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 1xea_1_D DATA FIRST_RESID 2 DATA SEQUENCE SLKIAXIGLG DIAQKAYLPV LAQWPDIELV LCTRNPKVLG TLATRYRVSA DATA SEQUENCE TCTDYRDVLQ YGVDAVXIHA ATDVHSTLAA FFLHLGIPTF VDKPLAASAQ DATA SEQUENCE ECENLYELAE KHHQPLYVGF NRRHIPLYNQ HLSELAQQEC GALRSLRWEK DATA SEQUENCE HRHALPGDIR TFVFDDFIHP LDSVNLSRQC NLDDLHLTYH XSEGLLARLD DATA SEQUENCE VQWQTGDTLL HASXNRQFGI TTEHVTASYD NVAYLFDSFT QGKXWRDNQE DATA SEQUENCE SRVALKDWTP XLASKGFDAX VQDWLQVAAA GKLPTHIIER NLASHQLAEA DATA SEQUENCE ICQQITQQVT K 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 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.578 174.600 -0.037 0.000 1.055 2 S CA 0.000 58.194 58.200 -0.011 0.000 1.107 2 S CB 0.000 63.199 63.200 -0.001 0.000 0.593 3 L N 2.248 123.440 121.223 -0.051 0.000 2.409 3 L HA 0.656 4.995 4.340 -0.000 0.000 0.262 3 L C -0.748 176.074 176.870 -0.079 0.000 0.992 3 L CA -0.707 54.078 54.840 -0.092 0.000 0.817 3 L CB 2.313 44.274 42.059 -0.164 0.000 1.350 3 L HN 0.685 nan 8.230 nan 0.000 0.411 4 K N 3.295 123.649 120.400 -0.077 0.000 2.413 4 K HA 0.725 5.044 4.320 -0.000 0.000 0.257 4 K C -1.497 175.056 176.600 -0.078 0.000 0.946 4 K CA -0.394 55.861 56.287 -0.053 0.000 0.823 4 K CB 1.317 33.811 32.500 -0.010 0.000 1.109 4 K HN 0.449 nan 8.250 nan 0.000 0.427 5 I N 2.747 123.264 120.570 -0.088 0.000 2.608 5 I HA 0.553 4.723 4.170 -0.000 0.000 0.295 5 I C -0.242 175.815 176.117 -0.099 0.000 1.049 5 I CA -1.037 60.203 61.300 -0.099 0.000 1.063 5 I CB 2.115 40.042 38.000 -0.122 0.000 1.248 5 I HN 0.648 nan 8.210 nan 0.000 0.424 9 G N 5.454 114.244 108.800 -0.018 0.000 2.898 9 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.267 9 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.267 9 G C -0.576 174.367 174.900 0.071 0.000 1.061 9 G CA -0.740 44.374 45.100 0.024 0.000 1.230 9 G HN 0.640 nan 8.290 nan 0.000 0.569 10 L N 2.219 123.472 121.223 0.051 0.000 2.423 10 L HA 0.471 4.811 4.340 -0.000 0.000 0.249 10 L C 1.556 178.451 176.870 0.041 0.000 1.276 10 L CA 0.091 54.961 54.840 0.050 0.000 1.199 10 L CB -0.246 41.828 42.059 0.026 0.000 1.407 10 L HN 0.543 nan 8.230 nan 0.000 0.410 11 G N -0.122 108.709 108.800 0.053 0.000 2.714 11 G HA2 -0.008 3.951 3.960 -0.000 0.000 0.197 11 G HA3 -0.008 3.951 3.960 -0.000 0.000 0.197 11 G C 0.405 175.320 174.900 0.026 0.000 1.449 11 G CA -0.088 45.037 45.100 0.041 0.000 1.065 11 G HN 0.398 nan 8.290 nan 0.000 0.575 12 D N -0.936 119.481 120.400 0.028 0.000 2.097 12 D HA -0.098 4.542 4.640 -0.000 0.000 0.195 12 D C 2.235 178.532 176.300 -0.005 0.000 0.989 12 D CA 0.887 54.896 54.000 0.015 0.000 0.827 12 D CB -0.100 40.714 40.800 0.025 0.000 0.966 12 D HN 0.210 nan 8.370 nan 0.000 0.456 13 I N -0.327 120.251 120.570 0.013 0.000 2.353 13 I HA -0.140 4.029 4.170 -0.000 0.000 0.248 13 I C 2.064 178.146 176.117 -0.058 0.000 1.119 13 I CA 0.962 62.257 61.300 -0.009 0.000 1.417 13 I CB -0.123 37.936 38.000 0.099 0.000 1.078 13 I HN 0.055 nan 8.210 nan 0.000 0.421 14 A N 0.187 122.961 122.820 -0.076 0.000 1.908 14 A HA -0.288 4.032 4.320 -0.000 0.000 0.218 14 A C 2.182 179.705 177.584 -0.101 0.000 1.181 14 A CA 1.869 53.815 52.037 -0.152 0.000 0.627 14 A CB -0.643 18.348 19.000 -0.014 0.000 0.818 14 A HN 0.596 nan 8.150 nan 0.000 0.445 15 Q N -1.261 118.496 119.800 -0.071 0.000 2.187 15 Q HA -0.059 4.281 4.340 -0.000 0.000 0.199 15 Q C 2.111 178.059 176.000 -0.087 0.000 0.957 15 Q CA 1.356 57.117 55.803 -0.070 0.000 0.857 15 Q CB -0.044 28.686 28.738 -0.014 0.000 0.929 15 Q HN 0.678 nan 8.270 nan 0.000 0.453 16 K N -0.465 119.868 120.400 -0.112 0.000 2.116 16 K HA -0.029 4.290 4.320 -0.000 0.000 0.203 16 K C 1.365 177.807 176.600 -0.262 0.000 1.052 16 K CA 1.097 57.297 56.287 -0.146 0.000 0.952 16 K CB 0.203 32.624 32.500 -0.132 0.000 0.729 16 K HN 0.148 nan 8.250 nan 0.000 0.446 17 A N -0.960 121.623 122.820 -0.395 0.000 1.948 17 A HA 0.136 4.456 4.320 -0.000 0.000 0.197 17 A C 1.608 178.894 177.584 -0.498 0.000 1.911 17 A CA -0.225 51.424 52.037 -0.645 0.000 1.011 17 A CB -0.782 17.366 19.000 -1.419 0.000 1.119 17 A HN 0.168 nan 8.150 nan 0.000 0.621 18 Y N 0.703 120.786 120.300 -0.362 0.000 2.040 18 Y HA -0.275 4.275 4.550 -0.000 0.000 0.275 18 Y C 2.373 178.153 175.900 -0.201 0.000 1.171 18 Y CA 2.035 59.986 58.100 -0.248 0.000 1.123 18 Y CB -0.469 37.780 38.460 -0.351 0.000 0.963 18 Y HN 0.301 nan 8.280 nan 0.000 0.493 19 L N 0.406 121.571 121.223 -0.096 0.000 1.970 19 L HA -0.180 4.160 4.340 -0.000 0.000 0.212 19 L C -0.385 176.303 176.870 -0.303 0.000 1.071 19 L CA 1.684 56.366 54.840 -0.262 0.000 0.751 19 L CB -1.504 40.300 42.059 -0.424 0.000 0.889 19 L HN 0.171 nan 8.230 nan 0.000 0.432 20 P HA -0.141 nan 4.420 nan 0.000 0.219 20 P C 1.735 179.048 177.300 0.021 0.000 1.146 20 P CA 1.368 64.439 63.100 -0.048 0.000 0.808 20 P CB 0.045 31.751 31.700 0.011 0.000 0.779 21 V N -0.489 119.427 119.914 0.002 0.000 2.407 21 V HA -0.142 3.978 4.120 -0.000 0.000 0.245 21 V C 2.568 178.814 176.094 0.252 0.000 1.041 21 V CA 1.418 63.794 62.300 0.126 0.000 1.040 21 V CB -1.021 30.875 31.823 0.121 0.000 0.671 21 V HN -0.017 nan 8.190 nan 0.000 0.455 22 L N 0.236 121.545 121.223 0.143 0.000 2.418 22 L HA 0.127 4.467 4.340 -0.000 0.000 0.218 22 L C 2.455 179.409 176.870 0.139 0.000 1.125 22 L CA 1.347 56.271 54.840 0.139 0.000 0.835 22 L CB -0.780 41.272 42.059 -0.011 0.000 0.953 22 L HN 0.253 nan 8.230 nan 0.000 0.454 23 A N 0.312 123.186 122.820 0.091 0.000 1.930 23 A HA -0.215 4.105 4.320 -0.000 0.000 0.217 23 A C 2.137 179.823 177.584 0.170 0.000 1.175 23 A CA 1.718 53.832 52.037 0.127 0.000 0.627 23 A CB -0.312 18.807 19.000 0.199 0.000 0.815 23 A HN 0.560 nan 8.150 nan 0.000 0.443 24 Q N -2.366 117.539 119.800 0.174 0.000 2.356 24 Q HA 0.066 4.406 4.340 -0.000 0.000 0.205 24 Q C 0.578 176.659 176.000 0.134 0.000 0.901 24 Q CA -0.212 55.668 55.803 0.129 0.000 0.938 24 Q CB -0.235 28.554 28.738 0.086 0.000 1.081 24 Q HN 0.614 nan 8.270 nan 0.000 0.517 25 W N 5.366 126.672 121.300 0.010 0.000 2.565 25 W HA 0.197 4.856 4.660 -0.000 0.000 0.325 25 W C -2.253 174.263 176.519 -0.006 0.000 1.408 25 W CA -1.986 55.357 57.345 -0.002 0.000 1.350 25 W CB 0.527 29.979 29.460 -0.012 0.000 1.426 25 W HN 0.140 nan 8.180 nan 0.000 0.538 26 P HA -0.089 nan 4.420 nan 0.000 0.269 26 P C -0.006 177.406 177.300 0.188 0.000 1.209 26 P CA 0.782 63.952 63.100 0.116 0.000 0.776 26 P CB 0.842 32.548 31.700 0.011 0.000 0.876 27 D N -0.903 119.564 120.400 0.112 0.000 3.076 27 D HA -0.173 4.467 4.640 -0.000 0.000 0.218 27 D C -0.217 176.127 176.300 0.073 0.000 1.156 27 D CA 1.056 55.107 54.000 0.085 0.000 0.921 27 D CB -1.033 39.817 40.800 0.082 0.000 1.113 27 D HN 0.285 nan 8.370 nan 0.000 0.418 28 I N 1.131 121.755 120.570 0.089 0.000 2.436 28 I HA 0.208 4.378 4.170 -0.000 0.000 0.289 28 I C 0.101 176.229 176.117 0.018 0.000 1.010 28 I CA -0.497 60.815 61.300 0.021 0.000 1.098 28 I CB 1.884 39.873 38.000 -0.019 0.000 1.266 28 I HN -0.123 nan 8.210 nan 0.000 0.434 29 E N 6.850 127.045 120.200 -0.008 0.000 2.133 29 E HA 0.507 4.856 4.350 -0.000 0.000 0.274 29 E C -1.328 175.259 176.600 -0.022 0.000 0.930 29 E CA -0.542 55.858 56.400 0.001 0.000 0.770 29 E CB 0.951 30.658 29.700 0.011 0.000 1.104 29 E HN 0.511 nan 8.360 nan 0.000 0.403 30 L N 3.623 124.835 121.223 -0.019 0.000 2.399 30 L HA 0.434 4.773 4.340 -0.000 0.000 0.266 30 L C -0.531 176.296 176.870 -0.071 0.000 1.114 30 L CA -0.930 53.882 54.840 -0.047 0.000 0.804 30 L CB 1.589 43.625 42.059 -0.038 0.000 1.146 30 L HN 0.417 nan 8.230 nan 0.000 0.451 31 V N 3.986 123.831 119.914 -0.116 0.000 2.454 31 V HA 0.252 4.371 4.120 -0.000 0.000 0.267 31 V C 0.092 176.079 176.094 -0.179 0.000 0.993 31 V CA -0.434 61.742 62.300 -0.205 0.000 0.836 31 V CB 1.189 32.841 31.823 -0.285 0.000 1.055 31 V HN 0.504 nan 8.190 nan 0.000 0.452 32 L N 3.339 124.483 121.223 -0.132 0.000 2.453 32 L HA 0.363 4.703 4.340 -0.000 0.000 0.272 32 L C 0.161 176.977 176.870 -0.089 0.000 1.182 32 L CA 0.320 55.106 54.840 -0.090 0.000 0.858 32 L CB 0.754 42.784 42.059 -0.048 0.000 1.120 32 L HN 0.699 nan 8.230 nan 0.000 0.474 33 C N 3.121 122.387 119.300 -0.057 0.000 2.608 33 C HA 0.802 5.261 4.460 -0.000 0.000 0.325 33 C C -0.274 174.719 174.990 0.006 0.000 1.147 33 C CA -0.075 58.930 59.018 -0.021 0.000 1.359 33 C CB 1.531 29.272 27.740 0.002 0.000 1.912 33 C HN 0.934 nan 8.230 nan 0.000 0.466 34 T N 3.887 118.454 114.554 0.023 0.000 2.907 34 T HA 0.382 4.732 4.350 -0.000 0.000 0.344 34 T C 0.605 175.326 174.700 0.036 0.000 1.675 34 T CA -0.564 61.554 62.100 0.030 0.000 1.076 34 T CB 1.183 70.065 68.868 0.023 0.000 1.483 34 T HN 0.783 nan 8.240 nan 0.000 0.487 35 R N 1.193 121.716 120.500 0.039 0.000 2.115 35 R HA 0.058 4.398 4.340 -0.000 0.000 0.226 35 R C 0.883 177.198 176.300 0.025 0.000 1.100 35 R CA 0.364 56.485 56.100 0.035 0.000 0.980 35 R CB -0.156 30.165 30.300 0.036 0.000 0.875 35 R HN 0.425 nan 8.270 nan 0.000 0.445 36 N N 2.433 121.147 118.700 0.024 0.000 2.399 36 N HA 0.008 4.748 4.740 -0.000 0.000 0.259 36 N C -1.689 173.834 175.510 0.021 0.000 1.160 36 N CA -1.415 51.647 53.050 0.021 0.000 0.946 36 N CB 1.339 39.839 38.487 0.021 0.000 1.156 36 N HN -0.018 nan 8.380 nan 0.000 0.489 37 P HA -0.150 nan 4.420 nan 0.000 0.218 37 P C 0.756 178.069 177.300 0.021 0.000 1.149 37 P CA 1.278 64.390 63.100 0.020 0.000 0.817 37 P CB 0.574 32.284 31.700 0.018 0.000 0.785 38 K N -0.228 120.184 120.400 0.020 0.000 2.025 38 K HA -0.050 4.270 4.320 -0.000 0.000 0.207 38 K C 2.232 178.847 176.600 0.025 0.000 1.049 38 K CA 1.228 57.527 56.287 0.021 0.000 0.933 38 K CB -0.755 31.756 32.500 0.018 0.000 0.714 38 K HN 0.001 nan 8.250 nan 0.000 0.438 39 V N 1.961 121.891 119.914 0.026 0.000 2.261 39 V HA -0.245 3.874 4.120 -0.000 0.000 0.246 39 V C 2.281 178.397 176.094 0.036 0.000 1.047 39 V CA 1.447 63.766 62.300 0.032 0.000 1.015 39 V CB -0.483 31.358 31.823 0.030 0.000 0.642 39 V HN 0.251 nan 8.190 nan 0.000 0.446 40 L N 1.495 122.736 121.223 0.030 0.000 1.997 40 L HA -0.167 4.173 4.340 -0.000 0.000 0.216 40 L C 2.342 179.233 176.870 0.036 0.000 1.074 40 L CA 2.731 57.589 54.840 0.029 0.000 0.763 40 L CB -1.392 40.680 42.059 0.022 0.000 0.890 40 L HN 0.294 nan 8.230 nan 0.000 0.434 41 G N -2.336 106.483 108.800 0.033 0.000 2.418 41 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.217 41 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.217 41 G C 1.418 176.343 174.900 0.041 0.000 1.158 41 G CA 1.190 46.310 45.100 0.034 0.000 0.771 41 G HN 0.472 nan 8.290 nan 0.000 0.545 42 T N 1.628 116.207 114.554 0.042 0.000 2.652 42 T HA -0.099 4.251 4.350 -0.000 0.000 0.267 42 T C 2.428 177.172 174.700 0.074 0.000 1.039 42 T CA 1.237 63.365 62.100 0.045 0.000 1.153 42 T CB -0.295 68.598 68.868 0.043 0.000 0.863 42 T HN 0.170 nan 8.240 nan 0.000 0.428 43 L N 0.896 122.179 121.223 0.101 0.000 1.994 43 L HA -0.098 4.242 4.340 -0.000 0.000 0.208 43 L C 3.161 180.153 176.870 0.203 0.000 1.071 43 L CA 1.365 56.316 54.840 0.185 0.000 0.745 43 L CB -0.910 41.226 42.059 0.128 0.000 0.892 43 L HN 0.248 nan 8.230 nan 0.000 0.431 44 A N -0.210 122.678 122.820 0.113 0.000 1.948 44 A HA -0.233 4.087 4.320 -0.000 0.000 0.220 44 A C 2.360 179.999 177.584 0.091 0.000 1.177 44 A CA 2.569 54.662 52.037 0.094 0.000 0.636 44 A CB -0.961 18.070 19.000 0.052 0.000 0.815 44 A HN 0.462 nan 8.150 nan 0.000 0.449 45 T N -0.965 113.629 114.554 0.067 0.000 2.732 45 T HA -0.085 4.265 4.350 -0.000 0.000 0.261 45 T C 2.083 176.789 174.700 0.009 0.000 1.040 45 T CA 1.184 63.305 62.100 0.035 0.000 1.145 45 T CB -0.223 68.657 68.868 0.019 0.000 0.866 45 T HN 0.473 nan 8.240 nan 0.000 0.427 46 R N 0.041 120.535 120.500 -0.009 0.000 2.096 46 R HA -0.114 4.225 4.340 -0.000 0.000 0.240 46 R C 1.427 177.545 176.300 -0.303 0.000 1.139 46 R CA 1.627 57.626 56.100 -0.168 0.000 0.952 46 R CB -0.292 29.874 30.300 -0.223 0.000 0.854 46 R HN 0.472 nan 8.270 nan 0.000 0.436 47 Y N -0.309 119.996 120.300 0.009 0.000 2.532 47 Y HA 0.245 4.795 4.550 -0.000 0.000 0.283 47 Y C -0.131 175.777 175.900 0.013 0.000 1.181 47 Y CA -0.411 57.696 58.100 0.012 0.000 1.256 47 Y CB 0.161 38.629 38.460 0.014 0.000 1.112 47 Y HN -0.078 nan 8.280 nan 0.000 0.521 48 R N 0.576 121.128 120.500 0.086 0.000 2.837 48 R HA -0.122 4.217 4.340 -0.000 0.000 0.264 48 R C -1.690 174.657 176.300 0.079 0.000 0.906 48 R CA 0.226 56.364 56.100 0.064 0.000 0.711 48 R CB -1.363 28.961 30.300 0.040 0.000 1.701 48 R HN 0.041 nan 8.270 nan 0.000 0.514 49 V N 1.733 121.692 119.914 0.076 0.000 2.443 49 V HA 0.151 4.271 4.120 -0.000 0.000 0.293 49 V C 0.809 176.928 176.094 0.042 0.000 1.021 49 V CA -0.297 62.037 62.300 0.057 0.000 0.848 49 V CB 2.074 33.928 31.823 0.052 0.000 0.998 49 V HN 0.598 nan 8.190 nan 0.000 0.424 50 S N 2.926 118.651 115.700 0.042 0.000 2.395 50 S HA 0.056 4.526 4.470 -0.000 0.000 0.225 50 S C 1.269 175.900 174.600 0.053 0.000 1.027 50 S CA 0.790 59.020 58.200 0.050 0.000 0.965 50 S CB 0.108 63.343 63.200 0.058 0.000 0.812 50 S HN 0.928 nan 8.310 nan 0.000 0.482 51 A N 2.572 125.408 122.820 0.026 0.000 2.545 51 A HA 0.457 4.777 4.320 -0.000 0.000 0.297 51 A C 0.124 177.633 177.584 -0.126 0.000 1.340 51 A CA 0.088 52.095 52.037 -0.049 0.000 1.016 51 A CB -0.273 18.643 19.000 -0.139 0.000 1.122 51 A HN 0.191 nan 8.150 nan 0.000 0.537 52 T N 1.656 116.171 114.554 -0.066 0.000 2.855 52 T HA 0.550 4.900 4.350 -0.000 0.000 0.281 52 T C -0.792 173.878 174.700 -0.049 0.000 1.007 52 T CA -0.326 61.746 62.100 -0.047 0.000 1.009 52 T CB 1.237 70.114 68.868 0.015 0.000 0.983 52 T HN 0.860 nan 8.240 nan 0.000 0.455 53 C N 1.788 121.059 119.300 -0.047 0.000 2.985 53 C HA 0.689 5.149 4.460 -0.000 0.000 0.332 53 C C 1.329 176.328 174.990 0.014 0.000 1.164 53 C CA -0.299 58.714 59.018 -0.008 0.000 1.347 53 C CB 1.345 29.043 27.740 -0.070 0.000 1.764 53 C HN 1.001 nan 8.230 nan 0.000 0.489 54 T N 0.601 115.173 114.554 0.029 0.000 2.978 54 T HA 0.229 4.579 4.350 -0.000 0.000 0.248 54 T C -0.055 174.661 174.700 0.026 0.000 1.018 54 T CA 0.718 62.834 62.100 0.026 0.000 1.026 54 T CB -0.294 68.585 68.868 0.020 0.000 1.032 54 T HN 0.776 nan 8.240 nan 0.000 0.485 55 D N 1.054 121.456 120.400 0.003 0.000 2.441 55 D HA 0.150 4.789 4.640 -0.000 0.000 0.231 55 D C 1.044 177.295 176.300 -0.082 0.000 1.073 55 D CA -0.724 53.233 54.000 -0.071 0.000 0.850 55 D CB 1.018 41.736 40.800 -0.137 0.000 1.062 55 D HN 0.465 nan 8.370 nan 0.000 0.524 56 Y N 3.709 123.991 120.300 -0.030 0.000 2.405 56 Y HA -0.200 4.350 4.550 -0.000 0.000 0.282 56 Y C 1.539 177.417 175.900 -0.035 0.000 1.182 56 Y CA 1.144 59.257 58.100 0.022 0.000 1.312 56 Y CB -0.377 38.095 38.460 0.020 0.000 0.971 56 Y HN 0.263 nan 8.280 nan 0.000 0.560 57 R N 0.329 120.419 120.500 -0.683 0.000 2.153 57 R HA -0.059 4.281 4.340 -0.000 0.000 0.218 57 R C 0.861 177.115 176.300 -0.076 0.000 1.072 57 R CA 0.966 56.744 56.100 -0.537 0.000 0.990 57 R CB -0.179 29.713 30.300 -0.680 0.000 0.889 57 R HN 0.429 nan 8.270 nan 0.000 0.452 58 D N 0.683 121.069 120.400 -0.022 0.000 2.363 58 D HA -0.034 4.606 4.640 -0.000 0.000 0.226 58 D C 1.515 177.996 176.300 0.302 0.000 1.020 58 D CA 0.464 54.532 54.000 0.114 0.000 0.892 58 D CB 0.388 41.255 40.800 0.111 0.000 0.900 58 D HN 0.020 nan 8.370 nan 0.000 0.531 59 V N 0.668 120.770 119.914 0.314 0.000 2.548 59 V HA -0.155 3.964 4.120 -0.000 0.000 0.249 59 V C 2.544 178.907 176.094 0.449 0.000 1.055 59 V CA 0.700 63.253 62.300 0.421 0.000 1.065 59 V CB -0.291 31.812 31.823 0.467 0.000 0.681 59 V HN 0.250 nan 8.190 nan 0.000 0.462 60 L N -0.182 121.236 121.223 0.324 0.000 2.263 60 L HA -0.233 4.106 4.340 -0.000 0.000 0.216 60 L C 2.055 179.005 176.870 0.134 0.000 1.111 60 L CA 1.386 56.350 54.840 0.207 0.000 0.773 60 L CB -0.532 41.602 42.059 0.126 0.000 0.906 60 L HN 0.420 nan 8.230 nan 0.000 0.439 61 Q N -1.203 118.662 119.800 0.107 0.000 2.265 61 Q HA -0.023 4.317 4.340 -0.000 0.000 0.217 61 Q C -0.079 175.689 176.000 -0.387 0.000 0.916 61 Q CA 0.273 55.992 55.803 -0.141 0.000 0.948 61 Q CB 0.224 28.813 28.738 -0.249 0.000 1.020 61 Q HN 0.502 nan 8.270 nan 0.000 0.462 62 Y N -1.868 118.461 120.300 0.048 0.000 2.728 62 Y HA 0.246 4.796 4.550 -0.000 0.000 0.256 62 Y C 1.029 176.948 175.900 0.032 0.000 1.112 62 Y CA -0.428 57.695 58.100 0.038 0.000 1.240 62 Y CB 0.925 39.410 38.460 0.043 0.000 1.337 62 Y HN 0.104 nan 8.280 nan 0.000 0.559 63 G N 2.099 110.982 108.800 0.139 0.000 2.247 63 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.265 63 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.265 63 G C -0.180 174.774 174.900 0.091 0.000 0.861 63 G CA 0.413 45.566 45.100 0.090 0.000 1.289 63 G HN 0.146 nan 8.290 nan 0.000 0.403 64 V N 1.403 121.382 119.914 0.108 0.000 2.785 64 V HA 0.247 4.367 4.120 -0.000 0.000 0.300 64 V C 1.156 177.265 176.094 0.025 0.000 1.062 64 V CA -0.224 62.113 62.300 0.062 0.000 1.029 64 V CB 1.623 33.484 31.823 0.062 0.000 1.024 64 V HN 0.492 nan 8.190 nan 0.000 0.477 65 D N 1.846 122.232 120.400 -0.023 0.000 2.347 65 D HA 0.354 4.994 4.640 -0.000 0.000 0.213 65 D C 0.483 176.740 176.300 -0.071 0.000 0.985 65 D CA 1.146 55.113 54.000 -0.056 0.000 0.879 65 D CB 0.917 41.655 40.800 -0.103 0.000 0.919 65 D HN 0.701 nan 8.370 nan 0.000 0.526 66 A N -0.090 122.698 122.820 -0.053 0.000 2.550 66 A HA 0.443 4.762 4.320 -0.000 0.000 0.295 66 A C -0.853 176.725 177.584 -0.010 0.000 1.001 66 A CA -0.663 51.371 52.037 -0.006 0.000 0.660 66 A CB 0.561 19.515 19.000 -0.078 0.000 1.308 66 A HN -0.008 nan 8.150 nan 0.000 0.426 70 H N 3.538 122.528 119.070 -0.132 0.000 2.674 70 H HA 0.494 5.050 4.556 -0.000 0.000 0.274 70 H C 0.762 176.106 175.328 0.027 0.000 1.121 70 H CA -0.027 55.978 56.048 -0.071 0.000 1.132 70 H CB 0.683 30.384 29.762 -0.100 0.000 1.606 70 H HN 0.664 nan 8.280 nan 0.000 0.558 71 A N 1.157 124.047 122.820 0.117 0.000 2.292 71 A HA 0.600 4.920 4.320 -0.000 0.000 0.265 71 A C 0.757 178.417 177.584 0.126 0.000 1.133 71 A CA 0.148 52.247 52.037 0.103 0.000 0.807 71 A CB 0.038 19.067 19.000 0.049 0.000 1.102 71 A HN 0.361 nan 8.150 nan 0.000 0.502 72 A N -0.939 121.886 122.820 0.008 0.000 2.406 72 A HA 0.420 4.740 4.320 -0.000 0.000 0.243 72 A C 1.409 178.758 177.584 -0.391 0.000 1.082 72 A CA 0.491 52.463 52.037 -0.108 0.000 0.786 72 A CB -0.585 18.366 19.000 -0.081 0.000 1.029 72 A HN 0.936 nan 8.150 nan 0.000 0.495 73 T N 0.920 115.119 114.554 -0.591 0.000 2.699 73 T HA -0.170 4.180 4.350 -0.000 0.000 0.268 73 T C 1.232 175.648 174.700 -0.474 0.000 1.036 73 T CA 1.899 63.445 62.100 -0.922 0.000 1.147 73 T CB -0.458 68.141 68.868 -0.449 0.000 0.862 73 T HN 0.726 nan 8.240 nan 0.000 0.446 74 D N 0.979 121.224 120.400 -0.259 0.000 2.170 74 D HA -0.114 4.526 4.640 -0.000 0.000 0.193 74 D C 1.880 178.112 176.300 -0.114 0.000 1.004 74 D CA 1.620 55.529 54.000 -0.150 0.000 0.860 74 D CB -0.309 40.429 40.800 -0.103 0.000 0.931 74 D HN 0.517 nan 8.370 nan 0.000 0.448 75 V N -2.858 116.993 119.914 -0.105 0.000 3.121 75 V HA 0.209 4.329 4.120 -0.000 0.000 0.344 75 V C 1.457 177.558 176.094 0.011 0.000 1.390 75 V CA -0.175 62.091 62.300 -0.057 0.000 1.177 75 V CB -0.347 31.438 31.823 -0.063 0.000 1.163 75 V HN 0.124 nan 8.190 nan 0.000 0.484 76 H N 1.970 120.979 119.070 -0.101 0.000 2.261 76 H HA -0.125 4.431 4.556 -0.000 0.000 0.301 76 H C 2.672 177.934 175.328 -0.110 0.000 1.067 76 H CA 2.005 57.984 56.048 -0.114 0.000 1.297 76 H CB 0.096 29.789 29.762 -0.116 0.000 1.377 76 H HN 0.689 nan 8.280 nan 0.000 0.492 77 S N 0.335 116.064 115.700 0.048 0.000 2.359 77 S HA -0.231 4.238 4.470 -0.000 0.000 0.222 77 S C 2.175 176.762 174.600 -0.021 0.000 1.038 77 S CA 1.930 60.120 58.200 -0.017 0.000 1.051 77 S CB -1.052 62.130 63.200 -0.030 0.000 0.944 77 S HN 0.338 nan 8.310 nan 0.000 0.433 78 T N 3.293 117.828 114.554 -0.031 0.000 2.592 78 T HA -0.114 4.236 4.350 -0.000 0.000 0.267 78 T C 1.766 176.436 174.700 -0.049 0.000 1.060 78 T CA 2.018 64.093 62.100 -0.042 0.000 1.167 78 T CB -0.772 68.055 68.868 -0.069 0.000 0.863 78 T HN 0.349 nan 8.240 nan 0.000 0.431 79 L N 0.401 121.554 121.223 -0.117 0.000 2.093 79 L HA -0.065 4.275 4.340 -0.000 0.000 0.208 79 L C 3.051 180.024 176.870 0.172 0.000 1.085 79 L CA 1.145 55.918 54.840 -0.110 0.000 0.755 79 L CB -0.744 41.205 42.059 -0.185 0.000 0.904 79 L HN 0.270 nan 8.230 nan 0.000 0.435 80 A N 0.341 123.198 122.820 0.061 0.000 1.858 80 A HA -0.175 4.145 4.320 -0.000 0.000 0.216 80 A C 2.560 180.211 177.584 0.112 0.000 1.190 80 A CA 1.768 53.839 52.037 0.055 0.000 0.617 80 A CB -0.805 18.145 19.000 -0.084 0.000 0.827 80 A HN 0.378 nan 8.150 nan 0.000 0.443 81 A N -1.308 121.548 122.820 0.061 0.000 1.940 81 A HA -0.105 4.215 4.320 -0.000 0.000 0.219 81 A C 2.043 179.707 177.584 0.133 0.000 1.176 81 A CA 1.730 53.792 52.037 0.042 0.000 0.631 81 A CB -0.756 18.233 19.000 -0.020 0.000 0.814 81 A HN 0.720 nan 8.150 nan 0.000 0.446 82 F N -0.371 119.604 119.950 0.043 0.000 2.095 82 F HA -0.156 4.371 4.527 -0.000 0.000 0.298 82 F C 1.798 177.581 175.800 -0.028 0.000 1.104 82 F CA 1.864 59.901 58.000 0.061 0.000 1.232 82 F CB -0.344 38.599 39.000 -0.095 0.000 0.987 82 F HN 0.215 nan 8.300 nan 0.000 0.475 83 F N -0.228 119.764 119.950 0.071 0.000 2.367 83 F HA -0.019 4.508 4.527 -0.000 0.000 0.298 83 F C 2.135 177.834 175.800 -0.168 0.000 1.094 83 F CA 0.666 58.610 58.000 -0.094 0.000 1.409 83 F CB -0.666 38.370 39.000 0.061 0.000 1.064 83 F HN -0.068 nan 8.300 nan 0.000 0.528 84 L N -0.130 121.127 121.223 0.056 0.000 2.005 84 L HA -0.228 4.112 4.340 -0.000 0.000 0.207 84 L C 2.698 179.353 176.870 -0.359 0.000 1.072 84 L CA 1.506 56.305 54.840 -0.068 0.000 0.744 84 L CB -0.983 41.060 42.059 -0.026 0.000 0.895 84 L HN 0.321 nan 8.230 nan 0.000 0.433 85 H N -0.074 118.649 119.070 -0.579 0.000 2.568 85 H HA -0.030 4.525 4.556 -0.000 0.000 0.275 85 H C 1.226 176.137 175.328 -0.695 0.000 1.028 85 H CA 0.662 56.063 56.048 -1.078 0.000 1.173 85 H CB -0.125 29.355 29.762 -0.469 0.000 1.335 85 H HN 0.366 nan 8.280 nan 0.000 0.614 86 L N 0.250 120.967 121.223 -0.842 0.000 3.014 86 L HA 0.272 4.611 4.340 -0.000 0.000 0.263 86 L C 0.856 177.531 176.870 -0.326 0.000 1.207 86 L CA 0.157 54.582 54.840 -0.691 0.000 1.017 86 L CB 0.550 42.118 42.059 -0.818 0.000 1.360 86 L HN 0.490 nan 8.230 nan 0.000 0.560 87 G N 1.755 110.404 108.800 -0.251 0.000 2.359 87 G HA2 -0.270 3.689 3.960 -0.000 0.000 0.298 87 G HA3 -0.270 3.689 3.960 -0.000 0.000 0.298 87 G C -0.254 174.637 174.900 -0.017 0.000 1.030 87 G CA 0.160 45.216 45.100 -0.073 0.000 1.149 87 G HN 0.341 nan 8.290 nan 0.000 0.512 88 I N -0.156 120.423 120.570 0.015 0.000 2.512 88 I HA 0.273 4.443 4.170 -0.000 0.000 0.287 88 I C -2.393 173.788 176.117 0.107 0.000 1.069 88 I CA -2.617 58.732 61.300 0.081 0.000 1.056 88 I CB 2.682 40.788 38.000 0.176 0.000 1.229 88 I HN -0.129 nan 8.210 nan 0.000 0.429 89 P HA 0.039 nan 4.420 nan 0.000 0.264 89 P C -0.807 176.655 177.300 0.270 0.000 1.183 89 P CA 0.361 63.576 63.100 0.192 0.000 0.763 89 P CB 0.458 32.238 31.700 0.133 0.000 0.807 90 T N 3.662 118.369 114.554 0.254 0.000 2.841 90 T HA 0.470 4.820 4.350 -0.000 0.000 0.285 90 T C -0.976 173.656 174.700 -0.112 0.000 0.991 90 T CA -0.260 61.886 62.100 0.078 0.000 0.966 90 T CB 0.460 69.316 68.868 -0.020 0.000 0.962 90 T HN 0.153 nan 8.240 nan 0.000 0.438 91 F N 3.769 123.371 119.950 -0.579 0.000 2.450 91 F HA 0.770 5.296 4.527 -0.000 0.000 0.332 91 F C -1.053 174.372 175.800 -0.624 0.000 1.093 91 F CA -0.526 56.918 58.000 -0.927 0.000 1.003 91 F CB 0.999 38.969 39.000 -1.716 0.000 1.151 91 F HN 0.318 nan 8.300 nan 0.000 0.474 92 V N 4.577 123.841 119.914 -1.083 0.000 2.808 92 V HA 0.237 4.357 4.120 -0.000 0.000 0.308 92 V C -0.938 174.626 176.094 -0.883 0.000 1.099 92 V CA -1.110 60.696 62.300 -0.824 0.000 0.920 92 V CB 1.850 33.261 31.823 -0.686 0.000 1.014 92 V HN 0.665 nan 8.190 nan 0.000 0.425 93 D N 2.703 122.791 120.400 -0.519 0.000 2.372 93 D HA 0.247 4.887 4.640 -0.000 0.000 0.243 93 D C 0.036 176.192 176.300 -0.239 0.000 1.121 93 D CA -0.269 53.588 54.000 -0.237 0.000 0.898 93 D CB 1.363 42.217 40.800 0.090 0.000 1.202 93 D HN 0.657 nan 8.370 nan 0.000 0.428 94 K N 1.536 121.753 120.400 -0.304 0.000 2.326 94 K HA 0.319 4.639 4.320 -0.000 0.000 0.275 94 K C -2.480 174.103 176.600 -0.029 0.000 1.018 94 K CA -1.155 54.937 56.287 -0.325 0.000 0.962 94 K CB -0.138 31.889 32.500 -0.787 0.000 0.953 94 K HN 0.077 nan 8.250 nan 0.000 0.475 95 P HA 0.035 nan 4.420 nan 0.000 0.282 95 P C 0.267 177.701 177.300 0.223 0.000 1.249 95 P CA -0.746 62.518 63.100 0.273 0.000 0.806 95 P CB 1.144 33.117 31.700 0.454 0.000 0.984 96 L N 2.020 123.285 121.223 0.069 0.000 2.013 96 L HA -0.053 4.287 4.340 -0.000 0.000 0.212 96 L C 0.756 177.623 176.870 -0.005 0.000 1.073 96 L CA 2.381 57.130 54.840 -0.151 0.000 0.753 96 L CB -1.025 40.816 42.059 -0.363 0.000 0.890 96 L HN 0.623 nan 8.230 nan 0.000 0.432 97 A N -2.998 119.799 122.820 -0.037 0.000 2.564 97 A HA 0.735 5.055 4.320 -0.000 0.000 0.288 97 A C 0.583 178.150 177.584 -0.028 0.000 1.164 97 A CA -0.127 51.900 52.037 -0.016 0.000 0.712 97 A CB 0.521 19.479 19.000 -0.070 0.000 1.303 97 A HN 0.229 nan 8.150 nan 0.000 0.418 98 A N -0.262 122.470 122.820 -0.148 0.000 2.169 98 A HA 0.471 4.791 4.320 -0.000 0.000 0.212 98 A C 0.997 178.209 177.584 -0.620 0.000 1.153 98 A CA 1.486 53.322 52.037 -0.334 0.000 0.756 98 A CB -0.592 18.252 19.000 -0.260 0.000 0.813 98 A HN 2.005 nan 8.150 nan 0.000 0.471 99 S N -3.480 112.025 115.700 -0.325 0.000 2.588 99 S HA 0.661 5.131 4.470 -0.000 0.000 0.275 99 S C 0.675 175.306 174.600 0.053 0.000 1.130 99 S CA -0.064 58.005 58.200 -0.219 0.000 0.855 99 S CB 1.447 64.561 63.200 -0.143 0.000 1.116 99 S HN 0.814 nan 8.310 nan 0.000 0.472 100 A N 0.908 123.841 122.820 0.189 0.000 1.933 100 A HA -0.072 4.247 4.320 -0.000 0.000 0.218 100 A C 2.113 179.751 177.584 0.089 0.000 1.175 100 A CA 1.760 53.912 52.037 0.192 0.000 0.628 100 A CB -1.090 18.029 19.000 0.198 0.000 0.814 100 A HN 0.901 nan 8.150 nan 0.000 0.444 101 Q N -1.013 118.818 119.800 0.052 0.000 2.084 101 Q HA -0.198 4.142 4.340 -0.000 0.000 0.202 101 Q C 1.954 177.963 176.000 0.015 0.000 0.978 101 Q CA 1.438 57.257 55.803 0.028 0.000 0.844 101 Q CB -0.070 28.675 28.738 0.011 0.000 0.898 101 Q HN 0.562 nan 8.270 nan 0.000 0.426 102 E N -0.352 119.845 120.200 -0.004 0.000 2.204 102 E HA -0.139 4.211 4.350 -0.000 0.000 0.194 102 E C 1.933 178.524 176.600 -0.015 0.000 0.989 102 E CA 0.500 56.889 56.400 -0.020 0.000 0.824 102 E CB -0.204 29.469 29.700 -0.044 0.000 0.756 102 E HN 0.417 nan 8.360 nan 0.000 0.477 103 C N 0.681 119.978 119.300 -0.005 0.000 2.453 103 C HA -0.091 4.369 4.460 -0.000 0.000 0.277 103 C C 2.419 177.480 174.990 0.119 0.000 1.262 103 C CA 0.691 59.713 59.018 0.006 0.000 1.718 103 C CB -0.676 27.043 27.740 -0.035 0.000 2.031 103 C HN 0.509 nan 8.230 nan 0.000 0.480 104 E N 1.017 121.273 120.200 0.094 0.000 2.051 104 E HA -0.186 4.164 4.350 -0.000 0.000 0.192 104 E C 1.809 178.465 176.600 0.095 0.000 0.991 104 E CA 1.186 57.648 56.400 0.102 0.000 0.799 104 E CB -0.329 29.406 29.700 0.059 0.000 0.748 104 E HN 0.599 nan 8.360 nan 0.000 0.449 105 N N 1.172 119.901 118.700 0.049 0.000 2.069 105 N HA -0.156 4.584 4.740 -0.000 0.000 0.191 105 N C 2.028 177.552 175.510 0.023 0.000 1.031 105 N CA 0.929 53.996 53.050 0.029 0.000 0.852 105 N CB -0.453 38.037 38.487 0.006 0.000 1.018 105 N HN 0.137 nan 8.380 nan 0.000 0.423 106 L N -0.423 120.797 121.223 -0.005 0.000 2.012 106 L HA -0.209 4.130 4.340 -0.000 0.000 0.210 106 L C 2.095 178.908 176.870 -0.095 0.000 1.073 106 L CA 1.375 56.169 54.840 -0.076 0.000 0.748 106 L CB -0.484 41.481 42.059 -0.156 0.000 0.891 106 L HN 0.188 nan 8.230 nan 0.000 0.431 107 Y N -0.076 120.215 120.300 -0.014 0.000 2.352 107 Y HA -0.203 4.347 4.550 -0.000 0.000 0.292 107 Y C 2.566 178.472 175.900 0.010 0.000 1.136 107 Y CA 1.064 59.164 58.100 -0.001 0.000 1.227 107 Y CB 0.004 38.460 38.460 -0.006 0.000 0.991 107 Y HN 0.220 nan 8.280 nan 0.000 0.545 108 E N -0.267 120.015 120.200 0.137 0.000 2.047 108 E HA -0.225 4.125 4.350 -0.000 0.000 0.191 108 E C 1.994 178.626 176.600 0.054 0.000 0.987 108 E CA 1.161 57.608 56.400 0.079 0.000 0.799 108 E CB -0.280 29.450 29.700 0.050 0.000 0.752 108 E HN 0.298 nan 8.360 nan 0.000 0.449 109 L N 0.873 122.130 121.223 0.056 0.000 2.083 109 L HA -0.124 4.216 4.340 -0.000 0.000 0.209 109 L C 2.150 179.110 176.870 0.149 0.000 1.083 109 L CA 1.844 56.747 54.840 0.104 0.000 0.752 109 L CB -0.427 41.684 42.059 0.087 0.000 0.899 109 L HN 0.031 nan 8.230 nan 0.000 0.433 110 A N -1.073 121.789 122.820 0.070 0.000 1.972 110 A HA -0.195 4.125 4.320 -0.000 0.000 0.219 110 A C 2.206 179.841 177.584 0.085 0.000 1.169 110 A CA 1.766 53.842 52.037 0.065 0.000 0.635 110 A CB -0.492 18.499 19.000 -0.016 0.000 0.810 110 A HN 0.607 nan 8.150 nan 0.000 0.446 111 E N -0.864 119.375 120.200 0.066 0.000 2.112 111 E HA -0.119 4.231 4.350 -0.000 0.000 0.190 111 E C 1.803 178.300 176.600 -0.171 0.000 0.979 111 E CA 0.894 57.301 56.400 0.012 0.000 0.814 111 E CB -0.046 29.683 29.700 0.048 0.000 0.762 111 E HN 0.349 nan 8.360 nan 0.000 0.460 112 K N 0.203 120.509 120.400 -0.156 0.000 2.519 112 K HA -0.108 4.211 4.320 -0.000 0.000 0.196 112 K C 0.971 177.236 176.600 -0.558 0.000 1.041 112 K CA 1.040 57.130 56.287 -0.327 0.000 0.954 112 K CB 0.029 32.372 32.500 -0.262 0.000 0.774 112 K HN 0.217 nan 8.250 nan 0.000 0.480 113 H N -1.711 117.210 119.070 -0.247 0.000 3.058 113 H HA 0.132 4.688 4.556 -0.000 0.000 0.266 113 H C -0.466 174.798 175.328 -0.107 0.000 1.135 113 H CA 0.013 55.957 56.048 -0.172 0.000 1.174 113 H CB 0.488 30.218 29.762 -0.052 0.000 1.581 113 H HN 0.246 nan 8.280 nan 0.000 0.553 114 H N 0.485 119.626 119.070 0.118 0.000 2.791 114 H HA -0.134 4.422 4.556 -0.000 0.000 0.302 114 H C -0.188 175.200 175.328 0.101 0.000 1.198 114 H CA 0.529 56.632 56.048 0.091 0.000 1.145 114 H CB -1.479 28.321 29.762 0.064 0.000 1.385 114 H HN 0.430 nan 8.280 nan 0.000 0.409 115 Q N 0.601 120.506 119.800 0.176 0.000 2.306 115 Q HA 0.423 4.762 4.340 -0.000 0.000 0.265 115 Q C -2.051 174.034 176.000 0.142 0.000 1.022 115 Q CA -1.786 54.103 55.803 0.144 0.000 0.853 115 Q CB 2.366 31.168 28.738 0.107 0.000 1.327 115 Q HN 0.173 nan 8.270 nan 0.000 0.449 116 P HA 0.271 nan 4.420 nan 0.000 0.281 116 P C -0.874 176.530 177.300 0.174 0.000 1.249 116 P CA -0.603 62.618 63.100 0.201 0.000 0.810 116 P CB 0.953 32.803 31.700 0.249 0.000 1.008 117 L N 3.754 125.057 121.223 0.135 0.000 2.454 117 L HA 0.396 4.735 4.340 -0.000 0.000 0.258 117 L C -1.419 175.474 176.870 0.039 0.000 1.025 117 L CA -1.026 53.783 54.840 -0.052 0.000 0.901 117 L CB 0.397 42.173 42.059 -0.470 0.000 1.210 117 L HN 0.230 nan 8.230 nan 0.000 0.457 118 Y N 3.781 124.024 120.300 -0.094 0.000 2.316 118 Y HA 0.600 5.150 4.550 -0.000 0.000 0.331 118 Y C -0.426 175.181 175.900 -0.488 0.000 1.083 118 Y CA -0.152 57.865 58.100 -0.139 0.000 1.206 118 Y CB 1.244 39.687 38.460 -0.027 0.000 1.195 118 Y HN 0.346 nan 8.280 nan 0.000 0.497 119 V N 5.877 125.496 119.914 -0.492 0.000 2.370 119 V HA 0.350 4.470 4.120 -0.000 0.000 0.283 119 V C 0.455 176.177 176.094 -0.620 0.000 1.023 119 V CA -0.724 61.237 62.300 -0.564 0.000 0.857 119 V CB 1.344 33.001 31.823 -0.278 0.000 0.985 119 V HN 1.018 nan 8.190 nan 0.000 0.443 120 G N 4.409 112.733 108.800 -0.794 0.000 2.469 120 G HA2 0.288 4.247 3.960 -0.000 0.000 0.293 120 G HA3 0.288 4.247 3.960 -0.000 0.000 0.293 120 G C -0.542 174.217 174.900 -0.236 0.000 0.982 120 G CA 0.145 45.058 45.100 -0.313 0.000 1.401 120 G HN 0.596 nan 8.290 nan 0.000 0.453 121 F N 3.053 123.038 119.950 0.058 0.000 2.453 121 F HA 0.152 4.679 4.527 -0.000 0.000 0.358 121 F C 1.622 177.446 175.800 0.040 0.000 1.129 121 F CA -1.225 56.792 58.000 0.028 0.000 1.200 121 F CB 1.061 40.017 39.000 -0.074 0.000 1.431 121 F HN 0.567 nan 8.300 nan 0.000 0.503 122 N N 2.098 120.854 118.700 0.093 0.000 2.137 122 N HA -0.227 4.513 4.740 -0.000 0.000 0.190 122 N C 1.215 176.661 175.510 -0.106 0.000 1.017 122 N CA 1.253 54.209 53.050 -0.158 0.000 0.859 122 N CB -0.226 37.784 38.487 -0.795 0.000 1.002 122 N HN 0.475 nan 8.380 nan 0.000 0.428 123 R N 0.269 120.716 120.500 -0.088 0.000 2.366 123 R HA 0.136 4.475 4.340 -0.000 0.000 0.201 123 R C 1.361 177.613 176.300 -0.080 0.000 1.057 123 R CA 0.279 56.340 56.100 -0.064 0.000 1.086 123 R CB -0.017 30.185 30.300 -0.164 0.000 0.914 123 R HN 0.356 nan 8.270 nan 0.000 0.476 124 R N -0.937 119.461 120.500 -0.170 0.000 2.365 124 R HA 0.113 4.453 4.340 -0.000 0.000 0.223 124 R C 0.244 176.246 176.300 -0.497 0.000 0.899 124 R CA 0.235 56.127 56.100 -0.345 0.000 1.059 124 R CB 0.635 30.629 30.300 -0.510 0.000 1.086 124 R HN 0.319 nan 8.270 nan 0.000 0.522 125 H N 0.472 119.547 119.070 0.009 0.000 2.562 125 H HA 0.208 4.764 4.556 -0.000 0.000 0.249 125 H C -0.201 175.081 175.328 -0.077 0.000 1.195 125 H CA -0.383 55.664 56.048 -0.002 0.000 0.938 125 H CB 0.716 30.491 29.762 0.022 0.000 1.891 125 H HN -0.088 nan 8.280 nan 0.000 0.595 126 I N 4.363 124.903 120.570 -0.050 0.000 2.421 126 I HA 0.023 4.192 4.170 -0.000 0.000 0.291 126 I C -1.053 174.974 176.117 -0.151 0.000 1.089 126 I CA -1.927 59.242 61.300 -0.219 0.000 1.354 126 I CB 0.837 38.551 38.000 -0.476 0.000 1.413 126 I HN -0.011 nan 8.210 nan 0.000 0.513 127 P HA -0.240 nan 4.420 nan 0.000 0.216 127 P C 1.738 179.007 177.300 -0.052 0.000 1.154 127 P CA 1.263 64.332 63.100 -0.051 0.000 0.865 127 P CB 0.501 32.183 31.700 -0.030 0.000 0.789 128 L N -1.649 119.523 121.223 -0.084 0.000 2.109 128 L HA -0.088 4.252 4.340 -0.000 0.000 0.207 128 L C 2.593 179.506 176.870 0.071 0.000 1.086 128 L CA 1.742 56.600 54.840 0.031 0.000 0.760 128 L CB -1.446 40.665 42.059 0.085 0.000 0.910 128 L HN -0.166 nan 8.230 nan 0.000 0.437 129 Y N -0.205 119.932 120.300 -0.271 0.000 2.220 129 Y HA -0.038 4.512 4.550 -0.000 0.000 0.291 129 Y C 2.395 178.203 175.900 -0.152 0.000 1.129 129 Y CA 0.919 58.781 58.100 -0.396 0.000 1.161 129 Y CB -1.364 36.874 38.460 -0.370 0.000 0.997 129 Y HN 0.393 nan 8.280 nan 0.000 0.522 130 N N 0.103 118.845 118.700 0.070 0.000 2.512 130 N HA -0.156 4.584 4.740 -0.000 0.000 0.183 130 N C 1.779 177.283 175.510 -0.010 0.000 1.073 130 N CA 0.318 53.393 53.050 0.042 0.000 0.911 130 N CB -0.036 38.478 38.487 0.045 0.000 0.964 130 N HN 0.481 nan 8.380 nan 0.000 0.447 131 Q N 0.334 120.096 119.800 -0.064 0.000 2.096 131 Q HA -0.076 4.263 4.340 -0.000 0.000 0.197 131 Q C 1.192 177.009 176.000 -0.306 0.000 0.964 131 Q CA 1.031 56.713 55.803 -0.203 0.000 0.838 131 Q CB 0.273 28.835 28.738 -0.294 0.000 0.906 131 Q HN 0.493 nan 8.270 nan 0.000 0.444 132 H N -0.898 118.184 119.070 0.019 0.000 2.575 132 H HA 0.228 4.784 4.556 -0.000 0.000 0.267 132 H C -0.103 175.111 175.328 -0.189 0.000 0.966 132 H CA 0.352 56.354 56.048 -0.076 0.000 1.165 132 H CB 0.722 30.406 29.762 -0.129 0.000 1.433 132 H HN 0.168 nan 8.280 nan 0.000 0.544 133 L N 1.367 122.587 121.223 -0.004 0.000 2.433 133 L HA 0.226 4.566 4.340 -0.000 0.000 0.256 133 L C 0.962 177.873 176.870 0.069 0.000 1.063 133 L CA -0.320 54.553 54.840 0.054 0.000 0.922 133 L CB 1.718 43.812 42.059 0.058 0.000 1.238 133 L HN -0.047 nan 8.230 nan 0.000 0.466 134 S N 0.405 116.139 115.700 0.056 0.000 2.374 134 S HA -0.204 4.266 4.470 -0.000 0.000 0.227 134 S C 1.560 176.201 174.600 0.069 0.000 1.037 134 S CA 1.508 59.737 58.200 0.048 0.000 1.024 134 S CB 0.006 63.225 63.200 0.031 0.000 0.861 134 S HN 0.645 nan 8.310 nan 0.000 0.456 135 E N 1.722 121.985 120.200 0.105 0.000 2.114 135 E HA -0.129 4.221 4.350 -0.000 0.000 0.199 135 E C 1.961 178.602 176.600 0.068 0.000 1.008 135 E CA 0.988 57.445 56.400 0.094 0.000 0.810 135 E CB -0.646 29.130 29.700 0.127 0.000 0.739 135 E HN 0.475 nan 8.360 nan 0.000 0.456 136 L N -0.241 121.027 121.223 0.075 0.000 2.093 136 L HA -0.117 4.223 4.340 -0.000 0.000 0.208 136 L C 2.313 179.208 176.870 0.041 0.000 1.085 136 L CA 1.088 55.968 54.840 0.066 0.000 0.755 136 L CB -0.491 41.633 42.059 0.108 0.000 0.904 136 L HN 0.161 nan 8.230 nan 0.000 0.435 137 A N -0.904 121.946 122.820 0.051 0.000 1.968 137 A HA -0.137 4.183 4.320 -0.000 0.000 0.217 137 A C 2.175 179.798 177.584 0.065 0.000 1.169 137 A CA 0.945 53.015 52.037 0.055 0.000 0.638 137 A CB -0.151 18.884 19.000 0.059 0.000 0.812 137 A HN 0.363 nan 8.150 nan 0.000 0.446 138 Q N -1.069 118.763 119.800 0.053 0.000 2.398 138 Q HA 0.010 4.350 4.340 -0.000 0.000 0.204 138 Q C -0.128 175.895 176.000 0.037 0.000 0.932 138 Q CA 0.600 56.428 55.803 0.041 0.000 0.916 138 Q CB 0.030 28.781 28.738 0.022 0.000 1.024 138 Q HN 0.782 nan 8.270 nan 0.000 0.504 139 Q N 0.156 119.984 119.800 0.046 0.000 2.502 139 Q HA -0.184 4.156 4.340 -0.000 0.000 0.273 139 Q C -0.708 175.312 176.000 0.033 0.000 1.127 139 Q CA 0.778 56.612 55.803 0.050 0.000 0.952 139 Q CB -1.273 27.543 28.738 0.130 0.000 1.333 139 Q HN 0.457 nan 8.270 nan 0.000 0.494 140 E N -1.398 118.814 120.200 0.021 0.000 2.370 140 E HA 0.317 4.666 4.350 -0.000 0.000 0.259 140 E C 0.298 176.917 176.600 0.031 0.000 0.947 140 E CA -0.689 55.721 56.400 0.017 0.000 0.809 140 E CB 1.111 30.814 29.700 0.005 0.000 1.300 140 E HN 0.155 nan 8.360 nan 0.000 0.419 141 C N 0.665 119.985 119.300 0.032 0.000 2.512 141 C HA 0.185 4.645 4.460 -0.000 0.000 0.276 141 C C 1.502 176.523 174.990 0.052 0.000 1.368 141 C CA 0.670 59.706 59.018 0.030 0.000 1.755 141 C CB -1.196 26.560 27.740 0.027 0.000 2.008 141 C HN 1.019 nan 8.230 nan 0.000 0.511 142 G N 1.207 110.043 108.800 0.060 0.000 2.652 142 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.318 142 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.318 142 G C 1.001 175.969 174.900 0.112 0.000 1.295 142 G CA 0.760 45.912 45.100 0.087 0.000 0.999 142 G HN 0.993 nan 8.290 nan 0.000 0.548 143 A N -0.463 122.472 122.820 0.192 0.000 2.251 143 A HA 0.597 4.917 4.320 -0.000 0.000 0.209 143 A C 1.325 179.070 177.584 0.268 0.000 1.187 143 A CA 0.470 52.652 52.037 0.241 0.000 0.823 143 A CB -0.196 18.966 19.000 0.270 0.000 0.846 143 A HN 0.700 nan 8.150 nan 0.000 0.486 144 L N 0.454 121.749 121.223 0.120 0.000 2.540 144 L HA 0.017 4.357 4.340 -0.000 0.000 0.276 144 L C 1.552 178.358 176.870 -0.107 0.000 1.212 144 L CA -0.424 54.305 54.840 -0.185 0.000 0.893 144 L CB 0.418 42.363 42.059 -0.190 0.000 1.138 144 L HN 0.296 nan 8.230 nan 0.000 0.491 145 R N 1.161 121.570 120.500 -0.152 0.000 2.206 145 R HA 0.159 4.499 4.340 -0.000 0.000 0.198 145 R C 0.236 176.480 176.300 -0.094 0.000 0.986 145 R CA 0.461 56.518 56.100 -0.073 0.000 1.029 145 R CB 0.335 30.614 30.300 -0.033 0.000 0.966 145 R HN 0.771 nan 8.270 nan 0.000 0.487 146 S N -0.487 115.128 115.700 -0.141 0.000 2.552 146 S HA 0.577 5.047 4.470 -0.000 0.000 0.272 146 S C -1.530 172.990 174.600 -0.134 0.000 1.150 146 S CA -0.972 57.160 58.200 -0.113 0.000 0.849 146 S CB 1.777 64.936 63.200 -0.067 0.000 1.113 146 S HN 0.002 nan 8.310 nan 0.000 0.458 147 L N 1.401 122.563 121.223 -0.102 0.000 2.562 147 L HA 0.703 5.043 4.340 -0.000 0.000 0.266 147 L C -0.965 175.882 176.870 -0.038 0.000 0.949 147 L CA -0.228 54.562 54.840 -0.082 0.000 0.879 147 L CB 1.982 43.991 42.059 -0.083 0.000 1.278 147 L HN 1.010 nan 8.230 nan 0.000 0.404 148 R N 4.636 125.116 120.500 -0.033 0.000 2.480 148 R HA 0.443 4.782 4.340 -0.000 0.000 0.306 148 R C -2.075 174.194 176.300 -0.052 0.000 0.958 148 R CA -0.619 55.455 56.100 -0.043 0.000 0.861 148 R CB 1.335 31.596 30.300 -0.063 0.000 1.171 148 R HN 0.726 nan 8.270 nan 0.000 0.445 149 W N 5.700 126.881 121.300 -0.198 0.000 2.393 149 W HA 0.342 5.002 4.660 -0.000 0.000 0.315 149 W C -1.203 175.174 176.519 -0.236 0.000 1.009 149 W CA -0.616 56.617 57.345 -0.186 0.000 1.313 149 W CB 1.384 30.747 29.460 -0.162 0.000 1.269 149 W HN 0.659 nan 8.180 nan 0.000 0.420 150 E N 4.151 124.279 120.200 -0.120 0.000 2.151 150 E HA 0.251 4.600 4.350 -0.000 0.000 0.275 150 E C -0.758 175.576 176.600 -0.443 0.000 0.936 150 E CA -0.602 55.597 56.400 -0.334 0.000 0.777 150 E CB 2.535 31.930 29.700 -0.508 0.000 1.108 150 E HN 0.162 nan 8.360 nan 0.000 0.401 151 K N 3.742 123.902 120.400 -0.400 0.000 2.604 151 K HA 0.227 4.547 4.320 -0.000 0.000 0.247 151 K C -1.153 175.280 176.600 -0.277 0.000 0.956 151 K CA -0.539 55.594 56.287 -0.257 0.000 0.896 151 K CB 0.544 33.063 32.500 0.032 0.000 1.131 151 K HN 0.512 nan 8.250 nan 0.000 0.440 152 H N 2.001 120.973 119.070 -0.164 0.000 2.693 152 H HA 0.606 5.162 4.556 -0.000 0.000 0.348 152 H C -0.256 175.073 175.328 0.001 0.000 1.222 152 H CA -0.742 55.218 56.048 -0.148 0.000 1.270 152 H CB 1.483 30.944 29.762 -0.500 0.000 1.798 152 H HN 0.477 nan 8.280 nan 0.000 0.592 153 R N -0.256 120.392 120.500 0.247 0.000 2.774 153 R HA 0.206 4.546 4.340 -0.000 0.000 0.272 153 R C -0.862 175.614 176.300 0.292 0.000 1.000 153 R CA -0.829 55.404 56.100 0.223 0.000 0.906 153 R CB 2.533 32.914 30.300 0.135 0.000 1.227 153 R HN 0.606 nan 8.270 nan 0.000 0.468 154 H N 1.280 120.450 119.070 0.166 0.000 2.488 154 H HA 0.308 4.864 4.556 -0.000 0.000 0.322 154 H C -0.382 175.011 175.328 0.107 0.000 1.078 154 H CA 0.478 56.610 56.048 0.140 0.000 1.260 154 H CB 1.436 31.262 29.762 0.107 0.000 1.425 154 H HN 0.874 nan 8.280 nan 0.000 0.471 155 A N 4.881 127.449 122.820 -0.419 0.000 2.091 155 A HA -0.204 4.115 4.320 -0.000 0.000 0.270 155 A C -0.099 177.449 177.584 -0.060 0.000 1.368 155 A CA 1.065 52.922 52.037 -0.300 0.000 0.745 155 A CB -1.874 16.830 19.000 -0.493 0.000 1.173 155 A HN 0.760 nan 8.150 nan 0.000 0.322 156 L N 1.944 123.179 121.223 0.020 0.000 2.625 156 L HA 0.282 4.622 4.340 -0.000 0.000 0.295 156 L C -2.285 174.644 176.870 0.099 0.000 1.368 156 L CA -1.016 53.860 54.840 0.060 0.000 0.685 156 L CB 1.465 43.565 42.059 0.068 0.000 1.012 156 L HN 0.450 nan 8.230 nan 0.000 0.523 157 P HA 0.454 nan 4.420 nan 0.000 0.274 157 P C -0.273 177.138 177.300 0.185 0.000 1.256 157 P CA 0.106 63.322 63.100 0.193 0.000 0.795 157 P CB 1.757 33.539 31.700 0.138 0.000 1.038 158 G N -0.460 108.496 108.800 0.261 0.000 2.645 158 G HA2 0.354 4.314 3.960 -0.000 0.000 0.292 158 G HA3 0.354 4.314 3.960 -0.000 0.000 0.292 158 G C -1.360 173.629 174.900 0.149 0.000 1.415 158 G CA -0.572 44.647 45.100 0.199 0.000 0.785 158 G HN 0.650 nan 8.290 nan 0.000 0.483 159 D N -0.377 120.086 120.400 0.104 0.000 2.372 159 D HA 0.093 4.733 4.640 -0.000 0.000 0.243 159 D C 1.603 177.937 176.300 0.057 0.000 1.121 159 D CA -0.438 53.590 54.000 0.047 0.000 0.898 159 D CB 1.249 42.070 40.800 0.034 0.000 1.202 159 D HN 0.300 nan 8.370 nan 0.000 0.428 160 I N 1.515 122.063 120.570 -0.036 0.000 2.074 160 I HA -0.402 3.768 4.170 -0.000 0.000 0.238 160 I C 2.778 178.933 176.117 0.062 0.000 1.037 160 I CA 1.395 62.646 61.300 -0.082 0.000 1.301 160 I CB -0.437 37.482 38.000 -0.136 0.000 1.016 160 I HN 0.393 nan 8.210 nan 0.000 0.400 161 R N 0.454 121.002 120.500 0.079 0.000 2.122 161 R HA -0.191 4.149 4.340 -0.000 0.000 0.236 161 R C 2.336 178.782 176.300 0.243 0.000 1.129 161 R CA 2.547 58.740 56.100 0.156 0.000 0.925 161 R CB -1.422 28.902 30.300 0.040 0.000 0.850 161 R HN 0.439 nan 8.270 nan 0.000 0.431 162 T N 1.444 116.100 114.554 0.171 0.000 2.665 162 T HA -0.202 4.148 4.350 -0.000 0.000 0.268 162 T C 1.615 176.473 174.700 0.263 0.000 1.035 162 T CA 1.684 63.894 62.100 0.183 0.000 1.151 162 T CB -0.533 68.409 68.868 0.124 0.000 0.862 162 T HN 0.291 nan 8.240 nan 0.000 0.438 163 F N 1.596 121.603 119.950 0.094 0.000 2.065 163 F HA -0.233 4.293 4.527 -0.000 0.000 0.298 163 F C 2.281 178.162 175.800 0.135 0.000 1.112 163 F CA 1.313 59.369 58.000 0.094 0.000 1.212 163 F CB -0.315 38.708 39.000 0.038 0.000 0.975 163 F HN -0.074 nan 8.300 nan 0.000 0.476 164 V N -0.239 119.993 119.914 0.530 0.000 2.244 164 V HA -0.293 3.827 4.120 -0.000 0.000 0.244 164 V C 2.081 178.315 176.094 0.234 0.000 1.042 164 V CA 2.071 64.603 62.300 0.387 0.000 1.006 164 V CB -0.942 30.998 31.823 0.194 0.000 0.641 164 V HN 0.286 nan 8.190 nan 0.000 0.446 165 F N 0.244 120.294 119.950 0.167 0.000 2.234 165 F HA -0.093 4.434 4.527 -0.000 0.000 0.299 165 F C 2.287 178.132 175.800 0.074 0.000 1.087 165 F CA 1.564 59.635 58.000 0.119 0.000 1.340 165 F CB -0.222 38.839 39.000 0.101 0.000 1.031 165 F HN 0.200 nan 8.300 nan 0.000 0.500 166 D N -1.209 119.335 120.400 0.239 0.000 2.346 166 D HA -0.052 4.588 4.640 -0.000 0.000 0.206 166 D C 1.167 177.504 176.300 0.060 0.000 1.001 166 D CA 0.816 54.889 54.000 0.121 0.000 0.871 166 D CB 0.313 41.178 40.800 0.108 0.000 0.943 166 D HN 0.264 nan 8.370 nan 0.000 0.518 167 D N -1.053 119.390 120.400 0.073 0.000 3.050 167 D HA -0.014 4.625 4.640 -0.000 0.000 0.281 167 D C 1.289 177.641 176.300 0.087 0.000 1.246 167 D CA -0.243 53.788 54.000 0.051 0.000 1.073 167 D CB -0.226 40.536 40.800 -0.063 0.000 1.382 167 D HN -0.108 nan 8.370 nan 0.000 0.433 168 F N 1.646 121.573 119.950 -0.038 0.000 2.307 168 F HA -0.001 4.526 4.527 -0.000 0.000 0.301 168 F C 1.946 177.735 175.800 -0.019 0.000 1.076 168 F CA 0.782 58.798 58.000 0.027 0.000 1.383 168 F CB -0.207 38.902 39.000 0.182 0.000 1.055 168 F HN 0.044 nan 8.300 nan 0.000 0.526 169 I N -0.758 119.776 120.570 -0.059 0.000 2.454 169 I HA -0.342 3.828 4.170 -0.000 0.000 0.254 169 I C 2.443 178.402 176.117 -0.264 0.000 1.156 169 I CA 1.180 62.356 61.300 -0.207 0.000 1.433 169 I CB -0.438 37.475 38.000 -0.144 0.000 1.082 169 I HN 0.116 nan 8.210 nan 0.000 0.432 170 H N 1.334 120.294 119.070 -0.182 0.000 2.276 170 H HA -0.035 4.521 4.556 -0.000 0.000 0.301 170 H C -0.572 174.398 175.328 -0.597 0.000 1.073 170 H CA 1.911 57.807 56.048 -0.253 0.000 1.311 170 H CB -1.791 27.904 29.762 -0.112 0.000 1.379 170 H HN 0.354 nan 8.280 nan 0.000 0.494 171 P HA -0.115 nan 4.420 nan 0.000 0.216 171 P C 2.035 178.930 177.300 -0.674 0.000 1.153 171 P CA 0.802 63.457 63.100 -0.742 0.000 0.844 171 P CB -0.033 31.431 31.700 -0.393 0.000 0.787 172 L N 1.208 121.959 121.223 -0.786 0.000 2.012 172 L HA -0.186 4.154 4.340 -0.000 0.000 0.210 172 L C 2.176 178.817 176.870 -0.381 0.000 1.073 172 L CA 2.384 56.882 54.840 -0.570 0.000 0.748 172 L CB -1.672 40.025 42.059 -0.603 0.000 0.891 172 L HN -0.096 nan 8.230 nan 0.000 0.431 173 D N -1.742 118.349 120.400 -0.516 0.000 2.149 173 D HA -0.143 4.496 4.640 -0.000 0.000 0.201 173 D C 2.057 178.027 176.300 -0.550 0.000 0.972 173 D CA 1.278 54.920 54.000 -0.597 0.000 0.835 173 D CB 0.062 40.200 40.800 -1.103 0.000 0.966 173 D HN 0.352 nan 8.370 nan 0.000 0.476 174 S N -0.823 114.481 115.700 -0.660 0.000 2.399 174 S HA -0.110 4.359 4.470 -0.000 0.000 0.231 174 S C 1.839 176.230 174.600 -0.349 0.000 1.022 174 S CA 0.715 58.506 58.200 -0.682 0.000 0.983 174 S CB -0.068 62.217 63.200 -1.526 0.000 0.803 174 S HN 0.236 nan 8.310 nan 0.000 0.480 175 V N 1.988 121.736 119.914 -0.278 0.000 3.506 175 V HA 0.179 4.299 4.120 -0.000 0.000 0.263 175 V C 0.923 176.959 176.094 -0.096 0.000 1.203 175 V CA 0.421 62.649 62.300 -0.121 0.000 1.133 175 V CB -0.337 31.412 31.823 -0.124 0.000 0.802 175 V HN 0.321 nan 8.190 nan 0.000 0.459 176 N N 0.920 119.592 118.700 -0.046 0.000 2.926 176 N HA 0.052 4.791 4.740 -0.000 0.000 0.284 176 N C 1.194 176.746 175.510 0.069 0.000 1.303 176 N CA 0.305 53.431 53.050 0.127 0.000 1.062 176 N CB -0.650 37.866 38.487 0.048 0.000 1.389 176 N HN 0.493 nan 8.380 nan 0.000 0.538 177 L N -1.475 119.769 121.223 0.035 0.000 2.261 177 L HA -0.143 4.197 4.340 -0.000 0.000 0.216 177 L C 1.567 178.481 176.870 0.073 0.000 1.114 177 L CA 0.637 55.496 54.840 0.032 0.000 0.777 177 L CB -0.420 41.646 42.059 0.011 0.000 0.910 177 L HN 0.272 nan 8.230 nan 0.000 0.440 178 S N -0.573 115.217 115.700 0.149 0.000 2.495 178 S HA 0.268 4.738 4.470 -0.000 0.000 0.273 178 S C 0.902 175.574 174.600 0.119 0.000 1.156 178 S CA -0.496 57.803 58.200 0.166 0.000 1.032 178 S CB 0.735 64.123 63.200 0.312 0.000 1.160 178 S HN 0.122 nan 8.310 nan 0.000 0.489 179 R N 1.000 121.547 120.500 0.078 0.000 2.690 179 R HA 0.316 4.655 4.340 -0.000 0.000 0.419 179 R C -0.721 175.545 176.300 -0.058 0.000 1.090 179 R CA -0.387 55.719 56.100 0.009 0.000 1.064 179 R CB -0.405 29.896 30.300 0.002 0.000 1.391 179 R HN 0.574 nan 8.270 nan 0.000 0.586 180 Q N 0.691 120.428 119.800 -0.105 0.000 2.308 180 Q HA -0.099 4.241 4.340 -0.000 0.000 0.313 180 Q C 0.880 176.713 176.000 -0.279 0.000 1.075 180 Q CA 0.564 56.156 55.803 -0.352 0.000 0.995 180 Q CB 0.349 28.526 28.738 -0.934 0.000 1.107 180 Q HN 0.521 nan 8.270 nan 0.000 0.380 181 C N 1.321 120.482 119.300 -0.232 0.000 3.882 181 C HA 0.421 4.881 4.460 -0.000 0.000 0.340 181 C C 0.396 175.302 174.990 -0.140 0.000 1.563 181 C CA -0.023 58.902 59.018 -0.155 0.000 1.870 181 C CB -1.280 26.402 27.740 -0.095 0.000 2.795 181 C HN 0.901 nan 8.230 nan 0.000 0.692 182 N N 0.359 118.953 118.700 -0.176 0.000 3.229 182 N HA 0.518 5.258 4.740 -0.000 0.000 0.315 182 N C -0.326 175.084 175.510 -0.168 0.000 1.520 182 N CA -1.003 51.969 53.050 -0.131 0.000 0.769 182 N CB 0.787 39.219 38.487 -0.092 0.000 1.766 182 N HN 0.039 nan 8.380 nan 0.000 0.618 183 L N -0.238 120.920 121.223 -0.108 0.000 2.791 183 L HA 0.288 4.628 4.340 -0.000 0.000 0.239 183 L C -0.744 176.084 176.870 -0.070 0.000 1.203 183 L CA -0.138 54.647 54.840 -0.092 0.000 1.002 183 L CB -0.835 41.197 42.059 -0.045 0.000 1.295 183 L HN 0.440 nan 8.230 nan 0.000 0.504 184 D N 1.444 121.791 120.400 -0.089 0.000 2.358 184 D HA 0.071 4.710 4.640 -0.000 0.000 0.258 184 D C 0.402 176.676 176.300 -0.044 0.000 1.223 184 D CA 0.415 54.382 54.000 -0.055 0.000 0.886 184 D CB 0.416 41.182 40.800 -0.057 0.000 1.120 184 D HN 0.099 nan 8.370 nan 0.000 0.482 185 D N 0.938 121.341 120.400 0.005 0.000 2.945 185 D HA -0.211 4.429 4.640 -0.000 0.000 0.225 185 D C -0.353 176.001 176.300 0.090 0.000 1.158 185 D CA 0.468 54.496 54.000 0.046 0.000 0.805 185 D CB -1.050 39.776 40.800 0.044 0.000 1.098 185 D HN 0.349 nan 8.370 nan 0.000 0.426 186 L N 0.169 121.437 121.223 0.074 0.000 2.333 186 L HA 0.458 4.798 4.340 -0.000 0.000 0.269 186 L C -0.226 176.761 176.870 0.195 0.000 1.010 186 L CA -0.716 54.210 54.840 0.143 0.000 0.818 186 L CB 2.140 44.200 42.059 0.002 0.000 1.306 186 L HN 0.015 nan 8.230 nan 0.000 0.430 187 H N 5.367 124.520 119.070 0.138 0.000 2.718 187 H HA 0.303 4.859 4.556 -0.000 0.000 0.295 187 H C -1.559 173.838 175.328 0.114 0.000 1.051 187 H CA -0.719 55.385 56.048 0.093 0.000 1.260 187 H CB 1.611 31.408 29.762 0.059 0.000 1.403 187 H HN 0.555 nan 8.280 nan 0.000 0.488 188 L N 6.007 127.133 121.223 -0.162 0.000 2.257 188 L HA 0.366 4.706 4.340 -0.000 0.000 0.290 188 L C -0.478 176.281 176.870 -0.185 0.000 1.044 188 L CA -0.067 54.730 54.840 -0.070 0.000 0.810 188 L CB 1.193 43.268 42.059 0.026 0.000 1.193 188 L HN 0.562 nan 8.230 nan 0.000 0.425 189 T N 1.801 116.302 114.554 -0.089 0.000 2.916 189 T HA 0.845 5.195 4.350 -0.000 0.000 0.292 189 T C -0.827 173.884 174.700 0.019 0.000 1.055 189 T CA -0.521 61.492 62.100 -0.144 0.000 1.009 189 T CB 1.694 70.504 68.868 -0.096 0.000 1.118 189 T HN 0.755 nan 8.240 nan 0.000 0.497 190 Y N -1.764 118.510 120.300 -0.042 0.000 2.732 190 Y HA 0.760 5.310 4.550 -0.000 0.000 0.342 190 Y C -1.168 174.747 175.900 0.026 0.000 1.203 190 Y CA -1.402 56.673 58.100 -0.042 0.000 1.092 190 Y CB 0.523 38.892 38.460 -0.152 0.000 1.345 190 Y HN 1.107 nan 8.280 nan 0.000 0.458 194 E N 2.052 122.233 120.200 -0.030 0.000 2.023 194 E HA -0.278 4.072 4.350 -0.000 0.000 0.164 194 E C 0.942 177.530 176.600 -0.021 0.000 1.456 194 E CA 1.026 57.415 56.400 -0.017 0.000 0.617 194 E CB -2.026 27.675 29.700 0.001 0.000 1.042 194 E HN 1.636 nan 8.360 nan 0.000 0.301 195 G N 0.585 109.363 108.800 -0.037 0.000 2.268 195 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.240 195 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.240 195 G C 0.255 175.130 174.900 -0.042 0.000 1.010 195 G CA 0.281 45.361 45.100 -0.034 0.000 0.618 195 G HN 0.406 nan 8.290 nan 0.000 0.516 196 L N 0.264 121.462 121.223 -0.041 0.000 2.304 196 L HA 0.724 5.064 4.340 -0.000 0.000 0.268 196 L C 0.521 177.342 176.870 -0.083 0.000 1.010 196 L CA -1.152 53.667 54.840 -0.036 0.000 0.813 196 L CB 1.784 43.854 42.059 0.017 0.000 1.315 196 L HN 0.111 nan 8.230 nan 0.000 0.445 197 L N 0.841 121.997 121.223 -0.111 0.000 2.281 197 L HA 0.334 4.674 4.340 -0.000 0.000 0.285 197 L C 0.653 177.482 176.870 -0.068 0.000 1.074 197 L CA 0.018 54.694 54.840 -0.273 0.000 0.817 197 L CB 1.568 43.213 42.059 -0.691 0.000 1.168 197 L HN 0.882 nan 8.230 nan 0.000 0.434 198 A N 5.965 128.786 122.820 0.000 0.000 1.963 198 A HA 0.179 4.499 4.320 -0.000 0.000 0.207 198 A C 0.594 178.370 177.584 0.320 0.000 1.243 198 A CA 0.246 52.410 52.037 0.211 0.000 0.728 198 A CB 0.272 19.421 19.000 0.248 0.000 0.895 198 A HN 0.791 nan 8.150 nan 0.000 0.467 199 R N -1.482 119.148 120.500 0.216 0.000 2.626 199 R HA 0.717 5.056 4.340 -0.000 0.000 0.274 199 R C -1.958 174.427 176.300 0.142 0.000 1.031 199 R CA -0.615 55.652 56.100 0.278 0.000 0.898 199 R CB 1.094 31.539 30.300 0.243 0.000 1.222 199 R HN 0.117 nan 8.270 nan 0.000 0.455 200 L N 1.735 123.060 121.223 0.170 0.000 2.365 200 L HA 0.582 4.922 4.340 -0.000 0.000 0.273 200 L C -1.413 175.525 176.870 0.113 0.000 1.000 200 L CA -0.229 54.578 54.840 -0.056 0.000 0.819 200 L CB 2.194 43.943 42.059 -0.515 0.000 1.284 200 L HN 0.798 nan 8.230 nan 0.000 0.418 201 D N 4.071 124.564 120.400 0.154 0.000 2.575 201 D HA 0.401 5.040 4.640 -0.000 0.000 0.250 201 D C -1.385 175.113 176.300 0.329 0.000 1.279 201 D CA -0.060 54.144 54.000 0.339 0.000 0.925 201 D CB 2.508 43.509 40.800 0.334 0.000 1.261 201 D HN 0.236 nan 8.370 nan 0.000 0.567 202 V N 3.285 123.506 119.914 0.512 0.000 2.448 202 V HA 0.409 4.529 4.120 -0.000 0.000 0.295 202 V C -0.214 176.186 176.094 0.510 0.000 1.025 202 V CA -0.497 62.097 62.300 0.491 0.000 0.859 202 V CB 1.975 34.167 31.823 0.615 0.000 0.988 202 V HN 0.496 nan 8.190 nan 0.000 0.431 203 Q N 5.330 125.370 119.800 0.400 0.000 2.309 203 Q HA 0.625 4.965 4.340 -0.000 0.000 0.273 203 Q C -1.909 174.310 176.000 0.366 0.000 1.040 203 Q CA -0.735 55.186 55.803 0.197 0.000 0.834 203 Q CB 2.886 31.489 28.738 -0.224 0.000 1.345 203 Q HN 0.815 nan 8.270 nan 0.000 0.414 204 W N 1.606 122.930 121.300 0.041 0.000 3.005 204 W HA 0.508 5.167 4.660 -0.000 0.000 0.343 204 W C -2.134 174.396 176.519 0.018 0.000 1.243 204 W CA -0.799 56.565 57.345 0.032 0.000 1.186 204 W CB 1.156 30.641 29.460 0.041 0.000 1.453 204 W HN 0.720 nan 8.180 nan 0.000 0.575 205 Q N 2.203 122.149 119.800 0.243 0.000 2.320 205 Q HA 0.526 4.866 4.340 -0.000 0.000 0.268 205 Q C -1.059 175.058 176.000 0.196 0.000 1.023 205 Q CA -0.552 55.312 55.803 0.100 0.000 0.744 205 Q CB 1.904 30.665 28.738 0.039 0.000 1.246 205 Q HN 0.527 nan 8.270 nan 0.000 0.462 206 T N 1.380 116.046 114.554 0.186 0.000 2.821 206 T HA 0.730 5.080 4.350 -0.000 0.000 0.307 206 T C 0.730 175.485 174.700 0.092 0.000 1.034 206 T CA 0.217 62.424 62.100 0.178 0.000 0.953 206 T CB 1.191 70.209 68.868 0.250 0.000 0.968 206 T HN 1.005 nan 8.240 nan 0.000 0.462 207 G N 3.660 112.501 108.800 0.068 0.000 2.527 207 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.262 207 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.262 207 G C -0.051 174.867 174.900 0.031 0.000 1.153 207 G CA 0.135 45.263 45.100 0.045 0.000 0.954 207 G HN 0.657 nan 8.290 nan 0.000 0.552 208 D N 1.589 122.003 120.400 0.023 0.000 2.463 208 D HA 0.331 4.971 4.640 -0.000 0.000 0.224 208 D C 0.194 176.492 176.300 -0.004 0.000 1.174 208 D CA 0.733 54.741 54.000 0.013 0.000 0.829 208 D CB 0.609 41.421 40.800 0.020 0.000 0.993 208 D HN 0.315 nan 8.370 nan 0.000 0.497 209 T N 1.371 115.917 114.554 -0.013 0.000 2.809 209 T HA 0.322 4.672 4.350 -0.000 0.000 0.284 209 T C -0.458 174.186 174.700 -0.094 0.000 0.992 209 T CA -0.568 61.500 62.100 -0.052 0.000 0.957 209 T CB 2.082 70.919 68.868 -0.052 0.000 0.942 209 T HN -0.075 nan 8.240 nan 0.000 0.439 210 L N 5.475 126.629 121.223 -0.115 0.000 2.255 210 L HA 0.546 4.885 4.340 -0.000 0.000 0.289 210 L C -1.064 175.666 176.870 -0.234 0.000 1.046 210 L CA -0.339 54.407 54.840 -0.157 0.000 0.816 210 L CB -0.025 41.975 42.059 -0.097 0.000 1.197 210 L HN 0.572 nan 8.230 nan 0.000 0.427 211 L N 5.728 126.675 121.223 -0.460 0.000 2.289 211 L HA 0.497 4.836 4.340 -0.000 0.000 0.285 211 L C -0.472 176.107 176.870 -0.484 0.000 1.049 211 L CA -0.501 53.987 54.840 -0.587 0.000 0.804 211 L CB 1.139 42.568 42.059 -1.049 0.000 1.195 211 L HN 0.657 nan 8.230 nan 0.000 0.428 212 H N 2.486 121.361 119.070 -0.326 0.000 2.934 212 H HA 0.639 5.195 4.556 -0.000 0.000 0.340 212 H C -1.355 173.961 175.328 -0.019 0.000 1.008 212 H CA -0.790 55.181 56.048 -0.129 0.000 1.317 212 H CB 1.807 31.544 29.762 -0.041 0.000 1.670 212 H HN 0.746 nan 8.280 nan 0.000 0.516 213 A N 4.230 127.223 122.820 0.288 0.000 2.287 213 A HA 0.516 4.836 4.320 -0.000 0.000 0.317 213 A C -0.646 177.140 177.584 0.336 0.000 1.220 213 A CA -0.414 51.707 52.037 0.140 0.000 0.835 213 A CB 1.533 20.512 19.000 -0.035 0.000 1.180 213 A HN 0.550 nan 8.150 nan 0.000 0.500 217 R N 1.188 121.866 120.500 0.296 0.000 2.335 217 R HA 0.176 4.515 4.340 -0.000 0.000 0.223 217 R C 0.033 176.448 176.300 0.192 0.000 0.940 217 R CA 0.255 56.486 56.100 0.219 0.000 1.086 217 R CB 0.497 30.892 30.300 0.159 0.000 1.073 217 R HN 0.473 nan 8.270 nan 0.000 0.504 218 Q N 0.120 120.042 119.800 0.202 0.000 2.182 218 Q HA 0.166 4.505 4.340 -0.000 0.000 0.305 218 Q C -0.727 175.359 176.000 0.143 0.000 0.880 218 Q CA -0.279 55.595 55.803 0.118 0.000 1.131 218 Q CB 0.427 29.240 28.738 0.125 0.000 1.237 218 Q HN 0.073 nan 8.270 nan 0.000 0.447 219 F N -0.209 119.754 119.950 0.021 0.000 2.373 219 F HA 0.376 4.903 4.527 -0.000 0.000 0.302 219 F C 1.628 177.495 175.800 0.112 0.000 1.247 219 F CA 0.389 58.395 58.000 0.009 0.000 1.169 219 F CB 0.775 39.763 39.000 -0.019 0.000 1.309 219 F HN 0.121 nan 8.300 nan 0.000 0.537 220 G N 1.185 109.701 108.800 -0.474 0.000 2.623 220 G HA2 0.125 4.085 3.960 -0.000 0.000 0.214 220 G HA3 0.125 4.085 3.960 -0.000 0.000 0.214 220 G C -0.060 174.886 174.900 0.076 0.000 1.138 220 G CA 0.502 45.513 45.100 -0.148 0.000 0.794 220 G HN 0.496 nan 8.290 nan 0.000 0.535 221 I N -1.033 119.672 120.570 0.224 0.000 2.882 221 I HA 0.285 4.455 4.170 -0.000 0.000 0.298 221 I C -1.218 175.125 176.117 0.376 0.000 1.462 221 I CA -0.720 60.723 61.300 0.238 0.000 1.000 221 I CB 2.083 40.178 38.000 0.158 0.000 1.340 221 I HN -0.163 nan 8.210 nan 0.000 0.462 222 T N 3.852 118.550 114.554 0.240 0.000 2.761 222 T HA 0.493 4.843 4.350 -0.000 0.000 0.296 222 T C -0.394 174.381 174.700 0.124 0.000 0.934 222 T CA 0.026 62.241 62.100 0.193 0.000 1.091 222 T CB 0.658 69.613 68.868 0.145 0.000 0.896 222 T HN 0.662 nan 8.240 nan 0.000 0.515 223 T N 2.475 117.057 114.554 0.047 0.000 2.827 223 T HA 0.403 4.753 4.350 -0.000 0.000 0.328 223 T C -2.223 172.307 174.700 -0.284 0.000 1.598 223 T CA -0.762 61.293 62.100 -0.075 0.000 1.043 223 T CB 1.818 70.657 68.868 -0.048 0.000 1.447 223 T HN 0.658 nan 8.240 nan 0.000 0.491 224 E N 1.507 121.525 120.200 -0.304 0.000 2.246 224 E HA 0.493 4.843 4.350 -0.000 0.000 0.266 224 E C -1.457 174.977 176.600 -0.277 0.000 0.880 224 E CA -0.587 55.603 56.400 -0.350 0.000 0.762 224 E CB 1.074 30.662 29.700 -0.187 0.000 1.180 224 E HN 0.774 nan 8.360 nan 0.000 0.416 225 H N 1.521 120.379 119.070 -0.353 0.000 2.637 225 H HA 0.545 5.101 4.556 -0.000 0.000 0.363 225 H C -0.986 174.029 175.328 -0.521 0.000 1.131 225 H CA -1.331 54.506 56.048 -0.352 0.000 1.183 225 H CB 2.218 31.849 29.762 -0.218 0.000 1.637 225 H HN 0.134 nan 8.280 nan 0.000 0.531 226 V N 2.693 122.347 119.914 -0.432 0.000 2.487 226 V HA 0.308 4.428 4.120 -0.000 0.000 0.298 226 V C -0.209 175.706 176.094 -0.299 0.000 1.028 226 V CA -0.565 61.352 62.300 -0.638 0.000 0.860 226 V CB 1.782 32.861 31.823 -1.240 0.000 0.991 226 V HN 0.834 nan 8.190 nan 0.000 0.427 227 T N 4.018 118.450 114.554 -0.204 0.000 2.824 227 T HA 0.808 5.158 4.350 -0.000 0.000 0.282 227 T C -0.317 174.345 174.700 -0.063 0.000 0.993 227 T CA -0.331 61.719 62.100 -0.084 0.000 0.967 227 T CB 1.688 70.545 68.868 -0.019 0.000 0.960 227 T HN 0.992 nan 8.240 nan 0.000 0.441 228 A N 2.461 125.272 122.820 -0.014 0.000 2.449 228 A HA 0.894 5.214 4.320 -0.000 0.000 0.302 228 A C -0.358 177.213 177.584 -0.023 0.000 1.048 228 A CA -0.848 51.153 52.037 -0.060 0.000 0.708 228 A CB 1.501 20.452 19.000 -0.081 0.000 1.274 228 A HN 0.913 nan 8.150 nan 0.000 0.410 229 S N 0.846 116.448 115.700 -0.163 0.000 2.549 229 S HA 0.866 5.336 4.470 -0.000 0.000 0.280 229 S C -0.983 173.453 174.600 -0.272 0.000 1.109 229 S CA -0.501 57.647 58.200 -0.086 0.000 0.905 229 S CB 0.886 64.088 63.200 0.003 0.000 1.081 229 S HN 0.635 nan 8.310 nan 0.000 0.477 230 Y N 0.321 120.683 120.300 0.103 0.000 3.114 230 Y HA 0.525 5.075 4.550 -0.000 0.000 0.325 230 Y C -0.012 175.920 175.900 0.054 0.000 1.397 230 Y CA -1.042 57.105 58.100 0.079 0.000 1.008 230 Y CB 0.368 38.889 38.460 0.103 0.000 1.338 230 Y HN 0.529 nan 8.280 nan 0.000 0.730 231 D N 1.568 122.118 120.400 0.251 0.000 2.316 231 D HA 0.151 4.791 4.640 -0.000 0.000 0.245 231 D C -0.413 175.953 176.300 0.110 0.000 1.171 231 D CA 0.287 54.365 54.000 0.130 0.000 0.856 231 D CB 0.298 41.155 40.800 0.095 0.000 1.090 231 D HN 0.496 nan 8.370 nan 0.000 0.476 232 N N 0.696 119.442 118.700 0.077 0.000 2.800 232 N HA -0.159 4.581 4.740 -0.000 0.000 0.250 232 N C -0.821 174.730 175.510 0.068 0.000 1.078 232 N CA 0.602 53.682 53.050 0.051 0.000 0.804 232 N CB -0.884 37.623 38.487 0.033 0.000 1.135 232 N HN 0.224 nan 8.380 nan 0.000 0.565 233 V N -0.720 119.271 119.914 0.128 0.000 2.888 233 V HA 0.936 5.056 4.120 -0.000 0.000 0.309 233 V C -0.292 175.940 176.094 0.230 0.000 1.114 233 V CA -0.392 61.993 62.300 0.141 0.000 0.940 233 V CB 2.303 34.220 31.823 0.158 0.000 1.021 233 V HN 0.347 nan 8.190 nan 0.000 0.426 234 A N 2.962 125.863 122.820 0.135 0.000 2.612 234 A HA 0.946 5.266 4.320 -0.000 0.000 0.293 234 A C -2.260 175.301 177.584 -0.038 0.000 1.075 234 A CA -0.493 51.678 52.037 0.223 0.000 0.680 234 A CB 1.753 20.933 19.000 0.300 0.000 1.279 234 A HN 0.717 nan 8.150 nan 0.000 0.411 235 Y N -0.467 119.806 120.300 -0.045 0.000 2.545 235 Y HA 0.742 5.292 4.550 -0.000 0.000 0.348 235 Y C -0.628 174.963 175.900 -0.514 0.000 1.002 235 Y CA -1.032 56.806 58.100 -0.437 0.000 1.039 235 Y CB 2.373 40.559 38.460 -0.458 0.000 1.271 235 Y HN 0.640 nan 8.280 nan 0.000 0.467 236 L N 3.288 124.076 121.223 -0.725 0.000 2.491 236 L HA 0.596 4.935 4.340 -0.000 0.000 0.267 236 L C -2.216 174.261 176.870 -0.656 0.000 0.971 236 L CA -0.858 53.658 54.840 -0.540 0.000 0.857 236 L CB 0.378 42.172 42.059 -0.441 0.000 1.226 236 L HN 0.422 nan 8.230 nan 0.000 0.408 237 F N 3.994 123.737 119.950 -0.344 0.000 2.404 237 F HA 0.383 4.910 4.527 -0.000 0.000 0.354 237 F C 1.280 176.907 175.800 -0.289 0.000 1.122 237 F CA -0.503 57.324 58.000 -0.289 0.000 1.080 237 F CB 1.277 40.084 39.000 -0.322 0.000 1.131 237 F HN 0.619 nan 8.300 nan 0.000 0.471 238 D N 0.008 120.343 120.400 -0.108 0.000 2.339 238 D HA 0.046 4.686 4.640 -0.000 0.000 0.217 238 D C 0.482 176.779 176.300 -0.005 0.000 1.050 238 D CA 0.462 54.343 54.000 -0.200 0.000 0.856 238 D CB 0.358 40.999 40.800 -0.265 0.000 0.922 238 D HN 0.464 nan 8.370 nan 0.000 0.518 239 S N -1.444 114.259 115.700 0.005 0.000 2.755 239 S HA 0.370 4.840 4.470 -0.000 0.000 0.286 239 S C -0.517 174.041 174.600 -0.070 0.000 1.207 239 S CA -0.842 57.308 58.200 -0.083 0.000 0.892 239 S CB -0.275 62.931 63.200 0.010 0.000 1.240 239 S HN -0.064 nan 8.310 nan 0.000 0.525 240 F N 1.258 121.251 119.950 0.072 0.000 2.765 240 F HA 0.194 4.720 4.527 -0.000 0.000 0.302 240 F C 2.417 178.186 175.800 -0.052 0.000 1.111 240 F CA 0.622 58.562 58.000 -0.100 0.000 1.359 240 F CB 0.656 39.562 39.000 -0.158 0.000 1.097 240 F HN 0.853 nan 8.300 nan 0.000 0.577 241 T N -3.761 110.906 114.554 0.189 0.000 2.959 241 T HA 0.246 4.596 4.350 -0.000 0.000 0.254 241 T C 0.542 175.338 174.700 0.161 0.000 1.003 241 T CA -0.025 62.163 62.100 0.148 0.000 0.950 241 T CB 0.279 69.210 68.868 0.105 0.000 1.090 241 T HN 0.076 nan 8.240 nan 0.000 0.503 242 Q N -0.385 119.520 119.800 0.176 0.000 2.458 242 Q HA 0.710 5.050 4.340 -0.000 0.000 0.282 242 Q C -0.793 175.320 176.000 0.189 0.000 1.106 242 Q CA -1.044 54.842 55.803 0.138 0.000 0.814 242 Q CB 2.407 31.174 28.738 0.049 0.000 1.425 242 Q HN 0.519 nan 8.270 nan 0.000 0.437 243 G N 0.581 109.386 108.800 0.007 0.000 2.495 243 G HA2 0.439 4.398 3.960 -0.000 0.000 0.294 243 G HA3 0.439 4.398 3.960 -0.000 0.000 0.294 243 G C -1.711 172.916 174.900 -0.455 0.000 1.397 243 G CA -0.586 44.349 45.100 -0.275 0.000 0.790 243 G HN 0.348 nan 8.290 nan 0.000 0.486 247 R N 0.942 121.470 120.500 0.048 0.000 2.604 247 R HA 0.461 4.801 4.340 -0.000 0.000 0.261 247 R C -0.273 176.030 176.300 0.005 0.000 1.080 247 R CA -0.668 55.434 56.100 0.003 0.000 0.917 247 R CB 1.537 31.813 30.300 -0.041 0.000 1.252 247 R HN 0.206 nan 8.270 nan 0.000 0.456 248 D N 1.504 121.905 120.400 0.001 0.000 2.945 248 D HA -0.245 4.395 4.640 -0.000 0.000 0.225 248 D C -0.306 175.990 176.300 -0.007 0.000 1.158 248 D CA 1.613 55.611 54.000 -0.004 0.000 0.805 248 D CB -0.973 39.825 40.800 -0.004 0.000 1.098 248 D HN 1.039 nan 8.370 nan 0.000 0.426 249 N N -0.499 118.194 118.700 -0.011 0.000 2.741 249 N HA -0.270 4.470 4.740 -0.000 0.000 0.251 249 N C -0.563 174.945 175.510 -0.003 0.000 1.112 249 N CA 1.053 54.086 53.050 -0.029 0.000 0.750 249 N CB -0.233 38.230 38.487 -0.039 0.000 1.119 249 N HN 0.499 nan 8.380 nan 0.000 0.561 250 Q N 0.497 120.316 119.800 0.032 0.000 2.387 250 Q HA 0.434 4.774 4.340 -0.000 0.000 0.273 250 Q C -0.832 175.241 176.000 0.122 0.000 1.089 250 Q CA -0.633 55.199 55.803 0.048 0.000 0.824 250 Q CB 2.292 31.040 28.738 0.017 0.000 1.367 250 Q HN 0.250 nan 8.270 nan 0.000 0.443 251 E N 1.091 121.367 120.200 0.126 0.000 2.187 251 E HA 0.537 4.887 4.350 -0.000 0.000 0.268 251 E C -1.440 175.139 176.600 -0.036 0.000 0.896 251 E CA -0.453 56.022 56.400 0.125 0.000 0.766 251 E CB 1.281 31.147 29.700 0.276 0.000 1.142 251 E HN 0.640 nan 8.360 nan 0.000 0.408 252 S N 3.458 119.067 115.700 -0.151 0.000 2.627 252 S HA 0.584 5.054 4.470 -0.000 0.000 0.283 252 S C -0.661 173.806 174.600 -0.222 0.000 1.127 252 S CA -1.209 56.906 58.200 -0.143 0.000 0.863 252 S CB 1.425 64.560 63.200 -0.109 0.000 1.121 252 S HN 0.681 nan 8.310 nan 0.000 0.479 253 R N 0.092 120.496 120.500 -0.160 0.000 2.474 253 R HA 0.761 5.100 4.340 -0.000 0.000 0.295 253 R C -0.746 175.476 176.300 -0.130 0.000 0.980 253 R CA -0.836 55.161 56.100 -0.173 0.000 0.934 253 R CB 1.187 31.421 30.300 -0.110 0.000 1.101 253 R HN 0.740 nan 8.270 nan 0.000 0.469 254 V N -0.346 119.479 119.914 -0.149 0.000 2.555 254 V HA 0.965 5.085 4.120 -0.000 0.000 0.302 254 V C -0.422 175.717 176.094 0.075 0.000 1.038 254 V CA -0.566 61.697 62.300 -0.062 0.000 0.887 254 V CB 1.088 32.729 31.823 -0.304 0.000 0.991 254 V HN 1.112 nan 8.190 nan 0.000 0.434 255 A N 3.802 126.711 122.820 0.148 0.000 2.609 255 A HA 0.832 5.152 4.320 -0.000 0.000 0.291 255 A C -1.304 176.380 177.584 0.167 0.000 1.096 255 A CA -0.804 51.327 52.037 0.157 0.000 0.684 255 A CB 1.571 20.625 19.000 0.091 0.000 1.282 255 A HN 0.951 nan 8.150 nan 0.000 0.412 256 L N 1.086 122.393 121.223 0.140 0.000 2.452 256 L HA 0.302 4.642 4.340 -0.000 0.000 0.267 256 L C 0.694 177.621 176.870 0.095 0.000 1.188 256 L CA 0.445 55.352 54.840 0.111 0.000 0.821 256 L CB 0.276 42.386 42.059 0.086 0.000 1.102 256 L HN 0.709 nan 8.230 nan 0.000 0.470 257 K N 1.546 122.000 120.400 0.090 0.000 2.355 257 K HA 0.041 4.361 4.320 -0.000 0.000 0.270 257 K C -0.362 176.305 176.600 0.111 0.000 1.003 257 K CA -0.503 55.842 56.287 0.096 0.000 0.957 257 K CB 0.285 32.840 32.500 0.091 0.000 0.939 257 K HN 0.523 nan 8.250 nan 0.000 0.482 258 D N 0.295 120.775 120.400 0.135 0.000 2.390 258 D HA -0.122 4.518 4.640 -0.000 0.000 0.236 258 D C -0.015 176.450 176.300 0.275 0.000 1.189 258 D CA 0.532 54.619 54.000 0.144 0.000 0.887 258 D CB 0.294 41.206 40.800 0.186 0.000 1.198 258 D HN 0.586 nan 8.370 nan 0.000 0.444 259 W N -0.933 120.373 121.300 0.010 0.000 2.062 259 W HA -0.254 4.406 4.660 -0.000 0.000 0.257 259 W C 0.427 176.946 176.519 -0.000 0.000 1.024 259 W CA 0.735 58.082 57.345 0.003 0.000 0.471 259 W CB -2.509 26.950 29.460 -0.002 0.000 2.039 259 W HN 0.269 nan 8.180 nan 0.000 1.321 260 T N 2.609 117.245 114.554 0.137 0.000 2.769 260 T HA 0.244 4.594 4.350 -0.000 0.000 0.293 260 T C -0.460 174.267 174.700 0.046 0.000 0.931 260 T CA -0.671 61.481 62.100 0.087 0.000 1.139 260 T CB 0.597 69.502 68.868 0.062 0.000 0.881 260 T HN -0.069 nan 8.240 nan 0.000 0.532 264 A N 0.699 123.541 122.820 0.036 0.000 1.874 264 A HA -0.089 4.231 4.320 -0.000 0.000 0.214 264 A C 2.318 179.895 177.584 -0.012 0.000 1.189 264 A CA 1.772 53.829 52.037 0.033 0.000 0.615 264 A CB -0.436 18.576 19.000 0.021 0.000 0.830 264 A HN 0.442 nan 8.150 nan 0.000 0.443 265 S N 0.432 116.115 115.700 -0.028 0.000 2.383 265 S HA -0.173 4.297 4.470 -0.000 0.000 0.229 265 S C 1.556 176.012 174.600 -0.239 0.000 1.030 265 S CA 1.568 59.724 58.200 -0.073 0.000 1.002 265 S CB -0.438 62.761 63.200 -0.002 0.000 0.829 265 S HN 0.567 nan 8.310 nan 0.000 0.467 266 K N 1.004 121.262 120.400 -0.237 0.000 2.525 266 K HA 0.211 4.531 4.320 -0.000 0.000 0.192 266 K C 1.236 177.591 176.600 -0.408 0.000 1.029 266 K CA 0.375 56.365 56.287 -0.494 0.000 1.029 266 K CB -0.413 32.012 32.500 -0.125 0.000 0.814 266 K HN 0.611 nan 8.250 nan 0.000 0.503 267 G N 0.953 109.616 108.800 -0.228 0.000 2.148 267 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.254 267 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.254 267 G C 0.563 175.373 174.900 -0.149 0.000 0.981 267 G CA 0.082 45.081 45.100 -0.168 0.000 0.670 267 G HN 0.292 nan 8.290 nan 0.000 0.528 268 F N 0.780 120.673 119.950 -0.095 0.000 2.163 268 F HA 0.095 4.622 4.527 -0.000 0.000 0.297 268 F C 2.461 178.262 175.800 0.002 0.000 1.094 268 F CA 1.630 59.573 58.000 -0.096 0.000 1.290 268 F CB -0.223 38.638 39.000 -0.231 0.000 1.017 268 F HN 0.146 nan 8.300 nan 0.000 0.483 269 D N 0.532 121.068 120.400 0.227 0.000 2.092 269 D HA -0.111 4.529 4.640 -0.000 0.000 0.193 269 D C 1.503 177.965 176.300 0.271 0.000 0.994 269 D CA 1.326 55.501 54.000 0.292 0.000 0.828 269 D CB -0.683 40.209 40.800 0.153 0.000 0.963 269 D HN 0.179 nan 8.370 nan 0.000 0.450 273 Q N 1.769 121.560 119.800 -0.015 0.000 2.029 273 Q HA -0.294 4.046 4.340 -0.000 0.000 0.209 273 Q C 1.671 177.660 176.000 -0.019 0.000 0.999 273 Q CA 3.052 58.914 55.803 0.098 0.000 0.857 273 Q CB -0.509 28.375 28.738 0.245 0.000 0.926 273 Q HN 0.700 nan 8.270 nan 0.000 0.415 274 D N -0.849 119.539 120.400 -0.020 0.000 2.092 274 D HA -0.209 4.431 4.640 -0.000 0.000 0.193 274 D C 1.579 177.856 176.300 -0.038 0.000 0.994 274 D CA 1.670 55.692 54.000 0.036 0.000 0.828 274 D CB -0.640 40.226 40.800 0.110 0.000 0.963 274 D HN 0.576 nan 8.370 nan 0.000 0.450 275 W N 1.094 122.082 121.300 -0.520 0.000 2.301 275 W HA -0.287 4.373 4.660 -0.000 0.000 0.325 275 W C 1.834 178.115 176.519 -0.397 0.000 1.250 275 W CA 0.926 57.802 57.345 -0.781 0.000 1.261 275 W CB -0.522 28.474 29.460 -0.774 0.000 1.157 275 W HN 0.048 nan 8.180 nan 0.000 0.473 276 L N 0.812 121.647 121.223 -0.647 0.000 2.013 276 L HA -0.311 4.028 4.340 -0.000 0.000 0.212 276 L C 2.792 179.393 176.870 -0.449 0.000 1.073 276 L CA 1.922 56.319 54.840 -0.737 0.000 0.753 276 L CB -1.229 40.506 42.059 -0.539 0.000 0.890 276 L HN 0.143 nan 8.230 nan 0.000 0.432 277 Q N -0.732 118.928 119.800 -0.233 0.000 2.170 277 Q HA -0.172 4.168 4.340 -0.000 0.000 0.203 277 Q C 2.301 178.243 176.000 -0.095 0.000 0.976 277 Q CA 1.359 57.095 55.803 -0.112 0.000 0.858 277 Q CB -0.066 28.664 28.738 -0.014 0.000 0.907 277 Q HN 0.368 nan 8.270 nan 0.000 0.433 278 V N 0.292 120.154 119.914 -0.086 0.000 2.379 278 V HA -0.209 3.911 4.120 -0.000 0.000 0.245 278 V C 2.144 178.165 176.094 -0.122 0.000 1.044 278 V CA 1.601 63.913 62.300 0.020 0.000 1.036 278 V CB -0.810 31.171 31.823 0.264 0.000 0.664 278 V HN 0.389 nan 8.190 nan 0.000 0.453 279 A N 0.231 122.775 122.820 -0.459 0.000 1.877 279 A HA -0.128 4.192 4.320 -0.000 0.000 0.216 279 A C 2.437 179.841 177.584 -0.299 0.000 1.186 279 A CA 2.192 53.892 52.037 -0.562 0.000 0.620 279 A CB -0.872 17.462 19.000 -1.111 0.000 0.822 279 A HN 0.543 nan 8.150 nan 0.000 0.443 280 A N -0.115 122.539 122.820 -0.276 0.000 1.858 280 A HA 0.139 4.459 4.320 -0.000 0.000 0.216 280 A C 2.509 180.038 177.584 -0.091 0.000 1.190 280 A CA 2.283 54.222 52.037 -0.164 0.000 0.617 280 A CB -1.162 17.753 19.000 -0.142 0.000 0.827 280 A HN 1.180 nan 8.150 nan 0.000 0.443 281 A N -1.689 121.091 122.820 -0.066 0.000 2.070 281 A HA 0.307 4.626 4.320 -0.000 0.000 0.220 281 A C 2.034 179.617 177.584 -0.002 0.000 1.159 281 A CA 1.597 53.623 52.037 -0.018 0.000 0.656 281 A CB -1.235 17.770 19.000 0.009 0.000 0.800 281 A HN 2.088 nan 8.150 nan 0.000 0.453 282 G N -0.611 108.183 108.800 -0.010 0.000 2.198 282 G HA2 -0.280 3.679 3.960 -0.000 0.000 0.260 282 G HA3 -0.280 3.679 3.960 -0.000 0.000 0.260 282 G C -0.020 174.921 174.900 0.069 0.000 1.025 282 G CA 0.858 45.972 45.100 0.024 0.000 0.769 282 G HN 1.372 nan 8.290 nan 0.000 0.507 283 K N -1.769 118.682 120.400 0.086 0.000 2.572 283 K HA 0.653 4.973 4.320 -0.000 0.000 0.263 283 K C -1.611 175.077 176.600 0.147 0.000 0.932 283 K CA -1.348 55.009 56.287 0.116 0.000 0.838 283 K CB 1.643 34.197 32.500 0.091 0.000 1.366 283 K HN 0.561 nan 8.250 nan 0.000 0.425 284 L N 3.270 124.595 121.223 0.170 0.000 2.305 284 L HA 0.494 4.834 4.340 -0.000 0.000 0.284 284 L C -2.391 174.545 176.870 0.111 0.000 1.013 284 L CA -1.631 53.319 54.840 0.182 0.000 0.819 284 L CB 0.994 43.191 42.059 0.230 0.000 1.227 284 L HN 0.572 nan 8.230 nan 0.000 0.417 285 P HA -0.008 nan 4.420 nan 0.000 0.263 285 P C 0.537 177.832 177.300 -0.009 0.000 1.175 285 P CA 0.170 63.308 63.100 0.063 0.000 0.761 285 P CB 0.388 32.149 31.700 0.102 0.000 0.794 286 T N 1.873 116.466 114.554 0.065 0.000 2.624 286 T HA -0.240 4.109 4.350 -0.000 0.000 0.268 286 T C 1.681 176.386 174.700 0.008 0.000 1.041 286 T CA 2.117 64.243 62.100 0.044 0.000 1.159 286 T CB -0.977 67.937 68.868 0.078 0.000 0.863 286 T HN 0.675 nan 8.240 nan 0.000 0.434 287 H N 1.109 120.185 119.070 0.009 0.000 2.422 287 H HA -0.007 4.549 4.556 -0.000 0.000 0.298 287 H C 2.155 177.470 175.328 -0.021 0.000 1.098 287 H CA 1.307 57.351 56.048 -0.006 0.000 1.315 287 H CB -0.811 28.955 29.762 0.007 0.000 1.382 287 H HN 0.402 nan 8.280 nan 0.000 0.523 288 I N 0.827 121.035 120.570 -0.603 0.000 2.439 288 I HA -0.173 3.997 4.170 -0.000 0.000 0.251 288 I C 2.537 178.524 176.117 -0.215 0.000 1.139 288 I CA 0.831 61.889 61.300 -0.402 0.000 1.438 288 I CB -0.159 37.623 38.000 -0.364 0.000 1.085 288 I HN 0.154 nan 8.210 nan 0.000 0.427 289 I N 0.783 121.238 120.570 -0.192 0.000 2.353 289 I HA -0.215 3.955 4.170 -0.000 0.000 0.248 289 I C 2.286 178.212 176.117 -0.318 0.000 1.119 289 I CA 1.329 62.458 61.300 -0.286 0.000 1.417 289 I CB -0.320 37.545 38.000 -0.224 0.000 1.078 289 I HN 0.242 nan 8.210 nan 0.000 0.421 290 E N 0.574 120.669 120.200 -0.175 0.000 2.107 290 E HA -0.215 4.135 4.350 -0.000 0.000 0.191 290 E C 2.133 178.670 176.600 -0.105 0.000 0.982 290 E CA 0.616 56.942 56.400 -0.124 0.000 0.809 290 E CB -0.083 29.588 29.700 -0.048 0.000 0.756 290 E HN 0.263 nan 8.360 nan 0.000 0.459 291 R N 1.715 122.158 120.500 -0.096 0.000 2.080 291 R HA -0.142 4.198 4.340 -0.000 0.000 0.236 291 R C 1.874 178.116 176.300 -0.096 0.000 1.137 291 R CA 1.842 57.887 56.100 -0.092 0.000 0.943 291 R CB -0.325 29.916 30.300 -0.099 0.000 0.846 291 R HN 0.058 nan 8.270 nan 0.000 0.431 292 N N 0.440 119.098 118.700 -0.069 0.000 2.025 292 N HA -0.179 4.561 4.740 -0.000 0.000 0.194 292 N C 1.826 177.423 175.510 0.144 0.000 1.044 292 N CA 1.838 54.941 53.050 0.088 0.000 0.851 292 N CB -0.483 38.070 38.487 0.110 0.000 1.036 292 N HN 0.225 nan 8.380 nan 0.000 0.422 293 L N 0.798 121.995 121.223 -0.043 0.000 1.989 293 L HA -0.192 4.148 4.340 -0.000 0.000 0.211 293 L C 2.454 179.344 176.870 0.034 0.000 1.071 293 L CA 1.425 56.267 54.840 0.003 0.000 0.749 293 L CB -0.600 41.386 42.059 -0.120 0.000 0.890 293 L HN 0.144 nan 8.230 nan 0.000 0.431 294 A N -0.627 122.171 122.820 -0.036 0.000 1.873 294 A HA -0.271 4.048 4.320 -0.000 0.000 0.218 294 A C 2.479 180.013 177.584 -0.084 0.000 1.193 294 A CA 2.480 54.480 52.037 -0.062 0.000 0.629 294 A CB -0.855 18.098 19.000 -0.077 0.000 0.826 294 A HN 0.430 nan 8.150 nan 0.000 0.447 295 S N -1.107 114.521 115.700 -0.121 0.000 2.368 295 S HA -0.159 4.311 4.470 -0.000 0.000 0.225 295 S C 1.902 176.364 174.600 -0.230 0.000 1.030 295 S CA 1.225 59.292 58.200 -0.221 0.000 0.999 295 S CB -0.578 62.404 63.200 -0.364 0.000 0.844 295 S HN 0.706 nan 8.310 nan 0.000 0.459 296 H N 1.412 120.462 119.070 -0.033 0.000 2.389 296 H HA 0.015 4.570 4.556 -0.000 0.000 0.299 296 H C 2.324 177.644 175.328 -0.013 0.000 1.081 296 H CA 1.288 57.332 56.048 -0.006 0.000 1.345 296 H CB -0.204 29.632 29.762 0.123 0.000 1.393 296 H HN 0.529 nan 8.280 nan 0.000 0.520 297 Q N 0.220 120.081 119.800 0.102 0.000 2.079 297 Q HA -0.074 4.266 4.340 -0.000 0.000 0.200 297 Q C 2.551 178.543 176.000 -0.012 0.000 0.974 297 Q CA 0.557 56.395 55.803 0.057 0.000 0.840 297 Q CB 0.039 28.790 28.738 0.022 0.000 0.898 297 Q HN 0.355 nan 8.270 nan 0.000 0.430 298 L N 0.298 121.475 121.223 -0.076 0.000 2.131 298 L HA -0.191 4.149 4.340 -0.000 0.000 0.210 298 L C 2.287 179.099 176.870 -0.097 0.000 1.092 298 L CA 0.878 55.652 54.840 -0.109 0.000 0.759 298 L CB -0.347 41.617 42.059 -0.159 0.000 0.903 298 L HN 0.232 nan 8.230 nan 0.000 0.435 299 A N -0.540 122.169 122.820 -0.186 0.000 1.858 299 A HA -0.226 4.094 4.320 -0.000 0.000 0.216 299 A C 2.126 179.605 177.584 -0.174 0.000 1.190 299 A CA 1.553 53.377 52.037 -0.354 0.000 0.617 299 A CB -0.522 17.883 19.000 -0.991 0.000 0.827 299 A HN 0.379 nan 8.150 nan 0.000 0.443 300 E N -0.103 120.113 120.200 0.026 0.000 2.049 300 E HA -0.214 4.136 4.350 -0.000 0.000 0.198 300 E C 2.410 179.074 176.600 0.106 0.000 1.007 300 E CA 1.417 57.971 56.400 0.257 0.000 0.809 300 E CB -0.634 29.226 29.700 0.266 0.000 0.749 300 E HN 0.530 nan 8.360 nan 0.000 0.450 301 A N 1.080 123.922 122.820 0.037 0.000 1.917 301 A HA -0.198 4.121 4.320 -0.000 0.000 0.219 301 A C 2.381 179.961 177.584 -0.007 0.000 1.182 301 A CA 1.560 53.600 52.037 0.005 0.000 0.633 301 A CB -0.754 18.230 19.000 -0.027 0.000 0.819 301 A HN 0.237 nan 8.150 nan 0.000 0.448 302 I N -0.953 119.607 120.570 -0.017 0.000 2.226 302 I HA -0.310 3.859 4.170 -0.000 0.000 0.245 302 I C 2.559 178.637 176.117 -0.066 0.000 1.100 302 I CA 1.063 62.339 61.300 -0.040 0.000 1.374 302 I CB -0.383 37.599 38.000 -0.031 0.000 1.057 302 I HN 0.413 nan 8.210 nan 0.000 0.413 303 C N 0.165 119.463 119.300 -0.003 0.000 2.462 303 C HA -0.172 4.288 4.460 -0.000 0.000 0.278 303 C C 2.848 177.823 174.990 -0.025 0.000 1.253 303 C CA 0.866 59.889 59.018 0.010 0.000 1.713 303 C CB -0.991 26.854 27.740 0.174 0.000 2.049 303 C HN 0.497 nan 8.230 nan 0.000 0.477 304 Q N -0.289 119.517 119.800 0.010 0.000 2.124 304 Q HA -0.231 4.109 4.340 -0.000 0.000 0.202 304 Q C 2.446 178.429 176.000 -0.029 0.000 0.977 304 Q CA 1.285 57.084 55.803 -0.006 0.000 0.850 304 Q CB -0.240 28.505 28.738 0.012 0.000 0.901 304 Q HN 0.625 nan 8.270 nan 0.000 0.429 305 Q N 0.591 120.370 119.800 -0.035 0.000 2.020 305 Q HA -0.129 4.210 4.340 -0.000 0.000 0.202 305 Q C 2.043 178.006 176.000 -0.061 0.000 0.982 305 Q CA 1.321 57.105 55.803 -0.031 0.000 0.838 305 Q CB -0.154 28.573 28.738 -0.019 0.000 0.899 305 Q HN 0.449 nan 8.270 nan 0.000 0.423 306 I N 0.159 120.626 120.570 -0.171 0.000 2.252 306 I HA -0.256 3.914 4.170 -0.000 0.000 0.245 306 I C 2.195 178.175 176.117 -0.228 0.000 1.102 306 I CA 1.376 62.454 61.300 -0.370 0.000 1.385 306 I CB -0.491 37.081 38.000 -0.713 0.000 1.064 306 I HN 0.166 nan 8.210 nan 0.000 0.414 307 T N -0.023 114.435 114.554 -0.160 0.000 2.708 307 T HA -0.274 4.076 4.350 -0.000 0.000 0.266 307 T C 1.868 176.532 174.700 -0.060 0.000 1.037 307 T CA 1.437 63.476 62.100 -0.102 0.000 1.146 307 T CB -0.290 68.538 68.868 -0.068 0.000 0.865 307 T HN 0.396 nan 8.240 nan 0.000 0.435 308 Q N 0.525 120.299 119.800 -0.042 0.000 2.084 308 Q HA -0.154 4.186 4.340 -0.000 0.000 0.202 308 Q C 2.424 178.421 176.000 -0.005 0.000 0.978 308 Q CA 1.304 57.095 55.803 -0.019 0.000 0.844 308 Q CB -0.074 28.657 28.738 -0.011 0.000 0.898 308 Q HN 0.612 nan 8.270 nan 0.000 0.426 309 Q N -0.608 119.199 119.800 0.010 0.000 2.119 309 Q HA -0.121 4.219 4.340 -0.000 0.000 0.201 309 Q C 2.184 178.210 176.000 0.043 0.000 0.972 309 Q CA 1.475 57.306 55.803 0.047 0.000 0.847 309 Q CB 0.123 28.936 28.738 0.126 0.000 0.903 309 Q HN 0.265 nan 8.270 nan 0.000 0.433 310 V N 0.509 120.435 119.914 0.019 0.000 2.323 310 V HA -0.213 3.907 4.120 -0.000 0.000 0.244 310 V C 2.206 178.297 176.094 -0.006 0.000 1.041 310 V CA 2.108 64.412 62.300 0.007 0.000 1.025 310 V CB -0.777 31.023 31.823 -0.038 0.000 0.656 310 V HN 0.389 nan 8.190 nan 0.000 0.451 311 T N -0.597 113.947 114.554 -0.016 0.000 2.708 311 T HA -0.156 4.194 4.350 -0.000 0.000 0.266 311 T C 1.182 175.877 174.700 -0.007 0.000 1.037 311 T CA 1.164 63.255 62.100 -0.015 0.000 1.146 311 T CB -0.086 68.771 68.868 -0.018 0.000 0.865 311 T HN 0.438 nan 8.240 nan 0.000 0.435 312 K N 0.000 120.398 120.400 -0.003 0.000 2.780 312 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 312 K CA 0.000 56.287 56.287 0.000 0.000 0.838 312 K CB 0.000 32.502 32.500 0.004 0.000 1.064 312 K HN 0.000 nan 8.250 nan 0.000 0.543