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 2br3_1_C DATA FIRST_RESID 3 DATA SEQUENCE DYSRQNFLDL NLFRGLGEDP AYHPPVLTDR PRDWPLDRWA EAPRDLGYSD DATA SEQUENCE FSPYQWRGLR MLKDPDTQAV YHDMLWELRP RTIVELGVYN GGSLAWFRDL DATA SEQUENCE TKIMGIDCQV IGIDRDLSRC QIPASDMENI TLHQGDCSDL TTFEHLREMA DATA SEQUENCE HPLIFIDDAH ANTFNIMKWA VDHLLEEGDY FIIEDMIPYW YRYAPQLFSE DATA SEQUENCE YLGAFRDVLS MDMLYANASS QLDRGVLRRV AA 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 3 D HA 0.000 nan 4.640 nan 0.000 0.175 3 D C 0.000 176.374 176.300 0.124 0.000 2.045 3 D CA 0.000 54.057 54.000 0.095 0.000 0.868 3 D CB 0.000 40.790 40.800 -0.016 0.000 0.688 4 Y N 0.507 120.876 120.300 0.114 0.000 2.343 4 Y HA 0.171 4.722 4.550 0.001 0.000 0.294 4 Y C 1.963 177.962 175.900 0.164 0.000 1.122 4 Y CA 0.971 59.206 58.100 0.226 0.000 1.173 4 Y CB -0.618 37.979 38.460 0.229 0.000 1.077 4 Y HN 0.229 nan 8.280 nan 0.000 0.542 5 S N 0.407 115.753 115.700 -0.590 0.000 2.474 5 S HA -0.069 4.401 4.470 0.001 0.000 0.235 5 S C 1.693 176.195 174.600 -0.163 0.000 0.997 5 S CA 0.719 58.712 58.200 -0.345 0.000 0.949 5 S CB -0.376 62.523 63.200 -0.501 0.000 0.766 5 S HN 0.497 nan 8.310 nan 0.000 0.517 6 R N 0.929 121.332 120.500 -0.162 0.000 2.052 6 R HA 0.199 4.539 4.340 0.001 0.000 0.226 6 R C 1.042 177.253 176.300 -0.149 0.000 1.145 6 R CA 0.604 56.629 56.100 -0.124 0.000 0.952 6 R CB -0.316 29.917 30.300 -0.110 0.000 0.847 6 R HN 0.445 nan 8.270 nan 0.000 0.431 7 Q N 1.322 120.987 119.800 -0.225 0.000 2.304 7 Q HA -0.076 4.265 4.340 0.001 0.000 0.301 7 Q C -0.653 175.046 176.000 -0.503 0.000 1.063 7 Q CA 0.294 55.824 55.803 -0.456 0.000 0.947 7 Q CB 0.443 28.684 28.738 -0.828 0.000 1.201 7 Q HN 0.083 nan 8.270 nan 0.000 0.389 8 N N 1.941 120.405 118.700 -0.393 0.000 2.419 8 N HA 0.270 5.011 4.740 0.001 0.000 0.277 8 N C -1.700 173.626 175.510 -0.307 0.000 1.006 8 N CA -0.326 52.578 53.050 -0.242 0.000 0.923 8 N CB 0.593 39.026 38.487 -0.090 0.000 1.140 8 N HN 0.256 nan 8.380 nan 0.000 0.488 9 F N 3.251 123.227 119.950 0.042 0.000 2.410 9 F HA 0.371 4.899 4.527 0.001 0.000 0.349 9 F C 0.440 176.267 175.800 0.046 0.000 1.117 9 F CA -0.899 57.132 58.000 0.050 0.000 1.104 9 F CB 0.871 39.902 39.000 0.052 0.000 1.122 9 F HN 0.199 nan 8.300 nan 0.000 0.483 10 L N 2.684 124.043 121.223 0.226 0.000 2.461 10 L HA 0.060 4.400 4.340 0.001 0.000 0.272 10 L C 0.425 177.376 176.870 0.134 0.000 1.197 10 L CA -0.105 54.827 54.840 0.152 0.000 0.836 10 L CB 0.224 42.393 42.059 0.184 0.000 1.105 10 L HN 0.534 nan 8.230 nan 0.000 0.477 11 D N 1.927 122.344 120.400 0.028 0.000 2.343 11 D HA 0.039 4.680 4.640 0.001 0.000 0.255 11 D C 0.752 177.004 176.300 -0.079 0.000 1.187 11 D CA -0.338 53.652 54.000 -0.015 0.000 0.875 11 D CB 1.385 42.155 40.800 -0.050 0.000 1.136 11 D HN 0.268 nan 8.370 nan 0.000 0.469 12 L N 4.348 125.579 121.223 0.013 0.000 2.275 12 L HA -0.102 4.238 4.340 0.001 0.000 0.215 12 L C 1.880 178.735 176.870 -0.025 0.000 1.119 12 L CA 0.850 55.744 54.840 0.091 0.000 0.790 12 L CB -1.070 41.074 42.059 0.142 0.000 0.919 12 L HN 0.446 nan 8.230 nan 0.000 0.443 13 N N -0.273 118.385 118.700 -0.071 0.000 2.348 13 N HA -0.178 4.562 4.740 0.001 0.000 0.185 13 N C 1.756 177.180 175.510 -0.144 0.000 1.019 13 N CA 0.690 53.694 53.050 -0.077 0.000 0.880 13 N CB -0.130 38.324 38.487 -0.056 0.000 0.965 13 N HN 0.177 nan 8.380 nan 0.000 0.437 14 L N 0.002 121.037 121.223 -0.314 0.000 2.127 14 L HA -0.070 4.271 4.340 0.001 0.000 0.211 14 L C 1.391 178.052 176.870 -0.349 0.000 1.089 14 L CA 1.345 55.934 54.840 -0.418 0.000 0.757 14 L CB -0.986 40.655 42.059 -0.698 0.000 0.899 14 L HN 0.143 nan 8.230 nan 0.000 0.434 15 F N -1.629 118.328 119.950 0.012 0.000 2.765 15 F HA 0.136 4.664 4.527 0.001 0.000 0.302 15 F C 1.247 177.020 175.800 -0.045 0.000 1.111 15 F CA -0.511 57.489 58.000 -0.000 0.000 1.359 15 F CB -0.140 38.863 39.000 0.005 0.000 1.097 15 F HN -0.222 nan 8.300 nan 0.000 0.577 16 R N 1.259 121.793 120.500 0.056 0.000 2.404 16 R HA 0.145 4.485 4.340 0.001 0.000 0.315 16 R C 1.107 177.411 176.300 0.006 0.000 1.032 16 R CA 0.922 57.026 56.100 0.007 0.000 0.992 16 R CB 0.056 30.346 30.300 -0.017 0.000 0.959 16 R HN 0.533 nan 8.270 nan 0.000 0.428 17 G N 2.741 111.547 108.800 0.010 0.000 2.176 17 G HA2 -0.266 3.694 3.960 0.001 0.000 0.253 17 G HA3 -0.266 3.694 3.960 0.001 0.000 0.253 17 G C 0.553 175.560 174.900 0.179 0.000 0.979 17 G CA 0.278 45.436 45.100 0.096 0.000 0.641 17 G HN 0.567 nan 8.290 nan 0.000 0.530 18 L N -0.660 120.635 121.223 0.120 0.000 2.663 18 L HA 0.589 4.929 4.340 0.001 0.000 0.218 18 L C 1.542 178.548 176.870 0.226 0.000 1.043 18 L CA 0.622 55.422 54.840 -0.066 0.000 0.876 18 L CB 0.225 42.002 42.059 -0.471 0.000 1.263 18 L HN 1.293 nan 8.230 nan 0.000 0.486 19 G N 1.202 110.170 108.800 0.280 0.000 2.566 19 G HA2 -0.175 3.786 3.960 0.001 0.000 0.599 19 G HA3 -0.175 3.786 3.960 0.001 0.000 0.599 19 G C -0.042 174.947 174.900 0.149 0.000 1.292 19 G CA -0.021 45.239 45.100 0.266 0.000 0.922 19 G HN 0.326 nan 8.290 nan 0.000 0.514 20 E N -0.701 119.457 120.200 -0.069 0.000 2.452 20 E HA 0.244 4.594 4.350 0.001 0.000 0.197 20 E C -0.053 176.526 176.600 -0.034 0.000 1.022 20 E CA 0.298 56.459 56.400 -0.399 0.000 0.890 20 E CB 0.907 30.213 29.700 -0.656 0.000 0.918 20 E HN 0.332 nan 8.360 nan 0.000 0.496 21 D N 0.474 120.948 120.400 0.123 0.000 2.478 21 D HA 0.154 4.795 4.640 0.001 0.000 0.240 21 D C -2.215 174.192 176.300 0.178 0.000 1.364 21 D CA -2.248 51.834 54.000 0.138 0.000 0.987 21 D CB 1.894 42.760 40.800 0.110 0.000 1.328 21 D HN -0.278 nan 8.370 nan 0.000 0.584 22 P HA 0.056 nan 4.420 nan 0.000 0.225 22 P C -0.076 177.192 177.300 -0.053 0.000 1.148 22 P CA 0.452 63.479 63.100 -0.121 0.000 0.779 22 P CB 0.254 31.704 31.700 -0.416 0.000 0.780 23 A N -0.370 122.438 122.820 -0.021 0.000 2.328 23 A HA 0.216 4.537 4.320 0.001 0.000 0.284 23 A C -0.613 176.911 177.584 -0.101 0.000 1.160 23 A CA -0.417 51.579 52.037 -0.068 0.000 0.818 23 A CB -0.558 18.379 19.000 -0.106 0.000 1.087 23 A HN 0.084 nan 8.150 nan 0.000 0.504 24 Y N 2.478 122.647 120.300 -0.219 0.000 2.526 24 Y HA 0.294 4.844 4.550 0.001 0.000 0.330 24 Y C -0.002 175.643 175.900 -0.426 0.000 1.156 24 Y CA 0.928 58.904 58.100 -0.208 0.000 1.419 24 Y CB 0.118 38.497 38.460 -0.135 0.000 1.250 24 Y HN 0.738 nan 8.280 nan 0.000 0.540 25 H N 6.360 125.046 119.070 -0.641 0.000 2.589 25 H HA 0.362 4.918 4.556 0.001 0.000 0.351 25 H C -2.230 172.499 175.328 -0.998 0.000 1.074 25 H CA -2.028 53.634 56.048 -0.643 0.000 1.203 25 H CB 1.231 30.812 29.762 -0.302 0.000 1.558 25 H HN 0.547 nan 8.280 nan 0.000 0.522 26 P HA 0.084 nan 4.420 nan 0.000 0.270 26 P C -2.450 174.638 177.300 -0.354 0.000 1.223 26 P CA -1.212 61.587 63.100 -0.503 0.000 0.785 26 P CB 0.100 31.699 31.700 -0.168 0.000 0.923 27 P HA 0.161 nan 4.420 nan 0.000 0.272 27 P C -0.692 176.467 177.300 -0.236 0.000 1.230 27 P CA -0.137 62.708 63.100 -0.426 0.000 0.788 27 P CB 0.292 31.372 31.700 -1.035 0.000 0.949 28 V N -0.763 119.072 119.914 -0.131 0.000 2.914 28 V HA 0.526 4.647 4.120 0.001 0.000 0.314 28 V C -0.629 175.477 176.094 0.020 0.000 1.084 28 V CA -1.078 61.192 62.300 -0.050 0.000 0.963 28 V CB 1.790 33.586 31.823 -0.046 0.000 1.025 28 V HN 0.169 nan 8.190 nan 0.000 0.432 29 L N 3.002 124.252 121.223 0.045 0.000 2.379 29 L HA 0.630 4.970 4.340 0.001 0.000 0.269 29 L C 1.371 178.269 176.870 0.047 0.000 1.084 29 L CA 0.704 55.588 54.840 0.073 0.000 0.802 29 L CB 1.127 43.239 42.059 0.088 0.000 1.175 29 L HN 1.139 nan 8.230 nan 0.000 0.448 30 T N -2.947 111.636 114.554 0.048 0.000 3.098 30 T HA 0.003 4.353 4.350 0.001 0.000 0.246 30 T C 0.796 175.521 174.700 0.040 0.000 0.983 30 T CA 0.392 62.512 62.100 0.034 0.000 1.094 30 T CB 0.025 68.907 68.868 0.024 0.000 1.035 30 T HN 0.521 nan 8.240 nan 0.000 0.456 31 D N 2.120 122.549 120.400 0.047 0.000 2.328 31 D HA 0.119 4.759 4.640 0.001 0.000 0.221 31 D C 0.419 176.775 176.300 0.094 0.000 1.072 31 D CA -0.312 53.721 54.000 0.054 0.000 0.850 31 D CB -0.057 40.766 40.800 0.038 0.000 0.922 31 D HN 0.586 nan 8.370 nan 0.000 0.516 32 R N -0.384 120.184 120.500 0.113 0.000 2.680 32 R HA 0.570 4.910 4.340 0.001 0.000 0.269 32 R C -2.885 173.510 176.300 0.159 0.000 1.026 32 R CA -1.584 54.632 56.100 0.194 0.000 0.889 32 R CB -0.158 30.305 30.300 0.272 0.000 1.241 32 R HN -0.208 nan 8.270 nan 0.000 0.463 33 P HA 0.100 nan 4.420 nan 0.000 0.271 33 P C -0.292 177.109 177.300 0.169 0.000 1.218 33 P CA -0.441 62.724 63.100 0.109 0.000 0.780 33 P CB 1.093 32.804 31.700 0.017 0.000 0.901 34 R N 0.896 121.464 120.500 0.113 0.000 2.115 34 R HA -0.041 4.300 4.340 0.001 0.000 0.230 34 R C -0.138 176.246 176.300 0.140 0.000 1.111 34 R CA 1.012 57.182 56.100 0.117 0.000 0.976 34 R CB 0.144 30.488 30.300 0.074 0.000 0.870 34 R HN 0.553 nan 8.270 nan 0.000 0.445 35 D N 0.263 120.731 120.400 0.115 0.000 2.485 35 D HA -0.004 4.636 4.640 0.001 0.000 0.221 35 D C -0.803 175.574 176.300 0.129 0.000 1.112 35 D CA -0.141 53.927 54.000 0.114 0.000 0.911 35 D CB 0.266 41.099 40.800 0.055 0.000 1.019 35 D HN 0.195 nan 8.370 nan 0.000 0.516 36 W N 4.717 126.040 121.300 0.037 0.000 2.266 36 W HA 0.167 4.827 4.660 0.001 0.000 0.317 36 W C -2.149 174.406 176.519 0.061 0.000 1.310 36 W CA -1.602 55.767 57.345 0.040 0.000 1.207 36 W CB 0.977 30.455 29.460 0.031 0.000 1.199 36 W HN 0.174 nan 8.180 nan 0.000 0.544 37 P HA 0.002 nan 4.420 nan 0.000 0.276 37 P C 0.600 177.999 177.300 0.166 0.000 1.243 37 P CA -0.220 62.846 63.100 -0.055 0.000 0.768 37 P CB 1.325 32.912 31.700 -0.188 0.000 0.856 38 L N 2.825 124.165 121.223 0.195 0.000 2.131 38 L HA -0.154 4.187 4.340 0.001 0.000 0.210 38 L C 2.024 179.039 176.870 0.242 0.000 1.092 38 L CA 1.810 56.807 54.840 0.262 0.000 0.759 38 L CB -1.231 40.913 42.059 0.141 0.000 0.903 38 L HN 0.518 nan 8.230 nan 0.000 0.435 39 D N -0.938 119.551 120.400 0.148 0.000 2.371 39 D HA -0.192 4.449 4.640 0.001 0.000 0.221 39 D C 1.271 177.671 176.300 0.167 0.000 0.986 39 D CA 0.557 54.632 54.000 0.124 0.000 0.899 39 D CB -0.025 40.812 40.800 0.061 0.000 0.902 39 D HN 0.339 nan 8.370 nan 0.000 0.530 40 R N -0.699 119.943 120.500 0.237 0.000 2.652 40 R HA 0.115 4.456 4.340 0.001 0.000 0.372 40 R C 0.705 177.337 176.300 0.554 0.000 1.104 40 R CA -0.503 55.790 56.100 0.323 0.000 1.072 40 R CB -0.301 30.129 30.300 0.217 0.000 1.367 40 R HN 0.196 nan 8.270 nan 0.000 0.577 41 W N 1.024 122.490 121.300 0.275 0.000 2.374 41 W HA -0.161 4.500 4.660 0.001 0.000 0.288 41 W C 1.597 178.155 176.519 0.064 0.000 1.218 41 W CA 1.795 59.261 57.345 0.202 0.000 1.245 41 W CB 0.177 29.710 29.460 0.121 0.000 1.126 41 W HN 0.118 nan 8.180 nan 0.000 0.545 42 A N 0.078 123.031 122.820 0.221 0.000 2.167 42 A HA -0.050 4.270 4.320 0.001 0.000 0.214 42 A C 1.628 179.125 177.584 -0.145 0.000 1.151 42 A CA 1.275 53.260 52.037 -0.087 0.000 0.735 42 A CB -0.500 18.619 19.000 0.198 0.000 0.802 42 A HN 0.537 nan 8.150 nan 0.000 0.467 43 E N 0.159 120.356 120.200 -0.006 0.000 2.474 43 E HA 0.271 4.622 4.350 0.001 0.000 0.194 43 E C 0.706 177.229 176.600 -0.128 0.000 1.041 43 E CA 0.113 56.535 56.400 0.036 0.000 0.874 43 E CB 0.061 29.896 29.700 0.226 0.000 0.914 43 E HN 0.556 nan 8.360 nan 0.000 0.498 44 A N 3.503 126.004 122.820 -0.531 0.000 2.425 44 A HA 0.241 4.561 4.320 0.001 0.000 0.249 44 A C -1.989 175.117 177.584 -0.798 0.000 1.084 44 A CA -1.182 50.061 52.037 -1.324 0.000 0.781 44 A CB -0.174 17.698 19.000 -1.881 0.000 1.019 44 A HN -0.062 nan 8.150 nan 0.000 0.490 45 P HA 0.201 nan 4.420 nan 0.000 0.272 45 P C 0.007 177.084 177.300 -0.371 0.000 1.223 45 P CA -0.250 62.613 63.100 -0.396 0.000 0.784 45 P CB 0.668 32.198 31.700 -0.283 0.000 0.923 46 R N 0.536 120.876 120.500 -0.266 0.000 2.308 46 R HA 0.090 4.431 4.340 0.001 0.000 0.202 46 R C 0.823 177.016 176.300 -0.179 0.000 0.898 46 R CA 0.355 56.317 56.100 -0.231 0.000 1.046 46 R CB -0.135 30.049 30.300 -0.194 0.000 1.026 46 R HN 0.679 nan 8.270 nan 0.000 0.512 47 D N -0.016 120.284 120.400 -0.166 0.000 2.411 47 D HA -0.045 4.596 4.640 0.001 0.000 0.251 47 D C 1.246 177.437 176.300 -0.182 0.000 1.201 47 D CA -0.547 53.361 54.000 -0.153 0.000 0.996 47 D CB 1.296 42.018 40.800 -0.131 0.000 1.101 47 D HN -0.228 nan 8.370 nan 0.000 0.504 48 L N 0.228 121.312 121.223 -0.231 0.000 2.046 48 L HA 0.028 4.369 4.340 0.001 0.000 0.208 48 L C 2.036 178.687 176.870 -0.366 0.000 1.077 48 L CA 2.727 57.347 54.840 -0.366 0.000 0.747 48 L CB -1.028 40.690 42.059 -0.569 0.000 0.896 48 L HN 0.972 nan 8.230 nan 0.000 0.432 49 G N -2.989 105.657 108.800 -0.258 0.000 2.254 49 G HA2 -0.297 3.663 3.960 0.001 0.000 0.225 49 G HA3 -0.297 3.663 3.960 0.001 0.000 0.225 49 G C 0.198 175.104 174.900 0.011 0.000 1.003 49 G CA 0.240 45.289 45.100 -0.086 0.000 0.622 49 G HN 0.570 nan 8.290 nan 0.000 0.507 50 Y N -0.364 119.920 120.300 -0.027 0.000 2.669 50 Y HA 0.830 5.380 4.550 0.001 0.000 0.335 50 Y C 0.303 176.190 175.900 -0.022 0.000 1.116 50 Y CA -1.072 57.013 58.100 -0.026 0.000 1.081 50 Y CB 0.802 39.242 38.460 -0.033 0.000 1.297 50 Y HN 0.426 nan 8.280 nan 0.000 0.484 51 S N 1.341 117.153 115.700 0.187 0.000 2.525 51 S HA 0.030 4.500 4.470 0.001 0.000 0.285 51 S C 0.232 174.928 174.600 0.159 0.000 1.283 51 S CA -0.158 58.117 58.200 0.124 0.000 1.072 51 S CB -0.295 62.987 63.200 0.136 0.000 0.867 51 S HN 0.772 nan 8.310 nan 0.000 0.492 52 D N 5.181 125.611 120.400 0.050 0.000 2.538 52 D HA -0.021 4.620 4.640 0.001 0.000 0.234 52 D C 0.831 177.174 176.300 0.073 0.000 1.191 52 D CA -0.335 53.675 54.000 0.018 0.000 0.828 52 D CB -0.630 40.141 40.800 -0.047 0.000 0.981 52 D HN 0.630 nan 8.370 nan 0.000 0.490 53 F N 0.966 120.915 119.950 -0.000 0.000 2.022 53 F HA -0.037 4.491 4.527 0.001 0.000 0.293 53 F C 0.947 176.755 175.800 0.013 0.000 1.142 53 F CA 1.066 59.072 58.000 0.010 0.000 1.177 53 F CB 0.191 39.197 39.000 0.011 0.000 0.982 53 F HN 0.056 nan 8.300 nan 0.000 0.473 54 S N 1.189 116.395 115.700 -0.824 0.000 2.486 54 S HA 0.342 4.812 4.470 0.001 0.000 0.144 54 S C -2.149 172.195 174.600 -0.427 0.000 1.542 54 S CA -0.945 56.788 58.200 -0.780 0.000 1.262 54 S CB 0.366 62.805 63.200 -1.268 0.000 1.462 54 S HN 0.262 nan 8.310 nan 0.000 0.381 55 P HA 0.212 nan 4.420 nan 0.000 0.256 55 P C -0.461 176.619 177.300 -0.366 0.000 1.384 55 P CA -0.158 62.732 63.100 -0.350 0.000 0.879 55 P CB -0.386 31.150 31.700 -0.273 0.000 1.403 56 Y N 1.125 121.424 120.300 -0.002 0.000 2.374 56 Y HA 0.436 4.987 4.550 0.001 0.000 0.322 56 Y C 1.301 177.182 175.900 -0.031 0.000 1.275 56 Y CA -0.515 57.572 58.100 -0.023 0.000 1.307 56 Y CB 1.194 39.599 38.460 -0.093 0.000 1.282 56 Y HN -0.016 nan 8.280 nan 0.000 0.509 57 Q N 0.390 120.242 119.800 0.087 0.000 2.630 57 Q HA 0.392 4.732 4.340 0.001 0.000 0.295 57 Q C -2.109 173.923 176.000 0.053 0.000 0.944 57 Q CA -1.102 54.643 55.803 -0.097 0.000 0.766 57 Q CB 2.663 31.050 28.738 -0.586 0.000 1.471 57 Q HN 0.820 nan 8.270 nan 0.000 0.416 58 W N 1.954 123.120 121.300 -0.223 0.000 3.036 58 W HA 0.411 5.071 4.660 0.001 0.000 0.337 58 W C -0.951 175.493 176.519 -0.126 0.000 1.055 58 W CA -0.605 56.666 57.345 -0.123 0.000 1.248 58 W CB 1.407 30.842 29.460 -0.041 0.000 1.335 58 W HN 0.960 nan 8.180 nan 0.000 0.446 59 R N 3.632 123.749 120.500 -0.638 0.000 3.127 59 R HA -0.210 4.131 4.340 0.001 0.000 0.247 59 R C 0.981 177.111 176.300 -0.284 0.000 0.896 59 R CA 1.334 57.133 56.100 -0.501 0.000 0.624 59 R CB -1.650 28.323 30.300 -0.544 0.000 1.154 59 R HN 1.046 nan 8.270 nan 0.000 0.474 60 G N -0.426 108.180 108.800 -0.322 0.000 2.180 60 G HA2 -0.333 3.627 3.960 0.001 0.000 0.263 60 G HA3 -0.333 3.627 3.960 0.001 0.000 0.263 60 G C 0.171 174.943 174.900 -0.214 0.000 0.989 60 G CA 0.696 45.632 45.100 -0.274 0.000 0.692 60 G HN 0.372 nan 8.290 nan 0.000 0.526 61 L N -0.333 120.768 121.223 -0.202 0.000 2.346 61 L HA 0.566 4.906 4.340 0.001 0.000 0.274 61 L C 1.104 177.938 176.870 -0.061 0.000 1.007 61 L CA -1.256 53.546 54.840 -0.062 0.000 0.818 61 L CB 1.448 43.525 42.059 0.031 0.000 1.284 61 L HN 0.050 nan 8.230 nan 0.000 0.424 62 R N 2.354 122.882 120.500 0.046 0.000 2.643 62 R HA 0.348 4.688 4.340 0.001 0.000 0.270 62 R C -0.678 175.661 176.300 0.064 0.000 1.061 62 R CA 0.023 56.184 56.100 0.101 0.000 1.107 62 R CB 0.554 30.958 30.300 0.172 0.000 0.999 62 R HN 0.420 nan 8.270 nan 0.000 0.460 63 M N 3.869 123.496 119.600 0.045 0.000 2.197 63 M HA 0.175 4.655 4.480 0.001 0.000 0.301 63 M C 0.658 176.949 176.300 -0.016 0.000 0.987 63 M CA -0.321 54.963 55.300 -0.027 0.000 0.921 63 M CB 2.040 34.571 32.600 -0.114 0.000 1.569 63 M HN 0.573 nan 8.290 nan 0.000 0.431 64 L N 1.235 122.437 121.223 -0.035 0.000 2.209 64 L HA 0.037 4.377 4.340 0.001 0.000 0.207 64 L C 0.669 177.492 176.870 -0.077 0.000 1.094 64 L CA 0.807 55.620 54.840 -0.045 0.000 0.790 64 L CB -0.211 41.840 42.059 -0.014 0.000 0.932 64 L HN 0.587 nan 8.230 nan 0.000 0.447 65 K N 1.897 122.200 120.400 -0.161 0.000 2.383 65 K HA 0.067 4.388 4.320 0.001 0.000 0.286 65 K C -0.399 176.011 176.600 -0.316 0.000 1.051 65 K CA -0.406 55.750 56.287 -0.219 0.000 0.974 65 K CB 0.478 32.782 32.500 -0.326 0.000 0.968 65 K HN 0.091 nan 8.250 nan 0.000 0.475 66 D N 3.116 123.343 120.400 -0.288 0.000 2.383 66 D HA 0.082 4.723 4.640 0.001 0.000 0.248 66 D C -1.906 174.046 176.300 -0.580 0.000 1.170 66 D CA -1.986 51.684 54.000 -0.550 0.000 0.977 66 D CB 0.384 40.980 40.800 -0.340 0.000 1.120 66 D HN 0.076 nan 8.370 nan 0.000 0.481 67 P HA -0.178 nan 4.420 nan 0.000 0.216 67 P C 0.647 177.787 177.300 -0.267 0.000 1.154 67 P CA 1.381 64.209 63.100 -0.453 0.000 0.865 67 P CB 0.084 31.550 31.700 -0.389 0.000 0.789 68 D N -1.615 118.656 120.400 -0.216 0.000 2.144 68 D HA -0.088 4.553 4.640 0.001 0.000 0.200 68 D C 1.812 178.043 176.300 -0.115 0.000 0.978 68 D CA 1.343 55.267 54.000 -0.126 0.000 0.833 68 D CB -0.638 40.108 40.800 -0.091 0.000 0.961 68 D HN 0.178 nan 8.370 nan 0.000 0.470 69 T N 1.326 115.795 114.554 -0.142 0.000 2.737 69 T HA -0.148 4.202 4.350 0.001 0.000 0.265 69 T C 2.031 176.693 174.700 -0.063 0.000 1.038 69 T CA 0.982 63.021 62.100 -0.103 0.000 1.144 69 T CB -0.190 68.637 68.868 -0.069 0.000 0.866 69 T HN 0.198 nan 8.240 nan 0.000 0.434 70 Q N 0.617 120.287 119.800 -0.217 0.000 2.133 70 Q HA -0.160 4.180 4.340 0.001 0.000 0.208 70 Q C 2.642 178.707 176.000 0.109 0.000 0.991 70 Q CA 1.676 57.317 55.803 -0.270 0.000 0.867 70 Q CB -0.352 28.060 28.738 -0.542 0.000 0.911 70 Q HN 0.565 nan 8.270 nan 0.000 0.417 71 A N 0.002 122.829 122.820 0.012 0.000 1.930 71 A HA -0.113 4.208 4.320 0.001 0.000 0.217 71 A C 2.281 179.910 177.584 0.076 0.000 1.175 71 A CA 1.178 53.251 52.037 0.060 0.000 0.627 71 A CB -0.459 18.537 19.000 -0.008 0.000 0.815 71 A HN 0.223 nan 8.150 nan 0.000 0.443 72 V N -1.668 118.231 119.914 -0.026 0.000 2.358 72 V HA -0.250 3.870 4.120 0.001 0.000 0.246 72 V C 2.277 178.199 176.094 -0.286 0.000 1.047 72 V CA 1.755 63.945 62.300 -0.183 0.000 1.035 72 V CB -0.940 30.717 31.823 -0.277 0.000 0.658 72 V HN 0.696 nan 8.190 nan 0.000 0.452 73 Y N -0.504 119.793 120.300 -0.006 0.000 2.314 73 Y HA -0.204 4.346 4.550 0.001 0.000 0.293 73 Y C 2.593 178.541 175.900 0.080 0.000 1.129 73 Y CA 1.791 59.939 58.100 0.081 0.000 1.201 73 Y CB -0.328 38.349 38.460 0.362 0.000 0.999 73 Y HN 0.418 nan 8.280 nan 0.000 0.541 74 H N 0.271 119.471 119.070 0.218 0.000 2.267 74 H HA -0.177 4.379 4.556 0.001 0.000 0.297 74 H C 1.747 177.121 175.328 0.078 0.000 1.080 74 H CA 2.352 58.458 56.048 0.097 0.000 1.278 74 H CB -0.274 29.538 29.762 0.084 0.000 1.365 74 H HN 0.107 nan 8.280 nan 0.000 0.489 75 D N 0.033 120.459 120.400 0.044 0.000 2.123 75 D HA -0.200 4.441 4.640 0.001 0.000 0.196 75 D C 2.390 178.702 176.300 0.020 0.000 0.992 75 D CA 1.439 55.480 54.000 0.067 0.000 0.833 75 D CB -0.411 40.506 40.800 0.195 0.000 0.954 75 D HN 0.477 nan 8.370 nan 0.000 0.455 76 M N -0.240 119.218 119.600 -0.238 0.000 2.067 76 M HA -0.181 4.299 4.480 0.001 0.000 0.260 76 M C 1.746 177.999 176.300 -0.077 0.000 1.069 76 M CA 1.084 56.205 55.300 -0.298 0.000 1.117 76 M CB -0.022 32.212 32.600 -0.609 0.000 1.334 76 M HN -0.032 nan 8.290 nan 0.000 0.407 77 L N -0.025 121.166 121.223 -0.054 0.000 2.043 77 L HA -0.297 4.044 4.340 0.001 0.000 0.212 77 L C 2.262 179.134 176.870 0.003 0.000 1.075 77 L CA 2.022 56.844 54.840 -0.031 0.000 0.752 77 L CB -1.521 40.512 42.059 -0.043 0.000 0.891 77 L HN 0.620 nan 8.230 nan 0.000 0.432 78 W N 0.367 121.545 121.300 -0.203 0.000 2.402 78 W HA -0.163 4.498 4.660 0.001 0.000 0.286 78 W C 2.261 178.748 176.519 -0.053 0.000 1.221 78 W CA 1.540 58.789 57.345 -0.161 0.000 1.257 78 W CB 0.147 29.460 29.460 -0.244 0.000 1.120 78 W HN 0.339 nan 8.180 nan 0.000 0.551 79 E N 0.123 120.363 120.200 0.067 0.000 2.076 79 E HA -0.193 4.158 4.350 0.001 0.000 0.190 79 E C 2.315 178.904 176.600 -0.019 0.000 0.979 79 E CA 0.829 57.245 56.400 0.026 0.000 0.807 79 E CB -0.344 29.470 29.700 0.190 0.000 0.761 79 E HN 0.142 nan 8.360 nan 0.000 0.454 80 L N 0.652 121.888 121.223 0.020 0.000 2.307 80 L HA 0.084 4.425 4.340 0.001 0.000 0.211 80 L C 0.158 177.020 176.870 -0.013 0.000 1.099 80 L CA 0.791 55.661 54.840 0.051 0.000 0.816 80 L CB -0.157 41.966 42.059 0.107 0.000 0.952 80 L HN 0.155 nan 8.230 nan 0.000 0.455 81 R N 0.556 121.015 120.500 -0.069 0.000 3.127 81 R HA -0.121 4.219 4.340 0.001 0.000 0.247 81 R C -2.203 174.070 176.300 -0.046 0.000 0.896 81 R CA 0.044 56.092 56.100 -0.087 0.000 0.624 81 R CB -1.716 28.505 30.300 -0.132 0.000 1.154 81 R HN 0.374 nan 8.270 nan 0.000 0.474 82 P HA 0.064 nan 4.420 nan 0.000 0.276 82 P C 0.057 177.326 177.300 -0.051 0.000 1.230 82 P CA -0.192 62.888 63.100 -0.034 0.000 0.776 82 P CB 1.041 32.705 31.700 -0.061 0.000 0.888 83 R N 1.136 121.614 120.500 -0.038 0.000 2.119 83 R HA 0.106 4.447 4.340 0.001 0.000 0.222 83 R C 0.474 176.731 176.300 -0.073 0.000 1.088 83 R CA 1.374 57.447 56.100 -0.045 0.000 0.984 83 R CB -0.340 29.946 30.300 -0.024 0.000 0.884 83 R HN 0.510 nan 8.270 nan 0.000 0.447 84 T N 0.100 114.595 114.554 -0.097 0.000 2.879 84 T HA 0.553 4.904 4.350 0.001 0.000 0.290 84 T C -0.528 174.082 174.700 -0.149 0.000 0.993 84 T CA -0.556 61.473 62.100 -0.118 0.000 0.975 84 T CB 1.928 70.719 68.868 -0.129 0.000 0.981 84 T HN -0.100 nan 8.240 nan 0.000 0.439 85 I N 2.453 122.897 120.570 -0.209 0.000 2.433 85 I HA 0.582 4.753 4.170 0.001 0.000 0.292 85 I C -0.694 175.246 176.117 -0.295 0.000 1.001 85 I CA -1.160 59.942 61.300 -0.331 0.000 1.119 85 I CB 2.105 39.735 38.000 -0.616 0.000 1.289 85 I HN 0.288 nan 8.210 nan 0.000 0.438 86 V N 5.350 125.076 119.914 -0.313 0.000 2.357 86 V HA 0.279 4.399 4.120 0.001 0.000 0.281 86 V C -0.109 175.695 176.094 -0.482 0.000 1.015 86 V CA -0.737 61.361 62.300 -0.336 0.000 0.827 86 V CB 1.283 32.924 31.823 -0.303 0.000 1.018 86 V HN 0.630 nan 8.190 nan 0.000 0.432 87 E N 3.935 123.943 120.200 -0.321 0.000 2.259 87 E HA 0.264 4.615 4.350 0.001 0.000 0.281 87 E C -0.543 175.900 176.600 -0.261 0.000 1.037 87 E CA -0.310 55.935 56.400 -0.258 0.000 0.854 87 E CB 2.281 31.927 29.700 -0.089 0.000 1.051 87 E HN 0.504 nan 8.360 nan 0.000 0.409 88 L N 3.492 124.534 121.223 -0.301 0.000 2.397 88 L HA 0.340 4.680 4.340 0.001 0.000 0.263 88 L C -0.067 176.772 176.870 -0.052 0.000 1.136 88 L CA 0.073 54.826 54.840 -0.146 0.000 1.019 88 L CB -0.205 41.790 42.059 -0.106 0.000 1.352 88 L HN 0.704 nan 8.230 nan 0.000 0.420 89 G N 2.253 111.040 108.800 -0.023 0.000 2.764 89 G HA2 -0.032 3.929 3.960 0.001 0.000 0.678 89 G HA3 -0.032 3.929 3.960 0.001 0.000 0.678 89 G C -0.553 174.361 174.900 0.024 0.000 1.341 89 G CA -0.451 44.648 45.100 -0.000 0.000 0.836 89 G HN 0.175 nan 8.290 nan 0.000 0.632 90 V N 2.401 122.353 119.914 0.064 0.000 2.996 90 V HA 0.287 4.408 4.120 0.001 0.000 0.235 90 V C 1.475 177.666 176.094 0.161 0.000 1.205 90 V CA 1.904 64.253 62.300 0.082 0.000 1.225 90 V CB -0.938 30.918 31.823 0.054 0.000 0.995 90 V HN 1.701 nan 8.190 nan 0.000 0.484 91 Y N 2.380 122.694 120.300 0.024 0.000 2.817 91 Y HA -0.536 4.014 4.550 0.001 0.000 0.471 91 Y C 1.744 177.668 175.900 0.040 0.000 1.142 91 Y CA 2.482 60.605 58.100 0.039 0.000 2.725 91 Y CB -1.520 36.969 38.460 0.048 0.000 1.169 91 Y HN 0.557 nan 8.280 nan 0.000 0.619 92 N N 1.278 119.829 118.700 -0.248 0.000 2.373 92 N HA 0.340 5.080 4.740 0.001 0.000 0.181 92 N C 1.306 176.771 175.510 -0.075 0.000 1.082 92 N CA 1.060 53.931 53.050 -0.299 0.000 0.885 92 N CB 0.731 39.030 38.487 -0.314 0.000 0.977 92 N HN 1.340 nan 8.380 nan 0.000 0.462 93 G N -0.994 107.812 108.800 0.010 0.000 2.175 93 G HA2 -0.272 3.689 3.960 0.001 0.000 0.244 93 G HA3 -0.272 3.689 3.960 0.001 0.000 0.244 93 G C 1.030 175.966 174.900 0.061 0.000 0.982 93 G CA 0.144 45.266 45.100 0.037 0.000 0.641 93 G HN 0.581 nan 8.290 nan 0.000 0.527 94 G N 0.858 109.693 108.800 0.060 0.000 2.513 94 G HA2 -0.113 3.847 3.960 0.001 0.000 0.219 94 G HA3 -0.113 3.847 3.960 0.001 0.000 0.219 94 G C 1.964 176.888 174.900 0.041 0.000 1.160 94 G CA 2.236 47.378 45.100 0.070 0.000 0.767 94 G HN 0.945 nan 8.290 nan 0.000 0.571 95 S N 0.400 116.099 115.700 -0.001 0.000 2.370 95 S HA -0.091 4.379 4.470 0.001 0.000 0.226 95 S C 2.269 176.932 174.600 0.105 0.000 1.033 95 S CA 1.010 59.181 58.200 -0.049 0.000 1.011 95 S CB -0.252 62.931 63.200 -0.028 0.000 0.852 95 S HN 0.157 nan 8.310 nan 0.000 0.457 96 L N 1.750 123.059 121.223 0.142 0.000 1.989 96 L HA -0.070 4.270 4.340 0.001 0.000 0.211 96 L C 2.711 179.668 176.870 0.144 0.000 1.071 96 L CA 1.893 56.831 54.840 0.164 0.000 0.749 96 L CB -1.673 40.444 42.059 0.096 0.000 0.890 96 L HN 0.319 nan 8.230 nan 0.000 0.431 97 A N -1.787 121.111 122.820 0.131 0.000 1.933 97 A HA -0.277 4.043 4.320 0.001 0.000 0.218 97 A C 2.196 179.865 177.584 0.143 0.000 1.175 97 A CA 1.645 53.782 52.037 0.167 0.000 0.628 97 A CB -1.189 17.952 19.000 0.236 0.000 0.814 97 A HN 0.609 nan 8.150 nan 0.000 0.444 98 W N -0.433 120.705 121.300 -0.269 0.000 2.378 98 W HA -0.125 4.535 4.660 0.001 0.000 0.313 98 W C 1.842 178.091 176.519 -0.451 0.000 1.197 98 W CA 1.718 58.591 57.345 -0.787 0.000 1.304 98 W CB -0.617 28.199 29.460 -1.074 0.000 1.148 98 W HN 0.289 nan 8.180 nan 0.000 0.494 99 F N 0.534 120.310 119.950 -0.290 0.000 2.161 99 F HA -0.268 4.260 4.527 0.001 0.000 0.300 99 F C 2.852 178.447 175.800 -0.341 0.000 1.089 99 F CA 1.633 59.373 58.000 -0.434 0.000 1.282 99 F CB -0.463 38.407 39.000 -0.217 0.000 1.010 99 F HN -0.184 nan 8.300 nan 0.000 0.485 100 R N 0.829 121.334 120.500 0.009 0.000 2.062 100 R HA -0.132 4.209 4.340 0.001 0.000 0.229 100 R C 1.644 177.929 176.300 -0.026 0.000 1.128 100 R CA 1.690 57.788 56.100 -0.003 0.000 0.960 100 R CB -0.806 29.517 30.300 0.038 0.000 0.855 100 R HN 0.182 nan 8.270 nan 0.000 0.432 101 D N 0.808 121.202 120.400 -0.010 0.000 2.144 101 D HA -0.169 4.472 4.640 0.001 0.000 0.199 101 D C 1.810 178.079 176.300 -0.052 0.000 0.984 101 D CA 0.766 54.800 54.000 0.057 0.000 0.834 101 D CB 0.018 41.005 40.800 0.312 0.000 0.955 101 D HN 0.123 nan 8.370 nan 0.000 0.465 102 L N 0.926 121.979 121.223 -0.283 0.000 2.068 102 L HA -0.084 4.256 4.340 0.001 0.000 0.204 102 L C 2.499 179.270 176.870 -0.165 0.000 1.076 102 L CA 1.785 56.414 54.840 -0.351 0.000 0.753 102 L CB -1.377 40.175 42.059 -0.845 0.000 0.910 102 L HN 0.076 nan 8.230 nan 0.000 0.439 103 T N -2.623 111.841 114.554 -0.150 0.000 2.822 103 T HA -0.298 4.053 4.350 0.001 0.000 0.270 103 T C 1.945 176.632 174.700 -0.023 0.000 1.064 103 T CA 1.797 63.856 62.100 -0.068 0.000 1.131 103 T CB -0.387 68.441 68.868 -0.068 0.000 0.858 103 T HN 0.290 nan 8.240 nan 0.000 0.483 104 K N 1.305 121.695 120.400 -0.017 0.000 2.062 104 K HA 0.078 4.399 4.320 0.001 0.000 0.205 104 K C 2.230 178.850 176.600 0.033 0.000 1.051 104 K CA 1.172 57.466 56.287 0.013 0.000 0.941 104 K CB -0.330 32.184 32.500 0.023 0.000 0.719 104 K HN 0.613 nan 8.250 nan 0.000 0.440 105 I N -0.983 119.611 120.570 0.041 0.000 2.761 105 I HA -0.098 4.072 4.170 0.001 0.000 0.261 105 I C 1.918 178.091 176.117 0.094 0.000 1.198 105 I CA 0.781 62.119 61.300 0.064 0.000 1.482 105 I CB -0.246 37.798 38.000 0.074 0.000 1.100 105 I HN 0.044 nan 8.210 nan 0.000 0.445 106 M N 1.132 120.796 119.600 0.106 0.000 2.562 106 M HA 0.192 4.672 4.480 0.001 0.000 0.257 106 M C 1.678 178.056 176.300 0.128 0.000 1.099 106 M CA 1.088 56.506 55.300 0.197 0.000 1.099 106 M CB 0.053 32.789 32.600 0.226 0.000 1.427 106 M HN 0.553 nan 8.290 nan 0.000 0.489 107 G N 1.352 110.192 108.800 0.068 0.000 2.179 107 G HA2 -0.257 3.703 3.960 0.001 0.000 0.260 107 G HA3 -0.257 3.703 3.960 0.001 0.000 0.260 107 G C 0.188 175.092 174.900 0.008 0.000 0.977 107 G CA -0.281 44.841 45.100 0.037 0.000 0.641 107 G HN 0.441 nan 8.290 nan 0.000 0.533 108 I N 1.484 122.052 120.570 -0.003 0.000 2.618 108 I HA 0.168 4.339 4.170 0.001 0.000 0.284 108 I C 0.585 176.688 176.117 -0.023 0.000 1.146 108 I CA 0.015 61.298 61.300 -0.028 0.000 1.425 108 I CB 0.645 38.620 38.000 -0.042 0.000 1.383 108 I HN 0.146 nan 8.210 nan 0.000 0.562 109 D N 6.479 126.865 120.400 -0.024 0.000 2.402 109 D HA 0.189 4.829 4.640 0.001 0.000 0.235 109 D C -1.090 175.194 176.300 -0.027 0.000 1.226 109 D CA -0.004 53.985 54.000 -0.018 0.000 0.918 109 D CB 0.414 41.207 40.800 -0.012 0.000 1.043 109 D HN 0.439 nan 8.370 nan 0.000 0.506 110 C N 4.556 123.837 119.300 -0.032 0.000 2.498 110 C HA 0.486 4.946 4.460 0.001 0.000 0.316 110 C C -0.986 173.979 174.990 -0.041 0.000 1.209 110 C CA -0.673 58.317 59.018 -0.047 0.000 1.518 110 C CB 1.262 28.961 27.740 -0.068 0.000 2.147 110 C HN 0.540 nan 8.230 nan 0.000 0.483 111 Q N 3.049 122.821 119.800 -0.047 0.000 2.245 111 Q HA 0.613 4.953 4.340 0.001 0.000 0.256 111 Q C -0.824 175.138 176.000 -0.064 0.000 0.942 111 Q CA -0.387 55.394 55.803 -0.038 0.000 0.896 111 Q CB 1.917 30.640 28.738 -0.024 0.000 1.272 111 Q HN 0.605 nan 8.270 nan 0.000 0.442 112 V N 3.260 123.146 119.914 -0.047 0.000 2.448 112 V HA 0.485 4.606 4.120 0.001 0.000 0.295 112 V C -0.256 175.816 176.094 -0.036 0.000 1.025 112 V CA -0.691 61.568 62.300 -0.069 0.000 0.859 112 V CB 1.527 33.327 31.823 -0.038 0.000 0.988 112 V HN 0.586 nan 8.190 nan 0.000 0.431 113 I N 3.175 123.710 120.570 -0.059 0.000 2.441 113 I HA 0.741 4.912 4.170 0.001 0.000 0.295 113 I C 0.672 176.767 176.117 -0.037 0.000 0.994 113 I CA 0.017 61.303 61.300 -0.023 0.000 1.144 113 I CB 2.059 40.044 38.000 -0.025 0.000 1.314 113 I HN 0.722 nan 8.210 nan 0.000 0.445 114 G N 6.770 115.575 108.800 0.009 0.000 2.728 114 G HA2 0.662 4.623 3.960 0.001 0.000 0.296 114 G HA3 0.662 4.623 3.960 0.001 0.000 0.296 114 G C -0.714 174.206 174.900 0.033 0.000 1.401 114 G CA -0.302 44.801 45.100 0.005 0.000 1.007 114 G HN 0.445 nan 8.290 nan 0.000 0.527 115 I N 2.454 123.034 120.570 0.017 0.000 2.342 115 I HA 0.407 4.577 4.170 0.001 0.000 0.291 115 I C -0.651 175.488 176.117 0.036 0.000 1.010 115 I CA -0.322 61.003 61.300 0.043 0.000 1.308 115 I CB 1.671 39.705 38.000 0.056 0.000 1.400 115 I HN 0.240 nan 8.210 nan 0.000 0.488 116 D N 3.978 124.399 120.400 0.035 0.000 2.803 116 D HA 0.176 4.816 4.640 0.001 0.000 0.218 116 D C 0.566 176.879 176.300 0.022 0.000 1.245 116 D CA -0.682 53.337 54.000 0.032 0.000 0.821 116 D CB 1.665 42.490 40.800 0.041 0.000 1.626 116 D HN 0.544 nan 8.370 nan 0.000 0.487 117 R N 1.206 121.719 120.500 0.021 0.000 2.127 117 R HA -0.058 4.282 4.340 0.001 0.000 0.238 117 R C 0.211 176.521 176.300 0.016 0.000 1.134 117 R CA 1.120 57.228 56.100 0.014 0.000 0.975 117 R CB -0.004 30.307 30.300 0.018 0.000 0.865 117 R HN 0.109 nan 8.270 nan 0.000 0.447 118 D N 0.095 120.512 120.400 0.027 0.000 2.408 118 D HA 0.183 4.823 4.640 0.001 0.000 0.261 118 D C -0.115 176.202 176.300 0.028 0.000 1.190 118 D CA -0.504 53.513 54.000 0.028 0.000 0.910 118 D CB 0.995 41.820 40.800 0.041 0.000 1.097 118 D HN 0.182 nan 8.370 nan 0.000 0.522 119 L N 2.216 123.447 121.223 0.013 0.000 2.645 119 L HA 0.096 4.436 4.340 0.001 0.000 0.234 119 L C 2.006 178.873 176.870 -0.006 0.000 1.165 119 L CA 0.009 54.852 54.840 0.005 0.000 0.944 119 L CB -0.293 41.765 42.059 -0.002 0.000 1.149 119 L HN 0.278 nan 8.230 nan 0.000 0.446 120 S N -0.130 115.569 115.700 -0.001 0.000 2.377 120 S HA -0.128 4.343 4.470 0.001 0.000 0.223 120 S C 2.010 176.596 174.600 -0.023 0.000 1.030 120 S CA 0.275 58.472 58.200 -0.006 0.000 0.970 120 S CB -0.089 63.114 63.200 0.006 0.000 0.830 120 S HN 0.330 nan 8.310 nan 0.000 0.473 121 R N 0.516 120.995 120.500 -0.035 0.000 2.285 121 R HA 0.204 4.544 4.340 0.001 0.000 0.213 121 R C 0.975 177.181 176.300 -0.157 0.000 1.068 121 R CA 0.316 56.353 56.100 -0.105 0.000 1.004 121 R CB -1.257 28.948 30.300 -0.158 0.000 0.873 121 R HN 0.523 nan 8.270 nan 0.000 0.467 122 C N 1.442 120.684 119.300 -0.097 0.000 2.596 122 C HA -0.013 4.447 4.460 0.001 0.000 0.414 122 C C 1.050 176.000 174.990 -0.067 0.000 1.396 122 C CA 0.077 59.047 59.018 -0.080 0.000 1.698 122 C CB -0.011 27.708 27.740 -0.035 0.000 2.572 122 C HN 0.501 nan 8.230 nan 0.000 0.604 123 Q N 4.159 123.919 119.800 -0.066 0.000 2.171 123 Q HA 0.288 4.629 4.340 0.001 0.000 0.218 123 Q C 0.044 176.031 176.000 -0.023 0.000 0.822 123 Q CA 0.100 55.873 55.803 -0.050 0.000 0.987 123 Q CB 0.301 29.000 28.738 -0.064 0.000 1.144 123 Q HN 0.793 nan 8.270 nan 0.000 0.494 124 I N 3.638 124.202 120.570 -0.010 0.000 2.533 124 I HA 0.056 4.226 4.170 0.001 0.000 0.284 124 I C -1.842 174.276 176.117 0.001 0.000 1.109 124 I CA -1.469 59.836 61.300 0.007 0.000 1.412 124 I CB 0.213 38.227 38.000 0.022 0.000 1.396 124 I HN -0.158 nan 8.210 nan 0.000 0.543 125 P HA 0.036 nan 4.420 nan 0.000 0.268 125 P C 0.397 177.699 177.300 0.002 0.000 1.208 125 P CA -0.204 62.895 63.100 -0.001 0.000 0.777 125 P CB 0.770 32.468 31.700 -0.003 0.000 0.875 126 A N 1.752 124.572 122.820 -0.000 0.000 1.972 126 A HA -0.168 4.153 4.320 0.001 0.000 0.219 126 A C 2.145 179.731 177.584 0.003 0.000 1.169 126 A CA 2.040 54.078 52.037 0.000 0.000 0.635 126 A CB -1.529 17.469 19.000 -0.003 0.000 0.810 126 A HN 0.629 nan 8.150 nan 0.000 0.446 127 S N -0.388 115.314 115.700 0.003 0.000 2.383 127 S HA -0.155 4.315 4.470 0.001 0.000 0.227 127 S C 1.229 175.834 174.600 0.009 0.000 1.026 127 S CA 1.466 59.669 58.200 0.004 0.000 0.981 127 S CB -0.505 62.696 63.200 0.002 0.000 0.818 127 S HN 0.489 nan 8.310 nan 0.000 0.472 128 D N 0.021 120.429 120.400 0.013 0.000 2.352 128 D HA 0.238 4.878 4.640 0.001 0.000 0.236 128 D C 0.919 177.237 176.300 0.030 0.000 1.148 128 D CA 0.172 54.185 54.000 0.022 0.000 0.844 128 D CB -0.122 40.693 40.800 0.025 0.000 0.933 128 D HN 0.256 nan 8.370 nan 0.000 0.507 129 M N 0.342 119.955 119.600 0.022 0.000 2.505 129 M HA 0.104 4.584 4.480 0.001 0.000 0.230 129 M C 0.280 176.594 176.300 0.023 0.000 1.153 129 M CA 0.079 55.393 55.300 0.024 0.000 0.997 129 M CB -0.412 32.197 32.600 0.016 0.000 1.606 129 M HN 0.092 nan 8.290 nan 0.000 0.481 130 E N 2.101 122.314 120.200 0.023 0.000 2.558 130 E HA -0.112 4.238 4.350 0.001 0.000 0.255 130 E C 0.216 176.829 176.600 0.022 0.000 0.968 130 E CA 0.496 56.908 56.400 0.020 0.000 0.939 130 E CB 0.140 29.852 29.700 0.020 0.000 0.921 130 E HN 0.325 nan 8.360 nan 0.000 0.477 131 N N 3.116 121.826 118.700 0.018 0.000 2.776 131 N HA -0.201 4.540 4.740 0.001 0.000 0.250 131 N C -1.008 174.512 175.510 0.016 0.000 1.112 131 N CA 0.977 54.035 53.050 0.014 0.000 0.733 131 N CB -0.784 37.709 38.487 0.009 0.000 1.097 131 N HN 0.512 nan 8.380 nan 0.000 0.558 132 I N 1.527 122.110 120.570 0.022 0.000 2.623 132 I HA 0.085 4.256 4.170 0.001 0.000 0.275 132 I C 0.236 176.371 176.117 0.030 0.000 1.108 132 I CA -0.384 60.931 61.300 0.026 0.000 1.120 132 I CB 1.225 39.246 38.000 0.034 0.000 1.249 132 I HN -0.085 nan 8.210 nan 0.000 0.500 133 T N 3.278 117.855 114.554 0.039 0.000 2.832 133 T HA 0.623 4.974 4.350 0.001 0.000 0.296 133 T C -0.250 174.501 174.700 0.085 0.000 0.968 133 T CA -0.544 61.594 62.100 0.064 0.000 1.107 133 T CB 1.762 70.688 68.868 0.096 0.000 0.916 133 T HN 0.071 nan 8.240 nan 0.000 0.517 134 L N 2.055 123.321 121.223 0.070 0.000 2.332 134 L HA 0.573 4.913 4.340 0.001 0.000 0.269 134 L C 0.257 177.179 176.870 0.086 0.000 1.016 134 L CA -0.592 54.291 54.840 0.071 0.000 0.809 134 L CB 1.246 43.316 42.059 0.018 0.000 1.280 134 L HN 0.734 nan 8.230 nan 0.000 0.447 135 H N 0.704 119.767 119.070 -0.013 0.000 3.026 135 H HA 0.238 4.795 4.556 0.001 0.000 0.352 135 H C -1.312 173.998 175.328 -0.031 0.000 1.090 135 H CA -0.613 55.422 56.048 -0.021 0.000 1.268 135 H CB 2.390 32.141 29.762 -0.019 0.000 1.816 135 H HN 0.554 nan 8.280 nan 0.000 0.518 136 Q N 1.367 121.172 119.800 0.008 0.000 2.260 136 Q HA 0.560 4.901 4.340 0.001 0.000 0.242 136 Q C -0.341 175.665 176.000 0.009 0.000 0.932 136 Q CA -0.183 55.621 55.803 0.002 0.000 0.891 136 Q CB 1.393 30.114 28.738 -0.028 0.000 1.222 136 Q HN 0.921 nan 8.270 nan 0.000 0.453 137 G N 1.929 110.718 108.800 -0.020 0.000 2.358 137 G HA2 0.158 4.118 3.960 0.001 0.000 0.301 137 G HA3 0.158 4.118 3.960 0.001 0.000 0.301 137 G C -2.043 172.813 174.900 -0.073 0.000 1.539 137 G CA -0.839 44.223 45.100 -0.063 0.000 0.893 137 G HN 0.584 nan 8.290 nan 0.000 0.636 138 D N -0.679 119.667 120.400 -0.089 0.000 2.163 138 D HA 0.473 5.113 4.640 0.001 0.000 0.248 138 D C 0.993 177.253 176.300 -0.066 0.000 1.035 138 D CA -0.537 53.433 54.000 -0.050 0.000 0.872 138 D CB 1.530 42.316 40.800 -0.024 0.000 1.183 138 D HN 0.399 nan 8.370 nan 0.000 0.445 139 C N 2.136 121.454 119.300 0.031 0.000 2.313 139 C HA 0.195 4.656 4.460 0.001 0.000 0.369 139 C C 1.728 176.797 174.990 0.133 0.000 1.303 139 C CA -0.162 58.937 59.018 0.135 0.000 1.666 139 C CB -1.726 26.133 27.740 0.198 0.000 1.793 139 C HN 0.420 nan 8.230 nan 0.000 0.590 140 S N -0.452 115.287 115.700 0.065 0.000 2.554 140 S HA 0.060 4.530 4.470 0.001 0.000 0.227 140 S C -0.057 174.564 174.600 0.035 0.000 1.050 140 S CA -0.003 58.236 58.200 0.065 0.000 0.927 140 S CB 0.252 63.481 63.200 0.048 0.000 0.859 140 S HN 0.598 nan 8.310 nan 0.000 0.494 141 D N 1.350 121.738 120.400 -0.020 0.000 2.264 141 D HA 0.271 4.912 4.640 0.001 0.000 0.250 141 D C 0.729 176.974 176.300 -0.092 0.000 1.113 141 D CA 0.012 53.973 54.000 -0.065 0.000 0.871 141 D CB 0.965 41.700 40.800 -0.109 0.000 1.167 141 D HN 0.073 nan 8.370 nan 0.000 0.447 142 L N 1.805 122.990 121.223 -0.064 0.000 2.554 142 L HA -0.015 4.326 4.340 0.001 0.000 0.226 142 L C 1.802 178.492 176.870 -0.300 0.000 1.137 142 L CA 0.567 55.320 54.840 -0.145 0.000 0.863 142 L CB -0.428 41.570 42.059 -0.103 0.000 0.985 142 L HN 0.484 nan 8.230 nan 0.000 0.451 143 T N -4.567 109.846 114.554 -0.235 0.000 3.085 143 T HA -0.069 4.282 4.350 0.001 0.000 0.263 143 T C 1.768 176.267 174.700 -0.335 0.000 1.127 143 T CA 0.803 62.718 62.100 -0.308 0.000 1.103 143 T CB -0.220 68.513 68.868 -0.226 0.000 0.921 143 T HN 0.137 nan 8.240 nan 0.000 0.510 144 T N 1.638 115.964 114.554 -0.380 0.000 2.867 144 T HA 0.090 4.441 4.350 0.001 0.000 0.268 144 T C 1.177 175.556 174.700 -0.534 0.000 1.057 144 T CA 0.999 62.825 62.100 -0.456 0.000 1.136 144 T CB -0.417 68.002 68.868 -0.747 0.000 0.874 144 T HN 0.514 nan 8.240 nan 0.000 0.466 145 F N 0.897 120.631 119.950 -0.361 0.000 2.317 145 F HA 0.212 4.739 4.527 0.001 0.000 0.293 145 F C 2.385 178.077 175.800 -0.179 0.000 1.085 145 F CA 0.160 57.884 58.000 -0.460 0.000 1.390 145 F CB -0.180 38.080 39.000 -1.234 0.000 1.077 145 F HN 0.082 nan 8.300 nan 0.000 0.517 146 E N 0.062 120.271 120.200 0.014 0.000 2.012 146 E HA -0.259 4.092 4.350 0.001 0.000 0.197 146 E C 1.790 178.465 176.600 0.124 0.000 1.007 146 E CA 1.926 58.444 56.400 0.196 0.000 0.816 146 E CB -0.468 29.251 29.700 0.031 0.000 0.762 146 E HN 0.490 nan 8.360 nan 0.000 0.451 147 H N -0.503 118.591 119.070 0.040 0.000 2.444 147 H HA -0.164 4.393 4.556 0.001 0.000 0.294 147 H C 0.038 175.370 175.328 0.007 0.000 1.125 147 H CA -0.052 56.010 56.048 0.024 0.000 1.230 147 H CB -0.088 29.672 29.762 -0.002 0.000 1.361 147 H HN 0.002 nan 8.280 nan 0.000 0.508 148 L N 2.797 124.054 121.223 0.056 0.000 2.565 148 L HA -0.029 4.311 4.340 0.001 0.000 0.275 148 L C 0.525 177.441 176.870 0.078 0.000 1.137 148 L CA 0.712 55.516 54.840 -0.060 0.000 0.915 148 L CB 0.080 42.079 42.059 -0.100 0.000 1.232 148 L HN 0.160 nan 8.230 nan 0.000 0.473 149 R N 1.685 122.233 120.500 0.080 0.000 2.767 149 R HA -0.077 4.264 4.340 0.001 0.000 0.264 149 R C 0.174 176.536 176.300 0.103 0.000 0.987 149 R CA -0.333 55.828 56.100 0.101 0.000 1.114 149 R CB 0.254 30.607 30.300 0.089 0.000 0.976 149 R HN 0.363 nan 8.270 nan 0.000 0.437 150 E N 1.794 122.059 120.200 0.109 0.000 2.265 150 E HA 0.035 4.385 4.350 0.001 0.000 0.272 150 E C -0.547 176.105 176.600 0.088 0.000 1.067 150 E CA 0.249 56.721 56.400 0.119 0.000 0.900 150 E CB 0.453 30.229 29.700 0.127 0.000 1.017 150 E HN 0.209 nan 8.360 nan 0.000 0.431 151 M N 2.096 121.728 119.600 0.054 0.000 2.471 151 M HA 0.554 5.034 4.480 0.001 0.000 0.309 151 M C 0.351 176.619 176.300 -0.053 0.000 1.186 151 M CA -0.793 54.500 55.300 -0.013 0.000 1.008 151 M CB 1.322 33.887 32.600 -0.058 0.000 1.551 151 M HN 0.412 nan 8.290 nan 0.000 0.477 152 A N 0.196 122.992 122.820 -0.041 0.000 2.313 152 A HA 0.483 4.803 4.320 0.001 0.000 0.261 152 A C -0.502 177.005 177.584 -0.127 0.000 1.090 152 A CA -0.382 51.674 52.037 0.032 0.000 0.807 152 A CB 0.134 19.156 19.000 0.037 0.000 1.055 152 A HN 0.839 nan 8.150 nan 0.000 0.492 153 H N -0.501 118.580 119.070 0.018 0.000 2.797 153 H HA 0.394 4.951 4.556 0.001 0.000 0.362 153 H C -2.421 172.914 175.328 0.012 0.000 1.183 153 H CA -1.831 54.229 56.048 0.021 0.000 1.197 153 H CB 0.790 30.565 29.762 0.021 0.000 1.835 153 H HN 0.434 nan 8.280 nan 0.000 0.567 154 P HA 0.046 nan 4.420 nan 0.000 0.267 154 P C -0.687 176.656 177.300 0.072 0.000 1.200 154 P CA -0.021 63.169 63.100 0.150 0.000 0.772 154 P CB 0.618 32.388 31.700 0.116 0.000 0.855 155 L N 2.390 123.664 121.223 0.086 0.000 2.370 155 L HA 0.654 4.994 4.340 0.001 0.000 0.266 155 L C -1.254 175.689 176.870 0.121 0.000 1.002 155 L CA -0.799 54.051 54.840 0.016 0.000 0.818 155 L CB 1.445 43.447 42.059 -0.094 0.000 1.325 155 L HN 0.185 nan 8.230 nan 0.000 0.418 156 I N 3.516 124.121 120.570 0.058 0.000 2.441 156 I HA 0.384 4.554 4.170 0.001 0.000 0.295 156 I C -1.288 174.868 176.117 0.064 0.000 0.994 156 I CA -0.327 61.034 61.300 0.102 0.000 1.144 156 I CB 1.965 39.946 38.000 -0.031 0.000 1.314 156 I HN 0.531 nan 8.210 nan 0.000 0.445 157 F N 7.324 127.242 119.950 -0.052 0.000 2.500 157 F HA 0.590 5.117 4.527 0.001 0.000 0.349 157 F C -0.758 174.862 175.800 -0.300 0.000 1.127 157 F CA -0.527 57.365 58.000 -0.180 0.000 0.998 157 F CB 0.763 39.649 39.000 -0.189 0.000 1.237 157 F HN 0.186 nan 8.300 nan 0.000 0.439 158 I N 4.564 124.932 120.570 -0.336 0.000 2.336 158 I HA 0.222 4.393 4.170 0.001 0.000 0.292 158 I C -0.742 175.233 176.117 -0.238 0.000 0.991 158 I CA -0.582 60.616 61.300 -0.170 0.000 1.227 158 I CB 1.420 39.373 38.000 -0.079 0.000 1.366 158 I HN 0.478 nan 8.210 nan 0.000 0.466 159 D N 4.937 125.309 120.400 -0.047 0.000 2.373 159 D HA 0.203 4.843 4.640 0.001 0.000 0.227 159 D C -0.239 176.153 176.300 0.152 0.000 1.091 159 D CA -0.223 53.824 54.000 0.078 0.000 0.840 159 D CB 0.894 41.835 40.800 0.234 0.000 1.060 159 D HN 0.370 nan 8.370 nan 0.000 0.502 160 D N 2.875 123.263 120.400 -0.020 0.000 2.462 160 D HA 0.222 4.863 4.640 0.001 0.000 0.221 160 D C 0.832 176.763 176.300 -0.615 0.000 1.173 160 D CA 0.025 53.931 54.000 -0.157 0.000 0.831 160 D CB 1.214 41.992 40.800 -0.038 0.000 1.001 160 D HN 0.454 nan 8.370 nan 0.000 0.499 161 A N -0.111 122.375 122.820 -0.556 0.000 1.984 161 A HA 0.057 4.378 4.320 0.001 0.000 0.203 161 A C 0.525 177.929 177.584 -0.300 0.000 1.292 161 A CA 0.391 52.207 52.037 -0.368 0.000 0.782 161 A CB -0.029 18.945 19.000 -0.043 0.000 0.924 161 A HN 0.236 nan 8.150 nan 0.000 0.475 162 H N -1.824 117.385 119.070 0.233 0.000 3.049 162 H HA -0.147 4.409 4.556 0.001 0.000 0.250 162 H C 0.215 175.798 175.328 0.424 0.000 1.219 162 H CA 0.430 56.688 56.048 0.350 0.000 1.117 162 H CB -2.354 27.551 29.762 0.238 0.000 1.251 162 H HN 0.910 nan 8.280 nan 0.000 0.338 163 A N 0.596 123.643 122.820 0.377 0.000 2.318 163 A HA 0.572 4.893 4.320 0.001 0.000 0.324 163 A C 1.016 178.768 177.584 0.280 0.000 1.170 163 A CA 0.176 52.395 52.037 0.303 0.000 0.810 163 A CB 0.988 20.115 19.000 0.212 0.000 1.198 163 A HN 0.346 nan 8.150 nan 0.000 0.484 164 N N 1.321 120.170 118.700 0.247 0.000 2.735 164 N HA -0.168 4.572 4.740 0.001 0.000 0.248 164 N C 0.869 176.526 175.510 0.245 0.000 1.083 164 N CA 1.571 54.752 53.050 0.219 0.000 0.703 164 N CB -1.284 37.316 38.487 0.190 0.000 1.005 164 N HN 0.696 nan 8.380 nan 0.000 0.550 165 T N -1.257 113.466 114.554 0.281 0.000 2.737 165 T HA -0.047 4.304 4.350 0.001 0.000 0.265 165 T C 1.422 176.177 174.700 0.092 0.000 1.038 165 T CA 1.544 63.798 62.100 0.256 0.000 1.144 165 T CB -0.377 68.712 68.868 0.368 0.000 0.866 165 T HN 0.351 nan 8.240 nan 0.000 0.434 166 F N 2.071 122.089 119.950 0.114 0.000 2.216 166 F HA -0.060 4.467 4.527 0.001 0.000 0.300 166 F C 2.450 178.290 175.800 0.067 0.000 1.085 166 F CA 0.645 58.671 58.000 0.043 0.000 1.326 166 F CB -0.487 38.535 39.000 0.038 0.000 1.027 166 F HN 0.093 nan 8.300 nan 0.000 0.497 167 N N 0.370 119.211 118.700 0.235 0.000 2.188 167 N HA -0.103 4.638 4.740 0.001 0.000 0.184 167 N C 1.965 177.575 175.510 0.167 0.000 1.018 167 N CA 1.078 54.235 53.050 0.177 0.000 0.858 167 N CB -0.343 38.233 38.487 0.149 0.000 0.989 167 N HN 0.272 nan 8.380 nan 0.000 0.426 168 I N 0.287 120.937 120.570 0.132 0.000 2.546 168 I HA -0.153 4.018 4.170 0.001 0.000 0.255 168 I C 2.249 178.342 176.117 -0.039 0.000 1.163 168 I CA 0.582 61.916 61.300 0.057 0.000 1.457 168 I CB -0.034 38.002 38.000 0.059 0.000 1.092 168 I HN 0.119 nan 8.210 nan 0.000 0.434 169 M N 0.881 120.358 119.600 -0.206 0.000 2.236 169 M HA -0.189 4.291 4.480 0.001 0.000 0.266 169 M C 2.387 178.571 176.300 -0.194 0.000 1.070 169 M CA 1.563 56.435 55.300 -0.713 0.000 1.137 169 M CB -0.062 31.893 32.600 -1.075 0.000 1.378 169 M HN 0.083 nan 8.290 nan 0.000 0.426 170 K N -0.809 119.683 120.400 0.154 0.000 2.057 170 K HA -0.245 4.075 4.320 0.001 0.000 0.206 170 K C 1.884 178.551 176.600 0.111 0.000 1.050 170 K CA 1.724 58.128 56.287 0.195 0.000 0.935 170 K CB -0.800 31.785 32.500 0.141 0.000 0.715 170 K HN 0.538 nan 8.250 nan 0.000 0.439 171 W N 1.609 122.912 121.300 0.004 0.000 2.358 171 W HA -0.117 4.544 4.660 0.001 0.000 0.303 171 W C 2.122 178.656 176.519 0.026 0.000 1.208 171 W CA 2.433 59.823 57.345 0.074 0.000 1.274 171 W CB -0.267 29.214 29.460 0.036 0.000 1.138 171 W HN 0.227 nan 8.180 nan 0.000 0.515 172 A N -0.297 122.509 122.820 -0.024 0.000 1.930 172 A HA -0.121 4.199 4.320 0.001 0.000 0.217 172 A C 2.015 179.398 177.584 -0.335 0.000 1.175 172 A CA 1.906 53.768 52.037 -0.292 0.000 0.627 172 A CB -1.172 17.761 19.000 -0.112 0.000 0.815 172 A HN 0.189 nan 8.150 nan 0.000 0.443 173 V N 0.624 120.394 119.914 -0.239 0.000 2.295 173 V HA -0.244 3.877 4.120 0.001 0.000 0.246 173 V C 2.155 178.087 176.094 -0.269 0.000 1.049 173 V CA 2.479 64.668 62.300 -0.185 0.000 1.024 173 V CB -0.644 31.135 31.823 -0.074 0.000 0.648 173 V HN 0.529 nan 8.190 nan 0.000 0.447 174 D N -1.420 118.756 120.400 -0.372 0.000 2.120 174 D HA -0.067 4.574 4.640 0.001 0.000 0.202 174 D C 1.877 177.750 176.300 -0.712 0.000 0.972 174 D CA 1.229 54.898 54.000 -0.552 0.000 0.837 174 D CB -0.228 40.159 40.800 -0.688 0.000 0.989 174 D HN 0.512 nan 8.370 nan 0.000 0.469 175 H N -0.998 117.728 119.070 -0.574 0.000 2.594 175 H HA 0.267 4.824 4.556 0.001 0.000 0.279 175 H C 1.127 176.122 175.328 -0.556 0.000 1.042 175 H CA 0.115 55.807 56.048 -0.593 0.000 1.177 175 H CB 1.605 30.895 29.762 -0.787 0.000 1.524 175 H HN 0.066 nan 8.280 nan 0.000 0.537 176 L N -0.636 120.335 121.223 -0.420 0.000 2.627 176 L HA 0.240 4.581 4.340 0.001 0.000 0.253 176 L C -0.476 176.393 176.870 -0.001 0.000 1.042 176 L CA 0.422 55.145 54.840 -0.194 0.000 1.110 176 L CB 0.471 42.353 42.059 -0.295 0.000 2.151 176 L HN -0.095 nan 8.230 nan 0.000 0.539 177 L N 2.051 123.230 121.223 -0.074 0.000 2.290 177 L HA 0.323 4.663 4.340 0.001 0.000 0.284 177 L C -0.061 176.786 176.870 -0.039 0.000 1.078 177 L CA -0.033 54.816 54.840 0.014 0.000 0.815 177 L CB 1.087 43.144 42.059 -0.003 0.000 1.162 177 L HN 0.227 nan 8.230 nan 0.000 0.435 178 E N 1.580 121.769 120.200 -0.017 0.000 2.267 178 E HA 0.179 4.529 4.350 0.001 0.000 0.258 178 E C -0.580 175.992 176.600 -0.048 0.000 1.074 178 E CA -0.856 55.491 56.400 -0.088 0.000 0.915 178 E CB 1.228 30.816 29.700 -0.186 0.000 1.186 178 E HN 0.480 nan 8.360 nan 0.000 0.439 179 E N -0.150 120.012 120.200 -0.064 0.000 2.558 179 E HA 0.010 4.361 4.350 0.001 0.000 0.255 179 E C 0.585 177.159 176.600 -0.042 0.000 0.968 179 E CA 1.126 57.493 56.400 -0.056 0.000 0.939 179 E CB -0.106 29.561 29.700 -0.055 0.000 0.921 179 E HN 0.683 nan 8.360 nan 0.000 0.477 180 G N 3.841 112.599 108.800 -0.071 0.000 2.241 180 G HA2 -0.266 3.695 3.960 0.001 0.000 0.244 180 G HA3 -0.266 3.695 3.960 0.001 0.000 0.244 180 G C -0.055 174.796 174.900 -0.081 0.000 0.998 180 G CA 0.092 45.141 45.100 -0.085 0.000 0.621 180 G HN 0.671 nan 8.290 nan 0.000 0.519 181 D N -0.026 120.377 120.400 0.006 0.000 2.390 181 D HA 0.431 5.071 4.640 0.001 0.000 0.236 181 D C 0.185 176.490 176.300 0.008 0.000 1.189 181 D CA 0.486 54.548 54.000 0.103 0.000 0.887 181 D CB 0.213 41.111 40.800 0.163 0.000 1.198 181 D HN 0.279 nan 8.370 nan 0.000 0.444 182 Y N 0.186 120.570 120.300 0.139 0.000 2.387 182 Y HA 0.411 4.962 4.550 0.001 0.000 0.336 182 Y C -0.374 175.661 175.900 0.225 0.000 1.067 182 Y CA -0.810 57.387 58.100 0.161 0.000 1.114 182 Y CB 1.268 39.809 38.460 0.134 0.000 1.208 182 Y HN 0.205 nan 8.280 nan 0.000 0.458 183 F N 5.014 125.091 119.950 0.212 0.000 2.496 183 F HA 0.608 5.136 4.527 0.001 0.000 0.341 183 F C -1.216 174.704 175.800 0.199 0.000 1.134 183 F CA -0.746 57.360 58.000 0.176 0.000 0.968 183 F CB 0.455 39.449 39.000 -0.009 0.000 1.205 183 F HN 0.277 nan 8.300 nan 0.000 0.436 184 I N 7.318 127.945 120.570 0.095 0.000 2.406 184 I HA 0.394 4.565 4.170 0.001 0.000 0.290 184 I C -0.769 175.412 176.117 0.107 0.000 0.999 184 I CA -0.736 60.663 61.300 0.166 0.000 1.124 184 I CB 2.013 40.124 38.000 0.185 0.000 1.289 184 I HN 0.421 nan 8.210 nan 0.000 0.441 185 I N 6.176 126.851 120.570 0.175 0.000 2.328 185 I HA 0.245 4.416 4.170 0.001 0.000 0.287 185 I C 0.017 176.185 176.117 0.085 0.000 1.012 185 I CA -0.382 61.015 61.300 0.162 0.000 1.195 185 I CB 0.997 39.124 38.000 0.212 0.000 1.350 185 I HN 0.516 nan 8.210 nan 0.000 0.464 186 E N 6.113 126.371 120.200 0.097 0.000 2.283 186 E HA 0.160 4.510 4.350 0.001 0.000 0.278 186 E C -0.264 176.264 176.600 -0.120 0.000 1.027 186 E CA -0.303 56.131 56.400 0.057 0.000 0.843 186 E CB 0.991 30.784 29.700 0.155 0.000 1.062 186 E HN 0.597 nan 8.360 nan 0.000 0.401 187 D N 0.953 121.298 120.400 -0.092 0.000 2.328 187 D HA -0.229 4.411 4.640 0.001 0.000 0.167 187 D C 0.985 177.186 176.300 -0.165 0.000 1.205 187 D CA 1.567 55.510 54.000 -0.095 0.000 1.128 187 D CB -0.472 40.281 40.800 -0.079 0.000 1.157 187 D HN 0.394 nan 8.370 nan 0.000 0.468 188 M N 0.118 119.463 119.600 -0.425 0.000 2.567 188 M HA 0.321 4.802 4.480 0.001 0.000 0.261 188 M C 2.053 177.947 176.300 -0.678 0.000 1.180 188 M CA 0.563 55.403 55.300 -0.766 0.000 1.143 188 M CB 0.226 31.962 32.600 -1.441 0.000 1.319 188 M HN 0.091 nan 8.290 nan 0.000 0.490 189 I N 0.622 120.979 120.570 -0.356 0.000 2.179 189 I HA -0.210 3.960 4.170 0.001 0.000 0.242 189 I C -0.802 175.130 176.117 -0.308 0.000 1.088 189 I CA 1.400 62.574 61.300 -0.210 0.000 1.357 189 I CB -1.313 36.714 38.000 0.046 0.000 1.051 189 I HN 0.181 nan 8.210 nan 0.000 0.409 190 P HA -0.184 nan 4.420 nan 0.000 0.218 190 P C 1.175 178.237 177.300 -0.395 0.000 1.148 190 P CA 1.628 64.548 63.100 -0.299 0.000 0.822 190 P CB -0.108 31.372 31.700 -0.367 0.000 0.784 191 Y N -2.800 117.314 120.300 -0.311 0.000 2.286 191 Y HA -0.102 4.449 4.550 0.001 0.000 0.293 191 Y C 2.208 177.971 175.900 -0.228 0.000 1.124 191 Y CA 0.622 58.496 58.100 -0.377 0.000 1.178 191 Y CB -0.765 37.544 38.460 -0.251 0.000 1.010 191 Y HN -0.029 nan 8.280 nan 0.000 0.536 192 W N -1.513 119.757 121.300 -0.050 0.000 2.467 192 W HA -0.162 4.499 4.660 0.001 0.000 0.275 192 W C 2.095 178.498 176.519 -0.194 0.000 1.239 192 W CA 0.548 57.868 57.345 -0.042 0.000 1.266 192 W CB -1.209 28.256 29.460 0.008 0.000 1.112 192 W HN 0.189 nan 8.180 nan 0.000 0.576 193 Y N 1.023 121.130 120.300 -0.322 0.000 2.420 193 Y HA 0.003 4.553 4.550 0.001 0.000 0.292 193 Y C 2.638 178.458 175.900 -0.133 0.000 1.119 193 Y CA 1.622 59.567 58.100 -0.257 0.000 1.229 193 Y CB -0.475 37.781 38.460 -0.340 0.000 1.026 193 Y HN -0.122 nan 8.280 nan 0.000 0.554 194 R N -1.045 119.247 120.500 -0.347 0.000 2.073 194 R HA -0.136 4.204 4.340 0.001 0.000 0.229 194 R C 1.558 177.704 176.300 -0.257 0.000 1.120 194 R CA 1.825 57.672 56.100 -0.421 0.000 0.967 194 R CB -0.592 29.393 30.300 -0.525 0.000 0.862 194 R HN 0.476 nan 8.270 nan 0.000 0.436 195 Y N -1.129 119.169 120.300 -0.003 0.000 2.420 195 Y HA 0.222 4.772 4.550 0.001 0.000 0.292 195 Y C 0.806 176.709 175.900 0.005 0.000 1.119 195 Y CA -0.050 58.070 58.100 0.033 0.000 1.229 195 Y CB 0.580 39.112 38.460 0.120 0.000 1.026 195 Y HN 0.153 nan 8.280 nan 0.000 0.554 196 A N 0.114 123.010 122.820 0.125 0.000 3.409 196 A HA 0.299 4.620 4.320 0.001 0.000 0.282 196 A C -2.188 175.427 177.584 0.052 0.000 1.064 196 A CA -0.960 51.117 52.037 0.067 0.000 0.889 196 A CB 0.055 19.096 19.000 0.069 0.000 1.251 196 A HN -0.066 nan 8.150 nan 0.000 0.538 197 P HA -0.236 nan 4.420 nan 0.000 0.216 197 P C 1.470 178.855 177.300 0.142 0.000 1.153 197 P CA 1.240 64.301 63.100 -0.065 0.000 0.848 197 P CB 0.322 31.833 31.700 -0.315 0.000 0.787 198 Q N -0.325 119.505 119.800 0.049 0.000 2.016 198 Q HA -0.099 4.241 4.340 0.001 0.000 0.200 198 Q C 2.405 178.400 176.000 -0.008 0.000 0.978 198 Q CA 1.228 57.053 55.803 0.037 0.000 0.833 198 Q CB -0.536 28.202 28.738 -0.000 0.000 0.895 198 Q HN 0.158 nan 8.270 nan 0.000 0.427 199 L N -0.132 121.032 121.223 -0.099 0.000 2.093 199 L HA -0.130 4.210 4.340 0.001 0.000 0.208 199 L C 2.316 178.921 176.870 -0.441 0.000 1.085 199 L CA 0.773 55.401 54.840 -0.355 0.000 0.755 199 L CB -0.292 41.464 42.059 -0.505 0.000 0.904 199 L HN 0.338 nan 8.230 nan 0.000 0.435 200 F N -0.030 119.775 119.950 -0.243 0.000 2.146 200 F HA -0.208 4.320 4.527 0.001 0.000 0.298 200 F C 2.664 178.507 175.800 0.072 0.000 1.096 200 F CA 1.575 59.538 58.000 -0.061 0.000 1.275 200 F CB -0.164 38.957 39.000 0.202 0.000 1.008 200 F HN -0.105 nan 8.300 nan 0.000 0.480 201 S N -0.102 115.714 115.700 0.193 0.000 2.383 201 S HA -0.283 4.187 4.470 0.001 0.000 0.229 201 S C 2.025 176.624 174.600 -0.002 0.000 1.030 201 S CA 1.639 59.904 58.200 0.109 0.000 1.002 201 S CB -0.493 62.822 63.200 0.190 0.000 0.829 201 S HN 0.675 nan 8.310 nan 0.000 0.467 202 E N -0.589 119.606 120.200 -0.008 0.000 2.112 202 E HA -0.103 4.247 4.350 0.001 0.000 0.190 202 E C 1.642 178.301 176.600 0.099 0.000 0.979 202 E CA 0.751 57.173 56.400 0.037 0.000 0.814 202 E CB -0.239 29.490 29.700 0.048 0.000 0.762 202 E HN 0.720 nan 8.360 nan 0.000 0.460 203 Y N 0.486 120.638 120.300 -0.247 0.000 2.153 203 Y HA -0.113 4.438 4.550 0.001 0.000 0.289 203 Y C 2.496 178.341 175.900 -0.092 0.000 1.127 203 Y CA 0.360 58.251 58.100 -0.347 0.000 1.131 203 Y CB 0.122 38.030 38.460 -0.920 0.000 0.995 203 Y HN 0.085 nan 8.280 nan 0.000 0.505 204 L N -0.473 120.736 121.223 -0.023 0.000 2.131 204 L HA -0.198 4.143 4.340 0.001 0.000 0.210 204 L C 2.505 179.473 176.870 0.164 0.000 1.092 204 L CA 1.419 56.312 54.840 0.088 0.000 0.759 204 L CB -0.934 40.956 42.059 -0.281 0.000 0.903 204 L HN 0.353 nan 8.230 nan 0.000 0.435 205 G N -0.761 108.079 108.800 0.068 0.000 2.422 205 G HA2 -0.278 3.682 3.960 0.001 0.000 0.218 205 G HA3 -0.278 3.682 3.960 0.001 0.000 0.218 205 G C 1.680 176.613 174.900 0.055 0.000 1.146 205 G CA 0.709 45.842 45.100 0.055 0.000 0.769 205 G HN 0.509 nan 8.290 nan 0.000 0.547 206 A N 0.177 123.021 122.820 0.040 0.000 2.076 206 A HA 0.126 4.446 4.320 0.001 0.000 0.220 206 A C 1.655 179.098 177.584 -0.235 0.000 1.160 206 A CA 0.851 52.810 52.037 -0.131 0.000 0.653 206 A CB -0.441 18.404 19.000 -0.258 0.000 0.801 206 A HN 0.334 nan 8.150 nan 0.000 0.455 207 F N 0.103 120.028 119.950 -0.043 0.000 2.645 207 F HA 0.133 4.661 4.527 0.001 0.000 0.300 207 F C 2.117 177.888 175.800 -0.048 0.000 1.115 207 F CA 0.175 58.143 58.000 -0.053 0.000 1.355 207 F CB 0.006 38.975 39.000 -0.051 0.000 1.026 207 F HN 0.316 nan 8.300 nan 0.000 0.536 208 R N 0.090 120.635 120.500 0.076 0.000 2.096 208 R HA -0.135 4.205 4.340 0.001 0.000 0.235 208 R C 0.623 176.930 176.300 0.012 0.000 1.127 208 R CA 1.942 58.066 56.100 0.040 0.000 0.968 208 R CB -0.662 29.646 30.300 0.015 0.000 0.861 208 R HN 0.182 nan 8.270 nan 0.000 0.440 209 D N 1.058 121.448 120.400 -0.016 0.000 2.347 209 D HA -0.016 4.624 4.640 0.001 0.000 0.213 209 D C 1.554 177.836 176.300 -0.031 0.000 0.985 209 D CA 1.118 55.098 54.000 -0.033 0.000 0.879 209 D CB 0.729 41.495 40.800 -0.057 0.000 0.919 209 D HN 0.380 nan 8.370 nan 0.000 0.526 210 V N -2.839 117.070 119.914 -0.008 0.000 3.398 210 V HA 0.366 4.486 4.120 0.001 0.000 0.298 210 V C 0.232 176.337 176.094 0.018 0.000 1.496 210 V CA -0.305 61.990 62.300 -0.008 0.000 1.044 210 V CB 0.452 32.261 31.823 -0.023 0.000 0.880 210 V HN -0.114 nan 8.190 nan 0.000 0.443 211 L N 1.327 122.576 121.223 0.043 0.000 2.505 211 L HA 0.757 5.097 4.340 0.001 0.000 0.259 211 L C -0.393 176.490 176.870 0.022 0.000 0.952 211 L CA -0.048 54.807 54.840 0.026 0.000 0.840 211 L CB 2.635 44.714 42.059 0.034 0.000 1.358 211 L HN 0.333 nan 8.230 nan 0.000 0.409 212 S N 2.215 117.915 115.700 -0.000 0.000 2.715 212 S HA 0.776 5.247 4.470 0.001 0.000 0.307 212 S C -0.713 173.901 174.600 0.023 0.000 1.119 212 S CA -0.822 57.382 58.200 0.008 0.000 0.937 212 S CB 2.203 65.398 63.200 -0.008 0.000 1.150 212 S HN 0.636 nan 8.310 nan 0.000 0.521 213 M N 2.060 121.682 119.600 0.036 0.000 2.238 213 M HA 0.404 4.884 4.480 0.001 0.000 0.350 213 M C -1.323 175.012 176.300 0.059 0.000 1.138 213 M CA -0.320 55.017 55.300 0.062 0.000 1.040 213 M CB 1.176 33.813 32.600 0.062 0.000 1.639 213 M HN 0.769 nan 8.290 nan 0.000 0.451 214 D N 5.448 125.911 120.400 0.104 0.000 2.441 214 D HA 0.164 4.804 4.640 0.001 0.000 0.221 214 D C 0.604 176.939 176.300 0.058 0.000 1.156 214 D CA -0.169 53.891 54.000 0.100 0.000 0.896 214 D CB 0.775 41.727 40.800 0.254 0.000 1.028 214 D HN 0.683 nan 8.370 nan 0.000 0.509 215 M N 3.319 122.920 119.600 0.002 0.000 2.557 215 M HA -0.059 4.421 4.480 0.001 0.000 0.259 215 M C 1.675 177.939 176.300 -0.059 0.000 1.086 215 M CA 0.269 55.562 55.300 -0.012 0.000 1.096 215 M CB -0.477 32.114 32.600 -0.015 0.000 1.424 215 M HN 0.383 nan 8.290 nan 0.000 0.488 216 L N -0.861 120.266 121.223 -0.161 0.000 2.201 216 L HA -0.135 4.206 4.340 0.001 0.000 0.212 216 L C 1.430 178.128 176.870 -0.287 0.000 1.105 216 L CA 1.806 56.459 54.840 -0.312 0.000 0.775 216 L CB -0.270 41.447 42.059 -0.570 0.000 0.913 216 L HN 0.260 nan 8.230 nan 0.000 0.440 217 Y N -3.192 117.126 120.300 0.030 0.000 2.430 217 Y HA 0.329 4.880 4.550 0.001 0.000 0.254 217 Y C 2.147 178.040 175.900 -0.013 0.000 1.088 217 Y CA 0.083 58.181 58.100 -0.005 0.000 1.267 217 Y CB -0.045 38.398 38.460 -0.027 0.000 1.204 217 Y HN 0.081 nan 8.280 nan 0.000 0.515 218 A N 0.449 123.353 122.820 0.140 0.000 2.119 218 A HA -0.092 4.229 4.320 0.001 0.000 0.217 218 A C 1.190 178.805 177.584 0.052 0.000 1.153 218 A CA 1.335 53.428 52.037 0.093 0.000 0.692 218 A CB -0.282 18.767 19.000 0.081 0.000 0.799 218 A HN 0.308 nan 8.150 nan 0.000 0.458 219 N N -0.855 117.871 118.700 0.044 0.000 2.234 219 N HA 0.322 5.062 4.740 0.001 0.000 0.227 219 N C 0.744 176.267 175.510 0.022 0.000 1.151 219 N CA 0.728 53.791 53.050 0.022 0.000 0.865 219 N CB 0.703 39.197 38.487 0.012 0.000 1.066 219 N HN 0.384 nan 8.380 nan 0.000 0.515 220 A N -0.173 122.669 122.820 0.036 0.000 2.348 220 A HA 0.312 4.633 4.320 0.001 0.000 0.224 220 A C 0.761 178.345 177.584 0.001 0.000 1.227 220 A CA 0.140 52.197 52.037 0.033 0.000 0.885 220 A CB 0.255 19.304 19.000 0.081 0.000 0.933 220 A HN 0.171 nan 8.150 nan 0.000 0.506 221 S N -1.586 114.106 115.700 -0.013 0.000 2.567 221 S HA 0.366 4.837 4.470 0.001 0.000 0.270 221 S C 0.555 175.140 174.600 -0.024 0.000 1.152 221 S CA 0.452 58.635 58.200 -0.030 0.000 0.835 221 S CB 0.891 64.058 63.200 -0.055 0.000 1.115 221 S HN 0.760 nan 8.310 nan 0.000 0.459 222 S N 1.384 117.070 115.700 -0.022 0.000 2.470 222 S HA 0.004 4.474 4.470 0.001 0.000 0.225 222 S C 1.408 176.003 174.600 -0.009 0.000 1.006 222 S CA 0.576 58.766 58.200 -0.017 0.000 0.934 222 S CB -0.526 62.668 63.200 -0.010 0.000 0.778 222 S HN 0.738 nan 8.310 nan 0.000 0.517 223 Q N 0.703 120.500 119.800 -0.005 0.000 2.096 223 Q HA 0.234 4.574 4.340 0.001 0.000 0.197 223 Q C 1.854 177.859 176.000 0.008 0.000 0.964 223 Q CA 1.118 56.928 55.803 0.011 0.000 0.838 223 Q CB -0.243 28.506 28.738 0.019 0.000 0.906 223 Q HN 0.543 nan 8.270 nan 0.000 0.444 224 L N 0.879 122.097 121.223 -0.008 0.000 2.558 224 L HA 0.067 4.408 4.340 0.001 0.000 0.225 224 L C 0.368 177.238 176.870 0.001 0.000 1.128 224 L CA -0.342 54.492 54.840 -0.010 0.000 0.868 224 L CB -0.338 41.677 42.059 -0.074 0.000 1.006 224 L HN 0.164 nan 8.230 nan 0.000 0.454 225 D N 2.087 122.481 120.400 -0.010 0.000 2.661 225 D HA -0.137 4.503 4.640 0.001 0.000 0.244 225 D C 0.672 176.971 176.300 -0.002 0.000 1.196 225 D CA 0.641 54.634 54.000 -0.011 0.000 0.881 225 D CB 0.216 40.996 40.800 -0.034 0.000 1.141 225 D HN 0.124 nan 8.370 nan 0.000 0.530 226 R N 1.971 122.485 120.500 0.024 0.000 3.774 226 R HA -0.133 4.208 4.340 0.001 0.000 0.320 226 R C 0.631 176.987 176.300 0.093 0.000 1.175 226 R CA 0.802 56.929 56.100 0.045 0.000 0.849 226 R CB -1.815 28.494 30.300 0.014 0.000 1.365 226 R HN 0.566 nan 8.270 nan 0.000 0.502 227 G N -0.388 108.472 108.800 0.099 0.000 4.530 227 G HA2 0.360 4.321 3.960 0.001 0.000 0.284 227 G HA3 0.360 4.321 3.960 0.001 0.000 0.284 227 G C -0.310 174.686 174.900 0.160 0.000 1.008 227 G CA -0.063 45.121 45.100 0.140 0.000 0.770 227 G HN 0.044 nan 8.290 nan 0.000 0.424 228 V N 2.328 122.340 119.914 0.163 0.000 2.350 228 V HA 0.605 4.726 4.120 0.001 0.000 0.276 228 V C -0.039 176.208 176.094 0.255 0.000 1.028 228 V CA -0.324 62.113 62.300 0.228 0.000 0.860 228 V CB 0.959 32.916 31.823 0.224 0.000 0.990 228 V HN 0.210 nan 8.190 nan 0.000 0.453 229 L N 5.340 126.730 121.223 0.279 0.000 2.283 229 L HA 0.763 5.104 4.340 0.001 0.000 0.259 229 L C 0.606 177.486 176.870 0.017 0.000 1.027 229 L CA -0.895 54.035 54.840 0.151 0.000 0.828 229 L CB 2.259 44.391 42.059 0.122 0.000 1.380 229 L HN 0.717 nan 8.230 nan 0.000 0.425 230 R N 0.529 120.962 120.500 -0.111 0.000 5.266 230 R HA 0.468 4.808 4.340 0.001 0.000 0.074 230 R C -0.497 175.719 176.300 -0.140 0.000 0.697 230 R CA -0.743 55.200 56.100 -0.262 0.000 1.217 230 R CB 0.720 30.627 30.300 -0.654 0.000 1.389 230 R HN 0.444 nan 8.270 nan 0.000 0.392 231 R N 0.491 120.922 120.500 -0.115 0.000 6.104 231 R HA 0.234 4.575 4.340 0.001 0.000 0.281 231 R C -1.975 174.289 176.300 -0.061 0.000 0.830 231 R CA 0.444 56.501 56.100 -0.072 0.000 1.582 231 R CB 0.903 31.161 30.300 -0.071 0.000 1.270 231 R HN 0.377 nan 8.270 nan 0.000 0.726 232 V N 3.423 123.312 119.914 -0.042 0.000 5.591 232 V HA 0.338 4.459 4.120 0.001 0.000 0.278 232 V C -0.856 175.223 176.094 -0.026 0.000 0.977 232 V CA 0.369 62.648 62.300 -0.034 0.000 1.561 232 V CB -0.823 30.977 31.823 -0.038 0.000 0.723 232 V HN 1.171 nan 8.190 nan 0.000 0.446 233 A N 3.189 125.998 122.820 -0.018 0.000 2.352 233 A HA 1.113 5.433 4.320 0.001 0.000 0.299 233 A C 0.910 178.486 177.584 -0.012 0.000 1.160 233 A CA 0.415 52.444 52.037 -0.013 0.000 0.933 233 A CB 1.341 20.338 19.000 -0.005 0.000 1.387 233 A HN 2.721 nan 8.150 nan 0.000 0.487 234 A N 0.000 122.815 122.820 -0.009 0.000 2.254 234 A HA 0.000 4.321 4.320 0.001 0.000 0.244 234 A CA 0.000 52.032 52.037 -0.008 0.000 0.836 234 A CB 0.000 18.995 19.000 -0.008 0.000 0.831 234 A HN 0.000 nan 8.150 nan 0.000 0.486