1.052 309 V HN 0.943 nan 8.190 nan 0.000 0.462 310 E N 2.767 122.417 120.200 -0.917 0.000 2.097 310 E HA -0.263 4.087 4.350 -0.000 0.000 0.196 310 E C 1.101 177.481 176.600 -0.367 0.000 1.000 310 E CA 2.033 58.034 56.400 -0.666 0.000 0.804 310 E CB 0.198 29.689 29.700 -0.349 0.000 0.740 310 E HN 0.856 nan 8.360 nan 0.000 0.454 311 D N -0.925 119.300 120.400 -0.291 0.000 2.384 311 D HA -0.069 4.571 4.640 -0.000 0.000 0.222 311 D C 1.283 177.486 176.300 -0.163 0.000 0.976 311 D CA 0.706 54.598 54.000 -0.180 0.000 0.915 311 D CB 0.143 40.854 40.800 -0.148 0.000 0.896 311 D HN 0.068 nan 8.370 nan 0.000 0.523 312 R N -1.072 119.295 120.500 -0.222 0.000 2.541 312 R HA 0.384 4.724 4.340 -0.000 0.000 0.332 312 R C 0.208 176.434 176.300 -0.124 0.000 0.951 312 R CA 0.472 56.481 56.100 -0.152 0.000 1.136 312 R CB 0.929 31.146 30.300 -0.138 0.000 1.449 312 R HN -0.003 nan 8.270 nan 0.000 0.531 313 A N 2.222 124.929 122.820 -0.188 0.000 2.822 313 A HA -0.244 4.076 4.320 -0.000 0.000 0.287 313 A C -0.133 177.517 177.584 0.109 0.000 1.479 313 A CA 1.839 53.874 52.037 -0.003 0.000 0.779 313 A CB -1.763 17.283 19.000 0.077 0.000 1.022 313 A HN 0.562 nan 8.150 nan 0.000 0.532 314 E N -1.118 119.053 120.200 -0.048 0.000 2.401 314 E HA 0.559 4.909 4.350 -0.000 0.000 0.280 314 E C -0.838 175.780 176.600 0.030 0.000 1.039 314 E CA -1.160 55.320 56.400 0.133 0.000 0.814 314 E CB 0.655 30.415 29.700 0.099 0.000 1.275 314 E HN 0.471 nan 8.360 nan 0.000 0.448 315 H N 0.843 120.016 119.070 0.172 0.000 2.610 315 H HA 0.425 4.981 4.556 -0.000 0.000 0.336 315 H C -0.331 175.033 175.328 0.061 0.000 1.087 315 H CA -0.054 56.069 56.048 0.124 0.000 1.405 315 H CB 1.115 30.973 29.762 0.161 0.000 1.460 315 H HN 0.246 nan 8.280 nan 0.000 0.538 316 L N 3.774 125.067 121.223 0.117 0.000 2.371 316 L HA 0.337 4.677 4.340 -0.000 0.000 0.262 316 L C -2.417 174.489 176.870 0.060 0.000 1.006 316 L CA -2.419 52.468 54.840 0.078 0.000 0.818 316 L CB 2.398 44.462 42.059 0.009 0.000 1.354 316 L HN 0.367 nan 8.230 nan 0.000 0.415 317 P HA -0.044 nan 4.420 nan 0.000 0.265 317 P C 0.343 177.629 177.300 -0.022 0.000 1.193 317 P CA 0.169 63.266 63.100 -0.006 0.000 0.765 317 P CB 0.584 32.301 31.700 0.029 0.000 0.823 318 E N 3.728 123.900 120.200 -0.047 0.000 2.171 318 E HA -0.277 4.073 4.350 -0.000 0.000 0.197 318 E C 1.376 177.955 176.600 -0.036 0.000 0.997 318 E CA 1.556 57.931 56.400 -0.043 0.000 0.810 318 E CB -0.243 29.430 29.700 -0.046 0.000 0.738 318 E HN 0.493 nan 8.360 nan 0.000 0.467 319 A N 0.206 123.008 122.820 -0.030 0.000 2.208 319 A HA -0.031 4.289 4.320 -0.000 0.000 0.209 319 A C 1.493 179.066 177.584 -0.017 0.000 1.161 319 A CA 0.542 52.566 52.037 -0.022 0.000 0.782 319 A CB -0.030 18.960 19.000 -0.018 0.000 0.816 319 A HN 0.295 nan 8.150 nan 0.000 0.477 320 E N -0.196 119.996 120.200 -0.014 0.000 2.460 320 E HA 0.275 4.625 4.350 -0.000 0.000 0.200 320 E C 0.690 177.274 176.600 -0.026 0.000 1.011 320 E CA 0.066 56.459 56.400 -0.012 0.000 0.912 320 E CB 0.261 29.963 29.700 0.005 0.000 0.953 320 E HN 0.551 nan 8.360 nan 0.000 0.494 321 A N 3.226 126.023 122.820 -0.038 0.000 2.540 321 A HA 0.172 4.492 4.320 -0.000 0.000 0.239 321 A C -2.133 175.418 177.584 -0.056 0.000 1.061 321 A CA -0.949 51.053 52.037 -0.059 0.000 0.758 321 A CB -0.329 18.626 19.000 -0.075 0.000 0.991 321 A HN -0.092 nan 8.150 nan 0.000 0.502 322 P HA 0.066 nan 4.420 nan 0.000 0.268 322 P C -0.163 177.104 177.300 -0.055 0.000 1.208 322 P CA -0.218 62.848 63.100 -0.057 0.000 0.777 322 P CB 0.369 32.030 31.700 -0.065 0.000 0.875 323 Q N 1.081 120.855 119.800 -0.045 0.000 2.361 323 Q HA 0.175 4.515 4.340 -0.000 0.000 0.276 323 Q C 1.458 177.430 176.000 -0.046 0.000 1.022 323 Q CA 1.506 57.285 55.803 -0.041 0.000 0.898 323 Q CB 0.036 28.755 28.738 -0.032 0.000 1.246 323 Q HN 0.859 nan 8.270 nan 0.000 0.410 324 G N 1.922 110.695 108.800 -0.046 0.000 2.203 324 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.263 324 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.263 324 G C 0.353 175.218 174.900 -0.059 0.000 1.012 324 G CA 0.484 45.556 45.100 -0.046 0.000 0.749 324 G HN 0.866 nan 8.290 nan 0.000 0.512 325 A N -0.517 122.259 122.820 -0.074 0.000 2.313 325 A HA 0.716 5.036 4.320 -0.000 0.000 0.261 325 A C 0.847 178.368 177.584 -0.104 0.000 1.090 325 A CA 0.434 52.412 52.037 -0.099 0.000 0.807 325 A CB 0.292 19.217 19.000 -0.125 0.000 1.055 325 A HN 1.127 nan 8.150 nan 0.000 0.492 326 R N 1.524 121.951 120.500 -0.123 0.000 2.216 326 R HA 0.478 4.818 4.340 -0.000 0.000 0.332 326 R C -1.160 175.033 176.300 -0.179 0.000 1.056 326 R CA -0.152 55.875 56.100 -0.122 0.000 0.901 326 R CB -0.120 30.117 30.300 -0.105 0.000 1.039 326 R HN 0.618 nan 8.270 nan 0.000 0.456 327 L N 5.346 126.478 121.223 -0.152 0.000 2.360 327 L HA 0.517 4.857 4.340 -0.000 0.000 0.271 327 L C -0.258 176.507 176.870 -0.174 0.000 1.057 327 L CA -1.036 53.694 54.840 -0.184 0.000 0.803 327 L CB 1.306 43.293 42.059 -0.120 0.000 1.207 327 L HN 0.567 nan 8.230 nan 0.000 0.445 328 L N 1.626 122.703 121.223 -0.242 0.000 2.431 328 L HA 0.653 4.993 4.340 -0.000 0.000 0.266 328 L C -0.366 176.424 176.870 -0.132 0.000 0.978 328 L CA -0.361 54.340 54.840 -0.233 0.000 0.822 328 L CB 2.476 44.230 42.059 -0.509 0.000 1.310 328 L HN 0.747 nan 8.230 nan 0.000 0.409 329 T N 0.300 114.938 114.554 0.139 0.000 2.812 329 T HA 0.702 5.052 4.350 -0.000 0.000 0.294 329 T C -1.284 173.672 174.700 0.426 0.000 1.159 329 T CA -0.824 61.455 62.100 0.298 0.000 1.008 329 T CB 2.314 71.286 68.868 0.173 0.000 1.289 329 T HN 0.437 nan 8.240 nan 0.000 0.514 330 L N 2.767 124.212 121.223 0.371 0.000 2.661 330 L HA 0.451 4.791 4.340 -0.000 0.000 0.263 330 L C 0.204 177.167 176.870 0.156 0.000 0.956 330 L CA -0.447 54.505 54.840 0.187 0.000 0.918 330 L CB 1.862 43.901 42.059 -0.033 0.000 1.280 330 L HN 1.218 nan 8.230 nan 0.000 0.416 331 S N 2.424 118.190 115.700 0.111 0.000 2.596 331 S HA 0.296 4.766 4.470 -0.000 0.000 0.260 331 S C 1.242 175.916 174.600 0.125 0.000 1.336 331 S CA 0.246 58.518 58.200 0.120 0.000 0.993 331 S CB 1.450 64.705 63.200 0.092 0.000 0.923 331 S HN 0.791 nan 8.310 nan 0.000 0.567 332 G N 0.164 109.055 108.800 0.151 0.000 2.403 332 G HA2 0.058 4.018 3.960 -0.000 0.000 0.216 332 G HA3 0.058 4.018 3.960 -0.000 0.000 0.216 332 G C 1.541 176.529 174.900 0.146 0.000 1.154 332 G CA 0.836 46.047 45.100 0.185 0.000 0.784 332 G HN 1.016 nan 8.290 nan 0.000 0.538 333 E N 0.954 121.215 120.200 0.101 0.000 2.097 333 E HA -0.224 4.126 4.350 -0.000 0.000 0.196 333 E C 2.125 178.752 176.600 0.045 0.000 1.000 333 E CA 1.992 58.432 56.400 0.066 0.000 0.804 333 E CB -0.520 29.211 29.700 0.052 0.000 0.740 333 E HN 0.620 nan 8.360 nan 0.000 0.454 334 E N -1.431 118.796 120.200 0.046 0.000 2.250 334 E HA 0.094 4.444 4.350 -0.000 0.000 0.192 334 E C 1.621 178.199 176.600 -0.036 0.000 0.986 334 E CA 0.534 56.932 56.400 -0.002 0.000 0.849 334 E CB -0.379 29.321 29.700 -0.001 0.000 0.797 334 E HN 0.505 nan 8.360 nan 0.000 0.482 335 F N 1.237 121.081 119.950 -0.177 0.000 2.075 335 F HA -0.119 4.408 4.527 -0.000 0.000 0.297 335 F C 2.131 177.839 175.800 -0.154 0.000 1.113 335 F CA 1.762 59.599 58.000 -0.272 0.000 1.218 335 F CB -0.584 38.220 39.000 -0.326 0.000 0.984 335 F HN 0.049 nan 8.300 nan 0.000 0.472 336 Q N 0.500 120.251 119.800 -0.081 0.000 2.135 336 Q HA -0.205 4.135 4.340 -0.000 0.000 0.204 336 Q C 2.444 178.331 176.000 -0.188 0.000 0.981 336 Q CA 1.777 57.495 55.803 -0.142 0.000 0.856 336 Q CB -0.422 28.334 28.738 0.029 0.000 0.902 336 Q HN 0.413 nan 8.270 nan 0.000 0.425 337 R N -0.302 120.115 120.500 -0.138 0.000 2.061 337 R HA -0.069 4.271 4.340 -0.000 0.000 0.230 337 R C 2.127 178.333 176.300 -0.156 0.000 1.140 337 R CA 1.374 57.406 56.100 -0.114 0.000 0.940 337 R CB -0.055 30.199 30.300 -0.076 0.000 0.839 337 R HN 0.172 nan 8.270 nan 0.000 0.429 338 R N -0.136 120.244 120.500 -0.200 0.000 2.119 338 R HA -0.166 4.174 4.340 -0.000 0.000 0.246 338 R C 2.380 178.543 176.300 -0.230 0.000 1.146 338 R CA 1.920 57.894 56.100 -0.210 0.000 0.962 338 R CB -0.314 29.843 30.300 -0.239 0.000 0.863 338 R HN 0.294 nan 8.270 nan 0.000 0.442 339 M N -0.022 119.353 119.600 -0.376 0.000 2.117 339 M HA -0.137 4.343 4.480 -0.000 0.000 0.262 339 M C 2.770 179.026 176.300 -0.074 0.000 1.065 339 M CA 2.037 57.165 55.300 -0.287 0.000 1.114 339 M CB -1.093 31.168 32.600 -0.566 0.000 1.361 339 M HN 0.239 nan 8.290 nan 0.000 0.408 340 R N 0.164 120.597 120.500 -0.112 0.000 2.193 340 R HA 0.202 4.542 4.340 -0.000 0.000 0.229 340 R C 1.986 178.242 176.300 -0.074 0.000 1.110 340 R CA 1.652 57.713 56.100 -0.064 0.000 0.988 340 R CB -1.392 28.865 30.300 -0.072 0.000 0.871 340 R HN 0.574 nan 8.270 nan 0.000 0.458 341 A N -2.273 120.495 122.820 -0.087 0.000 2.382 341 A HA 0.501 4.821 4.320 -0.000 0.000 0.228 341 A C 1.853 179.386 177.584 -0.084 0.000 1.217 341 A CA 0.964 52.944 52.037 -0.094 0.000 0.923 341 A CB 0.129 19.072 19.000 -0.095 0.000 0.979 341 A HN 1.600 nan 8.150 nan 0.000 0.515 342 G N -0.417 108.342 108.800 -0.069 0.000 2.132 342 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.234 342 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.234 342 G C 0.109 174.969 174.900 -0.066 0.000 0.989 342 G CA 0.257 45.315 45.100 -0.071 0.000 0.676 342 G HN 0.423 nan 8.290 nan 0.000 0.522 343 L N 0.008 121.185 121.223 -0.077 0.000 2.466 343 L HA 0.354 4.694 4.340 -0.000 0.000 0.257 343 L C 1.298 178.119 176.870 -0.081 0.000 1.189 343 L CA -0.565 54.228 54.840 -0.078 0.000 0.813 343 L CB 0.580 42.586 42.059 -0.088 0.000 1.118 343 L HN 0.212 nan 8.230 nan 0.000 0.471 344 K N 2.077 122.432 120.400 -0.075 0.000 2.412 344 K HA 0.168 4.488 4.320 -0.000 0.000 0.281 344 K C -0.804 175.724 176.600 -0.119 0.000 1.027 344 K CA -0.399 55.840 56.287 -0.079 0.000 0.989 344 K CB 0.502 32.963 32.500 -0.065 0.000 0.935 344 K HN 0.310 nan 8.250 nan 0.000 0.475 345 I N 6.418 126.914 120.570 -0.123 0.000 2.336 345 I HA 0.259 4.429 4.170 -0.000 0.000 0.292 345 I C -2.017 173.936 176.117 -0.273 0.000 0.991 345 I CA -3.067 58.125 61.300 -0.180 0.000 1.227 345 I CB 0.627 38.588 38.000 -0.065 0.000 1.366 345 I HN 0.569 nan 8.210 nan 0.000 0.466 346 P HA 0.095 nan 4.420 nan 0.000 0.265 346 P C 0.471 177.348 177.300 -0.706 0.000 1.193 346 P CA -0.016 62.651 63.100 -0.721 0.000 0.765 346 P CB 0.677 31.500 31.700 -1.462 0.000 0.823 347 E N 1.845 121.782 120.200 -0.438 0.000 2.331 347 E HA -0.158 4.192 4.350 -0.000 0.000 0.199 347 E C 1.063 177.492 176.600 -0.284 0.000 1.008 347 E CA 1.175 57.421 56.400 -0.258 0.000 0.843 347 E CB -0.272 29.370 29.700 -0.097 0.000 0.761 347 E HN 0.678 nan 8.360 nan 0.000 0.507 348 W N -1.182 119.969 121.300 -0.248 0.000 3.211 348 W HA 0.169 4.829 4.660 -0.000 0.000 0.292 348 W C 1.142 177.518 176.519 -0.239 0.000 1.268 348 W CA -0.375 56.712 57.345 -0.430 0.000 1.702 348 W CB -0.622 28.158 29.460 -1.132 0.000 1.092 348 W HN 0.046 nan 8.180 nan 0.000 0.643 349 Y N 2.139 122.124 120.300 -0.525 0.000 2.231 349 Y HA 0.059 4.609 4.550 -0.000 0.000 0.294 349 Y C 1.786 177.480 175.900 -0.344 0.000 1.120 349 Y CA 2.152 60.025 58.100 -0.378 0.000 1.141 349 Y CB -0.096 37.977 38.460 -0.644 0.000 1.022 349 Y HN -0.120 nan 8.280 nan 0.000 0.523 350 S N -1.983 113.538 115.700 -0.298 0.000 3.137 350 S HA 0.541 5.011 4.470 -0.000 0.000 0.292 350 S C -1.587 172.683 174.600 -0.551 0.000 1.041 350 S CA -0.734 57.278 58.200 -0.312 0.000 0.956 350 S CB 0.132 63.382 63.200 0.083 0.000 1.360 350 S HN -0.034 nan 8.310 nan 0.000 0.690 351 F N 0.764 120.678 119.950 -0.061 0.000 2.546 351 F HA 0.493 5.020 4.527 -0.000 0.000 0.320 351 F C -1.782 174.000 175.800 -0.029 0.000 1.076 351 F CA -1.800 56.147 58.000 -0.088 0.000 0.928 351 F CB 1.330 40.230 39.000 -0.166 0.000 1.189 351 F HN 0.332 nan 8.300 nan 0.000 0.465 352 P HA -0.185 nan 4.420 nan 0.000 0.215 352 P C 0.943 178.305 177.300 0.103 0.000 1.157 352 P CA 1.825 64.986 63.100 0.102 0.000 0.874 352 P CB 0.219 31.962 31.700 0.073 0.000 0.790 353 E N -0.678 119.575 120.200 0.088 0.000 2.097 353 E HA -0.146 4.204 4.350 -0.000 0.000 0.196 353 E C 1.970 178.606 176.600 0.061 0.000 1.000 353 E CA 1.295 57.725 56.400 0.050 0.000 0.804 353 E CB -1.312 28.383 29.700 -0.007 0.000 0.740 353 E HN 0.081 nan 8.360 nan 0.000 0.454 354 V N 1.010 120.973 119.914 0.082 0.000 2.307 354 V HA -0.222 3.898 4.120 -0.000 0.000 0.245 354 V C 2.303 178.474 176.094 0.129 0.000 1.045 354 V CA 1.444 63.788 62.300 0.073 0.000 1.024 354 V CB -0.629 31.239 31.823 0.075 0.000 0.651 354 V HN 0.234 nan 8.190 nan 0.000 0.449 355 L N 0.414 121.739 121.223 0.171 0.000 2.013 355 L HA -0.240 4.100 4.340 -0.000 0.000 0.212 355 L C 2.786 179.739 176.870 0.139 0.000 1.073 355 L CA 1.905 56.850 54.840 0.175 0.000 0.753 355 L CB -0.875 41.288 42.059 0.173 0.000 0.890 355 L HN 0.402 nan 8.230 nan 0.000 0.432 356 A N -0.264 122.638 122.820 0.136 0.000 1.933 356 A HA -0.247 4.073 4.320 -0.000 0.000 0.218 356 A C 2.170 179.830 177.584 0.126 0.000 1.175 356 A CA 1.911 54.030 52.037 0.137 0.000 0.628 356 A CB -0.399 18.657 19.000 0.094 0.000 0.814 356 A HN 0.435 nan 8.150 nan 0.000 0.444 357 E N 0.352 120.610 120.200 0.097 0.000 2.046 357 E HA -0.069 4.281 4.350 -0.000 0.000 0.190 357 E C 1.781 178.436 176.600 0.092 0.000 0.982 357 E CA 1.105 57.556 56.400 0.085 0.000 0.800 357 E CB -0.482 29.255 29.700 0.062 0.000 0.756 357 E HN 0.560 nan 8.360 nan 0.000 0.449 358 L N -0.352 120.922 121.223 0.086 0.000 2.191 358 L HA -0.172 4.168 4.340 -0.000 0.000 0.212 358 L C 2.222 179.108 176.870 0.028 0.000 1.103 358 L CA 1.525 56.403 54.840 0.062 0.000 0.769 358 L CB -0.461 41.653 42.059 0.091 0.000 0.908 358 L HN 0.316 nan 8.230 nan 0.000 0.438 359 H N -0.939 118.173 119.070 0.070 0.000 2.470 359 H HA 0.011 4.567 4.556 -0.000 0.000 0.289 359 H C 2.320 177.671 175.328 0.038 0.000 1.033 359 H CA 0.443 56.514 56.048 0.039 0.000 1.331 359 H CB 0.330 30.105 29.762 0.023 0.000 1.414 359 H HN 0.147 nan 8.280 nan 0.000 0.545 360 R N 0.231 120.828 120.500 0.162 0.000 2.148 360 R HA -0.093 4.247 4.340 -0.000 0.000 0.223 360 R C 1.883 178.235 176.300 0.088 0.000 1.088 360 R CA 1.137 57.299 56.100 0.104 0.000 0.985 360 R CB 0.136 30.484 30.300 0.081 0.000 0.880 360 R HN 0.518 nan 8.270 nan 0.000 0.451 361 Q N -0.552 119.303 119.800 0.092 0.000 2.061 361 Q HA -0.023 4.317 4.340 -0.000 0.000 0.195 361 Q C 0.400 176.449 176.000 0.081 0.000 0.967 361 Q CA 1.332 57.182 55.803 0.078 0.000 0.829 361 Q CB 0.490 29.276 28.738 0.081 0.000 0.900 361 Q HN 0.192 nan 8.270 nan 0.000 0.450 362 T N -0.297 114.313 114.554 0.094 0.000 3.009 362 T HA 0.468 4.818 4.350 -0.000 0.000 0.346 362 T C -2.862 171.926 174.700 0.148 0.000 1.092 362 T CA -2.107 60.051 62.100 0.097 0.000 1.080 362 T CB 1.529 70.442 68.868 0.073 0.000 1.037 362 T HN -0.186 nan 8.240 nan 0.000 0.487 363 P HA 0.401 nan 4.420 nan 0.000 0.274 363 P C -2.648 174.726 177.300 0.125 0.000 1.246 363 P CA -1.576 61.619 63.100 0.158 0.000 0.795 363 P CB -0.397 31.357 31.700 0.091 0.000 1.006 364 P HA 0.164 nan 4.420 nan 0.000 0.269 364 P C 0.931 178.226 177.300 -0.008 0.000 1.209 364 P CA -0.020 63.081 63.100 0.003 0.000 0.776 364 P CB 0.485 32.140 31.700 -0.076 0.000 0.876 365 R N 2.039 122.496 120.500 -0.072 0.000 2.119 365 R HA -0.241 4.099 4.340 -0.000 0.000 0.246 365 R C 1.848 178.123 176.300 -0.042 0.000 1.146 365 R CA 1.912 57.930 56.100 -0.137 0.000 0.962 365 R CB -0.585 29.407 30.300 -0.513 0.000 0.863 365 R HN 0.659 nan 8.270 nan 0.000 0.442 366 E N 0.645 120.800 120.200 -0.076 0.000 2.492 366 E HA -0.227 4.123 4.350 -0.000 0.000 0.204 366 E C 1.555 178.181 176.600 0.043 0.000 1.073 366 E CA 1.124 57.508 56.400 -0.027 0.000 0.887 366 E CB 0.099 29.766 29.700 -0.055 0.000 0.813 366 E HN 0.196 nan 8.360 nan 0.000 0.562 367 R N -0.281 120.262 120.500 0.072 0.000 2.580 367 R HA 0.074 4.414 4.340 -0.000 0.000 0.285 367 R C 0.134 176.509 176.300 0.124 0.000 0.947 367 R CA 0.072 56.219 56.100 0.079 0.000 1.102 367 R CB 0.380 30.687 30.300 0.011 0.000 1.696 367 R HN 0.234 nan 8.270 nan 0.000 0.506 368 Q N -0.787 119.120 119.800 0.179 0.000 2.171 368 Q HA 0.541 4.881 4.340 -0.000 0.000 0.217 368 Q C 0.077 176.252 176.000 0.292 0.000 0.995 368 Q CA -0.722 55.201 55.803 0.200 0.000 0.979 368 Q CB 0.838 29.695 28.738 0.198 0.000 1.152 368 Q HN 0.065 nan 8.270 nan 0.000 0.525 369 G N -0.001 108.931 108.800 0.219 0.000 2.504 369 G HA2 0.565 4.525 3.960 -0.000 0.000 0.288 369 G HA3 0.565 4.525 3.960 -0.000 0.000 0.288 369 G C -1.040 174.009 174.900 0.248 0.000 1.182 369 G CA -0.662 44.526 45.100 0.147 0.000 0.894 369 G HN 0.623 nan 8.290 nan 0.000 0.521 370 F N -1.428 118.475 119.950 -0.078 0.000 2.725 370 F HA 0.651 5.178 4.527 -0.000 0.000 0.309 370 F C -0.437 175.292 175.800 -0.118 0.000 1.132 370 F CA -1.221 56.675 58.000 -0.172 0.000 0.957 370 F CB 1.182 39.871 39.000 -0.518 0.000 1.286 370 F HN 0.709 nan 8.300 nan 0.000 0.440 371 T N 0.189 114.744 114.554 0.002 0.000 2.859 371 T HA 0.762 5.112 4.350 -0.000 0.000 0.281 371 T C -1.290 173.371 174.700 -0.065 0.000 1.005 371 T CA -0.725 61.347 62.100 -0.047 0.000 1.025 371 T CB 1.604 70.536 68.868 0.108 0.000 0.977 371 T HN 0.760 nan 8.240 nan 0.000 0.458 372 V N 4.302 124.179 119.914 -0.063 0.000 2.347 372 V HA 0.456 4.576 4.120 -0.000 0.000 0.280 372 V C -0.846 175.196 176.094 -0.086 0.000 1.021 372 V CA -0.769 61.464 62.300 -0.113 0.000 0.847 372 V CB 0.496 32.297 31.823 -0.037 0.000 0.990 372 V HN 0.909 nan 8.190 nan 0.000 0.444 373 F N 6.185 125.913 119.950 -0.370 0.000 2.325 373 F HA 0.601 5.128 4.527 -0.000 0.000 0.369 373 F C -0.320 175.424 175.800 -0.092 0.000 1.095 373 F CA -0.905 56.993 58.000 -0.170 0.000 1.082 373 F CB 0.636 39.472 39.000 -0.273 0.000 1.289 373 F HN 0.348 nan 8.300 nan 0.000 0.462 374 F N 3.156 123.038 119.950 -0.112 0.000 2.427 374 F HA 0.406 4.933 4.527 -0.000 0.000 0.352 374 F C 0.719 176.580 175.800 0.102 0.000 1.100 374 F CA -0.126 57.881 58.000 0.010 0.000 1.191 374 F CB 1.369 40.341 39.000 -0.047 0.000 1.128 374 F HN 0.273 nan 8.300 nan 0.000 0.533 375 T N 1.767 116.539 114.554 0.363 0.000 2.893 375 T HA 0.830 5.180 4.350 -0.000 0.000 0.293 375 T C -0.313 174.614 174.700 0.379 0.000 1.027 375 T CA -0.018 62.305 62.100 0.373 0.000 0.988 375 T CB 1.384 70.495 68.868 0.406 0.000 1.043 375 T HN 0.999 nan 8.240 nan 0.000 0.461 376 G N 2.372 111.364 108.800 0.320 0.000 2.336 376 G HA2 0.434 4.394 3.960 -0.000 0.000 0.286 376 G HA3 0.434 4.394 3.960 -0.000 0.000 0.286 376 G C -2.150 172.787 174.900 0.061 0.000 1.269 376 G CA -0.676 44.554 45.100 0.218 0.000 0.873 376 G HN 0.851 nan 8.290 nan 0.000 0.494 377 L N 0.494 121.692 121.223 -0.041 0.000 2.387 377 L HA 0.607 4.947 4.340 -0.000 0.000 0.266 377 L C 2.000 178.869 176.870 -0.002 0.000 1.059 377 L CA 0.094 54.899 54.840 -0.058 0.000 0.801 377 L CB 1.351 43.335 42.059 -0.125 0.000 1.223 377 L HN 0.810 nan 8.230 nan 0.000 0.456 378 S N -1.066 114.637 115.700 0.004 0.000 2.584 378 S HA -0.041 4.429 4.470 -0.000 0.000 0.240 378 S C 1.198 175.792 174.600 -0.010 0.000 0.975 378 S CA 0.414 58.615 58.200 0.002 0.000 0.949 378 S CB -0.991 62.209 63.200 0.000 0.000 0.761 378 S HN 0.860 nan 8.310 nan 0.000 0.536 379 G N -0.463 108.327 108.800 -0.016 0.000 3.496 379 G HA2 0.592 4.552 3.960 -0.000 0.000 0.273 379 G HA3 0.592 4.552 3.960 -0.000 0.000 0.273 379 G C 0.727 175.617 174.900 -0.017 0.000 1.279 379 G CA 0.133 45.221 45.100 -0.019 0.000 1.041 379 G HN 0.628 nan 8.290 nan 0.000 0.539 380 A N -0.827 121.986 122.820 -0.011 0.000 2.026 380 A HA 0.548 4.868 4.320 -0.000 0.000 0.198 380 A C 1.940 179.516 177.584 -0.013 0.000 1.390 380 A CA 1.227 53.261 52.037 -0.005 0.000 0.915 380 A CB -0.117 18.895 19.000 0.020 0.000 0.974 380 A HN 1.476 nan 8.150 nan 0.000 0.477 381 G N 0.120 108.903 108.800 -0.029 0.000 2.143 381 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.248 381 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.248 381 G C 0.873 175.726 174.900 -0.078 0.000 0.991 381 G CA 1.031 46.102 45.100 -0.049 0.000 0.689 381 G HN 0.484 nan 8.290 nan 0.000 0.522 382 K N 0.133 120.496 120.400 -0.062 0.000 2.015 382 K HA -0.186 4.134 4.320 -0.000 0.000 0.220 382 K C 2.723 179.127 176.600 -0.326 0.000 1.055 382 K CA 2.064 58.275 56.287 -0.127 0.000 0.951 382 K CB -0.414 32.064 32.500 -0.037 0.000 0.725 382 K HN 0.358 nan 8.250 nan 0.000 0.449 383 S N 0.070 115.639 115.700 -0.218 0.000 2.370 383 S HA -0.140 4.330 4.470 -0.000 0.000 0.226 383 S C 1.946 176.401 174.600 -0.241 0.000 1.033 383 S CA 1.941 60.001 58.200 -0.233 0.000 1.011 383 S CB -0.395 62.723 63.200 -0.136 0.000 0.852 383 S HN 0.442 nan 8.310 nan 0.000 0.457 384 T N 2.475 116.923 114.554 -0.176 0.000 2.746 384 T HA 0.015 4.365 4.350 -0.000 0.000 0.267 384 T C 1.789 176.389 174.700 -0.167 0.000 1.039 384 T CA 0.890 62.909 62.100 -0.136 0.000 1.142 384 T CB -0.464 68.353 68.868 -0.085 0.000 0.866 384 T HN 0.227 nan 8.240 nan 0.000 0.444 385 L N 0.719 121.814 121.223 -0.214 0.000 2.017 385 L HA -0.131 4.209 4.340 -0.000 0.000 0.208 385 L C 3.140 179.796 176.870 -0.358 0.000 1.073 385 L CA 1.386 56.110 54.840 -0.193 0.000 0.745 385 L CB -0.769 41.243 42.059 -0.077 0.000 0.894 385 L HN 0.306 nan 8.230 nan 0.000 0.432 386 A N -0.093 122.220 122.820 -0.845 0.000 1.873 386 A HA -0.286 4.034 4.320 -0.000 0.000 0.218 386 A C 2.343 179.769 177.584 -0.265 0.000 1.193 386 A CA 1.974 53.552 52.037 -0.764 0.000 0.629 386 A CB -0.670 17.830 19.000 -0.834 0.000 0.826 386 A HN 0.325 nan 8.150 nan 0.000 0.447 387 R N -0.907 119.464 120.500 -0.213 0.000 2.096 387 R HA -0.175 4.165 4.340 -0.000 0.000 0.240 387 R C 2.488 178.746 176.300 -0.071 0.000 1.139 387 R CA 1.432 57.463 56.100 -0.115 0.000 0.952 387 R CB -0.471 29.770 30.300 -0.099 0.000 0.854 387 R HN 0.554 nan 8.270 nan 0.000 0.436 388 A N 1.041 123.821 122.820 -0.066 0.000 1.933 388 A HA -0.135 4.185 4.320 -0.000 0.000 0.218 388 A C 2.093 179.679 177.584 0.004 0.000 1.175 388 A CA 0.915 52.936 52.037 -0.026 0.000 0.628 388 A CB -0.517 18.472 19.000 -0.018 0.000 0.814 388 A HN 0.311 nan 8.150 nan 0.000 0.444 389 L N -0.656 120.585 121.223 0.029 0.000 2.093 389 L HA -0.132 4.208 4.340 -0.000 0.000 0.208 389 L C 2.753 179.657 176.870 0.056 0.000 1.085 389 L CA 1.767 56.658 54.840 0.086 0.000 0.755 389 L CB -0.834 41.354 42.059 0.216 0.000 0.904 389 L HN 0.428 nan 8.230 nan 0.000 0.435 390 A N 0.203 123.037 122.820 0.022 0.000 1.883 390 A HA -0.236 4.084 4.320 -0.000 0.000 0.217 390 A C 2.492 180.075 177.584 -0.002 0.000 1.186 390 A CA 2.033 54.069 52.037 -0.001 0.000 0.624 390 A CB -0.886 18.098 19.000 -0.028 0.000 0.822 390 A HN 0.571 nan 8.150 nan 0.000 0.444 391 A N -0.561 122.255 122.820 -0.006 0.000 1.883 391 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 391 A C 2.250 179.837 177.584 0.005 0.000 1.186 391 A CA 1.688 53.722 52.037 -0.005 0.000 0.624 391 A CB -0.496 18.499 19.000 -0.009 0.000 0.822 391 A HN 0.424 nan 8.150 nan 0.000 0.444 392 R N -0.263 120.246 120.500 0.015 0.000 2.080 392 R HA -0.080 4.260 4.340 -0.000 0.000 0.236 392 R C 2.110 178.428 176.300 0.029 0.000 1.137 392 R CA 1.464 57.577 56.100 0.022 0.000 0.943 392 R CB -1.281 29.037 30.300 0.030 0.000 0.846 392 R HN 0.607 nan 8.270 nan 0.000 0.431 393 L N 0.454 121.701 121.223 0.040 0.000 2.261 393 L HA -0.134 4.206 4.340 -0.000 0.000 0.216 393 L C 2.493 179.378 176.870 0.026 0.000 1.114 393 L CA 1.021 55.890 54.840 0.049 0.000 0.777 393 L CB -0.381 41.712 42.059 0.057 0.000 0.910 393 L HN 0.205 nan 8.230 nan 0.000 0.440 394 M N -0.986 118.620 119.600 0.010 0.000 2.394 394 M HA -0.136 4.344 4.480 -0.000 0.000 0.264 394 M C 1.795 178.098 176.300 0.005 0.000 1.073 394 M CA 1.177 56.477 55.300 0.000 0.000 1.111 394 M CB -0.261 32.334 32.600 -0.008 0.000 1.401 394 M HN 0.217 nan 8.290 nan 0.000 0.448 395 E N 0.369 120.575 120.200 0.010 0.000 2.331 395 E HA -0.181 4.169 4.350 -0.000 0.000 0.199 395 E C 1.743 178.351 176.600 0.013 0.000 1.008 395 E CA 0.994 57.400 56.400 0.010 0.000 0.843 395 E CB -0.102 29.605 29.700 0.012 0.000 0.761 395 E HN 0.603 nan 8.360 nan 0.000 0.507 396 M N -0.662 118.950 119.600 0.020 0.000 2.447 396 M HA 0.114 4.594 4.480 -0.000 0.000 0.266 396 M C 1.164 177.476 176.300 0.020 0.000 1.120 396 M CA 0.633 55.948 55.300 0.025 0.000 1.166 396 M CB 0.286 32.912 32.600 0.044 0.000 1.349 396 M HN 0.122 nan 8.290 nan 0.000 0.463 397 G N -0.128 108.681 108.800 0.014 0.000 2.877 397 G HA2 -0.020 3.940 3.960 -0.000 0.000 0.279 397 G HA3 -0.020 3.940 3.960 -0.000 0.000 0.279 397 G C 0.573 175.481 174.900 0.014 0.000 1.431 397 G CA -0.236 44.869 45.100 0.008 0.000 0.883 397 G HN 0.817 nan 8.290 nan 0.000 0.547 398 G N -0.937 107.868 108.800 0.008 0.000 3.444 398 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.222 398 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.222 398 G C 0.595 175.502 174.900 0.011 0.000 1.358 398 G CA 1.566 46.673 45.100 0.012 0.000 0.880 398 G HN 1.411 nan 8.290 nan 0.000 0.555 399 R N -0.003 120.507 120.500 0.016 0.000 2.460 399 R HA 0.601 4.941 4.340 -0.000 0.000 0.303 399 R C -0.311 175.972 176.300 -0.029 0.000 0.968 399 R CA -0.445 55.653 56.100 -0.003 0.000 0.889 399 R CB 1.607 31.914 30.300 0.011 0.000 1.123 399 R HN 0.320 nan 8.270 nan 0.000 0.455 400 C N 2.626 121.897 119.300 -0.048 0.000 2.536 400 C HA 0.349 4.809 4.460 -0.000 0.000 0.396 400 C C 0.391 175.328 174.990 -0.087 0.000 1.279 400 C CA -0.628 58.356 59.018 -0.057 0.000 2.148 400 C CB 0.454 28.163 27.740 -0.053 0.000 2.584 400 C HN 0.457 nan 8.230 nan 0.000 0.579 401 V N 3.719 123.586 119.914 -0.078 0.000 2.435 401 V HA 0.492 4.612 4.120 -0.000 0.000 0.290 401 V C 0.205 176.250 176.094 -0.082 0.000 1.030 401 V CA -0.051 62.190 62.300 -0.097 0.000 0.881 401 V CB 1.795 33.572 31.823 -0.077 0.000 0.983 401 V HN 0.999 nan 8.190 nan 0.000 0.445 402 T N 5.806 120.305 114.554 -0.093 0.000 2.812 402 T HA 0.459 4.809 4.350 -0.000 0.000 0.282 402 T C -0.489 174.171 174.700 -0.068 0.000 0.990 402 T CA -0.303 61.752 62.100 -0.074 0.000 0.960 402 T CB 1.272 70.094 68.868 -0.077 0.000 0.948 402 T HN 0.461 nan 8.240 nan 0.000 0.438 403 L N 4.929 126.119 121.223 -0.055 0.000 2.282 403 L HA 0.442 4.782 4.340 -0.000 0.000 0.287 403 L C -0.434 176.408 176.870 -0.048 0.000 1.075 403 L CA -0.603 54.204 54.840 -0.056 0.000 0.839 403 L CB 0.204 42.229 42.059 -0.057 0.000 1.219 403 L HN 0.581 nan 8.230 nan 0.000 0.434 404 L N 5.381 126.574 121.223 -0.050 0.000 2.399 404 L HA 0.139 4.479 4.340 -0.000 0.000 0.257 404 L C -0.039 176.801 176.870 -0.050 0.000 1.236 404 L CA 0.050 54.868 54.840 -0.036 0.000 1.144 404 L CB 0.182 42.224 42.059 -0.027 0.000 1.379 404 L HN 0.664 nan 8.230 nan 0.000 0.414 405 D N 0.492 120.865 120.400 -0.045 0.000 3.045 405 D HA 0.169 4.809 4.640 -0.000 0.000 0.196 405 D C 1.267 177.547 176.300 -0.034 0.000 1.520 405 D CA 0.767 54.732 54.000 -0.057 0.000 1.466 405 D CB 0.178 40.924 40.800 -0.091 0.000 1.152 405 D HN 0.249 nan 8.370 nan 0.000 0.254 406 G N 0.414 109.194 108.800 -0.032 0.000 2.672 406 G HA2 -0.002 3.958 3.960 -0.000 0.000 0.200 406 G HA3 -0.002 3.958 3.960 -0.000 0.000 0.200 406 G C 0.851 175.742 174.900 -0.015 0.000 1.819 406 G CA 0.764 45.850 45.100 -0.024 0.000 0.902 406 G HN 0.231 nan 8.290 nan 0.000 0.512 407 D N 0.612 121.001 120.400 -0.018 0.000 2.126 407 D HA -0.160 4.480 4.640 -0.000 0.000 0.190 407 D C 2.491 178.778 176.300 -0.022 0.000 1.001 407 D CA 0.911 54.896 54.000 -0.026 0.000 0.841 407 D CB -0.383 40.403 40.800 -0.023 0.000 0.949 407 D HN 0.289 nan 8.370 nan 0.000 0.446 408 I N 0.806 121.388 120.570 0.021 0.000 2.074 408 I HA -0.327 3.843 4.170 -0.000 0.000 0.238 408 I C 2.605 178.783 176.117 0.103 0.000 1.037 408 I CA 1.297 62.659 61.300 0.104 0.000 1.301 408 I CB -0.234 37.816 38.000 0.084 0.000 1.016 408 I HN -0.085 nan 8.210 nan 0.000 0.400 409 V N 0.269 120.212 119.914 0.048 0.000 2.307 409 V HA -0.249 3.871 4.120 -0.000 0.000 0.245 409 V C 2.483 178.582 176.094 0.009 0.000 1.045 409 V CA 1.722 64.047 62.300 0.041 0.000 1.024 409 V CB -0.783 31.054 31.823 0.023 0.000 0.651 409 V HN 0.347 nan 8.190 nan 0.000 0.449 410 R N -0.139 120.352 120.500 -0.016 0.000 2.097 410 R HA -0.267 4.073 4.340 -0.000 0.000 0.236 410 R C 2.505 178.753 176.300 -0.086 0.000 1.135 410 R CA 2.274 58.349 56.100 -0.041 0.000 0.934 410 R CB -0.495 29.779 30.300 -0.043 0.000 0.846 410 R HN 0.320 nan 8.270 nan 0.000 0.431 411 R N -0.205 120.197 120.500 -0.163 0.000 2.134 411 R HA -0.196 4.144 4.340 -0.000 0.000 0.248 411 R C 1.965 178.018 176.300 -0.411 0.000 1.143 411 R CA 2.056 57.946 56.100 -0.351 0.000 0.957 411 R CB -0.185 29.790 30.300 -0.542 0.000 0.867 411 R HN 0.475 nan 8.270 nan 0.000 0.441 412 H N -2.613 116.453 119.070 -0.006 0.000 2.545 412 H HA 0.138 4.694 4.556 -0.000 0.000 0.283 412 H C 1.316 176.647 175.328 0.004 0.000 0.997 412 H CA 0.706 56.753 56.048 -0.002 0.000 1.269 412 H CB 0.366 30.127 29.762 -0.001 0.000 1.451 412 H HN 0.156 nan 8.280 nan 0.000 0.508 413 L N 0.476 121.764 121.223 0.108 0.000 2.500 413 L HA 0.109 4.449 4.340 -0.000 0.000 0.219 413 L C 0.915 177.804 176.870 0.031 0.000 1.057 413 L CA 0.887 55.773 54.840 0.076 0.000 0.854 413 L CB 0.517 42.627 42.059 0.085 0.000 1.078 413 L HN 0.059 nan 8.230 nan 0.000 0.480 414 S N -2.779 112.923 115.700 0.003 0.000 2.977 414 S HA 0.097 4.567 4.470 -0.000 0.000 0.250 414 S C 0.884 175.449 174.600 -0.058 0.000 1.005 414 S CA 0.140 58.323 58.200 -0.029 0.000 1.081 414 S CB -0.192 62.987 63.200 -0.036 0.000 1.018 414 S HN 0.203 nan 8.310 nan 0.000 0.539 415 S N 0.130 115.801 115.700 -0.050 0.000 2.786 415 S HA 0.390 4.860 4.470 -0.000 0.000 0.223 415 S C 0.743 175.304 174.600 -0.066 0.000 0.956 415 S CA 0.490 58.654 58.200 -0.061 0.000 0.961 415 S CB -0.483 62.681 63.200 -0.059 0.000 0.784 415 S HN 0.822 nan 8.310 nan 0.000 0.519 416 E N 0.376 120.530 120.200 -0.075 0.000 3.625 416 E HA 0.537 4.887 4.350 -0.000 0.000 0.166 416 E C -0.511 176.030 176.600 -0.098 0.000 0.978 416 E CA -0.487 55.869 56.400 -0.074 0.000 1.429 416 E CB -0.462 29.209 29.700 -0.049 0.000 1.100 416 E HN 0.602 nan 8.360 nan 0.000 0.428 417 L N 0.103 121.238 121.223 -0.146 0.000 2.329 417 L HA 0.810 5.150 4.340 -0.000 0.000 0.279 417 L C 1.379 178.054 176.870 -0.326 0.000 1.014 417 L CA -1.039 53.688 54.840 -0.188 0.000 0.814 417 L CB 2.214 44.170 42.059 -0.172 0.000 1.257 417 L HN 0.323 nan 8.230 nan 0.000 0.424 418 G N 0.856 109.490 108.800 -0.277 0.000 2.580 418 G HA2 0.197 4.157 3.960 -0.000 0.000 0.225 418 G HA3 0.197 4.157 3.960 -0.000 0.000 0.225 418 G C -0.016 174.524 174.900 -0.599 0.000 1.521 418 G CA 0.005 44.905 45.100 -0.333 0.000 1.068 418 G HN 0.532 nan 8.290 nan 0.000 0.564 419 F N 0.257 120.207 119.950 -0.000 0.000 2.724 419 F HA 0.268 4.795 4.527 -0.000 0.000 0.310 419 F C 1.293 177.093 175.800 -0.000 0.000 1.107 419 F CA -0.451 57.550 58.000 0.000 0.000 1.218 419 F CB 0.507 39.511 39.000 0.006 0.000 1.042 419 F HN 0.092 nan 8.300 nan 0.000 0.540 420 S N 0.671 116.428 115.700 0.096 0.000 2.560 420 S HA -0.033 4.437 4.470 -0.000 0.000 0.276 420 S C 1.236 175.865 174.600 0.049 0.000 1.350 420 S CA -0.492 57.747 58.200 0.065 0.000 1.024 420 S CB 0.827 64.041 63.200 0.024 0.000 0.864 420 S HN 0.188 nan 8.310 nan 0.000 0.536 421 K N 2.355 122.783 120.400 0.047 0.000 1.977 421 K HA -0.117 4.203 4.320 -0.000 0.000 0.218 421 K C 2.271 178.856 176.600 -0.025 0.000 1.051 421 K CA 1.660 57.963 56.287 0.027 0.000 0.953 421 K CB -1.103 31.441 32.500 0.072 0.000 0.727 421 K HN 0.692 nan 8.250 nan 0.000 0.445 422 A N 0.585 123.402 122.820 -0.006 0.000 2.121 422 A HA -0.165 4.155 4.320 -0.000 0.000 0.218 422 A C 2.380 179.944 177.584 -0.033 0.000 1.154 422 A CA 2.021 54.045 52.037 -0.021 0.000 0.679 422 A CB -1.417 17.581 19.000 -0.004 0.000 0.795 422 A HN 0.641 nan 8.150 nan 0.000 0.458 423 H N -1.053 117.998 119.070 -0.031 0.000 2.326 423 H HA -0.007 4.549 4.556 -0.000 0.000 0.301 423 H C 2.230 177.525 175.328 -0.056 0.000 1.081 423 H CA 1.561 57.579 56.048 -0.050 0.000 1.334 423 H CB -0.376 29.346 29.762 -0.067 0.000 1.385 423 H HN 0.325 nan 8.280 nan 0.000 0.504 424 R N 0.416 120.890 120.500 -0.043 0.000 2.189 424 R HA -0.081 4.259 4.340 -0.000 0.000 0.218 424 R C 1.919 178.181 176.300 -0.063 0.000 1.074 424 R CA 1.092 57.171 56.100 -0.036 0.000 0.991 424 R CB -0.591 29.711 30.300 0.002 0.000 0.883 424 R HN 0.699 nan 8.270 nan 0.000 0.457 425 D N 0.112 120.455 120.400 -0.094 0.000 2.097 425 D HA -0.114 4.526 4.640 -0.000 0.000 0.197 425 D C 1.820 178.098 176.300 -0.037 0.000 0.984 425 D CA 0.765 54.711 54.000 -0.090 0.000 0.826 425 D CB -0.028 40.717 40.800 -0.092 0.000 0.973 425 D HN -0.065 nan 8.370 nan 0.000 0.460 426 V N 0.828 120.722 119.914 -0.033 0.000 2.392 426 V HA -0.270 3.850 4.120 -0.000 0.000 0.249 426 V C 2.275 178.366 176.094 -0.004 0.000 1.059 426 V CA 2.480 64.767 62.300 -0.022 0.000 1.051 426 V CB -0.704 31.101 31.823 -0.030 0.000 0.658 426 V HN 0.372 nan 8.190 nan 0.000 0.455 427 N N -0.770 117.926 118.700 -0.008 0.000 2.084 427 N HA -0.163 4.577 4.740 -0.000 0.000 0.190 427 N C 1.732 177.275 175.510 0.055 0.000 1.030 427 N CA 1.855 54.913 53.050 0.014 0.000 0.849 427 N CB -0.161 38.325 38.487 -0.002 0.000 1.012 427 N HN 0.289 nan 8.380 nan 0.000 0.423 428 V N 1.053 121.003 119.914 0.060 0.000 2.332 428 V HA -0.221 3.899 4.120 -0.000 0.000 0.248 428 V C 2.458 178.637 176.094 0.142 0.000 1.055 428 V CA 1.772 64.145 62.300 0.122 0.000 1.038 428 V CB -0.609 31.279 31.823 0.109 0.000 0.651 428 V HN 0.382 nan 8.190 nan 0.000 0.450 429 R N -0.611 119.941 120.500 0.086 0.000 2.115 429 R HA -0.097 4.243 4.340 -0.000 0.000 0.226 429 R C 2.480 178.856 176.300 0.127 0.000 1.100 429 R CA 1.120 57.273 56.100 0.089 0.000 0.980 429 R CB -0.275 30.046 30.300 0.034 0.000 0.875 429 R HN 0.350 nan 8.270 nan 0.000 0.445 430 R N 1.132 121.696 120.500 0.106 0.000 2.081 430 R HA -0.024 4.316 4.340 -0.000 0.000 0.235 430 R C 2.015 178.433 176.300 0.197 0.000 1.131 430 R CA 1.286 57.469 56.100 0.139 0.000 0.960 430 R CB -0.216 30.137 30.300 0.088 0.000 0.856 430 R HN 0.154 nan 8.270 nan 0.000 0.436 431 I N -0.479 120.189 120.570 0.162 0.000 2.439 431 I HA -0.093 4.077 4.170 -0.000 0.000 0.251 431 I C 2.024 178.266 176.117 0.209 0.000 1.139 431 I CA 1.246 62.642 61.300 0.160 0.000 1.438 431 I CB -0.392 37.686 38.000 0.130 0.000 1.085 431 I HN 0.418 nan 8.210 nan 0.000 0.427 432 G N 0.418 109.372 108.800 0.258 0.000 2.484 432 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.218 432 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.218 432 G C 1.458 176.495 174.900 0.228 0.000 1.130 432 G CA 0.090 45.353 45.100 0.273 0.000 0.784 432 G HN 0.313 nan 8.290 nan 0.000 0.543 433 F N 1.272 121.267 119.950 0.074 0.000 2.094 433 F HA 0.029 4.556 4.527 0.000 0.000 0.291 433 F C 2.571 178.397 175.800 0.044 0.000 1.109 433 F CA 1.045 59.073 58.000 0.046 0.000 1.221 433 F CB -0.532 38.486 39.000 0.030 0.000 1.014 433 F HN -0.025 nan 8.300 nan 0.000 0.473 434 V N 1.168 121.008 119.914 -0.124 0.000 2.324 434 V HA -0.353 3.767 4.120 -0.000 0.000 0.250 434 V C 2.819 178.813 176.094 -0.167 0.000 1.060 434 V CA 1.981 64.138 62.300 -0.240 0.000 1.042 434 V CB -1.711 30.078 31.823 -0.055 0.000 0.650 434 V HN 0.539 nan 8.190 nan 0.000 0.450 435 A N 0.724 123.525 122.820 -0.033 0.000 1.892 435 A HA -0.278 4.042 4.320 -0.000 0.000 0.218 435 A C 2.572 180.141 177.584 -0.025 0.000 1.188 435 A CA 2.760 54.801 52.037 0.007 0.000 0.631 435 A CB -0.943 18.135 19.000 0.130 0.000 0.822 435 A HN 0.734 nan 8.150 nan 0.000 0.447 436 S N -0.342 115.340 115.700 -0.031 0.000 2.382 436 S HA -0.200 4.270 4.470 -0.000 0.000 0.228 436 S C 1.694 176.232 174.600 -0.103 0.000 1.027 436 S CA 1.419 59.600 58.200 -0.033 0.000 0.991 436 S CB -0.471 62.731 63.200 0.004 0.000 0.823 436 S HN 0.576 nan 8.310 nan 0.000 0.469 437 E N 1.473 121.535 120.200 -0.230 0.000 2.051 437 E HA -0.078 4.272 4.350 -0.000 0.000 0.192 437 E C 2.238 178.755 176.600 -0.138 0.000 0.991 437 E CA 1.093 57.362 56.400 -0.218 0.000 0.799 437 E CB -0.450 29.047 29.700 -0.339 0.000 0.748 437 E HN 0.484 nan 8.360 nan 0.000 0.449 438 I N 1.124 121.615 120.570 -0.132 0.000 2.194 438 I HA -0.266 3.904 4.170 -0.000 0.000 0.246 438 I C 2.696 178.763 176.117 -0.084 0.000 1.093 438 I CA 1.913 63.151 61.300 -0.104 0.000 1.355 438 I CB -1.891 36.046 38.000 -0.105 0.000 1.046 438 I HN 0.203 nan 8.210 nan 0.000 0.413 439 T N -0.194 114.322 114.554 -0.063 0.000 2.852 439 T HA -0.147 4.203 4.350 -0.000 0.000 0.256 439 T C 2.027 176.726 174.700 -0.002 0.000 1.038 439 T CA 1.180 63.261 62.100 -0.032 0.000 1.141 439 T CB -0.111 68.759 68.868 0.003 0.000 0.869 439 T HN 0.277 nan 8.240 nan 0.000 0.439 440 K N 0.747 121.142 120.400 -0.008 0.000 2.107 440 K HA -0.207 4.113 4.320 -0.000 0.000 0.211 440 K C 1.667 178.260 176.600 -0.010 0.000 1.049 440 K CA 1.894 58.179 56.287 -0.004 0.000 0.927 440 K CB -0.403 32.083 32.500 -0.025 0.000 0.714 440 K HN 0.324 nan 8.250 nan 0.000 0.452 441 N N 0.565 119.246 118.700 -0.031 0.000 2.362 441 N HA -0.008 4.732 4.740 -0.000 0.000 0.204 441 N C -0.341 175.157 175.510 -0.020 0.000 1.166 441 N CA 0.233 53.264 53.050 -0.032 0.000 0.831 441 N CB 0.203 38.659 38.487 -0.051 0.000 1.008 441 N HN 0.157 nan 8.380 nan 0.000 0.472 442 R N -1.478 119.019 120.500 -0.005 0.000 3.854 442 R HA -0.097 4.243 4.340 -0.000 0.000 0.352 442 R C 0.214 176.503 176.300 -0.019 0.000 1.156 442 R CA 0.651 56.759 56.100 0.012 0.000 0.917 442 R CB -2.043 28.268 30.300 0.018 0.000 1.471 442 R HN 0.327 nan 8.270 nan 0.000 0.521 443 G N -0.160 108.602 108.800 -0.064 0.000 2.552 443 G HA2 0.679 4.639 3.960 -0.000 0.000 0.324 443 G HA3 0.679 4.639 3.960 -0.000 0.000 0.324 443 G C -0.130 174.632 174.900 -0.230 0.000 1.217 443 G CA -0.406 44.625 45.100 -0.115 0.000 0.989 443 G HN 0.310 nan 8.290 nan 0.000 0.490 444 I N -0.865 119.509 120.570 -0.327 0.000 2.378 444 I HA 0.787 4.957 4.170 -0.000 0.000 0.291 444 I C -0.176 175.724 176.117 -0.361 0.000 0.992 444 I CA -1.028 59.912 61.300 -0.599 0.000 1.154 444 I CB 1.862 39.242 38.000 -1.033 0.000 1.315 444 I HN 0.519 nan 8.210 nan 0.000 0.448 445 A N 7.966 130.606 122.820 -0.301 0.000 2.288 445 A HA 0.777 5.097 4.320 -0.000 0.000 0.320 445 A C -0.703 176.817 177.584 -0.107 0.000 1.217 445 A CA -0.620 51.325 52.037 -0.153 0.000 0.840 445 A CB 0.791 19.741 19.000 -0.084 0.000 1.179 445 A HN 0.795 nan 8.150 nan 0.000 0.504 446 I N 2.241 122.770 120.570 -0.067 0.000 2.382 446 I HA 0.327 4.497 4.170 -0.000 0.000 0.286 446 I C -0.837 175.262 176.117 -0.030 0.000 1.002 446 I CA -0.229 61.069 61.300 -0.004 0.000 1.135 446 I CB 1.471 39.489 38.000 0.030 0.000 1.288 446 I HN 0.565 nan 8.210 nan 0.000 0.448 447 C N 5.049 124.313 119.300 -0.060 0.000 2.441 447 C HA 0.810 5.270 4.460 -0.000 0.000 0.318 447 C C 0.559 175.350 174.990 -0.332 0.000 1.222 447 C CA -0.588 58.292 59.018 -0.230 0.000 1.474 447 C CB 1.142 28.610 27.740 -0.454 0.000 2.125 447 C HN 0.821 nan 8.230 nan 0.000 0.479 448 A N 4.156 126.821 122.820 -0.258 0.000 3.355 448 A HA 0.552 4.872 4.320 -0.000 0.000 0.290 448 A C -2.197 175.311 177.584 -0.128 0.000 0.973 448 A CA -0.665 51.257 52.037 -0.192 0.000 0.933 448 A CB -0.074 18.800 19.000 -0.209 0.000 1.138 448 A HN 0.731 nan 8.150 nan 0.000 0.490 449 P HA 0.472 nan 4.420 nan 0.000 0.277 449 P C -0.429 176.912 177.300 0.068 0.000 1.271 449 P CA -0.371 62.722 63.100 -0.012 0.000 0.795 449 P CB 0.762 32.477 31.700 0.024 0.000 1.101 450 I N -1.603 119.023 120.570 0.095 0.000 2.363 450 I HA 0.577 4.747 4.170 -0.000 0.000 0.292 450 I C 0.058 176.265 176.117 0.150 0.000 1.075 450 I CA -0.996 60.382 61.300 0.131 0.000 1.333 450 I CB -0.434 37.636 38.000 0.118 0.000 1.415 450 I HN 0.326 nan 8.210 nan 0.000 0.502 451 A N 6.928 129.873 122.820 0.208 0.000 2.476 451 A HA 0.837 5.157 4.320 -0.000 0.000 0.280 451 A C -2.393 175.315 177.584 0.205 0.000 1.081 451 A CA -0.754 51.392 52.037 0.182 0.000 0.753 451 A CB 1.413 20.562 19.000 0.248 0.000 1.248 451 A HN 0.585 nan 8.150 nan 0.000 0.424 452 P HA 0.219 nan 4.420 nan 0.000 0.282 452 P C -0.770 176.591 177.300 0.101 0.000 1.327 452 P CA 0.317 63.472 63.100 0.092 0.000 0.949 452 P CB 0.257 32.178 31.700 0.368 0.000 1.445 453 Y N 0.099 120.298 120.300 -0.169 0.000 2.369 453 Y HA 0.493 5.043 4.550 -0.000 0.000 0.337 453 Y C 2.025 177.845 175.900 -0.133 0.000 0.961 453 Y CA -1.498 56.515 58.100 -0.145 0.000 1.186 453 Y CB 0.123 38.542 38.460 -0.067 0.000 1.139 453 Y HN -0.216 nan 8.280 nan 0.000 0.494 454 R N 1.970 122.443 120.500 -0.044 0.000 2.174 454 R HA -0.279 4.061 4.340 -0.000 0.000 0.253 454 R C 1.965 178.262 176.300 -0.006 0.000 1.165 454 R CA 2.533 58.605 56.100 -0.047 0.000 0.984 454 R CB -1.644 28.612 30.300 -0.072 0.000 0.873 454 R HN 0.821 nan 8.270 nan 0.000 0.456 455 Q N -0.841 118.982 119.800 0.038 0.000 1.927 455 Q HA -0.199 4.141 4.340 -0.000 0.000 0.210 455 Q C 2.638 178.649 176.000 0.019 0.000 1.001 455 Q CA 2.471 58.296 55.803 0.037 0.000 0.862 455 Q CB -1.529 27.265 28.738 0.094 0.000 0.934 455 Q HN 0.670 nan 8.270 nan 0.000 0.420 456 T N -0.336 114.249 114.554 0.051 0.000 2.833 456 T HA -0.020 4.330 4.350 -0.000 0.000 0.269 456 T C 2.306 176.980 174.700 -0.044 0.000 1.054 456 T CA 2.040 64.142 62.100 0.005 0.000 1.135 456 T CB -0.450 68.418 68.868 -0.000 0.000 0.869 456 T HN 0.780 nan 8.240 nan 0.000 0.466 457 R N 1.162 121.636 120.500 -0.044 0.000 2.152 457 R HA 0.062 4.402 4.340 -0.000 0.000 0.232 457 R C 2.490 178.674 176.300 -0.194 0.000 1.117 457 R CA 1.966 57.987 56.100 -0.133 0.000 0.981 457 R CB -1.666 28.596 30.300 -0.064 0.000 0.870 457 R HN 0.591 nan 8.270 nan 0.000 0.451 458 R N 1.361 121.786 120.500 -0.125 0.000 2.120 458 R HA -0.083 4.257 4.340 -0.000 0.000 0.234 458 R C 1.935 178.133 176.300 -0.169 0.000 1.123 458 R CA 1.711 57.731 56.100 -0.134 0.000 0.975 458 R CB -0.794 29.461 30.300 -0.075 0.000 0.866 458 R HN 0.703 nan 8.270 nan 0.000 0.446 459 D N -0.435 119.879 120.400 -0.144 0.000 2.259 459 D HA 0.009 4.649 4.640 -0.000 0.000 0.216 459 D C 2.110 178.308 176.300 -0.171 0.000 0.961 459 D CA 1.147 55.075 54.000 -0.121 0.000 0.878 459 D CB 0.007 40.768 40.800 -0.065 0.000 1.009 459 D HN 0.185 nan 8.370 nan 0.000 0.490 460 V N 2.170 121.962 119.914 -0.203 0.000 2.231 460 V HA -0.296 3.824 4.120 -0.000 0.000 0.248 460 V C 2.694 178.488 176.094 -0.501 0.000 1.054 460 V CA 2.080 64.231 62.300 -0.249 0.000 1.015 460 V CB -0.595 31.074 31.823 -0.257 0.000 0.638 460 V HN 0.175 nan 8.190 nan 0.000 0.444 461 R N 0.421 120.388 120.500 -0.889 0.000 2.117 461 R HA -0.224 4.116 4.340 -0.000 0.000 0.243 461 R C 2.150 178.036 176.300 -0.691 0.000 1.143 461 R CA 2.042 57.247 56.100 -1.492 0.000 0.968 461 R CB -0.452 29.076 30.300 -1.287 0.000 0.863 461 R HN 0.496 nan 8.270 nan 0.000 0.444 462 A N 0.900 123.492 122.820 -0.380 0.000 1.929 462 A HA -0.109 4.211 4.320 -0.000 0.000 0.216 462 A C 2.235 179.745 177.584 -0.124 0.000 1.176 462 A CA 1.189 53.109 52.037 -0.194 0.000 0.628 462 A CB -0.462 18.463 19.000 -0.126 0.000 0.816 462 A HN 0.478 nan 8.150 nan 0.000 0.444 463 M N -0.312 119.217 119.600 -0.119 0.000 2.117 463 M HA -0.153 4.327 4.480 -0.000 0.000 0.262 463 M C 2.100 178.392 176.300 -0.013 0.000 1.065 463 M CA 2.309 57.589 55.300 -0.033 0.000 1.114 463 M CB -0.251 32.354 32.600 0.008 0.000 1.361 463 M HN 0.582 nan 8.290 nan 0.000 0.408 464 I N -1.226 119.318 120.570 -0.045 0.000 2.584 464 I HA -0.081 4.089 4.170 -0.000 0.000 0.255 464 I C 1.777 177.932 176.117 0.064 0.000 1.145 464 I CA 1.504 62.833 61.300 0.048 0.000 1.462 464 I CB -0.458 37.646 38.000 0.173 0.000 1.102 464 I HN 0.254 nan 8.210 nan 0.000 0.433 465 E N 0.851 121.052 120.200 0.001 0.000 2.338 465 E HA -0.089 4.261 4.350 -0.000 0.000 0.197 465 E C 2.187 178.820 176.600 0.055 0.000 1.007 465 E CA 0.847 57.277 56.400 0.050 0.000 0.849 465 E CB -0.085 29.608 29.700 -0.011 0.000 0.774 465 E HN 0.715 nan 8.360 nan 0.000 0.506 466 A N -0.070 122.770 122.820 0.034 0.000 2.014 466 A HA -0.044 4.276 4.320 -0.000 0.000 0.218 466 A C 2.036 179.654 177.584 0.057 0.000 1.163 466 A CA 0.800 52.863 52.037 0.043 0.000 0.652 466 A CB 0.296 19.316 19.000 0.034 0.000 0.808 466 A HN 0.233 nan 8.150 nan 0.000 0.449 467 V N -2.284 117.668 119.914 0.062 0.000 3.556 467 V HA 0.511 4.631 4.120 -0.000 0.000 0.287 467 V C 0.794 176.936 176.094 0.081 0.000 1.422 467 V CA 1.060 63.396 62.300 0.060 0.000 1.038 467 V CB 0.380 32.228 31.823 0.042 0.000 0.850 467 V HN 0.852 nan 8.190 nan 0.000 0.437 468 G N -0.839 108.026 108.800 0.108 0.000 2.392 468 G HA2 0.408 4.368 3.960 -0.000 0.000 0.260 468 G HA3 0.408 4.368 3.960 -0.000 0.000 0.260 468 G C -0.266 174.748 174.900 0.190 0.000 1.226 468 G CA -0.021 45.169 45.100 0.150 0.000 0.913 468 G HN 0.525 nan 8.290 nan 0.000 0.483 469 G N -0.765 108.161 108.800 0.210 0.000 2.356 469 G HA2 0.598 4.558 3.960 -0.000 0.000 0.298 469 G HA3 0.598 4.558 3.960 -0.000 0.000 0.298 469 G C -1.483 173.511 174.900 0.156 0.000 1.145 469 G CA -0.322 44.867 45.100 0.148 0.000 0.850 469 G HN 0.819 nan 8.290 nan 0.000 0.487 470 F N 2.964 122.917 119.950 0.005 0.000 2.493 470 F HA 0.595 5.122 4.527 -0.000 0.000 0.329 470 F C -0.757 175.044 175.800 0.002 0.000 1.126 470 F CA -0.844 57.166 58.000 0.016 0.000 0.937 470 F CB 2.316 41.325 39.000 0.015 0.000 1.146 470 F HN 0.309 nan 8.300 nan 0.000 0.442 471 V N 5.909 125.532 119.914 -0.486 0.000 2.409 471 V HA 0.254 4.374 4.120 -0.000 0.000 0.290 471 V C -0.450 175.357 176.094 -0.479 0.000 1.017 471 V CA -0.802 61.304 62.300 -0.323 0.000 0.841 471 V CB 1.437 33.127 31.823 -0.221 0.000 1.003 471 V HN 0.759 nan 8.190 nan 0.000 0.426 472 E N 4.959 124.982 120.200 -0.296 0.000 2.259 472 E HA 0.533 4.883 4.350 -0.000 0.000 0.281 472 E C -0.675 175.860 176.600 -0.107 0.000 1.027 472 E CA -0.536 55.770 56.400 -0.157 0.000 0.838 472 E CB 1.394 31.144 29.700 0.083 0.000 1.066 472 E HN 0.780 nan 8.360 nan 0.000 0.401 473 I N 3.410 123.884 120.570 -0.160 0.000 2.410 473 I HA 0.299 4.469 4.170 -0.000 0.000 0.286 473 I C -0.954 175.188 176.117 0.042 0.000 1.009 473 I CA -0.816 60.393 61.300 -0.152 0.000 1.111 473 I CB 1.363 39.117 38.000 -0.411 0.000 1.262 473 I HN 0.595 nan 8.210 nan 0.000 0.443 474 H N 7.143 126.220 119.070 0.013 0.000 2.782 474 H HA 0.362 4.918 4.556 -0.000 0.000 0.285 474 H C -1.062 174.308 175.328 0.071 0.000 1.093 474 H CA -0.746 55.348 56.048 0.077 0.000 1.410 474 H CB 1.333 31.149 29.762 0.089 0.000 1.439 474 H HN 0.596 nan 8.280 nan 0.000 0.469 475 V N 6.309 126.296 119.914 0.122 0.000 2.338 475 V HA 0.096 4.216 4.120 -0.000 0.000 0.255 475 V C 1.006 176.991 176.094 -0.183 0.000 1.082 475 V CA 0.483 62.776 62.300 -0.011 0.000 0.951 475 V CB 0.198 32.096 31.823 0.124 0.000 1.102 475 V HN 0.900 nan 8.190 nan 0.000 0.489 476 A N 3.385 125.950 122.820 -0.426 0.000 2.348 476 A HA 0.561 4.881 4.320 -0.000 0.000 0.224 476 A C 1.263 178.759 177.584 -0.146 0.000 1.227 476 A CA 0.750 52.561 52.037 -0.376 0.000 0.885 476 A CB -0.230 18.432 19.000 -0.563 0.000 0.933 476 A HN 0.754 nan 8.150 nan 0.000 0.506 508 P HA 0.675 nan 4.420 nan 0.000 0.302 508 P C -0.941 176.491 177.300 0.221 0.000 1.301 508 P CA -0.060 63.112 63.100 0.120 0.000 0.745 508 P CB 0.159 31.872 31.700 0.021 0.000 1.331 509 Y N -1.426 118.904 120.300 0.051 0.000 3.071 509 Y HA 0.521 5.071 4.550 -0.000 0.000 0.301 509 Y C -1.392 174.522 175.900 0.023 0.000 1.657 509 Y CA -0.722 57.425 58.100 0.079 0.000 1.078 509 Y CB 1.632 40.138 38.460 0.076 0.000 1.465 509 Y HN 0.418 nan 8.280 nan 0.000 0.496 510 E N 0.491 120.119 120.200 -0.952 0.000 2.400 510 E HA 0.541 4.891 4.350 -0.000 0.000 0.285 510 E C -1.563 174.854 176.600 -0.305 0.000 1.005 510 E CA -0.589 55.558 56.400 -0.423 0.000 0.816 510 E CB 2.053 31.513 29.700 -0.401 0.000 1.220 510 E HN 0.780 nan 8.360 nan 0.000 0.426 511 V N 2.213 122.174 119.914 0.079 0.000 2.637 511 V HA 0.304 4.424 4.120 -0.000 0.000 0.296 511 V C -2.152 173.936 176.094 -0.010 0.000 1.046 511 V CA -1.050 61.339 62.300 0.149 0.000 1.066 511 V CB -0.245 31.640 31.823 0.104 0.000 0.968 511 V HN 0.362 nan 8.190 nan 0.000 0.483 512 P HA 0.243 nan 4.420 nan 0.000 0.276 512 P C 0.323 177.601 177.300 -0.037 0.000 1.253 512 P CA -0.004 63.036 63.100 -0.100 0.000 0.766 512 P CB 0.597 32.153 31.700 -0.240 0.000 0.845 513 E N 1.031 121.229 120.200 -0.003 0.000 2.474 513 E HA 0.036 4.386 4.350 -0.000 0.000 0.195 513 E C 0.287 176.910 176.600 0.038 0.000 1.039 513 E CA 0.172 56.585 56.400 0.022 0.000 0.881 513 E CB 0.279 29.987 29.700 0.013 0.000 0.970 513 E HN 0.201 nan 8.360 nan 0.000 0.486 514 T N 1.989 116.569 114.554 0.044 0.000 4.047 514 T HA 0.214 4.564 4.350 -0.000 0.000 0.286 514 T C -2.674 172.071 174.700 0.074 0.000 0.945 514 T CA -1.114 61.019 62.100 0.055 0.000 1.079 514 T CB 0.394 69.287 68.868 0.042 0.000 1.094 514 T HN 0.012 nan 8.240 nan 0.000 0.492 515 P HA 0.344 nan 4.420 nan 0.000 0.271 515 P C 0.750 178.097 177.300 0.079 0.000 1.244 515 P CA -0.128 63.032 63.100 0.100 0.000 0.793 515 P CB 0.860 32.643 31.700 0.139 0.000 0.984 516 E N -0.635 119.599 120.200 0.057 0.000 2.112 516 E HA 0.135 4.485 4.350 -0.000 0.000 0.190 516 E C 0.262 176.880 176.600 0.029 0.000 0.979 516 E CA 0.797 57.221 56.400 0.041 0.000 0.814 516 E CB 0.006 29.718 29.700 0.019 0.000 0.762 516 E HN 0.227 nan 8.360 nan 0.000 0.460 517 L N -0.190 121.043 121.223 0.016 0.000 2.431 517 L HA 0.668 5.008 4.340 -0.000 0.000 0.266 517 L C -1.647 175.243 176.870 0.033 0.000 0.978 517 L CA -0.934 53.911 54.840 0.008 0.000 0.822 517 L CB 1.903 43.940 42.059 -0.037 0.000 1.310 517 L HN -0.068 nan 8.230 nan 0.000 0.409 518 A N 5.871 128.709 122.820 0.031 0.000 2.466 518 A HA 0.422 4.742 4.320 -0.000 0.000 0.291 518 A C -0.246 177.315 177.584 -0.039 0.000 1.234 518 A CA -0.582 51.466 52.037 0.018 0.000 0.752 518 A CB 0.387 19.436 19.000 0.082 0.000 1.153 518 A HN 0.725 nan 8.150 nan 0.000 0.458 519 I N -0.097 120.432 120.570 -0.067 0.000 2.725 519 I HA 0.178 4.348 4.170 -0.000 0.000 0.296 519 I C -1.104 174.967 176.117 -0.077 0.000 1.155 519 I CA 0.020 61.287 61.300 -0.054 0.000 1.450 519 I CB -0.120 37.860 38.000 -0.033 0.000 1.478 519 I HN 0.242 nan 8.210 nan 0.000 0.642 520 D N 5.977 126.348 120.400 -0.049 0.000 2.639 520 D HA 0.197 4.837 4.640 -0.000 0.000 0.233 520 D C 0.765 177.049 176.300 -0.027 0.000 1.161 520 D CA 0.042 54.016 54.000 -0.043 0.000 1.003 520 D CB 0.804 41.591 40.800 -0.022 0.000 1.034 520 D HN 0.764 nan 8.370 nan 0.000 0.514 521 T N -3.376 111.160 114.554 -0.030 0.000 2.762 521 T HA 0.638 4.988 4.350 -0.000 0.000 0.272 521 T C 1.046 175.734 174.700 -0.019 0.000 0.982 521 T CA -0.404 61.684 62.100 -0.018 0.000 1.013 521 T CB 1.850 70.710 68.868 -0.014 0.000 1.309 521 T HN 0.113 nan 8.240 nan 0.000 0.572 522 T N -4.652 109.894 114.554 -0.013 0.000 3.051 522 T HA 0.374 4.724 4.350 -0.000 0.000 0.254 522 T C 1.367 176.060 174.700 -0.010 0.000 0.916 522 T CA 0.444 62.537 62.100 -0.012 0.000 0.894 522 T CB -0.074 68.788 68.868 -0.009 0.000 1.251 522 T HN 1.049 nan 8.240 nan 0.000 0.517 523 G N 1.108 109.903 108.800 -0.008 0.000 4.299 523 G HA2 0.453 4.413 3.960 -0.000 0.000 0.290 523 G HA3 0.453 4.413 3.960 -0.000 0.000 0.290 523 G C 0.040 174.936 174.900 -0.006 0.000 1.019 523 G CA -0.435 44.661 45.100 -0.007 0.000 0.790 523 G HN 0.395 nan 8.290 nan 0.000 0.452 524 L N 1.740 122.959 121.223 -0.006 0.000 2.559 524 L HA 0.301 4.641 4.340 -0.000 0.000 0.282 524 L C 0.931 177.800 176.870 -0.002 0.000 1.232 524 L CA 0.211 55.049 54.840 -0.003 0.000 0.885 524 L CB 0.895 42.952 42.059 -0.002 0.000 1.131 524 L HN 0.266 nan 8.230 nan 0.000 0.498 525 A N 4.406 127.226 122.820 -0.001 0.000 2.256 525 A HA 0.400 4.720 4.320 -0.000 0.000 0.318 525 A C 1.141 178.726 177.584 0.001 0.000 1.103 525 A CA -0.711 51.325 52.037 -0.002 0.000 0.860 525 A CB 0.879 19.877 19.000 -0.003 0.000 1.182 525 A HN 0.678 nan 8.150 nan 0.000 0.501 526 I N 0.383 120.953 120.570 -0.001 0.000 2.127 526 I HA -0.221 3.949 4.170 -0.000 0.000 0.241 526 I C 1.793 177.914 176.117 0.008 0.000 1.075 526 I CA 1.893 63.194 61.300 0.002 0.000 1.334 526 I CB -1.237 36.759 38.000 -0.006 0.000 1.040 526 I HN 0.686 nan 8.210 nan 0.000 0.405 527 D N 0.852 121.254 120.400 0.004 0.000 2.154 527 D HA -0.240 4.400 4.640 -0.000 0.000 0.190 527 D C 2.122 178.426 176.300 0.007 0.000 1.003 527 D CA 1.562 55.565 54.000 0.005 0.000 0.849 527 D CB -0.303 40.498 40.800 0.002 0.000 0.942 527 D HN 0.461 nan 8.370 nan 0.000 0.446 528 E N 0.182 120.385 120.200 0.005 0.000 2.110 528 E HA -0.116 4.234 4.350 -0.000 0.000 0.193 528 E C 2.087 178.692 176.600 0.008 0.000 0.988 528 E CA 1.026 57.428 56.400 0.005 0.000 0.804 528 E CB -0.067 29.635 29.700 0.003 0.000 0.745 528 E HN 0.250 nan 8.360 nan 0.000 0.458 529 A N 0.877 123.706 122.820 0.015 0.000 1.873 529 A HA -0.121 4.199 4.320 -0.000 0.000 0.215 529 A C 2.511 180.117 177.584 0.037 0.000 1.186 529 A CA 0.986 53.039 52.037 0.026 0.000 0.616 529 A CB -0.713 18.309 19.000 0.037 0.000 0.823 529 A HN 0.111 nan 8.150 nan 0.000 0.442 530 V N 0.120 120.059 119.914 0.042 0.000 2.282 530 V HA -0.334 3.786 4.120 -0.000 0.000 0.249 530 V C 2.816 178.925 176.094 0.024 0.000 1.057 530 V CA 2.574 64.903 62.300 0.049 0.000 1.032 530 V CB -0.753 31.093 31.823 0.039 0.000 0.645 530 V HN 0.723 nan 8.190 nan 0.000 0.447 531 Q N 0.031 119.836 119.800 0.009 0.000 2.050 531 Q HA -0.260 4.080 4.340 -0.000 0.000 0.202 531 Q C 2.171 178.157 176.000 -0.024 0.000 0.980 531 Q CA 2.215 58.014 55.803 -0.007 0.000 0.840 531 Q CB -0.561 28.173 28.738 -0.006 0.000 0.898 531 Q HN 0.639 nan 8.270 nan 0.000 0.424 532 Q N 0.211 120.002 119.800 -0.016 0.000 2.181 532 Q HA -0.128 4.212 4.340 -0.000 0.000 0.205 532 Q C 1.896 177.870 176.000 -0.043 0.000 0.980 532 Q CA 1.999 57.786 55.803 -0.026 0.000 0.862 532 Q CB -0.436 28.296 28.738 -0.010 0.000 0.905 532 Q HN 0.744 nan 8.270 nan 0.000 0.429 533 I N -3.585 116.968 120.570 -0.028 0.000 2.716 533 I HA -0.063 4.107 4.170 -0.000 0.000 0.259 533 I C 1.637 177.721 176.117 -0.055 0.000 1.172 533 I CA 0.712 61.985 61.300 -0.045 0.000 1.478 533 I CB -0.374 37.601 38.000 -0.041 0.000 1.104 533 I HN 0.097 nan 8.210 nan 0.000 0.439 534 L N 0.949 122.147 121.223 -0.042 0.000 2.141 534 L HA -0.135 4.205 4.340 -0.000 0.000 0.209 534 L C 2.702 179.494 176.870 -0.130 0.000 1.094 534 L CA 1.168 55.977 54.840 -0.051 0.000 0.763 534 L CB -0.465 41.578 42.059 -0.026 0.000 0.908 534 L HN 0.300 nan 8.230 nan 0.000 0.437 535 L N 0.221 121.337 121.223 -0.178 0.000 2.046 535 L HA -0.278 4.062 4.340 -0.000 0.000 0.208 535 L C 3.230 179.830 176.870 -0.450 0.000 1.077 535 L CA 1.903 56.514 54.840 -0.382 0.000 0.747 535 L CB -0.710 41.176 42.059 -0.289 0.000 0.896 535 L HN 0.265 nan 8.230 nan 0.000 0.432 536 K N 0.438 120.713 120.400 -0.208 0.000 1.985 536 K HA -0.168 4.152 4.320 -0.000 0.000 0.210 536 K C 1.837 178.385 176.600 -0.087 0.000 1.047 536 K CA 1.880 58.100 56.287 -0.112 0.000 0.932 536 K CB -1.448 31.015 32.500 -0.063 0.000 0.716 536 K HN 0.317 nan 8.250 nan 0.000 0.439 537 L N 0.793 121.966 121.223 -0.083 0.000 2.043 537 L HA -0.221 4.119 4.340 -0.000 0.000 0.212 537 L C 3.314 180.148 176.870 -0.058 0.000 1.075 537 L CA 2.240 57.045 54.840 -0.059 0.000 0.752 537 L CB -1.110 40.902 42.059 -0.077 0.000 0.891 537 L HN 0.683 nan 8.230 nan 0.000 0.432 538 E N -0.109 120.028 120.200 -0.105 0.000 2.051 538 E HA -0.260 4.090 4.350 -0.000 0.000 0.192 538 E C 1.847 178.469 176.600 0.036 0.000 0.991 538 E CA 1.865 58.225 56.400 -0.066 0.000 0.799 538 E CB -1.204 28.425 29.700 -0.119 0.000 0.748 538 E HN 0.745 nan 8.360 nan 0.000 0.449 539 H N -1.424 117.621 119.070 -0.041 0.000 2.502 539 H HA 0.140 4.696 4.556 -0.000 0.000 0.283 539 H C 1.927 177.212 175.328 -0.072 0.000 1.015 539 H CA 0.832 56.851 56.048 -0.049 0.000 1.298 539 H CB 0.499 30.242 29.762 -0.031 0.000 1.411 539 H HN 0.395 nan 8.280 nan 0.000 0.556 540 E N -0.040 120.182 120.200 0.037 0.000 2.435 540 E HA 0.012 4.362 4.350 -0.000 0.000 0.195 540 E C 1.522 177.942 176.600 -0.299 0.000 1.029 540 E CA 0.640 57.007 56.400 -0.055 0.000 0.865 540 E CB 0.211 29.957 29.700 0.077 0.000 0.833 540 E HN 0.555 nan 8.360 nan 0.000 0.510 541 G N -0.788 107.860 108.800 -0.252 0.000 2.179 541 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.220 541 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.220 541 G C 0.612 175.284 174.900 -0.380 0.000 0.990 541 G CA 0.251 45.155 45.100 -0.326 0.000 0.646 541 G HN 0.302 nan 8.290 nan 0.000 0.517 542 Y N 0.639 120.802 120.300 -0.230 0.000 2.516 542 Y HA 0.429 4.979 4.550 -0.000 0.000 0.291 542 Y C 1.890 177.668 175.900 -0.205 0.000 1.131 542 Y CA 0.414 58.306 58.100 -0.347 0.000 1.281 542 Y CB 0.170 38.088 38.460 -0.903 0.000 1.013 542 Y HN 0.245 nan 8.280 nan 0.000 0.554 543 L N 0.299 121.509 121.223 -0.020 0.000 2.350 543 L HA 0.593 4.933 4.340 -0.000 0.000 0.275 543 L C 0.762 177.640 176.870 0.013 0.000 1.099 543 L CA -0.511 54.343 54.840 0.024 0.000 0.808 543 L CB 0.704 42.771 42.059 0.012 0.000 1.149 543 L HN 0.056 nan 8.230 nan 0.000 0.442 544 R N 0.000 120.519 120.500 0.031 0.000 2.786 544 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 544 R CA 0.000 56.108 56.100 0.014 0.000 0.921 544 R CB 0.000 30.315 30.300 0.026 0.000 0.687 544 R HN 0.000 nan 8.270 nan 0.000 0.535