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 2awa_1_A DATA FIRST_RESID 2 DATA SEQUENCE IHFSINKNLF LQALNTTKRA ISSKNAIPIL STVKIDVTNE GITLIGSNGQ DATA SEQUENCE ISIENFISQK NEDAGLLITS LGSILLEASF FINVVSSLPD VTLDFKEIEQ DATA SEQUENCE NQIVLTSGKS EITLKGKDSE QYPRIQEISA STPLILETKL LKKIINETAF DATA SEQUENCE AASTQESRPI LTGVHFVLSQ HKELKTVATD SHRLSQKKLT LEKNSDDFDV DATA SEQUENCE VIPSRSLREF SAVFTDDIET VEIFFANNQI LFRSENISFY TRLLEGNYPD DATA SEQUENCE TDRLIPTDFN TTITFNVVNL RQSXERARLL SSATQNGTVK LEIKDGVVSA DATA SEQUENCE HVHSPEVGKV NEEIDTDQVT GEDLTISFNP TYLIDSLKAL NSEKVTISFI DATA SEQUENCE SAVRPFTLVP ADTDEDFXQL ITPVRT 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 2 I HA 0.000 nan 4.170 nan 0.000 0.288 2 I C 0.000 176.263 176.117 0.244 0.000 1.063 2 I CA 0.000 61.435 61.300 0.226 0.000 1.566 2 I CB 0.000 38.193 38.000 0.322 0.000 1.214 3 H N 6.172 125.347 119.070 0.175 0.000 3.224 3 H HA 0.643 5.199 4.556 -0.001 0.000 0.331 3 H C -1.694 173.725 175.328 0.152 0.000 1.002 3 H CA -0.590 55.522 56.048 0.107 0.000 1.473 3 H CB 1.361 31.154 29.762 0.053 0.000 1.830 3 H HN 0.450 nan 8.280 nan 0.000 0.485 4 F N 1.890 122.029 119.950 0.316 0.000 2.643 4 F HA 0.746 5.272 4.527 -0.002 0.000 0.314 4 F C -1.294 174.569 175.800 0.105 0.000 1.096 4 F CA -0.997 57.060 58.000 0.096 0.000 0.953 4 F CB 1.462 40.417 39.000 -0.076 0.000 1.345 4 F HN 0.324 nan 8.300 nan 0.000 0.468 5 S N 1.848 117.649 115.700 0.168 0.000 2.568 5 S HA 0.893 5.363 4.470 -0.001 0.000 0.293 5 S C -1.161 173.507 174.600 0.113 0.000 1.089 5 S CA -0.684 57.555 58.200 0.064 0.000 0.945 5 S CB 2.034 65.250 63.200 0.026 0.000 1.077 5 S HN 1.176 nan 8.310 nan 0.000 0.485 6 I N 1.072 121.665 120.570 0.039 0.000 2.947 6 I HA 0.339 4.509 4.170 -0.001 0.000 0.301 6 I C -1.449 174.671 176.117 0.004 0.000 1.453 6 I CA -0.660 60.644 61.300 0.008 0.000 0.984 6 I CB 2.000 39.967 38.000 -0.055 0.000 1.333 6 I HN 0.890 nan 8.210 nan 0.000 0.475 7 N N 5.427 124.135 118.700 0.013 0.000 2.447 7 N HA -0.018 4.721 4.740 -0.001 0.000 0.263 7 N C 0.556 176.112 175.510 0.076 0.000 1.226 7 N CA 0.523 53.592 53.050 0.032 0.000 0.906 7 N CB 1.360 39.860 38.487 0.021 0.000 1.060 7 N HN 0.763 nan 8.380 nan 0.000 0.468 8 K N 4.529 124.977 120.400 0.079 0.000 2.001 8 K HA -0.144 4.175 4.320 -0.001 0.000 0.208 8 K C 1.069 177.741 176.600 0.120 0.000 1.048 8 K CA 1.297 57.660 56.287 0.128 0.000 0.932 8 K CB -0.035 32.512 32.500 0.079 0.000 0.715 8 K HN 0.460 nan 8.250 nan 0.000 0.437 9 N N 1.169 119.904 118.700 0.059 0.000 2.137 9 N HA -0.200 4.539 4.740 -0.001 0.000 0.190 9 N C 1.784 177.316 175.510 0.036 0.000 1.017 9 N CA 1.305 54.373 53.050 0.031 0.000 0.859 9 N CB -0.298 38.196 38.487 0.012 0.000 1.002 9 N HN 0.280 nan 8.380 nan 0.000 0.428 10 L N -0.660 120.597 121.223 0.057 0.000 2.109 10 L HA -0.044 4.295 4.340 -0.001 0.000 0.207 10 L C 2.035 178.970 176.870 0.108 0.000 1.086 10 L CA 0.930 55.801 54.840 0.053 0.000 0.760 10 L CB -0.235 41.847 42.059 0.037 0.000 0.910 10 L HN -0.030 nan 8.230 nan 0.000 0.437 11 F N -0.247 119.685 119.950 -0.029 0.000 2.113 11 F HA -0.216 4.310 4.527 -0.001 0.000 0.297 11 F C 2.061 177.834 175.800 -0.044 0.000 1.103 11 F CA 1.667 59.654 58.000 -0.022 0.000 1.248 11 F CB -0.490 38.531 39.000 0.035 0.000 0.999 11 F HN 0.089 nan 8.300 nan 0.000 0.475 12 L N 0.696 121.899 121.223 -0.033 0.000 2.017 12 L HA -0.216 4.124 4.340 -0.001 0.000 0.208 12 L C 2.553 179.336 176.870 -0.144 0.000 1.073 12 L CA 2.134 56.874 54.840 -0.167 0.000 0.745 12 L CB -1.347 40.653 42.059 -0.099 0.000 0.894 12 L HN 0.387 nan 8.230 nan 0.000 0.432 13 Q N -0.812 118.941 119.800 -0.079 0.000 2.077 13 Q HA -0.260 4.079 4.340 -0.001 0.000 0.206 13 Q C 2.074 178.018 176.000 -0.092 0.000 0.989 13 Q CA 2.189 57.947 55.803 -0.075 0.000 0.853 13 Q CB -0.233 28.477 28.738 -0.047 0.000 0.907 13 Q HN 0.630 nan 8.270 nan 0.000 0.418 14 A N 0.492 123.260 122.820 -0.086 0.000 1.972 14 A HA -0.133 4.186 4.320 -0.001 0.000 0.219 14 A C 2.038 179.542 177.584 -0.134 0.000 1.169 14 A CA 1.145 53.128 52.037 -0.091 0.000 0.635 14 A CB -0.538 18.434 19.000 -0.048 0.000 0.810 14 A HN 0.445 nan 8.150 nan 0.000 0.446 15 L N -0.350 120.740 121.223 -0.222 0.000 2.072 15 L HA -0.138 4.201 4.340 -0.001 0.000 0.205 15 L C 2.131 178.919 176.870 -0.138 0.000 1.079 15 L CA 0.958 55.664 54.840 -0.224 0.000 0.752 15 L CB -0.529 41.300 42.059 -0.384 0.000 0.906 15 L HN 0.352 nan 8.230 nan 0.000 0.436 16 N N -0.688 117.931 118.700 -0.135 0.000 2.364 16 N HA -0.123 4.617 4.740 -0.001 0.000 0.183 16 N C 1.736 177.196 175.510 -0.083 0.000 1.022 16 N CA 1.577 54.569 53.050 -0.097 0.000 0.883 16 N CB -0.171 38.259 38.487 -0.095 0.000 0.965 16 N HN 0.335 nan 8.380 nan 0.000 0.438 17 T N 0.378 114.875 114.554 -0.095 0.000 2.732 17 T HA -0.052 4.297 4.350 -0.001 0.000 0.261 17 T C 1.944 176.602 174.700 -0.069 0.000 1.040 17 T CA 1.423 63.460 62.100 -0.106 0.000 1.145 17 T CB -0.480 68.309 68.868 -0.133 0.000 0.866 17 T HN 0.270 nan 8.240 nan 0.000 0.427 18 T N 2.103 116.628 114.554 -0.048 0.000 2.759 18 T HA -0.106 4.243 4.350 -0.001 0.000 0.269 18 T C 1.895 176.606 174.700 0.018 0.000 1.042 18 T CA 0.997 63.094 62.100 -0.004 0.000 1.140 18 T CB -0.178 68.685 68.868 -0.008 0.000 0.864 18 T HN 0.278 nan 8.240 nan 0.000 0.455 19 K N 0.719 121.118 120.400 -0.002 0.000 2.211 19 K HA -0.114 4.205 4.320 -0.001 0.000 0.204 19 K C 2.364 178.982 176.600 0.031 0.000 1.047 19 K CA 0.669 56.966 56.287 0.018 0.000 0.935 19 K CB -0.012 32.487 32.500 -0.001 0.000 0.728 19 K HN 0.099 nan 8.250 nan 0.000 0.452 20 R N -0.296 120.216 120.500 0.019 0.000 2.170 20 R HA -0.143 4.196 4.340 -0.001 0.000 0.242 20 R C 1.692 178.041 176.300 0.082 0.000 1.145 20 R CA 1.330 57.452 56.100 0.037 0.000 0.984 20 R CB -0.588 29.721 30.300 0.015 0.000 0.869 20 R HN 0.201 nan 8.270 nan 0.000 0.455 21 A N 0.003 122.880 122.820 0.095 0.000 2.387 21 A HA 0.284 4.603 4.320 -0.001 0.000 0.234 21 A C 0.601 178.238 177.584 0.089 0.000 1.253 21 A CA -0.262 51.839 52.037 0.106 0.000 0.894 21 A CB 0.270 19.341 19.000 0.120 0.000 0.963 21 A HN 0.072 nan 8.150 nan 0.000 0.508 22 I N 1.210 121.829 120.570 0.081 0.000 2.382 22 I HA 0.247 4.416 4.170 -0.001 0.000 0.286 22 I C -0.438 175.720 176.117 0.068 0.000 1.002 22 I CA -0.280 61.069 61.300 0.082 0.000 1.135 22 I CB 2.003 40.057 38.000 0.090 0.000 1.288 22 I HN 0.014 nan 8.210 nan 0.000 0.448 23 S N 3.311 119.048 115.700 0.062 0.000 2.617 23 S HA 0.458 4.927 4.470 -0.001 0.000 0.283 23 S C 1.206 175.838 174.600 0.053 0.000 1.189 23 S CA -0.221 58.011 58.200 0.053 0.000 1.036 23 S CB 1.800 65.028 63.200 0.046 0.000 1.014 23 S HN 0.832 nan 8.310 nan 0.000 0.522 24 S N 1.516 117.246 115.700 0.049 0.000 2.355 24 S HA 0.014 4.483 4.470 -0.001 0.000 0.222 24 S C 1.141 175.764 174.600 0.039 0.000 1.031 24 S CA 1.030 59.259 58.200 0.048 0.000 0.993 24 S CB -0.103 63.125 63.200 0.046 0.000 0.859 24 S HN 0.390 nan 8.310 nan 0.000 0.453 25 K N 1.424 121.844 120.400 0.033 0.000 2.156 25 K HA 0.633 4.952 4.320 -0.001 0.000 0.271 25 K C -1.333 175.282 176.600 0.024 0.000 0.995 25 K CA -0.519 55.784 56.287 0.025 0.000 0.890 25 K CB 1.031 33.545 32.500 0.022 0.000 1.073 25 K HN 0.638 nan 8.250 nan 0.000 0.454 26 N N -0.256 118.454 118.700 0.017 0.000 2.367 26 N HA 0.401 5.140 4.740 -0.001 0.000 0.278 26 N C 0.403 175.915 175.510 0.003 0.000 1.117 26 N CA -0.129 52.927 53.050 0.010 0.000 0.867 26 N CB 1.837 40.329 38.487 0.008 0.000 1.649 26 N HN 0.513 nan 8.380 nan 0.000 0.479 27 A N 0.824 123.643 122.820 -0.001 0.000 1.902 27 A HA -0.005 4.315 4.320 -0.001 0.000 0.217 27 A C 0.695 178.270 177.584 -0.014 0.000 1.181 27 A CA 1.093 53.126 52.037 -0.006 0.000 0.623 27 A CB -0.228 18.768 19.000 -0.007 0.000 0.818 27 A HN 0.481 nan 8.150 nan 0.000 0.443 28 I N 0.820 121.375 120.570 -0.024 0.000 2.269 28 I HA 0.194 4.364 4.170 -0.001 0.000 0.293 28 I C -1.714 174.384 176.117 -0.031 0.000 1.106 28 I CA -1.439 59.838 61.300 -0.038 0.000 1.248 28 I CB 0.125 38.085 38.000 -0.067 0.000 1.444 28 I HN 0.254 nan 8.210 nan 0.000 0.497 29 P HA -0.177 nan 4.420 nan 0.000 0.217 29 P C 1.888 179.192 177.300 0.007 0.000 1.148 29 P CA 0.984 64.082 63.100 -0.002 0.000 0.828 29 P CB 0.251 31.951 31.700 -0.001 0.000 0.783 30 I N -1.115 119.451 120.570 -0.007 0.000 2.756 30 I HA -0.129 4.040 4.170 -0.001 0.000 0.262 30 I C 1.668 177.812 176.117 0.046 0.000 1.225 30 I CA 1.046 62.359 61.300 0.021 0.000 1.472 30 I CB -0.732 37.264 38.000 -0.008 0.000 1.094 30 I HN -0.136 nan 8.210 nan 0.000 0.454 31 L N -0.136 121.080 121.223 -0.012 0.000 2.622 31 L HA -0.039 4.301 4.340 -0.001 0.000 0.233 31 L C 2.124 179.055 176.870 0.101 0.000 1.156 31 L CA 0.863 55.718 54.840 0.024 0.000 0.866 31 L CB -0.779 41.255 42.059 -0.042 0.000 0.980 31 L HN 0.368 nan 8.230 nan 0.000 0.448 32 S N -2.061 113.693 115.700 0.090 0.000 2.562 32 S HA -0.030 4.440 4.470 -0.001 0.000 0.221 32 S C 1.056 175.730 174.600 0.123 0.000 0.975 32 S CA 0.064 58.321 58.200 0.095 0.000 0.918 32 S CB -0.729 62.514 63.200 0.071 0.000 0.772 32 S HN 0.477 nan 8.310 nan 0.000 0.531 33 T N -0.402 114.247 114.554 0.159 0.000 2.918 33 T HA 0.644 4.993 4.350 -0.001 0.000 0.283 33 T C -0.272 174.511 174.700 0.138 0.000 1.001 33 T CA -0.764 61.425 62.100 0.148 0.000 1.041 33 T CB 1.570 70.526 68.868 0.148 0.000 1.028 33 T HN 0.122 nan 8.240 nan 0.000 0.511 34 V N 1.600 121.559 119.914 0.076 0.000 2.481 34 V HA 0.540 4.659 4.120 -0.001 0.000 0.286 34 V C -0.007 176.024 176.094 -0.105 0.000 1.042 34 V CA -0.945 61.360 62.300 0.008 0.000 0.928 34 V CB 1.175 33.042 31.823 0.073 0.000 0.986 34 V HN 1.069 nan 8.190 nan 0.000 0.462 35 K N 6.470 126.703 120.400 -0.278 0.000 2.211 35 K HA 0.549 4.868 4.320 -0.001 0.000 0.275 35 K C -1.002 175.507 176.600 -0.152 0.000 1.024 35 K CA -0.453 55.638 56.287 -0.327 0.000 0.887 35 K CB 0.936 33.029 32.500 -0.678 0.000 1.084 35 K HN 0.738 nan 8.250 nan 0.000 0.463 36 I N 4.372 124.898 120.570 -0.074 0.000 2.359 36 I HA 0.178 4.347 4.170 -0.001 0.000 0.284 36 I C -0.765 175.330 176.117 -0.036 0.000 1.018 36 I CA -0.802 60.480 61.300 -0.030 0.000 1.173 36 I CB 1.456 39.472 38.000 0.027 0.000 1.326 36 I HN 0.552 nan 8.210 nan 0.000 0.462 37 D N 6.182 126.555 120.400 -0.046 0.000 2.193 37 D HA 0.435 5.075 4.640 -0.001 0.000 0.244 37 D C -0.546 175.722 176.300 -0.053 0.000 1.064 37 D CA -0.130 53.854 54.000 -0.027 0.000 0.845 37 D CB 2.723 43.519 40.800 -0.007 0.000 1.148 37 D HN 0.044 nan 8.370 nan 0.000 0.464 38 V N 2.296 122.186 119.914 -0.039 0.000 2.444 38 V HA 0.525 4.644 4.120 -0.001 0.000 0.294 38 V C 0.536 176.623 176.094 -0.011 0.000 1.022 38 V CA -0.617 61.637 62.300 -0.076 0.000 0.850 38 V CB 1.632 33.420 31.823 -0.057 0.000 0.992 38 V HN 0.732 nan 8.190 nan 0.000 0.426 39 T N 0.273 114.826 114.554 -0.002 0.000 2.883 39 T HA 0.383 4.732 4.350 -0.001 0.000 0.284 39 T C 0.828 175.542 174.700 0.023 0.000 1.041 39 T CA -0.750 61.366 62.100 0.027 0.000 1.007 39 T CB 1.426 70.325 68.868 0.051 0.000 1.220 39 T HN 0.285 nan 8.240 nan 0.000 0.552 40 N N 0.822 119.541 118.700 0.031 0.000 2.205 40 N HA -0.111 4.628 4.740 -0.001 0.000 0.186 40 N C 1.624 177.158 175.510 0.041 0.000 1.015 40 N CA 1.179 54.246 53.050 0.028 0.000 0.862 40 N CB -0.342 38.160 38.487 0.026 0.000 0.986 40 N HN 0.605 nan 8.380 nan 0.000 0.429 41 E N -0.036 120.215 120.200 0.085 0.000 2.106 41 E HA 0.081 4.431 4.350 -0.001 0.000 0.192 41 E C 1.339 178.043 176.600 0.173 0.000 0.984 41 E CA 0.841 57.344 56.400 0.172 0.000 0.806 41 E CB -0.176 29.681 29.700 0.261 0.000 0.750 41 E HN 0.373 nan 8.360 nan 0.000 0.458 42 G N -0.368 108.479 108.800 0.079 0.000 2.333 42 G HA2 0.300 4.259 3.960 -0.001 0.000 0.288 42 G HA3 0.300 4.259 3.960 -0.001 0.000 0.288 42 G C -1.497 173.285 174.900 -0.197 0.000 1.286 42 G CA -0.847 44.134 45.100 -0.199 0.000 0.865 42 G HN 0.004 nan 8.290 nan 0.000 0.506 43 I N 0.947 121.269 120.570 -0.412 0.000 2.404 43 I HA 0.475 4.644 4.170 -0.001 0.000 0.293 43 I C -0.142 175.883 176.117 -0.152 0.000 0.992 43 I CA -0.571 60.533 61.300 -0.326 0.000 1.149 43 I CB 2.258 39.947 38.000 -0.518 0.000 1.315 43 I HN 0.348 nan 8.210 nan 0.000 0.446 44 T N 7.191 121.754 114.554 0.015 0.000 2.758 44 T HA 0.520 4.870 4.350 -0.001 0.000 0.285 44 T C -0.178 174.535 174.700 0.022 0.000 0.981 44 T CA -0.477 61.690 62.100 0.110 0.000 0.965 44 T CB 0.705 69.667 68.868 0.157 0.000 0.927 44 T HN 0.259 nan 8.240 nan 0.000 0.448 45 L N 4.602 125.840 121.223 0.025 0.000 2.289 45 L HA 0.601 4.941 4.340 -0.001 0.000 0.285 45 L C -0.290 176.583 176.870 0.004 0.000 1.049 45 L CA -0.712 54.129 54.840 0.003 0.000 0.804 45 L CB 0.858 42.916 42.059 -0.002 0.000 1.195 45 L HN 0.492 nan 8.230 nan 0.000 0.428 46 I N 2.173 122.716 120.570 -0.045 0.000 2.465 46 I HA 0.661 4.830 4.170 -0.001 0.000 0.291 46 I C 0.237 176.330 176.117 -0.040 0.000 1.014 46 I CA -0.390 60.887 61.300 -0.039 0.000 1.093 46 I CB 2.127 40.074 38.000 -0.089 0.000 1.267 46 I HN 0.643 nan 8.210 nan 0.000 0.431 47 G N 3.032 111.874 108.800 0.069 0.000 2.619 47 G HA2 0.825 4.785 3.960 -0.001 0.000 0.296 47 G HA3 0.825 4.785 3.960 -0.001 0.000 0.296 47 G C -1.358 173.650 174.900 0.180 0.000 1.334 47 G CA -0.590 44.596 45.100 0.143 0.000 0.934 47 G HN 0.682 nan 8.290 nan 0.000 0.476 48 S N -0.819 114.997 115.700 0.193 0.000 2.580 48 S HA 0.410 4.880 4.470 -0.001 0.000 0.281 48 S C -0.454 174.188 174.600 0.069 0.000 1.129 48 S CA -0.780 57.486 58.200 0.110 0.000 0.862 48 S CB 1.731 64.982 63.200 0.085 0.000 1.090 48 S HN 1.015 nan 8.310 nan 0.000 0.451 49 N N -0.010 118.712 118.700 0.036 0.000 2.170 49 N HA 0.393 5.133 4.740 -0.001 0.000 0.222 49 N C 1.184 176.695 175.510 0.001 0.000 1.218 49 N CA 0.388 53.452 53.050 0.024 0.000 0.889 49 N CB 0.582 39.094 38.487 0.041 0.000 1.083 49 N HN 1.728 nan 8.380 nan 0.000 0.520 50 G N -0.071 108.718 108.800 -0.018 0.000 2.258 50 G HA2 -0.305 3.654 3.960 -0.001 0.000 0.233 50 G HA3 -0.305 3.654 3.960 -0.001 0.000 0.233 50 G C 0.942 175.832 174.900 -0.016 0.000 1.006 50 G CA 0.456 45.540 45.100 -0.028 0.000 0.620 50 G HN 0.316 nan 8.290 nan 0.000 0.511 51 Q N -0.116 119.683 119.800 -0.001 0.000 2.462 51 Q HA 0.396 4.735 4.340 -0.001 0.000 0.224 51 Q C 1.658 177.648 176.000 -0.016 0.000 0.911 51 Q CA 1.376 57.183 55.803 0.006 0.000 0.925 51 Q CB 0.637 29.393 28.738 0.031 0.000 1.063 51 Q HN 0.931 nan 8.270 nan 0.000 0.572 52 I N -2.419 118.134 120.570 -0.028 0.000 2.892 52 I HA 0.684 4.853 4.170 -0.001 0.000 0.306 52 I C -0.734 175.347 176.117 -0.059 0.000 1.078 52 I CA -0.903 60.331 61.300 -0.110 0.000 1.032 52 I CB 2.514 40.417 38.000 -0.162 0.000 1.229 52 I HN -0.291 nan 8.210 nan 0.000 0.435 53 S N 3.821 119.480 115.700 -0.069 0.000 2.541 53 S HA 0.702 5.171 4.470 -0.001 0.000 0.280 53 S C -0.718 173.957 174.600 0.125 0.000 1.112 53 S CA -0.533 57.696 58.200 0.047 0.000 0.925 53 S CB 1.929 65.146 63.200 0.028 0.000 1.067 53 S HN 0.520 nan 8.310 nan 0.000 0.479 54 I N 2.019 122.685 120.570 0.160 0.000 2.498 54 I HA 0.403 4.572 4.170 -0.001 0.000 0.290 54 I C -0.554 175.661 176.117 0.164 0.000 1.032 54 I CA -0.424 60.994 61.300 0.196 0.000 1.073 54 I CB 2.059 40.159 38.000 0.166 0.000 1.251 54 I HN 0.533 nan 8.210 nan 0.000 0.426 55 E N 4.738 125.049 120.200 0.184 0.000 2.191 55 E HA 0.316 4.665 4.350 -0.001 0.000 0.263 55 E C -1.104 175.572 176.600 0.126 0.000 0.881 55 E CA -0.761 55.726 56.400 0.146 0.000 0.757 55 E CB 2.128 31.932 29.700 0.174 0.000 1.147 55 E HN 0.302 nan 8.360 nan 0.000 0.414 56 N N 3.292 122.051 118.700 0.098 0.000 2.442 56 N HA 0.230 4.970 4.740 -0.001 0.000 0.274 56 N C -1.840 173.747 175.510 0.128 0.000 1.002 56 N CA -0.521 52.581 53.050 0.086 0.000 0.910 56 N CB 0.636 39.134 38.487 0.018 0.000 1.244 56 N HN 0.335 nan 8.380 nan 0.000 0.492 57 F N 4.695 124.643 119.950 -0.004 0.000 2.415 57 F HA 0.596 5.123 4.527 -0.000 0.000 0.348 57 F C -0.521 175.266 175.800 -0.021 0.000 1.119 57 F CA -0.935 57.056 58.000 -0.016 0.000 1.069 57 F CB 0.595 39.591 39.000 -0.007 0.000 1.124 57 F HN 0.345 nan 8.300 nan 0.000 0.472 58 I N 5.231 125.345 120.570 -0.760 0.000 2.362 58 I HA 0.236 4.405 4.170 -0.001 0.000 0.289 58 I C -0.071 175.375 176.117 -1.118 0.000 0.994 58 I CA -0.673 60.221 61.300 -0.676 0.000 1.158 58 I CB 1.572 39.352 38.000 -0.368 0.000 1.315 58 I HN 0.559 nan 8.210 nan 0.000 0.451 59 S N 4.546 119.764 115.700 -0.803 0.000 2.562 59 S HA 0.173 4.643 4.470 -0.001 0.000 0.275 59 S C 0.998 175.449 174.600 -0.248 0.000 1.281 59 S CA -0.348 57.562 58.200 -0.483 0.000 1.045 59 S CB 1.247 64.421 63.200 -0.042 0.000 0.962 59 S HN 0.694 nan 8.310 nan 0.000 0.503 60 Q N 2.804 122.511 119.800 -0.156 0.000 2.135 60 Q HA -0.151 4.189 4.340 -0.001 0.000 0.204 60 Q C 1.573 177.540 176.000 -0.055 0.000 0.981 60 Q CA 1.566 57.312 55.803 -0.095 0.000 0.856 60 Q CB -0.137 28.569 28.738 -0.052 0.000 0.902 60 Q HN 0.709 nan 8.270 nan 0.000 0.425 61 K N 0.791 121.176 120.400 -0.025 0.000 2.362 61 K HA -0.058 4.261 4.320 -0.001 0.000 0.200 61 K C 0.744 177.336 176.600 -0.014 0.000 1.046 61 K CA -0.036 56.247 56.287 -0.006 0.000 0.952 61 K CB -0.127 32.386 32.500 0.021 0.000 0.753 61 K HN 0.067 nan 8.250 nan 0.000 0.466 62 N N 2.031 120.710 118.700 -0.036 0.000 2.417 62 N HA -0.097 4.642 4.740 -0.001 0.000 0.272 62 N C 0.898 176.389 175.510 -0.031 0.000 1.304 62 N CA 0.740 53.769 53.050 -0.036 0.000 0.906 62 N CB 0.902 39.348 38.487 -0.068 0.000 1.135 62 N HN 0.315 nan 8.380 nan 0.000 0.483 63 E N 3.147 123.337 120.200 -0.017 0.000 2.153 63 E HA -0.187 4.162 4.350 -0.001 0.000 0.194 63 E C 1.017 177.608 176.600 -0.015 0.000 0.988 63 E CA 1.599 57.991 56.400 -0.013 0.000 0.811 63 E CB -0.437 29.259 29.700 -0.007 0.000 0.746 63 E HN 0.714 nan 8.360 nan 0.000 0.466 64 D N -0.407 119.984 120.400 -0.016 0.000 2.269 64 D HA 0.134 4.773 4.640 -0.001 0.000 0.208 64 D C 2.029 178.320 176.300 -0.015 0.000 0.963 64 D CA 1.127 55.119 54.000 -0.013 0.000 0.864 64 D CB -0.037 40.757 40.800 -0.011 0.000 0.936 64 D HN 0.485 nan 8.370 nan 0.000 0.505 65 A N 0.218 123.021 122.820 -0.028 0.000 2.021 65 A HA 0.320 4.639 4.320 -0.001 0.000 0.216 65 A C 1.854 179.423 177.584 -0.026 0.000 1.163 65 A CA 1.075 53.092 52.037 -0.033 0.000 0.676 65 A CB -0.499 18.459 19.000 -0.071 0.000 0.818 65 A HN 0.223 nan 8.150 nan 0.000 0.453 66 G N -0.941 107.845 108.800 -0.025 0.000 2.323 66 G HA2 -0.157 3.803 3.960 -0.001 0.000 0.292 66 G HA3 -0.157 3.803 3.960 -0.001 0.000 0.292 66 G C -0.051 174.838 174.900 -0.018 0.000 1.040 66 G CA 0.476 45.566 45.100 -0.017 0.000 0.942 66 G HN 1.105 nan 8.290 nan 0.000 0.506 67 L N 0.134 121.334 121.223 -0.037 0.000 2.265 67 L HA 0.850 5.189 4.340 -0.001 0.000 0.288 67 L C -0.332 176.525 176.870 -0.023 0.000 1.058 67 L CA -1.331 53.483 54.840 -0.043 0.000 0.809 67 L CB 1.353 43.341 42.059 -0.119 0.000 1.179 67 L HN 0.207 nan 8.230 nan 0.000 0.429 68 L N 6.685 127.919 121.223 0.017 0.000 2.376 68 L HA 0.598 4.938 4.340 -0.001 0.000 0.275 68 L C -1.013 175.889 176.870 0.054 0.000 0.987 68 L CA -0.100 54.748 54.840 0.013 0.000 0.828 68 L CB 1.462 43.519 42.059 -0.003 0.000 1.249 68 L HN 0.583 nan 8.230 nan 0.000 0.409 69 I N 4.263 124.854 120.570 0.035 0.000 2.339 69 I HA 0.359 4.528 4.170 -0.001 0.000 0.290 69 I C 0.660 176.799 176.117 0.036 0.000 0.994 69 I CA -0.094 61.249 61.300 0.072 0.000 1.191 69 I CB 1.853 39.868 38.000 0.024 0.000 1.343 69 I HN 0.786 nan 8.210 nan 0.000 0.458 70 T N -0.324 114.252 114.554 0.037 0.000 2.975 70 T HA 0.204 4.553 4.350 -0.001 0.000 0.257 70 T C 0.459 175.183 174.700 0.039 0.000 1.003 70 T CA -0.291 61.804 62.100 -0.009 0.000 0.932 70 T CB 0.453 69.253 68.868 -0.113 0.000 1.087 70 T HN 0.399 nan 8.240 nan 0.000 0.512 71 S N 0.261 116.026 115.700 0.108 0.000 2.543 71 S HA 0.689 5.158 4.470 -0.001 0.000 0.271 71 S C -1.119 173.561 174.600 0.133 0.000 1.148 71 S CA -0.897 57.374 58.200 0.118 0.000 0.914 71 S CB 0.925 64.214 63.200 0.148 0.000 1.096 71 S HN 0.388 nan 8.310 nan 0.000 0.471 72 L N 2.955 124.234 121.223 0.093 0.000 2.448 72 L HA 0.958 5.298 4.340 -0.001 0.000 0.258 72 L C 1.109 178.030 176.870 0.085 0.000 1.104 72 L CA -0.400 54.488 54.840 0.081 0.000 0.800 72 L CB 0.995 43.086 42.059 0.052 0.000 1.241 72 L HN 0.936 nan 8.230 nan 0.000 0.472 73 G N -0.082 108.761 108.800 0.072 0.000 2.339 73 G HA2 0.300 4.260 3.960 -0.001 0.000 0.275 73 G HA3 0.300 4.260 3.960 -0.001 0.000 0.275 73 G C -1.513 173.424 174.900 0.061 0.000 1.323 73 G CA 0.058 45.198 45.100 0.067 0.000 0.927 73 G HN 0.820 nan 8.290 nan 0.000 0.486 74 S N -1.145 114.593 115.700 0.064 0.000 2.542 74 S HA 0.781 5.250 4.470 -0.001 0.000 0.276 74 S C -1.306 173.327 174.600 0.055 0.000 1.148 74 S CA 0.137 58.365 58.200 0.046 0.000 0.886 74 S CB 1.514 64.727 63.200 0.021 0.000 1.109 74 S HN 1.855 nan 8.310 nan 0.000 0.458 75 I N 2.539 123.138 120.570 0.049 0.000 3.066 75 I HA 0.533 4.702 4.170 -0.001 0.000 0.307 75 I C -1.950 174.168 176.117 0.002 0.000 1.366 75 I CA -1.239 60.087 61.300 0.043 0.000 0.972 75 I CB 1.766 39.819 38.000 0.088 0.000 1.307 75 I HN 0.775 nan 8.210 nan 0.000 0.470 76 L N 5.733 126.953 121.223 -0.005 0.000 2.329 76 L HA 0.620 4.960 4.340 -0.001 0.000 0.279 76 L C -1.198 175.652 176.870 -0.033 0.000 1.014 76 L CA -0.710 54.118 54.840 -0.021 0.000 0.814 76 L CB 1.672 43.748 42.059 0.030 0.000 1.257 76 L HN 0.395 nan 8.230 nan 0.000 0.424 77 L N 2.077 123.264 121.223 -0.060 0.000 2.381 77 L HA 0.400 4.740 4.340 -0.001 0.000 0.268 77 L C -0.157 176.737 176.870 0.040 0.000 0.997 77 L CA -0.912 53.880 54.840 -0.080 0.000 0.818 77 L CB 2.384 44.224 42.059 -0.365 0.000 1.310 77 L HN 0.489 nan 8.230 nan 0.000 0.416 78 E N 1.719 121.976 120.200 0.096 0.000 2.383 78 E HA 0.014 4.364 4.350 -0.001 0.000 0.257 78 E C 0.643 177.375 176.600 0.220 0.000 1.079 78 E CA 0.190 56.677 56.400 0.146 0.000 0.934 78 E CB 1.415 31.199 29.700 0.140 0.000 0.978 78 E HN 0.724 nan 8.360 nan 0.000 0.462 79 A N 3.952 126.884 122.820 0.188 0.000 1.859 79 A HA -0.235 4.084 4.320 -0.001 0.000 0.217 79 A C 2.283 179.981 177.584 0.191 0.000 1.198 79 A CA 2.012 54.172 52.037 0.204 0.000 0.629 79 A CB -0.387 18.695 19.000 0.137 0.000 0.830 79 A HN 0.566 nan 8.150 nan 0.000 0.446 80 S N -1.124 114.670 115.700 0.157 0.000 2.359 80 S HA -0.167 4.302 4.470 -0.001 0.000 0.224 80 S C 1.719 176.415 174.600 0.161 0.000 1.035 80 S CA 1.627 59.903 58.200 0.127 0.000 1.018 80 S CB -0.577 62.694 63.200 0.119 0.000 0.876 80 S HN 0.558 nan 8.310 nan 0.000 0.448 81 F N 1.672 121.672 119.950 0.084 0.000 2.102 81 F HA -0.096 4.431 4.527 -0.000 0.000 0.298 81 F C 1.965 177.847 175.800 0.136 0.000 1.105 81 F CA 1.102 59.155 58.000 0.089 0.000 1.239 81 F CB -0.642 38.410 39.000 0.086 0.000 0.991 81 F HN 0.212 nan 8.300 nan 0.000 0.474 82 F N 0.903 120.871 119.950 0.029 0.000 2.095 82 F HA -0.206 4.320 4.527 -0.001 0.000 0.298 82 F C 2.168 177.906 175.800 -0.104 0.000 1.104 82 F CA 1.666 59.639 58.000 -0.044 0.000 1.232 82 F CB -0.964 38.075 39.000 0.065 0.000 0.987 82 F HN 0.011 nan 8.300 nan 0.000 0.475 83 I N 0.357 120.791 120.570 -0.228 0.000 2.286 83 I HA -0.351 3.818 4.170 -0.001 0.000 0.248 83 I C 2.000 177.944 176.117 -0.289 0.000 1.115 83 I CA 1.271 62.357 61.300 -0.357 0.000 1.392 83 I CB -0.599 37.292 38.000 -0.181 0.000 1.065 83 I HN 0.190 nan 8.210 nan 0.000 0.418 84 N N 0.368 118.933 118.700 -0.224 0.000 2.188 84 N HA -0.111 4.628 4.740 -0.001 0.000 0.184 84 N C 1.886 177.232 175.510 -0.273 0.000 1.018 84 N CA 1.031 53.950 53.050 -0.217 0.000 0.858 84 N CB -0.330 38.047 38.487 -0.184 0.000 0.989 84 N HN 0.156 nan 8.380 nan 0.000 0.426 85 V N 0.513 120.201 119.914 -0.376 0.000 2.270 85 V HA -0.145 3.975 4.120 -0.001 0.000 0.245 85 V C 2.414 178.379 176.094 -0.214 0.000 1.043 85 V CA 1.068 63.180 62.300 -0.315 0.000 1.014 85 V CB -0.480 31.141 31.823 -0.337 0.000 0.645 85 V HN 0.035 nan 8.190 nan 0.000 0.447 86 V N -0.307 119.436 119.914 -0.285 0.000 2.255 86 V HA -0.296 3.823 4.120 -0.001 0.000 0.247 86 V C 2.696 178.703 176.094 -0.145 0.000 1.051 86 V CA 2.473 64.644 62.300 -0.215 0.000 1.018 86 V CB -0.837 30.755 31.823 -0.384 0.000 0.641 86 V HN 0.625 nan 8.190 nan 0.000 0.445 87 S N 0.554 116.147 115.700 -0.178 0.000 2.407 87 S HA -0.243 4.227 4.470 -0.001 0.000 0.235 87 S C 2.075 176.622 174.600 -0.089 0.000 1.036 87 S CA 2.232 60.359 58.200 -0.121 0.000 1.013 87 S CB -0.400 62.724 63.200 -0.126 0.000 0.820 87 S HN 0.852 nan 8.310 nan 0.000 0.476 88 S N 0.068 115.709 115.700 -0.099 0.000 2.558 88 S HA 0.269 4.739 4.470 -0.001 0.000 0.217 88 S C 0.573 175.142 174.600 -0.051 0.000 0.975 88 S CA -0.325 57.832 58.200 -0.072 0.000 0.912 88 S CB -0.507 62.643 63.200 -0.083 0.000 0.776 88 S HN 0.455 nan 8.310 nan 0.000 0.526 89 L N 2.463 123.658 121.223 -0.047 0.000 2.456 89 L HA 0.245 4.584 4.340 -0.001 0.000 0.272 89 L C -0.956 175.904 176.870 -0.017 0.000 1.189 89 L CA -1.543 53.281 54.840 -0.027 0.000 0.846 89 L CB 0.447 42.498 42.059 -0.013 0.000 1.111 89 L HN 0.083 nan 8.230 nan 0.000 0.475 90 P HA -0.042 nan 4.420 nan 0.000 0.220 90 P C 0.364 177.661 177.300 -0.005 0.000 1.154 90 P CA 0.349 63.443 63.100 -0.010 0.000 0.830 90 P CB 0.246 31.941 31.700 -0.009 0.000 0.803 91 D N -0.880 119.519 120.400 -0.002 0.000 2.383 91 D HA 0.150 4.790 4.640 -0.001 0.000 0.248 91 D C 1.786 178.090 176.300 0.006 0.000 1.170 91 D CA 0.083 54.083 54.000 0.001 0.000 0.977 91 D CB 1.692 42.493 40.800 0.002 0.000 1.120 91 D HN -0.052 nan 8.370 nan 0.000 0.481 92 V N -1.137 118.781 119.914 0.006 0.000 2.719 92 V HA 0.146 4.265 4.120 -0.001 0.000 0.252 92 V C 1.024 177.128 176.094 0.017 0.000 1.065 92 V CA 1.552 63.858 62.300 0.010 0.000 1.086 92 V CB -0.732 31.095 31.823 0.006 0.000 0.700 92 V HN 0.708 nan 8.190 nan 0.000 0.467 93 T N -0.540 114.022 114.554 0.014 0.000 2.950 93 T HA 0.710 5.059 4.350 -0.001 0.000 0.288 93 T C -1.018 173.692 174.700 0.017 0.000 1.035 93 T CA -0.630 61.479 62.100 0.016 0.000 1.028 93 T CB 2.162 71.035 68.868 0.009 0.000 1.109 93 T HN 0.531 nan 8.240 nan 0.000 0.514 94 L N 1.246 122.477 121.223 0.013 0.000 2.431 94 L HA 0.746 5.085 4.340 -0.001 0.000 0.266 94 L C -1.504 175.354 176.870 -0.021 0.000 0.978 94 L CA -0.473 54.374 54.840 0.012 0.000 0.822 94 L CB 2.042 44.130 42.059 0.049 0.000 1.310 94 L HN 0.925 nan 8.230 nan 0.000 0.409 95 D N 3.070 123.456 120.400 -0.023 0.000 2.233 95 D HA 0.393 5.033 4.640 -0.001 0.000 0.240 95 D C -1.640 174.597 176.300 -0.105 0.000 1.074 95 D CA -0.010 53.969 54.000 -0.035 0.000 0.838 95 D CB 0.920 41.734 40.800 0.024 0.000 1.124 95 D HN 0.427 nan 8.370 nan 0.000 0.475 96 F N 4.135 123.801 119.950 -0.474 0.000 2.366 96 F HA 0.390 4.916 4.527 -0.002 0.000 0.366 96 F C -0.823 174.625 175.800 -0.587 0.000 1.096 96 F CA -0.840 56.794 58.000 -0.610 0.000 1.060 96 F CB 0.743 38.994 39.000 -1.248 0.000 1.282 96 F HN 0.156 nan 8.300 nan 0.000 0.450 97 K N 5.698 125.798 120.400 -0.500 0.000 2.413 97 K HA 0.246 4.566 4.320 -0.001 0.000 0.257 97 K C -0.718 175.659 176.600 -0.373 0.000 0.946 97 K CA -0.596 55.332 56.287 -0.598 0.000 0.823 97 K CB 1.308 33.330 32.500 -0.796 0.000 1.109 97 K HN 0.751 nan 8.250 nan 0.000 0.427 98 E N 5.503 125.593 120.200 -0.185 0.000 2.338 98 E HA 0.202 4.551 4.350 -0.001 0.000 0.272 98 E C -0.238 176.301 176.600 -0.103 0.000 1.029 98 E CA -0.451 55.884 56.400 -0.108 0.000 0.872 98 E CB 0.607 30.319 29.700 0.020 0.000 1.015 98 E HN 0.588 nan 8.360 nan 0.000 0.417 99 I N 0.097 120.610 120.570 -0.095 0.000 3.516 99 I HA 0.399 4.568 4.170 -0.001 0.000 0.297 99 I C -0.143 175.950 176.117 -0.041 0.000 1.139 99 I CA -1.271 59.990 61.300 -0.065 0.000 1.020 99 I CB 1.084 39.038 38.000 -0.077 0.000 1.341 99 I HN 0.448 nan 8.210 nan 0.000 0.490 100 E N 1.336 121.517 120.200 -0.031 0.000 2.534 100 E HA -0.145 4.205 4.350 -0.001 0.000 0.264 100 E C -0.694 175.892 176.600 -0.024 0.000 0.981 100 E CA 0.261 56.648 56.400 -0.021 0.000 0.948 100 E CB 0.205 29.895 29.700 -0.017 0.000 0.934 100 E HN 0.745 nan 8.360 nan 0.000 0.459 101 Q N 1.609 121.400 119.800 -0.016 0.000 2.481 101 Q HA -0.222 4.117 4.340 -0.001 0.000 0.283 101 Q C -0.680 175.309 176.000 -0.018 0.000 1.292 101 Q CA 0.644 56.438 55.803 -0.014 0.000 0.819 101 Q CB -1.681 27.048 28.738 -0.015 0.000 1.202 101 Q HN 0.829 nan 8.270 nan 0.000 0.446 102 N N -0.556 118.134 118.700 -0.016 0.000 2.727 102 N HA -0.212 4.527 4.740 -0.001 0.000 0.249 102 N C -0.609 174.877 175.510 -0.040 0.000 1.048 102 N CA 1.505 54.544 53.050 -0.018 0.000 0.714 102 N CB -0.610 37.872 38.487 -0.008 0.000 0.959 102 N HN 0.609 nan 8.380 nan 0.000 0.544 103 Q N -0.002 119.763 119.800 -0.057 0.000 2.235 103 Q HA 0.623 4.962 4.340 -0.001 0.000 0.256 103 Q C 0.027 175.939 176.000 -0.147 0.000 0.951 103 Q CA -0.524 55.227 55.803 -0.087 0.000 0.890 103 Q CB 1.724 30.418 28.738 -0.072 0.000 1.279 103 Q HN 0.136 nan 8.270 nan 0.000 0.444 104 I N 2.317 122.756 120.570 -0.219 0.000 2.389 104 I HA 0.268 4.437 4.170 -0.001 0.000 0.288 104 I C -0.518 175.393 176.117 -0.343 0.000 0.999 104 I CA -0.750 60.308 61.300 -0.404 0.000 1.129 104 I CB 1.640 39.234 38.000 -0.677 0.000 1.288 104 I HN 0.361 nan 8.210 nan 0.000 0.444 105 V N 7.401 127.113 119.914 -0.336 0.000 2.385 105 V HA 0.324 4.444 4.120 -0.001 0.000 0.269 105 V C 0.292 176.210 176.094 -0.292 0.000 1.043 105 V CA -0.491 61.661 62.300 -0.246 0.000 0.906 105 V CB 1.192 32.901 31.823 -0.192 0.000 0.995 105 V HN 0.406 nan 8.190 nan 0.000 0.467 106 L N 5.177 126.284 121.223 -0.193 0.000 2.265 106 L HA 0.536 4.875 4.340 -0.001 0.000 0.289 106 L C 0.167 176.994 176.870 -0.072 0.000 1.033 106 L CA -0.030 54.734 54.840 -0.127 0.000 0.814 106 L CB 1.486 43.528 42.059 -0.029 0.000 1.203 106 L HN 0.587 nan 8.230 nan 0.000 0.423 107 T N 1.200 115.718 114.554 -0.061 0.000 2.792 107 T HA 0.381 4.730 4.350 -0.001 0.000 0.280 107 T C -0.284 174.407 174.700 -0.015 0.000 0.990 107 T CA -0.543 61.537 62.100 -0.035 0.000 0.960 107 T CB 1.587 70.436 68.868 -0.032 0.000 0.939 107 T HN 0.444 nan 8.240 nan 0.000 0.439 108 S N 2.650 118.344 115.700 -0.009 0.000 2.620 108 S HA 0.603 5.072 4.470 -0.001 0.000 0.244 108 S C 0.701 175.298 174.600 -0.004 0.000 1.192 108 S CA 0.390 58.588 58.200 -0.002 0.000 1.148 108 S CB -0.317 62.884 63.200 0.002 0.000 1.106 108 S HN 1.314 nan 8.310 nan 0.000 0.474 109 G N 4.971 113.769 108.800 -0.003 0.000 2.556 109 G HA2 -0.282 3.677 3.960 -0.001 0.000 0.283 109 G HA3 -0.282 3.677 3.960 -0.001 0.000 0.283 109 G C 0.391 175.288 174.900 -0.005 0.000 1.177 109 G CA 0.482 45.580 45.100 -0.004 0.000 0.978 109 G HN 0.676 nan 8.290 nan 0.000 0.554 110 K N 0.570 120.967 120.400 -0.005 0.000 2.444 110 K HA 0.359 4.679 4.320 -0.001 0.000 0.193 110 K C 0.938 177.533 176.600 -0.008 0.000 1.024 110 K CA 0.724 57.007 56.287 -0.006 0.000 1.077 110 K CB 0.295 32.792 32.500 -0.005 0.000 0.833 110 K HN 0.355 nan 8.250 nan 0.000 0.517 111 S N 1.558 117.252 115.700 -0.009 0.000 2.433 111 S HA 0.140 4.610 4.470 -0.001 0.000 0.310 111 S C -1.079 173.512 174.600 -0.015 0.000 1.097 111 S CA -0.695 57.498 58.200 -0.011 0.000 1.103 111 S CB 0.957 64.151 63.200 -0.011 0.000 0.992 111 S HN 0.198 nan 8.310 nan 0.000 0.469 112 E N 5.368 125.558 120.200 -0.017 0.000 2.191 112 E HA 0.472 4.821 4.350 -0.001 0.000 0.263 112 E C -1.312 175.274 176.600 -0.023 0.000 0.881 112 E CA -0.530 55.855 56.400 -0.025 0.000 0.757 112 E CB 0.879 30.563 29.700 -0.027 0.000 1.147 112 E HN 0.682 nan 8.360 nan 0.000 0.414 113 I N 3.623 124.176 120.570 -0.028 0.000 2.447 113 I HA 0.231 4.400 4.170 -0.001 0.000 0.287 113 I C -0.483 175.616 176.117 -0.031 0.000 1.023 113 I CA -0.667 60.623 61.300 -0.015 0.000 1.083 113 I CB 2.239 40.236 38.000 -0.006 0.000 1.245 113 I HN 0.377 nan 8.210 nan 0.000 0.434 114 T N 7.198 121.739 114.554 -0.022 0.000 2.795 114 T HA 0.646 4.995 4.350 -0.001 0.000 0.282 114 T C -0.246 174.452 174.700 -0.004 0.000 0.980 114 T CA -0.424 61.649 62.100 -0.044 0.000 1.012 114 T CB 1.169 70.011 68.868 -0.043 0.000 0.936 114 T HN 0.281 nan 8.240 nan 0.000 0.457 115 L N 2.583 123.790 121.223 -0.027 0.000 2.365 115 L HA 0.561 4.900 4.340 -0.001 0.000 0.273 115 L C -0.115 176.743 176.870 -0.020 0.000 1.000 115 L CA -1.342 53.515 54.840 0.029 0.000 0.819 115 L CB 2.038 44.143 42.059 0.076 0.000 1.284 115 L HN 0.376 nan 8.230 nan 0.000 0.418 116 K N 1.647 122.048 120.400 0.002 0.000 2.349 116 K HA 0.512 4.832 4.320 -0.001 0.000 0.288 116 K C 0.009 176.597 176.600 -0.020 0.000 1.058 116 K CA 0.056 56.332 56.287 -0.019 0.000 0.953 116 K CB 1.027 33.517 32.500 -0.018 0.000 0.997 116 K HN 0.674 nan 8.250 nan 0.000 0.477 117 G N 3.006 111.786 108.800 -0.034 0.000 3.107 117 G HA2 0.562 4.521 3.960 -0.001 0.000 0.232 117 G HA3 0.562 4.521 3.960 -0.001 0.000 0.232 117 G C -1.131 173.763 174.900 -0.011 0.000 1.339 117 G CA -0.680 44.402 45.100 -0.030 0.000 1.033 117 G HN 0.508 nan 8.290 nan 0.000 0.567 118 K N -0.462 119.939 120.400 0.001 0.000 2.477 118 K HA 0.323 4.643 4.320 -0.001 0.000 0.255 118 K C -1.452 175.161 176.600 0.023 0.000 0.952 118 K CA -0.695 55.602 56.287 0.015 0.000 0.826 118 K CB 2.586 35.104 32.500 0.030 0.000 1.331 118 K HN 0.547 nan 8.250 nan 0.000 0.437 119 D N 0.308 120.723 120.400 0.025 0.000 2.472 119 D HA -0.053 4.586 4.640 -0.001 0.000 0.237 119 D C 0.665 176.993 176.300 0.046 0.000 1.141 119 D CA 0.427 54.445 54.000 0.030 0.000 0.875 119 D CB 0.853 41.669 40.800 0.026 0.000 1.192 119 D HN 0.458 nan 8.370 nan 0.000 0.450 120 S N 1.771 117.498 115.700 0.046 0.000 2.575 120 S HA 0.006 4.475 4.470 -0.001 0.000 0.215 120 S C 1.427 176.078 174.600 0.085 0.000 0.966 120 S CA -0.173 58.065 58.200 0.063 0.000 0.911 120 S CB 0.101 63.316 63.200 0.025 0.000 0.780 120 S HN 0.495 nan 8.310 nan 0.000 0.514 121 E N 2.524 122.761 120.200 0.062 0.000 2.268 121 E HA -0.149 4.200 4.350 -0.001 0.000 0.195 121 E C 2.243 178.880 176.600 0.063 0.000 0.995 121 E CA 1.267 57.700 56.400 0.055 0.000 0.836 121 E CB -0.240 29.481 29.700 0.035 0.000 0.763 121 E HN 0.920 nan 8.360 nan 0.000 0.491 122 Q N -1.170 118.673 119.800 0.071 0.000 2.432 122 Q HA -0.096 4.243 4.340 -0.001 0.000 0.205 122 Q C 0.089 176.126 176.000 0.061 0.000 0.945 122 Q CA 0.070 55.904 55.803 0.052 0.000 0.924 122 Q CB -0.224 28.538 28.738 0.040 0.000 1.016 122 Q HN 0.285 nan 8.270 nan 0.000 0.503 123 Y N 3.775 124.074 120.300 -0.002 0.000 2.425 123 Y HA 0.219 4.769 4.550 -0.001 0.000 0.331 123 Y C -2.105 173.788 175.900 -0.012 0.000 1.157 123 Y CA -2.230 55.867 58.100 -0.004 0.000 1.372 123 Y CB 0.731 39.192 38.460 0.002 0.000 1.253 123 Y HN 0.123 nan 8.280 nan 0.000 0.536 124 P HA 0.304 nan 4.420 nan 0.000 0.282 124 P C -0.875 176.422 177.300 -0.005 0.000 1.249 124 P CA -0.393 62.615 63.100 -0.154 0.000 0.806 124 P CB 0.623 32.176 31.700 -0.244 0.000 0.984 125 R N 2.667 123.170 120.500 0.005 0.000 2.543 125 R HA 0.259 4.598 4.340 -0.001 0.000 0.277 125 R C 0.499 176.773 176.300 -0.044 0.000 1.074 125 R CA -0.373 55.736 56.100 0.015 0.000 1.076 125 R CB -0.627 29.666 30.300 -0.012 0.000 0.993 125 R HN 0.473 nan 8.270 nan 0.000 0.459 126 I N 2.154 122.684 120.570 -0.066 0.000 2.496 126 I HA 0.121 4.290 4.170 -0.001 0.000 0.285 126 I C 0.957 176.922 176.117 -0.253 0.000 1.080 126 I CA -0.417 60.758 61.300 -0.208 0.000 1.404 126 I CB 1.101 38.925 38.000 -0.293 0.000 1.403 126 I HN 0.784 nan 8.210 nan 0.000 0.539 127 Q N 4.443 124.070 119.800 -0.287 0.000 2.293 127 Q HA 0.286 4.626 4.340 -0.001 0.000 0.263 127 Q C 0.184 176.040 176.000 -0.239 0.000 1.002 127 Q CA -0.267 55.413 55.803 -0.205 0.000 0.910 127 Q CB 0.670 29.322 28.738 -0.143 0.000 1.185 127 Q HN 0.768 nan 8.270 nan 0.000 0.401 128 E N 2.891 123.015 120.200 -0.128 0.000 2.384 128 E HA 0.183 4.533 4.350 -0.001 0.000 0.266 128 E C -0.433 176.164 176.600 -0.005 0.000 1.012 128 E CA -0.172 56.199 56.400 -0.049 0.000 0.901 128 E CB 0.613 30.289 29.700 -0.040 0.000 0.967 128 E HN 0.560 nan 8.360 nan 0.000 0.435 129 I N 1.774 122.383 120.570 0.065 0.000 2.575 129 I HA 0.527 4.697 4.170 -0.001 0.000 0.285 129 I C 1.560 177.663 176.117 -0.023 0.000 1.085 129 I CA -0.152 61.168 61.300 0.033 0.000 1.403 129 I CB 0.319 38.345 38.000 0.043 0.000 1.409 129 I HN 1.038 nan 8.210 nan 0.000 0.557 130 S N 3.948 119.648 115.700 -0.001 0.000 2.563 130 S HA 0.530 4.999 4.470 -0.001 0.000 0.284 130 S C 0.806 175.400 174.600 -0.011 0.000 1.331 130 S CA 0.038 58.236 58.200 -0.003 0.000 1.047 130 S CB 0.099 63.311 63.200 0.019 0.000 0.859 130 S HN 1.595 nan 8.310 nan 0.000 0.514 131 A N 2.142 124.952 122.820 -0.016 0.000 2.567 131 A HA 0.526 4.845 4.320 -0.001 0.000 0.240 131 A C 0.849 178.461 177.584 0.047 0.000 1.053 131 A CA 0.730 52.761 52.037 -0.011 0.000 0.755 131 A CB -0.765 18.231 19.000 -0.007 0.000 0.978 131 A HN 2.240 nan 8.150 nan 0.000 0.507 132 S N 0.814 116.574 115.700 0.100 0.000 2.595 132 S HA 0.671 5.140 4.470 -0.001 0.000 0.270 132 S C -0.439 174.321 174.600 0.266 0.000 1.145 132 S CA -0.142 58.163 58.200 0.176 0.000 0.825 132 S CB 0.696 64.025 63.200 0.214 0.000 1.107 132 S HN 1.812 nan 8.310 nan 0.000 0.461 133 T N 0.475 115.132 114.554 0.171 0.000 2.889 133 T HA 0.732 5.082 4.350 -0.001 0.000 0.291 133 T C -2.386 172.309 174.700 -0.008 0.000 0.995 133 T CA -1.252 60.916 62.100 0.114 0.000 1.092 133 T CB 0.561 69.459 68.868 0.050 0.000 0.954 133 T HN 0.643 nan 8.240 nan 0.000 0.506 134 P HA 0.441 nan 4.420 nan 0.000 0.278 134 P C -1.174 175.936 177.300 -0.317 0.000 1.258 134 P CA -0.905 61.830 63.100 -0.608 0.000 0.811 134 P CB 0.935 32.258 31.700 -0.627 0.000 1.063 135 L N 1.869 122.879 121.223 -0.355 0.000 2.296 135 L HA 0.502 4.842 4.340 -0.001 0.000 0.286 135 L C -0.768 175.990 176.870 -0.186 0.000 1.023 135 L CA -0.576 54.172 54.840 -0.155 0.000 0.812 135 L CB 0.469 42.517 42.059 -0.019 0.000 1.223 135 L HN 0.224 nan 8.230 nan 0.000 0.421 136 I N 6.459 126.970 120.570 -0.099 0.000 2.339 136 I HA 0.405 4.574 4.170 -0.001 0.000 0.290 136 I C -0.765 175.332 176.117 -0.033 0.000 0.994 136 I CA -0.383 60.868 61.300 -0.081 0.000 1.191 136 I CB 1.249 39.214 38.000 -0.059 0.000 1.343 136 I HN 0.513 nan 8.210 nan 0.000 0.458 137 L N 4.521 125.727 121.223 -0.028 0.000 2.370 137 L HA 0.391 4.730 4.340 -0.001 0.000 0.266 137 L C 0.096 176.967 176.870 0.002 0.000 1.002 137 L CA -0.952 53.890 54.840 0.003 0.000 0.818 137 L CB 2.125 44.197 42.059 0.022 0.000 1.325 137 L HN 0.336 nan 8.230 nan 0.000 0.418 138 E N 0.143 120.349 120.200 0.010 0.000 2.414 138 E HA -0.021 4.328 4.350 -0.001 0.000 0.263 138 E C 0.771 177.386 176.600 0.025 0.000 1.000 138 E CA 0.108 56.515 56.400 0.012 0.000 0.914 138 E CB 1.386 31.093 29.700 0.013 0.000 0.948 138 E HN 0.696 nan 8.360 nan 0.000 0.444 139 T N 2.807 117.380 114.554 0.031 0.000 2.720 139 T HA -0.240 4.110 4.350 -0.001 0.000 0.268 139 T C 1.931 176.680 174.700 0.083 0.000 1.037 139 T CA 1.845 63.989 62.100 0.075 0.000 1.144 139 T CB -0.151 68.738 68.868 0.035 0.000 0.864 139 T HN 0.656 nan 8.240 nan 0.000 0.444 140 K N 1.328 121.755 120.400 0.045 0.000 2.211 140 K HA 0.048 4.367 4.320 -0.001 0.000 0.203 140 K C 2.344 178.960 176.600 0.026 0.000 1.050 140 K CA 0.933 57.242 56.287 0.036 0.000 0.945 140 K CB -0.514 31.998 32.500 0.020 0.000 0.732 140 K HN 0.312 nan 8.250 nan 0.000 0.451 141 L N 1.121 122.357 121.223 0.022 0.000 2.017 141 L HA -0.116 4.223 4.340 -0.001 0.000 0.208 141 L C 2.296 179.174 176.870 0.014 0.000 1.073 141 L CA 1.131 55.979 54.840 0.013 0.000 0.745 141 L CB -0.122 41.947 42.059 0.017 0.000 0.894 141 L HN 0.232 nan 8.230 nan 0.000 0.432 142 L N -0.462 120.770 121.223 0.016 0.000 2.027 142 L HA -0.205 4.135 4.340 -0.001 0.000 0.206 142 L C 2.692 179.561 176.870 -0.002 0.000 1.074 142 L CA 1.285 56.108 54.840 -0.028 0.000 0.745 142 L CB -0.456 41.475 42.059 -0.214 0.000 0.898 142 L HN 0.209 nan 8.230 nan 0.000 0.433 143 K N 0.079 120.523 120.400 0.072 0.000 2.074 143 K HA -0.280 4.039 4.320 -0.001 0.000 0.209 143 K C 2.151 178.772 176.600 0.035 0.000 1.048 143 K CA 1.614 57.954 56.287 0.088 0.000 0.926 143 K CB -0.147 32.409 32.500 0.093 0.000 0.713 143 K HN 0.206 nan 8.250 nan 0.000 0.444 144 K N 1.224 121.627 120.400 0.006 0.000 2.025 144 K HA -0.111 4.208 4.320 -0.001 0.000 0.207 144 K C 2.119 178.674 176.600 -0.075 0.000 1.049 144 K CA 1.087 57.352 56.287 -0.036 0.000 0.933 144 K CB -0.090 32.381 32.500 -0.048 0.000 0.714 144 K HN 0.021 nan 8.250 nan 0.000 0.438 145 I N 1.241 121.772 120.570 -0.064 0.000 2.151 145 I HA -0.350 3.819 4.170 -0.001 0.000 0.243 145 I C 2.239 178.331 176.117 -0.042 0.000 1.080 145 I CA 1.462 62.709 61.300 -0.089 0.000 1.339 145 I CB -0.225 37.754 38.000 -0.036 0.000 1.039 145 I HN 0.218 nan 8.210 nan 0.000 0.409 146 I N 0.506 121.091 120.570 0.025 0.000 2.179 146 I HA -0.306 3.863 4.170 -0.001 0.000 0.242 146 I C 2.149 178.320 176.117 0.091 0.000 1.088 146 I CA 1.315 62.657 61.300 0.070 0.000 1.357 146 I CB -0.558 37.491 38.000 0.081 0.000 1.051 146 I HN 0.308 nan 8.210 nan 0.000 0.409 147 N N 0.719 119.461 118.700 0.071 0.000 2.309 147 N HA -0.168 4.571 4.740 -0.001 0.000 0.182 147 N C 1.625 177.235 175.510 0.167 0.000 1.018 147 N CA 1.155 54.268 53.050 0.105 0.000 0.876 147 N CB -0.170 38.346 38.487 0.047 0.000 0.972 147 N HN 0.489 nan 8.380 nan 0.000 0.434 148 E N -0.753 119.471 120.200 0.040 0.000 2.358 148 E HA -0.044 4.306 4.350 -0.001 0.000 0.195 148 E C 1.336 178.050 176.600 0.189 0.000 1.010 148 E CA 1.150 57.549 56.400 -0.001 0.000 0.856 148 E CB 0.277 29.641 29.700 -0.561 0.000 0.795 148 E HN 0.516 nan 8.360 nan 0.000 0.504 149 T N -4.204 110.390 114.554 0.068 0.000 3.098 149 T HA 0.285 4.635 4.350 -0.001 0.000 0.256 149 T C 1.961 176.526 174.700 -0.225 0.000 0.921 149 T CA 0.246 62.258 62.100 -0.146 0.000 0.916 149 T CB -0.039 68.745 68.868 -0.141 0.000 1.246 149 T HN 0.051 nan 8.240 nan 0.000 0.511 150 A N 1.949 124.769 122.820 -0.001 0.000 1.978 150 A HA 0.106 4.426 4.320 -0.001 0.000 0.220 150 A C 1.924 179.531 177.584 0.039 0.000 1.170 150 A CA 1.716 53.779 52.037 0.044 0.000 0.636 150 A CB -1.305 17.771 19.000 0.126 0.000 0.810 150 A HN 0.815 nan 8.150 nan 0.000 0.448 151 F N -0.629 119.362 119.950 0.068 0.000 2.365 151 F HA 0.184 4.710 4.527 -0.001 0.000 0.300 151 F C 1.969 177.805 175.800 0.060 0.000 1.090 151 F CA 0.650 58.691 58.000 0.069 0.000 1.408 151 F CB -0.641 38.400 39.000 0.069 0.000 1.060 151 F HN 0.145 nan 8.300 nan 0.000 0.534 152 A N 1.015 123.331 122.820 -0.839 0.000 2.119 152 A HA 0.482 4.802 4.320 -0.001 0.000 0.216 152 A C 1.698 179.164 177.584 -0.195 0.000 1.152 152 A CA 0.372 52.080 52.037 -0.549 0.000 0.708 152 A CB -1.184 17.421 19.000 -0.660 0.000 0.805 152 A HN 0.510 nan 8.150 nan 0.000 0.460 153 A N -0.066 122.689 122.820 -0.108 0.000 2.466 153 A HA 0.461 4.780 4.320 -0.001 0.000 0.238 153 A C 0.813 178.419 177.584 0.037 0.000 1.074 153 A CA 0.425 52.464 52.037 0.004 0.000 0.774 153 A CB -0.058 18.972 19.000 0.051 0.000 1.015 153 A HN 0.432 nan 8.150 nan 0.000 0.498 154 S N -1.050 114.681 115.700 0.052 0.000 2.600 154 S HA 0.358 4.827 4.470 -0.001 0.000 0.265 154 S C 1.326 175.972 174.600 0.077 0.000 1.325 154 S CA 0.257 58.497 58.200 0.067 0.000 1.002 154 S CB 0.383 63.617 63.200 0.057 0.000 0.921 154 S HN 1.183 nan 8.310 nan 0.000 0.554 155 T N 0.356 114.958 114.554 0.081 0.000 3.040 155 T HA 0.272 4.621 4.350 -0.001 0.000 0.266 155 T C -0.005 174.734 174.700 0.066 0.000 1.005 155 T CA -0.348 61.798 62.100 0.076 0.000 0.906 155 T CB 0.082 68.998 68.868 0.081 0.000 1.082 155 T HN 0.543 nan 8.240 nan 0.000 0.531 156 Q N 1.924 121.763 119.800 0.065 0.000 2.293 156 Q HA 0.221 4.560 4.340 -0.001 0.000 0.263 156 Q C 0.374 176.402 176.000 0.047 0.000 1.002 156 Q CA -0.093 55.744 55.803 0.056 0.000 0.910 156 Q CB 1.276 30.050 28.738 0.060 0.000 1.185 156 Q HN 0.314 nan 8.270 nan 0.000 0.401 157 E N 1.064 121.289 120.200 0.042 0.000 2.516 157 E HA -0.071 4.279 4.350 -0.001 0.000 0.199 157 E C 1.449 178.066 176.600 0.029 0.000 1.069 157 E CA 0.422 56.844 56.400 0.037 0.000 0.876 157 E CB 0.258 29.979 29.700 0.035 0.000 0.843 157 E HN 0.617 nan 8.360 nan 0.000 0.530 158 S N -0.270 115.446 115.700 0.026 0.000 2.470 158 S HA 0.067 4.536 4.470 -0.001 0.000 0.225 158 S C 1.285 175.891 174.600 0.010 0.000 1.006 158 S CA 0.038 58.249 58.200 0.018 0.000 0.934 158 S CB 0.180 63.392 63.200 0.020 0.000 0.778 158 S HN 0.016 nan 8.310 nan 0.000 0.517 159 R N 1.866 122.370 120.500 0.007 0.000 2.860 159 R HA 0.316 4.656 4.340 -0.001 0.000 0.282 159 R C -2.128 174.173 176.300 0.002 0.000 1.408 159 R CA -1.978 54.117 56.100 -0.009 0.000 1.636 159 R CB 0.975 31.256 30.300 -0.033 0.000 1.187 159 R HN 0.300 nan 8.270 nan 0.000 0.611 160 P HA -0.213 nan 4.420 nan 0.000 0.216 160 P C 1.217 178.548 177.300 0.052 0.000 1.150 160 P CA 1.057 64.179 63.100 0.037 0.000 0.843 160 P CB 0.344 32.066 31.700 0.037 0.000 0.787 161 I N -0.668 119.926 120.570 0.040 0.000 2.335 161 I HA -0.193 3.976 4.170 -0.001 0.000 0.251 161 I C 2.229 178.408 176.117 0.103 0.000 1.129 161 I CA 1.189 62.535 61.300 0.077 0.000 1.402 161 I CB -0.511 37.510 38.000 0.036 0.000 1.069 161 I HN -0.198 nan 8.210 nan 0.000 0.424 162 L N -0.288 120.942 121.223 0.011 0.000 2.376 162 L HA -0.098 4.241 4.340 -0.001 0.000 0.219 162 L C 2.162 179.092 176.870 0.100 0.000 1.133 162 L CA 1.314 56.165 54.840 0.019 0.000 0.816 162 L CB -1.137 40.885 42.059 -0.062 0.000 0.933 162 L HN 0.406 nan 8.230 nan 0.000 0.449 163 T N -3.127 111.486 114.554 0.097 0.000 3.160 163 T HA 0.130 4.479 4.350 -0.001 0.000 0.257 163 T C 0.889 175.667 174.700 0.129 0.000 1.147 163 T CA 0.276 62.436 62.100 0.101 0.000 1.064 163 T CB -0.160 68.760 68.868 0.086 0.000 0.949 163 T HN 0.266 nan 8.240 nan 0.000 0.526 164 G N 0.287 109.190 108.800 0.172 0.000 2.667 164 G HA2 0.594 4.554 3.960 -0.001 0.000 0.310 164 G HA3 0.594 4.554 3.960 -0.001 0.000 0.310 164 G C -1.267 173.749 174.900 0.193 0.000 1.259 164 G CA -0.767 44.444 45.100 0.184 0.000 1.019 164 G HN 0.257 nan 8.290 nan 0.000 0.496 165 V N 0.291 120.320 119.914 0.191 0.000 2.435 165 V HA 0.300 4.420 4.120 -0.001 0.000 0.290 165 V C -0.166 176.031 176.094 0.172 0.000 1.030 165 V CA -0.734 61.656 62.300 0.151 0.000 0.881 165 V CB 1.345 33.293 31.823 0.209 0.000 0.983 165 V HN 0.786 nan 8.190 nan 0.000 0.445 166 H N 4.451 123.356 119.070 -0.274 0.000 2.604 166 H HA 0.430 4.985 4.556 -0.001 0.000 0.306 166 H C -1.615 173.617 175.328 -0.161 0.000 1.075 166 H CA -0.556 55.263 56.048 -0.382 0.000 1.357 166 H CB 0.633 29.730 29.762 -1.108 0.000 1.426 166 H HN 0.500 nan 8.280 nan 0.000 0.470 167 F N 4.604 124.432 119.950 -0.203 0.000 2.426 167 F HA 0.293 4.819 4.527 -0.001 0.000 0.348 167 F C -0.561 175.091 175.800 -0.245 0.000 1.124 167 F CA -0.620 57.304 58.000 -0.127 0.000 1.008 167 F CB 1.701 40.812 39.000 0.185 0.000 1.139 167 F HN 0.226 nan 8.300 nan 0.000 0.452 168 V N 5.294 125.042 119.914 -0.276 0.000 2.525 168 V HA 0.374 4.494 4.120 -0.001 0.000 0.299 168 V C -0.936 174.861 176.094 -0.495 0.000 1.034 168 V CA -0.772 61.292 62.300 -0.394 0.000 0.863 168 V CB 1.941 33.522 31.823 -0.403 0.000 0.999 168 V HN 0.490 nan 8.190 nan 0.000 0.423 169 L N 5.573 126.275 121.223 -0.868 0.000 2.264 169 L HA 0.772 5.111 4.340 -0.001 0.000 0.289 169 L C 0.342 176.925 176.870 -0.477 0.000 1.044 169 L CA 0.633 55.030 54.840 -0.740 0.000 0.807 169 L CB 1.474 42.861 42.059 -1.120 0.000 1.192 169 L HN 0.870 nan 8.230 nan 0.000 0.425 170 S N 2.681 118.190 115.700 -0.319 0.000 2.599 170 S HA 0.545 5.015 4.470 -0.001 0.000 0.294 170 S C -0.235 174.219 174.600 -0.243 0.000 1.094 170 S CA -0.621 57.421 58.200 -0.263 0.000 0.931 170 S CB 1.671 64.749 63.200 -0.203 0.000 1.093 170 S HN 0.647 nan 8.310 nan 0.000 0.488 171 Q N 0.478 120.095 119.800 -0.305 0.000 2.461 171 Q HA -0.289 4.050 4.340 -0.001 0.000 0.273 171 Q C -0.111 175.745 176.000 -0.240 0.000 1.163 171 Q CA 1.161 56.777 55.803 -0.310 0.000 0.929 171 Q CB -2.519 26.122 28.738 -0.161 0.000 1.334 171 Q HN 1.072 nan 8.270 nan 0.000 0.499 172 H N -4.211 114.805 119.070 -0.091 0.000 3.904 172 H HA -0.288 4.267 4.556 -0.001 0.000 0.189 172 H C 0.995 176.282 175.328 -0.069 0.000 0.960 172 H CA 1.936 57.938 56.048 -0.076 0.000 1.226 172 H CB -1.176 28.558 29.762 -0.047 0.000 1.078 172 H HN 0.503 nan 8.280 nan 0.000 0.347 173 K N -0.988 119.415 120.400 0.004 0.000 2.585 173 K HA 0.334 4.653 4.320 -0.001 0.000 0.210 173 K C -0.223 176.348 176.600 -0.048 0.000 1.294 173 K CA 0.279 56.562 56.287 -0.008 0.000 1.025 173 K CB 0.952 33.458 32.500 0.011 0.000 1.076 173 K HN 0.154 nan 8.250 nan 0.000 0.613 174 E N 1.363 121.506 120.200 -0.094 0.000 2.063 174 E HA 0.486 4.835 4.350 -0.001 0.000 0.265 174 E C -1.467 175.045 176.600 -0.146 0.000 0.919 174 E CA -0.872 55.466 56.400 -0.104 0.000 0.756 174 E CB 1.118 30.754 29.700 -0.106 0.000 1.120 174 E HN 0.327 nan 8.360 nan 0.000 0.414 175 L N 4.120 125.273 121.223 -0.117 0.000 2.257 175 L HA 0.422 4.761 4.340 -0.001 0.000 0.290 175 L C -0.639 176.140 176.870 -0.151 0.000 1.044 175 L CA -0.129 54.631 54.840 -0.133 0.000 0.810 175 L CB 0.687 42.719 42.059 -0.045 0.000 1.193 175 L HN 0.273 nan 8.230 nan 0.000 0.425 176 K N 3.137 123.412 120.400 -0.209 0.000 2.244 176 K HA 0.650 4.970 4.320 -0.001 0.000 0.260 176 K C -1.024 175.362 176.600 -0.356 0.000 0.951 176 K CA -0.417 55.732 56.287 -0.230 0.000 0.826 176 K CB 1.238 33.616 32.500 -0.203 0.000 1.108 176 K HN 0.733 nan 8.250 nan 0.000 0.433 177 T N 0.328 114.642 114.554 -0.399 0.000 2.848 177 T HA 0.525 4.875 4.350 -0.001 0.000 0.285 177 T C -1.182 173.301 174.700 -0.362 0.000 0.995 177 T CA -0.771 60.962 62.100 -0.611 0.000 0.970 177 T CB 1.481 69.736 68.868 -1.022 0.000 0.976 177 T HN 0.323 nan 8.240 nan 0.000 0.441 178 V N 1.723 121.455 119.914 -0.304 0.000 2.888 178 V HA 0.933 5.052 4.120 -0.001 0.000 0.309 178 V C -1.297 174.742 176.094 -0.091 0.000 1.114 178 V CA -0.380 61.835 62.300 -0.141 0.000 0.940 178 V CB 1.731 33.529 31.823 -0.041 0.000 1.021 178 V HN 1.570 nan 8.190 nan 0.000 0.426 179 A N 3.576 126.369 122.820 -0.045 0.000 2.475 179 A HA 0.958 5.277 4.320 -0.001 0.000 0.301 179 A C -0.537 177.047 177.584 0.000 0.000 1.059 179 A CA -0.170 51.878 52.037 0.019 0.000 0.710 179 A CB 2.293 21.249 19.000 -0.072 0.000 1.288 179 A HN 1.340 nan 8.150 nan 0.000 0.408 180 T N -0.402 114.184 114.554 0.054 0.000 2.840 180 T HA 0.503 4.852 4.350 -0.001 0.000 0.317 180 T C -1.496 173.179 174.700 -0.042 0.000 1.401 180 T CA 0.199 62.276 62.100 -0.040 0.000 1.028 180 T CB 1.479 70.319 68.868 -0.047 0.000 1.317 180 T HN 0.836 nan 8.240 nan 0.000 0.495 181 D N 0.817 121.177 120.400 -0.067 0.000 2.501 181 D HA 0.329 4.968 4.640 -0.001 0.000 0.224 181 D C 0.819 177.084 176.300 -0.059 0.000 1.202 181 D CA 0.120 54.110 54.000 -0.016 0.000 0.829 181 D CB 0.033 40.862 40.800 0.050 0.000 1.023 181 D HN 0.478 nan 8.370 nan 0.000 0.499 182 S N -0.959 114.639 115.700 -0.170 0.000 2.261 182 S HA -0.263 4.206 4.470 -0.001 0.000 0.247 182 S C 0.829 175.167 174.600 -0.435 0.000 1.195 182 S CA 1.375 59.388 58.200 -0.312 0.000 1.464 182 S CB -1.382 61.581 63.200 -0.394 0.000 1.835 182 S HN 0.642 nan 8.310 nan 0.000 0.598 183 H N 1.044 120.041 119.070 -0.122 0.000 2.557 183 H HA 0.379 4.935 4.556 -0.001 0.000 0.281 183 H C 0.800 175.958 175.328 -0.284 0.000 0.990 183 H CA 0.946 56.916 56.048 -0.131 0.000 1.278 183 H CB 0.371 30.109 29.762 -0.040 0.000 1.451 183 H HN 0.610 nan 8.280 nan 0.000 0.516 184 R N 0.235 120.563 120.500 -0.287 0.000 2.707 184 R HA 0.605 4.944 4.340 -0.001 0.000 0.272 184 R C -1.918 174.241 176.300 -0.235 0.000 1.011 184 R CA -0.911 54.992 56.100 -0.328 0.000 0.893 184 R CB 1.690 31.685 30.300 -0.507 0.000 1.233 184 R HN 0.101 nan 8.270 nan 0.000 0.464 185 L N -0.157 120.948 121.223 -0.197 0.000 2.424 185 L HA 0.803 5.143 4.340 -0.001 0.000 0.258 185 L C -1.271 175.515 176.870 -0.141 0.000 0.995 185 L CA -0.459 54.289 54.840 -0.152 0.000 0.821 185 L CB 2.676 44.672 42.059 -0.104 0.000 1.383 185 L HN 0.794 nan 8.230 nan 0.000 0.410 186 S N 2.283 117.903 115.700 -0.133 0.000 2.538 186 S HA 0.524 4.993 4.470 -0.001 0.000 0.288 186 S C -1.452 173.143 174.600 -0.008 0.000 1.108 186 S CA -0.437 57.730 58.200 -0.056 0.000 0.971 186 S CB 1.565 64.683 63.200 -0.136 0.000 1.041 186 S HN 0.723 nan 8.310 nan 0.000 0.483 187 Q N 2.843 122.691 119.800 0.079 0.000 2.274 187 Q HA 0.509 4.848 4.340 -0.001 0.000 0.268 187 Q C -1.704 174.386 176.000 0.149 0.000 1.015 187 Q CA -0.792 55.039 55.803 0.047 0.000 0.775 187 Q CB 1.241 29.987 28.738 0.014 0.000 1.256 187 Q HN 0.404 nan 8.270 nan 0.000 0.442 188 K N 3.232 123.643 120.400 0.018 0.000 2.413 188 K HA 0.427 4.747 4.320 -0.001 0.000 0.257 188 K C -1.571 174.985 176.600 -0.073 0.000 0.946 188 K CA -0.311 55.973 56.287 -0.005 0.000 0.823 188 K CB 1.222 33.628 32.500 -0.157 0.000 1.109 188 K HN 0.394 nan 8.250 nan 0.000 0.427 189 K N 3.920 124.302 120.400 -0.031 0.000 2.164 189 K HA 0.598 4.918 4.320 -0.001 0.000 0.258 189 K C -0.760 175.815 176.600 -0.041 0.000 0.951 189 K CA -0.805 55.449 56.287 -0.054 0.000 0.844 189 K CB 1.411 33.888 32.500 -0.037 0.000 1.099 189 K HN 0.433 nan 8.250 nan 0.000 0.435 190 L N 0.684 121.877 121.223 -0.050 0.000 2.469 190 L HA 0.419 4.758 4.340 -0.001 0.000 0.256 190 L C -0.890 175.961 176.870 -0.032 0.000 1.006 190 L CA -0.807 54.013 54.840 -0.033 0.000 0.832 190 L CB 2.881 44.923 42.059 -0.028 0.000 1.421 190 L HN 0.584 nan 8.230 nan 0.000 0.410 191 T N 2.523 117.066 114.554 -0.019 0.000 2.770 191 T HA 0.529 4.878 4.350 -0.001 0.000 0.283 191 T C -0.212 174.485 174.700 -0.005 0.000 0.988 191 T CA -0.488 61.602 62.100 -0.016 0.000 0.957 191 T CB 0.796 69.656 68.868 -0.013 0.000 0.930 191 T HN 0.224 nan 8.240 nan 0.000 0.443 192 L N 2.633 123.856 121.223 0.001 0.000 2.416 192 L HA 0.358 4.698 4.340 -0.001 0.000 0.272 192 L C 2.001 178.878 176.870 0.010 0.000 1.161 192 L CA -0.361 54.487 54.840 0.013 0.000 0.845 192 L CB 0.104 42.178 42.059 0.026 0.000 1.119 192 L HN 0.904 nan 8.230 nan 0.000 0.464 193 E N 2.167 122.373 120.200 0.010 0.000 2.338 193 E HA -0.066 4.283 4.350 -0.001 0.000 0.197 193 E C 0.685 177.289 176.600 0.008 0.000 1.007 193 E CA 0.982 57.386 56.400 0.007 0.000 0.849 193 E CB -0.001 29.702 29.700 0.006 0.000 0.774 193 E HN 0.367 nan 8.360 nan 0.000 0.506 194 K N 0.151 120.557 120.400 0.011 0.000 2.435 194 K HA 0.506 4.825 4.320 -0.001 0.000 0.251 194 K C -0.972 175.638 176.600 0.016 0.000 0.954 194 K CA -0.893 55.399 56.287 0.009 0.000 0.820 194 K CB 1.638 34.141 32.500 0.005 0.000 1.292 194 K HN 0.422 nan 8.250 nan 0.000 0.436 195 N N 0.606 119.313 118.700 0.012 0.000 2.399 195 N HA 0.381 5.120 4.740 -0.001 0.000 0.250 195 N C -0.155 175.366 175.510 0.018 0.000 1.272 195 N CA -0.044 53.021 53.050 0.024 0.000 0.928 195 N CB 1.172 39.657 38.487 -0.005 0.000 1.158 195 N HN 0.632 nan 8.380 nan 0.000 0.463 196 S N -0.619 115.109 115.700 0.046 0.000 2.615 196 S HA 0.283 4.752 4.470 -0.001 0.000 0.269 196 S C -1.915 172.742 174.600 0.095 0.000 1.161 196 S CA -0.974 57.260 58.200 0.055 0.000 0.817 196 S CB 0.750 64.014 63.200 0.106 0.000 1.131 196 S HN 0.356 nan 8.310 nan 0.000 0.467 197 D N 2.318 122.775 120.400 0.095 0.000 2.414 197 D HA 0.200 4.840 4.640 -0.001 0.000 0.242 197 D C -0.440 175.932 176.300 0.120 0.000 1.129 197 D CA 0.326 54.404 54.000 0.130 0.000 0.885 197 D CB 0.385 41.231 40.800 0.077 0.000 1.198 197 D HN 0.489 nan 8.370 nan 0.000 0.437 198 D N 0.890 121.329 120.400 0.066 0.000 2.449 198 D HA 0.195 4.835 4.640 -0.001 0.000 0.236 198 D C 0.061 176.286 176.300 -0.125 0.000 1.149 198 D CA 0.510 54.423 54.000 -0.144 0.000 0.878 198 D CB 0.299 41.008 40.800 -0.150 0.000 1.198 198 D HN 0.259 nan 8.370 nan 0.000 0.446 199 F N -1.186 118.614 119.950 -0.250 0.000 2.685 199 F HA 0.554 5.080 4.527 -0.001 0.000 0.315 199 F C -1.156 174.519 175.800 -0.208 0.000 1.126 199 F CA -1.200 56.587 58.000 -0.354 0.000 0.950 199 F CB 1.718 40.220 39.000 -0.830 0.000 1.360 199 F HN -0.016 nan 8.300 nan 0.000 0.469 200 D N 1.726 122.195 120.400 0.115 0.000 2.478 200 D HA 0.504 5.144 4.640 -0.001 0.000 0.240 200 D C -1.617 174.816 176.300 0.221 0.000 1.364 200 D CA -0.105 53.969 54.000 0.124 0.000 0.987 200 D CB 1.906 42.757 40.800 0.085 0.000 1.328 200 D HN 0.905 nan 8.370 nan 0.000 0.584 201 V N 0.392 120.488 119.914 0.303 0.000 3.159 201 V HA 0.826 4.945 4.120 -0.001 0.000 0.308 201 V C -1.179 175.111 176.094 0.327 0.000 1.190 201 V CA -0.755 61.716 62.300 0.285 0.000 1.037 201 V CB 2.153 34.135 31.823 0.266 0.000 1.060 201 V HN 0.175 nan 8.190 nan 0.000 0.437 202 V N 3.312 123.376 119.914 0.250 0.000 2.443 202 V HA 0.565 4.684 4.120 -0.001 0.000 0.293 202 V C -0.419 175.791 176.094 0.194 0.000 1.021 202 V CA -0.233 62.207 62.300 0.234 0.000 0.848 202 V CB 1.306 33.252 31.823 0.205 0.000 0.998 202 V HN 0.792 nan 8.190 nan 0.000 0.424 203 I N 6.744 127.440 120.570 0.210 0.000 2.362 203 I HA 0.411 4.580 4.170 -0.001 0.000 0.289 203 I C -2.388 173.835 176.117 0.176 0.000 0.994 203 I CA -2.220 59.179 61.300 0.165 0.000 1.158 203 I CB 2.224 40.290 38.000 0.109 0.000 1.315 203 I HN 0.378 nan 8.210 nan 0.000 0.451 204 P HA -0.040 nan 4.420 nan 0.000 0.262 204 P C 0.751 178.142 177.300 0.152 0.000 1.182 204 P CA 0.156 63.342 63.100 0.143 0.000 0.761 204 P CB 0.604 32.378 31.700 0.123 0.000 0.795 205 S N 3.674 119.460 115.700 0.143 0.000 2.447 205 S HA -0.176 4.293 4.470 -0.001 0.000 0.233 205 S C 1.783 176.467 174.600 0.140 0.000 1.006 205 S CA 0.550 58.835 58.200 0.141 0.000 0.957 205 S CB -0.565 62.709 63.200 0.123 0.000 0.773 205 S HN 0.436 nan 8.310 nan 0.000 0.507 206 R N 1.216 121.797 120.500 0.135 0.000 2.090 206 R HA 0.034 4.373 4.340 -0.001 0.000 0.228 206 R C 1.994 178.397 176.300 0.172 0.000 1.110 206 R CA 1.404 57.585 56.100 0.135 0.000 0.973 206 R CB -0.496 29.873 30.300 0.115 0.000 0.869 206 R HN 0.453 nan 8.270 nan 0.000 0.440 207 S N 1.150 116.966 115.700 0.194 0.000 2.382 207 S HA -0.079 4.390 4.470 -0.001 0.000 0.228 207 S C 1.847 176.644 174.600 0.329 0.000 1.027 207 S CA 1.061 59.435 58.200 0.290 0.000 0.991 207 S CB -0.128 63.219 63.200 0.246 0.000 0.823 207 S HN 0.292 nan 8.310 nan 0.000 0.469 208 L N 0.809 122.159 121.223 0.213 0.000 2.093 208 L HA -0.040 4.300 4.340 -0.001 0.000 0.208 208 L C 2.677 179.641 176.870 0.156 0.000 1.085 208 L CA 1.082 56.012 54.840 0.149 0.000 0.755 208 L CB -0.386 41.745 42.059 0.121 0.000 0.904 208 L HN 0.208 nan 8.230 nan 0.000 0.435 209 R N -0.304 120.285 120.500 0.147 0.000 2.092 209 R HA -0.120 4.219 4.340 -0.001 0.000 0.231 209 R C 2.204 178.557 176.300 0.087 0.000 1.119 209 R CA 0.906 57.075 56.100 0.115 0.000 0.970 209 R CB -0.137 30.227 30.300 0.108 0.000 0.864 209 R HN 0.326 nan 8.270 nan 0.000 0.440 210 E N 0.372 120.644 120.200 0.120 0.000 2.106 210 E HA -0.190 4.159 4.350 -0.001 0.000 0.192 210 E C 1.688 178.186 176.600 -0.169 0.000 0.984 210 E CA 0.821 57.260 56.400 0.064 0.000 0.806 210 E CB -0.326 29.517 29.700 0.237 0.000 0.750 210 E HN 0.244 nan 8.360 nan 0.000 0.458 211 F N 2.350 122.078 119.950 -0.370 0.000 2.063 211 F HA -0.303 4.224 4.527 -0.001 0.000 0.298 211 F C 2.427 178.064 175.800 -0.271 0.000 1.109 211 F CA 1.950 59.578 58.000 -0.619 0.000 1.212 211 F CB -0.314 38.361 39.000 -0.541 0.000 0.973 211 F HN -0.108 nan 8.300 nan 0.000 0.480 212 S N -0.117 115.585 115.700 0.004 0.000 2.399 212 S HA -0.128 4.342 4.470 -0.001 0.000 0.231 212 S C 2.032 176.547 174.600 -0.141 0.000 1.022 212 S CA 0.992 59.185 58.200 -0.012 0.000 0.983 212 S CB -0.631 62.619 63.200 0.083 0.000 0.803 212 S HN 0.558 nan 8.310 nan 0.000 0.480 213 A N 0.113 122.831 122.820 -0.170 0.000 2.147 213 A HA 0.264 4.584 4.320 -0.001 0.000 0.211 213 A C 2.028 179.446 177.584 -0.277 0.000 1.160 213 A CA 0.243 52.179 52.037 -0.170 0.000 0.781 213 A CB -0.108 18.831 19.000 -0.102 0.000 0.842 213 A HN 0.330 nan 8.150 nan 0.000 0.475 214 V N -1.260 118.367 119.914 -0.477 0.000 2.446 214 V HA 0.025 4.145 4.120 -0.001 0.000 0.244 214 V C 0.308 175.928 176.094 -0.790 0.000 1.039 214 V CA 0.912 62.805 62.300 -0.678 0.000 1.045 214 V CB -0.543 30.686 31.823 -0.991 0.000 0.681 214 V HN 0.491 nan 8.190 nan 0.000 0.459 215 F N 1.724 121.350 119.950 -0.541 0.000 2.303 215 F HA 0.369 4.895 4.527 -0.001 0.000 0.368 215 F C 1.081 176.696 175.800 -0.308 0.000 1.105 215 F CA -0.875 56.851 58.000 -0.457 0.000 1.153 215 F CB 0.015 38.598 39.000 -0.695 0.000 1.362 215 F HN 0.014 nan 8.300 nan 0.000 0.511 216 T N -2.080 112.422 114.554 -0.087 0.000 2.748 216 T HA 0.038 4.387 4.350 -0.001 0.000 0.304 216 T C 0.963 175.654 174.700 -0.015 0.000 1.041 216 T CA -0.673 61.392 62.100 -0.057 0.000 1.033 216 T CB 0.937 69.768 68.868 -0.061 0.000 0.995 216 T HN 0.381 nan 8.240 nan 0.000 0.536 217 D N 0.537 120.929 120.400 -0.013 0.000 2.219 217 D HA -0.096 4.544 4.640 -0.001 0.000 0.205 217 D C 1.936 178.239 176.300 0.005 0.000 0.970 217 D CA 1.033 55.032 54.000 -0.001 0.000 0.851 217 D CB -0.336 40.462 40.800 -0.003 0.000 0.943 217 D HN 0.820 nan 8.370 nan 0.000 0.488 218 D N 0.632 121.033 120.400 0.003 0.000 2.309 218 D HA -0.167 4.472 4.640 -0.001 0.000 0.212 218 D C 0.745 177.056 176.300 0.019 0.000 0.968 218 D CA 0.258 54.263 54.000 0.008 0.000 0.882 218 D CB -0.141 40.661 40.800 0.003 0.000 0.918 218 D HN 0.244 nan 8.370 nan 0.000 0.503 219 I N 1.378 121.965 120.570 0.030 0.000 2.308 219 I HA 0.062 4.232 4.170 -0.001 0.000 0.293 219 I C 1.227 177.357 176.117 0.023 0.000 1.078 219 I CA -0.265 61.062 61.300 0.044 0.000 1.292 219 I CB 0.991 39.053 38.000 0.103 0.000 1.423 219 I HN -0.199 nan 8.210 nan 0.000 0.493 220 E N 2.965 123.174 120.200 0.016 0.000 2.170 220 E HA -0.040 4.310 4.350 -0.001 0.000 0.191 220 E C 0.535 177.137 176.600 0.003 0.000 0.981 220 E CA 0.760 57.166 56.400 0.010 0.000 0.830 220 E CB 0.389 30.095 29.700 0.010 0.000 0.775 220 E HN 0.769 nan 8.360 nan 0.000 0.470 221 T N -2.628 111.923 114.554 -0.004 0.000 2.883 221 T HA 0.607 4.957 4.350 -0.001 0.000 0.296 221 T C -0.930 173.742 174.700 -0.046 0.000 1.117 221 T CA -0.935 61.154 62.100 -0.018 0.000 1.006 221 T CB 2.130 70.990 68.868 -0.013 0.000 1.191 221 T HN -0.089 nan 8.240 nan 0.000 0.508 222 V N 0.079 119.954 119.914 -0.064 0.000 2.888 222 V HA 0.586 4.705 4.120 -0.001 0.000 0.309 222 V C -1.264 174.779 176.094 -0.085 0.000 1.114 222 V CA -0.757 61.487 62.300 -0.094 0.000 0.940 222 V CB 2.094 33.794 31.823 -0.206 0.000 1.021 222 V HN 1.089 nan 8.190 nan 0.000 0.426 223 E N 5.005 125.151 120.200 -0.090 0.000 2.227 223 E HA 0.529 4.878 4.350 -0.001 0.000 0.282 223 E C -0.939 175.433 176.600 -0.381 0.000 1.015 223 E CA -0.255 56.009 56.400 -0.226 0.000 0.823 223 E CB 1.744 31.359 29.700 -0.141 0.000 1.081 223 E HN 0.570 nan 8.360 nan 0.000 0.396 224 I N 3.861 124.042 120.570 -0.649 0.000 2.404 224 I HA 0.371 4.540 4.170 -0.001 0.000 0.293 224 I C -0.830 174.619 176.117 -1.113 0.000 0.992 224 I CA -0.605 60.195 61.300 -0.833 0.000 1.149 224 I CB 0.794 38.309 38.000 -0.809 0.000 1.315 224 I HN 0.380 nan 8.210 nan 0.000 0.446 225 F N 4.988 124.495 119.950 -0.738 0.000 2.563 225 F HA 0.583 5.109 4.527 -0.001 0.000 0.316 225 F C -0.633 174.713 175.800 -0.756 0.000 1.076 225 F CA -0.678 57.002 58.000 -0.533 0.000 0.921 225 F CB 1.646 40.473 39.000 -0.289 0.000 1.209 225 F HN 0.108 nan 8.300 nan 0.000 0.462 226 F N 1.401 121.328 119.950 -0.039 0.000 2.507 226 F HA 0.774 5.301 4.527 -0.001 0.000 0.325 226 F C 0.206 175.996 175.800 -0.017 0.000 1.116 226 F CA -0.711 57.228 58.000 -0.100 0.000 0.930 226 F CB 1.648 40.556 39.000 -0.153 0.000 1.146 226 F HN 0.593 nan 8.300 nan 0.000 0.447 227 A N 2.144 125.047 122.820 0.139 0.000 2.389 227 A HA 0.542 4.861 4.320 -0.001 0.000 0.293 227 A C 0.467 178.119 177.584 0.114 0.000 1.186 227 A CA -0.734 51.369 52.037 0.110 0.000 0.828 227 A CB 0.799 19.840 19.000 0.069 0.000 1.369 227 A HN 0.676 nan 8.150 nan 0.000 0.446 228 N N 0.922 119.672 118.700 0.083 0.000 2.270 228 N HA -0.119 4.620 4.740 -0.001 0.000 0.181 228 N C 0.886 176.439 175.510 0.072 0.000 1.016 228 N CA 1.765 54.861 53.050 0.076 0.000 0.870 228 N CB -0.078 38.443 38.487 0.057 0.000 0.979 228 N HN 0.736 nan 8.380 nan 0.000 0.431 229 N N -0.188 118.547 118.700 0.059 0.000 2.184 229 N HA -0.021 4.718 4.740 -0.001 0.000 0.206 229 N C -0.182 175.356 175.510 0.046 0.000 1.151 229 N CA 0.007 53.087 53.050 0.049 0.000 0.878 229 N CB 0.403 38.910 38.487 0.032 0.000 1.014 229 N HN 0.427 nan 8.380 nan 0.000 0.512 230 Q N -0.690 119.140 119.800 0.049 0.000 2.630 230 Q HA 0.573 4.912 4.340 -0.001 0.000 0.295 230 Q C -1.777 174.223 176.000 0.001 0.000 0.944 230 Q CA -1.063 54.764 55.803 0.040 0.000 0.766 230 Q CB 1.893 30.666 28.738 0.059 0.000 1.471 230 Q HN 0.108 nan 8.270 nan 0.000 0.416 231 I N 1.272 121.809 120.570 -0.056 0.000 2.619 231 I HA 0.532 4.701 4.170 -0.001 0.000 0.292 231 I C -2.121 173.816 176.117 -0.302 0.000 1.100 231 I CA -1.345 59.789 61.300 -0.276 0.000 1.043 231 I CB 2.271 40.022 38.000 -0.414 0.000 1.239 231 I HN 0.754 nan 8.210 nan 0.000 0.420 232 L N 7.760 128.709 121.223 -0.456 0.000 2.305 232 L HA 0.596 4.936 4.340 -0.001 0.000 0.284 232 L C -1.744 174.849 176.870 -0.461 0.000 1.013 232 L CA 0.078 54.665 54.840 -0.422 0.000 0.819 232 L CB 1.107 42.910 42.059 -0.427 0.000 1.227 232 L HN 0.392 nan 8.230 nan 0.000 0.417 233 F N 4.986 124.955 119.950 0.031 0.000 2.405 233 F HA 0.598 5.124 4.527 -0.001 0.000 0.355 233 F C 0.420 176.309 175.800 0.148 0.000 1.121 233 F CA -0.348 57.699 58.000 0.079 0.000 1.112 233 F CB 1.043 40.215 39.000 0.287 0.000 1.126 233 F HN 0.448 nan 8.300 nan 0.000 0.481 234 R N 2.295 122.911 120.500 0.193 0.000 2.532 234 R HA 0.593 4.932 4.340 -0.001 0.000 0.297 234 R C -0.568 175.825 176.300 0.155 0.000 0.984 234 R CA -0.373 55.852 56.100 0.208 0.000 0.884 234 R CB 1.555 31.955 30.300 0.167 0.000 1.182 234 R HN 0.825 nan 8.270 nan 0.000 0.442 235 S N 0.863 116.703 115.700 0.234 0.000 2.667 235 S HA 0.134 4.603 4.470 -0.001 0.000 0.292 235 S C 0.990 175.676 174.600 0.144 0.000 1.108 235 S CA -0.084 58.218 58.200 0.171 0.000 0.992 235 S CB 1.265 64.621 63.200 0.260 0.000 1.269 235 S HN 0.539 nan 8.310 nan 0.000 0.528 236 E N 0.959 121.231 120.200 0.121 0.000 2.051 236 E HA -0.129 4.220 4.350 -0.001 0.000 0.192 236 E C 1.160 177.836 176.600 0.125 0.000 0.991 236 E CA 1.910 58.371 56.400 0.103 0.000 0.799 236 E CB -0.838 28.916 29.700 0.089 0.000 0.748 236 E HN 0.687 nan 8.360 nan 0.000 0.449 237 N N -0.907 117.882 118.700 0.148 0.000 2.210 237 N HA 0.261 5.000 4.740 -0.001 0.000 0.203 237 N C -0.101 175.511 175.510 0.170 0.000 1.175 237 N CA 0.073 53.237 53.050 0.190 0.000 0.894 237 N CB 1.059 39.642 38.487 0.160 0.000 1.041 237 N HN 0.361 nan 8.380 nan 0.000 0.506 238 I N 0.937 121.601 120.570 0.157 0.000 2.406 238 I HA 0.254 4.423 4.170 -0.001 0.000 0.290 238 I C -0.419 175.823 176.117 0.209 0.000 0.999 238 I CA -0.428 60.955 61.300 0.139 0.000 1.124 238 I CB 1.961 39.972 38.000 0.018 0.000 1.289 238 I HN -0.276 nan 8.210 nan 0.000 0.441 239 S N 6.067 121.873 115.700 0.177 0.000 2.437 239 S HA 0.490 4.959 4.470 -0.001 0.000 0.305 239 S C -0.791 173.946 174.600 0.228 0.000 1.109 239 S CA -0.417 57.867 58.200 0.141 0.000 1.099 239 S CB 1.020 64.265 63.200 0.074 0.000 1.004 239 S HN 0.438 nan 8.310 nan 0.000 0.475 240 F N 4.517 124.526 119.950 0.098 0.000 2.434 240 F HA 0.539 5.066 4.527 -0.001 0.000 0.355 240 F C -1.558 174.330 175.800 0.146 0.000 1.115 240 F CA -0.883 57.239 58.000 0.203 0.000 1.010 240 F CB 0.415 39.640 39.000 0.375 0.000 1.234 240 F HN 0.490 nan 8.300 nan 0.000 0.439 241 Y N 3.429 123.609 120.300 -0.201 0.000 2.323 241 Y HA 0.539 5.088 4.550 -0.001 0.000 0.331 241 Y C 0.612 176.263 175.900 -0.416 0.000 1.092 241 Y CA -0.613 57.361 58.100 -0.209 0.000 1.150 241 Y CB 1.871 40.259 38.460 -0.119 0.000 1.200 241 Y HN 0.551 nan 8.280 nan 0.000 0.472 242 T N 2.799 117.307 114.554 -0.077 0.000 2.916 242 T HA 0.543 4.892 4.350 -0.001 0.000 0.292 242 T C -0.459 174.254 174.700 0.022 0.000 1.055 242 T CA -0.895 61.166 62.100 -0.064 0.000 1.009 242 T CB 0.815 69.691 68.868 0.015 0.000 1.118 242 T HN 0.670 nan 8.240 nan 0.000 0.497 243 R N 1.928 122.442 120.500 0.023 0.000 2.582 243 R HA 0.536 4.875 4.340 -0.001 0.000 0.271 243 R C -0.313 176.023 176.300 0.059 0.000 1.078 243 R CA -0.401 55.721 56.100 0.037 0.000 1.127 243 R CB 0.486 30.803 30.300 0.029 0.000 1.038 243 R HN 0.498 nan 8.270 nan 0.000 0.500 244 L N 3.038 124.298 121.223 0.063 0.000 2.344 244 L HA 0.383 4.723 4.340 -0.001 0.000 0.272 244 L C -0.273 176.647 176.870 0.084 0.000 1.035 244 L CA -0.849 54.041 54.840 0.084 0.000 0.807 244 L CB 1.084 43.198 42.059 0.091 0.000 1.237 244 L HN 0.371 nan 8.230 nan 0.000 0.442 245 L N 2.367 123.652 121.223 0.103 0.000 2.313 245 L HA 0.252 4.591 4.340 -0.001 0.000 0.282 245 L C 0.108 177.038 176.870 0.100 0.000 1.092 245 L CA -0.064 54.836 54.840 0.099 0.000 0.831 245 L CB 0.610 42.740 42.059 0.119 0.000 1.159 245 L HN 0.592 nan 8.230 nan 0.000 0.442 246 E N 1.670 121.916 120.200 0.078 0.000 2.232 246 E HA 0.799 5.148 4.350 -0.001 0.000 0.265 246 E C 0.085 176.722 176.600 0.061 0.000 1.001 246 E CA -0.419 56.024 56.400 0.071 0.000 0.870 246 E CB 1.850 31.584 29.700 0.057 0.000 1.175 246 E HN 0.723 nan 8.360 nan 0.000 0.407 247 G N 1.127 109.960 108.800 0.055 0.000 2.423 247 G HA2 -0.141 3.819 3.960 -0.001 0.000 0.684 247 G HA3 -0.141 3.819 3.960 -0.001 0.000 0.684 247 G C -1.356 173.570 174.900 0.044 0.000 1.309 247 G CA -1.076 44.048 45.100 0.039 0.000 0.950 247 G HN 0.416 nan 8.290 nan 0.000 0.587 248 N N 0.083 118.794 118.700 0.018 0.000 2.414 248 N HA 0.385 5.124 4.740 -0.001 0.000 0.256 248 N C -0.520 174.980 175.510 -0.017 0.000 1.029 248 N CA -0.193 52.863 53.050 0.011 0.000 0.948 248 N CB 1.357 39.842 38.487 -0.004 0.000 1.102 248 N HN 0.517 nan 8.380 nan 0.000 0.496 249 Y N 4.043 124.237 120.300 -0.177 0.000 2.411 249 Y HA 0.139 4.688 4.550 -0.001 0.000 0.333 249 Y C -1.498 174.282 175.900 -0.200 0.000 1.186 249 Y CA -1.115 56.825 58.100 -0.267 0.000 1.381 249 Y CB 0.414 38.483 38.460 -0.652 0.000 1.273 249 Y HN 0.468 nan 8.280 nan 0.000 0.546 250 P HA -0.038 nan 4.420 nan 0.000 0.269 250 P C -0.953 176.319 177.300 -0.047 0.000 1.215 250 P CA -0.213 62.745 63.100 -0.236 0.000 0.780 250 P CB 0.644 32.152 31.700 -0.320 0.000 0.898 251 D N 1.378 121.766 120.400 -0.020 0.000 2.359 251 D HA -0.005 4.635 4.640 -0.001 0.000 0.273 251 D C 1.099 177.413 176.300 0.025 0.000 1.362 251 D CA 0.302 54.316 54.000 0.024 0.000 1.010 251 D CB 0.114 40.915 40.800 0.002 0.000 1.090 251 D HN 0.275 nan 8.370 nan 0.000 0.521 252 T N -0.250 114.352 114.554 0.079 0.000 3.054 252 T HA -0.052 4.297 4.350 -0.001 0.000 0.259 252 T C 1.237 175.957 174.700 0.034 0.000 1.092 252 T CA 0.081 62.221 62.100 0.066 0.000 1.121 252 T CB 0.237 69.188 68.868 0.139 0.000 0.912 252 T HN 0.210 nan 8.240 nan 0.000 0.489 253 D N 1.993 122.413 120.400 0.034 0.000 2.219 253 D HA -0.033 4.607 4.640 -0.001 0.000 0.205 253 D C 2.561 178.861 176.300 0.000 0.000 0.970 253 D CA 1.275 55.283 54.000 0.013 0.000 0.851 253 D CB -0.211 40.595 40.800 0.010 0.000 0.943 253 D HN 0.578 nan 8.370 nan 0.000 0.488 254 R N 0.678 121.177 120.500 -0.002 0.000 2.316 254 R HA 0.057 4.396 4.340 -0.001 0.000 0.202 254 R C 2.198 178.487 176.300 -0.018 0.000 1.029 254 R CA 0.425 56.517 56.100 -0.013 0.000 1.018 254 R CB -1.315 28.976 30.300 -0.015 0.000 0.888 254 R HN 0.279 nan 8.270 nan 0.000 0.471 255 L N 0.675 121.888 121.223 -0.017 0.000 2.554 255 L HA 0.211 4.551 4.340 -0.001 0.000 0.225 255 L C 0.836 177.695 176.870 -0.018 0.000 1.104 255 L CA 0.013 54.839 54.840 -0.023 0.000 0.866 255 L CB 0.343 42.382 42.059 -0.032 0.000 1.047 255 L HN 0.365 nan 8.230 nan 0.000 0.468 256 I N -1.100 119.464 120.570 -0.010 0.000 2.308 256 I HA 0.409 4.579 4.170 -0.001 0.000 0.293 256 I C -1.971 174.145 176.117 -0.002 0.000 1.078 256 I CA -2.227 59.077 61.300 0.007 0.000 1.292 256 I CB -0.704 37.305 38.000 0.014 0.000 1.423 256 I HN -0.034 nan 8.210 nan 0.000 0.493 257 P HA 0.455 nan 4.420 nan 0.000 0.275 257 P C 0.762 177.918 177.300 -0.240 0.000 1.228 257 P CA 0.329 63.357 63.100 -0.120 0.000 0.786 257 P CB 1.303 32.928 31.700 -0.125 0.000 0.927 258 T N 0.201 114.548 114.554 -0.345 0.000 2.980 258 T HA 0.068 4.418 4.350 -0.001 0.000 0.239 258 T C 0.459 174.866 174.700 -0.488 0.000 1.011 258 T CA 0.746 62.680 62.100 -0.277 0.000 1.171 258 T CB -0.440 68.342 68.868 -0.144 0.000 0.873 258 T HN 0.375 nan 8.240 nan 0.000 0.431 259 D N -0.210 119.877 120.400 -0.523 0.000 2.175 259 D HA 0.645 5.285 4.640 -0.001 0.000 0.248 259 D C -1.265 174.642 176.300 -0.655 0.000 1.047 259 D CA -0.393 53.362 54.000 -0.409 0.000 0.883 259 D CB 1.558 42.259 40.800 -0.164 0.000 1.180 259 D HN 0.315 nan 8.370 nan 0.000 0.438 260 F N 0.502 120.474 119.950 0.037 0.000 2.611 260 F HA 0.472 4.999 4.527 -0.001 0.000 0.324 260 F C 1.481 177.319 175.800 0.064 0.000 1.061 260 F CA -1.007 57.029 58.000 0.060 0.000 0.954 260 F CB 1.568 40.604 39.000 0.060 0.000 1.301 260 F HN 0.213 nan 8.300 nan 0.000 0.482 261 N N -0.681 118.196 118.700 0.294 0.000 2.273 261 N HA 0.130 4.869 4.740 -0.001 0.000 0.192 261 N C -0.601 175.009 175.510 0.167 0.000 1.132 261 N CA 0.461 53.618 53.050 0.178 0.000 0.887 261 N CB 1.122 39.691 38.487 0.136 0.000 1.048 261 N HN 0.482 nan 8.380 nan 0.000 0.490 262 T N 0.382 115.074 114.554 0.231 0.000 3.041 262 T HA 0.397 4.746 4.350 -0.001 0.000 0.321 262 T C -0.492 174.356 174.700 0.245 0.000 1.184 262 T CA -0.639 61.576 62.100 0.193 0.000 1.050 262 T CB 2.528 71.479 68.868 0.139 0.000 1.159 262 T HN 0.118 nan 8.240 nan 0.000 0.469 263 T N 0.211 114.849 114.554 0.141 0.000 2.896 263 T HA 0.894 5.243 4.350 -0.001 0.000 0.297 263 T C -1.089 173.641 174.700 0.051 0.000 1.108 263 T CA -0.845 61.304 62.100 0.083 0.000 1.004 263 T CB 1.232 70.086 68.868 -0.024 0.000 1.159 263 T HN 0.557 nan 8.240 nan 0.000 0.499 264 I N 0.926 121.506 120.570 0.016 0.000 2.680 264 I HA 0.380 4.549 4.170 -0.001 0.000 0.291 264 I C -0.748 175.208 176.117 -0.268 0.000 1.244 264 I CA -0.854 60.340 61.300 -0.176 0.000 1.042 264 I CB 2.877 40.740 38.000 -0.228 0.000 1.277 264 I HN 0.674 nan 8.210 nan 0.000 0.423 265 T N 5.478 119.816 114.554 -0.360 0.000 2.758 265 T HA 0.628 4.977 4.350 -0.001 0.000 0.285 265 T C -0.733 173.781 174.700 -0.310 0.000 0.981 265 T CA -0.255 61.717 62.100 -0.214 0.000 0.965 265 T CB 0.417 69.218 68.868 -0.111 0.000 0.927 265 T HN 0.141 nan 8.240 nan 0.000 0.448 266 F N 2.112 122.064 119.950 0.004 0.000 2.522 266 F HA 0.405 4.931 4.527 -0.001 0.000 0.324 266 F C 0.889 176.694 175.800 0.007 0.000 1.077 266 F CA -1.256 56.750 58.000 0.011 0.000 0.944 266 F CB 1.127 40.139 39.000 0.020 0.000 1.175 266 F HN 0.391 nan 8.300 nan 0.000 0.468 267 N N 1.305 120.130 118.700 0.209 0.000 2.454 267 N HA -0.004 4.736 4.740 -0.001 0.000 0.260 267 N C 0.763 176.349 175.510 0.126 0.000 1.218 267 N CA 0.139 53.267 53.050 0.130 0.000 0.904 267 N CB 1.303 39.845 38.487 0.091 0.000 1.065 267 N HN 0.485 nan 8.380 nan 0.000 0.462 268 V N 4.325 124.289 119.914 0.082 0.000 2.323 268 V HA -0.178 3.942 4.120 -0.001 0.000 0.244 268 V C 2.210 178.322 176.094 0.029 0.000 1.041 268 V CA 1.190 63.522 62.300 0.053 0.000 1.025 268 V CB -0.147 31.702 31.823 0.044 0.000 0.656 268 V HN 0.589 nan 8.190 nan 0.000 0.451 269 V N 0.532 120.465 119.914 0.031 0.000 2.323 269 V HA -0.195 3.925 4.120 -0.001 0.000 0.244 269 V C 2.325 178.430 176.094 0.018 0.000 1.041 269 V CA 1.966 64.278 62.300 0.019 0.000 1.025 269 V CB -0.918 30.916 31.823 0.019 0.000 0.656 269 V HN 0.529 nan 8.190 nan 0.000 0.451 270 N N 0.395 119.115 118.700 0.033 0.000 2.061 270 N HA -0.184 4.556 4.740 -0.001 0.000 0.193 270 N C 1.619 177.139 175.510 0.017 0.000 1.030 270 N CA 1.503 54.574 53.050 0.036 0.000 0.856 270 N CB -0.680 37.846 38.487 0.065 0.000 1.023 270 N HN 0.361 nan 8.380 nan 0.000 0.424 271 L N 1.483 122.708 121.223 0.002 0.000 2.017 271 L HA -0.046 4.294 4.340 -0.001 0.000 0.208 271 L C 2.293 179.120 176.870 -0.071 0.000 1.073 271 L CA 1.599 56.382 54.840 -0.094 0.000 0.745 271 L CB -0.693 41.219 42.059 -0.244 0.000 0.894 271 L HN 0.090 nan 8.230 nan 0.000 0.432 272 R N -0.824 119.652 120.500 -0.040 0.000 2.103 272 R HA -0.233 4.106 4.340 -0.001 0.000 0.242 272 R C 2.250 178.540 176.300 -0.016 0.000 1.142 272 R CA 2.237 58.324 56.100 -0.023 0.000 0.960 272 R CB -0.190 30.102 30.300 -0.014 0.000 0.858 272 R HN 0.600 nan 8.270 nan 0.000 0.439 273 Q N -0.260 119.533 119.800 -0.012 0.000 2.172 273 Q HA -0.008 4.332 4.340 -0.001 0.000 0.200 273 Q C 0.749 176.740 176.000 -0.014 0.000 0.964 273 Q CA 0.777 56.574 55.803 -0.009 0.000 0.855 273 Q CB 0.191 28.928 28.738 -0.003 0.000 0.918 273 Q HN 0.226 nan 8.270 nan 0.000 0.444 277 R N 1.260 121.748 120.500 -0.020 0.000 2.066 277 R HA 0.041 4.381 4.340 -0.001 0.000 0.232 277 R C 2.324 178.605 176.300 -0.032 0.000 1.131 277 R CA 1.439 57.524 56.100 -0.024 0.000 0.955 277 R CB -0.201 30.085 30.300 -0.024 0.000 0.851 277 R HN 0.111 nan 8.270 nan 0.000 0.432 278 A N 1.131 123.927 122.820 -0.040 0.000 1.978 278 A HA -0.213 4.106 4.320 -0.001 0.000 0.220 278 A C 2.097 179.651 177.584 -0.050 0.000 1.170 278 A CA 1.513 53.518 52.037 -0.053 0.000 0.636 278 A CB -0.454 18.502 19.000 -0.073 0.000 0.810 278 A HN 0.251 nan 8.150 nan 0.000 0.448 279 R N -0.561 119.916 120.500 -0.038 0.000 2.200 279 R HA 0.150 4.489 4.340 -0.001 0.000 0.208 279 R C 1.705 177.985 176.300 -0.034 0.000 1.033 279 R CA 0.491 56.569 56.100 -0.038 0.000 1.000 279 R CB -0.291 29.994 30.300 -0.026 0.000 0.906 279 R HN 0.516 nan 8.270 nan 0.000 0.462 280 L N 0.331 121.537 121.223 -0.029 0.000 2.046 280 L HA -0.202 4.138 4.340 -0.001 0.000 0.208 280 L C 2.137 178.988 176.870 -0.032 0.000 1.077 280 L CA 0.935 55.759 54.840 -0.027 0.000 0.747 280 L CB -0.317 41.729 42.059 -0.022 0.000 0.896 280 L HN 0.273 nan 8.230 nan 0.000 0.432 281 L N -0.550 120.651 121.223 -0.036 0.000 2.131 281 L HA -0.085 4.255 4.340 -0.001 0.000 0.206 281 L C 2.854 179.694 176.870 -0.049 0.000 1.087 281 L CA 1.969 56.784 54.840 -0.042 0.000 0.767 281 L CB -1.008 41.028 42.059 -0.038 0.000 0.917 281 L HN 0.400 nan 8.230 nan 0.000 0.441 282 S N -0.843 114.828 115.700 -0.049 0.000 2.406 282 S HA -0.122 4.348 4.470 -0.001 0.000 0.228 282 S C 2.117 176.686 174.600 -0.052 0.000 1.020 282 S CA 0.988 59.155 58.200 -0.054 0.000 0.965 282 S CB -0.450 62.709 63.200 -0.067 0.000 0.798 282 S HN 0.497 nan 8.310 nan 0.000 0.488 283 S N 2.237 117.909 115.700 -0.047 0.000 2.440 283 S HA 0.107 4.576 4.470 -0.001 0.000 0.238 283 S C 1.914 176.491 174.600 -0.037 0.000 1.010 283 S CA 0.715 58.891 58.200 -0.041 0.000 0.972 283 S CB -0.816 62.363 63.200 -0.034 0.000 0.774 283 S HN 0.809 nan 8.310 nan 0.000 0.501 284 A N 1.430 124.226 122.820 -0.040 0.000 2.121 284 A HA 0.341 4.660 4.320 -0.001 0.000 0.218 284 A C 1.457 179.016 177.584 -0.041 0.000 1.154 284 A CA 1.316 53.328 52.037 -0.041 0.000 0.679 284 A CB -1.616 17.355 19.000 -0.048 0.000 0.795 284 A HN 0.764 nan 8.150 nan 0.000 0.458 285 T N -3.138 111.391 114.554 -0.042 0.000 2.824 285 T HA 0.516 4.865 4.350 -0.001 0.000 0.277 285 T C 1.245 175.928 174.700 -0.029 0.000 0.975 285 T CA 0.536 62.614 62.100 -0.036 0.000 0.966 285 T CB 0.134 68.981 68.868 -0.035 0.000 1.054 285 T HN 0.537 nan 8.240 nan 0.000 0.533 286 Q N -0.102 119.685 119.800 -0.022 0.000 1.922 286 Q HA 0.145 4.484 4.340 -0.001 0.000 0.201 286 Q C 1.872 177.858 176.000 -0.024 0.000 0.979 286 Q CA 1.831 57.624 55.803 -0.018 0.000 0.841 286 Q CB -1.523 27.210 28.738 -0.009 0.000 0.903 286 Q HN 1.271 nan 8.270 nan 0.000 0.431 287 N N 1.234 119.922 118.700 -0.020 0.000 3.209 287 N HA 0.480 5.219 4.740 -0.001 0.000 0.309 287 N C 0.638 176.126 175.510 -0.037 0.000 1.384 287 N CA 0.131 53.165 53.050 -0.026 0.000 1.173 287 N CB -0.088 38.395 38.487 -0.007 0.000 1.460 287 N HN 0.860 nan 8.380 nan 0.000 0.534 288 G N 1.425 110.195 108.800 -0.050 0.000 2.255 288 G HA2 0.345 4.305 3.960 -0.001 0.000 0.267 288 G HA3 0.345 4.305 3.960 -0.001 0.000 0.267 288 G C 0.746 175.598 174.900 -0.079 0.000 1.177 288 G CA 0.908 45.973 45.100 -0.059 0.000 1.027 288 G HN 0.801 nan 8.290 nan 0.000 0.437 289 T N -0.814 113.693 114.554 -0.078 0.000 2.950 289 T HA 0.655 5.004 4.350 -0.001 0.000 0.288 289 T C -0.246 174.353 174.700 -0.169 0.000 1.035 289 T CA -0.988 61.039 62.100 -0.121 0.000 1.028 289 T CB 2.190 71.007 68.868 -0.085 0.000 1.109 289 T HN 0.584 nan 8.240 nan 0.000 0.514 290 V N 0.645 120.367 119.914 -0.320 0.000 2.581 290 V HA 0.662 4.782 4.120 -0.001 0.000 0.303 290 V C -0.478 175.361 176.094 -0.425 0.000 1.041 290 V CA -1.058 61.034 62.300 -0.345 0.000 0.907 290 V CB 1.569 33.149 31.823 -0.404 0.000 0.994 290 V HN 1.073 nan 8.190 nan 0.000 0.442 291 K N 6.360 126.639 120.400 -0.201 0.000 2.263 291 K HA 0.498 4.818 4.320 -0.001 0.000 0.272 291 K C -1.149 175.423 176.600 -0.048 0.000 1.033 291 K CA -0.520 55.702 56.287 -0.108 0.000 0.884 291 K CB 1.128 33.629 32.500 0.001 0.000 1.107 291 K HN 0.759 nan 8.250 nan 0.000 0.460 292 L N 3.348 124.547 121.223 -0.041 0.000 2.265 292 L HA 0.168 4.507 4.340 -0.001 0.000 0.288 292 L C -0.357 176.536 176.870 0.038 0.000 1.058 292 L CA -0.330 54.532 54.840 0.037 0.000 0.809 292 L CB 1.508 43.642 42.059 0.125 0.000 1.179 292 L HN 0.649 nan 8.230 nan 0.000 0.429 293 E N 5.110 125.364 120.200 0.091 0.000 2.133 293 E HA 0.458 4.807 4.350 -0.001 0.000 0.274 293 E C -0.666 175.954 176.600 0.032 0.000 0.930 293 E CA -0.423 56.019 56.400 0.070 0.000 0.770 293 E CB 1.563 31.355 29.700 0.153 0.000 1.104 293 E HN 0.468 nan 8.360 nan 0.000 0.403 294 I N 3.523 124.078 120.570 -0.025 0.000 2.405 294 I HA 0.538 4.707 4.170 -0.001 0.000 0.280 294 I C 0.216 176.315 176.117 -0.029 0.000 1.027 294 I CA -0.288 60.991 61.300 -0.035 0.000 1.161 294 I CB 1.466 39.408 38.000 -0.096 0.000 1.300 294 I HN 0.521 nan 8.210 nan 0.000 0.463 295 K N 3.675 124.068 120.400 -0.010 0.000 2.471 295 K HA 0.698 5.017 4.320 -0.001 0.000 0.252 295 K C -0.218 176.377 176.600 -0.008 0.000 0.938 295 K CA -0.678 55.603 56.287 -0.010 0.000 0.796 295 K CB 1.147 33.644 32.500 -0.006 0.000 1.161 295 K HN 0.624 nan 8.250 nan 0.000 0.425 296 D N 0.641 121.034 120.400 -0.011 0.000 3.254 296 D HA -0.210 4.429 4.640 -0.001 0.000 0.216 296 D C 1.345 177.635 176.300 -0.016 0.000 1.556 296 D CA 2.632 56.626 54.000 -0.011 0.000 1.105 296 D CB -0.783 40.013 40.800 -0.007 0.000 0.682 296 D HN 0.939 nan 8.370 nan 0.000 0.810 297 G N -0.939 107.851 108.800 -0.016 0.000 2.956 297 G HA2 0.287 4.246 3.960 -0.001 0.000 0.207 297 G HA3 0.287 4.246 3.960 -0.001 0.000 0.207 297 G C 0.207 175.093 174.900 -0.022 0.000 1.162 297 G CA 0.491 45.575 45.100 -0.025 0.000 0.796 297 G HN 0.334 nan 8.290 nan 0.000 0.527 298 V N 1.054 120.963 119.914 -0.008 0.000 2.407 298 V HA 0.405 4.524 4.120 -0.001 0.000 0.278 298 V C -0.130 175.975 176.094 0.018 0.000 1.037 298 V CA -0.786 61.518 62.300 0.006 0.000 0.900 298 V CB 1.568 33.399 31.823 0.013 0.000 0.983 298 V HN -0.062 nan 8.190 nan 0.000 0.459 299 V N 4.442 124.378 119.914 0.036 0.000 2.459 299 V HA 0.783 4.903 4.120 -0.001 0.000 0.295 299 V C 0.074 176.205 176.094 0.061 0.000 1.029 299 V CA -0.215 62.127 62.300 0.070 0.000 0.874 299 V CB 1.901 33.811 31.823 0.145 0.000 0.985 299 V HN 1.065 nan 8.190 nan 0.000 0.438 300 S N 3.046 118.769 115.700 0.040 0.000 2.546 300 S HA 0.929 5.398 4.470 -0.001 0.000 0.274 300 S C -0.739 173.744 174.600 -0.195 0.000 1.121 300 S CA -0.429 57.731 58.200 -0.067 0.000 0.887 300 S CB 2.157 65.350 63.200 -0.012 0.000 1.094 300 S HN 1.365 nan 8.310 nan 0.000 0.474 301 A N 2.261 124.845 122.820 -0.393 0.000 2.350 301 A HA 0.829 5.148 4.320 -0.001 0.000 0.324 301 A C -0.848 176.348 177.584 -0.647 0.000 1.118 301 A CA -0.670 51.150 52.037 -0.362 0.000 0.783 301 A CB 0.814 19.702 19.000 -0.186 0.000 1.236 301 A HN 0.907 nan 8.150 nan 0.000 0.457 302 H N 0.648 119.685 119.070 -0.054 0.000 2.771 302 H HA 0.613 5.169 4.556 -0.001 0.000 0.361 302 H C -1.533 173.767 175.328 -0.046 0.000 1.108 302 H CA -0.521 55.504 56.048 -0.038 0.000 1.201 302 H CB 1.985 31.727 29.762 -0.033 0.000 1.681 302 H HN 0.413 nan 8.280 nan 0.000 0.534 303 V N 2.363 122.331 119.914 0.090 0.000 2.808 303 V HA 0.151 4.270 4.120 -0.001 0.000 0.308 303 V C -1.013 175.151 176.094 0.116 0.000 1.099 303 V CA -0.661 61.670 62.300 0.053 0.000 0.920 303 V CB 2.603 34.421 31.823 -0.008 0.000 1.014 303 V HN 0.805 nan 8.190 nan 0.000 0.425 304 H N 1.981 121.048 119.070 -0.005 0.000 2.823 304 H HA 0.655 5.211 4.556 -0.001 0.000 0.332 304 H C -0.773 174.548 175.328 -0.012 0.000 0.980 304 H CA -0.120 55.925 56.048 -0.005 0.000 1.286 304 H CB 1.844 31.604 29.762 -0.005 0.000 1.541 304 H HN 0.547 nan 8.280 nan 0.000 0.521 305 S N 7.685 123.128 115.700 -0.428 0.000 2.577 305 S HA 0.170 4.640 4.470 -0.001 0.000 0.294 305 S C -1.750 172.583 174.600 -0.444 0.000 1.161 305 S CA -1.094 56.911 58.200 -0.324 0.000 1.143 305 S CB 1.226 64.325 63.200 -0.168 0.000 0.991 305 S HN 0.688 nan 8.310 nan 0.000 0.475 306 P HA -0.239 nan 4.420 nan 0.000 0.221 306 P C 1.293 178.502 177.300 -0.151 0.000 1.160 306 P CA 2.110 65.055 63.100 -0.258 0.000 0.933 306 P CB 0.255 31.918 31.700 -0.062 0.000 0.793 307 E N -1.548 118.588 120.200 -0.107 0.000 2.476 307 E HA 0.227 4.576 4.350 -0.001 0.000 0.196 307 E C 1.555 178.115 176.600 -0.067 0.000 1.029 307 E CA 0.388 56.750 56.400 -0.063 0.000 0.896 307 E CB -0.670 29.007 29.700 -0.038 0.000 1.012 307 E HN 0.081 nan 8.360 nan 0.000 0.475 308 V N -1.229 118.626 119.914 -0.099 0.000 2.950 308 V HA 0.663 4.783 4.120 -0.001 0.000 0.231 308 V C 1.340 177.388 176.094 -0.077 0.000 1.205 308 V CA 0.786 63.040 62.300 -0.078 0.000 1.239 308 V CB 0.963 32.739 31.823 -0.078 0.000 1.050 308 V HN 0.710 nan 8.190 nan 0.000 0.498 309 G N 0.388 109.119 108.800 -0.116 0.000 2.325 309 G HA2 0.507 4.466 3.960 -0.001 0.000 0.295 309 G HA3 0.507 4.466 3.960 -0.001 0.000 0.295 309 G C -1.875 172.978 174.900 -0.078 0.000 1.274 309 G CA -0.165 44.891 45.100 -0.073 0.000 0.857 309 G HN 0.449 nan 8.290 nan 0.000 0.499 310 K N -1.611 118.792 120.400 0.006 0.000 2.556 310 K HA 0.760 5.080 4.320 -0.001 0.000 0.274 310 K C -1.759 174.868 176.600 0.045 0.000 0.966 310 K CA -0.945 55.378 56.287 0.060 0.000 0.865 310 K CB 2.240 34.867 32.500 0.211 0.000 1.444 310 K HN 0.548 nan 8.250 nan 0.000 0.433 311 V N 1.432 121.373 119.914 0.044 0.000 2.555 311 V HA 0.421 4.540 4.120 -0.001 0.000 0.302 311 V C -1.080 175.026 176.094 0.020 0.000 1.038 311 V CA -0.742 61.565 62.300 0.011 0.000 0.887 311 V CB 1.524 33.333 31.823 -0.023 0.000 0.991 311 V HN 0.885 nan 8.190 nan 0.000 0.434 312 N N 3.192 121.888 118.700 -0.007 0.000 2.577 312 N HA 0.284 5.023 4.740 -0.001 0.000 0.275 312 N C -1.097 174.359 175.510 -0.091 0.000 1.091 312 N CA -0.364 52.664 53.050 -0.037 0.000 0.843 312 N CB 1.642 40.181 38.487 0.087 0.000 1.295 312 N HN 0.857 nan 8.380 nan 0.000 0.530 313 E N 1.499 121.587 120.200 -0.187 0.000 2.210 313 E HA 0.232 4.581 4.350 -0.001 0.000 0.266 313 E C -1.248 175.282 176.600 -0.117 0.000 0.883 313 E CA -0.588 55.743 56.400 -0.116 0.000 0.761 313 E CB 1.377 31.022 29.700 -0.093 0.000 1.156 313 E HN 0.478 nan 8.360 nan 0.000 0.412 314 E N 4.899 125.070 120.200 -0.048 0.000 2.130 314 E HA 0.238 4.587 4.350 -0.001 0.000 0.284 314 E C -0.865 175.741 176.600 0.011 0.000 1.018 314 E CA -0.437 55.954 56.400 -0.014 0.000 0.817 314 E CB 0.677 30.380 29.700 0.004 0.000 1.078 314 E HN 0.466 nan 8.360 nan 0.000 0.396 315 I N 3.498 124.094 120.570 0.043 0.000 2.315 315 I HA 0.076 4.245 4.170 -0.001 0.000 0.291 315 I C 0.028 176.219 176.117 0.122 0.000 1.006 315 I CA -0.480 60.878 61.300 0.096 0.000 1.265 315 I CB 1.614 39.710 38.000 0.159 0.000 1.387 315 I HN 0.393 nan 8.210 nan 0.000 0.475 316 D N 3.466 123.927 120.400 0.100 0.000 2.414 316 D HA 0.170 4.809 4.640 -0.001 0.000 0.242 316 D C 0.102 176.458 176.300 0.094 0.000 1.129 316 D CA 0.322 54.366 54.000 0.074 0.000 0.885 316 D CB 1.745 42.576 40.800 0.051 0.000 1.198 316 D HN 0.595 nan 8.370 nan 0.000 0.437 317 T N 0.056 114.609 114.554 -0.001 0.000 2.907 317 T HA 0.184 4.533 4.350 -0.001 0.000 0.292 317 T C 0.522 175.153 174.700 -0.115 0.000 1.043 317 T CA -0.732 61.287 62.100 -0.134 0.000 1.003 317 T CB 1.933 70.664 68.868 -0.229 0.000 1.084 317 T HN 0.395 nan 8.240 nan 0.000 0.483 318 D N 1.432 121.739 120.400 -0.156 0.000 2.216 318 D HA 0.081 4.721 4.640 -0.001 0.000 0.208 318 D C 0.327 176.564 176.300 -0.105 0.000 0.960 318 D CA 0.729 54.672 54.000 -0.094 0.000 0.861 318 D CB 0.609 41.368 40.800 -0.068 0.000 0.985 318 D HN 0.610 nan 8.370 nan 0.000 0.493 319 Q N 0.034 119.739 119.800 -0.158 0.000 2.403 319 Q HA 0.365 4.705 4.340 -0.001 0.000 0.267 319 Q C -2.238 173.668 176.000 -0.157 0.000 0.991 319 Q CA -0.575 55.154 55.803 -0.123 0.000 0.906 319 Q CB 2.145 30.830 28.738 -0.088 0.000 1.422 319 Q HN -0.172 nan 8.270 nan 0.000 0.400 320 V N 2.617 122.466 119.914 -0.108 0.000 2.638 320 V HA 0.790 4.910 4.120 -0.001 0.000 0.306 320 V C -0.527 175.539 176.094 -0.047 0.000 1.052 320 V CA -0.172 62.073 62.300 -0.091 0.000 0.885 320 V CB 1.745 33.517 31.823 -0.086 0.000 0.999 320 V HN 0.915 nan 8.190 nan 0.000 0.424 321 T N 0.549 115.088 114.554 -0.025 0.000 2.903 321 T HA 0.910 5.259 4.350 -0.001 0.000 0.299 321 T C 0.074 174.786 174.700 0.019 0.000 1.093 321 T CA 0.121 62.219 62.100 -0.002 0.000 1.002 321 T CB 1.837 70.708 68.868 0.004 0.000 1.127 321 T HN 2.143 nan 8.240 nan 0.000 0.488 322 G N 1.126 109.940 108.800 0.022 0.000 2.587 322 G HA2 0.009 3.968 3.960 -0.001 0.000 0.212 322 G HA3 0.009 3.968 3.960 -0.001 0.000 0.212 322 G C -0.524 174.390 174.900 0.022 0.000 1.327 322 G CA -0.267 44.855 45.100 0.036 0.000 0.898 322 G HN 1.048 nan 8.290 nan 0.000 0.551 323 E N 0.957 121.174 120.200 0.029 0.000 2.373 323 E HA 0.410 4.760 4.350 -0.001 0.000 0.263 323 E C 0.616 177.210 176.600 -0.009 0.000 1.073 323 E CA 0.031 56.438 56.400 0.013 0.000 0.894 323 E CB 0.774 30.487 29.700 0.021 0.000 1.008 323 E HN 0.519 nan 8.360 nan 0.000 0.420 324 D N 0.321 120.711 120.400 -0.017 0.000 2.364 324 D HA 0.284 4.924 4.640 -0.001 0.000 0.236 324 D C -0.018 176.251 176.300 -0.052 0.000 1.221 324 D CA 0.299 54.278 54.000 -0.035 0.000 0.891 324 D CB 0.709 41.494 40.800 -0.025 0.000 1.190 324 D HN 0.184 nan 8.370 nan 0.000 0.449 325 L N -0.254 120.920 121.223 -0.082 0.000 2.643 325 L HA 0.276 4.615 4.340 -0.001 0.000 0.256 325 L C -1.465 175.336 176.870 -0.114 0.000 0.931 325 L CA -0.171 54.602 54.840 -0.112 0.000 0.895 325 L CB 2.329 44.261 42.059 -0.210 0.000 1.430 325 L HN 0.262 nan 8.230 nan 0.000 0.419 326 T N 5.648 120.156 114.554 -0.076 0.000 2.840 326 T HA 0.727 5.076 4.350 -0.001 0.000 0.287 326 T C -1.030 173.654 174.700 -0.027 0.000 0.991 326 T CA -0.163 61.907 62.100 -0.050 0.000 0.964 326 T CB 0.966 69.817 68.868 -0.027 0.000 0.954 326 T HN 0.629 nan 8.240 nan 0.000 0.438 327 I N 1.698 122.262 120.570 -0.010 0.000 2.802 327 I HA 0.652 4.821 4.170 -0.001 0.000 0.298 327 I C -0.992 175.214 176.117 0.148 0.000 1.176 327 I CA -0.328 61.024 61.300 0.086 0.000 1.025 327 I CB 2.027 40.065 38.000 0.063 0.000 1.243 327 I HN 0.534 nan 8.210 nan 0.000 0.424 328 S N 5.744 121.563 115.700 0.198 0.000 2.568 328 S HA 0.902 5.371 4.470 -0.001 0.000 0.293 328 S C -1.278 173.488 174.600 0.276 0.000 1.089 328 S CA -0.413 57.825 58.200 0.063 0.000 0.945 328 S CB 1.779 64.989 63.200 0.015 0.000 1.077 328 S HN 0.508 nan 8.310 nan 0.000 0.485 329 F N -0.446 119.593 119.950 0.148 0.000 2.807 329 F HA 0.520 5.047 4.527 -0.001 0.000 0.316 329 F C -1.042 174.805 175.800 0.079 0.000 1.162 329 F CA -1.248 56.867 58.000 0.192 0.000 0.910 329 F CB 0.530 39.759 39.000 0.382 0.000 1.314 329 F HN 0.407 nan 8.300 nan 0.000 0.454 330 N N 3.372 122.216 118.700 0.240 0.000 2.431 330 N HA 0.275 5.015 4.740 -0.001 0.000 0.265 330 N C -1.589 173.991 175.510 0.117 0.000 1.184 330 N CA -2.281 50.727 53.050 -0.070 0.000 0.943 330 N CB 1.061 39.170 38.487 -0.629 0.000 1.080 330 N HN 0.464 nan 8.380 nan 0.000 0.477 331 P HA -0.100 nan 4.420 nan 0.000 0.218 331 P C 0.907 178.279 177.300 0.120 0.000 1.149 331 P CA 1.253 64.432 63.100 0.132 0.000 0.817 331 P CB 0.169 31.870 31.700 0.002 0.000 0.785 332 T N -0.786 113.774 114.554 0.009 0.000 2.803 332 T HA -0.164 4.185 4.350 -0.001 0.000 0.269 332 T C 1.640 176.458 174.700 0.196 0.000 1.052 332 T CA 1.287 63.413 62.100 0.044 0.000 1.136 332 T CB -0.798 68.059 68.868 -0.019 0.000 0.864 332 T HN 0.028 nan 8.240 nan 0.000 0.467 333 Y N 0.745 121.133 120.300 0.146 0.000 2.200 333 Y HA 0.064 4.613 4.550 -0.001 0.000 0.290 333 Y C 2.204 178.172 175.900 0.113 0.000 1.137 333 Y CA -0.425 57.759 58.100 0.141 0.000 1.163 333 Y CB -1.208 37.331 38.460 0.131 0.000 0.988 333 Y HN 0.115 nan 8.280 nan 0.000 0.518 334 L N 0.263 121.662 121.223 0.292 0.000 2.017 334 L HA -0.176 4.164 4.340 -0.001 0.000 0.208 334 L C 2.150 179.081 176.870 0.101 0.000 1.073 334 L CA 1.517 56.456 54.840 0.165 0.000 0.745 334 L CB -1.122 41.063 42.059 0.210 0.000 0.894 334 L HN 0.155 nan 8.230 nan 0.000 0.432 335 I N -0.340 120.291 120.570 0.100 0.000 2.163 335 I HA -0.331 3.838 4.170 -0.001 0.000 0.243 335 I C 2.108 178.214 176.117 -0.018 0.000 1.085 335 I CA 1.546 62.867 61.300 0.035 0.000 1.347 335 I CB -0.585 37.433 38.000 0.031 0.000 1.044 335 I HN 0.262 nan 8.210 nan 0.000 0.408 336 D N 0.543 120.940 120.400 -0.006 0.000 2.133 336 D HA -0.160 4.480 4.640 -0.001 0.000 0.195 336 D C 2.401 178.516 176.300 -0.308 0.000 0.997 336 D CA 1.479 55.361 54.000 -0.197 0.000 0.840 336 D CB -0.262 40.530 40.800 -0.013 0.000 0.947 336 D HN 0.205 nan 8.370 nan 0.000 0.452 337 S N -0.055 115.645 115.700 0.000 0.000 2.383 337 S HA -0.043 4.426 4.470 -0.001 0.000 0.227 337 S C 2.154 176.760 174.600 0.011 0.000 1.026 337 S CA 0.489 58.737 58.200 0.080 0.000 0.981 337 S CB -0.074 63.172 63.200 0.077 0.000 0.818 337 S HN 0.246 nan 8.310 nan 0.000 0.472 338 L N 0.979 122.191 121.223 -0.019 0.000 2.044 338 L HA -0.015 4.324 4.340 -0.001 0.000 0.205 338 L C 2.350 179.207 176.870 -0.021 0.000 1.075 338 L CA 1.049 55.882 54.840 -0.012 0.000 0.747 338 L CB -0.445 41.604 42.059 -0.016 0.000 0.903 338 L HN 0.188 nan 8.230 nan 0.000 0.435 339 K N 0.392 120.748 120.400 -0.072 0.000 2.160 339 K HA -0.176 4.144 4.320 -0.001 0.000 0.206 339 K C 2.011 178.566 176.600 -0.075 0.000 1.047 339 K CA 1.427 57.661 56.287 -0.088 0.000 0.930 339 K CB -0.234 32.178 32.500 -0.147 0.000 0.720 339 K HN 0.307 nan 8.250 nan 0.000 0.450 340 A N 0.830 123.602 122.820 -0.080 0.000 2.169 340 A HA 0.071 4.390 4.320 -0.001 0.000 0.212 340 A C 0.831 178.545 177.584 0.218 0.000 1.153 340 A CA 0.250 52.323 52.037 0.059 0.000 0.756 340 A CB -0.132 18.990 19.000 0.203 0.000 0.813 340 A HN 0.087 nan 8.150 nan 0.000 0.471 341 L N -0.099 121.238 121.223 0.190 0.000 2.395 341 L HA 0.218 4.557 4.340 -0.001 0.000 0.269 341 L C 0.479 177.426 176.870 0.127 0.000 1.133 341 L CA -0.251 54.726 54.840 0.228 0.000 0.812 341 L CB 0.777 42.918 42.059 0.138 0.000 1.125 341 L HN 0.268 nan 8.230 nan 0.000 0.452 342 N N -0.127 118.648 118.700 0.125 0.000 2.238 342 N HA 0.047 4.786 4.740 -0.001 0.000 0.222 342 N C -0.579 174.969 175.510 0.063 0.000 1.133 342 N CA -0.276 52.816 53.050 0.071 0.000 0.854 342 N CB 0.606 39.123 38.487 0.049 0.000 1.041 342 N HN 0.639 nan 8.380 nan 0.000 0.510 343 S N -1.120 114.624 115.700 0.072 0.000 2.648 343 S HA 0.278 4.747 4.470 -0.001 0.000 0.305 343 S C 0.805 175.433 174.600 0.047 0.000 1.094 343 S CA -0.833 57.401 58.200 0.057 0.000 0.983 343 S CB 2.543 65.781 63.200 0.062 0.000 1.101 343 S HN 0.091 nan 8.310 nan 0.000 0.514 344 E N 0.688 120.912 120.200 0.039 0.000 2.107 344 E HA -0.007 4.343 4.350 -0.001 0.000 0.191 344 E C -0.043 176.584 176.600 0.046 0.000 0.982 344 E CA 0.821 57.243 56.400 0.037 0.000 0.809 344 E CB 0.131 29.849 29.700 0.030 0.000 0.756 344 E HN 0.561 nan 8.360 nan 0.000 0.459 345 K N 0.136 120.564 120.400 0.045 0.000 2.340 345 K HA 0.470 4.789 4.320 -0.001 0.000 0.244 345 K C -1.279 175.354 176.600 0.055 0.000 0.973 345 K CA -0.691 55.629 56.287 0.056 0.000 0.828 345 K CB 2.920 35.444 32.500 0.039 0.000 1.226 345 K HN -0.110 nan 8.250 nan 0.000 0.437 346 V N 0.739 120.702 119.914 0.082 0.000 2.789 346 V HA 0.458 4.577 4.120 -0.001 0.000 0.311 346 V C -1.410 174.731 176.094 0.079 0.000 1.073 346 V CA -0.249 62.090 62.300 0.066 0.000 0.921 346 V CB 2.302 34.166 31.823 0.069 0.000 1.009 346 V HN 0.788 nan 8.190 nan 0.000 0.426 347 T N 7.776 122.335 114.554 0.008 0.000 2.786 347 T HA 0.616 4.965 4.350 -0.001 0.000 0.283 347 T C -0.461 174.192 174.700 -0.078 0.000 0.992 347 T CA -0.065 62.020 62.100 -0.025 0.000 0.954 347 T CB 0.649 69.478 68.868 -0.066 0.000 0.934 347 T HN 0.519 nan 8.240 nan 0.000 0.440 348 I N 2.309 122.850 120.570 -0.049 0.000 2.441 348 I HA 0.512 4.681 4.170 -0.001 0.000 0.295 348 I C 0.073 175.961 176.117 -0.383 0.000 0.994 348 I CA -0.682 60.500 61.300 -0.196 0.000 1.144 348 I CB 1.904 39.862 38.000 -0.071 0.000 1.314 348 I HN 0.470 nan 8.210 nan 0.000 0.445 349 S N 5.417 120.724 115.700 -0.655 0.000 2.647 349 S HA 0.667 5.136 4.470 -0.001 0.000 0.300 349 S C -0.848 173.411 174.600 -0.568 0.000 1.129 349 S CA -0.496 57.289 58.200 -0.692 0.000 1.029 349 S CB 1.016 63.452 63.200 -1.274 0.000 1.007 349 S HN 0.291 nan 8.310 nan 0.000 0.484 350 F N 2.152 122.138 119.950 0.060 0.000 2.556 350 F HA 0.575 5.101 4.527 -0.001 0.000 0.327 350 F C 1.082 177.098 175.800 0.360 0.000 1.059 350 F CA -1.047 57.090 58.000 0.230 0.000 0.953 350 F CB 0.808 39.850 39.000 0.072 0.000 1.227 350 F HN 0.377 nan 8.300 nan 0.000 0.478 351 I N -0.468 120.398 120.570 0.494 0.000 3.194 351 I HA 0.160 4.329 4.170 -0.001 0.000 0.271 351 I C 0.587 176.835 176.117 0.218 0.000 1.150 351 I CA 0.562 62.038 61.300 0.292 0.000 1.440 351 I CB -0.541 37.564 38.000 0.174 0.000 1.276 351 I HN 0.605 nan 8.210 nan 0.000 0.457 352 S N -0.313 115.526 115.700 0.232 0.000 2.703 352 S HA 0.629 5.099 4.470 -0.001 0.000 0.273 352 S C 0.317 175.027 174.600 0.184 0.000 1.178 352 S CA -0.042 58.254 58.200 0.159 0.000 0.838 352 S CB 1.599 64.869 63.200 0.116 0.000 1.178 352 S HN 0.124 nan 8.310 nan 0.000 0.494 353 A N 0.134 123.032 122.820 0.130 0.000 2.167 353 A HA 0.310 4.629 4.320 -0.001 0.000 0.214 353 A C 1.663 179.356 177.584 0.182 0.000 1.151 353 A CA 1.412 53.534 52.037 0.141 0.000 0.735 353 A CB -0.943 18.109 19.000 0.087 0.000 0.802 353 A HN 1.619 nan 8.150 nan 0.000 0.467 354 V N -4.803 115.210 119.914 0.164 0.000 3.612 354 V HA 0.343 4.463 4.120 -0.001 0.000 0.268 354 V C 0.487 176.677 176.094 0.159 0.000 1.365 354 V CA -0.434 61.957 62.300 0.152 0.000 1.044 354 V CB -0.298 31.588 31.823 0.105 0.000 0.820 354 V HN 0.266 nan 8.190 nan 0.000 0.444 355 R N 1.729 122.333 120.500 0.173 0.000 2.500 355 R HA 0.523 4.862 4.340 -0.001 0.000 0.277 355 R C -2.677 173.755 176.300 0.220 0.000 1.026 355 R CA -2.278 53.917 56.100 0.158 0.000 1.058 355 R CB 0.356 30.734 30.300 0.130 0.000 1.078 355 R HN 0.243 nan 8.270 nan 0.000 0.509 356 P HA 0.061 nan 4.420 nan 0.000 0.269 356 P C -0.776 176.606 177.300 0.137 0.000 1.215 356 P CA 0.081 63.214 63.100 0.055 0.000 0.780 356 P CB 0.307 31.978 31.700 -0.048 0.000 0.898 357 F N -1.600 118.347 119.950 -0.005 0.000 2.556 357 F HA 0.792 5.318 4.527 -0.001 0.000 0.327 357 F C 0.120 175.793 175.800 -0.212 0.000 1.059 357 F CA -1.097 56.817 58.000 -0.143 0.000 0.953 357 F CB 0.537 39.266 39.000 -0.452 0.000 1.227 357 F HN 0.232 nan 8.300 nan 0.000 0.478 358 T N 0.303 114.780 114.554 -0.128 0.000 2.925 358 T HA 0.803 5.153 4.350 -0.001 0.000 0.285 358 T C -1.043 173.520 174.700 -0.228 0.000 1.021 358 T CA -0.747 61.235 62.100 -0.197 0.000 1.042 358 T CB 1.606 70.373 68.868 -0.167 0.000 1.037 358 T HN 0.615 nan 8.240 nan 0.000 0.481 359 L N 2.299 123.394 121.223 -0.214 0.000 2.385 359 L HA 0.737 5.077 4.340 -0.001 0.000 0.273 359 L C -0.222 176.497 176.870 -0.253 0.000 0.990 359 L CA -0.962 53.758 54.840 -0.200 0.000 0.821 359 L CB 2.068 44.031 42.059 -0.159 0.000 1.279 359 L HN 0.835 nan 8.230 nan 0.000 0.412 360 V N 0.371 120.159 119.914 -0.211 0.000 2.914 360 V HA 0.828 4.947 4.120 -0.001 0.000 0.314 360 V C -2.643 173.368 176.094 -0.139 0.000 1.084 360 V CA -2.367 59.803 62.300 -0.216 0.000 0.963 360 V CB 1.956 33.690 31.823 -0.147 0.000 1.025 360 V HN 0.560 nan 8.190 nan 0.000 0.432 361 P HA 0.333 nan 4.420 nan 0.000 0.271 361 P C -0.377 176.919 177.300 -0.006 0.000 1.216 361 P CA 0.311 63.403 63.100 -0.013 0.000 0.776 361 P CB 1.062 32.801 31.700 0.066 0.000 0.881 362 A N 1.572 124.395 122.820 0.005 0.000 2.310 362 A HA 0.523 4.843 4.320 -0.001 0.000 0.299 362 A C 0.860 178.451 177.584 0.011 0.000 1.147 362 A CA 0.467 52.505 52.037 0.001 0.000 0.818 362 A CB -0.986 18.014 19.000 0.001 0.000 1.096 362 A HN 0.792 nan 8.150 nan 0.000 0.495 363 D N -0.087 120.317 120.400 0.006 0.000 2.716 363 D HA 0.058 4.697 4.640 -0.001 0.000 0.239 363 D C 0.109 176.420 176.300 0.018 0.000 1.125 363 D CA 1.621 55.626 54.000 0.010 0.000 0.681 363 D CB -2.048 38.758 40.800 0.009 0.000 1.070 363 D HN 1.417 nan 8.370 nan 0.000 0.432 364 T N -2.349 112.218 114.554 0.021 0.000 2.883 364 T HA 0.497 4.846 4.350 -0.001 0.000 0.301 364 T C 0.560 175.278 174.700 0.030 0.000 1.158 364 T CA 0.684 62.802 62.100 0.030 0.000 1.007 364 T CB 1.888 70.785 68.868 0.047 0.000 1.186 364 T HN 0.215 nan 8.240 nan 0.000 0.499 365 D N 1.047 121.465 120.400 0.030 0.000 2.347 365 D HA 0.075 4.715 4.640 -0.001 0.000 0.215 365 D C 0.701 177.023 176.300 0.036 0.000 0.976 365 D CA 0.374 54.390 54.000 0.026 0.000 0.884 365 D CB 0.159 40.971 40.800 0.020 0.000 0.915 365 D HN 0.592 nan 8.370 nan 0.000 0.526 366 E N 1.180 121.413 120.200 0.055 0.000 2.366 366 E HA -0.015 4.334 4.350 -0.001 0.000 0.266 366 E C -0.607 176.052 176.600 0.098 0.000 1.015 366 E CA -0.205 56.243 56.400 0.081 0.000 0.906 366 E CB 0.619 30.393 29.700 0.124 0.000 0.979 366 E HN -0.006 nan 8.360 nan 0.000 0.443 367 D N 5.170 125.621 120.400 0.085 0.000 2.619 367 D HA 0.083 4.722 4.640 -0.001 0.000 0.224 367 D C -1.354 175.040 176.300 0.157 0.000 1.133 367 D CA -0.017 54.031 54.000 0.081 0.000 1.017 367 D CB -0.434 40.389 40.800 0.038 0.000 1.077 367 D HN 0.206 nan 8.370 nan 0.000 0.503 371 L N 2.296 123.400 121.223 -0.198 0.000 2.354 371 L HA 0.723 5.063 4.340 -0.001 0.000 0.269 371 L C -0.809 175.850 176.870 -0.352 0.000 1.005 371 L CA -0.842 53.837 54.840 -0.268 0.000 0.819 371 L CB 1.781 43.730 42.059 -0.184 0.000 1.311 371 L HN 0.512 nan 8.230 nan 0.000 0.423 372 I N 0.874 121.087 120.570 -0.595 0.000 2.533 372 I HA 0.277 4.446 4.170 -0.001 0.000 0.290 372 I C -0.495 175.299 176.117 -0.538 0.000 1.056 372 I CA -0.319 60.624 61.300 -0.596 0.000 1.057 372 I CB 2.628 40.134 38.000 -0.822 0.000 1.240 372 I HN 0.503 nan 8.210 nan 0.000 0.423 373 T N 7.252 121.716 114.554 -0.151 0.000 2.743 373 T HA 0.341 4.691 4.350 -0.001 0.000 0.293 373 T C -2.263 172.560 174.700 0.205 0.000 0.945 373 T CA -1.040 61.072 62.100 0.020 0.000 1.030 373 T CB 0.920 69.827 68.868 0.065 0.000 0.912 373 T HN 0.348 nan 8.240 nan 0.000 0.483 374 P HA 0.361 nan 4.420 nan 0.000 0.275 374 P C -0.843 176.642 177.300 0.309 0.000 1.266 374 P CA -0.472 62.896 63.100 0.447 0.000 0.793 374 P CB 0.712 32.715 31.700 0.505 0.000 1.074 375 V N 0.513 120.596 119.914 0.282 0.000 2.581 375 V HA 0.376 4.495 4.120 -0.001 0.000 0.303 375 V C 0.840 177.024 176.094 0.150 0.000 1.041 375 V CA -0.896 61.516 62.300 0.188 0.000 0.907 375 V CB 1.421 33.333 31.823 0.147 0.000 0.994 375 V HN 0.579 nan 8.190 nan 0.000 0.442 376 R N 1.964 122.533 120.500 0.115 0.000 2.390 376 R HA 0.768 5.107 4.340 -0.001 0.000 0.291 376 R C -0.184 176.155 176.300 0.065 0.000 1.070 376 R CA 0.149 56.301 56.100 0.087 0.000 1.014 376 R CB 0.549 30.893 30.300 0.073 0.000 1.007 376 R HN 0.848 nan 8.270 nan 0.000 0.466 377 T N 0.000 114.584 114.554 0.050 0.000 3.816 377 T HA 0.000 4.349 4.350 -0.001 0.000 0.228 377 T CA 0.000 62.119 62.100 0.032 0.000 1.349 377 T CB 0.000 68.882 68.868 0.024 0.000 0.612 377 T HN 0.000 nan 8.240 nan 0.000 0.658