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 2ez0_1_A DATA FIRST_RESID 17 DATA SEQUENCE RRRQLIRQLL ERDKTPLAIL FMAAVVGTLV GLAAVAFDKG VAWLQNQRMG DATA SEQUENCE ALVHTADNYP LLLTVAFLCS AVLAMFGYFL VRKYAPEAGG AGIPEIEGAL DATA SEQUENCE EDQRPVRWWR VLPVKFFGGL GTLGGGMVLG RQGPTVQIGG NIGRMVLDIF DATA SEQUENCE RLKGDEARHT LLATGAAAGL AAAFNAPLAG ILFIIEEMRP QFRYTLISIK DATA SEQUENCE AVFIGVIMST IMYRIFNHEV ALIDVGKLSD APLNTLWLYL ILGIIFGIFG DATA SEQUENCE PIFNKWVLGM QDLLHRVHGG NITKWVLMGG AIGGLCGLLG FVAPATSGGG DATA SEQUENCE FNLIPIATAG NFSMGMLVFI FVARVITTLL CFSSGAPGGI FAPMLALGTV DATA SEQUENCE LGTAFGMVAV ELFPQYHLEA GTFAIAGMGA LLAASIRAPL TGIILVLEMT DATA SEQUENCE DNYQLILPMI ITGLGATLLA QFTGGKPLAS AILARTLAKQ EAEQ 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 17 R HA 0.000 nan 4.340 nan 0.000 0.208 17 R C 0.000 176.293 176.300 -0.012 0.000 0.893 17 R CA 0.000 56.094 56.100 -0.010 0.000 0.921 17 R CB 0.000 30.294 30.300 -0.011 0.000 0.687 18 R N 1.510 122.004 120.500 -0.011 0.000 2.316 18 R HA -0.075 4.258 4.340 -0.011 0.000 0.232 18 R C 1.768 178.061 176.300 -0.012 0.000 1.137 18 R CA 1.652 57.744 56.100 -0.012 0.000 1.012 18 R CB -0.119 30.175 30.300 -0.010 0.000 0.859 18 R HN 0.189 nan 8.270 nan 0.000 0.474 19 R N 0.427 120.921 120.500 -0.010 0.000 2.096 19 R HA -0.205 4.128 4.340 -0.011 0.000 0.229 19 R C 2.376 178.669 176.300 -0.011 0.000 1.134 19 R CA 2.250 58.344 56.100 -0.009 0.000 0.917 19 R CB -0.342 29.953 30.300 -0.008 0.000 0.832 19 R HN 0.308 nan 8.270 nan 0.000 0.430 20 Q N 0.600 120.392 119.800 -0.013 0.000 1.998 20 Q HA -0.274 4.060 4.340 -0.011 0.000 0.209 20 Q C 2.199 178.188 176.000 -0.020 0.000 1.002 20 Q CA 2.375 58.169 55.803 -0.016 0.000 0.858 20 Q CB -0.393 28.333 28.738 -0.019 0.000 0.932 20 Q HN 0.464 nan 8.270 nan 0.000 0.416 21 L N 0.382 121.591 121.223 -0.024 0.000 1.997 21 L HA -0.304 4.029 4.340 -0.011 0.000 0.227 21 L C 2.362 179.220 176.870 -0.021 0.000 1.087 21 L CA 2.182 57.005 54.840 -0.027 0.000 0.797 21 L CB -0.510 41.534 42.059 -0.026 0.000 0.902 21 L HN 0.456 nan 8.230 nan 0.000 0.441 22 I N -0.650 119.910 120.570 -0.016 0.000 2.236 22 I HA -0.378 3.785 4.170 -0.011 0.000 0.249 22 I C 2.789 178.899 176.117 -0.011 0.000 1.102 22 I CA 1.577 62.870 61.300 -0.012 0.000 1.365 22 I CB -0.459 37.535 38.000 -0.010 0.000 1.051 22 I HN 0.357 nan 8.210 nan 0.000 0.420 23 R N 0.284 120.777 120.500 -0.011 0.000 2.062 23 R HA -0.134 4.199 4.340 -0.011 0.000 0.229 23 R C 2.387 178.682 176.300 -0.008 0.000 1.128 23 R CA 1.248 57.343 56.100 -0.008 0.000 0.960 23 R CB -0.183 30.112 30.300 -0.008 0.000 0.855 23 R HN 0.465 nan 8.270 nan 0.000 0.432 24 Q N 0.398 120.191 119.800 -0.012 0.000 2.124 24 Q HA -0.147 4.186 4.340 -0.011 0.000 0.202 24 Q C 2.253 178.248 176.000 -0.008 0.000 0.977 24 Q CA 1.177 56.973 55.803 -0.011 0.000 0.850 24 Q CB -0.079 28.645 28.738 -0.024 0.000 0.901 24 Q HN 0.354 nan 8.270 nan 0.000 0.429 25 L N 0.453 121.669 121.223 -0.012 0.000 1.990 25 L HA -0.225 4.108 4.340 -0.011 0.000 0.213 25 L C 2.158 179.024 176.870 -0.006 0.000 1.072 25 L CA 1.177 56.011 54.840 -0.010 0.000 0.755 25 L CB -0.472 41.580 42.059 -0.011 0.000 0.889 25 L HN 0.315 nan 8.230 nan 0.000 0.432 26 L N -0.568 120.651 121.223 -0.006 0.000 2.633 26 L HA -0.141 4.193 4.340 -0.011 0.000 0.235 26 L C 1.474 178.342 176.870 -0.003 0.000 1.163 26 L CA 0.368 55.205 54.840 -0.005 0.000 0.859 26 L CB -0.278 41.777 42.059 -0.005 0.000 0.973 26 L HN 0.223 nan 8.230 nan 0.000 0.451 27 E N -0.396 119.804 120.200 -0.001 0.000 2.603 27 E HA 0.126 4.469 4.350 -0.011 0.000 0.211 27 E C 0.452 177.057 176.600 0.007 0.000 0.995 27 E CA -0.179 56.223 56.400 0.003 0.000 0.990 27 E CB 0.382 30.086 29.700 0.006 0.000 1.036 27 E HN 0.146 nan 8.360 nan 0.000 0.475 28 R N 0.817 121.320 120.500 0.005 0.000 2.861 28 R HA -0.022 4.312 4.340 -0.011 0.000 0.268 28 R C -0.091 176.211 176.300 0.002 0.000 1.027 28 R CA 0.441 56.545 56.100 0.008 0.000 1.163 28 R CB 0.208 30.510 30.300 0.003 0.000 1.060 28 R HN 0.042 nan 8.270 nan 0.000 0.483 29 D N 1.117 121.519 120.400 0.002 0.000 2.692 29 D HA -0.176 4.458 4.640 -0.011 0.000 0.233 29 D C -1.075 175.219 176.300 -0.010 0.000 1.172 29 D CA 1.347 55.340 54.000 -0.011 0.000 0.636 29 D CB -0.419 40.364 40.800 -0.029 0.000 1.028 29 D HN 0.337 nan 8.370 nan 0.000 0.419 30 K N 0.811 121.211 120.400 0.000 0.000 2.484 30 K HA 0.271 4.585 4.320 -0.011 0.000 0.226 30 K C -0.426 176.177 176.600 0.005 0.000 1.031 30 K CA -0.429 55.858 56.287 0.001 0.000 1.026 30 K CB 1.193 33.694 32.500 0.003 0.000 1.412 30 K HN -0.035 nan 8.250 nan 0.000 0.492 31 T N 2.885 117.439 114.554 0.002 0.000 2.829 31 T HA 0.301 4.645 4.350 -0.011 0.000 0.282 31 T C -2.358 172.347 174.700 0.009 0.000 0.990 31 T CA -1.747 60.356 62.100 0.006 0.000 1.028 31 T CB 1.242 70.112 68.868 0.004 0.000 0.951 31 T HN 0.197 nan 8.240 nan 0.000 0.460 32 P HA 0.089 nan 4.420 nan 0.000 0.262 32 P C 0.997 178.311 177.300 0.023 0.000 1.182 32 P CA -0.244 62.864 63.100 0.013 0.000 0.761 32 P CB 0.507 32.215 31.700 0.013 0.000 0.795 33 L N 4.075 125.310 121.223 0.020 0.000 2.013 33 L HA -0.280 4.054 4.340 -0.011 0.000 0.212 33 L C 2.106 179.017 176.870 0.068 0.000 1.073 33 L CA 2.264 57.126 54.840 0.036 0.000 0.753 33 L CB -0.800 41.269 42.059 0.016 0.000 0.890 33 L HN 0.461 nan 8.230 nan 0.000 0.432 34 A N 0.367 123.214 122.820 0.046 0.000 1.896 34 A HA -0.307 4.007 4.320 -0.011 0.000 0.220 34 A C 2.151 179.802 177.584 0.112 0.000 1.206 34 A CA 2.486 54.565 52.037 0.070 0.000 0.647 34 A CB -1.096 17.919 19.000 0.025 0.000 0.828 34 A HN 0.574 nan 8.150 nan 0.000 0.455 35 I N -0.446 120.166 120.570 0.069 0.000 2.053 35 I HA -0.337 3.827 4.170 -0.011 0.000 0.236 35 I C 2.433 178.587 176.117 0.062 0.000 1.038 35 I CA 1.882 63.217 61.300 0.058 0.000 1.304 35 I CB -0.576 37.447 38.000 0.037 0.000 1.023 35 I HN 0.339 nan 8.210 nan 0.000 0.395 36 L N -0.388 120.871 121.223 0.061 0.000 2.211 36 L HA -0.280 4.053 4.340 -0.011 0.000 0.216 36 L C 2.453 179.361 176.870 0.063 0.000 1.092 36 L CA 1.416 56.289 54.840 0.055 0.000 0.767 36 L CB -0.634 41.459 42.059 0.057 0.000 0.894 36 L HN 0.299 nan 8.230 nan 0.000 0.437 37 F N -0.887 119.052 119.950 -0.018 0.000 2.615 37 F HA -0.048 4.472 4.527 -0.011 0.000 0.297 37 F C 2.242 178.026 175.800 -0.028 0.000 1.124 37 F CA 0.661 58.643 58.000 -0.030 0.000 1.451 37 F CB 0.132 39.097 39.000 -0.057 0.000 1.103 37 F HN -0.048 nan 8.300 nan 0.000 0.569 38 M N -0.042 119.517 119.600 -0.068 0.000 2.248 38 M HA 0.103 4.576 4.480 -0.011 0.000 0.265 38 M C 2.597 178.820 176.300 -0.129 0.000 1.079 38 M CA 1.232 56.475 55.300 -0.095 0.000 1.150 38 M CB -1.648 30.982 32.600 0.049 0.000 1.366 38 M HN 0.225 nan 8.290 nan 0.000 0.433 39 A N 0.741 123.515 122.820 -0.078 0.000 1.903 39 A HA -0.174 4.139 4.320 -0.011 0.000 0.219 39 A C 2.353 179.874 177.584 -0.105 0.000 1.191 39 A CA 2.651 54.652 52.037 -0.059 0.000 0.638 39 A CB -1.133 17.856 19.000 -0.017 0.000 0.823 39 A HN 0.494 nan 8.150 nan 0.000 0.451 40 A N -0.980 121.736 122.820 -0.173 0.000 2.070 40 A HA 0.066 4.380 4.320 -0.011 0.000 0.220 40 A C 2.123 179.574 177.584 -0.220 0.000 1.159 40 A CA 1.826 53.746 52.037 -0.194 0.000 0.656 40 A CB -0.650 18.203 19.000 -0.245 0.000 0.800 40 A HN 0.494 nan 8.150 nan 0.000 0.453 41 V N -1.116 118.633 119.914 -0.274 0.000 2.446 41 V HA -0.125 3.988 4.120 -0.011 0.000 0.244 41 V C 2.449 178.480 176.094 -0.105 0.000 1.039 41 V CA 1.342 63.529 62.300 -0.187 0.000 1.045 41 V CB -0.765 30.966 31.823 -0.154 0.000 0.681 41 V HN 0.317 nan 8.190 nan 0.000 0.459 42 V N 1.591 121.449 119.914 -0.093 0.000 2.214 42 V HA -0.242 3.871 4.120 -0.011 0.000 0.245 42 V C 2.795 178.846 176.094 -0.072 0.000 1.047 42 V CA 2.614 64.868 62.300 -0.077 0.000 0.998 42 V CB -1.636 30.151 31.823 -0.061 0.000 0.633 42 V HN 0.574 nan 8.190 nan 0.000 0.446 43 G N -0.646 108.117 108.800 -0.062 0.000 2.547 43 G HA2 -0.346 3.607 3.960 -0.011 0.000 0.221 43 G HA3 -0.346 3.607 3.960 -0.011 0.000 0.221 43 G C 1.628 176.502 174.900 -0.043 0.000 1.140 43 G CA 2.002 47.075 45.100 -0.046 0.000 0.760 43 G HN 0.511 nan 8.290 nan 0.000 0.583 44 T N 1.183 115.706 114.554 -0.052 0.000 2.643 44 T HA -0.088 4.256 4.350 -0.011 0.000 0.264 44 T C 2.369 177.040 174.700 -0.049 0.000 1.045 44 T CA 1.249 63.326 62.100 -0.038 0.000 1.155 44 T CB -0.343 68.499 68.868 -0.043 0.000 0.863 44 T HN 0.069 nan 8.240 nan 0.000 0.420 45 L N 1.025 122.207 121.223 -0.068 0.000 2.013 45 L HA -0.120 4.213 4.340 -0.011 0.000 0.212 45 L C 2.704 179.513 176.870 -0.102 0.000 1.073 45 L CA 1.301 56.088 54.840 -0.089 0.000 0.753 45 L CB -1.201 40.797 42.059 -0.103 0.000 0.890 45 L HN 0.125 nan 8.230 nan 0.000 0.432 46 V N -0.130 119.730 119.914 -0.090 0.000 2.282 46 V HA -0.323 3.790 4.120 -0.011 0.000 0.249 46 V C 2.548 178.598 176.094 -0.073 0.000 1.057 46 V CA 1.993 64.240 62.300 -0.089 0.000 1.032 46 V CB -1.698 30.085 31.823 -0.067 0.000 0.645 46 V HN 0.608 nan 8.190 nan 0.000 0.447 47 G N 0.682 109.455 108.800 -0.046 0.000 2.679 47 G HA2 -0.260 3.694 3.960 -0.011 0.000 0.217 47 G HA3 -0.260 3.694 3.960 -0.011 0.000 0.217 47 G C 1.369 176.227 174.900 -0.071 0.000 1.267 47 G CA 1.291 46.381 45.100 -0.017 0.000 0.799 47 G HN 0.353 nan 8.290 nan 0.000 0.606 48 L N 1.409 122.560 121.223 -0.119 0.000 2.137 48 L HA -0.163 4.171 4.340 -0.011 0.000 0.213 48 L C 3.274 180.025 176.870 -0.197 0.000 1.085 48 L CA 1.927 56.638 54.840 -0.214 0.000 0.760 48 L CB -1.882 40.065 42.059 -0.187 0.000 0.893 48 L HN 0.390 nan 8.230 nan 0.000 0.434 49 A N 0.340 123.059 122.820 -0.168 0.000 1.821 49 A HA -0.129 4.184 4.320 -0.011 0.000 0.215 49 A C 2.605 180.127 177.584 -0.104 0.000 1.216 49 A CA 2.256 54.172 52.037 -0.203 0.000 0.615 49 A CB -1.125 17.751 19.000 -0.207 0.000 0.862 49 A HN 0.368 nan 8.150 nan 0.000 0.450 50 A N -0.823 121.968 122.820 -0.048 0.000 1.909 50 A HA -0.189 4.125 4.320 -0.011 0.000 0.221 50 A C 2.265 179.912 177.584 0.105 0.000 1.223 50 A CA 2.618 54.688 52.037 0.055 0.000 0.658 50 A CB -1.468 17.553 19.000 0.035 0.000 0.831 50 A HN 0.593 nan 8.150 nan 0.000 0.462 51 V N -0.409 119.520 119.914 0.024 0.000 2.215 51 V HA -0.331 3.782 4.120 -0.011 0.000 0.249 51 V C 3.049 179.132 176.094 -0.019 0.000 1.054 51 V CA 2.568 64.851 62.300 -0.029 0.000 1.012 51 V CB -1.555 30.109 31.823 -0.265 0.000 0.639 51 V HN 0.751 nan 8.190 nan 0.000 0.448 52 A N -0.321 122.462 122.820 -0.062 0.000 1.870 52 A HA -0.345 3.968 4.320 -0.011 0.000 0.219 52 A C 2.120 179.828 177.584 0.207 0.000 1.224 52 A CA 2.619 54.665 52.037 0.015 0.000 0.650 52 A CB -1.093 17.875 19.000 -0.053 0.000 0.836 52 A HN 0.550 nan 8.150 nan 0.000 0.454 53 F N 1.194 121.250 119.950 0.176 0.000 2.111 53 F HA -0.290 4.231 4.527 -0.010 0.000 0.300 53 F C 1.876 177.727 175.800 0.086 0.000 1.088 53 F CA 2.550 60.725 58.000 0.290 0.000 1.243 53 F CB -0.579 38.556 39.000 0.225 0.000 0.996 53 F HN 0.438 nan 8.300 nan 0.000 0.483 54 D N -0.451 119.962 120.400 0.021 0.000 2.149 54 D HA -0.127 4.507 4.640 -0.011 0.000 0.201 54 D C 2.114 178.371 176.300 -0.072 0.000 0.972 54 D CA 1.075 55.012 54.000 -0.106 0.000 0.835 54 D CB -0.058 40.753 40.800 0.018 0.000 0.966 54 D HN 0.039 nan 8.370 nan 0.000 0.476 55 K N 0.323 120.713 120.400 -0.016 0.000 1.985 55 K HA -0.043 4.270 4.320 -0.011 0.000 0.210 55 K C 2.200 178.805 176.600 0.008 0.000 1.047 55 K CA 1.336 57.620 56.287 -0.005 0.000 0.932 55 K CB -1.150 31.341 32.500 -0.016 0.000 0.716 55 K HN 0.275 nan 8.250 nan 0.000 0.439 56 G N 1.338 110.133 108.800 -0.009 0.000 2.586 56 G HA2 -0.271 3.682 3.960 -0.011 0.000 0.218 56 G HA3 -0.271 3.682 3.960 -0.011 0.000 0.218 56 G C 1.702 176.599 174.900 -0.005 0.000 1.216 56 G CA 1.573 46.674 45.100 0.002 0.000 0.786 56 G HN 0.156 nan 8.290 nan 0.000 0.583 57 V N 1.670 121.468 119.914 -0.194 0.000 2.439 57 V HA -0.245 3.868 4.120 -0.011 0.000 0.253 57 V C 3.268 179.295 176.094 -0.112 0.000 1.074 57 V CA 2.274 64.432 62.300 -0.237 0.000 1.076 57 V CB -0.964 30.585 31.823 -0.455 0.000 0.664 57 V HN 0.558 nan 8.190 nan 0.000 0.461 58 A N -1.303 121.488 122.820 -0.050 0.000 1.897 58 A HA -0.226 4.088 4.320 -0.011 0.000 0.215 58 A C 1.910 179.518 177.584 0.040 0.000 1.181 58 A CA 1.447 53.479 52.037 -0.007 0.000 0.620 58 A CB -0.812 18.198 19.000 0.017 0.000 0.821 58 A HN 0.701 nan 8.150 nan 0.000 0.443 59 W N 0.812 122.058 121.300 -0.090 0.000 2.350 59 W HA -0.162 4.492 4.660 -0.010 0.000 0.289 59 W C 1.633 178.103 176.519 -0.082 0.000 1.215 59 W CA 1.909 59.209 57.345 -0.074 0.000 1.236 59 W CB -0.204 29.215 29.460 -0.069 0.000 1.130 59 W HN 0.263 nan 8.180 nan 0.000 0.541 60 L N -0.374 120.784 121.223 -0.108 0.000 2.095 60 L HA -0.151 4.182 4.340 -0.011 0.000 0.204 60 L C 2.591 179.292 176.870 -0.280 0.000 1.080 60 L CA 1.179 55.836 54.840 -0.305 0.000 0.759 60 L CB -1.058 40.912 42.059 -0.149 0.000 0.914 60 L HN -0.049 nan 8.230 nan 0.000 0.439 61 Q N -0.116 119.579 119.800 -0.175 0.000 2.291 61 Q HA -0.213 4.121 4.340 -0.011 0.000 0.206 61 Q C 1.842 177.741 176.000 -0.169 0.000 0.976 61 Q CA 1.299 57.016 55.803 -0.144 0.000 0.875 61 Q CB -0.178 28.506 28.738 -0.090 0.000 0.927 61 Q HN 0.543 nan 8.270 nan 0.000 0.450 62 N N -0.170 118.403 118.700 -0.212 0.000 2.051 62 N HA -0.206 4.528 4.740 -0.011 0.000 0.192 62 N C 1.655 176.988 175.510 -0.294 0.000 1.049 62 N CA 0.765 53.682 53.050 -0.220 0.000 0.845 62 N CB 0.205 38.554 38.487 -0.229 0.000 1.031 62 N HN 0.063 nan 8.380 nan 0.000 0.425 63 Q N 0.969 120.480 119.800 -0.481 0.000 2.173 63 Q HA -0.122 4.211 4.340 -0.011 0.000 0.208 63 Q C 1.276 177.100 176.000 -0.293 0.000 0.989 63 Q CA 1.281 56.813 55.803 -0.451 0.000 0.872 63 Q CB -0.381 27.979 28.738 -0.631 0.000 0.909 63 Q HN 0.391 nan 8.270 nan 0.000 0.420 64 R N -0.641 119.703 120.500 -0.259 0.000 2.366 64 R HA 0.028 4.361 4.340 -0.011 0.000 0.201 64 R C 0.981 177.167 176.300 -0.190 0.000 1.057 64 R CA 0.390 56.369 56.100 -0.202 0.000 1.086 64 R CB 0.037 30.234 30.300 -0.172 0.000 0.914 64 R HN 0.265 nan 8.270 nan 0.000 0.476 65 M N -2.209 117.284 119.600 -0.178 0.000 2.879 65 M HA 0.155 4.629 4.480 -0.011 0.000 0.241 65 M C 1.970 178.195 176.300 -0.126 0.000 1.523 65 M CA 0.727 55.935 55.300 -0.152 0.000 1.195 65 M CB -1.046 31.488 32.600 -0.110 0.000 1.277 65 M HN 0.103 nan 8.290 nan 0.000 0.557 66 G N 0.256 108.981 108.800 -0.125 0.000 2.740 66 G HA2 0.157 4.111 3.960 -0.011 0.000 0.208 66 G HA3 0.157 4.111 3.960 -0.011 0.000 0.208 66 G C 1.234 176.081 174.900 -0.089 0.000 1.148 66 G CA 1.148 46.194 45.100 -0.090 0.000 0.795 66 G HN 0.509 nan 8.290 nan 0.000 0.526 67 A N -0.508 122.239 122.820 -0.122 0.000 1.997 67 A HA 0.425 4.739 4.320 -0.011 0.000 0.198 67 A C 2.109 179.630 177.584 -0.105 0.000 1.449 67 A CA -0.013 51.946 52.037 -0.130 0.000 0.908 67 A CB 0.010 18.914 19.000 -0.159 0.000 0.984 67 A HN 0.228 nan 8.150 nan 0.000 0.487 68 L N -0.387 120.737 121.223 -0.165 0.000 2.109 68 L HA -0.084 4.249 4.340 -0.011 0.000 0.207 68 L C 2.450 179.242 176.870 -0.131 0.000 1.086 68 L CA 1.110 55.806 54.840 -0.240 0.000 0.760 68 L CB -0.291 41.485 42.059 -0.472 0.000 0.910 68 L HN 0.312 nan 8.230 nan 0.000 0.437 69 V N -0.478 119.394 119.914 -0.071 0.000 2.427 69 V HA -0.295 3.819 4.120 -0.011 0.000 0.248 69 V C 2.594 178.709 176.094 0.034 0.000 1.051 69 V CA 1.728 64.022 62.300 -0.010 0.000 1.048 69 V CB -0.586 31.233 31.823 -0.005 0.000 0.666 69 V HN 0.550 nan 8.190 nan 0.000 0.456 70 H N 1.009 120.049 119.070 -0.050 0.000 2.387 70 H HA -0.116 4.433 4.556 -0.011 0.000 0.299 70 H C 1.808 177.123 175.328 -0.022 0.000 1.099 70 H CA 2.030 58.059 56.048 -0.033 0.000 1.315 70 H CB -0.181 29.557 29.762 -0.041 0.000 1.380 70 H HN 0.613 nan 8.280 nan 0.000 0.513 71 T N -2.342 112.317 114.554 0.176 0.000 3.258 71 T HA 0.537 4.881 4.350 -0.011 0.000 0.263 71 T C 1.200 175.940 174.700 0.066 0.000 0.983 71 T CA 0.104 62.278 62.100 0.123 0.000 0.907 71 T CB -0.054 68.887 68.868 0.121 0.000 1.096 71 T HN 0.364 nan 8.240 nan 0.000 0.556 72 A N 1.475 124.326 122.820 0.053 0.000 2.258 72 A HA 0.175 4.488 4.320 -0.011 0.000 0.206 72 A C 1.494 179.141 177.584 0.105 0.000 1.222 72 A CA 0.572 52.664 52.037 0.093 0.000 0.822 72 A CB -0.447 18.602 19.000 0.083 0.000 0.804 72 A HN 0.746 nan 8.150 nan 0.000 0.483 73 D N -0.639 119.808 120.400 0.078 0.000 2.584 73 D HA -0.043 4.590 4.640 -0.011 0.000 0.254 73 D C 0.740 177.104 176.300 0.107 0.000 1.085 73 D CA 0.053 54.096 54.000 0.072 0.000 0.971 73 D CB -0.719 40.100 40.800 0.032 0.000 1.103 73 D HN 0.167 nan 8.370 nan 0.000 0.453 74 N N 0.078 118.837 118.700 0.098 0.000 2.420 74 N HA -0.048 4.686 4.740 -0.011 0.000 0.262 74 N C 0.078 175.689 175.510 0.169 0.000 1.144 74 N CA -0.134 52.986 53.050 0.117 0.000 0.952 74 N CB 0.493 39.028 38.487 0.080 0.000 1.081 74 N HN 0.105 nan 8.380 nan 0.000 0.480 75 Y N 7.187 127.527 120.300 0.065 0.000 2.062 75 Y HA -0.006 4.538 4.550 -0.010 0.000 0.272 75 Y C -0.895 175.060 175.900 0.093 0.000 1.117 75 Y CA 1.818 59.973 58.100 0.090 0.000 1.095 75 Y CB -1.137 37.361 38.460 0.063 0.000 0.985 75 Y HN 0.504 nan 8.280 nan 0.000 0.479 76 P HA -0.220 nan 4.420 nan 0.000 0.219 76 P C 1.619 178.907 177.300 -0.021 0.000 1.144 76 P CA 1.546 64.656 63.100 0.016 0.000 0.806 76 P CB -0.191 31.562 31.700 0.090 0.000 0.771 77 L N -1.165 120.069 121.223 0.017 0.000 1.994 77 L HA -0.166 4.168 4.340 -0.011 0.000 0.208 77 L C 2.067 178.928 176.870 -0.015 0.000 1.071 77 L CA 1.811 56.658 54.840 0.012 0.000 0.745 77 L CB -1.370 40.713 42.059 0.040 0.000 0.892 77 L HN -0.096 nan 8.230 nan 0.000 0.431 78 L N -1.352 119.856 121.223 -0.025 0.000 1.924 78 L HA -0.288 4.045 4.340 -0.011 0.000 0.222 78 L C 2.534 179.376 176.870 -0.047 0.000 1.081 78 L CA 1.466 56.276 54.840 -0.050 0.000 0.780 78 L CB -0.967 41.104 42.059 0.019 0.000 0.891 78 L HN 0.256 nan 8.230 nan 0.000 0.434 79 L N -0.430 120.746 121.223 -0.079 0.000 2.119 79 L HA -0.382 3.952 4.340 -0.011 0.000 0.226 79 L C 2.542 179.429 176.870 0.028 0.000 1.093 79 L CA 2.508 57.330 54.840 -0.030 0.000 0.806 79 L CB -1.800 40.163 42.059 -0.159 0.000 0.902 79 L HN 0.493 nan 8.230 nan 0.000 0.444 80 T N 0.003 114.546 114.554 -0.018 0.000 2.614 80 T HA -0.145 4.199 4.350 -0.011 0.000 0.263 80 T C 1.963 176.695 174.700 0.055 0.000 1.055 80 T CA 2.061 64.156 62.100 -0.009 0.000 1.162 80 T CB -0.513 68.331 68.868 -0.041 0.000 0.863 80 T HN 0.397 nan 8.240 nan 0.000 0.414 81 V N 1.251 121.173 119.914 0.012 0.000 2.324 81 V HA -0.061 4.053 4.120 -0.011 0.000 0.250 81 V C 2.266 178.367 176.094 0.012 0.000 1.060 81 V CA 1.620 63.920 62.300 0.001 0.000 1.042 81 V CB -1.554 30.241 31.823 -0.046 0.000 0.650 81 V HN 0.442 nan 8.190 nan 0.000 0.450 82 A N -1.812 121.008 122.820 -0.000 0.000 2.281 82 A HA 0.400 4.714 4.320 -0.011 0.000 0.231 82 A C 1.424 179.074 177.584 0.109 0.000 1.317 82 A CA 0.934 52.968 52.037 -0.005 0.000 0.959 82 A CB -0.823 18.143 19.000 -0.057 0.000 0.900 82 A HN 0.817 nan 8.150 nan 0.000 0.497 83 F N -1.862 118.071 119.950 -0.029 0.000 2.411 83 F HA 0.239 4.759 4.527 -0.012 0.000 0.286 83 F C 1.315 177.108 175.800 -0.012 0.000 0.858 83 F CA 0.237 58.232 58.000 -0.008 0.000 1.080 83 F CB -0.091 38.907 39.000 -0.002 0.000 0.961 83 F HN 0.087 nan 8.300 nan 0.000 0.742 84 L N 0.183 121.632 121.223 0.375 0.000 1.976 84 L HA -0.269 4.065 4.340 -0.011 0.000 0.209 84 L C 2.436 179.345 176.870 0.065 0.000 1.071 84 L CA 1.918 56.898 54.840 0.233 0.000 0.746 84 L CB -1.041 41.101 42.059 0.139 0.000 0.890 84 L HN 0.326 nan 8.230 nan 0.000 0.432 85 C N -0.738 118.571 119.300 0.015 0.000 2.401 85 C HA -0.180 4.274 4.460 -0.011 0.000 0.276 85 C C 3.146 178.102 174.990 -0.057 0.000 1.233 85 C CA 1.275 60.271 59.018 -0.038 0.000 1.753 85 C CB -0.773 26.923 27.740 -0.073 0.000 2.029 85 C HN 0.517 nan 8.230 nan 0.000 0.478 86 S N 0.424 116.075 115.700 -0.082 0.000 2.387 86 S HA -0.034 4.429 4.470 -0.011 0.000 0.226 86 S C 2.135 176.670 174.600 -0.108 0.000 1.026 86 S CA 1.193 59.328 58.200 -0.107 0.000 0.972 86 S CB -0.332 62.780 63.200 -0.146 0.000 0.814 86 S HN 0.723 nan 8.310 nan 0.000 0.477 87 A N 1.112 123.840 122.820 -0.152 0.000 1.872 87 A HA 0.023 4.336 4.320 -0.011 0.000 0.214 87 A C 2.307 179.892 177.584 0.003 0.000 1.187 87 A CA 1.151 53.119 52.037 -0.114 0.000 0.614 87 A CB -0.923 18.000 19.000 -0.128 0.000 0.826 87 A HN 0.305 nan 8.150 nan 0.000 0.442 88 V N 0.494 120.422 119.914 0.024 0.000 2.282 88 V HA -0.300 3.813 4.120 -0.011 0.000 0.249 88 V C 2.607 178.758 176.094 0.096 0.000 1.057 88 V CA 2.158 64.494 62.300 0.061 0.000 1.032 88 V CB -0.777 31.070 31.823 0.041 0.000 0.645 88 V HN 0.564 nan 8.190 nan 0.000 0.447 89 L N -0.290 120.962 121.223 0.048 0.000 2.027 89 L HA -0.134 4.200 4.340 -0.011 0.000 0.206 89 L C 2.800 179.753 176.870 0.139 0.000 1.074 89 L CA 1.602 56.476 54.840 0.057 0.000 0.745 89 L CB -1.004 41.038 42.059 -0.028 0.000 0.898 89 L HN 0.367 nan 8.230 nan 0.000 0.433 90 A N 0.240 123.129 122.820 0.114 0.000 1.892 90 A HA -0.273 4.040 4.320 -0.011 0.000 0.218 90 A C 2.334 180.120 177.584 0.336 0.000 1.188 90 A CA 2.094 54.255 52.037 0.206 0.000 0.631 90 A CB -0.576 18.547 19.000 0.204 0.000 0.822 90 A HN 0.341 nan 8.150 nan 0.000 0.447 91 M N -2.150 117.592 119.600 0.236 0.000 2.082 91 M HA -0.158 4.315 4.480 -0.011 0.000 0.258 91 M C 2.195 178.675 176.300 0.300 0.000 1.071 91 M CA 2.161 57.592 55.300 0.219 0.000 1.103 91 M CB -0.668 31.998 32.600 0.111 0.000 1.307 91 M HN 0.504 nan 8.290 nan 0.000 0.409 92 F N 1.218 121.256 119.950 0.147 0.000 2.236 92 F HA -0.153 4.367 4.527 -0.011 0.000 0.302 92 F C 1.967 177.837 175.800 0.117 0.000 1.073 92 F CA 1.558 59.654 58.000 0.159 0.000 1.336 92 F CB -0.721 38.330 39.000 0.085 0.000 1.040 92 F HN 0.057 nan 8.300 nan 0.000 0.507 93 G N -0.830 108.192 108.800 0.370 0.000 2.547 93 G HA2 -0.276 3.678 3.960 -0.011 0.000 0.214 93 G HA3 -0.276 3.678 3.960 -0.011 0.000 0.214 93 G C 1.371 176.287 174.900 0.026 0.000 1.254 93 G CA 0.829 46.030 45.100 0.168 0.000 0.817 93 G HN 0.417 nan 8.290 nan 0.000 0.551 94 Y N 0.109 120.392 120.300 -0.029 0.000 2.181 94 Y HA -0.194 4.349 4.550 -0.011 0.000 0.284 94 Y C 2.401 178.264 175.900 -0.063 0.000 1.179 94 Y CA 1.640 59.654 58.100 -0.143 0.000 1.179 94 Y CB -0.597 37.744 38.460 -0.198 0.000 0.973 94 Y HN 0.270 nan 8.280 nan 0.000 0.519 95 F N -0.169 119.775 119.950 -0.010 0.000 2.046 95 F HA -0.265 4.256 4.527 -0.011 0.000 0.297 95 F C 1.927 177.653 175.800 -0.124 0.000 1.123 95 F CA 0.764 58.715 58.000 -0.083 0.000 1.199 95 F CB -0.235 38.676 39.000 -0.148 0.000 0.972 95 F HN -0.082 nan 8.300 nan 0.000 0.474 96 L N 0.480 121.453 121.223 -0.418 0.000 2.651 96 L HA -0.162 4.172 4.340 -0.011 0.000 0.236 96 L C 1.748 178.477 176.870 -0.235 0.000 1.173 96 L CA 0.689 55.197 54.840 -0.554 0.000 0.843 96 L CB -1.126 40.647 42.059 -0.477 0.000 0.964 96 L HN 0.220 nan 8.230 nan 0.000 0.454 97 V N -0.901 118.931 119.914 -0.137 0.000 2.635 97 V HA -0.056 4.058 4.120 -0.011 0.000 0.233 97 V C 2.452 178.509 176.094 -0.061 0.000 1.097 97 V CA 0.435 62.666 62.300 -0.116 0.000 1.134 97 V CB -0.213 31.485 31.823 -0.208 0.000 0.841 97 V HN 0.308 nan 8.190 nan 0.000 0.496 98 R N 1.012 121.473 120.500 -0.065 0.000 2.103 98 R HA -0.205 4.128 4.340 -0.011 0.000 0.242 98 R C 2.013 178.354 176.300 0.069 0.000 1.142 98 R CA 1.507 57.606 56.100 -0.001 0.000 0.960 98 R CB -0.576 29.744 30.300 0.033 0.000 0.858 98 R HN 0.267 nan 8.270 nan 0.000 0.439 99 K N -0.540 119.942 120.400 0.136 0.000 2.444 99 K HA 0.004 4.317 4.320 -0.011 0.000 0.193 99 K C 0.288 176.769 176.600 -0.199 0.000 1.024 99 K CA 0.666 56.986 56.287 0.055 0.000 1.077 99 K CB 0.282 32.929 32.500 0.246 0.000 0.833 99 K HN 0.193 nan 8.250 nan 0.000 0.517 100 Y N -2.566 117.656 120.300 -0.129 0.000 2.450 100 Y HA 0.424 4.967 4.550 -0.011 0.000 0.279 100 Y C -0.147 175.685 175.900 -0.112 0.000 1.106 100 Y CA -0.246 57.776 58.100 -0.130 0.000 1.143 100 Y CB 1.235 39.581 38.460 -0.190 0.000 1.328 100 Y HN -0.022 nan 8.280 nan 0.000 0.553 101 A N -0.177 122.658 122.820 0.026 0.000 3.330 101 A HA 0.461 4.774 4.320 -0.011 0.000 0.256 101 A C -2.407 175.146 177.584 -0.052 0.000 1.185 101 A CA -0.745 51.270 52.037 -0.037 0.000 0.940 101 A CB -0.003 18.962 19.000 -0.058 0.000 1.397 101 A HN -0.023 nan 8.150 nan 0.000 0.678 102 P HA -0.302 nan 4.420 nan 0.000 0.219 102 P C 1.380 178.659 177.300 -0.035 0.000 1.151 102 P CA 2.231 65.314 63.100 -0.028 0.000 0.850 102 P CB 0.221 31.933 31.700 0.020 0.000 0.784 103 E N -0.157 120.020 120.200 -0.037 0.000 2.038 103 E HA -0.201 4.142 4.350 -0.011 0.000 0.195 103 E C 2.168 178.741 176.600 -0.045 0.000 1.000 103 E CA 1.248 57.628 56.400 -0.034 0.000 0.803 103 E CB -1.252 28.419 29.700 -0.049 0.000 0.750 103 E HN 0.122 nan 8.360 nan 0.000 0.448 104 A N 2.319 125.100 122.820 -0.065 0.000 1.915 104 A HA -0.146 4.168 4.320 -0.011 0.000 0.220 104 A C 1.876 179.410 177.584 -0.083 0.000 1.198 104 A CA 1.575 53.570 52.037 -0.070 0.000 0.647 104 A CB -1.731 17.222 19.000 -0.079 0.000 0.825 104 A HN 0.354 nan 8.150 nan 0.000 0.456 105 G N -0.850 107.875 108.800 -0.124 0.000 2.150 105 G HA2 0.518 4.472 3.960 -0.011 0.000 0.250 105 G HA3 0.518 4.472 3.960 -0.011 0.000 0.250 105 G C 0.522 175.347 174.900 -0.125 0.000 1.179 105 G CA 0.613 45.608 45.100 -0.175 0.000 0.934 105 G HN 1.780 nan 8.290 nan 0.000 0.453 106 G N 0.851 109.567 108.800 -0.140 0.000 2.343 106 G HA2 0.431 4.385 3.960 -0.011 0.000 0.465 106 G HA3 0.431 4.385 3.960 -0.011 0.000 0.465 106 G C 0.860 175.808 174.900 0.081 0.000 1.282 106 G CA 0.313 45.342 45.100 -0.118 0.000 0.996 106 G HN 1.553 nan 8.290 nan 0.000 0.521 107 A N -1.299 121.708 122.820 0.311 0.000 1.865 107 A HA 0.415 4.729 4.320 -0.011 0.000 0.217 107 A C 2.817 180.515 177.584 0.190 0.000 1.191 107 A CA 3.934 56.188 52.037 0.362 0.000 0.623 107 A CB -0.847 18.401 19.000 0.414 0.000 0.826 107 A HN 3.002 nan 8.150 nan 0.000 0.444 108 G N -2.308 106.584 108.800 0.153 0.000 2.284 108 G HA2 -0.199 3.755 3.960 -0.011 0.000 0.201 108 G HA3 -0.199 3.755 3.960 -0.011 0.000 0.201 108 G C 0.951 175.920 174.900 0.114 0.000 0.998 108 G CA 0.348 45.503 45.100 0.092 0.000 0.651 108 G HN 0.371 nan 8.290 nan 0.000 0.489 109 I N 1.547 122.220 120.570 0.172 0.000 2.235 109 I HA -0.010 4.154 4.170 -0.011 0.000 0.241 109 I C 0.054 176.272 176.117 0.167 0.000 1.085 109 I CA 1.356 62.781 61.300 0.207 0.000 1.378 109 I CB -0.695 37.488 38.000 0.305 0.000 1.076 109 I HN 0.077 nan 8.210 nan 0.000 0.415 110 P HA -0.197 nan 4.420 nan 0.000 0.217 110 P C 1.272 178.623 177.300 0.085 0.000 1.148 110 P CA 1.381 64.554 63.100 0.121 0.000 0.834 110 P CB -0.018 31.758 31.700 0.126 0.000 0.783 111 E N -0.638 119.608 120.200 0.076 0.000 2.006 111 E HA -0.112 4.231 4.350 -0.011 0.000 0.192 111 E C 2.129 178.753 176.600 0.039 0.000 0.993 111 E CA 0.944 57.372 56.400 0.047 0.000 0.808 111 E CB -0.984 28.735 29.700 0.032 0.000 0.764 111 E HN 0.150 nan 8.360 nan 0.000 0.449 112 I N 1.558 122.156 120.570 0.047 0.000 2.185 112 I HA -0.303 3.860 4.170 -0.011 0.000 0.246 112 I C 2.507 178.632 176.117 0.014 0.000 1.088 112 I CA 1.458 62.779 61.300 0.035 0.000 1.347 112 I CB -1.094 36.944 38.000 0.063 0.000 1.041 112 I HN 0.254 nan 8.210 nan 0.000 0.415 113 E N 0.575 120.794 120.200 0.031 0.000 2.058 113 E HA -0.192 4.152 4.350 -0.011 0.000 0.194 113 E C 2.309 178.904 176.600 -0.007 0.000 0.997 113 E CA 1.714 58.115 56.400 0.001 0.000 0.801 113 E CB -0.373 29.350 29.700 0.039 0.000 0.746 113 E HN 0.494 nan 8.360 nan 0.000 0.450 114 G N 0.404 109.213 108.800 0.016 0.000 2.414 114 G HA2 -0.244 3.709 3.960 -0.011 0.000 0.215 114 G HA3 -0.244 3.709 3.960 -0.011 0.000 0.215 114 G C 1.711 176.609 174.900 -0.003 0.000 1.188 114 G CA 0.929 46.037 45.100 0.014 0.000 0.783 114 G HN 0.438 nan 8.290 nan 0.000 0.537 115 A N 0.476 123.296 122.820 0.001 0.000 2.054 115 A HA -0.053 4.261 4.320 -0.011 0.000 0.223 115 A C 2.340 179.899 177.584 -0.042 0.000 1.169 115 A CA 1.395 53.434 52.037 0.002 0.000 0.655 115 A CB -0.409 18.599 19.000 0.014 0.000 0.812 115 A HN 0.389 nan 8.150 nan 0.000 0.462 116 L N -1.090 120.075 121.223 -0.098 0.000 2.376 116 L HA -0.058 4.276 4.340 -0.011 0.000 0.219 116 L C 1.876 178.586 176.870 -0.267 0.000 1.133 116 L CA 0.804 55.498 54.840 -0.244 0.000 0.816 116 L CB -0.192 41.739 42.059 -0.213 0.000 0.933 116 L HN 0.417 nan 8.230 nan 0.000 0.449 117 E N -1.039 119.100 120.200 -0.101 0.000 2.498 117 E HA -0.019 4.324 4.350 -0.011 0.000 0.203 117 E C -0.228 176.381 176.600 0.016 0.000 1.013 117 E CA 0.062 56.443 56.400 -0.033 0.000 0.927 117 E CB 0.624 30.329 29.700 0.009 0.000 1.012 117 E HN 0.282 nan 8.360 nan 0.000 0.482 118 D N 0.445 120.858 120.400 0.021 0.000 3.099 118 D HA -0.157 4.476 4.640 -0.011 0.000 0.213 118 D C 1.093 177.422 176.300 0.049 0.000 1.121 118 D CA 0.580 54.615 54.000 0.058 0.000 0.951 118 D CB -0.719 40.136 40.800 0.090 0.000 1.102 118 D HN 0.226 nan 8.370 nan 0.000 0.423 119 Q N -0.461 119.361 119.800 0.035 0.000 2.250 119 Q HA 0.058 4.392 4.340 -0.011 0.000 0.200 119 Q C 1.101 177.122 176.000 0.034 0.000 0.941 119 Q CA 0.901 56.724 55.803 0.033 0.000 0.872 119 Q CB 0.546 29.300 28.738 0.028 0.000 0.965 119 Q HN 0.313 nan 8.270 nan 0.000 0.480 120 R N 0.730 121.249 120.500 0.032 0.000 2.828 120 R HA 0.606 4.939 4.340 -0.011 0.000 0.264 120 R C -2.285 174.037 176.300 0.036 0.000 1.022 120 R CA -2.255 53.863 56.100 0.030 0.000 1.021 120 R CB -0.384 29.929 30.300 0.023 0.000 1.163 120 R HN -0.058 nan 8.270 nan 0.000 0.494 121 P HA 0.363 nan 4.420 nan 0.000 0.298 121 P C -0.726 176.569 177.300 -0.007 0.000 1.334 121 P CA -0.786 62.336 63.100 0.038 0.000 0.942 121 P CB 1.350 33.081 31.700 0.052 0.000 1.162 122 V N 3.297 123.223 119.914 0.021 0.000 2.112 122 V HA 0.190 4.303 4.120 -0.011 0.000 0.271 122 V C 1.122 177.077 176.094 -0.232 0.000 1.465 122 V CA -0.238 62.055 62.300 -0.011 0.000 1.419 122 V CB -1.013 30.879 31.823 0.114 0.000 1.409 122 V HN 0.446 nan 8.190 nan 0.000 0.495 123 R N 3.208 123.379 120.500 -0.549 0.000 5.015 123 R HA -0.035 4.299 4.340 -0.011 0.000 0.181 123 R C 1.680 177.083 176.300 -1.495 0.000 2.160 123 R CA -0.060 55.127 56.100 -1.522 0.000 1.752 123 R CB -0.187 29.532 30.300 -0.968 0.000 1.324 123 R HN 0.940 nan 8.270 nan 0.000 0.820 124 W N 0.646 121.439 121.300 -0.846 0.000 2.308 124 W HA -0.265 4.388 4.660 -0.011 0.000 0.301 124 W C 0.729 177.070 176.519 -0.296 0.000 1.220 124 W CA 0.797 57.905 57.345 -0.394 0.000 1.240 124 W CB -1.277 28.107 29.460 -0.127 0.000 1.142 124 W HN 0.433 nan 8.180 nan 0.000 0.521 125 W N 1.432 122.124 121.300 -1.014 0.000 2.747 125 W HA 0.151 4.805 4.660 -0.010 0.000 0.244 125 W C 1.984 178.333 176.519 -0.283 0.000 1.270 125 W CA 1.027 57.874 57.345 -0.829 0.000 1.333 125 W CB -1.076 27.751 29.460 -1.055 0.000 1.139 125 W HN -0.160 nan 8.180 nan 0.000 0.662 126 R N -0.163 120.001 120.500 -0.559 0.000 2.411 126 R HA 0.064 4.397 4.340 -0.011 0.000 0.176 126 R C 2.211 178.415 176.300 -0.161 0.000 1.072 126 R CA 0.609 56.548 56.100 -0.268 0.000 1.132 126 R CB -0.607 29.493 30.300 -0.333 0.000 1.203 126 R HN 0.031 nan 8.270 nan 0.000 0.537 127 V N 2.856 122.631 119.914 -0.232 0.000 2.277 127 V HA -0.347 3.767 4.120 -0.011 0.000 0.253 127 V C 2.413 178.484 176.094 -0.038 0.000 1.067 127 V CA 1.981 64.207 62.300 -0.123 0.000 1.047 127 V CB -0.608 31.132 31.823 -0.138 0.000 0.649 127 V HN 0.271 nan 8.190 nan 0.000 0.447 128 L N 0.369 121.597 121.223 0.008 0.000 1.924 128 L HA -0.150 4.183 4.340 -0.011 0.000 0.222 128 L C 0.515 177.444 176.870 0.099 0.000 1.081 128 L CA 2.489 57.353 54.840 0.040 0.000 0.780 128 L CB -2.336 39.781 42.059 0.098 0.000 0.891 128 L HN 0.332 nan 8.230 nan 0.000 0.434 129 P HA -0.168 nan 4.420 nan 0.000 0.216 129 P C 1.847 179.335 177.300 0.312 0.000 1.154 129 P CA 1.708 65.005 63.100 0.328 0.000 0.865 129 P CB -0.091 31.771 31.700 0.270 0.000 0.789 130 V N 1.199 121.188 119.914 0.124 0.000 2.214 130 V HA -0.262 3.852 4.120 -0.011 0.000 0.245 130 V C 2.867 179.002 176.094 0.069 0.000 1.047 130 V CA 2.660 64.989 62.300 0.048 0.000 0.998 130 V CB -1.377 30.436 31.823 -0.018 0.000 0.633 130 V HN 0.096 nan 8.190 nan 0.000 0.446 131 K N -0.196 120.217 120.400 0.021 0.000 2.044 131 K HA -0.236 4.077 4.320 -0.011 0.000 0.210 131 K C 1.933 178.538 176.600 0.008 0.000 1.049 131 K CA 2.135 58.410 56.287 -0.021 0.000 0.927 131 K CB -0.676 31.777 32.500 -0.078 0.000 0.713 131 K HN 0.420 nan 8.250 nan 0.000 0.443 132 F N -0.300 119.556 119.950 -0.157 0.000 1.993 132 F HA -0.253 4.267 4.527 -0.011 0.000 0.297 132 F C 1.748 177.541 175.800 -0.011 0.000 1.177 132 F CA 1.810 59.682 58.000 -0.215 0.000 1.182 132 F CB -0.452 38.373 39.000 -0.292 0.000 0.958 132 F HN 0.025 nan 8.300 nan 0.000 0.496 133 F N 1.218 121.093 119.950 -0.124 0.000 2.091 133 F HA -0.155 4.366 4.527 -0.011 0.000 0.299 133 F C 2.630 178.445 175.800 0.026 0.000 1.103 133 F CA 1.538 59.443 58.000 -0.159 0.000 1.228 133 F CB -1.555 37.478 39.000 0.055 0.000 0.984 133 F HN 0.186 nan 8.300 nan 0.000 0.477 134 G N -0.162 108.787 108.800 0.249 0.000 2.628 134 G HA2 -0.272 3.681 3.960 -0.011 0.000 0.217 134 G HA3 -0.272 3.681 3.960 -0.011 0.000 0.217 134 G C 2.091 177.061 174.900 0.117 0.000 1.240 134 G CA 1.150 46.346 45.100 0.161 0.000 0.792 134 G HN 0.548 nan 8.290 nan 0.000 0.593 135 G N 0.797 109.667 108.800 0.117 0.000 2.513 135 G HA2 -0.234 3.719 3.960 -0.011 0.000 0.219 135 G HA3 -0.234 3.719 3.960 -0.011 0.000 0.219 135 G C 1.808 176.761 174.900 0.089 0.000 1.160 135 G CA 1.244 46.452 45.100 0.180 0.000 0.767 135 G HN 0.364 nan 8.290 nan 0.000 0.571 136 L N 1.517 122.758 121.223 0.031 0.000 2.064 136 L HA -0.057 4.277 4.340 -0.011 0.000 0.216 136 L C 2.975 179.788 176.870 -0.095 0.000 1.077 136 L CA 1.975 56.728 54.840 -0.144 0.000 0.766 136 L CB -0.996 40.920 42.059 -0.238 0.000 0.890 136 L HN 0.293 nan 8.230 nan 0.000 0.435 137 G N -1.201 107.584 108.800 -0.026 0.000 2.770 137 G HA2 -0.259 3.695 3.960 -0.011 0.000 0.212 137 G HA3 -0.259 3.695 3.960 -0.011 0.000 0.212 137 G C 1.512 176.406 174.900 -0.009 0.000 1.357 137 G CA 1.826 46.922 45.100 -0.006 0.000 0.837 137 G HN 0.418 nan 8.290 nan 0.000 0.610 138 T N 0.514 115.074 114.554 0.011 0.000 2.635 138 T HA -0.277 4.067 4.350 -0.011 0.000 0.265 138 T C 2.350 177.035 174.700 -0.024 0.000 1.058 138 T CA 1.821 63.912 62.100 -0.014 0.000 1.162 138 T CB -0.589 68.234 68.868 -0.075 0.000 0.859 138 T HN 0.144 nan 8.240 nan 0.000 0.449 139 L N 1.073 122.273 121.223 -0.038 0.000 1.982 139 L HA 0.127 4.461 4.340 -0.011 0.000 0.206 139 L C 3.328 180.142 176.870 -0.093 0.000 1.078 139 L CA 1.502 56.300 54.840 -0.070 0.000 0.749 139 L CB -1.319 40.665 42.059 -0.126 0.000 0.894 139 L HN 0.500 nan 8.230 nan 0.000 0.436 140 G N -0.454 108.272 108.800 -0.124 0.000 2.517 140 G HA2 -0.263 3.691 3.960 -0.011 0.000 0.222 140 G HA3 -0.263 3.691 3.960 -0.011 0.000 0.222 140 G C 1.470 176.309 174.900 -0.102 0.000 1.109 140 G CA 0.940 45.966 45.100 -0.123 0.000 0.746 140 G HN 0.555 nan 8.290 nan 0.000 0.576 141 G N -0.068 108.685 108.800 -0.079 0.000 2.402 141 G HA2 0.311 4.264 3.960 -0.011 0.000 0.216 141 G HA3 0.311 4.264 3.960 -0.011 0.000 0.216 141 G C 1.166 176.030 174.900 -0.060 0.000 1.162 141 G CA 0.873 45.932 45.100 -0.069 0.000 0.777 141 G HN 1.575 nan 8.290 nan 0.000 0.539 142 G N -0.931 107.841 108.800 -0.045 0.000 2.245 142 G HA2 -0.127 3.826 3.960 -0.011 0.000 0.130 142 G HA3 -0.127 3.826 3.960 -0.011 0.000 0.130 142 G C 0.100 174.996 174.900 -0.008 0.000 1.040 142 G CA -0.003 45.080 45.100 -0.027 0.000 0.713 142 G HN 0.374 nan 8.290 nan 0.000 0.488 143 M N -0.296 119.303 119.600 -0.001 0.000 2.245 143 M HA 0.470 4.943 4.480 -0.011 0.000 0.292 143 M C 1.177 177.498 176.300 0.034 0.000 1.176 143 M CA -0.713 54.600 55.300 0.023 0.000 1.035 143 M CB 1.309 33.931 32.600 0.038 0.000 1.440 143 M HN -0.069 nan 8.290 nan 0.000 0.494 144 V N 3.286 123.234 119.914 0.057 0.000 1.973 144 V HA 0.216 4.329 4.120 -0.011 0.000 0.255 144 V C -0.180 175.966 176.094 0.087 0.000 1.605 144 V CA 0.298 62.637 62.300 0.065 0.000 1.542 144 V CB -1.806 30.064 31.823 0.079 0.000 1.504 144 V HN 0.496 nan 8.190 nan 0.000 0.505 145 L N 1.051 122.309 121.223 0.059 0.000 2.415 145 L HA 0.807 5.140 4.340 -0.011 0.000 0.256 145 L C 0.569 177.445 176.870 0.010 0.000 1.010 145 L CA -0.612 54.274 54.840 0.077 0.000 0.826 145 L CB 2.312 44.434 42.059 0.105 0.000 1.405 145 L HN 0.449 nan 8.230 nan 0.000 0.410 146 G N -0.088 108.717 108.800 0.009 0.000 2.511 146 G HA2 0.538 4.492 3.960 -0.011 0.000 0.316 146 G HA3 0.538 4.492 3.960 -0.011 0.000 0.316 146 G C 0.146 175.040 174.900 -0.009 0.000 1.210 146 G CA -0.551 44.502 45.100 -0.079 0.000 0.969 146 G HN 0.803 nan 8.290 nan 0.000 0.492 147 R N -0.719 119.751 120.500 -0.051 0.000 2.509 147 R HA 0.196 4.530 4.340 -0.011 0.000 0.300 147 R C 0.964 177.325 176.300 0.102 0.000 0.985 147 R CA -0.308 55.863 56.100 0.118 0.000 1.092 147 R CB 0.250 30.546 30.300 -0.006 0.000 1.237 147 R HN 0.376 nan 8.270 nan 0.000 0.546 148 Q N 1.390 121.150 119.800 -0.067 0.000 1.911 148 Q HA 0.050 4.384 4.340 -0.011 0.000 0.202 148 Q C 2.216 178.200 176.000 -0.026 0.000 0.976 148 Q CA 1.812 57.531 55.803 -0.141 0.000 0.845 148 Q CB -1.054 27.551 28.738 -0.222 0.000 0.903 148 Q HN 0.389 nan 8.270 nan 0.000 0.437 149 G N 2.581 111.397 108.800 0.026 0.000 2.597 149 G HA2 -0.260 3.693 3.960 -0.011 0.000 0.222 149 G HA3 -0.260 3.693 3.960 -0.011 0.000 0.222 149 G C -0.966 173.949 174.900 0.025 0.000 1.135 149 G CA 1.183 46.314 45.100 0.051 0.000 0.759 149 G HN 0.334 nan 8.290 nan 0.000 0.595 150 P HA -0.036 nan 4.420 nan 0.000 0.218 150 P C 1.905 179.087 177.300 -0.196 0.000 1.146 150 P CA 1.604 64.667 63.100 -0.061 0.000 0.813 150 P CB -0.092 31.645 31.700 0.062 0.000 0.778 151 T N -1.718 112.769 114.554 -0.112 0.000 2.978 151 T HA -0.026 4.317 4.350 -0.011 0.000 0.262 151 T C 1.755 176.401 174.700 -0.091 0.000 1.063 151 T CA 0.640 62.664 62.100 -0.127 0.000 1.140 151 T CB -0.722 68.115 68.868 -0.051 0.000 0.886 151 T HN -0.127 nan 8.240 nan 0.000 0.470 152 V N 1.868 121.745 119.914 -0.061 0.000 2.255 152 V HA -0.272 3.842 4.120 -0.011 0.000 0.247 152 V C 2.625 178.714 176.094 -0.008 0.000 1.051 152 V CA 2.034 64.320 62.300 -0.024 0.000 1.018 152 V CB -0.734 31.086 31.823 -0.005 0.000 0.641 152 V HN 0.479 nan 8.190 nan 0.000 0.445 153 Q N -0.268 119.523 119.800 -0.015 0.000 2.020 153 Q HA -0.193 4.140 4.340 -0.011 0.000 0.202 153 Q C 2.294 178.261 176.000 -0.055 0.000 0.982 153 Q CA 2.171 57.962 55.803 -0.019 0.000 0.838 153 Q CB -0.223 28.503 28.738 -0.020 0.000 0.899 153 Q HN 0.632 nan 8.270 nan 0.000 0.423 154 I N 0.698 121.204 120.570 -0.106 0.000 2.315 154 I HA -0.273 3.891 4.170 -0.011 0.000 0.251 154 I C 2.213 178.264 176.117 -0.110 0.000 1.125 154 I CA 1.102 62.319 61.300 -0.137 0.000 1.392 154 I CB -0.730 37.128 38.000 -0.237 0.000 1.065 154 I HN 0.425 nan 8.210 nan 0.000 0.424 155 G N 0.738 109.486 108.800 -0.087 0.000 2.524 155 G HA2 -0.181 3.773 3.960 -0.011 0.000 0.215 155 G HA3 -0.181 3.773 3.960 -0.011 0.000 0.215 155 G C 1.719 176.585 174.900 -0.056 0.000 1.239 155 G CA 0.817 45.875 45.100 -0.069 0.000 0.798 155 G HN 0.451 nan 8.290 nan 0.000 0.557 156 G N 1.199 109.982 108.800 -0.029 0.000 2.556 156 G HA2 -0.368 3.586 3.960 -0.011 0.000 0.220 156 G HA3 -0.368 3.586 3.960 -0.011 0.000 0.220 156 G C 1.757 176.639 174.900 -0.032 0.000 1.156 156 G CA 1.588 46.677 45.100 -0.018 0.000 0.766 156 G HN 0.483 nan 8.290 nan 0.000 0.583 157 N N 0.376 119.059 118.700 -0.028 0.000 2.104 157 N HA -0.066 4.668 4.740 -0.011 0.000 0.190 157 N C 2.101 177.544 175.510 -0.112 0.000 1.024 157 N CA 0.927 53.973 53.050 -0.006 0.000 0.853 157 N CB -0.187 38.328 38.487 0.046 0.000 1.008 157 N HN 0.216 nan 8.380 nan 0.000 0.424 158 I N 0.508 121.001 120.570 -0.127 0.000 2.335 158 I HA -0.155 4.009 4.170 -0.011 0.000 0.251 158 I C 2.210 178.200 176.117 -0.212 0.000 1.129 158 I CA 1.155 62.340 61.300 -0.190 0.000 1.402 158 I CB -1.589 36.320 38.000 -0.152 0.000 1.069 158 I HN 0.182 nan 8.210 nan 0.000 0.424 159 G N 0.770 109.485 108.800 -0.142 0.000 2.524 159 G HA2 -0.313 3.640 3.960 -0.011 0.000 0.215 159 G HA3 -0.313 3.640 3.960 -0.011 0.000 0.215 159 G C 1.775 176.583 174.900 -0.153 0.000 1.239 159 G CA 1.020 46.053 45.100 -0.112 0.000 0.798 159 G HN 0.205 nan 8.290 nan 0.000 0.557 160 R N 0.143 120.565 120.500 -0.129 0.000 2.133 160 R HA -0.176 4.157 4.340 -0.011 0.000 0.245 160 R C 2.576 178.662 176.300 -0.356 0.000 1.137 160 R CA 2.433 58.461 56.100 -0.119 0.000 0.947 160 R CB -0.796 29.513 30.300 0.014 0.000 0.865 160 R HN 0.420 nan 8.270 nan 0.000 0.437 161 M N -0.061 119.064 119.600 -0.792 0.000 2.103 161 M HA -0.240 4.234 4.480 -0.011 0.000 0.255 161 M C 2.005 177.845 176.300 -0.767 0.000 1.074 161 M CA 2.714 57.146 55.300 -1.447 0.000 1.090 161 M CB -0.258 31.469 32.600 -1.455 0.000 1.325 161 M HN 0.253 nan 8.290 nan 0.000 0.403 162 V N -1.146 118.484 119.914 -0.473 0.000 2.453 162 V HA -0.151 3.963 4.120 -0.011 0.000 0.247 162 V C 2.131 178.106 176.094 -0.199 0.000 1.048 162 V CA 1.478 63.568 62.300 -0.350 0.000 1.049 162 V CB -1.125 30.612 31.823 -0.143 0.000 0.672 162 V HN 0.610 nan 8.190 nan 0.000 0.457 163 L N 1.212 122.370 121.223 -0.109 0.000 2.191 163 L HA -0.067 4.267 4.340 -0.011 0.000 0.212 163 L C 1.810 178.681 176.870 0.001 0.000 1.103 163 L CA 2.286 57.125 54.840 -0.001 0.000 0.769 163 L CB -0.870 41.196 42.059 0.012 0.000 0.908 163 L HN 0.331 nan 8.230 nan 0.000 0.438 164 D N -1.007 119.358 120.400 -0.059 0.000 2.301 164 D HA 0.073 4.707 4.640 -0.011 0.000 0.206 164 D C 2.232 178.500 176.300 -0.053 0.000 0.979 164 D CA 0.818 54.830 54.000 0.021 0.000 0.874 164 D CB 0.189 41.101 40.800 0.187 0.000 0.968 164 D HN 0.388 nan 8.370 nan 0.000 0.510 165 I N -0.315 120.105 120.570 -0.250 0.000 2.876 165 I HA -0.113 4.051 4.170 -0.011 0.000 0.264 165 I C 0.648 176.534 176.117 -0.386 0.000 1.204 165 I CA 0.631 61.698 61.300 -0.390 0.000 1.485 165 I CB 0.183 37.781 38.000 -0.670 0.000 1.103 165 I HN -0.114 nan 8.210 nan 0.000 0.446 166 F N 1.019 120.976 119.950 0.010 0.000 2.654 166 F HA 0.260 4.780 4.527 -0.011 0.000 0.303 166 F C 1.125 176.939 175.800 0.024 0.000 1.099 166 F CA -0.690 57.323 58.000 0.021 0.000 1.270 166 F CB -0.127 38.891 39.000 0.029 0.000 1.024 166 F HN -0.068 nan 8.300 nan 0.000 0.548 167 R N -0.873 119.709 120.500 0.136 0.000 3.988 167 R HA -0.270 4.063 4.340 -0.011 0.000 0.354 167 R C 0.152 176.510 176.300 0.097 0.000 1.236 167 R CA 0.953 57.111 56.100 0.097 0.000 1.253 167 R CB -2.950 27.398 30.300 0.080 0.000 1.716 167 R HN 0.359 nan 8.270 nan 0.000 0.579 168 L N 1.431 122.729 121.223 0.125 0.000 2.720 168 L HA 0.071 4.404 4.340 -0.011 0.000 0.289 168 L C 0.826 177.735 176.870 0.064 0.000 1.232 168 L CA 0.968 55.862 54.840 0.090 0.000 0.915 168 L CB -0.209 41.911 42.059 0.101 0.000 1.184 168 L HN 0.156 nan 8.230 nan 0.000 0.491 169 K N 2.174 122.600 120.400 0.044 0.000 2.258 169 K HA 0.865 5.179 4.320 -0.011 0.000 0.236 169 K C -0.119 176.487 176.600 0.011 0.000 1.008 169 K CA -0.349 55.955 56.287 0.029 0.000 0.869 169 K CB 1.766 34.282 32.500 0.027 0.000 1.171 169 K HN 1.124 nan 8.250 nan 0.000 0.447 170 G N 2.367 111.163 108.800 -0.007 0.000 3.326 170 G HA2 -0.091 3.862 3.960 -0.011 0.000 0.681 170 G HA3 -0.091 3.862 3.960 -0.011 0.000 0.681 170 G C -0.404 174.446 174.900 -0.082 0.000 1.255 170 G CA -0.387 44.693 45.100 -0.033 0.000 0.976 170 G HN 0.736 nan 8.290 nan 0.000 0.563 171 D N 0.245 120.563 120.400 -0.137 0.000 2.254 171 D HA -0.131 4.503 4.640 -0.011 0.000 0.201 171 D C 1.907 177.986 176.300 -0.367 0.000 0.998 171 D CA 1.814 55.622 54.000 -0.320 0.000 0.885 171 D CB 0.309 40.918 40.800 -0.318 0.000 0.915 171 D HN 0.692 nan 8.370 nan 0.000 0.460 172 E N -0.443 119.655 120.200 -0.171 0.000 2.033 172 E HA -0.026 4.318 4.350 -0.011 0.000 0.189 172 E C 1.940 178.513 176.600 -0.045 0.000 0.979 172 E CA 0.761 57.101 56.400 -0.100 0.000 0.802 172 E CB -0.017 29.652 29.700 -0.050 0.000 0.763 172 E HN 0.235 nan 8.360 nan 0.000 0.449 173 A N 0.855 123.659 122.820 -0.026 0.000 2.216 173 A HA -0.103 4.211 4.320 -0.011 0.000 0.214 173 A C 1.935 179.534 177.584 0.024 0.000 1.160 173 A CA 0.777 52.820 52.037 0.010 0.000 0.725 173 A CB -0.277 18.736 19.000 0.023 0.000 0.784 173 A HN 0.091 nan 8.150 nan 0.000 0.472 174 R N -1.353 119.150 120.500 0.005 0.000 2.064 174 R HA 0.023 4.356 4.340 -0.011 0.000 0.221 174 R C 1.899 178.292 176.300 0.156 0.000 1.136 174 R CA 1.008 57.145 56.100 0.062 0.000 0.980 174 R CB -0.319 30.006 30.300 0.042 0.000 0.876 174 R HN 0.741 nan 8.270 nan 0.000 0.437 175 H N -1.047 118.022 119.070 -0.002 0.000 2.389 175 H HA -0.055 4.495 4.556 -0.011 0.000 0.299 175 H C 1.789 177.105 175.328 -0.021 0.000 1.081 175 H CA 1.362 57.400 56.048 -0.017 0.000 1.345 175 H CB 0.234 29.975 29.762 -0.035 0.000 1.393 175 H HN 0.211 nan 8.280 nan 0.000 0.520 176 T N 1.190 115.812 114.554 0.113 0.000 2.612 176 T HA -0.102 4.241 4.350 -0.011 0.000 0.259 176 T C 2.135 176.858 174.700 0.039 0.000 1.065 176 T CA 0.763 62.895 62.100 0.054 0.000 1.167 176 T CB -0.329 68.560 68.868 0.034 0.000 0.863 176 T HN 0.185 nan 8.240 nan 0.000 0.407 177 L N 0.683 121.928 121.223 0.036 0.000 2.351 177 L HA -0.118 4.216 4.340 -0.011 0.000 0.220 177 L C 2.310 179.185 176.870 0.009 0.000 1.127 177 L CA 0.755 55.605 54.840 0.018 0.000 0.786 177 L CB -0.550 41.520 42.059 0.018 0.000 0.914 177 L HN 0.253 nan 8.230 nan 0.000 0.443 178 L N -0.063 121.176 121.223 0.026 0.000 2.062 178 L HA 0.023 4.357 4.340 -0.011 0.000 0.202 178 L C 2.700 179.572 176.870 0.003 0.000 1.079 178 L CA 1.817 56.666 54.840 0.015 0.000 0.755 178 L CB -0.672 41.405 42.059 0.030 0.000 0.913 178 L HN 0.075 nan 8.230 nan 0.000 0.445 179 A N -0.971 121.849 122.820 -0.001 0.000 1.971 179 A HA -0.329 3.985 4.320 -0.011 0.000 0.222 179 A C 2.345 179.929 177.584 0.000 0.000 1.182 179 A CA 2.958 54.985 52.037 -0.017 0.000 0.649 179 A CB -1.525 17.457 19.000 -0.031 0.000 0.818 179 A HN 0.683 nan 8.150 nan 0.000 0.458 180 T N -3.134 111.423 114.554 0.006 0.000 2.735 180 T HA 0.112 4.455 4.350 -0.011 0.000 0.256 180 T C 2.056 176.755 174.700 -0.003 0.000 1.042 180 T CA 1.651 63.755 62.100 0.006 0.000 1.147 180 T CB -1.297 67.574 68.868 0.005 0.000 0.865 180 T HN 0.602 nan 8.240 nan 0.000 0.421 181 G N 1.693 110.484 108.800 -0.015 0.000 2.596 181 G HA2 -0.166 3.788 3.960 -0.011 0.000 0.223 181 G HA3 -0.166 3.788 3.960 -0.011 0.000 0.223 181 G C 1.829 176.719 174.900 -0.016 0.000 1.120 181 G CA 1.572 46.654 45.100 -0.030 0.000 0.752 181 G HN 0.877 nan 8.290 nan 0.000 0.596 182 A N 1.103 123.928 122.820 0.008 0.000 1.826 182 A HA 0.363 4.677 4.320 -0.011 0.000 0.214 182 A C 2.914 180.537 177.584 0.065 0.000 1.212 182 A CA 2.480 54.544 52.037 0.046 0.000 0.605 182 A CB -1.167 17.877 19.000 0.072 0.000 0.861 182 A HN 1.041 nan 8.150 nan 0.000 0.447 183 A N -0.118 122.748 122.820 0.076 0.000 1.917 183 A HA 0.038 4.351 4.320 -0.011 0.000 0.219 183 A C 2.480 180.072 177.584 0.012 0.000 1.182 183 A CA 2.540 54.623 52.037 0.076 0.000 0.633 183 A CB -1.146 17.882 19.000 0.047 0.000 0.819 183 A HN 1.238 nan 8.150 nan 0.000 0.448 184 A N -0.709 122.108 122.820 -0.006 0.000 1.978 184 A HA 0.103 4.416 4.320 -0.011 0.000 0.220 184 A C 2.327 179.892 177.584 -0.032 0.000 1.170 184 A CA 2.021 54.043 52.037 -0.025 0.000 0.636 184 A CB -1.245 17.738 19.000 -0.029 0.000 0.810 184 A HN 0.718 nan 8.150 nan 0.000 0.448 185 G N -0.287 108.496 108.800 -0.028 0.000 2.454 185 G HA2 -0.082 3.872 3.960 -0.011 0.000 0.214 185 G HA3 -0.082 3.872 3.960 -0.011 0.000 0.214 185 G C 1.362 176.234 174.900 -0.047 0.000 1.217 185 G CA 0.892 45.966 45.100 -0.042 0.000 0.799 185 G HN 0.516 nan 8.290 nan 0.000 0.538 186 L N 1.421 122.612 121.223 -0.054 0.000 2.456 186 L HA 0.032 4.366 4.340 -0.011 0.000 0.225 186 L C 2.698 179.554 176.870 -0.023 0.000 1.142 186 L CA 1.693 56.484 54.840 -0.083 0.000 0.796 186 L CB -0.326 41.587 42.059 -0.244 0.000 0.920 186 L HN 0.271 nan 8.230 nan 0.000 0.446 187 A N -1.162 121.630 122.820 -0.047 0.000 1.881 187 A HA 0.235 4.549 4.320 -0.011 0.000 0.210 187 A C 2.380 179.892 177.584 -0.119 0.000 1.239 187 A CA 0.784 52.781 52.037 -0.066 0.000 0.629 187 A CB -1.059 17.898 19.000 -0.072 0.000 0.906 187 A HN 0.411 nan 8.150 nan 0.000 0.460 188 A N 0.122 122.873 122.820 -0.115 0.000 2.024 188 A HA 0.137 4.450 4.320 -0.011 0.000 0.220 188 A C 2.320 179.701 177.584 -0.338 0.000 1.164 188 A CA 2.121 54.051 52.037 -0.179 0.000 0.643 188 A CB -0.887 18.098 19.000 -0.026 0.000 0.806 188 A HN 0.939 nan 8.150 nan 0.000 0.451 189 A N -0.368 122.333 122.820 -0.199 0.000 1.819 189 A HA 0.128 4.441 4.320 -0.011 0.000 0.215 189 A C 1.345 178.699 177.584 -0.384 0.000 1.226 189 A CA 1.288 53.167 52.037 -0.264 0.000 0.608 189 A CB -0.848 18.021 19.000 -0.218 0.000 0.877 189 A HN 0.485 nan 8.150 nan 0.000 0.452 190 F N 0.455 120.275 119.950 -0.217 0.000 2.697 190 F HA 0.171 4.691 4.527 -0.011 0.000 0.297 190 F C 0.962 176.600 175.800 -0.269 0.000 1.203 190 F CA 0.135 58.032 58.000 -0.172 0.000 1.421 190 F CB -1.494 37.447 39.000 -0.099 0.000 1.033 190 F HN 0.484 nan 8.300 nan 0.000 0.512 191 N N 1.264 119.739 118.700 -0.375 0.000 2.693 191 N HA -0.268 4.466 4.740 -0.011 0.000 0.250 191 N C -0.492 174.952 175.510 -0.110 0.000 1.033 191 N CA 0.744 53.562 53.050 -0.386 0.000 0.747 191 N CB -0.627 37.694 38.487 -0.276 0.000 0.964 191 N HN 0.353 nan 8.380 nan 0.000 0.540 192 A N -0.121 122.659 122.820 -0.066 0.000 2.709 192 A HA 0.466 4.779 4.320 -0.011 0.000 0.332 192 A C -1.072 176.462 177.584 -0.083 0.000 1.241 192 A CA -0.929 51.077 52.037 -0.053 0.000 0.782 192 A CB 1.127 20.100 19.000 -0.045 0.000 1.109 192 A HN 0.275 nan 8.150 nan 0.000 0.472 193 P HA -0.208 nan 4.420 nan 0.000 0.214 193 P C 1.623 178.827 177.300 -0.159 0.000 1.163 193 P CA 0.927 63.953 63.100 -0.124 0.000 0.883 193 P CB 0.184 31.812 31.700 -0.120 0.000 0.788 194 L N -0.106 121.031 121.223 -0.143 0.000 1.933 194 L HA -0.234 4.099 4.340 -0.011 0.000 0.220 194 L C 2.927 179.731 176.870 -0.109 0.000 1.078 194 L CA 2.166 56.922 54.840 -0.140 0.000 0.773 194 L CB -1.659 40.343 42.059 -0.096 0.000 0.890 194 L HN -0.028 nan 8.230 nan 0.000 0.434 195 A N 0.358 123.121 122.820 -0.095 0.000 1.915 195 A HA -0.278 4.036 4.320 -0.011 0.000 0.220 195 A C 2.349 179.896 177.584 -0.062 0.000 1.198 195 A CA 2.362 54.346 52.037 -0.089 0.000 0.647 195 A CB -1.640 17.263 19.000 -0.160 0.000 0.825 195 A HN 0.581 nan 8.150 nan 0.000 0.456 196 G N -0.237 108.508 108.800 -0.092 0.000 2.513 196 G HA2 -0.296 3.658 3.960 -0.011 0.000 0.219 196 G HA3 -0.296 3.658 3.960 -0.011 0.000 0.219 196 G C 1.528 176.439 174.900 0.018 0.000 1.160 196 G CA 1.352 46.425 45.100 -0.045 0.000 0.767 196 G HN 0.541 nan 8.290 nan 0.000 0.571 197 I N 0.155 120.687 120.570 -0.064 0.000 2.072 197 I HA -0.102 4.062 4.170 -0.011 0.000 0.235 197 I C 2.564 178.689 176.117 0.012 0.000 1.058 197 I CA 0.506 61.768 61.300 -0.063 0.000 1.320 197 I CB -0.393 37.488 38.000 -0.199 0.000 1.047 197 I HN 0.026 nan 8.210 nan 0.000 0.397 198 L N 0.300 121.528 121.223 0.008 0.000 2.369 198 L HA -0.273 4.061 4.340 -0.011 0.000 0.220 198 L C 2.398 179.321 176.870 0.088 0.000 1.119 198 L CA 1.915 56.776 54.840 0.035 0.000 0.780 198 L CB -1.064 41.007 42.059 0.020 0.000 0.906 198 L HN 0.313 nan 8.230 nan 0.000 0.442 199 F N 0.700 120.616 119.950 -0.056 0.000 2.094 199 F HA -0.134 4.387 4.527 -0.010 0.000 0.291 199 F C 2.219 178.001 175.800 -0.031 0.000 1.109 199 F CA 0.949 58.924 58.000 -0.042 0.000 1.221 199 F CB -0.464 38.497 39.000 -0.065 0.000 1.014 199 F HN -0.093 nan 8.300 nan 0.000 0.473 200 I N 1.235 121.683 120.570 -0.203 0.000 2.908 200 I HA -0.209 3.955 4.170 -0.011 0.000 0.271 200 I C 1.869 177.850 176.117 -0.227 0.000 1.275 200 I CA 1.241 62.352 61.300 -0.315 0.000 1.446 200 I CB -0.906 37.027 38.000 -0.112 0.000 1.092 200 I HN 0.473 nan 8.210 nan 0.000 0.482 201 I N -3.782 116.700 120.570 -0.147 0.000 4.050 201 I HA 0.269 4.432 4.170 -0.011 0.000 0.327 201 I C 1.291 177.350 176.117 -0.096 0.000 1.473 201 I CA 0.188 61.427 61.300 -0.101 0.000 1.124 201 I CB 0.146 38.125 38.000 -0.035 0.000 1.129 201 I HN 0.092 nan 8.210 nan 0.000 0.428 202 E N 0.700 120.830 120.200 -0.117 0.000 2.467 202 E HA -0.019 4.325 4.350 -0.011 0.000 0.213 202 E C 1.335 177.864 176.600 -0.118 0.000 0.823 202 E CA 0.341 56.693 56.400 -0.081 0.000 1.233 202 E CB 0.756 30.447 29.700 -0.015 0.000 1.233 202 E HN 0.493 nan 8.360 nan 0.000 0.585 203 E N -0.074 119.996 120.200 -0.216 0.000 2.538 203 E HA 0.118 4.462 4.350 -0.011 0.000 0.188 203 E C 1.956 178.356 176.600 -0.334 0.000 1.014 203 E CA 0.526 56.794 56.400 -0.219 0.000 1.140 203 E CB -0.131 29.530 29.700 -0.065 0.000 1.262 203 E HN -0.002 nan 8.360 nan 0.000 0.488 204 M N 1.056 120.258 119.600 -0.663 0.000 2.073 204 M HA -0.122 4.351 4.480 -0.011 0.000 0.258 204 M C 1.197 177.337 176.300 -0.267 0.000 1.070 204 M CA 1.017 56.046 55.300 -0.453 0.000 1.103 204 M CB -0.913 31.364 32.600 -0.538 0.000 1.321 204 M HN 0.078 nan 8.290 nan 0.000 0.405 205 R N 2.774 123.116 120.500 -0.263 0.000 2.584 205 R HA -0.061 4.273 4.340 -0.011 0.000 0.315 205 R C -2.197 174.011 176.300 -0.154 0.000 0.863 205 R CA -0.600 55.386 56.100 -0.190 0.000 1.139 205 R CB -0.247 29.949 30.300 -0.173 0.000 0.880 205 R HN 0.054 nan 8.270 nan 0.000 0.413 206 P HA -0.099 nan 4.420 nan 0.000 0.250 206 P C -0.093 177.159 177.300 -0.080 0.000 1.161 206 P CA 0.452 63.522 63.100 -0.050 0.000 0.863 206 P CB 0.422 32.099 31.700 -0.038 0.000 0.827 207 Q N 2.463 122.145 119.800 -0.197 0.000 2.248 207 Q HA -0.150 4.183 4.340 -0.011 0.000 0.208 207 Q C 0.447 176.033 176.000 -0.689 0.000 0.984 207 Q CA 1.752 57.227 55.803 -0.548 0.000 0.875 207 Q CB -0.358 27.822 28.738 -0.929 0.000 0.910 207 Q HN 0.446 nan 8.270 nan 0.000 0.433 208 F N -0.108 119.846 119.950 0.006 0.000 2.772 208 F HA 0.353 4.873 4.527 -0.011 0.000 0.302 208 F C -0.107 175.714 175.800 0.035 0.000 1.136 208 F CA -0.574 57.438 58.000 0.020 0.000 1.322 208 F CB 0.286 39.296 39.000 0.017 0.000 0.967 208 F HN -0.110 nan 8.300 nan 0.000 0.513 209 R N -1.827 118.762 120.500 0.147 0.000 2.687 209 R HA 0.314 4.648 4.340 -0.011 0.000 0.265 209 R C -1.643 174.748 176.300 0.151 0.000 1.048 209 R CA -1.000 55.191 56.100 0.151 0.000 0.884 209 R CB 0.709 31.100 30.300 0.152 0.000 1.258 209 R HN -0.046 nan 8.270 nan 0.000 0.469 210 Y N 1.720 122.043 120.300 0.038 0.000 2.578 210 Y HA 0.307 4.851 4.550 -0.011 0.000 0.339 210 Y C -0.778 175.150 175.900 0.047 0.000 1.231 210 Y CA 1.133 59.250 58.100 0.029 0.000 1.461 210 Y CB 1.034 39.510 38.460 0.027 0.000 1.323 210 Y HN 0.740 nan 8.280 nan 0.000 0.590 211 T N 6.303 120.556 114.554 -0.500 0.000 2.903 211 T HA 0.353 4.696 4.350 -0.011 0.000 0.299 211 T C -0.596 173.762 174.700 -0.570 0.000 1.093 211 T CA -0.837 61.049 62.100 -0.357 0.000 1.002 211 T CB 1.298 70.086 68.868 -0.133 0.000 1.127 211 T HN 0.428 nan 8.240 nan 0.000 0.488 212 L N 1.636 122.709 121.223 -0.250 0.000 2.998 212 L HA 0.392 4.726 4.340 -0.011 0.000 0.234 212 L C -0.152 176.669 176.870 -0.082 0.000 1.350 212 L CA 0.306 55.028 54.840 -0.198 0.000 1.202 212 L CB -1.160 40.825 42.059 -0.123 0.000 1.583 212 L HN 0.495 nan 8.230 nan 0.000 0.456 213 I N -0.602 119.912 120.570 -0.092 0.000 2.325 213 I HA 0.135 4.299 4.170 -0.011 0.000 0.291 213 I C 0.780 176.877 176.117 -0.034 0.000 1.019 213 I CA -0.147 61.135 61.300 -0.031 0.000 1.302 213 I CB 1.316 39.291 38.000 -0.041 0.000 1.401 213 I HN 0.121 nan 8.210 nan 0.000 0.485 214 S N 7.233 122.929 115.700 -0.007 0.000 3.036 214 S HA 0.172 4.636 4.470 -0.011 0.000 0.301 214 S C 1.659 176.272 174.600 0.022 0.000 1.205 214 S CA -0.658 57.543 58.200 0.001 0.000 0.999 214 S CB -0.195 63.009 63.200 0.006 0.000 1.337 214 S HN 0.465 nan 8.310 nan 0.000 0.515 215 I N 4.190 124.775 120.570 0.025 0.000 2.181 215 I HA -0.320 3.843 4.170 -0.011 0.000 0.240 215 I C 2.482 178.662 176.117 0.105 0.000 1.006 215 I CA 1.953 63.297 61.300 0.074 0.000 1.284 215 I CB -1.152 36.876 38.000 0.047 0.000 0.990 215 I HN 0.674 nan 8.210 nan 0.000 0.408 216 K N 0.776 121.170 120.400 -0.009 0.000 2.286 216 K HA -0.174 4.140 4.320 -0.011 0.000 0.203 216 K C 1.987 178.621 176.600 0.057 0.000 1.045 216 K CA 1.561 57.817 56.287 -0.051 0.000 0.935 216 K CB 0.012 32.456 32.500 -0.093 0.000 0.737 216 K HN 0.377 nan 8.250 nan 0.000 0.460 217 A N 0.275 123.133 122.820 0.064 0.000 1.943 217 A HA 0.022 4.336 4.320 -0.011 0.000 0.213 217 A C 2.105 179.742 177.584 0.088 0.000 1.181 217 A CA 0.713 52.787 52.037 0.061 0.000 0.653 217 A CB -0.201 18.821 19.000 0.037 0.000 0.833 217 A HN 0.126 nan 8.150 nan 0.000 0.451 218 V N -0.809 119.172 119.914 0.112 0.000 2.233 218 V HA -0.271 3.842 4.120 -0.011 0.000 0.247 218 V C 2.229 178.402 176.094 0.132 0.000 1.050 218 V CA 2.254 64.615 62.300 0.100 0.000 1.010 218 V CB -1.136 30.750 31.823 0.105 0.000 0.637 218 V HN 0.516 nan 8.190 nan 0.000 0.444 219 F N -0.001 119.944 119.950 -0.008 0.000 2.063 219 F HA -0.292 4.229 4.527 -0.010 0.000 0.297 219 F C 2.242 178.037 175.800 -0.008 0.000 1.099 219 F CA 2.242 60.238 58.000 -0.006 0.000 1.220 219 F CB -0.572 38.425 39.000 -0.005 0.000 0.972 219 F HN 0.052 nan 8.300 nan 0.000 0.487 220 I N -0.885 119.804 120.570 0.198 0.000 2.286 220 I HA -0.250 3.914 4.170 -0.011 0.000 0.248 220 I C 2.686 178.823 176.117 0.034 0.000 1.115 220 I CA 1.354 62.711 61.300 0.094 0.000 1.392 220 I CB -1.206 36.829 38.000 0.059 0.000 1.065 220 I HN 0.234 nan 8.210 nan 0.000 0.418 221 G N 0.713 109.527 108.800 0.023 0.000 2.453 221 G HA2 -0.191 3.762 3.960 -0.011 0.000 0.215 221 G HA3 -0.191 3.762 3.960 -0.011 0.000 0.215 221 G C 1.687 176.578 174.900 -0.015 0.000 1.201 221 G CA 0.963 46.058 45.100 -0.008 0.000 0.784 221 G HN 0.200 nan 8.290 nan 0.000 0.545 222 V N 1.411 121.309 119.914 -0.026 0.000 2.222 222 V HA -0.296 3.818 4.120 -0.011 0.000 0.252 222 V C 2.738 178.806 176.094 -0.044 0.000 1.060 222 V CA 2.064 64.329 62.300 -0.058 0.000 1.027 222 V CB -0.683 31.061 31.823 -0.132 0.000 0.644 222 V HN 0.413 nan 8.190 nan 0.000 0.448 223 I N -1.089 119.459 120.570 -0.037 0.000 2.064 223 I HA -0.389 3.774 4.170 -0.011 0.000 0.234 223 I C 2.691 178.815 176.117 0.012 0.000 1.019 223 I CA 2.113 63.408 61.300 -0.007 0.000 1.301 223 I CB -0.466 37.549 38.000 0.025 0.000 1.017 223 I HN 0.291 nan 8.210 nan 0.000 0.392 224 M N 0.627 120.235 119.600 0.012 0.000 2.190 224 M HA -0.316 4.157 4.480 -0.011 0.000 0.252 224 M C 2.643 178.960 176.300 0.027 0.000 1.076 224 M CA 2.672 57.980 55.300 0.013 0.000 1.079 224 M CB -1.872 30.721 32.600 -0.010 0.000 1.303 224 M HN 0.560 nan 8.290 nan 0.000 0.412 225 S N -1.223 114.486 115.700 0.016 0.000 2.368 225 S HA -0.135 4.329 4.470 -0.011 0.000 0.225 225 S C 1.943 176.591 174.600 0.080 0.000 1.030 225 S CA 1.990 60.209 58.200 0.032 0.000 0.999 225 S CB -0.820 62.381 63.200 0.003 0.000 0.844 225 S HN 0.510 nan 8.310 nan 0.000 0.459 226 T N 2.271 116.860 114.554 0.059 0.000 2.737 226 T HA -0.026 4.318 4.350 -0.011 0.000 0.269 226 T C 1.615 176.412 174.700 0.160 0.000 1.040 226 T CA 1.655 63.813 62.100 0.096 0.000 1.142 226 T CB -0.505 68.387 68.868 0.041 0.000 0.861 226 T HN 0.341 nan 8.240 nan 0.000 0.456 227 I N 0.881 121.517 120.570 0.110 0.000 2.142 227 I HA -0.126 4.038 4.170 -0.011 0.000 0.240 227 I C 2.348 178.557 176.117 0.153 0.000 1.078 227 I CA 1.188 62.554 61.300 0.111 0.000 1.343 227 I CB -0.500 37.544 38.000 0.074 0.000 1.046 227 I HN 0.185 nan 8.210 nan 0.000 0.405 228 M N -0.821 118.873 119.600 0.156 0.000 2.073 228 M HA -0.298 4.175 4.480 -0.011 0.000 0.258 228 M C 2.473 178.940 176.300 0.279 0.000 1.070 228 M CA 1.964 57.389 55.300 0.208 0.000 1.103 228 M CB -1.632 31.037 32.600 0.114 0.000 1.321 228 M HN 0.318 nan 8.290 nan 0.000 0.405 229 Y N 1.223 121.588 120.300 0.109 0.000 2.097 229 Y HA -0.230 4.314 4.550 -0.011 0.000 0.282 229 Y C 2.449 178.442 175.900 0.154 0.000 1.152 229 Y CA 1.890 60.053 58.100 0.105 0.000 1.136 229 Y CB -0.329 38.160 38.460 0.048 0.000 0.975 229 Y HN 0.112 nan 8.280 nan 0.000 0.498 230 R N 0.183 120.761 120.500 0.131 0.000 2.159 230 R HA -0.162 4.171 4.340 -0.011 0.000 0.237 230 R C 2.055 178.359 176.300 0.006 0.000 1.131 230 R CA 1.318 57.434 56.100 0.027 0.000 0.982 230 R CB -0.615 29.762 30.300 0.129 0.000 0.868 230 R HN 0.454 nan 8.270 nan 0.000 0.453 231 I N -0.220 120.390 120.570 0.068 0.000 2.315 231 I HA -0.198 3.966 4.170 -0.011 0.000 0.248 231 I C 1.108 177.070 176.117 -0.258 0.000 1.117 231 I CA 1.349 62.605 61.300 -0.073 0.000 1.404 231 I CB -0.576 37.359 38.000 -0.107 0.000 1.071 231 I HN -0.037 nan 8.210 nan 0.000 0.419 232 F N 0.230 120.094 119.950 -0.144 0.000 2.772 232 F HA 0.316 4.836 4.527 -0.011 0.000 0.302 232 F C 1.191 176.750 175.800 -0.402 0.000 1.136 232 F CA -0.160 57.713 58.000 -0.210 0.000 1.322 232 F CB -0.436 38.474 39.000 -0.150 0.000 0.967 232 F HN 0.032 nan 8.300 nan 0.000 0.513 233 N N -0.967 117.484 118.700 -0.414 0.000 1.938 233 N HA -0.035 4.699 4.740 -0.011 0.000 0.225 233 N C 0.212 175.461 175.510 -0.435 0.000 1.400 233 N CA 0.005 52.740 53.050 -0.524 0.000 0.772 233 N CB 0.334 38.277 38.487 -0.906 0.000 1.124 233 N HN 0.390 nan 8.380 nan 0.000 0.513 234 H N 1.057 120.034 119.070 -0.156 0.000 3.031 234 H HA -0.018 4.532 4.556 -0.011 0.000 0.381 234 H C 0.900 176.198 175.328 -0.050 0.000 1.434 234 H CA 1.130 57.128 56.048 -0.084 0.000 1.428 234 H CB 0.200 29.914 29.762 -0.080 0.000 1.395 234 H HN 0.049 nan 8.280 nan 0.000 0.590 235 E N -2.530 117.771 120.200 0.170 0.000 4.537 235 E HA -0.271 4.072 4.350 -0.011 0.000 0.247 235 E C -0.661 175.963 176.600 0.040 0.000 0.792 235 E CA 1.623 58.087 56.400 0.106 0.000 1.356 235 E CB -0.930 28.863 29.700 0.155 0.000 1.709 235 E HN 0.391 nan 8.360 nan 0.000 0.385 236 V N -0.307 119.609 119.914 0.004 0.000 2.604 236 V HA 0.752 4.865 4.120 -0.011 0.000 0.305 236 V C 0.147 176.257 176.094 0.025 0.000 1.043 236 V CA -0.111 62.190 62.300 0.002 0.000 0.888 236 V CB 1.735 33.546 31.823 -0.020 0.000 0.995 236 V HN 0.294 nan 8.190 nan 0.000 0.429 237 A N 3.017 125.850 122.820 0.022 0.000 2.284 237 A HA 0.837 5.151 4.320 -0.011 0.000 0.317 237 A C 0.654 178.225 177.584 -0.021 0.000 1.120 237 A CA -0.659 51.393 52.037 0.025 0.000 0.900 237 A CB 1.040 20.046 19.000 0.009 0.000 1.319 237 A HN 0.818 nan 8.150 nan 0.000 0.494 238 L N -0.622 120.553 121.223 -0.079 0.000 2.162 238 L HA 0.243 4.576 4.340 -0.011 0.000 0.205 238 L C -0.113 176.578 176.870 -0.298 0.000 1.086 238 L CA 1.084 55.788 54.840 -0.228 0.000 0.778 238 L CB -0.197 41.622 42.059 -0.400 0.000 0.928 238 L HN 0.463 nan 8.230 nan 0.000 0.446 239 I N -0.285 120.155 120.570 -0.216 0.000 2.499 239 I HA 0.217 4.381 4.170 -0.011 0.000 0.288 239 I C -1.112 174.962 176.117 -0.071 0.000 1.048 239 I CA -0.353 60.851 61.300 -0.160 0.000 1.062 239 I CB 2.526 40.424 38.000 -0.170 0.000 1.238 239 I HN -0.114 nan 8.210 nan 0.000 0.426 240 D N 6.362 126.738 120.400 -0.040 0.000 2.434 240 D HA 0.247 4.881 4.640 -0.011 0.000 0.275 240 D C 0.298 176.596 176.300 -0.003 0.000 1.172 240 D CA -0.133 53.858 54.000 -0.016 0.000 0.916 240 D CB 1.683 42.477 40.800 -0.010 0.000 1.041 240 D HN 0.225 nan 8.370 nan 0.000 0.501 241 V N 1.600 121.515 119.914 0.002 0.000 3.649 241 V HA 0.266 4.380 4.120 -0.011 0.000 0.275 241 V C 1.329 177.432 176.094 0.015 0.000 1.281 241 V CA 0.591 62.900 62.300 0.014 0.000 1.143 241 V CB -0.487 31.349 31.823 0.022 0.000 0.892 241 V HN 0.741 nan 8.190 nan 0.000 0.441 242 G N 1.211 110.017 108.800 0.011 0.000 2.880 242 G HA2 -0.281 3.673 3.960 -0.011 0.000 0.617 242 G HA3 -0.281 3.673 3.960 -0.011 0.000 0.617 242 G C -0.367 174.542 174.900 0.014 0.000 1.493 242 G CA -0.200 44.907 45.100 0.012 0.000 0.916 242 G HN 0.433 nan 8.290 nan 0.000 0.553 243 K N 0.252 120.660 120.400 0.013 0.000 2.338 243 K HA 0.500 4.814 4.320 -0.011 0.000 0.290 243 K C 1.086 177.694 176.600 0.014 0.000 1.069 243 K CA -0.165 56.130 56.287 0.012 0.000 0.941 243 K CB -0.018 32.489 32.500 0.011 0.000 1.023 243 K HN 0.473 nan 8.250 nan 0.000 0.477 244 L N 2.521 123.752 121.223 0.013 0.000 2.479 244 L HA 0.264 4.598 4.340 -0.011 0.000 0.249 244 L C 0.808 177.685 176.870 0.013 0.000 1.178 244 L CA -0.704 54.149 54.840 0.021 0.000 0.811 244 L CB 0.978 43.054 42.059 0.028 0.000 1.187 244 L HN 0.775 nan 8.230 nan 0.000 0.480 245 S N -0.947 114.769 115.700 0.026 0.000 2.617 245 S HA 0.118 4.581 4.470 -0.011 0.000 0.255 245 S C -0.467 174.127 174.600 -0.010 0.000 1.318 245 S CA -0.923 57.288 58.200 0.018 0.000 0.978 245 S CB 0.549 63.776 63.200 0.045 0.000 0.961 245 S HN 0.483 nan 8.310 nan 0.000 0.582 246 D N 0.196 120.581 120.400 -0.025 0.000 2.506 246 D HA 0.581 5.215 4.640 -0.011 0.000 0.272 246 D C -0.546 175.714 176.300 -0.066 0.000 1.214 246 D CA -0.554 53.404 54.000 -0.070 0.000 1.067 246 D CB 0.741 41.494 40.800 -0.079 0.000 1.117 246 D HN 0.760 nan 8.370 nan 0.000 0.578 247 A N 1.134 123.880 122.820 -0.124 0.000 2.363 247 A HA 0.476 4.790 4.320 -0.011 0.000 0.296 247 A C -2.430 175.080 177.584 -0.123 0.000 1.237 247 A CA -1.200 50.765 52.037 -0.120 0.000 0.773 247 A CB 0.601 19.449 19.000 -0.254 0.000 1.153 247 A HN 0.297 nan 8.150 nan 0.000 0.473 248 P HA 0.073 nan 4.420 nan 0.000 0.268 248 P C 1.200 178.442 177.300 -0.097 0.000 1.205 248 P CA -0.270 62.783 63.100 -0.079 0.000 0.771 248 P CB 0.791 32.457 31.700 -0.056 0.000 0.858 249 L N 1.815 122.991 121.223 -0.078 0.000 2.054 249 L HA -0.298 4.036 4.340 -0.011 0.000 0.220 249 L C 2.289 179.133 176.870 -0.044 0.000 1.081 249 L CA 2.561 57.365 54.840 -0.059 0.000 0.780 249 L CB -1.199 40.838 42.059 -0.037 0.000 0.893 249 L HN 0.562 nan 8.230 nan 0.000 0.438 250 N N -0.110 118.545 118.700 -0.074 0.000 2.443 250 N HA -0.163 4.570 4.740 -0.011 0.000 0.184 250 N C 1.386 176.788 175.510 -0.180 0.000 1.037 250 N CA 1.654 54.660 53.050 -0.074 0.000 0.896 250 N CB -0.875 37.557 38.487 -0.091 0.000 0.959 250 N HN 0.487 nan 8.380 nan 0.000 0.442 251 T N -2.577 111.790 114.554 -0.312 0.000 3.206 251 T HA 0.304 4.647 4.350 -0.011 0.000 0.253 251 T C 1.592 176.244 174.700 -0.080 0.000 1.042 251 T CA -0.454 61.412 62.100 -0.389 0.000 0.931 251 T CB -0.376 68.297 68.868 -0.324 0.000 1.029 251 T HN 0.058 nan 8.240 nan 0.000 0.564 252 L N 0.396 121.640 121.223 0.034 0.000 1.988 252 L HA 0.055 4.388 4.340 -0.011 0.000 0.207 252 L C 3.003 179.983 176.870 0.184 0.000 1.071 252 L CA 1.658 56.557 54.840 0.099 0.000 0.744 252 L CB -0.682 41.401 42.059 0.041 0.000 0.893 252 L HN 0.577 nan 8.230 nan 0.000 0.433 253 W N 0.739 122.084 121.300 0.076 0.000 2.292 253 W HA -0.286 4.368 4.660 -0.010 0.000 0.304 253 W C 1.769 178.378 176.519 0.149 0.000 1.228 253 W CA 0.986 58.388 57.345 0.095 0.000 1.241 253 W CB -1.506 27.998 29.460 0.073 0.000 1.142 253 W HN 0.186 nan 8.180 nan 0.000 0.520 254 L N -0.081 120.715 121.223 -0.711 0.000 2.187 254 L HA -0.263 4.070 4.340 -0.011 0.000 0.213 254 L C 2.495 179.265 176.870 -0.168 0.000 1.100 254 L CA 1.771 56.251 54.840 -0.601 0.000 0.765 254 L CB -0.917 40.776 42.059 -0.611 0.000 0.904 254 L HN -0.055 nan 8.230 nan 0.000 0.437 255 Y N -1.500 118.730 120.300 -0.117 0.000 2.544 255 Y HA -0.101 4.443 4.550 -0.010 0.000 0.286 255 Y C 1.969 177.789 175.900 -0.132 0.000 1.141 255 Y CA 0.172 58.171 58.100 -0.168 0.000 1.299 255 Y CB -0.057 38.244 38.460 -0.264 0.000 1.030 255 Y HN 0.084 nan 8.280 nan 0.000 0.543 256 L N -0.542 120.747 121.223 0.109 0.000 2.162 256 L HA -0.058 4.275 4.340 -0.011 0.000 0.205 256 L C 1.897 178.821 176.870 0.090 0.000 1.086 256 L CA 1.315 56.216 54.840 0.101 0.000 0.778 256 L CB -0.513 41.641 42.059 0.159 0.000 0.928 256 L HN 0.055 nan 8.230 nan 0.000 0.446 257 I N -0.312 120.329 120.570 0.118 0.000 2.142 257 I HA -0.273 3.890 4.170 -0.011 0.000 0.240 257 I C 2.526 178.634 176.117 -0.015 0.000 1.078 257 I CA 1.461 62.855 61.300 0.155 0.000 1.343 257 I CB -1.224 36.968 38.000 0.320 0.000 1.046 257 I HN 0.338 nan 8.210 nan 0.000 0.405 258 L N 1.183 122.172 121.223 -0.389 0.000 2.189 258 L HA -0.125 4.208 4.340 -0.011 0.000 0.214 258 L C 2.260 179.080 176.870 -0.083 0.000 1.097 258 L CA 2.018 56.489 54.840 -0.615 0.000 0.764 258 L CB -0.782 40.717 42.059 -0.933 0.000 0.900 258 L HN 0.215 nan 8.230 nan 0.000 0.436 259 G N -0.219 108.557 108.800 -0.040 0.000 2.424 259 G HA2 -0.200 3.753 3.960 -0.011 0.000 0.214 259 G HA3 -0.200 3.753 3.960 -0.011 0.000 0.214 259 G C 1.533 176.498 174.900 0.109 0.000 1.202 259 G CA 0.892 46.009 45.100 0.028 0.000 0.793 259 G HN 0.450 nan 8.290 nan 0.000 0.534 260 I N 0.821 121.447 120.570 0.094 0.000 2.236 260 I HA -0.252 3.911 4.170 -0.011 0.000 0.249 260 I C 2.642 178.837 176.117 0.130 0.000 1.102 260 I CA 0.967 62.334 61.300 0.113 0.000 1.365 260 I CB -0.257 37.819 38.000 0.127 0.000 1.051 260 I HN 0.171 nan 8.210 nan 0.000 0.420 261 I N -0.262 120.387 120.570 0.131 0.000 2.252 261 I HA -0.275 3.889 4.170 -0.011 0.000 0.245 261 I C 2.294 178.465 176.117 0.090 0.000 1.102 261 I CA 1.585 62.943 61.300 0.097 0.000 1.385 261 I CB -0.284 37.752 38.000 0.060 0.000 1.064 261 I HN 0.076 nan 8.210 nan 0.000 0.414 262 F N 0.846 120.803 119.950 0.012 0.000 2.325 262 F HA -0.039 4.481 4.527 -0.011 0.000 0.299 262 F C 2.450 178.302 175.800 0.087 0.000 1.090 262 F CA 1.219 59.252 58.000 0.055 0.000 1.392 262 F CB -0.881 38.111 39.000 -0.013 0.000 1.053 262 F HN 0.003 nan 8.300 nan 0.000 0.521 263 G N 0.703 109.634 108.800 0.219 0.000 2.422 263 G HA2 -0.222 3.732 3.960 -0.011 0.000 0.218 263 G HA3 -0.222 3.732 3.960 -0.011 0.000 0.218 263 G C 1.706 176.665 174.900 0.099 0.000 1.146 263 G CA 1.088 46.262 45.100 0.123 0.000 0.769 263 G HN 0.522 nan 8.290 nan 0.000 0.547 264 I N -3.101 117.539 120.570 0.116 0.000 2.584 264 I HA 0.271 4.435 4.170 -0.011 0.000 0.255 264 I C 2.355 178.518 176.117 0.077 0.000 1.145 264 I CA 0.678 62.033 61.300 0.092 0.000 1.462 264 I CB -0.181 37.882 38.000 0.105 0.000 1.102 264 I HN 0.061 nan 8.210 nan 0.000 0.433 265 F N 2.580 122.505 119.950 -0.042 0.000 2.512 265 F HA 0.308 4.829 4.527 -0.009 0.000 0.296 265 F C 2.219 177.973 175.800 -0.077 0.000 1.110 265 F CA 0.838 58.781 58.000 -0.095 0.000 1.446 265 F CB -0.279 38.631 39.000 -0.150 0.000 1.092 265 F HN 0.064 nan 8.300 nan 0.000 0.554 266 G N 2.001 110.839 108.800 0.064 0.000 2.514 266 G HA2 -0.264 3.689 3.960 -0.011 0.000 0.217 266 G HA3 -0.264 3.689 3.960 -0.011 0.000 0.217 266 G C -0.565 174.266 174.900 -0.116 0.000 1.198 266 G CA 1.088 46.202 45.100 0.023 0.000 0.780 266 G HN 0.337 nan 8.290 nan 0.000 0.565 267 P HA -0.002 nan 4.420 nan 0.000 0.217 267 P C 2.091 179.236 177.300 -0.258 0.000 1.151 267 P CA 0.761 63.782 63.100 -0.131 0.000 0.828 267 P CB -0.030 31.628 31.700 -0.071 0.000 0.788 268 I N -0.827 119.501 120.570 -0.402 0.000 2.118 268 I HA -0.263 3.900 4.170 -0.011 0.000 0.241 268 I C 2.469 177.986 176.117 -1.001 0.000 1.070 268 I CA 1.646 62.557 61.300 -0.648 0.000 1.327 268 I CB -0.831 36.710 38.000 -0.766 0.000 1.034 268 I HN -0.162 nan 8.210 nan 0.000 0.405 269 F N 1.866 121.081 119.950 -1.225 0.000 2.373 269 F HA -0.204 4.317 4.527 -0.011 0.000 0.300 269 F C 1.955 177.482 175.800 -0.455 0.000 1.080 269 F CA 1.553 58.964 58.000 -0.981 0.000 1.417 269 F CB -0.530 37.984 39.000 -0.810 0.000 1.070 269 F HN 0.133 nan 8.300 nan 0.000 0.546 270 N N -0.326 118.170 118.700 -0.339 0.000 2.197 270 N HA -0.118 4.616 4.740 -0.011 0.000 0.184 270 N C 1.728 177.146 175.510 -0.153 0.000 1.030 270 N CA 0.660 53.600 53.050 -0.184 0.000 0.851 270 N CB -0.014 38.421 38.487 -0.087 0.000 1.003 270 N HN 0.202 nan 8.380 nan 0.000 0.430 271 K N 0.627 120.944 120.400 -0.139 0.000 2.015 271 K HA -0.195 4.118 4.320 -0.011 0.000 0.216 271 K C 1.823 178.487 176.600 0.106 0.000 1.052 271 K CA 1.666 57.957 56.287 0.008 0.000 0.937 271 K CB -0.193 32.351 32.500 0.074 0.000 0.719 271 K HN 0.231 nan 8.250 nan 0.000 0.446 272 W N 0.393 121.567 121.300 -0.210 0.000 2.298 272 W HA -0.243 4.410 4.660 -0.012 0.000 0.328 272 W C 2.251 178.629 176.519 -0.235 0.000 1.259 272 W CA 0.808 58.013 57.345 -0.234 0.000 1.251 272 W CB -1.550 27.716 29.460 -0.322 0.000 1.161 272 W HN 0.020 nan 8.180 nan 0.000 0.466 273 V N 0.515 120.347 119.914 -0.137 0.000 2.317 273 V HA -0.315 3.799 4.120 -0.011 0.000 0.251 273 V C 2.128 178.266 176.094 0.074 0.000 1.065 273 V CA 2.137 64.393 62.300 -0.074 0.000 1.049 273 V CB -0.883 30.844 31.823 -0.160 0.000 0.651 273 V HN 0.078 nan 8.190 nan 0.000 0.450 274 L N 0.928 122.179 121.223 0.046 0.000 1.925 274 L HA 0.151 4.485 4.340 -0.011 0.000 0.214 274 L C 2.726 179.628 176.870 0.053 0.000 1.091 274 L CA 2.555 57.432 54.840 0.062 0.000 0.768 274 L CB -1.833 40.251 42.059 0.041 0.000 0.887 274 L HN 0.381 nan 8.230 nan 0.000 0.433 275 G N -0.788 108.041 108.800 0.048 0.000 2.649 275 G HA2 -0.449 3.504 3.960 -0.011 0.000 0.220 275 G HA3 -0.449 3.504 3.960 -0.011 0.000 0.220 275 G C 1.607 176.518 174.900 0.018 0.000 1.189 275 G CA 1.590 46.707 45.100 0.030 0.000 0.777 275 G HN 0.382 nan 8.290 nan 0.000 0.602 276 M N 1.730 121.343 119.600 0.021 0.000 2.255 276 M HA -0.191 4.283 4.480 -0.011 0.000 0.259 276 M C 2.660 178.985 176.300 0.042 0.000 1.071 276 M CA 2.367 57.676 55.300 0.015 0.000 1.074 276 M CB -0.520 32.094 32.600 0.025 0.000 1.384 276 M HN 0.666 nan 8.290 nan 0.000 0.415 277 Q N -2.058 117.777 119.800 0.058 0.000 2.378 277 Q HA -0.109 4.225 4.340 -0.011 0.000 0.205 277 Q C 0.937 176.962 176.000 0.042 0.000 0.954 277 Q CA 1.296 57.142 55.803 0.070 0.000 0.901 277 Q CB -0.261 28.521 28.738 0.073 0.000 0.981 277 Q HN 0.460 nan 8.270 nan 0.000 0.483 278 D N 1.621 122.030 120.400 0.014 0.000 2.144 278 D HA -0.078 4.556 4.640 -0.011 0.000 0.207 278 D C 2.034 178.339 176.300 0.009 0.000 0.970 278 D CA 0.640 54.636 54.000 -0.006 0.000 0.853 278 D CB -0.206 40.582 40.800 -0.019 0.000 1.007 278 D HN 0.219 nan 8.370 nan 0.000 0.469 279 L N 0.754 121.974 121.223 -0.005 0.000 2.129 279 L HA -0.138 4.195 4.340 -0.011 0.000 0.212 279 L C 2.099 178.958 176.870 -0.018 0.000 1.087 279 L CA 0.951 55.778 54.840 -0.022 0.000 0.757 279 L CB -0.044 41.996 42.059 -0.032 0.000 0.896 279 L HN -0.000 nan 8.230 nan 0.000 0.434 280 L N -1.286 119.947 121.223 0.016 0.000 2.554 280 L HA -0.130 4.203 4.340 -0.011 0.000 0.226 280 L C 2.103 178.989 176.870 0.026 0.000 1.137 280 L CA 0.220 55.085 54.840 0.042 0.000 0.863 280 L CB -0.240 41.877 42.059 0.097 0.000 0.985 280 L HN 0.373 nan 8.230 nan 0.000 0.451 281 H N -0.114 118.833 119.070 -0.205 0.000 2.448 281 H HA -0.025 4.525 4.556 -0.011 0.000 0.292 281 H C 2.294 177.237 175.328 -0.641 0.000 1.035 281 H CA 1.208 56.907 56.048 -0.581 0.000 1.349 281 H CB 0.290 29.800 29.762 -0.419 0.000 1.425 281 H HN 0.032 nan 8.280 nan 0.000 0.539 282 R N -0.369 119.938 120.500 -0.321 0.000 2.096 282 R HA -0.122 4.211 4.340 -0.011 0.000 0.240 282 R C 2.313 178.431 176.300 -0.302 0.000 1.139 282 R CA 1.602 57.529 56.100 -0.289 0.000 0.952 282 R CB -0.524 29.692 30.300 -0.140 0.000 0.854 282 R HN 0.178 nan 8.270 nan 0.000 0.436 283 V N 1.419 121.211 119.914 -0.202 0.000 2.453 283 V HA -0.264 3.850 4.120 -0.011 0.000 0.252 283 V C 1.839 177.870 176.094 -0.105 0.000 1.068 283 V CA 2.212 64.449 62.300 -0.105 0.000 1.070 283 V CB -0.736 31.080 31.823 -0.012 0.000 0.664 283 V HN 0.593 nan 8.190 nan 0.000 0.461 284 H N -2.015 116.840 119.070 -0.359 0.000 3.058 284 H HA 0.300 4.850 4.556 -0.011 0.000 0.266 284 H C 1.779 176.857 175.328 -0.417 0.000 1.135 284 H CA 0.737 56.575 56.048 -0.350 0.000 1.174 284 H CB 0.061 29.599 29.762 -0.374 0.000 1.581 284 H HN 0.349 nan 8.280 nan 0.000 0.553 285 G N 1.303 109.594 108.800 -0.848 0.000 2.249 285 G HA2 -0.336 3.618 3.960 -0.011 0.000 0.273 285 G HA3 -0.336 3.618 3.960 -0.011 0.000 0.273 285 G C 1.295 175.774 174.900 -0.701 0.000 0.995 285 G CA 1.498 46.145 45.100 -0.753 0.000 0.671 285 G HN 1.440 nan 8.290 nan 0.000 0.539 286 G N -1.393 107.016 108.800 -0.652 0.000 2.198 286 G HA2 -0.117 3.837 3.960 -0.011 0.000 0.156 286 G HA3 -0.117 3.837 3.960 -0.011 0.000 0.156 286 G C -0.129 174.840 174.900 0.115 0.000 1.012 286 G CA 0.612 45.631 45.100 -0.135 0.000 0.692 286 G HN 1.324 nan 8.290 nan 0.000 0.492 287 N N 0.856 119.607 118.700 0.085 0.000 2.411 287 N HA 0.441 5.175 4.740 -0.011 0.000 0.259 287 N C 1.650 177.312 175.510 0.253 0.000 1.103 287 N CA -0.139 52.994 53.050 0.139 0.000 0.954 287 N CB 0.494 39.017 38.487 0.061 0.000 1.085 287 N HN 0.189 nan 8.380 nan 0.000 0.485 288 I N 2.438 123.155 120.570 0.245 0.000 2.229 288 I HA -0.365 3.799 4.170 -0.011 0.000 0.250 288 I C 0.962 177.177 176.117 0.163 0.000 1.096 288 I CA 1.501 62.951 61.300 0.249 0.000 1.358 288 I CB 0.095 38.200 38.000 0.175 0.000 1.047 288 I HN 0.608 nan 8.210 nan 0.000 0.422 289 T N -0.074 114.534 114.554 0.090 0.000 3.035 289 T HA -0.042 4.302 4.350 -0.011 0.000 0.259 289 T C 1.772 176.494 174.700 0.036 0.000 1.078 289 T CA 0.474 62.589 62.100 0.024 0.000 1.132 289 T CB 0.064 68.923 68.868 -0.016 0.000 0.900 289 T HN 0.308 nan 8.240 nan 0.000 0.480 290 K N -0.259 120.184 120.400 0.072 0.000 2.288 290 K HA -0.026 4.287 4.320 -0.011 0.000 0.201 290 K C 1.767 178.402 176.600 0.057 0.000 1.048 290 K CA 0.509 56.829 56.287 0.056 0.000 0.956 290 K CB 0.055 32.589 32.500 0.057 0.000 0.746 290 K HN 0.329 nan 8.250 nan 0.000 0.461 291 W N 0.881 122.090 121.300 -0.151 0.000 2.587 291 W HA -0.053 4.600 4.660 -0.011 0.000 0.307 291 W C 1.766 178.053 176.519 -0.386 0.000 1.138 291 W CA 0.191 57.269 57.345 -0.444 0.000 1.450 291 W CB -0.755 28.460 29.460 -0.408 0.000 1.149 291 W HN -0.331 nan 8.180 nan 0.000 0.512 292 V N 1.450 121.375 119.914 0.019 0.000 2.527 292 V HA -0.321 3.792 4.120 -0.011 0.000 0.255 292 V C 2.345 178.358 176.094 -0.134 0.000 1.081 292 V CA 1.677 63.922 62.300 -0.092 0.000 1.092 292 V CB -0.896 30.901 31.823 -0.042 0.000 0.673 292 V HN 0.139 nan 8.190 nan 0.000 0.470 293 L N -1.566 119.604 121.223 -0.089 0.000 2.084 293 L HA -0.094 4.240 4.340 -0.011 0.000 0.202 293 L C 2.400 179.207 176.870 -0.106 0.000 1.074 293 L CA 1.680 56.476 54.840 -0.073 0.000 0.757 293 L CB -0.373 41.664 42.059 -0.035 0.000 0.918 293 L HN 0.320 nan 8.230 nan 0.000 0.444 294 M N -0.226 119.305 119.600 -0.115 0.000 2.337 294 M HA -0.165 4.309 4.480 -0.011 0.000 0.261 294 M C 1.813 177.974 176.300 -0.232 0.000 1.067 294 M CA 1.848 57.076 55.300 -0.121 0.000 1.074 294 M CB -0.343 32.199 32.600 -0.098 0.000 1.395 294 M HN 0.277 nan 8.290 nan 0.000 0.431 295 G N -0.469 108.047 108.800 -0.473 0.000 2.637 295 G HA2 -0.149 3.805 3.960 -0.011 0.000 0.215 295 G HA3 -0.149 3.805 3.960 -0.011 0.000 0.215 295 G C 1.332 176.086 174.900 -0.244 0.000 1.289 295 G CA 0.718 45.320 45.100 -0.829 0.000 0.816 295 G HN 0.565 nan 8.290 nan 0.000 0.580 296 G N 1.058 109.779 108.800 -0.131 0.000 2.517 296 G HA2 -0.041 3.912 3.960 -0.011 0.000 0.222 296 G HA3 -0.041 3.912 3.960 -0.011 0.000 0.222 296 G C 1.960 176.777 174.900 -0.139 0.000 1.109 296 G CA 1.762 46.823 45.100 -0.065 0.000 0.746 296 G HN 0.749 nan 8.290 nan 0.000 0.576 297 A N 0.740 123.502 122.820 -0.096 0.000 1.855 297 A HA 0.059 4.373 4.320 -0.011 0.000 0.215 297 A C 2.416 179.943 177.584 -0.095 0.000 1.191 297 A CA 1.366 53.374 52.037 -0.048 0.000 0.613 297 A CB -0.302 18.706 19.000 0.013 0.000 0.829 297 A HN 0.372 nan 8.150 nan 0.000 0.442 298 I N -0.509 120.023 120.570 -0.063 0.000 2.163 298 I HA -0.153 4.010 4.170 -0.011 0.000 0.240 298 I C 2.816 178.896 176.117 -0.062 0.000 1.081 298 I CA 1.114 62.401 61.300 -0.022 0.000 1.353 298 I CB -1.137 36.889 38.000 0.044 0.000 1.054 298 I HN 0.399 nan 8.210 nan 0.000 0.407 299 G N 1.073 109.850 108.800 -0.038 0.000 2.529 299 G HA2 -0.285 3.669 3.960 -0.011 0.000 0.219 299 G HA3 -0.285 3.669 3.960 -0.011 0.000 0.219 299 G C 1.700 176.475 174.900 -0.208 0.000 1.177 299 G CA 1.158 46.225 45.100 -0.055 0.000 0.773 299 G HN 0.511 nan 8.290 nan 0.000 0.573 300 G N 0.664 109.200 108.800 -0.440 0.000 2.440 300 G HA2 -0.160 3.794 3.960 -0.011 0.000 0.218 300 G HA3 -0.160 3.794 3.960 -0.011 0.000 0.218 300 G C 1.781 176.243 174.900 -0.731 0.000 1.154 300 G CA 1.110 45.674 45.100 -0.893 0.000 0.767 300 G HN 0.474 nan 8.290 nan 0.000 0.552 301 L N 0.617 121.553 121.223 -0.478 0.000 2.013 301 L HA -0.120 4.213 4.340 -0.011 0.000 0.212 301 L C 2.840 179.687 176.870 -0.038 0.000 1.073 301 L CA 1.919 56.699 54.840 -0.100 0.000 0.753 301 L CB -0.798 41.263 42.059 0.003 0.000 0.890 301 L HN 0.273 nan 8.230 nan 0.000 0.432 302 C N -0.049 119.216 119.300 -0.058 0.000 2.436 302 C HA -0.097 4.356 4.460 -0.011 0.000 0.277 302 C C 2.800 177.788 174.990 -0.003 0.000 1.241 302 C CA 0.799 59.812 59.018 -0.009 0.000 1.721 302 C CB -2.005 25.732 27.740 -0.005 0.000 2.043 302 C HN 0.777 nan 8.230 nan 0.000 0.472 303 G N -0.153 108.615 108.800 -0.054 0.000 2.485 303 G HA2 -0.225 3.728 3.960 -0.011 0.000 0.221 303 G HA3 -0.225 3.728 3.960 -0.011 0.000 0.221 303 G C 1.529 176.454 174.900 0.041 0.000 1.115 303 G CA 0.959 46.040 45.100 -0.031 0.000 0.751 303 G HN 0.502 nan 8.290 nan 0.000 0.567 304 L N -0.226 121.038 121.223 0.068 0.000 2.095 304 L HA 0.256 4.589 4.340 -0.011 0.000 0.204 304 L C 2.680 179.653 176.870 0.171 0.000 1.080 304 L CA 0.987 55.928 54.840 0.167 0.000 0.759 304 L CB -0.184 42.019 42.059 0.239 0.000 0.914 304 L HN 0.174 nan 8.230 nan 0.000 0.439 305 L N -0.606 120.694 121.223 0.128 0.000 2.083 305 L HA -0.095 4.239 4.340 -0.011 0.000 0.209 305 L C 2.249 179.205 176.870 0.144 0.000 1.083 305 L CA 1.177 56.093 54.840 0.126 0.000 0.752 305 L CB -1.121 40.995 42.059 0.095 0.000 0.899 305 L HN 0.409 nan 8.230 nan 0.000 0.433 306 G N -1.438 107.444 108.800 0.137 0.000 2.740 306 G HA2 -0.259 3.694 3.960 -0.011 0.000 0.208 306 G HA3 -0.259 3.694 3.960 -0.011 0.000 0.208 306 G C 0.739 175.792 174.900 0.256 0.000 1.148 306 G CA 0.205 45.394 45.100 0.149 0.000 0.795 306 G HN 0.371 nan 8.290 nan 0.000 0.526 307 F N -0.145 119.836 119.950 0.051 0.000 2.944 307 F HA 0.263 4.786 4.527 -0.007 0.000 0.332 307 F C 0.717 176.560 175.800 0.072 0.000 1.215 307 F CA -0.545 57.484 58.000 0.049 0.000 1.079 307 F CB 0.688 39.699 39.000 0.018 0.000 1.272 307 F HN 0.121 nan 8.300 nan 0.000 0.509 308 V N -1.383 118.537 119.914 0.009 0.000 3.537 308 V HA 0.843 4.957 4.120 -0.011 0.000 0.315 308 V C 0.121 176.248 176.094 0.055 0.000 1.541 308 V CA 0.313 62.587 62.300 -0.042 0.000 1.160 308 V CB 0.054 31.889 31.823 0.020 0.000 0.998 308 V HN 0.745 nan 8.190 nan 0.000 0.473 309 A N -0.078 122.803 122.820 0.101 0.000 1.875 309 A HA 0.359 4.672 4.320 -0.011 0.000 0.233 309 A C -1.760 175.931 177.584 0.179 0.000 2.856 309 A CA 0.332 52.471 52.037 0.170 0.000 2.125 309 A CB -1.209 17.955 19.000 0.273 0.000 0.263 309 A HN 0.298 nan 8.150 nan 0.000 0.948 310 P HA -0.235 nan 4.420 nan 0.000 0.219 310 P C 1.650 179.033 177.300 0.138 0.000 1.147 310 P CA 2.141 65.329 63.100 0.147 0.000 0.821 310 P CB 0.208 31.998 31.700 0.151 0.000 0.771 311 A N -1.133 121.784 122.820 0.162 0.000 2.168 311 A HA -0.091 4.222 4.320 -0.011 0.000 0.215 311 A C 2.000 179.613 177.584 0.048 0.000 1.152 311 A CA 1.816 53.926 52.037 0.123 0.000 0.716 311 A CB -1.311 17.764 19.000 0.126 0.000 0.794 311 A HN 0.349 nan 8.150 nan 0.000 0.465 312 T N -4.153 110.430 114.554 0.047 0.000 3.040 312 T HA 0.214 4.558 4.350 -0.011 0.000 0.252 312 T C 1.149 175.854 174.700 0.008 0.000 1.064 312 T CA 0.796 62.874 62.100 -0.035 0.000 1.110 312 T CB -0.074 68.750 68.868 -0.073 0.000 0.921 312 T HN 0.238 nan 8.240 nan 0.000 0.480 313 S N -0.568 115.161 115.700 0.048 0.000 2.713 313 S HA 0.676 5.140 4.470 -0.011 0.000 0.296 313 S C 0.529 175.161 174.600 0.053 0.000 1.114 313 S CA 0.320 58.549 58.200 0.049 0.000 0.997 313 S CB 0.731 63.965 63.200 0.057 0.000 1.249 313 S HN 1.388 nan 8.310 nan 0.000 0.534 314 G N -0.275 108.551 108.800 0.043 0.000 2.829 314 G HA2 -0.021 3.933 3.960 -0.011 0.000 0.628 314 G HA3 -0.021 3.933 3.960 -0.011 0.000 0.628 314 G C 0.803 175.717 174.900 0.023 0.000 1.412 314 G CA -0.006 45.116 45.100 0.037 0.000 0.864 314 G HN 1.447 nan 8.290 nan 0.000 0.544 315 G N -0.822 107.979 108.800 0.002 0.000 2.491 315 G HA2 0.306 4.260 3.960 -0.011 0.000 0.218 315 G HA3 0.306 4.260 3.960 -0.011 0.000 0.218 315 G C 2.092 176.967 174.900 -0.041 0.000 1.180 315 G CA 2.694 47.762 45.100 -0.054 0.000 0.774 315 G HN 2.792 nan 8.290 nan 0.000 0.562 316 G N -1.290 107.536 108.800 0.042 0.000 2.316 316 G HA2 -0.232 3.721 3.960 -0.011 0.000 0.203 316 G HA3 -0.232 3.721 3.960 -0.011 0.000 0.203 316 G C 1.209 176.240 174.900 0.219 0.000 0.999 316 G CA 0.476 45.633 45.100 0.094 0.000 0.649 316 G HN 0.375 nan 8.290 nan 0.000 0.489 317 F N 2.363 122.354 119.950 0.068 0.000 2.025 317 F HA -0.212 4.308 4.527 -0.012 0.000 0.297 317 F C 2.821 178.667 175.800 0.077 0.000 1.132 317 F CA 1.959 60.000 58.000 0.068 0.000 1.191 317 F CB -0.335 38.690 39.000 0.042 0.000 0.963 317 F HN 0.472 nan 8.300 nan 0.000 0.481 318 N N 1.439 120.310 118.700 0.284 0.000 2.580 318 N HA -0.213 4.521 4.740 -0.011 0.000 0.193 318 N C 1.307 176.923 175.510 0.178 0.000 1.075 318 N CA 1.133 54.288 53.050 0.176 0.000 0.921 318 N CB -0.402 38.172 38.487 0.145 0.000 0.950 318 N HN 0.463 nan 8.380 nan 0.000 0.449 319 L N -3.140 118.213 121.223 0.217 0.000 2.638 319 L HA 0.418 4.751 4.340 -0.011 0.000 0.232 319 L C 1.699 178.737 176.870 0.279 0.000 1.099 319 L CA 0.093 55.096 54.840 0.273 0.000 0.883 319 L CB -0.101 42.122 42.059 0.274 0.000 1.136 319 L HN -0.007 nan 8.230 nan 0.000 0.492 320 I N 0.929 121.630 120.570 0.218 0.000 2.179 320 I HA -0.106 4.057 4.170 -0.011 0.000 0.242 320 I C -0.218 175.988 176.117 0.148 0.000 1.088 320 I CA 1.281 62.692 61.300 0.185 0.000 1.357 320 I CB -1.568 36.534 38.000 0.170 0.000 1.051 320 I HN 0.258 nan 8.210 nan 0.000 0.409 321 P HA -0.165 nan 4.420 nan 0.000 0.215 321 P C 1.871 179.212 177.300 0.069 0.000 1.153 321 P CA 1.650 64.790 63.100 0.067 0.000 0.853 321 P CB -0.024 31.701 31.700 0.041 0.000 0.788 322 I N -0.938 119.682 120.570 0.085 0.000 2.252 322 I HA -0.223 3.941 4.170 -0.011 0.000 0.245 322 I C 2.342 178.494 176.117 0.058 0.000 1.102 322 I CA 1.437 62.739 61.300 0.003 0.000 1.385 322 I CB -0.863 37.103 38.000 -0.057 0.000 1.064 322 I HN -0.082 nan 8.210 nan 0.000 0.414 323 A N 0.777 123.785 122.820 0.313 0.000 1.873 323 A HA -0.184 4.130 4.320 -0.011 0.000 0.215 323 A C 2.354 180.069 177.584 0.218 0.000 1.186 323 A CA 2.364 54.657 52.037 0.426 0.000 0.616 323 A CB -1.181 18.039 19.000 0.367 0.000 0.823 323 A HN 0.391 nan 8.150 nan 0.000 0.442 324 T N 0.473 115.120 114.554 0.155 0.000 2.897 324 T HA 0.008 4.351 4.350 -0.011 0.000 0.271 324 T C 1.975 176.727 174.700 0.088 0.000 1.084 324 T CA 1.298 63.466 62.100 0.114 0.000 1.123 324 T CB -0.324 68.600 68.868 0.092 0.000 0.865 324 T HN 0.584 nan 8.240 nan 0.000 0.496 325 A N 0.684 123.543 122.820 0.065 0.000 1.930 325 A HA 0.451 4.765 4.320 -0.011 0.000 0.215 325 A C 2.220 179.826 177.584 0.035 0.000 1.176 325 A CA 1.336 53.394 52.037 0.034 0.000 0.632 325 A CB -0.669 18.330 19.000 -0.003 0.000 0.819 325 A HN 0.804 nan 8.150 nan 0.000 0.445 326 G N -1.168 107.660 108.800 0.047 0.000 2.184 326 G HA2 -0.228 3.725 3.960 -0.011 0.000 0.206 326 G HA3 -0.228 3.725 3.960 -0.011 0.000 0.206 326 G C 0.528 175.437 174.900 0.014 0.000 0.995 326 G CA 0.459 45.592 45.100 0.055 0.000 0.651 326 G HN 0.521 nan 8.290 nan 0.000 0.511 327 N N -0.648 118.006 118.700 -0.077 0.000 2.430 327 N HA 0.027 4.761 4.740 -0.011 0.000 0.186 327 N C 0.218 175.595 175.510 -0.222 0.000 1.032 327 N CA 0.493 53.432 53.050 -0.185 0.000 0.893 327 N CB -0.082 38.227 38.487 -0.297 0.000 0.957 327 N HN 0.406 nan 8.380 nan 0.000 0.442 328 F N 0.876 120.848 119.950 0.035 0.000 2.375 328 F HA 0.164 4.682 4.527 -0.014 0.000 0.333 328 F C 1.105 176.921 175.800 0.027 0.000 1.104 328 F CA -1.242 56.782 58.000 0.040 0.000 1.149 328 F CB 0.865 39.900 39.000 0.058 0.000 1.190 328 F HN -0.159 nan 8.300 nan 0.000 0.533 329 S N 2.490 118.329 115.700 0.232 0.000 2.632 329 S HA 0.197 4.661 4.470 -0.011 0.000 0.267 329 S C 1.101 175.769 174.600 0.113 0.000 1.276 329 S CA -0.812 57.461 58.200 0.121 0.000 0.998 329 S CB 0.888 64.135 63.200 0.079 0.000 0.953 329 S HN 0.763 nan 8.310 nan 0.000 0.547 330 M N 2.468 122.104 119.600 0.059 0.000 2.108 330 M HA -0.013 4.460 4.480 -0.011 0.000 0.257 330 M C 1.711 178.038 176.300 0.045 0.000 1.071 330 M CA 2.257 57.578 55.300 0.034 0.000 1.093 330 M CB -1.597 31.003 32.600 0.001 0.000 1.345 330 M HN 0.896 nan 8.290 nan 0.000 0.403 331 G N -0.310 108.521 108.800 0.052 0.000 2.505 331 G HA2 -0.229 3.724 3.960 -0.011 0.000 0.214 331 G HA3 -0.229 3.724 3.960 -0.011 0.000 0.214 331 G C 1.433 176.394 174.900 0.101 0.000 1.237 331 G CA 1.031 46.169 45.100 0.064 0.000 0.802 331 G HN 0.513 nan 8.290 nan 0.000 0.549 332 M N 0.531 120.193 119.600 0.104 0.000 2.201 332 M HA -0.124 4.349 4.480 -0.011 0.000 0.251 332 M C 2.241 178.609 176.300 0.113 0.000 1.090 332 M CA 1.246 56.630 55.300 0.140 0.000 1.063 332 M CB -0.588 32.140 32.600 0.213 0.000 1.360 332 M HN 0.250 nan 8.290 nan 0.000 0.401 333 L N -1.955 119.299 121.223 0.052 0.000 1.961 333 L HA -0.231 4.103 4.340 -0.011 0.000 0.209 333 L C 2.255 179.155 176.870 0.049 0.000 1.075 333 L CA 1.436 56.252 54.840 -0.039 0.000 0.749 333 L CB -0.989 41.060 42.059 -0.016 0.000 0.890 333 L HN 0.112 nan 8.230 nan 0.000 0.433 334 V N 0.102 120.068 119.914 0.086 0.000 2.277 334 V HA -0.404 3.709 4.120 -0.011 0.000 0.255 334 V C 2.208 178.427 176.094 0.209 0.000 1.074 334 V CA 2.585 64.976 62.300 0.152 0.000 1.058 334 V CB -0.741 31.157 31.823 0.125 0.000 0.656 334 V HN 0.441 nan 8.190 nan 0.000 0.449 335 F N 0.541 120.520 119.950 0.048 0.000 2.051 335 F HA -0.202 4.324 4.527 -0.002 0.000 0.296 335 F C 2.199 178.018 175.800 0.033 0.000 1.122 335 F CA 2.139 60.161 58.000 0.037 0.000 1.201 335 F CB -0.322 38.690 39.000 0.019 0.000 0.978 335 F HN 0.072 nan 8.300 nan 0.000 0.472 336 I N -0.356 120.211 120.570 -0.005 0.000 2.399 336 I HA -0.301 3.862 4.170 -0.011 0.000 0.254 336 I C 2.195 178.270 176.117 -0.069 0.000 1.146 336 I CA 0.982 62.184 61.300 -0.162 0.000 1.412 336 I CB -0.713 37.175 38.000 -0.188 0.000 1.076 336 I HN 0.268 nan 8.210 nan 0.000 0.432 337 F N 1.592 121.445 119.950 -0.161 0.000 1.992 337 F HA -0.167 4.353 4.527 -0.012 0.000 0.292 337 F C 2.401 178.145 175.800 -0.093 0.000 1.192 337 F CA 1.516 59.444 58.000 -0.120 0.000 1.157 337 F CB -0.984 37.953 39.000 -0.104 0.000 0.981 337 F HN -0.257 nan 8.300 nan 0.000 0.483 338 V N 1.296 121.065 119.914 -0.242 0.000 2.236 338 V HA -0.443 3.671 4.120 -0.011 0.000 0.255 338 V C 2.751 178.706 176.094 -0.232 0.000 1.068 338 V CA 2.749 64.874 62.300 -0.291 0.000 1.044 338 V CB -1.871 29.884 31.823 -0.113 0.000 0.653 338 V HN 0.632 nan 8.190 nan 0.000 0.448 339 A N -0.448 122.193 122.820 -0.299 0.000 1.915 339 A HA -0.334 3.980 4.320 -0.011 0.000 0.220 339 A C 2.325 179.805 177.584 -0.174 0.000 1.198 339 A CA 2.606 54.455 52.037 -0.313 0.000 0.647 339 A CB -0.625 18.002 19.000 -0.621 0.000 0.825 339 A HN 0.594 nan 8.150 nan 0.000 0.456 340 R N -1.028 119.380 120.500 -0.154 0.000 2.073 340 R HA -0.033 4.300 4.340 -0.011 0.000 0.229 340 R C 2.045 178.345 176.300 0.001 0.000 1.120 340 R CA 1.241 57.310 56.100 -0.052 0.000 0.967 340 R CB -0.619 29.672 30.300 -0.015 0.000 0.862 340 R HN 0.412 nan 8.270 nan 0.000 0.436 341 V N 1.576 121.441 119.914 -0.081 0.000 2.380 341 V HA -0.283 3.831 4.120 -0.011 0.000 0.251 341 V C 2.197 178.396 176.094 0.176 0.000 1.063 341 V CA 1.793 64.129 62.300 0.060 0.000 1.055 341 V CB -0.412 31.340 31.823 -0.119 0.000 0.657 341 V HN 0.270 nan 8.190 nan 0.000 0.455 342 I N 0.418 121.023 120.570 0.058 0.000 2.272 342 I HA -0.162 4.002 4.170 -0.011 0.000 0.235 342 I C 2.781 178.942 176.117 0.073 0.000 1.071 342 I CA 1.688 63.021 61.300 0.055 0.000 1.374 342 I CB -0.888 37.109 38.000 -0.005 0.000 1.121 342 I HN 0.436 nan 8.210 nan 0.000 0.420 343 T N -1.783 112.796 114.554 0.042 0.000 2.836 343 T HA -0.211 4.133 4.350 -0.011 0.000 0.268 343 T C 1.615 176.377 174.700 0.103 0.000 1.080 343 T CA 2.027 64.160 62.100 0.056 0.000 1.128 343 T CB -0.932 67.952 68.868 0.027 0.000 0.839 343 T HN 0.279 nan 8.240 nan 0.000 0.507 344 T N 1.899 116.536 114.554 0.139 0.000 2.706 344 T HA 0.229 4.572 4.350 -0.011 0.000 0.255 344 T C 1.904 176.758 174.700 0.257 0.000 1.048 344 T CA 1.012 63.234 62.100 0.204 0.000 1.153 344 T CB -0.442 68.581 68.868 0.258 0.000 0.865 344 T HN 0.283 nan 8.240 nan 0.000 0.414 345 L N 0.803 122.171 121.223 0.242 0.000 1.951 345 L HA -0.144 4.190 4.340 -0.011 0.000 0.222 345 L C 2.506 179.495 176.870 0.198 0.000 1.078 345 L CA 1.142 56.105 54.840 0.206 0.000 0.778 345 L CB -0.842 41.283 42.059 0.110 0.000 0.893 345 L HN 0.194 nan 8.230 nan 0.000 0.436 346 L N -0.726 120.579 121.223 0.137 0.000 2.171 346 L HA -0.322 4.011 4.340 -0.011 0.000 0.216 346 L C 2.367 179.327 176.870 0.149 0.000 1.084 346 L CA 1.859 56.769 54.840 0.116 0.000 0.771 346 L CB -0.656 41.451 42.059 0.080 0.000 0.890 346 L HN 0.412 nan 8.230 nan 0.000 0.437 347 C N -2.357 117.048 119.300 0.175 0.000 2.518 347 C HA 0.040 4.493 4.460 -0.011 0.000 0.283 347 C C 2.485 177.597 174.990 0.203 0.000 1.351 347 C CA 0.130 59.258 59.018 0.183 0.000 1.745 347 C CB -0.760 27.075 27.740 0.158 0.000 2.107 347 C HN 0.675 nan 8.230 nan 0.000 0.502 348 F N 1.033 121.054 119.950 0.118 0.000 2.219 348 F HA 0.034 4.554 4.527 -0.011 0.000 0.294 348 F C 2.427 178.305 175.800 0.130 0.000 1.086 348 F CA 1.787 59.855 58.000 0.115 0.000 1.330 348 F CB -0.442 38.630 39.000 0.120 0.000 1.047 348 F HN 0.009 nan 8.300 nan 0.000 0.495 349 S N -0.186 115.610 115.700 0.160 0.000 2.419 349 S HA -0.189 4.275 4.470 -0.011 0.000 0.233 349 S C 2.031 176.682 174.600 0.086 0.000 1.016 349 S CA 1.221 59.474 58.200 0.088 0.000 0.974 349 S CB -0.739 62.549 63.200 0.148 0.000 0.786 349 S HN 0.570 nan 8.310 nan 0.000 0.492 350 S N 0.964 116.754 115.700 0.151 0.000 2.584 350 S HA 0.118 4.581 4.470 -0.011 0.000 0.240 350 S C 1.517 176.373 174.600 0.427 0.000 0.975 350 S CA 0.887 59.281 58.200 0.324 0.000 0.949 350 S CB -0.886 62.528 63.200 0.355 0.000 0.761 350 S HN 0.758 nan 8.310 nan 0.000 0.536 351 G N 0.462 109.338 108.800 0.128 0.000 2.180 351 G HA2 -0.203 3.750 3.960 -0.011 0.000 0.263 351 G HA3 -0.203 3.750 3.960 -0.011 0.000 0.263 351 G C 0.327 175.128 174.900 -0.165 0.000 0.989 351 G CA 0.272 45.394 45.100 0.036 0.000 0.692 351 G HN 1.416 nan 8.290 nan 0.000 0.526 352 A N 0.730 123.424 122.820 -0.211 0.000 2.425 352 A HA 0.620 4.934 4.320 -0.011 0.000 0.242 352 A C -1.208 176.148 177.584 -0.381 0.000 1.077 352 A CA -0.550 51.118 52.037 -0.614 0.000 0.781 352 A CB 0.406 19.074 19.000 -0.553 0.000 1.020 352 A HN 0.289 nan 8.150 nan 0.000 0.494 353 P HA 0.420 nan 4.420 nan 0.000 0.276 353 P C 0.090 177.352 177.300 -0.063 0.000 1.264 353 P CA 0.659 63.653 63.100 -0.177 0.000 0.769 353 P CB 0.682 32.286 31.700 -0.159 0.000 0.840 354 G N 1.883 110.697 108.800 0.022 0.000 2.325 354 G HA2 0.483 4.436 3.960 -0.011 0.000 0.297 354 G HA3 0.483 4.436 3.960 -0.011 0.000 0.297 354 G C -1.259 173.759 174.900 0.198 0.000 1.448 354 G CA -0.429 44.733 45.100 0.104 0.000 0.838 354 G HN 0.530 nan 8.290 nan 0.000 0.579 355 G N -1.030 107.890 108.800 0.200 0.000 2.400 355 G HA2 0.562 4.515 3.960 -0.011 0.000 0.333 355 G HA3 0.562 4.515 3.960 -0.011 0.000 0.333 355 G C 0.549 175.580 174.900 0.219 0.000 1.143 355 G CA -0.502 44.748 45.100 0.251 0.000 0.914 355 G HN 1.018 nan 8.290 nan 0.000 0.480 356 I N 1.933 122.575 120.570 0.119 0.000 3.883 356 I HA 0.247 4.410 4.170 -0.011 0.000 0.326 356 I C 1.257 177.329 176.117 -0.074 0.000 1.283 356 I CA -0.376 60.833 61.300 -0.151 0.000 1.161 356 I CB -0.099 37.370 38.000 -0.885 0.000 1.012 356 I HN 0.604 nan 8.210 nan 0.000 0.421 357 F N 1.440 121.361 119.950 -0.048 0.000 2.060 357 F HA -0.175 4.345 4.527 -0.011 0.000 0.295 357 F C 2.489 178.292 175.800 0.004 0.000 1.120 357 F CA 2.041 60.031 58.000 -0.018 0.000 1.205 357 F CB -0.124 38.896 39.000 0.034 0.000 0.986 357 F HN 0.157 nan 8.300 nan 0.000 0.470 358 A N 1.192 124.170 122.820 0.263 0.000 1.828 358 A HA -0.155 4.159 4.320 -0.011 0.000 0.215 358 A C -0.445 177.117 177.584 -0.037 0.000 1.203 358 A CA 1.804 53.859 52.037 0.031 0.000 0.614 358 A CB -2.408 16.407 19.000 -0.308 0.000 0.844 358 A HN 0.323 nan 8.150 nan 0.000 0.445 359 P HA -0.194 nan 4.420 nan 0.000 0.223 359 P C 1.317 178.606 177.300 -0.018 0.000 1.140 359 P CA 1.362 64.449 63.100 -0.021 0.000 0.783 359 P CB -0.263 31.444 31.700 0.012 0.000 0.759 360 M N -1.594 117.978 119.600 -0.048 0.000 2.388 360 M HA -0.008 4.465 4.480 -0.011 0.000 0.265 360 M C 2.190 178.477 176.300 -0.022 0.000 1.088 360 M CA 1.019 56.257 55.300 -0.102 0.000 1.134 360 M CB -0.392 32.092 32.600 -0.193 0.000 1.384 360 M HN -0.038 nan 8.290 nan 0.000 0.447 361 L N -0.270 120.980 121.223 0.045 0.000 2.005 361 L HA -0.146 4.187 4.340 -0.011 0.000 0.207 361 L C 2.821 179.767 176.870 0.128 0.000 1.072 361 L CA 1.293 56.204 54.840 0.118 0.000 0.744 361 L CB -0.916 41.301 42.059 0.263 0.000 0.895 361 L HN 0.259 nan 8.230 nan 0.000 0.433 362 A N 0.190 123.089 122.820 0.132 0.000 1.883 362 A HA -0.197 4.117 4.320 -0.011 0.000 0.217 362 A C 2.252 179.895 177.584 0.099 0.000 1.186 362 A CA 1.455 53.571 52.037 0.132 0.000 0.624 362 A CB -0.773 18.296 19.000 0.116 0.000 0.822 362 A HN 0.330 nan 8.150 nan 0.000 0.444 363 L N -0.839 120.431 121.223 0.079 0.000 2.043 363 L HA -0.214 4.119 4.340 -0.011 0.000 0.212 363 L C 2.807 179.734 176.870 0.095 0.000 1.075 363 L CA 1.831 56.735 54.840 0.106 0.000 0.752 363 L CB -1.428 40.664 42.059 0.056 0.000 0.891 363 L HN 0.547 nan 8.230 nan 0.000 0.432 364 G N -0.624 108.252 108.800 0.127 0.000 2.433 364 G HA2 -0.246 3.708 3.960 -0.011 0.000 0.216 364 G HA3 -0.246 3.708 3.960 -0.011 0.000 0.216 364 G C 1.542 176.527 174.900 0.142 0.000 1.186 364 G CA 1.221 46.450 45.100 0.215 0.000 0.779 364 G HN 0.307 nan 8.290 nan 0.000 0.543 365 T N 1.144 115.757 114.554 0.098 0.000 2.624 365 T HA -0.200 4.143 4.350 -0.011 0.000 0.268 365 T C 2.465 177.211 174.700 0.076 0.000 1.041 365 T CA 1.659 63.816 62.100 0.095 0.000 1.159 365 T CB -0.529 68.409 68.868 0.116 0.000 0.863 365 T HN 0.064 nan 8.240 nan 0.000 0.434 366 V N 1.851 121.790 119.914 0.041 0.000 2.214 366 V HA -0.142 3.971 4.120 -0.011 0.000 0.244 366 V C 2.431 178.444 176.094 -0.135 0.000 1.045 366 V CA 1.804 64.084 62.300 -0.034 0.000 0.993 366 V CB -1.028 30.764 31.823 -0.051 0.000 0.633 366 V HN 0.358 nan 8.190 nan 0.000 0.449 367 L N 1.545 122.580 121.223 -0.313 0.000 2.103 367 L HA -0.167 4.167 4.340 -0.011 0.000 0.215 367 L C 2.155 178.951 176.870 -0.122 0.000 1.080 367 L CA 2.594 57.133 54.840 -0.503 0.000 0.764 367 L CB -1.389 40.166 42.059 -0.840 0.000 0.890 367 L HN 0.316 nan 8.230 nan 0.000 0.435 368 G N -2.159 106.690 108.800 0.082 0.000 2.404 368 G HA2 -0.218 3.735 3.960 -0.011 0.000 0.215 368 G HA3 -0.218 3.735 3.960 -0.011 0.000 0.215 368 G C 1.427 176.416 174.900 0.147 0.000 1.174 368 G CA 0.979 46.182 45.100 0.171 0.000 0.780 368 G HN 0.436 nan 8.290 nan 0.000 0.537 369 T N 1.787 116.399 114.554 0.096 0.000 2.759 369 T HA -0.057 4.286 4.350 -0.011 0.000 0.269 369 T C 2.772 177.494 174.700 0.038 0.000 1.042 369 T CA 1.576 63.731 62.100 0.091 0.000 1.140 369 T CB -0.372 68.556 68.868 0.100 0.000 0.864 369 T HN 0.388 nan 8.240 nan 0.000 0.455 370 A N 1.271 124.088 122.820 -0.005 0.000 1.851 370 A HA -0.081 4.232 4.320 -0.011 0.000 0.216 370 A C 2.008 179.552 177.584 -0.067 0.000 1.195 370 A CA 1.643 53.647 52.037 -0.054 0.000 0.622 370 A CB -1.244 17.686 19.000 -0.116 0.000 0.831 370 A HN 0.492 nan 8.150 nan 0.000 0.444 371 F N 1.144 120.998 119.950 -0.160 0.000 2.184 371 F HA -0.170 4.351 4.527 -0.010 0.000 0.301 371 F C 2.236 177.829 175.800 -0.346 0.000 1.076 371 F CA 1.462 59.341 58.000 -0.202 0.000 1.295 371 F CB -0.450 38.469 39.000 -0.136 0.000 1.026 371 F HN 0.240 nan 8.300 nan 0.000 0.494 372 G N 0.175 108.917 108.800 -0.098 0.000 2.524 372 G HA2 -0.308 3.646 3.960 -0.011 0.000 0.215 372 G HA3 -0.308 3.646 3.960 -0.011 0.000 0.215 372 G C 1.661 176.389 174.900 -0.286 0.000 1.239 372 G CA 0.921 45.828 45.100 -0.322 0.000 0.798 372 G HN 0.369 nan 8.290 nan 0.000 0.557 373 M N -0.104 119.406 119.600 -0.150 0.000 2.116 373 M HA -0.189 4.285 4.480 -0.011 0.000 0.255 373 M C 2.644 178.831 176.300 -0.188 0.000 1.075 373 M CA 1.354 56.577 55.300 -0.127 0.000 1.087 373 M CB -0.284 32.272 32.600 -0.074 0.000 1.340 373 M HN 0.162 nan 8.290 nan 0.000 0.402 374 V N -0.363 119.388 119.914 -0.272 0.000 2.307 374 V HA -0.245 3.868 4.120 -0.011 0.000 0.245 374 V C 2.504 178.397 176.094 -0.335 0.000 1.045 374 V CA 1.895 64.007 62.300 -0.314 0.000 1.024 374 V CB -1.321 30.256 31.823 -0.410 0.000 0.651 374 V HN 0.573 nan 8.190 nan 0.000 0.449 375 A N 0.266 122.836 122.820 -0.417 0.000 1.873 375 A HA -0.204 4.110 4.320 -0.011 0.000 0.218 375 A C 2.403 179.952 177.584 -0.058 0.000 1.193 375 A CA 2.392 54.297 52.037 -0.220 0.000 0.629 375 A CB -0.930 17.778 19.000 -0.487 0.000 0.826 375 A HN 0.332 nan 8.150 nan 0.000 0.447 376 V N 1.305 121.139 119.914 -0.133 0.000 2.233 376 V HA -0.383 3.730 4.120 -0.011 0.000 0.252 376 V C 2.548 178.602 176.094 -0.067 0.000 1.063 376 V CA 2.704 64.970 62.300 -0.057 0.000 1.032 376 V CB -1.220 30.564 31.823 -0.064 0.000 0.645 376 V HN 0.935 nan 8.190 nan 0.000 0.446 377 E N -0.223 119.901 120.200 -0.127 0.000 2.371 377 E HA -0.051 4.292 4.350 -0.011 0.000 0.194 377 E C 2.081 178.540 176.600 -0.235 0.000 1.012 377 E CA 0.606 56.917 56.400 -0.148 0.000 0.860 377 E CB -0.229 29.391 29.700 -0.134 0.000 0.811 377 E HN 0.560 nan 8.360 nan 0.000 0.502 378 L N 0.020 121.024 121.223 -0.364 0.000 2.156 378 L HA 0.043 4.377 4.340 -0.011 0.000 0.208 378 L C -0.012 176.295 176.870 -0.939 0.000 1.095 378 L CA 0.694 55.096 54.840 -0.730 0.000 0.770 378 L CB 0.190 41.608 42.059 -1.068 0.000 0.914 378 L HN 0.118 nan 8.230 nan 0.000 0.439 379 F N -1.591 118.238 119.950 -0.202 0.000 2.745 379 F HA 0.334 4.855 4.527 -0.010 0.000 0.343 379 F C -2.018 173.646 175.800 -0.228 0.000 1.196 379 F CA -2.075 55.754 58.000 -0.284 0.000 1.021 379 F CB 0.497 39.162 39.000 -0.559 0.000 1.297 379 F HN -0.250 nan 8.300 nan 0.000 0.486 380 P HA -0.063 nan 4.420 nan 0.000 0.251 380 P C 0.783 177.989 177.300 -0.156 0.000 1.223 380 P CA 0.570 63.615 63.100 -0.091 0.000 0.796 380 P CB 0.482 32.116 31.700 -0.110 0.000 1.068 381 Q N -0.444 119.316 119.800 -0.066 0.000 2.297 381 Q HA -0.130 4.203 4.340 -0.011 0.000 0.204 381 Q C 1.577 177.753 176.000 0.294 0.000 0.962 381 Q CA 1.141 56.966 55.803 0.037 0.000 0.879 381 Q CB -1.260 27.524 28.738 0.078 0.000 0.947 381 Q HN 0.403 nan 8.270 nan 0.000 0.462 382 Y N 0.602 120.978 120.300 0.127 0.000 2.583 382 Y HA -0.052 4.491 4.550 -0.011 0.000 0.293 382 Y C -0.182 175.855 175.900 0.229 0.000 1.157 382 Y CA -0.050 58.147 58.100 0.160 0.000 1.315 382 Y CB -0.143 38.361 38.460 0.074 0.000 1.021 382 Y HN 0.297 nan 8.280 nan 0.000 0.536 383 H N -0.014 119.198 119.070 0.236 0.000 2.591 383 H HA -0.154 4.396 4.556 -0.010 0.000 0.325 383 H C -0.555 174.870 175.328 0.160 0.000 1.096 383 H CA 0.098 56.238 56.048 0.154 0.000 1.108 383 H CB -1.881 27.951 29.762 0.117 0.000 1.590 383 H HN 0.260 nan 8.280 nan 0.000 0.399 384 L N 0.176 121.536 121.223 0.228 0.000 2.439 384 L HA 0.418 4.751 4.340 -0.011 0.000 0.259 384 L C 0.914 177.896 176.870 0.187 0.000 1.129 384 L CA -0.406 54.578 54.840 0.241 0.000 0.803 384 L CB 1.137 43.349 42.059 0.254 0.000 1.161 384 L HN 0.443 nan 8.230 nan 0.000 0.462 385 E N 0.003 120.334 120.200 0.218 0.000 2.325 385 E HA 0.342 4.685 4.350 -0.011 0.000 0.248 385 E C 0.349 177.077 176.600 0.214 0.000 0.912 385 E CA -0.281 56.219 56.400 0.167 0.000 0.782 385 E CB 1.690 31.473 29.700 0.138 0.000 1.264 385 E HN 0.703 nan 8.360 nan 0.000 0.417 386 A N 4.047 126.954 122.820 0.145 0.000 1.923 386 A HA -0.317 3.996 4.320 -0.011 0.000 0.222 386 A C 1.990 179.710 177.584 0.226 0.000 1.258 386 A CA 2.544 54.664 52.037 0.139 0.000 0.670 386 A CB -1.511 17.529 19.000 0.067 0.000 0.834 386 A HN 0.849 nan 8.150 nan 0.000 0.470 387 G N -0.731 108.169 108.800 0.167 0.000 2.606 387 G HA2 -0.411 3.543 3.960 -0.011 0.000 0.221 387 G HA3 -0.411 3.543 3.960 -0.011 0.000 0.221 387 G C 1.807 176.815 174.900 0.181 0.000 1.152 387 G CA 3.150 48.342 45.100 0.153 0.000 0.765 387 G HN 1.106 nan 8.290 nan 0.000 0.595 388 T N -0.871 113.803 114.554 0.200 0.000 2.685 388 T HA -0.219 4.125 4.350 -0.011 0.000 0.268 388 T C 2.064 176.842 174.700 0.130 0.000 1.034 388 T CA 1.770 63.947 62.100 0.127 0.000 1.149 388 T CB -0.536 68.383 68.868 0.086 0.000 0.860 388 T HN 0.201 nan 8.240 nan 0.000 0.449 389 F N 1.820 121.838 119.950 0.113 0.000 2.558 389 F HA 0.518 5.039 4.527 -0.009 0.000 0.298 389 F C 2.769 178.593 175.800 0.039 0.000 1.119 389 F CA -0.130 57.904 58.000 0.057 0.000 1.451 389 F CB -0.750 38.228 39.000 -0.038 0.000 1.091 389 F HN 0.291 nan 8.300 nan 0.000 0.563 390 A N 0.050 123.011 122.820 0.235 0.000 2.014 390 A HA -0.044 4.270 4.320 -0.011 0.000 0.218 390 A C 2.212 179.845 177.584 0.083 0.000 1.163 390 A CA 1.198 53.322 52.037 0.145 0.000 0.652 390 A CB -0.729 18.352 19.000 0.135 0.000 0.808 390 A HN 0.389 nan 8.150 nan 0.000 0.449 391 I N -0.935 119.674 120.570 0.066 0.000 2.703 391 I HA -0.098 4.066 4.170 -0.011 0.000 0.259 391 I C 2.883 178.977 176.117 -0.038 0.000 1.151 391 I CA 0.712 62.018 61.300 0.010 0.000 1.470 391 I CB -0.296 37.704 38.000 0.000 0.000 1.112 391 I HN 0.345 nan 8.210 nan 0.000 0.437 392 A N 1.072 123.881 122.820 -0.018 0.000 1.865 392 A HA -0.175 4.139 4.320 -0.011 0.000 0.217 392 A C 2.249 179.735 177.584 -0.163 0.000 1.191 392 A CA 2.139 54.140 52.037 -0.061 0.000 0.623 392 A CB -1.350 17.707 19.000 0.095 0.000 0.826 392 A HN 0.443 nan 8.150 nan 0.000 0.444 393 G N -1.499 107.200 108.800 -0.168 0.000 2.985 393 G HA2 0.129 4.082 3.960 -0.011 0.000 0.209 393 G HA3 0.129 4.082 3.960 -0.011 0.000 0.209 393 G C 1.280 175.979 174.900 -0.336 0.000 1.165 393 G CA 0.602 45.440 45.100 -0.437 0.000 0.776 393 G HN 0.491 nan 8.290 nan 0.000 0.541 394 M N 0.740 120.253 119.600 -0.144 0.000 2.213 394 M HA 0.047 4.520 4.480 -0.011 0.000 0.263 394 M C 1.861 178.102 176.300 -0.098 0.000 1.062 394 M CA 1.638 56.901 55.300 -0.061 0.000 1.105 394 M CB 0.132 32.730 32.600 -0.002 0.000 1.385 394 M HN 0.162 nan 8.290 nan 0.000 0.417 395 G N -1.283 107.415 108.800 -0.169 0.000 3.805 395 G HA2 0.485 4.439 3.960 -0.011 0.000 0.290 395 G HA3 0.485 4.439 3.960 -0.011 0.000 0.290 395 G C 0.741 175.491 174.900 -0.249 0.000 1.077 395 G CA 0.339 45.342 45.100 -0.161 0.000 0.852 395 G HN 0.506 nan 8.290 nan 0.000 0.531 396 A N 0.019 122.574 122.820 -0.442 0.000 1.997 396 A HA 0.314 4.627 4.320 -0.011 0.000 0.212 396 A C 1.863 179.299 177.584 -0.246 0.000 1.178 396 A CA 0.331 51.996 52.037 -0.619 0.000 0.698 396 A CB -0.106 17.946 19.000 -1.579 0.000 0.842 396 A HN 0.358 nan 8.150 nan 0.000 0.458 397 L N -0.225 120.982 121.223 -0.027 0.000 2.478 397 L HA 0.164 4.497 4.340 -0.011 0.000 0.223 397 L C 1.654 178.499 176.870 -0.041 0.000 1.140 397 L CA 0.852 55.801 54.840 0.182 0.000 0.842 397 L CB -0.251 41.911 42.059 0.171 0.000 0.953 397 L HN 0.403 nan 8.230 nan 0.000 0.452 398 L N -0.466 120.682 121.223 -0.126 0.000 2.509 398 L HA 0.058 4.391 4.340 -0.011 0.000 0.222 398 L C 1.514 178.299 176.870 -0.140 0.000 1.123 398 L CA 0.479 55.200 54.840 -0.198 0.000 0.856 398 L CB 0.011 41.941 42.059 -0.214 0.000 0.985 398 L HN 0.224 nan 8.230 nan 0.000 0.456 399 A N -1.513 121.245 122.820 -0.104 0.000 2.637 399 A HA 0.625 4.938 4.320 -0.011 0.000 0.293 399 A C 1.024 178.582 177.584 -0.043 0.000 1.216 399 A CA 0.597 52.588 52.037 -0.077 0.000 0.956 399 A CB 0.131 19.075 19.000 -0.093 0.000 1.174 399 A HN 0.267 nan 8.150 nan 0.000 0.525 400 A N -1.845 120.964 122.820 -0.019 0.000 1.857 400 A HA 0.325 4.639 4.320 -0.011 0.000 0.198 400 A C 1.796 179.382 177.584 0.002 0.000 1.775 400 A CA 1.163 53.208 52.037 0.014 0.000 1.281 400 A CB -0.287 18.767 19.000 0.090 0.000 1.355 400 A HN 0.247 nan 8.150 nan 0.000 0.417 401 S N -0.605 115.090 115.700 -0.009 0.000 2.404 401 S HA 0.208 4.671 4.470 -0.011 0.000 0.223 401 S C 1.447 176.026 174.600 -0.035 0.000 1.040 401 S CA 1.125 59.321 58.200 -0.008 0.000 0.957 401 S CB 0.029 63.232 63.200 0.005 0.000 0.826 401 S HN 0.488 nan 8.310 nan 0.000 0.491 402 I N 0.998 121.521 120.570 -0.079 0.000 4.018 402 I HA 0.251 4.415 4.170 -0.011 0.000 0.337 402 I C -0.482 175.622 176.117 -0.021 0.000 1.327 402 I CA -0.077 61.184 61.300 -0.066 0.000 1.100 402 I CB -0.002 37.892 38.000 -0.178 0.000 1.025 402 I HN 0.060 nan 8.210 nan 0.000 0.396 403 R N 1.417 121.899 120.500 -0.030 0.000 3.118 403 R HA -0.208 4.125 4.340 -0.011 0.000 0.238 403 R C 0.137 176.431 176.300 -0.010 0.000 0.884 403 R CA 0.527 56.614 56.100 -0.022 0.000 0.601 403 R CB -1.882 28.409 30.300 -0.015 0.000 1.009 403 R HN 0.440 nan 8.270 nan 0.000 0.478 404 A N -0.463 122.355 122.820 -0.004 0.000 3.297 404 A HA 0.418 4.731 4.320 -0.011 0.000 0.304 404 A C -1.659 175.930 177.584 0.007 0.000 0.963 404 A CA -1.274 50.779 52.037 0.027 0.000 0.935 404 A CB 0.691 19.758 19.000 0.112 0.000 1.093 404 A HN 0.021 nan 8.150 nan 0.000 0.480 405 P HA -0.255 nan 4.420 nan 0.000 0.219 405 P C 1.623 178.906 177.300 -0.029 0.000 1.161 405 P CA 1.110 64.186 63.100 -0.040 0.000 0.909 405 P CB 0.262 31.934 31.700 -0.047 0.000 0.793 406 L N -1.182 120.033 121.223 -0.013 0.000 1.994 406 L HA -0.141 4.192 4.340 -0.011 0.000 0.208 406 L C 2.281 179.155 176.870 0.005 0.000 1.071 406 L CA 2.183 57.019 54.840 -0.007 0.000 0.745 406 L CB -1.645 40.414 42.059 -0.002 0.000 0.892 406 L HN -0.030 nan 8.230 nan 0.000 0.431 407 T N -0.796 113.782 114.554 0.041 0.000 2.759 407 T HA -0.126 4.218 4.350 -0.011 0.000 0.269 407 T C 1.589 176.296 174.700 0.013 0.000 1.042 407 T CA 1.183 63.322 62.100 0.065 0.000 1.140 407 T CB -0.665 68.324 68.868 0.201 0.000 0.864 407 T HN 0.602 nan 8.240 nan 0.000 0.455 408 G N 2.028 110.830 108.800 0.002 0.000 2.505 408 G HA2 -0.116 3.838 3.960 -0.011 0.000 0.214 408 G HA3 -0.116 3.838 3.960 -0.011 0.000 0.214 408 G C 1.400 176.267 174.900 -0.054 0.000 1.237 408 G CA 0.464 45.542 45.100 -0.036 0.000 0.802 408 G HN 0.347 nan 8.290 nan 0.000 0.549 409 I N 1.439 121.974 120.570 -0.057 0.000 2.147 409 I HA -0.223 3.940 4.170 -0.011 0.000 0.245 409 I C 2.745 178.836 176.117 -0.044 0.000 1.059 409 I CA 1.190 62.455 61.300 -0.058 0.000 1.320 409 I CB -1.075 36.893 38.000 -0.053 0.000 1.021 409 I HN 0.202 nan 8.210 nan 0.000 0.415 410 I N -0.531 120.016 120.570 -0.038 0.000 2.617 410 I HA -0.212 3.951 4.170 -0.011 0.000 0.256 410 I C 2.410 178.491 176.117 -0.060 0.000 1.167 410 I CA 0.386 61.663 61.300 -0.038 0.000 1.469 410 I CB -0.123 37.857 38.000 -0.034 0.000 1.098 410 I HN 0.181 nan 8.210 nan 0.000 0.436 411 L N 0.378 121.549 121.223 -0.087 0.000 2.093 411 L HA -0.128 4.205 4.340 -0.011 0.000 0.208 411 L C 2.311 179.130 176.870 -0.084 0.000 1.085 411 L CA 1.702 56.457 54.840 -0.141 0.000 0.755 411 L CB -0.305 41.613 42.059 -0.236 0.000 0.904 411 L HN -0.064 nan 8.230 nan 0.000 0.435 412 V N -0.309 119.573 119.914 -0.053 0.000 2.223 412 V HA -0.317 3.796 4.120 -0.011 0.000 0.244 412 V C 2.468 178.553 176.094 -0.016 0.000 1.045 412 V CA 2.056 64.342 62.300 -0.024 0.000 1.000 412 V CB -0.682 31.122 31.823 -0.032 0.000 0.635 412 V HN 0.537 nan 8.190 nan 0.000 0.445 413 L N -0.147 121.067 121.223 -0.015 0.000 2.137 413 L HA -0.255 4.078 4.340 -0.011 0.000 0.213 413 L C 2.697 179.566 176.870 -0.003 0.000 1.085 413 L CA 1.792 56.636 54.840 0.007 0.000 0.760 413 L CB -0.392 41.686 42.059 0.032 0.000 0.893 413 L HN 0.427 nan 8.230 nan 0.000 0.434 414 E N 0.292 120.480 120.200 -0.021 0.000 2.110 414 E HA -0.213 4.130 4.350 -0.011 0.000 0.193 414 E C 1.511 178.105 176.600 -0.010 0.000 0.988 414 E CA 1.790 58.174 56.400 -0.025 0.000 0.804 414 E CB -0.058 29.614 29.700 -0.047 0.000 0.745 414 E HN 0.716 nan 8.360 nan 0.000 0.458 415 M N -1.641 117.957 119.600 -0.003 0.000 2.911 415 M HA 0.288 4.761 4.480 -0.011 0.000 0.381 415 M C 0.422 176.715 176.300 -0.012 0.000 1.287 415 M CA -0.002 55.296 55.300 -0.003 0.000 0.858 415 M CB 0.764 33.371 32.600 0.013 0.000 1.385 415 M HN -0.121 nan 8.290 nan 0.000 0.504 416 T N -5.814 108.738 114.554 -0.004 0.000 3.416 416 T HA 0.080 4.423 4.350 -0.011 0.000 0.298 416 T C 0.357 175.060 174.700 0.006 0.000 0.874 416 T CA 0.209 62.308 62.100 -0.003 0.000 0.901 416 T CB -0.143 68.725 68.868 0.000 0.000 1.215 416 T HN 0.342 nan 8.240 nan 0.000 0.677 417 D N 1.983 122.390 120.400 0.011 0.000 2.733 417 D HA -0.166 4.467 4.640 -0.011 0.000 0.232 417 D C -0.283 176.038 176.300 0.035 0.000 1.161 417 D CA 0.669 54.683 54.000 0.024 0.000 0.653 417 D CB -1.684 39.127 40.800 0.017 0.000 1.052 417 D HN 0.734 nan 8.370 nan 0.000 0.424 418 N N 0.269 118.986 118.700 0.029 0.000 2.761 418 N HA -0.007 4.727 4.740 -0.011 0.000 0.317 418 N C 0.649 176.165 175.510 0.009 0.000 1.546 418 N CA -0.383 52.674 53.050 0.012 0.000 1.015 418 N CB 0.146 38.621 38.487 -0.019 0.000 1.343 418 N HN 0.219 nan 8.380 nan 0.000 0.504 419 Y N 2.047 122.315 120.300 -0.053 0.000 2.723 419 Y HA -0.215 4.329 4.550 -0.011 0.000 0.286 419 Y C 1.422 177.278 175.900 -0.073 0.000 1.159 419 Y CA 1.504 59.567 58.100 -0.062 0.000 1.442 419 Y CB 0.035 38.466 38.460 -0.049 0.000 0.959 419 Y HN 0.322 nan 8.280 nan 0.000 0.581 420 Q N -0.621 119.021 119.800 -0.263 0.000 2.360 420 Q HA 0.207 4.540 4.340 -0.011 0.000 0.202 420 Q C 0.581 176.381 176.000 -0.334 0.000 0.915 420 Q CA 0.698 56.304 55.803 -0.329 0.000 0.943 420 Q CB -0.136 28.502 28.738 -0.165 0.000 1.064 420 Q HN 0.538 nan 8.270 nan 0.000 0.511 421 L N -0.411 120.621 121.223 -0.319 0.000 3.122 421 L HA 0.303 4.637 4.340 -0.011 0.000 0.274 421 L C 0.790 177.459 176.870 -0.335 0.000 1.222 421 L CA -0.192 54.452 54.840 -0.327 0.000 1.028 421 L CB 0.333 42.248 42.059 -0.240 0.000 1.386 421 L HN 0.152 nan 8.230 nan 0.000 0.578 422 I N 0.156 120.500 120.570 -0.377 0.000 2.546 422 I HA -0.196 3.967 4.170 -0.011 0.000 0.255 422 I C 1.956 177.921 176.117 -0.252 0.000 1.163 422 I CA 1.356 62.493 61.300 -0.271 0.000 1.457 422 I CB 0.161 37.995 38.000 -0.276 0.000 1.092 422 I HN 0.240 nan 8.210 nan 0.000 0.434 423 L N 1.146 122.180 121.223 -0.316 0.000 2.007 423 L HA 0.036 4.369 4.340 -0.011 0.000 0.205 423 L C -0.542 176.143 176.870 -0.308 0.000 1.073 423 L CA 1.950 56.633 54.840 -0.261 0.000 0.744 423 L CB -1.693 40.212 42.059 -0.258 0.000 0.898 423 L HN 0.084 nan 8.230 nan 0.000 0.435 424 P HA -0.166 nan 4.420 nan 0.000 0.215 424 P C 1.946 178.995 177.300 -0.418 0.000 1.157 424 P CA 1.806 64.506 63.100 -0.666 0.000 0.868 424 P CB -0.118 30.786 31.700 -1.326 0.000 0.788 425 M N -1.969 117.428 119.600 -0.339 0.000 2.337 425 M HA -0.162 4.311 4.480 -0.011 0.000 0.261 425 M C 1.798 177.996 176.300 -0.170 0.000 1.067 425 M CA 1.588 56.756 55.300 -0.220 0.000 1.074 425 M CB -0.679 31.817 32.600 -0.174 0.000 1.395 425 M HN -0.009 nan 8.290 nan 0.000 0.431 426 I N -0.321 120.152 120.570 -0.162 0.000 2.429 426 I HA -0.152 4.011 4.170 -0.011 0.000 0.247 426 I C 2.053 178.106 176.117 -0.105 0.000 1.099 426 I CA 0.804 62.035 61.300 -0.115 0.000 1.422 426 I CB -0.164 37.779 38.000 -0.095 0.000 1.112 426 I HN 0.164 nan 8.210 nan 0.000 0.430 427 I N 0.631 121.130 120.570 -0.119 0.000 2.657 427 I HA -0.229 3.935 4.170 -0.011 0.000 0.261 427 I C 2.113 178.195 176.117 -0.058 0.000 1.212 427 I CA 1.204 62.457 61.300 -0.078 0.000 1.453 427 I CB -0.565 37.383 38.000 -0.087 0.000 1.092 427 I HN 0.265 nan 8.210 nan 0.000 0.452 428 T N -0.152 114.346 114.554 -0.093 0.000 3.021 428 T HA 0.068 4.411 4.350 -0.011 0.000 0.245 428 T C 1.841 176.466 174.700 -0.125 0.000 1.028 428 T CA 0.942 62.986 62.100 -0.093 0.000 1.139 428 T CB -0.076 68.722 68.868 -0.117 0.000 0.884 428 T HN 0.477 nan 8.240 nan 0.000 0.457 429 G N 0.879 109.597 108.800 -0.137 0.000 2.776 429 G HA2 0.051 4.005 3.960 -0.011 0.000 0.209 429 G HA3 0.051 4.005 3.960 -0.011 0.000 0.209 429 G C 1.366 176.211 174.900 -0.091 0.000 1.145 429 G CA 0.328 45.348 45.100 -0.132 0.000 0.791 429 G HN 0.381 nan 8.290 nan 0.000 0.530 430 L N 0.079 121.258 121.223 -0.073 0.000 2.269 430 L HA 0.411 4.745 4.340 -0.011 0.000 0.200 430 L C 2.652 179.491 176.870 -0.051 0.000 1.069 430 L CA 1.725 56.530 54.840 -0.058 0.000 0.804 430 L CB -0.549 41.484 42.059 -0.044 0.000 0.987 430 L HN 0.046 nan 8.230 nan 0.000 0.468 431 G N -0.386 108.395 108.800 -0.031 0.000 2.432 431 G HA2 -0.222 3.732 3.960 -0.011 0.000 0.219 431 G HA3 -0.222 3.732 3.960 -0.011 0.000 0.219 431 G C 1.479 176.374 174.900 -0.009 0.000 1.135 431 G CA 0.858 45.954 45.100 -0.006 0.000 0.767 431 G HN 0.617 nan 8.290 nan 0.000 0.550 432 A N 1.265 124.071 122.820 -0.024 0.000 1.844 432 A HA -0.148 4.166 4.320 -0.011 0.000 0.214 432 A C 2.716 180.288 177.584 -0.019 0.000 1.217 432 A CA 3.529 55.566 52.037 -0.000 0.000 0.644 432 A CB -1.549 17.418 19.000 -0.055 0.000 0.850 432 A HN 0.583 nan 8.150 nan 0.000 0.456 433 T N -1.269 113.253 114.554 -0.054 0.000 2.685 433 T HA -0.199 4.145 4.350 -0.011 0.000 0.268 433 T C 1.749 176.360 174.700 -0.148 0.000 1.034 433 T CA 1.545 63.596 62.100 -0.081 0.000 1.149 433 T CB -0.585 68.233 68.868 -0.084 0.000 0.860 433 T HN 0.154 nan 8.240 nan 0.000 0.449 434 L N 0.182 121.300 121.223 -0.176 0.000 2.081 434 L HA -0.023 4.311 4.340 -0.011 0.000 0.212 434 L C 2.373 178.993 176.870 -0.416 0.000 1.080 434 L CA 1.640 56.276 54.840 -0.340 0.000 0.754 434 L CB -1.067 40.860 42.059 -0.221 0.000 0.893 434 L HN 0.360 nan 8.230 nan 0.000 0.433 435 L N -1.424 119.704 121.223 -0.158 0.000 2.477 435 L HA 0.091 4.424 4.340 -0.011 0.000 0.220 435 L C 2.423 179.270 176.870 -0.037 0.000 1.106 435 L CA 1.002 55.812 54.840 -0.051 0.000 0.851 435 L CB -1.247 40.844 42.059 0.054 0.000 0.994 435 L HN 0.162 nan 8.230 nan 0.000 0.462 436 A N -1.028 121.756 122.820 -0.059 0.000 2.209 436 A HA -0.141 4.172 4.320 -0.011 0.000 0.212 436 A C 2.176 179.728 177.584 -0.055 0.000 1.158 436 A CA 0.893 52.910 52.037 -0.033 0.000 0.742 436 A CB -0.114 18.871 19.000 -0.025 0.000 0.790 436 A HN 0.443 nan 8.150 nan 0.000 0.472 437 Q N -1.198 118.521 119.800 -0.136 0.000 2.252 437 Q HA 0.043 4.377 4.340 -0.011 0.000 0.195 437 Q C 0.793 176.796 176.000 0.004 0.000 0.974 437 Q CA 0.486 56.208 55.803 -0.135 0.000 0.846 437 Q CB -0.053 28.493 28.738 -0.319 0.000 0.943 437 Q HN 0.537 nan 8.270 nan 0.000 0.516 438 F N 1.730 121.699 119.950 0.031 0.000 2.724 438 F HA -0.016 4.505 4.527 -0.011 0.000 0.297 438 F C 0.948 176.766 175.800 0.030 0.000 1.200 438 F CA 1.028 59.046 58.000 0.030 0.000 1.468 438 F CB -0.593 38.427 39.000 0.033 0.000 1.116 438 F HN 0.051 nan 8.300 nan 0.000 0.599 439 T N -2.436 112.218 114.554 0.166 0.000 3.583 439 T HA 0.576 4.919 4.350 -0.011 0.000 0.266 439 T C 0.711 175.449 174.700 0.064 0.000 1.296 439 T CA -0.189 61.975 62.100 0.107 0.000 1.668 439 T CB 0.189 69.110 68.868 0.089 0.000 0.832 439 T HN 0.468 nan 8.240 nan 0.000 0.649 440 G N 1.865 110.706 108.800 0.068 0.000 2.651 440 G HA2 0.200 4.153 3.960 -0.011 0.000 0.315 440 G HA3 0.200 4.153 3.960 -0.011 0.000 0.315 440 G C 0.748 175.665 174.900 0.027 0.000 1.258 440 G CA 0.625 45.751 45.100 0.044 0.000 1.002 440 G HN 2.481 nan 8.290 nan 0.000 0.551 441 G N -1.434 107.371 108.800 0.010 0.000 2.880 441 G HA2 0.297 4.250 3.960 -0.011 0.000 0.686 441 G HA3 0.297 4.250 3.960 -0.011 0.000 0.686 441 G C -0.381 174.524 174.900 0.008 0.000 1.505 441 G CA 1.236 46.334 45.100 -0.003 0.000 1.057 441 G HN 1.498 nan 8.290 nan 0.000 0.599 442 K N 1.594 121.999 120.400 0.008 0.000 2.615 442 K HA 0.433 4.746 4.320 -0.011 0.000 0.291 442 K C -3.032 173.582 176.600 0.022 0.000 1.017 442 K CA -1.892 54.408 56.287 0.022 0.000 0.882 442 K CB 2.189 34.709 32.500 0.034 0.000 1.522 442 K HN 0.260 nan 8.250 nan 0.000 0.412 443 P HA -0.077 nan 4.420 nan 0.000 0.252 443 P C 0.728 178.054 177.300 0.044 0.000 1.183 443 P CA 0.088 63.210 63.100 0.037 0.000 0.973 443 P CB 0.117 31.848 31.700 0.052 0.000 0.990 444 L N 3.473 124.715 121.223 0.030 0.000 2.270 444 L HA -0.256 4.077 4.340 -0.011 0.000 0.217 444 L C 1.573 178.484 176.870 0.068 0.000 1.107 444 L CA 2.374 57.238 54.840 0.039 0.000 0.772 444 L CB -1.156 40.915 42.059 0.020 0.000 0.902 444 L HN 0.255 nan 8.230 nan 0.000 0.439 445 A N -1.318 121.545 122.820 0.072 0.000 1.898 445 A HA -0.102 4.212 4.320 -0.011 0.000 0.214 445 A C 2.392 180.040 177.584 0.106 0.000 1.183 445 A CA 1.487 53.588 52.037 0.108 0.000 0.622 445 A CB -0.477 18.600 19.000 0.129 0.000 0.824 445 A HN 0.512 nan 8.150 nan 0.000 0.444 446 S N -0.168 115.586 115.700 0.090 0.000 2.362 446 S HA 0.093 4.557 4.470 -0.011 0.000 0.221 446 S C 2.363 177.011 174.600 0.079 0.000 1.032 446 S CA 0.897 59.151 58.200 0.090 0.000 0.973 446 S CB -0.464 62.797 63.200 0.102 0.000 0.849 446 S HN 0.764 nan 8.310 nan 0.000 0.465 447 A N 1.939 124.802 122.820 0.070 0.000 1.903 447 A HA -0.171 4.142 4.320 -0.011 0.000 0.219 447 A C 2.044 179.666 177.584 0.063 0.000 1.191 447 A CA 1.563 53.635 52.037 0.059 0.000 0.638 447 A CB -0.925 18.106 19.000 0.051 0.000 0.823 447 A HN 0.490 nan 8.150 nan 0.000 0.451 448 I N -1.136 119.483 120.570 0.082 0.000 2.179 448 I HA -0.247 3.917 4.170 -0.011 0.000 0.242 448 I C 2.481 178.641 176.117 0.072 0.000 1.088 448 I CA 1.489 62.842 61.300 0.088 0.000 1.357 448 I CB -0.387 37.691 38.000 0.130 0.000 1.051 448 I HN 0.441 nan 8.210 nan 0.000 0.409 449 L N 1.391 122.658 121.223 0.074 0.000 1.990 449 L HA -0.234 4.100 4.340 -0.011 0.000 0.213 449 L C 2.638 179.535 176.870 0.046 0.000 1.072 449 L CA 2.335 57.211 54.840 0.061 0.000 0.755 449 L CB -0.924 41.173 42.059 0.063 0.000 0.889 449 L HN 0.221 nan 8.230 nan 0.000 0.432 450 A N -0.244 122.602 122.820 0.044 0.000 1.869 450 A HA -0.284 4.030 4.320 -0.011 0.000 0.218 450 A C 2.375 179.973 177.584 0.023 0.000 1.203 450 A CA 2.291 54.345 52.037 0.029 0.000 0.638 450 A CB -0.712 18.305 19.000 0.027 0.000 0.831 450 A HN 0.531 nan 8.150 nan 0.000 0.450 451 R N -1.024 119.492 120.500 0.027 0.000 2.097 451 R HA -0.123 4.210 4.340 -0.011 0.000 0.236 451 R C 2.177 178.487 176.300 0.016 0.000 1.135 451 R CA 2.009 58.120 56.100 0.018 0.000 0.934 451 R CB -1.573 28.740 30.300 0.022 0.000 0.846 451 R HN 0.574 nan 8.270 nan 0.000 0.431 452 T N 1.605 116.174 114.554 0.025 0.000 2.977 452 T HA -0.079 4.265 4.350 -0.011 0.000 0.271 452 T C 1.619 176.332 174.700 0.023 0.000 1.105 452 T CA 0.687 62.803 62.100 0.025 0.000 1.116 452 T CB -0.049 68.841 68.868 0.037 0.000 0.878 452 T HN 0.017 nan 8.240 nan 0.000 0.509 453 L N 0.042 121.278 121.223 0.022 0.000 2.463 453 L HA 0.503 4.837 4.340 -0.011 0.000 0.219 453 L C 2.197 179.074 176.870 0.012 0.000 1.088 453 L CA 0.477 55.328 54.840 0.019 0.000 0.849 453 L CB -0.262 41.809 42.059 0.020 0.000 1.012 453 L HN 0.148 nan 8.230 nan 0.000 0.468 454 A N -1.300 121.525 122.820 0.009 0.000 2.147 454 A HA -0.008 4.305 4.320 -0.011 0.000 0.211 454 A C 2.188 179.773 177.584 0.002 0.000 1.160 454 A CA 0.616 52.655 52.037 0.004 0.000 0.781 454 A CB -0.203 18.797 19.000 0.001 0.000 0.842 454 A HN 0.304 nan 8.150 nan 0.000 0.475 455 K N -0.414 119.987 120.400 0.002 0.000 2.361 455 K HA 0.023 4.336 4.320 -0.011 0.000 0.196 455 K C 1.960 178.562 176.600 0.004 0.000 1.039 455 K CA 0.707 56.992 56.287 -0.003 0.000 1.001 455 K CB -0.051 32.443 32.500 -0.010 0.000 0.795 455 K HN 0.569 nan 8.250 nan 0.000 0.495 456 Q N 1.102 120.908 119.800 0.009 0.000 1.965 456 Q HA -0.157 4.176 4.340 -0.011 0.000 0.200 456 Q C 0.771 176.778 176.000 0.011 0.000 0.981 456 Q CA 1.648 57.459 55.803 0.014 0.000 0.834 456 Q CB 0.019 28.767 28.738 0.017 0.000 0.900 456 Q HN 0.479 nan 8.270 nan 0.000 0.426 457 E N -1.408 118.798 120.200 0.009 0.000 4.126 457 E HA 0.309 4.653 4.350 -0.011 0.000 0.314 457 E C 0.458 177.061 176.600 0.005 0.000 1.438 457 E CA 0.209 56.613 56.400 0.008 0.000 1.682 457 E CB 0.045 29.749 29.700 0.006 0.000 1.454 457 E HN 0.267 nan 8.360 nan 0.000 0.810 458 A N -0.397 122.425 122.820 0.003 0.000 2.822 458 A HA -0.325 3.988 4.320 -0.011 0.000 0.279 458 A C 0.814 178.398 177.584 0.001 0.000 1.356 458 A CA 1.963 54.001 52.037 0.001 0.000 0.961 458 A CB -2.138 16.861 19.000 -0.001 0.000 0.977 458 A HN 0.648 nan 8.150 nan 0.000 0.650 459 E N -0.332 119.870 120.200 0.003 0.000 3.659 459 E HA 0.344 4.687 4.350 -0.011 0.000 0.217 459 E C 0.033 176.637 176.600 0.006 0.000 1.141 459 E CA 0.188 56.591 56.400 0.004 0.000 1.340 459 E CB -0.132 29.572 29.700 0.006 0.000 1.295 459 E HN 0.759 nan 8.360 nan 0.000 0.434 460 Q N 0.000 119.803 119.800 0.005 0.000 2.315 460 Q HA 0.000 4.334 4.340 -0.011 0.000 0.214 460 Q CA 0.000 55.806 55.803 0.005 0.000 1.022 460 Q CB 0.000 28.742 28.738 0.007 0.000 1.108 460 Q HN 0.000 nan 8.270 nan 0.000 0.481