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 3kl1_1_A DATA FIRST_RESID 10 DATA SEQUENCE LTDEEQKTLE PVIKTYHQFE PDPTTCTSLI TQRIHAPASV VWPLIRRFDN DATA SEQUENCE PERYKHFVKR CRLISGDGDV GSVREVTVIS GLPASTSTER LEFVDDDHRV DATA SEQUENCE LSFRVVGGEH RLKNYKSVTS VNEFLNXDSG KVYTVVLESY TVDIPEGNTE DATA SEQUENCE EDTKMFVDTV VKLNLQKLGV AATSAPM 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 10 L HA 0.000 nan 4.340 nan 0.000 0.249 10 L C 0.000 176.844 176.870 -0.044 0.000 1.165 10 L CA 0.000 54.805 54.840 -0.059 0.000 0.813 10 L CB 0.000 42.026 42.059 -0.054 0.000 0.961 11 T N -3.743 110.778 114.554 -0.055 0.000 2.813 11 T HA 0.127 4.477 4.350 0.000 0.000 0.297 11 T C 0.600 175.294 174.700 -0.009 0.000 1.036 11 T CA -0.399 61.684 62.100 -0.028 0.000 1.044 11 T CB 0.910 69.762 68.868 -0.026 0.000 0.993 11 T HN 0.594 nan 8.240 nan 0.000 0.535 12 D N 1.023 121.426 120.400 0.006 0.000 2.219 12 D HA -0.066 4.574 4.640 0.000 0.000 0.205 12 D C 1.807 178.128 176.300 0.036 0.000 0.970 12 D CA 1.120 55.131 54.000 0.018 0.000 0.851 12 D CB 0.005 40.815 40.800 0.017 0.000 0.943 12 D HN 0.747 nan 8.370 nan 0.000 0.488 13 E N 0.805 121.031 120.200 0.043 0.000 2.208 13 E HA -0.097 4.254 4.350 0.000 0.000 0.193 13 E C 1.817 178.491 176.600 0.124 0.000 0.988 13 E CA 0.657 57.103 56.400 0.077 0.000 0.828 13 E CB -0.036 29.715 29.700 0.085 0.000 0.763 13 E HN 0.408 nan 8.360 nan 0.000 0.478 14 E N 0.246 120.490 120.200 0.072 0.000 2.122 14 E HA -0.140 4.210 4.350 0.000 0.000 0.190 14 E C 2.002 178.675 176.600 0.121 0.000 0.977 14 E CA 0.544 56.988 56.400 0.074 0.000 0.820 14 E CB 0.032 29.599 29.700 -0.221 0.000 0.770 14 E HN 0.134 nan 8.360 nan 0.000 0.462 15 Q N 1.428 121.264 119.800 0.061 0.000 2.124 15 Q HA -0.176 4.164 4.340 0.000 0.000 0.202 15 Q C 1.843 177.886 176.000 0.072 0.000 0.977 15 Q CA 1.446 57.283 55.803 0.057 0.000 0.850 15 Q CB 0.232 28.989 28.738 0.031 0.000 0.901 15 Q HN -0.015 nan 8.270 nan 0.000 0.429 16 K N -0.656 119.788 120.400 0.075 0.000 2.002 16 K HA -0.130 4.190 4.320 0.000 0.000 0.209 16 K C 2.272 178.918 176.600 0.076 0.000 1.048 16 K CA 1.799 58.124 56.287 0.064 0.000 0.930 16 K CB -0.887 31.647 32.500 0.057 0.000 0.714 16 K HN 0.303 nan 8.250 nan 0.000 0.438 17 T N 0.963 115.587 114.554 0.116 0.000 2.995 17 T HA -0.050 4.300 4.350 0.000 0.000 0.269 17 T C 1.604 176.372 174.700 0.113 0.000 1.091 17 T CA 0.490 62.651 62.100 0.102 0.000 1.128 17 T CB 0.100 69.037 68.868 0.116 0.000 0.891 17 T HN -0.089 nan 8.240 nan 0.000 0.492 18 L N 1.094 122.416 121.223 0.165 0.000 2.446 18 L HA 0.348 4.689 4.340 0.000 0.000 0.219 18 L C 2.290 179.225 176.870 0.108 0.000 1.116 18 L CA 1.010 55.946 54.840 0.160 0.000 0.844 18 L CB -1.005 41.163 42.059 0.181 0.000 0.970 18 L HN 0.469 nan 8.230 nan 0.000 0.457 19 E N 0.896 121.142 120.200 0.078 0.000 2.065 19 E HA -0.228 4.122 4.350 0.000 0.000 0.201 19 E C -0.669 175.951 176.600 0.033 0.000 1.016 19 E CA 1.951 58.380 56.400 0.048 0.000 0.818 19 E CB -0.465 29.255 29.700 0.033 0.000 0.749 19 E HN 0.288 nan 8.360 nan 0.000 0.453 20 P HA -0.109 nan 4.420 nan 0.000 0.220 20 P C 1.522 178.822 177.300 -0.000 0.000 1.148 20 P CA 0.972 64.070 63.100 -0.003 0.000 0.803 20 P CB 0.050 31.750 31.700 -0.000 0.000 0.782 21 V N 0.328 120.285 119.914 0.072 0.000 2.379 21 V HA -0.183 3.937 4.120 0.000 0.000 0.245 21 V C 2.722 178.903 176.094 0.145 0.000 1.044 21 V CA 1.368 63.763 62.300 0.159 0.000 1.036 21 V CB -0.947 31.001 31.823 0.209 0.000 0.664 21 V HN -0.019 nan 8.190 nan 0.000 0.453 22 I N -0.152 120.510 120.570 0.154 0.000 2.142 22 I HA -0.252 3.918 4.170 0.000 0.000 0.240 22 I C 2.533 178.655 176.117 0.008 0.000 1.078 22 I CA 1.533 62.933 61.300 0.168 0.000 1.343 22 I CB -0.367 37.700 38.000 0.112 0.000 1.046 22 I HN 0.216 nan 8.210 nan 0.000 0.405 23 K N 0.425 120.803 120.400 -0.037 0.000 2.147 23 K HA -0.108 4.212 4.320 0.000 0.000 0.205 23 K C 1.955 178.437 176.600 -0.195 0.000 1.049 23 K CA 1.503 57.734 56.287 -0.094 0.000 0.936 23 K CB -0.517 31.937 32.500 -0.076 0.000 0.722 23 K HN 0.308 nan 8.250 nan 0.000 0.446 24 T N -1.070 113.309 114.554 -0.291 0.000 2.976 24 T HA 0.025 4.375 4.350 0.000 0.000 0.257 24 T C 0.975 175.211 174.700 -0.773 0.000 1.051 24 T CA 0.962 62.724 62.100 -0.563 0.000 1.141 24 T CB -0.103 68.288 68.868 -0.795 0.000 0.881 24 T HN 0.120 nan 8.240 nan 0.000 0.461 25 Y N -0.435 119.628 120.300 -0.395 0.000 2.589 25 Y HA 0.276 4.826 4.550 0.000 0.000 0.271 25 Y C 1.695 177.127 175.900 -0.780 0.000 1.107 25 Y CA -0.093 57.637 58.100 -0.617 0.000 1.273 25 Y CB 0.334 38.345 38.460 -0.748 0.000 1.266 25 Y HN 0.250 nan 8.280 nan 0.000 0.504 26 H N -0.305 118.634 119.070 -0.217 0.000 2.488 26 H HA 0.298 4.854 4.556 0.000 0.000 0.294 26 H C -0.261 174.791 175.328 -0.461 0.000 1.088 26 H CA -0.028 55.774 56.048 -0.411 0.000 1.086 26 H CB 0.342 29.982 29.762 -0.203 0.000 1.569 26 H HN 0.178 nan 8.280 nan 0.000 0.548 27 Q N 1.695 121.290 119.800 -0.341 0.000 2.425 27 Q HA 0.357 4.697 4.340 0.000 0.000 0.254 27 Q C -1.177 174.782 176.000 -0.068 0.000 1.032 27 Q CA -0.497 55.211 55.803 -0.157 0.000 0.798 27 Q CB 0.170 28.844 28.738 -0.106 0.000 1.210 27 Q HN 0.378 nan 8.270 nan 0.000 0.491 28 F N 0.691 120.612 119.950 -0.049 0.000 2.604 28 F HA 0.873 5.400 4.527 0.000 0.000 0.316 28 F C -0.582 175.185 175.800 -0.054 0.000 1.136 28 F CA -1.052 56.916 58.000 -0.054 0.000 0.989 28 F CB 1.782 40.746 39.000 -0.060 0.000 1.258 28 F HN 0.223 nan 8.300 nan 0.000 0.451 29 E N 1.739 122.017 120.200 0.129 0.000 2.100 29 E HA 0.250 4.600 4.350 0.000 0.000 0.252 29 E C -3.084 173.522 176.600 0.010 0.000 1.526 29 E CA -0.667 55.738 56.400 0.009 0.000 0.947 29 E CB 0.999 30.711 29.700 0.020 0.000 1.510 29 E HN 0.693 nan 8.360 nan 0.000 0.472 30 P HA 0.630 nan 4.420 nan 0.000 0.307 30 P C -1.523 175.759 177.300 -0.031 0.000 1.450 30 P CA -0.510 62.577 63.100 -0.022 0.000 1.026 30 P CB 1.227 32.922 31.700 -0.010 0.000 1.040 31 D N 4.155 124.526 120.400 -0.048 0.000 2.649 31 D HA 0.189 4.829 4.640 0.000 0.000 0.249 31 D C -1.799 174.480 176.300 -0.035 0.000 1.112 31 D CA -1.206 52.769 54.000 -0.042 0.000 0.850 31 D CB 2.801 43.567 40.800 -0.057 0.000 1.399 31 D HN 0.213 nan 8.370 nan 0.000 0.503 32 P HA -0.062 nan 4.420 nan 0.000 0.231 32 P C 0.983 178.275 177.300 -0.012 0.000 1.168 32 P CA 0.744 63.835 63.100 -0.015 0.000 0.779 32 P CB 0.250 31.944 31.700 -0.009 0.000 0.844 33 T N -4.318 110.227 114.554 -0.015 0.000 3.086 33 T HA 0.172 4.523 4.350 0.000 0.000 0.250 33 T C 0.507 175.200 174.700 -0.013 0.000 1.074 33 T CA 0.043 62.137 62.100 -0.010 0.000 0.988 33 T CB -0.513 68.350 68.868 -0.008 0.000 0.988 33 T HN -0.087 nan 8.240 nan 0.000 0.530 34 T N 1.661 116.199 114.554 -0.027 0.000 2.901 34 T HA 0.628 4.978 4.350 0.000 0.000 0.293 34 T C -0.551 174.126 174.700 -0.038 0.000 1.084 34 T CA -0.715 61.362 62.100 -0.038 0.000 1.008 34 T CB 1.550 70.365 68.868 -0.087 0.000 1.170 34 T HN 0.613 nan 8.240 nan 0.000 0.509 35 C N 1.037 120.324 119.300 -0.023 0.000 2.498 35 C HA 0.980 5.440 4.460 0.000 0.000 0.316 35 C C -0.001 174.925 174.990 -0.106 0.000 1.209 35 C CA -0.786 58.221 59.018 -0.019 0.000 1.518 35 C CB 0.431 28.211 27.740 0.068 0.000 2.147 35 C HN 1.050 nan 8.230 nan 0.000 0.483 36 T N 0.028 114.456 114.554 -0.211 0.000 2.900 36 T HA 0.821 5.172 4.350 0.000 0.000 0.295 36 T C -0.621 173.819 174.700 -0.433 0.000 1.044 36 T CA -0.303 61.544 62.100 -0.422 0.000 0.995 36 T CB 1.688 70.373 68.868 -0.306 0.000 1.072 36 T HN 1.438 nan 8.240 nan 0.000 0.473 37 S N 0.656 115.930 115.700 -0.710 0.000 2.596 37 S HA 0.703 5.173 4.470 0.000 0.000 0.270 37 S C -2.234 172.219 174.600 -0.246 0.000 1.155 37 S CA -0.833 57.132 58.200 -0.391 0.000 0.827 37 S CB 1.623 64.665 63.200 -0.263 0.000 1.130 37 S HN 1.014 nan 8.310 nan 0.000 0.467 38 L N 4.036 125.210 121.223 -0.081 0.000 2.342 38 L HA 0.685 5.026 4.340 0.000 0.000 0.276 38 L C -1.530 175.335 176.870 -0.007 0.000 0.997 38 L CA -0.445 54.362 54.840 -0.055 0.000 0.838 38 L CB 1.158 43.170 42.059 -0.078 0.000 1.224 38 L HN 0.586 nan 8.230 nan 0.000 0.416 39 I N 3.671 124.261 120.570 0.033 0.000 2.437 39 I HA 0.525 4.695 4.170 0.000 0.000 0.298 39 I C 0.481 176.605 176.117 0.012 0.000 0.984 39 I CA -0.261 61.073 61.300 0.057 0.000 1.214 39 I CB 1.685 39.761 38.000 0.128 0.000 1.365 39 I HN 0.721 nan 8.210 nan 0.000 0.469 40 T N 2.746 117.306 114.554 0.010 0.000 2.912 40 T HA 0.709 5.059 4.350 0.000 0.000 0.288 40 T C -0.652 174.053 174.700 0.009 0.000 1.030 40 T CA -0.749 61.349 62.100 -0.003 0.000 1.020 40 T CB 2.563 71.420 68.868 -0.019 0.000 1.056 40 T HN 0.444 nan 8.240 nan 0.000 0.480 41 Q N 1.154 120.957 119.800 0.006 0.000 2.275 41 Q HA 0.356 4.696 4.340 0.000 0.000 0.258 41 Q C -1.179 174.807 176.000 -0.024 0.000 0.960 41 Q CA -0.415 55.389 55.803 0.001 0.000 0.801 41 Q CB 1.694 30.450 28.738 0.030 0.000 1.302 41 Q HN 0.820 nan 8.270 nan 0.000 0.433 42 R N 4.786 125.240 120.500 -0.076 0.000 2.234 42 R HA 0.524 4.864 4.340 0.000 0.000 0.324 42 R C -0.840 175.332 176.300 -0.213 0.000 1.054 42 R CA -0.138 55.871 56.100 -0.152 0.000 0.912 42 R CB 0.416 30.557 30.300 -0.265 0.000 1.030 42 R HN 0.721 nan 8.270 nan 0.000 0.455 43 I N 4.410 124.886 120.570 -0.157 0.000 2.406 43 I HA 0.194 4.364 4.170 0.000 0.000 0.290 43 I C -0.016 176.010 176.117 -0.151 0.000 0.999 43 I CA -0.926 60.298 61.300 -0.126 0.000 1.124 43 I CB 1.782 39.779 38.000 -0.005 0.000 1.289 43 I HN 0.544 nan 8.210 nan 0.000 0.441 44 H N 6.239 125.350 119.070 0.070 0.000 2.923 44 H HA 0.601 5.157 4.556 0.000 0.000 0.251 44 H C -0.285 175.098 175.328 0.091 0.000 1.741 44 H CA -0.109 55.993 56.048 0.091 0.000 1.387 44 H CB 0.150 29.932 29.762 0.033 0.000 1.740 44 H HN 0.681 nan 8.280 nan 0.000 0.544 45 A N 3.112 126.033 122.820 0.168 0.000 2.605 45 A HA 0.477 4.798 4.320 0.000 0.000 0.294 45 A C -2.962 174.685 177.584 0.105 0.000 1.062 45 A CA -1.607 50.502 52.037 0.121 0.000 0.682 45 A CB 1.437 20.490 19.000 0.088 0.000 1.278 45 A HN 0.103 nan 8.150 nan 0.000 0.410 46 P HA 0.254 nan 4.420 nan 0.000 0.267 46 P C 0.909 178.243 177.300 0.055 0.000 1.200 46 P CA 0.743 63.878 63.100 0.058 0.000 0.772 46 P CB 0.818 32.545 31.700 0.045 0.000 0.855 47 A N 2.364 125.204 122.820 0.033 0.000 2.067 47 A HA -0.134 4.186 4.320 0.000 0.000 0.219 47 A C 1.992 179.620 177.584 0.074 0.000 1.158 47 A CA 1.827 53.886 52.037 0.037 0.000 0.661 47 A CB -1.439 17.545 19.000 -0.026 0.000 0.801 47 A HN 0.594 nan 8.150 nan 0.000 0.452 48 S N -0.808 114.927 115.700 0.059 0.000 2.481 48 S HA -0.034 4.436 4.470 0.000 0.000 0.231 48 S C 1.485 176.152 174.600 0.111 0.000 0.996 48 S CA 1.231 59.486 58.200 0.092 0.000 0.942 48 S CB -0.322 62.909 63.200 0.053 0.000 0.768 48 S HN 0.232 nan 8.310 nan 0.000 0.520 49 V N 0.903 120.868 119.914 0.086 0.000 2.825 49 V HA 0.060 4.181 4.120 0.000 0.000 0.246 49 V C 2.486 178.622 176.094 0.069 0.000 1.068 49 V CA 0.799 63.140 62.300 0.068 0.000 1.088 49 V CB -0.166 31.689 31.823 0.053 0.000 0.733 49 V HN 0.410 nan 8.190 nan 0.000 0.468 50 V N -0.476 119.491 119.914 0.088 0.000 2.323 50 V HA -0.252 3.868 4.120 0.000 0.000 0.244 50 V C 2.105 178.268 176.094 0.115 0.000 1.041 50 V CA 2.223 64.567 62.300 0.074 0.000 1.025 50 V CB -0.727 31.144 31.823 0.080 0.000 0.656 50 V HN 0.754 nan 8.190 nan 0.000 0.451 51 W N 1.901 123.173 121.300 -0.048 0.000 2.302 51 W HA -0.223 4.437 4.660 0.001 0.000 0.320 51 W C -0.375 176.122 176.519 -0.037 0.000 1.241 51 W CA 2.072 59.391 57.345 -0.044 0.000 1.264 51 W CB -1.423 28.020 29.460 -0.028 0.000 1.154 51 W HN 0.332 nan 8.180 nan 0.000 0.483 52 P HA -0.229 nan 4.420 nan 0.000 0.216 52 P C 1.759 178.934 177.300 -0.207 0.000 1.150 52 P CA 2.095 65.066 63.100 -0.214 0.000 0.843 52 P CB -0.433 31.230 31.700 -0.060 0.000 0.787 53 L N -1.738 119.397 121.223 -0.147 0.000 2.093 53 L HA -0.126 4.214 4.340 0.000 0.000 0.208 53 L C 2.323 179.086 176.870 -0.177 0.000 1.085 53 L CA 1.311 56.079 54.840 -0.121 0.000 0.755 53 L CB -0.617 41.373 42.059 -0.115 0.000 0.904 53 L HN -0.045 nan 8.230 nan 0.000 0.435 54 I N -1.151 119.223 120.570 -0.325 0.000 2.584 54 I HA -0.154 4.017 4.170 0.000 0.000 0.255 54 I C 2.645 178.600 176.117 -0.271 0.000 1.145 54 I CA 0.617 61.735 61.300 -0.304 0.000 1.462 54 I CB -0.209 37.633 38.000 -0.264 0.000 1.102 54 I HN 0.152 nan 8.210 nan 0.000 0.433 55 R N 1.026 121.180 120.500 -0.577 0.000 2.148 55 R HA -0.080 4.260 4.340 0.000 0.000 0.227 55 R C 1.124 177.294 176.300 -0.216 0.000 1.103 55 R CA 0.422 56.157 56.100 -0.608 0.000 0.983 55 R CB 0.014 29.730 30.300 -0.974 0.000 0.874 55 R HN 0.023 nan 8.270 nan 0.000 0.451 56 R N 0.917 121.339 120.500 -0.131 0.000 2.878 56 R HA -0.047 4.293 4.340 0.000 0.000 0.239 56 R C 0.625 176.951 176.300 0.042 0.000 1.515 56 R CA -0.080 56.001 56.100 -0.032 0.000 1.210 56 R CB -0.721 29.556 30.300 -0.038 0.000 1.209 56 R HN 0.031 nan 8.270 nan 0.000 0.610 57 F N 2.014 121.911 119.950 -0.088 0.000 2.120 57 F HA -0.264 4.263 4.527 -0.000 0.000 0.300 57 F C 1.626 177.377 175.800 -0.082 0.000 1.095 57 F CA 2.392 60.345 58.000 -0.079 0.000 1.249 57 F CB 0.162 39.126 39.000 -0.061 0.000 0.995 57 F HN 0.614 nan 8.300 nan 0.000 0.480 58 D N -1.376 119.001 120.400 -0.039 0.000 2.324 58 D HA -0.091 4.549 4.640 0.000 0.000 0.235 58 D C 0.156 176.378 176.300 -0.131 0.000 1.095 58 D CA 0.265 54.192 54.000 -0.123 0.000 0.871 58 D CB -1.270 39.515 40.800 -0.024 0.000 0.906 58 D HN 0.472 nan 8.370 nan 0.000 0.522 59 N N 0.605 119.231 118.700 -0.123 0.000 2.646 59 N HA 0.114 4.854 4.740 0.000 0.000 0.303 59 N C -1.942 173.502 175.510 -0.110 0.000 1.921 59 N CA -1.196 51.794 53.050 -0.100 0.000 0.872 59 N CB 1.149 39.605 38.487 -0.052 0.000 1.327 59 N HN -0.098 nan 8.380 nan 0.000 0.492 60 P HA -0.144 nan 4.420 nan 0.000 0.223 60 P C 1.046 178.159 177.300 -0.312 0.000 1.151 60 P CA 1.027 63.949 63.100 -0.296 0.000 0.787 60 P CB 0.389 31.845 31.700 -0.406 0.000 0.788 61 E N 1.030 121.104 120.200 -0.210 0.000 2.160 61 E HA -0.204 4.146 4.350 0.000 0.000 0.195 61 E C 2.108 178.618 176.600 -0.151 0.000 0.991 61 E CA 1.191 57.483 56.400 -0.180 0.000 0.810 61 E CB -0.668 28.957 29.700 -0.125 0.000 0.742 61 E HN -0.024 nan 8.360 nan 0.000 0.466 62 R N -0.571 119.878 120.500 -0.084 0.000 2.200 62 R HA -0.153 4.187 4.340 0.000 0.000 0.234 62 R C 1.317 177.640 176.300 0.038 0.000 1.127 62 R CA 1.626 57.716 56.100 -0.017 0.000 0.989 62 R CB -0.325 29.991 30.300 0.026 0.000 0.869 62 R HN 0.611 nan 8.270 nan 0.000 0.459 63 Y N -2.111 118.116 120.300 -0.122 0.000 2.610 63 Y HA 0.462 5.013 4.550 0.000 0.000 0.254 63 Y C -0.404 175.393 175.900 -0.172 0.000 1.110 63 Y CA -0.853 57.171 58.100 -0.126 0.000 1.238 63 Y CB 0.459 38.880 38.460 -0.065 0.000 1.322 63 Y HN -0.321 nan 8.280 nan 0.000 0.547 64 K N 1.371 121.467 120.400 -0.507 0.000 2.259 64 K HA 0.348 4.668 4.320 0.000 0.000 0.249 64 K C -0.921 175.447 176.600 -0.387 0.000 0.942 64 K CA -0.933 55.071 56.287 -0.471 0.000 0.816 64 K CB 1.497 33.689 32.500 -0.513 0.000 1.155 64 K HN 0.157 nan 8.250 nan 0.000 0.428 65 H N 1.043 119.991 119.070 -0.202 0.000 2.495 65 H HA 0.187 4.744 4.556 0.000 0.000 0.350 65 H C 0.156 175.335 175.328 -0.248 0.000 1.202 65 H CA -0.066 55.751 56.048 -0.386 0.000 1.322 65 H CB 0.539 29.900 29.762 -0.667 0.000 1.544 65 H HN 0.586 nan 8.280 nan 0.000 0.565 66 F N -1.637 118.362 119.950 0.082 0.000 2.988 66 F HA -0.219 4.308 4.527 0.000 0.000 0.287 66 F C -0.107 175.676 175.800 -0.030 0.000 0.781 66 F CA 0.042 58.052 58.000 0.018 0.000 1.221 66 F CB -2.225 36.788 39.000 0.021 0.000 1.392 66 F HN 0.106 nan 8.300 nan 0.000 0.425 67 V N 0.749 120.684 119.914 0.036 0.000 2.370 67 V HA 0.200 4.320 4.120 0.000 0.000 0.279 67 V C 1.192 177.270 176.094 -0.026 0.000 1.029 67 V CA -0.483 61.805 62.300 -0.020 0.000 0.870 67 V CB 1.733 33.496 31.823 -0.100 0.000 0.984 67 V HN 0.300 nan 8.190 nan 0.000 0.451 68 K N 4.287 124.678 120.400 -0.015 0.000 2.067 68 K HA 0.109 4.429 4.320 0.000 0.000 0.203 68 K C 0.715 177.294 176.600 -0.035 0.000 1.048 68 K CA 0.728 57.004 56.287 -0.018 0.000 0.954 68 K CB 0.393 32.889 32.500 -0.007 0.000 0.737 68 K HN 0.810 nan 8.250 nan 0.000 0.444 69 R N -1.642 118.830 120.500 -0.046 0.000 2.733 69 R HA 0.466 4.806 4.340 0.000 0.000 0.272 69 R C -1.790 174.466 176.300 -0.072 0.000 1.029 69 R CA -0.978 55.090 56.100 -0.054 0.000 0.888 69 R CB 1.311 31.587 30.300 -0.040 0.000 1.251 69 R HN 0.068 nan 8.270 nan 0.000 0.464 70 C N 0.685 119.937 119.300 -0.080 0.000 3.090 70 C HA 0.841 5.301 4.460 0.000 0.000 0.347 70 C C -1.727 173.212 174.990 -0.085 0.000 1.147 70 C CA -0.421 58.535 59.018 -0.103 0.000 1.305 70 C CB 1.268 28.914 27.740 -0.157 0.000 1.692 70 C HN 1.017 nan 8.230 nan 0.000 0.506 71 R N 4.652 125.106 120.500 -0.077 0.000 2.680 71 R HA 0.661 5.001 4.340 0.000 0.000 0.269 71 R C -1.625 174.652 176.300 -0.038 0.000 1.026 71 R CA -0.898 55.172 56.100 -0.050 0.000 0.889 71 R CB 1.143 31.425 30.300 -0.030 0.000 1.241 71 R HN 0.617 nan 8.270 nan 0.000 0.463 72 L N 2.944 124.160 121.223 -0.010 0.000 2.326 72 L HA 0.385 4.726 4.340 0.000 0.000 0.278 72 L C 1.381 178.266 176.870 0.025 0.000 1.092 72 L CA -0.305 54.550 54.840 0.026 0.000 0.810 72 L CB 1.069 43.161 42.059 0.056 0.000 1.153 72 L HN 0.754 nan 8.230 nan 0.000 0.439 73 I N -1.037 119.555 120.570 0.037 0.000 4.057 73 I HA 0.241 4.411 4.170 0.000 0.000 0.334 73 I C 0.372 176.510 176.117 0.034 0.000 1.308 73 I CA -0.063 61.255 61.300 0.029 0.000 1.125 73 I CB 0.525 38.542 38.000 0.028 0.000 1.034 73 I HN 0.567 nan 8.210 nan 0.000 0.401 74 S N -0.065 115.663 115.700 0.046 0.000 2.552 74 S HA 0.744 5.214 4.470 0.000 0.000 0.272 74 S C -0.184 174.444 174.600 0.047 0.000 1.150 74 S CA -0.143 58.081 58.200 0.040 0.000 0.849 74 S CB 1.335 64.557 63.200 0.036 0.000 1.113 74 S HN 1.185 nan 8.310 nan 0.000 0.458 75 G N 1.263 110.082 108.800 0.031 0.000 2.760 75 G HA2 0.027 3.987 3.960 0.000 0.000 0.246 75 G HA3 0.027 3.987 3.960 0.000 0.000 0.246 75 G C -0.702 174.217 174.900 0.032 0.000 1.359 75 G CA 0.229 45.344 45.100 0.025 0.000 0.861 75 G HN 0.894 nan 8.290 nan 0.000 0.541 76 D N 0.305 120.721 120.400 0.027 0.000 2.562 76 D HA 0.413 5.054 4.640 0.000 0.000 0.246 76 D C 1.500 177.823 176.300 0.038 0.000 1.347 76 D CA 1.309 55.326 54.000 0.029 0.000 0.800 76 D CB 0.540 41.349 40.800 0.016 0.000 1.111 76 D HN 1.912 nan 8.370 nan 0.000 0.508 77 G N 0.953 109.785 108.800 0.052 0.000 2.229 77 G HA2 -0.173 3.787 3.960 0.000 0.000 0.189 77 G HA3 -0.173 3.787 3.960 0.000 0.000 0.189 77 G C -0.004 174.890 174.900 -0.010 0.000 1.000 77 G CA -0.434 44.705 45.100 0.065 0.000 0.663 77 G HN 0.174 nan 8.290 nan 0.000 0.493 78 D N 0.321 120.699 120.400 -0.037 0.000 2.388 78 D HA 0.477 5.117 4.640 0.000 0.000 0.254 78 D C 0.987 177.208 176.300 -0.131 0.000 1.111 78 D CA -0.414 53.548 54.000 -0.064 0.000 0.993 78 D CB 1.810 42.591 40.800 -0.031 0.000 1.118 78 D HN 0.061 nan 8.370 nan 0.000 0.502 79 V N 0.523 120.366 119.914 -0.119 0.000 2.752 79 V HA 0.213 4.333 4.120 0.000 0.000 0.306 79 V C 1.583 177.594 176.094 -0.139 0.000 1.099 79 V CA 1.763 63.973 62.300 -0.150 0.000 1.240 79 V CB 0.344 32.115 31.823 -0.087 0.000 0.887 79 V HN 1.015 nan 8.190 nan 0.000 0.499 80 G N 3.457 112.155 108.800 -0.170 0.000 2.213 80 G HA2 -0.235 3.726 3.960 0.000 0.000 0.236 80 G HA3 -0.235 3.726 3.960 0.000 0.000 0.236 80 G C 0.390 175.244 174.900 -0.077 0.000 0.991 80 G CA 0.121 45.156 45.100 -0.108 0.000 0.629 80 G HN 0.787 nan 8.290 nan 0.000 0.517 81 S N -0.438 115.191 115.700 -0.120 0.000 2.579 81 S HA 0.528 4.998 4.470 0.000 0.000 0.275 81 S C 0.286 174.961 174.600 0.126 0.000 1.345 81 S CA 0.240 58.437 58.200 -0.005 0.000 1.031 81 S CB 1.966 65.181 63.200 0.025 0.000 0.892 81 S HN 0.901 nan 8.310 nan 0.000 0.529 82 V N 3.597 123.636 119.914 0.210 0.000 2.531 82 V HA 0.514 4.635 4.120 0.000 0.000 0.301 82 V C -0.045 176.169 176.094 0.200 0.000 1.034 82 V CA -0.907 61.540 62.300 0.246 0.000 0.865 82 V CB 1.536 33.439 31.823 0.132 0.000 0.995 82 V HN 0.918 nan 8.190 nan 0.000 0.424 83 R N 2.679 123.268 120.500 0.149 0.000 2.778 83 R HA 0.732 5.072 4.340 0.000 0.000 0.277 83 R C -0.871 175.399 176.300 -0.050 0.000 0.977 83 R CA -0.792 55.287 56.100 -0.036 0.000 0.950 83 R CB 2.460 32.581 30.300 -0.297 0.000 1.165 83 R HN 0.600 nan 8.270 nan 0.000 0.474 84 E N 2.397 122.564 120.200 -0.054 0.000 2.092 84 E HA 0.186 4.536 4.350 0.000 0.000 0.271 84 E C -0.673 175.882 176.600 -0.075 0.000 0.919 84 E CA -0.795 55.581 56.400 -0.041 0.000 0.760 84 E CB 2.049 31.737 29.700 -0.019 0.000 1.106 84 E HN 0.502 nan 8.360 nan 0.000 0.408 85 V N 1.202 121.067 119.914 -0.083 0.000 2.370 85 V HA 0.448 4.568 4.120 0.000 0.000 0.283 85 V C 0.031 176.091 176.094 -0.057 0.000 1.023 85 V CA -0.617 61.624 62.300 -0.098 0.000 0.857 85 V CB 1.448 33.183 31.823 -0.147 0.000 0.985 85 V HN 0.409 nan 8.190 nan 0.000 0.443 86 T N 5.482 120.006 114.554 -0.050 0.000 2.729 86 T HA 0.537 4.887 4.350 0.000 0.000 0.296 86 T C -0.013 174.675 174.700 -0.020 0.000 0.928 86 T CA -0.080 62.002 62.100 -0.030 0.000 1.045 86 T CB 1.042 69.895 68.868 -0.026 0.000 0.902 86 T HN 0.677 nan 8.240 nan 0.000 0.500 87 V N 5.457 125.364 119.914 -0.011 0.000 2.547 87 V HA 0.592 4.712 4.120 0.000 0.000 0.299 87 V C 0.234 176.336 176.094 0.013 0.000 1.040 87 V CA -1.001 61.307 62.300 0.014 0.000 0.913 87 V CB 1.499 33.326 31.823 0.007 0.000 0.992 87 V HN 0.826 nan 8.190 nan 0.000 0.449 88 I N 2.159 122.768 120.570 0.065 0.000 2.648 88 I HA 0.988 5.159 4.170 0.000 0.000 0.304 88 I C 0.126 176.257 176.117 0.023 0.000 1.009 88 I CA -0.035 61.299 61.300 0.056 0.000 1.114 88 I CB 2.119 40.181 38.000 0.103 0.000 1.293 88 I HN 0.736 nan 8.210 nan 0.000 0.449 89 S N 2.061 117.740 115.700 -0.036 0.000 2.930 89 S HA 0.497 4.968 4.470 0.000 0.000 0.306 89 S C 0.760 175.316 174.600 -0.074 0.000 1.238 89 S CA -0.222 57.907 58.200 -0.118 0.000 1.000 89 S CB 0.492 63.571 63.200 -0.202 0.000 1.342 89 S HN 0.933 nan 8.310 nan 0.000 0.575 90 G N 0.045 108.786 108.800 -0.100 0.000 2.484 90 G HA2 0.241 4.201 3.960 0.000 0.000 0.218 90 G HA3 0.241 4.201 3.960 0.000 0.000 0.218 90 G C 0.374 175.233 174.900 -0.069 0.000 1.130 90 G CA 0.402 45.461 45.100 -0.069 0.000 0.784 90 G HN 0.512 nan 8.290 nan 0.000 0.543 91 L N 0.407 121.574 121.223 -0.093 0.000 2.387 91 L HA 0.378 4.718 4.340 0.000 0.000 0.266 91 L C -1.974 174.855 176.870 -0.069 0.000 1.059 91 L CA -2.198 52.591 54.840 -0.085 0.000 0.801 91 L CB 1.336 43.326 42.059 -0.115 0.000 1.223 91 L HN -0.139 nan 8.230 nan 0.000 0.456 92 P HA -0.031 nan 4.420 nan 0.000 0.267 92 P C -0.828 176.445 177.300 -0.044 0.000 1.201 92 P CA -0.215 62.861 63.100 -0.040 0.000 0.775 92 P CB 0.368 32.047 31.700 -0.034 0.000 0.854 93 A N 2.031 124.833 122.820 -0.030 0.000 2.566 93 A HA 0.286 4.607 4.320 0.000 0.000 0.245 93 A C 0.655 178.219 177.584 -0.033 0.000 1.056 93 A CA 0.706 52.727 52.037 -0.026 0.000 0.757 93 A CB -0.604 18.387 19.000 -0.015 0.000 0.979 93 A HN 0.454 nan 8.150 nan 0.000 0.508 94 S N 1.292 116.968 115.700 -0.040 0.000 2.568 94 S HA 0.799 5.269 4.470 0.000 0.000 0.302 94 S C -0.029 174.557 174.600 -0.023 0.000 1.082 94 S CA 0.059 58.236 58.200 -0.039 0.000 1.009 94 S CB 1.302 64.462 63.200 -0.067 0.000 1.069 94 S HN 1.315 nan 8.310 nan 0.000 0.500 95 T N 0.704 115.251 114.554 -0.012 0.000 2.888 95 T HA 0.747 5.097 4.350 0.000 0.000 0.284 95 T C -0.565 174.143 174.700 0.013 0.000 1.017 95 T CA -0.772 61.325 62.100 -0.004 0.000 1.022 95 T CB 1.262 70.128 68.868 -0.004 0.000 1.013 95 T HN 0.840 nan 8.240 nan 0.000 0.465 96 S N 0.779 116.488 115.700 0.015 0.000 2.672 96 S HA 0.513 4.983 4.470 0.000 0.000 0.291 96 S C -0.350 174.274 174.600 0.041 0.000 1.145 96 S CA -0.772 57.454 58.200 0.044 0.000 1.013 96 S CB 1.430 64.666 63.200 0.059 0.000 1.017 96 S HN 0.919 nan 8.310 nan 0.000 0.487 97 T N 2.661 117.253 114.554 0.063 0.000 2.817 97 T HA 0.394 4.744 4.350 0.000 0.000 0.293 97 T C -0.652 174.122 174.700 0.124 0.000 0.964 97 T CA -0.189 61.952 62.100 0.068 0.000 1.085 97 T CB 0.179 69.088 68.868 0.068 0.000 0.921 97 T HN 0.773 nan 8.240 nan 0.000 0.502 98 E N 3.484 123.763 120.200 0.132 0.000 2.248 98 E HA 0.419 4.769 4.350 0.000 0.000 0.267 98 E C -0.633 176.198 176.600 0.384 0.000 0.877 98 E CA -0.892 55.665 56.400 0.263 0.000 0.759 98 E CB 2.308 32.102 29.700 0.157 0.000 1.182 98 E HN 0.448 nan 8.360 nan 0.000 0.418 99 R N 2.200 122.958 120.500 0.429 0.000 2.393 99 R HA 0.300 4.641 4.340 0.000 0.000 0.310 99 R C -0.999 175.472 176.300 0.285 0.000 0.968 99 R CA -0.990 55.308 56.100 0.330 0.000 0.867 99 R CB 0.877 31.280 30.300 0.170 0.000 1.124 99 R HN 0.333 nan 8.270 nan 0.000 0.450 100 L N 4.871 126.000 121.223 -0.158 0.000 2.407 100 L HA 0.106 4.447 4.340 0.000 0.000 0.282 100 L C 0.728 177.491 176.870 -0.179 0.000 1.110 100 L CA 0.685 55.247 54.840 -0.463 0.000 0.863 100 L CB 0.700 42.029 42.059 -1.216 0.000 1.207 100 L HN 0.725 nan 8.230 nan 0.000 0.454 101 E N 4.489 124.673 120.200 -0.027 0.000 2.024 101 E HA 0.071 4.422 4.350 0.000 0.000 0.190 101 E C -0.343 176.002 176.600 -0.425 0.000 0.974 101 E CA 1.204 57.446 56.400 -0.263 0.000 0.810 101 E CB -0.021 29.541 29.700 -0.230 0.000 0.775 101 E HN 0.487 nan 8.360 nan 0.000 0.453 102 F N -0.440 119.535 119.950 0.041 0.000 2.563 102 F HA 0.532 5.059 4.527 0.001 0.000 0.316 102 F C -0.284 175.552 175.800 0.059 0.000 1.076 102 F CA -1.308 56.718 58.000 0.043 0.000 0.921 102 F CB 1.738 40.772 39.000 0.056 0.000 1.209 102 F HN -0.389 nan 8.300 nan 0.000 0.462 103 V N 1.521 121.583 119.914 0.248 0.000 2.752 103 V HA 0.346 4.466 4.120 0.000 0.000 0.302 103 V C -1.627 174.584 176.094 0.195 0.000 1.133 103 V CA -0.689 61.746 62.300 0.226 0.000 0.919 103 V CB 2.041 33.962 31.823 0.164 0.000 1.026 103 V HN 0.808 nan 8.190 nan 0.000 0.429 104 D N 3.092 123.599 120.400 0.179 0.000 2.469 104 D HA 0.293 4.934 4.640 0.000 0.000 0.251 104 D C 0.185 176.525 176.300 0.067 0.000 1.173 104 D CA -0.269 53.789 54.000 0.097 0.000 0.882 104 D CB 1.947 42.752 40.800 0.008 0.000 1.129 104 D HN 0.555 nan 8.370 nan 0.000 0.549 105 D N 2.295 122.783 120.400 0.147 0.000 2.183 105 D HA -0.118 4.522 4.640 0.000 0.000 0.203 105 D C 0.709 176.937 176.300 -0.119 0.000 0.969 105 D CA 0.871 54.956 54.000 0.143 0.000 0.842 105 D CB 0.579 41.535 40.800 0.259 0.000 0.957 105 D HN 0.480 nan 8.370 nan 0.000 0.484 106 D N -0.009 120.360 120.400 -0.052 0.000 2.117 106 D HA -0.098 4.542 4.640 0.000 0.000 0.198 106 D C 1.591 177.741 176.300 -0.250 0.000 0.982 106 D CA 1.056 54.993 54.000 -0.106 0.000 0.828 106 D CB -0.291 40.512 40.800 0.004 0.000 0.967 106 D HN 0.299 nan 8.370 nan 0.000 0.464 107 H N -0.299 118.618 119.070 -0.255 0.000 2.539 107 H HA 0.326 4.882 4.556 0.000 0.000 0.269 107 H C -0.121 174.889 175.328 -0.532 0.000 0.980 107 H CA 0.096 55.959 56.048 -0.307 0.000 1.152 107 H CB 0.236 29.869 29.762 -0.215 0.000 1.407 107 H HN -0.086 nan 8.280 nan 0.000 0.564 108 R N -0.084 119.984 120.500 -0.720 0.000 3.209 108 R HA -0.113 4.227 4.340 0.000 0.000 0.252 108 R C -1.267 174.409 176.300 -1.039 0.000 0.958 108 R CA 0.281 55.441 56.100 -1.566 0.000 0.651 108 R CB -2.303 27.212 30.300 -1.309 0.000 1.142 108 R HN 0.046 nan 8.270 nan 0.000 0.441 109 V N 1.461 121.040 119.914 -0.557 0.000 2.656 109 V HA 0.681 4.801 4.120 0.000 0.000 0.307 109 V C 0.059 176.269 176.094 0.194 0.000 1.051 109 V CA -0.854 61.303 62.300 -0.238 0.000 0.893 109 V CB 2.389 33.790 31.823 -0.703 0.000 0.999 109 V HN 0.329 nan 8.190 nan 0.000 0.426 110 L N 3.143 124.541 121.223 0.291 0.000 2.422 110 L HA 0.889 5.229 4.340 0.000 0.000 0.264 110 L C -0.620 176.437 176.870 0.311 0.000 0.984 110 L CA 0.055 55.107 54.840 0.353 0.000 0.819 110 L CB 2.319 44.612 42.059 0.391 0.000 1.330 110 L HN 0.738 nan 8.230 nan 0.000 0.410 111 S N 3.584 119.505 115.700 0.367 0.000 2.547 111 S HA 0.819 5.289 4.470 0.000 0.000 0.281 111 S C -1.140 173.758 174.600 0.497 0.000 1.118 111 S CA -0.489 57.941 58.200 0.383 0.000 0.947 111 S CB 1.213 64.642 63.200 0.380 0.000 1.053 111 S HN 0.594 nan 8.310 nan 0.000 0.482 112 F N 2.372 122.528 119.950 0.344 0.000 2.643 112 F HA 0.895 5.423 4.527 0.001 0.000 0.314 112 F C -0.924 175.062 175.800 0.311 0.000 1.096 112 F CA -1.146 57.056 58.000 0.337 0.000 0.953 112 F CB 1.243 40.528 39.000 0.475 0.000 1.345 112 F HN 0.761 nan 8.300 nan 0.000 0.468 113 R N 1.062 121.811 120.500 0.415 0.000 2.698 113 R HA 0.728 5.069 4.340 0.000 0.000 0.275 113 R C -1.633 174.912 176.300 0.409 0.000 1.001 113 R CA -1.194 55.065 56.100 0.265 0.000 0.896 113 R CB 1.851 32.254 30.300 0.172 0.000 1.218 113 R HN 0.880 nan 8.270 nan 0.000 0.462 114 V N 0.483 120.615 119.914 0.363 0.000 2.455 114 V HA 0.247 4.368 4.120 0.000 0.000 0.273 114 V C 0.500 176.718 176.094 0.206 0.000 1.045 114 V CA -0.496 61.991 62.300 0.310 0.000 0.976 114 V CB 1.301 33.302 31.823 0.297 0.000 0.993 114 V HN 0.675 nan 8.190 nan 0.000 0.475 115 V N 4.223 124.242 119.914 0.176 0.000 3.514 115 V HA 0.617 4.737 4.120 0.000 0.000 0.301 115 V C 1.157 177.311 176.094 0.100 0.000 1.346 115 V CA 0.724 63.099 62.300 0.125 0.000 1.156 115 V CB -0.739 31.152 31.823 0.114 0.000 1.029 115 V HN 1.419 nan 8.190 nan 0.000 0.428 116 G N -0.934 107.930 108.800 0.107 0.000 2.238 116 G HA2 0.525 4.485 3.960 0.000 0.000 0.276 116 G HA3 0.525 4.485 3.960 0.000 0.000 0.276 116 G C -0.642 174.309 174.900 0.086 0.000 1.744 116 G CA 0.087 45.237 45.100 0.084 0.000 0.912 116 G HN 0.645 nan 8.290 nan 0.000 0.744 117 G N 0.805 109.653 108.800 0.081 0.000 2.299 117 G HA2 0.600 4.560 3.960 0.000 0.000 0.312 117 G HA3 0.600 4.560 3.960 0.000 0.000 0.312 117 G C -0.314 174.634 174.900 0.080 0.000 1.654 117 G CA -0.197 44.949 45.100 0.076 0.000 0.912 117 G HN 1.095 nan 8.290 nan 0.000 0.667 118 E N 2.192 122.424 120.200 0.054 0.000 2.053 118 E HA 0.233 4.584 4.350 0.000 0.000 0.297 118 E C 0.042 176.667 176.600 0.043 0.000 1.173 118 E CA -0.321 56.105 56.400 0.043 0.000 1.219 118 E CB 0.373 30.078 29.700 0.010 0.000 1.103 118 E HN 0.441 nan 8.360 nan 0.000 0.476 119 H N 1.432 120.507 119.070 0.009 0.000 2.869 119 H HA 0.417 4.973 4.556 0.000 0.000 0.342 119 H C -0.080 175.253 175.328 0.008 0.000 1.250 119 H CA -1.430 54.620 56.048 0.003 0.000 1.217 119 H CB 1.653 31.424 29.762 0.014 0.000 1.917 119 H HN 0.157 nan 8.280 nan 0.000 0.586 120 R N 0.387 121.147 120.500 0.434 0.000 2.393 120 R HA 0.301 4.642 4.340 0.000 0.000 0.244 120 R C -0.229 176.106 176.300 0.059 0.000 0.920 120 R CA 0.015 56.213 56.100 0.163 0.000 1.076 120 R CB 0.140 30.511 30.300 0.118 0.000 1.119 120 R HN 0.214 nan 8.270 nan 0.000 0.524 121 L N 1.624 122.826 121.223 -0.035 0.000 2.270 121 L HA 0.310 4.650 4.340 0.000 0.000 0.286 121 L C -0.018 176.868 176.870 0.028 0.000 1.059 121 L CA -0.277 54.513 54.840 -0.085 0.000 0.839 121 L CB 0.860 42.738 42.059 -0.301 0.000 1.221 121 L HN -0.068 nan 8.230 nan 0.000 0.431 122 K N 2.666 123.098 120.400 0.054 0.000 2.098 122 K HA 0.255 4.575 4.320 0.000 0.000 0.257 122 K C 0.135 176.791 176.600 0.093 0.000 0.999 122 K CA -0.830 55.502 56.287 0.075 0.000 0.924 122 K CB 0.581 33.114 32.500 0.055 0.000 1.028 122 K HN 0.465 nan 8.250 nan 0.000 0.466 123 N N 1.675 120.434 118.700 0.100 0.000 2.669 123 N HA -0.270 4.470 4.740 0.000 0.000 0.266 123 N C -1.229 174.346 175.510 0.108 0.000 1.024 123 N CA 0.851 53.956 53.050 0.092 0.000 0.766 123 N CB -1.094 37.419 38.487 0.043 0.000 0.898 123 N HN 0.490 nan 8.380 nan 0.000 0.548 124 Y N 0.702 121.026 120.300 0.040 0.000 2.319 124 Y HA 0.379 4.929 4.550 0.000 0.000 0.328 124 Y C 0.358 176.263 175.900 0.008 0.000 1.133 124 Y CA 0.156 58.273 58.100 0.028 0.000 1.265 124 Y CB 0.828 39.309 38.460 0.035 0.000 1.218 124 Y HN 0.024 nan 8.280 nan 0.000 0.508 125 K N 3.686 123.727 120.400 -0.599 0.000 2.523 125 K HA 0.480 4.800 4.320 0.000 0.000 0.257 125 K C -1.752 174.509 176.600 -0.565 0.000 0.932 125 K CA -0.434 55.617 56.287 -0.394 0.000 0.812 125 K CB 1.892 34.329 32.500 -0.106 0.000 1.326 125 K HN 0.766 nan 8.250 nan 0.000 0.433 126 S N 0.935 116.372 115.700 -0.438 0.000 2.541 126 S HA 0.669 5.140 4.470 0.000 0.000 0.271 126 S C -1.361 173.232 174.600 -0.012 0.000 1.133 126 S CA -0.649 57.437 58.200 -0.190 0.000 0.876 126 S CB 1.693 64.780 63.200 -0.189 0.000 1.105 126 S HN 0.130 nan 8.310 nan 0.000 0.470 127 V N 2.435 122.410 119.914 0.102 0.000 2.487 127 V HA 0.678 4.798 4.120 0.000 0.000 0.298 127 V C -0.339 175.920 176.094 0.274 0.000 1.028 127 V CA -0.411 61.953 62.300 0.107 0.000 0.860 127 V CB 1.754 33.524 31.823 -0.087 0.000 0.991 127 V HN 1.041 nan 8.190 nan 0.000 0.427 128 T N 3.275 117.990 114.554 0.269 0.000 2.824 128 T HA 0.617 4.967 4.350 0.000 0.000 0.282 128 T C -0.238 174.598 174.700 0.225 0.000 0.993 128 T CA -0.569 61.709 62.100 0.296 0.000 0.967 128 T CB 1.587 70.638 68.868 0.304 0.000 0.960 128 T HN 0.843 nan 8.240 nan 0.000 0.441 129 S N 1.354 117.184 115.700 0.216 0.000 2.526 129 S HA 0.747 5.217 4.470 0.000 0.000 0.293 129 S C -0.731 173.907 174.600 0.062 0.000 1.092 129 S CA -0.813 57.425 58.200 0.064 0.000 0.980 129 S CB 1.461 64.712 63.200 0.085 0.000 1.048 129 S HN 0.422 nan 8.310 nan 0.000 0.483 130 V N 3.612 123.501 119.914 -0.041 0.000 2.334 130 V HA 0.467 4.587 4.120 0.000 0.000 0.281 130 V C -0.706 175.348 176.094 -0.065 0.000 1.016 130 V CA -0.703 61.590 62.300 -0.012 0.000 0.832 130 V CB 0.787 32.617 31.823 0.012 0.000 0.999 130 V HN 0.911 nan 8.190 nan 0.000 0.439 131 N N 3.675 122.391 118.700 0.028 0.000 2.372 131 N HA 0.405 5.145 4.740 0.000 0.000 0.285 131 N C -0.649 174.897 175.510 0.060 0.000 1.008 131 N CA -0.601 52.458 53.050 0.015 0.000 0.880 131 N CB 2.960 41.534 38.487 0.145 0.000 1.239 131 N HN 0.729 nan 8.380 nan 0.000 0.484 132 E N 1.619 121.742 120.200 -0.128 0.000 2.216 132 E HA 0.496 4.846 4.350 0.000 0.000 0.279 132 E C -1.329 175.047 176.600 -0.374 0.000 0.997 132 E CA -0.228 56.090 56.400 -0.137 0.000 0.817 132 E CB 0.670 30.278 29.700 -0.153 0.000 1.096 132 E HN 0.288 nan 8.360 nan 0.000 0.393 133 F N 2.199 121.848 119.950 -0.501 0.000 2.679 133 F HA 0.539 5.066 4.527 0.000 0.000 0.341 133 F C -0.663 174.812 175.800 -0.540 0.000 1.095 133 F CA -0.998 56.626 58.000 -0.628 0.000 1.004 133 F CB 1.249 39.602 39.000 -1.078 0.000 1.388 133 F HN 0.288 nan 8.300 nan 0.000 0.505 134 L N 1.875 123.028 121.223 -0.116 0.000 2.410 134 L HA 0.396 4.736 4.340 0.000 0.000 0.270 134 L C -0.884 176.091 176.870 0.175 0.000 0.983 134 L CA -0.516 54.332 54.840 0.012 0.000 0.822 134 L CB 1.661 43.722 42.059 0.004 0.000 1.285 134 L HN 0.648 nan 8.230 nan 0.000 0.409 138 S N -0.328 115.393 115.700 0.034 0.000 3.628 138 S HA 0.077 4.547 4.470 0.000 0.000 0.373 138 S C 0.475 175.103 174.600 0.048 0.000 0.968 138 S CA 0.622 58.841 58.200 0.031 0.000 1.215 138 S CB -1.429 61.785 63.200 0.023 0.000 0.912 138 S HN 1.049 nan 8.310 nan 0.000 0.495 139 G N 1.059 109.892 108.800 0.055 0.000 2.329 139 G HA2 0.514 4.474 3.960 0.000 0.000 0.309 139 G HA3 0.514 4.474 3.960 0.000 0.000 0.309 139 G C -0.279 174.669 174.900 0.080 0.000 1.110 139 G CA -0.634 44.513 45.100 0.079 0.000 0.923 139 G HN 0.351 nan 8.290 nan 0.000 0.430 140 K N 1.079 121.547 120.400 0.113 0.000 2.208 140 K HA 0.553 4.873 4.320 0.000 0.000 0.247 140 K C 0.377 177.083 176.600 0.176 0.000 0.953 140 K CA -0.815 55.541 56.287 0.115 0.000 0.837 140 K CB 2.546 35.110 32.500 0.107 0.000 1.131 140 K HN 0.437 nan 8.250 nan 0.000 0.431 141 V N -0.278 119.722 119.914 0.143 0.000 3.083 141 V HA 0.552 4.672 4.120 0.000 0.000 0.306 141 V C -0.683 175.569 176.094 0.262 0.000 1.077 141 V CA -0.163 62.214 62.300 0.127 0.000 1.073 141 V CB 0.213 32.063 31.823 0.044 0.000 1.081 141 V HN 0.862 nan 8.190 nan 0.000 0.474 142 Y N -0.802 119.577 120.300 0.132 0.000 2.725 142 Y HA 0.830 5.380 4.550 0.000 0.000 0.333 142 Y C -0.719 175.246 175.900 0.109 0.000 1.242 142 Y CA -0.954 57.209 58.100 0.106 0.000 1.059 142 Y CB 1.065 39.587 38.460 0.103 0.000 1.306 142 Y HN 0.672 nan 8.280 nan 0.000 0.454 143 T N 1.726 116.451 114.554 0.285 0.000 2.876 143 T HA 0.642 4.992 4.350 0.000 0.000 0.289 143 T C -1.469 173.357 174.700 0.210 0.000 1.014 143 T CA -0.725 61.491 62.100 0.194 0.000 0.986 143 T CB 1.816 70.750 68.868 0.110 0.000 1.021 143 T HN 0.604 nan 8.240 nan 0.000 0.458 144 V N 3.272 123.311 119.914 0.209 0.000 2.378 144 V HA 0.455 4.575 4.120 0.000 0.000 0.288 144 V C -0.280 175.881 176.094 0.112 0.000 1.016 144 V CA -0.684 61.687 62.300 0.119 0.000 0.840 144 V CB 1.646 33.502 31.823 0.056 0.000 0.994 144 V HN 0.725 nan 8.190 nan 0.000 0.431 145 V N 6.802 126.756 119.914 0.066 0.000 2.472 145 V HA 0.533 4.654 4.120 0.000 0.000 0.290 145 V C -0.181 175.936 176.094 0.039 0.000 1.037 145 V CA -0.503 61.837 62.300 0.066 0.000 0.908 145 V CB 1.727 33.586 31.823 0.060 0.000 0.985 145 V HN 0.620 nan 8.190 nan 0.000 0.454 146 L N 4.299 125.537 121.223 0.025 0.000 2.362 146 L HA 0.692 5.032 4.340 0.000 0.000 0.275 146 L C -0.386 176.411 176.870 -0.122 0.000 0.998 146 L CA -0.356 54.418 54.840 -0.110 0.000 0.820 146 L CB 2.049 43.965 42.059 -0.238 0.000 1.270 146 L HN 0.719 nan 8.230 nan 0.000 0.415 147 E N 2.446 122.581 120.200 -0.108 0.000 2.302 147 E HA 0.400 4.750 4.350 0.000 0.000 0.263 147 E C -1.258 175.369 176.600 0.044 0.000 0.897 147 E CA -0.448 55.977 56.400 0.041 0.000 0.809 147 E CB 1.694 31.505 29.700 0.185 0.000 1.270 147 E HN 0.614 nan 8.360 nan 0.000 0.410 148 S N 3.269 119.003 115.700 0.057 0.000 2.549 148 S HA 0.704 5.174 4.470 0.000 0.000 0.297 148 S C -0.685 174.102 174.600 0.312 0.000 1.115 148 S CA -0.656 57.611 58.200 0.112 0.000 1.059 148 S CB 0.776 63.990 63.200 0.023 0.000 1.046 148 S HN 0.538 nan 8.310 nan 0.000 0.506 149 Y N -1.356 119.099 120.300 0.259 0.000 2.615 149 Y HA 0.854 5.405 4.550 0.001 0.000 0.341 149 Y C -0.915 174.903 175.900 -0.136 0.000 1.089 149 Y CA -1.051 57.069 58.100 0.033 0.000 1.049 149 Y CB 1.129 39.525 38.460 -0.106 0.000 1.296 149 Y HN 0.616 nan 8.280 nan 0.000 0.470 150 T N 2.276 116.681 114.554 -0.249 0.000 2.893 150 T HA 0.675 5.026 4.350 0.000 0.000 0.293 150 T C -1.741 172.894 174.700 -0.107 0.000 1.027 150 T CA -0.693 61.169 62.100 -0.397 0.000 0.988 150 T CB 1.646 70.078 68.868 -0.726 0.000 1.043 150 T HN 0.837 nan 8.240 nan 0.000 0.461 151 V N 2.053 121.984 119.914 0.028 0.000 3.077 151 V HA 0.382 4.502 4.120 0.000 0.000 0.299 151 V C -1.625 174.508 176.094 0.065 0.000 1.276 151 V CA -0.944 61.429 62.300 0.123 0.000 0.993 151 V CB 2.507 34.513 31.823 0.305 0.000 1.076 151 V HN 0.888 nan 8.190 nan 0.000 0.434 152 D N 4.918 125.350 120.400 0.053 0.000 2.390 152 D HA 0.319 4.959 4.640 0.000 0.000 0.249 152 D C 0.175 176.497 176.300 0.036 0.000 1.144 152 D CA 0.035 54.053 54.000 0.030 0.000 0.880 152 D CB 0.827 41.645 40.800 0.029 0.000 1.182 152 D HN 0.310 nan 8.370 nan 0.000 0.451 153 I N 5.393 125.980 120.570 0.027 0.000 2.494 153 I HA 0.092 4.262 4.170 0.000 0.000 0.289 153 I C -1.691 174.437 176.117 0.019 0.000 1.106 153 I CA -1.788 59.529 61.300 0.028 0.000 1.369 153 I CB -0.218 37.795 38.000 0.022 0.000 1.410 153 I HN 0.117 nan 8.210 nan 0.000 0.523 154 P HA 0.076 nan 4.420 nan 0.000 0.272 154 P C -0.229 177.077 177.300 0.010 0.000 1.230 154 P CA -0.400 62.708 63.100 0.013 0.000 0.788 154 P CB 0.940 32.646 31.700 0.011 0.000 0.949 155 E N 0.099 120.304 120.200 0.009 0.000 2.324 155 E HA 0.356 4.706 4.350 0.000 0.000 0.271 155 E C 1.279 177.881 176.600 0.002 0.000 1.028 155 E CA 1.453 57.857 56.400 0.006 0.000 0.890 155 E CB -0.478 29.226 29.700 0.006 0.000 1.004 155 E HN 0.745 nan 8.360 nan 0.000 0.431 156 G N 4.174 112.974 108.800 0.000 0.000 2.284 156 G HA2 -0.251 3.709 3.960 0.000 0.000 0.216 156 G HA3 -0.251 3.709 3.960 0.000 0.000 0.216 156 G C 0.365 175.262 174.900 -0.005 0.000 1.009 156 G CA 0.024 45.122 45.100 -0.004 0.000 0.625 156 G HN 0.585 nan 8.290 nan 0.000 0.501 157 N N 0.940 119.639 118.700 -0.003 0.000 2.413 157 N HA 0.547 5.287 4.740 0.000 0.000 0.266 157 N C 0.365 175.879 175.510 0.007 0.000 1.238 157 N CA 0.466 53.515 53.050 -0.001 0.000 0.972 157 N CB 0.798 39.286 38.487 0.001 0.000 1.210 157 N HN 0.480 nan 8.380 nan 0.000 0.547 158 T N -3.106 111.456 114.554 0.013 0.000 2.949 158 T HA 0.192 4.542 4.350 0.000 0.000 0.287 158 T C 0.755 175.473 174.700 0.029 0.000 1.034 158 T CA -0.749 61.361 62.100 0.018 0.000 1.018 158 T CB 2.027 70.905 68.868 0.017 0.000 1.135 158 T HN 0.589 nan 8.240 nan 0.000 0.532 159 E N -0.141 120.077 120.200 0.030 0.000 2.216 159 E HA -0.096 4.255 4.350 0.000 0.000 0.192 159 E C 1.397 178.029 176.600 0.054 0.000 0.988 159 E CA 0.793 57.217 56.400 0.041 0.000 0.834 159 E CB 0.055 29.772 29.700 0.028 0.000 0.772 159 E HN 0.761 nan 8.360 nan 0.000 0.479 160 E N 1.030 121.257 120.200 0.046 0.000 2.028 160 E HA -0.165 4.185 4.350 0.000 0.000 0.191 160 E C 1.660 178.302 176.600 0.070 0.000 0.988 160 E CA 1.459 57.891 56.400 0.053 0.000 0.799 160 E CB -0.126 29.598 29.700 0.040 0.000 0.755 160 E HN 0.241 nan 8.360 nan 0.000 0.447 161 D N 0.058 120.495 120.400 0.061 0.000 2.178 161 D HA -0.077 4.563 4.640 0.000 0.000 0.202 161 D C 1.770 178.137 176.300 0.111 0.000 0.974 161 D CA 1.299 55.341 54.000 0.070 0.000 0.841 161 D CB -0.390 40.431 40.800 0.034 0.000 0.953 161 D HN 0.147 nan 8.370 nan 0.000 0.478 162 T N 0.561 115.179 114.554 0.106 0.000 2.812 162 T HA -0.108 4.242 4.350 0.000 0.000 0.264 162 T C 1.854 176.674 174.700 0.200 0.000 1.042 162 T CA 0.909 63.098 62.100 0.147 0.000 1.140 162 T CB 0.117 69.049 68.868 0.106 0.000 0.870 162 T HN 0.128 nan 8.240 nan 0.000 0.445 163 K N 0.705 121.212 120.400 0.178 0.000 2.057 163 K HA 0.018 4.338 4.320 0.000 0.000 0.206 163 K C 2.411 179.126 176.600 0.191 0.000 1.050 163 K CA 1.101 57.520 56.287 0.220 0.000 0.935 163 K CB -0.230 32.364 32.500 0.157 0.000 0.715 163 K HN 0.262 nan 8.250 nan 0.000 0.439 164 M N 0.104 119.797 119.600 0.154 0.000 2.159 164 M HA -0.166 4.314 4.480 0.000 0.000 0.263 164 M C 1.871 178.264 176.300 0.155 0.000 1.063 164 M CA 1.450 56.831 55.300 0.135 0.000 1.110 164 M CB -0.143 32.526 32.600 0.115 0.000 1.374 164 M HN 0.199 nan 8.290 nan 0.000 0.411 165 F N 0.265 120.230 119.950 0.024 0.000 2.060 165 F HA -0.136 4.392 4.527 0.000 0.000 0.295 165 F C 1.844 177.626 175.800 -0.030 0.000 1.120 165 F CA 1.720 59.716 58.000 -0.007 0.000 1.205 165 F CB -0.840 38.144 39.000 -0.025 0.000 0.986 165 F HN -0.095 nan 8.300 nan 0.000 0.470 166 V N 0.634 120.382 119.914 -0.277 0.000 2.407 166 V HA -0.271 3.849 4.120 0.000 0.000 0.248 166 V C 2.078 177.965 176.094 -0.344 0.000 1.055 166 V CA 2.081 64.069 62.300 -0.520 0.000 1.049 166 V CB -0.864 30.640 31.823 -0.531 0.000 0.662 166 V HN 0.256 nan 8.190 nan 0.000 0.455 167 D N 0.288 120.658 120.400 -0.051 0.000 2.104 167 D HA -0.144 4.496 4.640 0.000 0.000 0.194 167 D C 2.344 178.649 176.300 0.009 0.000 0.994 167 D CA 1.977 56.033 54.000 0.094 0.000 0.830 167 D CB -0.395 40.495 40.800 0.149 0.000 0.959 167 D HN 0.403 nan 8.370 nan 0.000 0.452 168 T N -0.115 114.416 114.554 -0.039 0.000 2.777 168 T HA -0.076 4.274 4.350 0.000 0.000 0.266 168 T C 2.193 176.854 174.700 -0.065 0.000 1.040 168 T CA 0.665 62.748 62.100 -0.028 0.000 1.141 168 T CB -0.309 68.560 68.868 0.001 0.000 0.868 168 T HN -0.029 nan 8.240 nan 0.000 0.444 169 V N 1.216 120.998 119.914 -0.220 0.000 2.358 169 V HA -0.129 3.991 4.120 0.000 0.000 0.246 169 V C 2.654 178.719 176.094 -0.049 0.000 1.047 169 V CA 1.202 63.395 62.300 -0.179 0.000 1.035 169 V CB -0.623 30.932 31.823 -0.447 0.000 0.658 169 V HN 0.307 nan 8.190 nan 0.000 0.452 170 V N 0.065 119.938 119.914 -0.070 0.000 2.295 170 V HA -0.289 3.832 4.120 0.000 0.000 0.246 170 V C 2.433 178.590 176.094 0.105 0.000 1.049 170 V CA 2.423 64.752 62.300 0.048 0.000 1.024 170 V CB -0.659 31.215 31.823 0.084 0.000 0.648 170 V HN 0.565 nan 8.190 nan 0.000 0.447 171 K N -0.039 120.412 120.400 0.084 0.000 2.057 171 K HA -0.156 4.164 4.320 0.000 0.000 0.207 171 K C 2.175 178.841 176.600 0.109 0.000 1.049 171 K CA 1.558 57.901 56.287 0.092 0.000 0.931 171 K CB -0.235 32.307 32.500 0.071 0.000 0.714 171 K HN 0.393 nan 8.250 nan 0.000 0.440 172 L N 1.229 122.519 121.223 0.112 0.000 2.042 172 L HA -0.233 4.107 4.340 0.000 0.000 0.210 172 L C 2.094 179.122 176.870 0.263 0.000 1.076 172 L CA 1.190 56.129 54.840 0.165 0.000 0.749 172 L CB -0.584 41.549 42.059 0.124 0.000 0.893 172 L HN 0.263 nan 8.230 nan 0.000 0.432 173 N N -0.078 118.756 118.700 0.224 0.000 2.270 173 N HA -0.090 4.650 4.740 0.000 0.000 0.181 173 N C 1.927 177.574 175.510 0.228 0.000 1.016 173 N CA 1.020 54.175 53.050 0.174 0.000 0.870 173 N CB -0.198 38.361 38.487 0.120 0.000 0.979 173 N HN 0.304 nan 8.380 nan 0.000 0.431 174 L N 0.957 122.301 121.223 0.201 0.000 2.141 174 L HA -0.114 4.226 4.340 0.000 0.000 0.209 174 L C 2.119 179.060 176.870 0.119 0.000 1.094 174 L CA 0.982 55.920 54.840 0.164 0.000 0.763 174 L CB -0.243 41.892 42.059 0.127 0.000 0.908 174 L HN 0.209 nan 8.230 nan 0.000 0.437 175 Q N -0.293 119.578 119.800 0.119 0.000 2.187 175 Q HA -0.204 4.136 4.340 0.000 0.000 0.199 175 Q C 2.071 178.128 176.000 0.095 0.000 0.957 175 Q CA 0.970 56.832 55.803 0.098 0.000 0.857 175 Q CB 0.052 28.851 28.738 0.101 0.000 0.929 175 Q HN 0.367 nan 8.270 nan 0.000 0.453 176 K N 0.773 121.232 120.400 0.099 0.000 2.228 176 K HA -0.110 4.211 4.320 0.000 0.000 0.202 176 K C 1.960 178.590 176.600 0.051 0.000 1.051 176 K CA 0.337 56.633 56.287 0.014 0.000 0.960 176 K CB 0.107 32.464 32.500 -0.238 0.000 0.743 176 K HN 0.084 nan 8.250 nan 0.000 0.458 177 L N 0.461 121.754 121.223 0.117 0.000 2.072 177 L HA 0.055 4.395 4.340 0.000 0.000 0.205 177 L C 2.030 178.921 176.870 0.035 0.000 1.079 177 L CA 2.089 56.980 54.840 0.084 0.000 0.752 177 L CB -0.830 41.235 42.059 0.010 0.000 0.906 177 L HN 0.195 nan 8.230 nan 0.000 0.436 178 G N -0.512 108.314 108.800 0.043 0.000 2.418 178 G HA2 -0.214 3.747 3.960 0.000 0.000 0.217 178 G HA3 -0.214 3.747 3.960 0.000 0.000 0.217 178 G C 1.588 176.513 174.900 0.041 0.000 1.158 178 G CA 1.446 46.568 45.100 0.037 0.000 0.771 178 G HN 0.483 nan 8.290 nan 0.000 0.545 179 V N -0.715 119.224 119.914 0.042 0.000 2.358 179 V HA 0.069 4.189 4.120 0.000 0.000 0.246 179 V C 2.935 179.047 176.094 0.029 0.000 1.047 179 V CA 1.958 64.281 62.300 0.037 0.000 1.035 179 V CB -1.104 30.740 31.823 0.034 0.000 0.658 179 V HN 0.389 nan 8.190 nan 0.000 0.452 180 A N 0.750 123.585 122.820 0.025 0.000 1.933 180 A HA 0.140 4.460 4.320 0.000 0.000 0.218 180 A C 2.422 180.019 177.584 0.022 0.000 1.175 180 A CA 2.189 54.238 52.037 0.020 0.000 0.628 180 A CB -0.986 18.029 19.000 0.025 0.000 0.814 180 A HN 0.994 nan 8.150 nan 0.000 0.444 181 A N -0.700 122.135 122.820 0.025 0.000 2.067 181 A HA 0.066 4.386 4.320 0.000 0.000 0.217 181 A C 2.169 179.778 177.584 0.041 0.000 1.156 181 A CA 1.991 54.045 52.037 0.029 0.000 0.683 181 A CB -0.737 18.281 19.000 0.029 0.000 0.808 181 A HN 0.725 nan 8.150 nan 0.000 0.455 182 T N -4.123 110.457 114.554 0.045 0.000 3.022 182 T HA 0.148 4.499 4.350 0.000 0.000 0.250 182 T C 1.205 175.928 174.700 0.040 0.000 1.060 182 T CA 1.147 63.278 62.100 0.053 0.000 1.013 182 T CB 0.018 68.927 68.868 0.069 0.000 0.982 182 T HN 0.699 nan 8.240 nan 0.000 0.508 183 S N -0.474 115.245 115.700 0.031 0.000 2.733 183 S HA 0.662 5.132 4.470 0.000 0.000 0.270 183 S C 0.445 175.055 174.600 0.017 0.000 1.062 183 S CA -0.057 58.157 58.200 0.023 0.000 1.256 183 S CB 0.119 63.333 63.200 0.022 0.000 1.187 183 S HN 0.689 nan 8.310 nan 0.000 0.666 184 A N 2.280 125.109 122.820 0.016 0.000 2.311 184 A HA 0.875 5.195 4.320 0.000 0.000 0.334 184 A C -2.747 174.843 177.584 0.010 0.000 1.139 184 A CA -1.668 50.375 52.037 0.010 0.000 0.830 184 A CB -0.242 18.762 19.000 0.006 0.000 1.234 184 A HN 0.319 nan 8.150 nan 0.000 0.483 185 P HA 0.293 nan 4.420 nan 0.000 0.271 185 P C -0.129 177.174 177.300 0.005 0.000 1.233 185 P CA 0.060 63.164 63.100 0.006 0.000 0.789 185 P CB 0.381 32.083 31.700 0.003 0.000 0.951 186 M N 0.000 119.604 119.600 0.006 0.000 2.572 186 M HA 0.000 4.480 4.480 0.000 0.000 0.227 186 M CA 0.000 55.302 55.300 0.004 0.000 0.988 186 M CB 0.000 32.605 32.600 0.008 0.000 1.302 186 M HN 0.000 nan 8.290 nan 0.000 0.411