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 1ott_1_A DATA FIRST_RESID 17 DATA SEQUENCE RRRQLIRQLL ERDKTPLAIL FMAAVVGTLV GLAAVAFDKG VAWLQNQRMG DATA SEQUENCE ALVHTADNYP LLLTVAFLCS AVLAMFGYFL VRKYAPEAGG SGIPEIEGAL DATA SEQUENCE EDQRPVRWWR VLPVKFFGGL GTLGGGMVLG RAGPTVQIGG 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 QFTGGKPLYS 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 0.000 176.291 176.300 -0.015 0.000 0.893 17 R CA 0.000 56.092 56.100 -0.014 0.000 0.921 17 R CB 0.000 30.291 30.300 -0.015 0.000 0.687 18 R N 1.408 121.901 120.500 -0.013 0.000 2.276 18 R HA -0.159 4.177 4.340 -0.007 0.000 0.243 18 R C 1.680 177.972 176.300 -0.013 0.000 1.161 18 R CA 1.935 58.028 56.100 -0.012 0.000 1.007 18 R CB -0.073 30.221 30.300 -0.009 0.000 0.867 18 R HN 0.018 nan 8.270 nan 0.000 0.472 19 R N 1.035 121.527 120.500 -0.012 0.000 2.073 19 R HA -0.155 4.181 4.340 -0.007 0.000 0.234 19 R C 2.248 178.539 176.300 -0.015 0.000 1.134 19 R CA 2.202 58.294 56.100 -0.012 0.000 0.952 19 R CB -0.541 29.753 30.300 -0.011 0.000 0.850 19 R HN 0.418 nan 8.270 nan 0.000 0.433 20 Q N -0.113 119.677 119.800 -0.018 0.000 2.016 20 Q HA -0.146 4.190 4.340 -0.007 0.000 0.200 20 Q C 2.123 178.107 176.000 -0.025 0.000 0.978 20 Q CA 1.650 57.439 55.803 -0.023 0.000 0.833 20 Q CB -0.257 28.464 28.738 -0.028 0.000 0.895 20 Q HN 0.490 nan 8.270 nan 0.000 0.427 21 L N 0.774 121.981 121.223 -0.026 0.000 1.963 21 L HA -0.272 4.065 4.340 -0.007 0.000 0.220 21 L C 2.465 179.323 176.870 -0.020 0.000 1.076 21 L CA 1.778 56.602 54.840 -0.026 0.000 0.772 21 L CB -0.480 41.565 42.059 -0.023 0.000 0.892 21 L HN 0.406 nan 8.230 nan 0.000 0.435 22 I N -0.542 120.018 120.570 -0.015 0.000 2.367 22 I HA -0.397 3.769 4.170 -0.007 0.000 0.256 22 I C 2.538 178.647 176.117 -0.012 0.000 1.132 22 I CA 1.388 62.681 61.300 -0.012 0.000 1.397 22 I CB -0.387 37.607 38.000 -0.010 0.000 1.074 22 I HN 0.345 nan 8.210 nan 0.000 0.435 23 R N -0.234 120.258 120.500 -0.014 0.000 2.210 23 R HA -0.010 4.327 4.340 -0.007 0.000 0.203 23 R C 2.151 178.443 176.300 -0.014 0.000 1.010 23 R CA 0.445 56.537 56.100 -0.013 0.000 1.008 23 R CB 0.068 30.359 30.300 -0.014 0.000 0.923 23 R HN 0.496 nan 8.270 nan 0.000 0.469 24 Q N 0.303 120.092 119.800 -0.019 0.000 2.123 24 Q HA -0.001 4.335 4.340 -0.007 0.000 0.196 24 Q C 2.114 178.107 176.000 -0.012 0.000 0.958 24 Q CA 0.791 56.582 55.803 -0.020 0.000 0.841 24 Q CB 0.164 28.881 28.738 -0.034 0.000 0.915 24 Q HN 0.277 nan 8.270 nan 0.000 0.455 25 L N 0.622 121.838 121.223 -0.012 0.000 1.970 25 L HA -0.227 4.109 4.340 -0.007 0.000 0.212 25 L C 2.142 179.008 176.870 -0.006 0.000 1.071 25 L CA 1.219 56.054 54.840 -0.007 0.000 0.751 25 L CB -0.469 41.585 42.059 -0.008 0.000 0.889 25 L HN 0.263 nan 8.230 nan 0.000 0.432 26 L N -0.451 120.768 121.223 -0.008 0.000 2.642 26 L HA -0.142 4.194 4.340 -0.007 0.000 0.236 26 L C 1.495 178.361 176.870 -0.006 0.000 1.169 26 L CA 0.461 55.296 54.840 -0.007 0.000 0.851 26 L CB -0.328 41.726 42.059 -0.008 0.000 0.968 26 L HN 0.297 nan 8.230 nan 0.000 0.453 27 E N -0.519 119.678 120.200 -0.005 0.000 2.583 27 E HA 0.172 4.518 4.350 -0.007 0.000 0.213 27 E C 0.296 176.897 176.600 0.002 0.000 0.989 27 E CA -0.081 56.318 56.400 -0.002 0.000 0.991 27 E CB 0.420 30.118 29.700 -0.003 0.000 1.040 27 E HN 0.339 nan 8.360 nan 0.000 0.481 28 R N 1.604 122.106 120.500 0.003 0.000 2.734 28 R HA -0.011 4.325 4.340 -0.007 0.000 0.266 28 R C -0.120 176.182 176.300 0.003 0.000 1.044 28 R CA 0.053 56.158 56.100 0.008 0.000 1.128 28 R CB 0.182 30.485 30.300 0.006 0.000 1.010 28 R HN -0.094 nan 8.270 nan 0.000 0.461 29 D N 1.700 122.103 120.400 0.006 0.000 3.038 29 D HA -0.166 4.470 4.640 -0.007 0.000 0.229 29 D C -1.223 175.075 176.300 -0.004 0.000 1.182 29 D CA 1.235 55.233 54.000 -0.004 0.000 0.852 29 D CB -0.357 40.431 40.800 -0.018 0.000 0.932 29 D HN 0.436 nan 8.370 nan 0.000 0.406 30 K N 1.373 121.774 120.400 0.003 0.000 2.827 30 K HA 0.227 4.543 4.320 -0.007 0.000 0.186 30 K C -0.672 175.932 176.600 0.007 0.000 1.093 30 K CA -0.570 55.718 56.287 0.002 0.000 0.993 30 K CB 1.116 33.618 32.500 0.002 0.000 1.199 30 K HN 0.044 nan 8.250 nan 0.000 0.598 31 T N 2.525 117.082 114.554 0.006 0.000 2.743 31 T HA 0.221 4.567 4.350 -0.007 0.000 0.293 31 T C -2.364 172.344 174.700 0.013 0.000 0.945 31 T CA -1.634 60.473 62.100 0.012 0.000 1.030 31 T CB 0.723 69.599 68.868 0.012 0.000 0.912 31 T HN 0.115 nan 8.240 nan 0.000 0.483 32 P HA -0.004 nan 4.420 nan 0.000 0.257 32 P C 1.049 178.361 177.300 0.020 0.000 1.162 32 P CA -0.064 63.043 63.100 0.013 0.000 0.762 32 P CB 0.364 32.072 31.700 0.013 0.000 0.753 33 L N 3.999 125.229 121.223 0.013 0.000 2.129 33 L HA -0.276 4.060 4.340 -0.007 0.000 0.212 33 L C 1.935 178.830 176.870 0.042 0.000 1.087 33 L CA 2.124 56.977 54.840 0.022 0.000 0.757 33 L CB -0.463 41.594 42.059 -0.004 0.000 0.896 33 L HN 0.412 nan 8.230 nan 0.000 0.434 34 A N 0.073 122.905 122.820 0.020 0.000 1.898 34 A HA -0.167 4.149 4.320 -0.007 0.000 0.216 34 A C 2.156 179.791 177.584 0.084 0.000 1.181 34 A CA 1.788 53.843 52.037 0.031 0.000 0.620 34 A CB -0.687 18.314 19.000 0.002 0.000 0.819 34 A HN 0.510 nan 8.150 nan 0.000 0.442 35 I N -0.148 120.459 120.570 0.061 0.000 2.076 35 I HA -0.299 3.867 4.170 -0.007 0.000 0.237 35 I C 2.457 178.617 176.117 0.073 0.000 1.059 35 I CA 1.501 62.838 61.300 0.061 0.000 1.317 35 I CB -0.444 37.580 38.000 0.041 0.000 1.037 35 I HN 0.334 nan 8.210 nan 0.000 0.398 36 L N -0.168 121.097 121.223 0.070 0.000 1.991 36 L HA -0.329 4.007 4.340 -0.007 0.000 0.221 36 L C 2.639 179.558 176.870 0.081 0.000 1.079 36 L CA 1.827 56.707 54.840 0.067 0.000 0.778 36 L CB -0.996 41.103 42.059 0.066 0.000 0.893 36 L HN 0.241 nan 8.230 nan 0.000 0.437 37 F N -0.051 119.884 119.950 -0.025 0.000 2.236 37 F HA -0.265 4.258 4.527 -0.006 0.000 0.302 37 F C 2.409 178.184 175.800 -0.043 0.000 1.073 37 F CA 1.427 59.403 58.000 -0.039 0.000 1.336 37 F CB -0.011 38.950 39.000 -0.064 0.000 1.040 37 F HN 0.032 nan 8.300 nan 0.000 0.507 38 M N -0.227 119.385 119.600 0.019 0.000 2.388 38 M HA 0.117 4.593 4.480 -0.007 0.000 0.265 38 M C 2.426 178.681 176.300 -0.074 0.000 1.088 38 M CA 1.122 56.395 55.300 -0.044 0.000 1.134 38 M CB -1.881 30.767 32.600 0.080 0.000 1.384 38 M HN 0.242 nan 8.290 nan 0.000 0.447 39 A N 0.107 122.898 122.820 -0.047 0.000 2.121 39 A HA 0.149 4.465 4.320 -0.007 0.000 0.218 39 A C 2.370 179.904 177.584 -0.082 0.000 1.154 39 A CA 1.575 53.588 52.037 -0.039 0.000 0.679 39 A CB -0.583 18.415 19.000 -0.003 0.000 0.795 39 A HN 0.428 nan 8.150 nan 0.000 0.458 40 A N -0.440 122.283 122.820 -0.161 0.000 1.874 40 A HA 0.085 4.401 4.320 -0.007 0.000 0.214 40 A C 2.139 179.593 177.584 -0.218 0.000 1.189 40 A CA 1.502 53.417 52.037 -0.203 0.000 0.615 40 A CB -0.821 17.985 19.000 -0.324 0.000 0.830 40 A HN 0.374 nan 8.150 nan 0.000 0.443 41 V N -0.128 119.611 119.914 -0.291 0.000 2.343 41 V HA -0.224 3.892 4.120 -0.007 0.000 0.247 41 V C 2.517 178.550 176.094 -0.102 0.000 1.051 41 V CA 1.867 64.050 62.300 -0.195 0.000 1.036 41 V CB -1.040 30.692 31.823 -0.152 0.000 0.654 41 V HN 0.339 nan 8.190 nan 0.000 0.451 42 V N 1.226 121.089 119.914 -0.085 0.000 2.214 42 V HA -0.211 3.905 4.120 -0.007 0.000 0.245 42 V C 2.769 178.821 176.094 -0.070 0.000 1.047 42 V CA 2.471 64.730 62.300 -0.068 0.000 0.998 42 V CB -1.674 30.117 31.823 -0.053 0.000 0.633 42 V HN 0.569 nan 8.190 nan 0.000 0.446 43 G N -0.723 108.039 108.800 -0.063 0.000 2.547 43 G HA2 -0.337 3.619 3.960 -0.007 0.000 0.221 43 G HA3 -0.337 3.619 3.960 -0.007 0.000 0.221 43 G C 1.651 176.522 174.900 -0.048 0.000 1.140 43 G CA 1.954 47.023 45.100 -0.051 0.000 0.760 43 G HN 0.488 nan 8.290 nan 0.000 0.583 44 T N 1.077 115.597 114.554 -0.057 0.000 2.595 44 T HA -0.109 4.237 4.350 -0.007 0.000 0.264 44 T C 2.380 177.049 174.700 -0.052 0.000 1.058 44 T CA 1.310 63.383 62.100 -0.044 0.000 1.166 44 T CB -0.326 68.508 68.868 -0.055 0.000 0.863 44 T HN 0.069 nan 8.240 nan 0.000 0.415 45 L N 0.819 122.001 121.223 -0.067 0.000 1.990 45 L HA -0.116 4.220 4.340 -0.007 0.000 0.213 45 L C 2.696 179.507 176.870 -0.099 0.000 1.072 45 L CA 1.352 56.141 54.840 -0.085 0.000 0.755 45 L CB -1.229 40.773 42.059 -0.094 0.000 0.889 45 L HN 0.105 nan 8.230 nan 0.000 0.432 46 V N -0.066 119.794 119.914 -0.090 0.000 2.250 46 V HA -0.360 3.756 4.120 -0.007 0.000 0.250 46 V C 2.515 178.565 176.094 -0.073 0.000 1.060 46 V CA 2.175 64.422 62.300 -0.088 0.000 1.030 46 V CB -1.487 30.293 31.823 -0.071 0.000 0.643 46 V HN 0.638 nan 8.190 nan 0.000 0.445 47 G N -0.103 108.668 108.800 -0.049 0.000 2.545 47 G HA2 -0.239 3.717 3.960 -0.007 0.000 0.217 47 G HA3 -0.239 3.717 3.960 -0.007 0.000 0.217 47 G C 1.407 176.263 174.900 -0.074 0.000 1.218 47 G CA 1.153 46.239 45.100 -0.023 0.000 0.787 47 G HN 0.337 nan 8.290 nan 0.000 0.571 48 L N 1.479 122.635 121.223 -0.113 0.000 2.034 48 L HA -0.205 4.131 4.340 -0.007 0.000 0.217 48 L C 3.371 180.126 176.870 -0.193 0.000 1.077 48 L CA 2.183 56.903 54.840 -0.200 0.000 0.769 48 L CB -1.737 40.231 42.059 -0.152 0.000 0.890 48 L HN 0.368 nan 8.230 nan 0.000 0.435 49 A N -0.102 122.617 122.820 -0.168 0.000 1.841 49 A HA -0.200 4.116 4.320 -0.007 0.000 0.216 49 A C 2.561 180.103 177.584 -0.070 0.000 1.199 49 A CA 2.525 54.443 52.037 -0.199 0.000 0.621 49 A CB -1.057 17.800 19.000 -0.239 0.000 0.835 49 A HN 0.424 nan 8.150 nan 0.000 0.445 50 A N -0.869 121.932 122.820 -0.032 0.000 1.954 50 A HA -0.160 4.156 4.320 -0.007 0.000 0.222 50 A C 2.268 179.940 177.584 0.147 0.000 1.199 50 A CA 2.447 54.528 52.037 0.073 0.000 0.657 50 A CB -1.162 17.876 19.000 0.064 0.000 0.823 50 A HN 0.515 nan 8.150 nan 0.000 0.463 51 V N -0.610 119.323 119.914 0.032 0.000 2.255 51 V HA -0.173 3.943 4.120 -0.007 0.000 0.243 51 V C 3.058 179.158 176.094 0.011 0.000 1.038 51 V CA 1.882 64.168 62.300 -0.023 0.000 1.008 51 V CB -1.461 30.178 31.823 -0.305 0.000 0.645 51 V HN 0.667 nan 8.190 nan 0.000 0.449 52 A N -0.129 122.677 122.820 -0.025 0.000 1.915 52 A HA -0.330 3.986 4.320 -0.007 0.000 0.220 52 A C 2.117 179.851 177.584 0.250 0.000 1.198 52 A CA 2.598 54.681 52.037 0.075 0.000 0.647 52 A CB -0.894 18.135 19.000 0.048 0.000 0.825 52 A HN 0.515 nan 8.150 nan 0.000 0.456 53 F N 0.989 121.079 119.950 0.233 0.000 2.010 53 F HA -0.228 4.295 4.527 -0.006 0.000 0.296 53 F C 2.027 177.872 175.800 0.076 0.000 1.146 53 F CA 2.399 60.534 58.000 0.226 0.000 1.181 53 F CB -0.900 38.240 39.000 0.233 0.000 0.965 53 F HN 0.407 nan 8.300 nan 0.000 0.480 54 D N 0.088 120.580 120.400 0.153 0.000 2.191 54 D HA -0.252 4.384 4.640 -0.007 0.000 0.190 54 D C 2.073 178.361 176.300 -0.020 0.000 1.007 54 D CA 2.085 56.108 54.000 0.037 0.000 0.865 54 D CB -0.119 40.772 40.800 0.153 0.000 0.929 54 D HN 0.150 nan 8.370 nan 0.000 0.447 55 K N -0.173 120.238 120.400 0.018 0.000 1.985 55 K HA -0.029 4.287 4.320 -0.007 0.000 0.210 55 K C 2.358 178.972 176.600 0.023 0.000 1.047 55 K CA 1.322 57.629 56.287 0.033 0.000 0.932 55 K CB -1.180 31.345 32.500 0.042 0.000 0.716 55 K HN 0.332 nan 8.250 nan 0.000 0.439 56 G N 1.509 110.283 108.800 -0.043 0.000 2.469 56 G HA2 -0.241 3.715 3.960 -0.007 0.000 0.219 56 G HA3 -0.241 3.715 3.960 -0.007 0.000 0.219 56 G C 1.765 176.596 174.900 -0.116 0.000 1.150 56 G CA 1.170 46.198 45.100 -0.121 0.000 0.763 56 G HN 0.118 nan 8.290 nan 0.000 0.561 57 V N 1.664 121.430 119.914 -0.247 0.000 2.231 57 V HA -0.210 3.906 4.120 -0.007 0.000 0.248 57 V C 3.357 179.420 176.094 -0.052 0.000 1.054 57 V CA 2.349 64.500 62.300 -0.248 0.000 1.015 57 V CB -1.165 30.418 31.823 -0.400 0.000 0.638 57 V HN 0.520 nan 8.190 nan 0.000 0.444 58 A N -0.934 121.881 122.820 -0.008 0.000 1.859 58 A HA -0.340 3.976 4.320 -0.007 0.000 0.217 58 A C 2.010 179.670 177.584 0.127 0.000 1.198 58 A CA 2.347 54.414 52.037 0.050 0.000 0.629 58 A CB -1.323 17.708 19.000 0.052 0.000 0.830 58 A HN 0.756 nan 8.150 nan 0.000 0.446 59 W N 0.493 121.759 121.300 -0.056 0.000 2.276 59 W HA -0.293 4.364 4.660 -0.006 0.000 0.307 59 W C 1.769 178.258 176.519 -0.050 0.000 1.240 59 W CA 2.229 59.549 57.345 -0.042 0.000 1.249 59 W CB -0.187 29.249 29.460 -0.039 0.000 1.140 59 W HN 0.323 nan 8.180 nan 0.000 0.519 60 L N -0.265 121.267 121.223 0.515 0.000 2.044 60 L HA -0.198 4.138 4.340 -0.007 0.000 0.205 60 L C 2.550 179.468 176.870 0.080 0.000 1.075 60 L CA 1.443 56.503 54.840 0.367 0.000 0.747 60 L CB -1.160 41.030 42.059 0.218 0.000 0.903 60 L HN -0.031 nan 8.230 nan 0.000 0.435 61 Q N -0.253 119.574 119.800 0.046 0.000 2.443 61 Q HA -0.201 4.135 4.340 -0.007 0.000 0.213 61 Q C 1.744 177.725 176.000 -0.033 0.000 0.982 61 Q CA 1.131 56.937 55.803 0.005 0.000 0.894 61 Q CB -0.268 28.477 28.738 0.011 0.000 0.947 61 Q HN 0.517 nan 8.270 nan 0.000 0.480 62 N N -0.221 118.431 118.700 -0.081 0.000 2.124 62 N HA -0.182 4.554 4.740 -0.007 0.000 0.189 62 N C 1.532 176.918 175.510 -0.206 0.000 1.050 62 N CA 0.525 53.478 53.050 -0.161 0.000 0.848 62 N CB 0.191 38.512 38.487 -0.277 0.000 1.027 62 N HN 0.020 nan 8.380 nan 0.000 0.435 63 Q N 1.215 120.816 119.800 -0.331 0.000 2.142 63 Q HA -0.153 4.183 4.340 -0.007 0.000 0.213 63 Q C 1.489 177.400 176.000 -0.147 0.000 1.004 63 Q CA 1.535 57.166 55.803 -0.288 0.000 0.883 63 Q CB -0.509 28.072 28.738 -0.262 0.000 0.939 63 Q HN 0.315 nan 8.270 nan 0.000 0.413 64 R N -1.035 119.407 120.500 -0.097 0.000 2.425 64 R HA -0.093 4.243 4.340 -0.007 0.000 0.206 64 R C 1.165 177.426 176.300 -0.066 0.000 1.117 64 R CA 0.597 56.656 56.100 -0.068 0.000 1.098 64 R CB -0.038 30.240 30.300 -0.037 0.000 0.843 64 R HN 0.200 nan 8.270 nan 0.000 0.480 65 M N -2.568 116.989 119.600 -0.072 0.000 2.971 65 M HA 0.217 4.693 4.480 -0.007 0.000 0.238 65 M C 1.860 178.132 176.300 -0.048 0.000 1.582 65 M CA 0.877 56.152 55.300 -0.041 0.000 1.223 65 M CB -0.124 32.459 32.600 -0.029 0.000 1.238 65 M HN 0.058 nan 8.290 nan 0.000 0.568 66 G N -0.350 108.408 108.800 -0.071 0.000 2.615 66 G HA2 0.082 4.038 3.960 -0.007 0.000 0.213 66 G HA3 0.082 4.038 3.960 -0.007 0.000 0.213 66 G C 1.156 176.033 174.900 -0.039 0.000 1.135 66 G CA 1.069 46.139 45.100 -0.050 0.000 0.772 66 G HN 0.543 nan 8.290 nan 0.000 0.542 67 A N 0.048 122.823 122.820 -0.076 0.000 1.909 67 A HA 0.382 4.698 4.320 -0.007 0.000 0.210 67 A C 2.263 179.785 177.584 -0.102 0.000 1.273 67 A CA 0.332 52.302 52.037 -0.112 0.000 0.654 67 A CB -0.246 18.679 19.000 -0.125 0.000 0.945 67 A HN 0.241 nan 8.150 nan 0.000 0.471 68 L N -0.394 120.747 121.223 -0.137 0.000 1.955 68 L HA -0.187 4.149 4.340 -0.007 0.000 0.213 68 L C 2.503 179.326 176.870 -0.078 0.000 1.072 68 L CA 1.658 56.370 54.840 -0.213 0.000 0.755 68 L CB -0.689 41.168 42.059 -0.337 0.000 0.888 68 L HN 0.286 nan 8.230 nan 0.000 0.432 69 V N -0.245 119.667 119.914 -0.003 0.000 2.380 69 V HA -0.349 3.767 4.120 -0.007 0.000 0.251 69 V C 2.663 178.800 176.094 0.072 0.000 1.063 69 V CA 2.226 64.555 62.300 0.049 0.000 1.055 69 V CB -0.758 31.093 31.823 0.046 0.000 0.657 69 V HN 0.598 nan 8.190 nan 0.000 0.455 70 H N 0.826 119.872 119.070 -0.041 0.000 2.423 70 H HA -0.080 4.471 4.556 -0.007 0.000 0.297 70 H C 1.757 177.066 175.328 -0.032 0.000 1.075 70 H CA 1.922 57.950 56.048 -0.033 0.000 1.342 70 H CB -0.189 29.548 29.762 -0.041 0.000 1.395 70 H HN 0.622 nan 8.280 nan 0.000 0.530 71 T N -2.505 112.195 114.554 0.244 0.000 3.308 71 T HA 0.598 4.944 4.350 -0.007 0.000 0.270 71 T C 1.253 175.975 174.700 0.037 0.000 0.992 71 T CA 0.052 62.241 62.100 0.148 0.000 0.931 71 T CB -0.122 68.784 68.868 0.064 0.000 1.142 71 T HN 0.326 nan 8.240 nan 0.000 0.525 72 A N 1.469 124.319 122.820 0.051 0.000 2.206 72 A HA 0.098 4.414 4.320 -0.007 0.000 0.211 72 A C 1.884 179.532 177.584 0.107 0.000 1.158 72 A CA 0.959 53.046 52.037 0.083 0.000 0.761 72 A CB -0.288 18.775 19.000 0.106 0.000 0.801 72 A HN 0.747 nan 8.150 nan 0.000 0.473 73 D N 0.181 120.627 120.400 0.076 0.000 2.154 73 D HA -0.120 4.516 4.640 -0.007 0.000 0.211 73 D C 0.883 177.245 176.300 0.103 0.000 0.977 73 D CA 0.635 54.682 54.000 0.079 0.000 0.869 73 D CB -0.976 39.851 40.800 0.044 0.000 1.022 73 D HN 0.224 nan 8.370 nan 0.000 0.461 74 N N 0.215 118.964 118.700 0.082 0.000 2.549 74 N HA -0.091 4.645 4.740 -0.007 0.000 0.267 74 N C 0.437 176.013 175.510 0.109 0.000 1.182 74 N CA -0.188 52.916 53.050 0.090 0.000 1.019 74 N CB -0.470 38.050 38.487 0.056 0.000 1.380 74 N HN 0.172 nan 8.380 nan 0.000 0.505 75 Y N 5.400 125.735 120.300 0.058 0.000 2.062 75 Y HA -0.198 4.348 4.550 -0.006 0.000 0.276 75 Y C -0.947 174.989 175.900 0.060 0.000 1.189 75 Y CA 2.194 60.343 58.100 0.081 0.000 1.130 75 Y CB -0.948 37.566 38.460 0.091 0.000 0.959 75 Y HN 0.459 nan 8.280 nan 0.000 0.499 76 P HA -0.186 nan 4.420 nan 0.000 0.219 76 P C 1.601 178.879 177.300 -0.037 0.000 1.146 76 P CA 1.397 64.543 63.100 0.078 0.000 0.808 76 P CB -0.109 31.657 31.700 0.111 0.000 0.779 77 L N -1.560 119.644 121.223 -0.033 0.000 2.217 77 L HA -0.061 4.275 4.340 -0.007 0.000 0.211 77 L C 1.918 178.715 176.870 -0.122 0.000 1.107 77 L CA 1.456 56.264 54.840 -0.052 0.000 0.783 77 L CB -1.179 40.871 42.059 -0.014 0.000 0.919 77 L HN -0.089 nan 8.230 nan 0.000 0.442 78 L N -1.632 119.465 121.223 -0.210 0.000 1.938 78 L HA -0.204 4.132 4.340 -0.007 0.000 0.212 78 L C 2.232 178.900 176.870 -0.338 0.000 1.085 78 L CA 0.783 55.408 54.840 -0.358 0.000 0.760 78 L CB -0.760 40.970 42.059 -0.548 0.000 0.888 78 L HN 0.117 nan 8.230 nan 0.000 0.433 79 L N -0.153 120.843 121.223 -0.378 0.000 2.386 79 L HA -0.288 4.048 4.340 -0.007 0.000 0.220 79 L C 2.370 179.202 176.870 -0.063 0.000 1.115 79 L CA 1.725 56.453 54.840 -0.187 0.000 0.780 79 L CB -1.957 40.014 42.059 -0.148 0.000 0.902 79 L HN 0.468 nan 8.230 nan 0.000 0.442 80 T N -0.263 114.240 114.554 -0.085 0.000 2.755 80 T HA -0.075 4.271 4.350 -0.007 0.000 0.251 80 T C 1.929 176.641 174.700 0.021 0.000 1.044 80 T CA 1.477 63.560 62.100 -0.029 0.000 1.154 80 T CB -0.132 68.708 68.868 -0.048 0.000 0.866 80 T HN 0.345 nan 8.240 nan 0.000 0.416 81 V N 1.001 120.885 119.914 -0.050 0.000 2.720 81 V HA 0.084 4.200 4.120 -0.007 0.000 0.256 81 V C 2.421 178.483 176.094 -0.053 0.000 1.082 81 V CA 1.523 63.792 62.300 -0.052 0.000 1.101 81 V CB -1.374 30.383 31.823 -0.110 0.000 0.693 81 V HN 0.414 nan 8.190 nan 0.000 0.479 82 A N -0.678 122.088 122.820 -0.089 0.000 2.066 82 A HA 0.056 4.372 4.320 -0.007 0.000 0.218 82 A C 1.944 179.544 177.584 0.028 0.000 1.157 82 A CA 1.652 53.639 52.037 -0.084 0.000 0.670 82 A CB -0.581 18.329 19.000 -0.151 0.000 0.804 82 A HN 0.740 nan 8.150 nan 0.000 0.453 83 F N -0.065 119.852 119.950 -0.054 0.000 2.298 83 F HA 0.166 4.688 4.527 -0.008 0.000 0.282 83 F C 1.785 177.578 175.800 -0.012 0.000 1.045 83 F CA 0.683 58.673 58.000 -0.016 0.000 1.280 83 F CB -0.429 38.564 39.000 -0.011 0.000 1.114 83 F HN 0.077 nan 8.300 nan 0.000 0.546 84 L N 0.208 121.652 121.223 0.368 0.000 1.991 84 L HA -0.391 3.945 4.340 -0.007 0.000 0.221 84 L C 2.662 179.549 176.870 0.029 0.000 1.079 84 L CA 1.987 56.959 54.840 0.221 0.000 0.778 84 L CB -1.428 40.719 42.059 0.146 0.000 0.893 84 L HN 0.347 nan 8.230 nan 0.000 0.437 85 C N -0.678 118.621 119.300 -0.003 0.000 2.359 85 C HA -0.228 4.228 4.460 -0.007 0.000 0.277 85 C C 3.117 178.078 174.990 -0.049 0.000 1.192 85 C CA 1.397 60.398 59.018 -0.028 0.000 1.759 85 C CB -0.967 26.749 27.740 -0.040 0.000 2.038 85 C HN 0.571 nan 8.230 nan 0.000 0.448 86 S N 0.874 116.522 115.700 -0.087 0.000 2.392 86 S HA -0.232 4.234 4.470 -0.007 0.000 0.225 86 S C 2.206 176.738 174.600 -0.112 0.000 1.041 86 S CA 1.774 59.915 58.200 -0.097 0.000 1.100 86 S CB -1.031 62.083 63.200 -0.144 0.000 1.029 86 S HN 0.745 nan 8.310 nan 0.000 0.424 87 A N 1.536 124.199 122.820 -0.262 0.000 1.882 87 A HA -0.219 4.097 4.320 -0.007 0.000 0.220 87 A C 2.384 179.948 177.584 -0.033 0.000 1.253 87 A CA 2.504 54.403 52.037 -0.230 0.000 0.664 87 A CB -1.537 17.238 19.000 -0.374 0.000 0.838 87 A HN 0.353 nan 8.150 nan 0.000 0.460 88 V N 0.112 120.028 119.914 0.003 0.000 2.250 88 V HA -0.350 3.766 4.120 -0.007 0.000 0.250 88 V C 2.601 178.760 176.094 0.107 0.000 1.060 88 V CA 2.354 64.690 62.300 0.060 0.000 1.030 88 V CB -0.973 30.877 31.823 0.044 0.000 0.643 88 V HN 0.581 nan 8.190 nan 0.000 0.445 89 L N -0.199 121.068 121.223 0.073 0.000 1.961 89 L HA -0.156 4.180 4.340 -0.007 0.000 0.210 89 L C 2.864 179.862 176.870 0.213 0.000 1.072 89 L CA 1.698 56.605 54.840 0.110 0.000 0.749 89 L CB -1.169 40.911 42.059 0.036 0.000 0.889 89 L HN 0.370 nan 8.230 nan 0.000 0.432 90 A N 0.241 123.156 122.820 0.160 0.000 1.909 90 A HA -0.334 3.982 4.320 -0.007 0.000 0.221 90 A C 2.324 180.148 177.584 0.400 0.000 1.223 90 A CA 2.624 54.814 52.037 0.255 0.000 0.658 90 A CB -0.754 18.363 19.000 0.195 0.000 0.831 90 A HN 0.399 nan 8.150 nan 0.000 0.462 91 M N -2.426 117.328 119.600 0.256 0.000 2.115 91 M HA -0.160 4.316 4.480 -0.007 0.000 0.258 91 M C 2.212 178.711 176.300 0.333 0.000 1.071 91 M CA 2.321 57.760 55.300 0.233 0.000 1.100 91 M CB -0.694 31.980 32.600 0.124 0.000 1.292 91 M HN 0.545 nan 8.290 nan 0.000 0.415 92 F N 1.167 121.225 119.950 0.181 0.000 2.141 92 F HA -0.210 4.313 4.527 -0.007 0.000 0.300 92 F C 1.999 177.898 175.800 0.165 0.000 1.079 92 F CA 1.785 59.900 58.000 0.192 0.000 1.264 92 F CB -0.793 38.271 39.000 0.106 0.000 1.011 92 F HN 0.098 nan 8.300 nan 0.000 0.487 93 G N -0.755 108.240 108.800 0.325 0.000 2.524 93 G HA2 -0.303 3.653 3.960 -0.007 0.000 0.215 93 G HA3 -0.303 3.653 3.960 -0.007 0.000 0.215 93 G C 1.379 176.270 174.900 -0.016 0.000 1.239 93 G CA 1.029 46.203 45.100 0.124 0.000 0.798 93 G HN 0.446 nan 8.290 nan 0.000 0.557 94 Y N 0.032 120.317 120.300 -0.026 0.000 2.069 94 Y HA -0.187 4.359 4.550 -0.007 0.000 0.278 94 Y C 2.466 178.342 175.900 -0.040 0.000 1.175 94 Y CA 1.639 59.673 58.100 -0.109 0.000 1.134 94 Y CB -0.877 37.521 38.460 -0.104 0.000 0.965 94 Y HN 0.241 nan 8.280 nan 0.000 0.498 95 F N 0.053 120.011 119.950 0.014 0.000 2.027 95 F HA -0.329 4.194 4.527 -0.007 0.000 0.297 95 F C 1.960 177.702 175.800 -0.097 0.000 1.129 95 F CA 0.865 58.833 58.000 -0.052 0.000 1.195 95 F CB -0.290 38.651 39.000 -0.098 0.000 0.960 95 F HN -0.030 nan 8.300 nan 0.000 0.485 96 L N 0.391 121.391 121.223 -0.372 0.000 2.551 96 L HA -0.177 4.159 4.340 -0.007 0.000 0.230 96 L C 1.781 178.527 176.870 -0.208 0.000 1.163 96 L CA 0.778 55.314 54.840 -0.508 0.000 0.826 96 L CB -1.293 40.386 42.059 -0.634 0.000 0.943 96 L HN 0.209 nan 8.230 nan 0.000 0.452 97 V N -1.130 118.702 119.914 -0.137 0.000 2.599 97 V HA -0.030 4.086 4.120 -0.007 0.000 0.237 97 V C 2.390 178.420 176.094 -0.107 0.000 1.081 97 V CA 0.383 62.599 62.300 -0.140 0.000 1.107 97 V CB -0.279 31.404 31.823 -0.233 0.000 0.808 97 V HN 0.291 nan 8.190 nan 0.000 0.486 98 R N 1.075 121.515 120.500 -0.100 0.000 2.152 98 R HA -0.131 4.205 4.340 -0.007 0.000 0.232 98 R C 1.826 178.140 176.300 0.024 0.000 1.117 98 R CA 1.103 57.171 56.100 -0.052 0.000 0.981 98 R CB -0.347 29.966 30.300 0.022 0.000 0.870 98 R HN 0.316 nan 8.270 nan 0.000 0.451 99 K N -1.009 119.423 120.400 0.052 0.000 2.358 99 K HA 0.104 4.420 4.320 -0.007 0.000 0.200 99 K C 0.092 176.456 176.600 -0.393 0.000 1.030 99 K CA 0.330 56.562 56.287 -0.092 0.000 1.097 99 K CB 0.518 33.014 32.500 -0.008 0.000 0.862 99 K HN 0.070 nan 8.250 nan 0.000 0.534 100 Y N -2.080 118.119 120.300 -0.168 0.000 2.491 100 Y HA 0.455 5.001 4.550 -0.007 0.000 0.276 100 Y C -0.341 175.462 175.900 -0.162 0.000 1.041 100 Y CA -0.286 57.713 58.100 -0.167 0.000 1.191 100 Y CB 1.580 39.912 38.460 -0.213 0.000 1.365 100 Y HN -0.023 nan 8.280 nan 0.000 0.566 101 A N -0.083 122.722 122.820 -0.026 0.000 2.730 101 A HA 0.449 4.765 4.320 -0.007 0.000 0.280 101 A C -2.597 174.923 177.584 -0.106 0.000 1.307 101 A CA -0.638 51.346 52.037 -0.089 0.000 0.933 101 A CB 0.075 19.011 19.000 -0.107 0.000 1.431 101 A HN -0.041 nan 8.150 nan 0.000 0.601 102 P HA -0.193 nan 4.420 nan 0.000 0.219 102 P C 1.336 178.572 177.300 -0.107 0.000 1.146 102 P CA 1.738 64.771 63.100 -0.111 0.000 0.808 102 P CB 0.199 31.863 31.700 -0.062 0.000 0.779 103 E N -0.296 119.848 120.200 -0.094 0.000 2.204 103 E HA -0.151 4.195 4.350 -0.007 0.000 0.195 103 E C 1.811 178.359 176.600 -0.087 0.000 0.990 103 E CA 1.075 57.425 56.400 -0.083 0.000 0.821 103 E CB -0.844 28.801 29.700 -0.091 0.000 0.750 103 E HN 0.158 nan 8.360 nan 0.000 0.477 104 A N 2.531 125.288 122.820 -0.105 0.000 1.822 104 A HA 0.090 4.406 4.320 -0.007 0.000 0.214 104 A C 1.874 179.391 177.584 -0.111 0.000 1.245 104 A CA 0.785 52.763 52.037 -0.099 0.000 0.608 104 A CB -1.565 17.372 19.000 -0.105 0.000 0.896 104 A HN 0.340 nan 8.150 nan 0.000 0.457 105 G N -0.255 108.444 108.800 -0.168 0.000 2.862 105 G HA2 0.432 4.388 3.960 -0.007 0.000 0.303 105 G HA3 0.432 4.388 3.960 -0.007 0.000 0.303 105 G C 0.745 175.538 174.900 -0.177 0.000 0.335 105 G CA 0.936 45.901 45.100 -0.227 0.000 1.186 105 G HN 2.073 nan 8.290 nan 0.000 0.190 106 G N 1.007 109.730 108.800 -0.129 0.000 2.384 106 G HA2 0.257 4.213 3.960 -0.007 0.000 0.668 106 G HA3 0.257 4.213 3.960 -0.007 0.000 0.668 106 G C 0.920 175.905 174.900 0.142 0.000 1.280 106 G CA 0.490 45.531 45.100 -0.098 0.000 0.992 106 G HN 1.756 nan 8.290 nan 0.000 0.512 107 S N -0.722 115.221 115.700 0.405 0.000 2.435 107 S HA 0.082 4.548 4.470 -0.007 0.000 0.250 107 S C 2.591 177.310 174.600 0.197 0.000 1.065 107 S CA 4.318 62.750 58.200 0.388 0.000 1.243 107 S CB -0.785 62.634 63.200 0.364 0.000 1.158 107 S HN 2.933 nan 8.310 nan 0.000 0.430 108 G N -0.391 108.496 108.800 0.146 0.000 2.253 108 G HA2 -0.183 3.773 3.960 -0.007 0.000 0.209 108 G HA3 -0.183 3.773 3.960 -0.007 0.000 0.209 108 G C 0.902 175.865 174.900 0.106 0.000 0.997 108 G CA 0.340 45.488 45.100 0.081 0.000 0.640 108 G HN 0.562 nan 8.290 nan 0.000 0.496 109 I N 1.502 122.197 120.570 0.209 0.000 2.286 109 I HA -0.021 4.145 4.170 -0.007 0.000 0.245 109 I C 0.113 176.358 176.117 0.213 0.000 1.104 109 I CA 1.262 62.701 61.300 0.232 0.000 1.397 109 I CB -0.846 37.387 38.000 0.389 0.000 1.072 109 I HN 0.124 nan 8.210 nan 0.000 0.417 110 P HA -0.183 nan 4.420 nan 0.000 0.215 110 P C 1.411 178.759 177.300 0.080 0.000 1.157 110 P CA 1.401 64.594 63.100 0.155 0.000 0.874 110 P CB -0.008 31.749 31.700 0.096 0.000 0.790 111 E N -0.405 119.829 120.200 0.056 0.000 2.000 111 E HA -0.170 4.176 4.350 -0.007 0.000 0.199 111 E C 2.117 178.727 176.600 0.017 0.000 1.011 111 E CA 1.159 57.573 56.400 0.024 0.000 0.836 111 E CB -1.147 28.557 29.700 0.006 0.000 0.778 111 E HN 0.137 nan 8.360 nan 0.000 0.462 112 I N 1.379 121.958 120.570 0.015 0.000 2.185 112 I HA -0.291 3.875 4.170 -0.007 0.000 0.246 112 I C 2.471 178.575 176.117 -0.022 0.000 1.088 112 I CA 1.427 62.725 61.300 -0.003 0.000 1.347 112 I CB -1.018 36.978 38.000 -0.006 0.000 1.041 112 I HN 0.289 nan 8.210 nan 0.000 0.415 113 E N 0.493 120.685 120.200 -0.013 0.000 2.110 113 E HA -0.180 4.166 4.350 -0.007 0.000 0.193 113 E C 2.295 178.876 176.600 -0.032 0.000 0.988 113 E CA 1.346 57.721 56.400 -0.042 0.000 0.804 113 E CB -0.193 29.501 29.700 -0.010 0.000 0.745 113 E HN 0.534 nan 8.360 nan 0.000 0.458 114 G N 0.257 109.055 108.800 -0.002 0.000 2.396 114 G HA2 -0.141 3.815 3.960 -0.007 0.000 0.214 114 G HA3 -0.141 3.815 3.960 -0.007 0.000 0.214 114 G C 1.604 176.497 174.900 -0.012 0.000 1.166 114 G CA 0.547 45.648 45.100 0.002 0.000 0.793 114 G HN 0.364 nan 8.290 nan 0.000 0.533 115 A N 0.439 123.253 122.820 -0.010 0.000 2.131 115 A HA 0.124 4.440 4.320 -0.007 0.000 0.220 115 A C 2.330 179.890 177.584 -0.039 0.000 1.158 115 A CA 0.886 52.922 52.037 -0.003 0.000 0.665 115 A CB -0.291 18.716 19.000 0.013 0.000 0.795 115 A HN 0.377 nan 8.150 nan 0.000 0.460 116 L N -0.815 120.355 121.223 -0.088 0.000 2.056 116 L HA -0.120 4.216 4.340 -0.007 0.000 0.207 116 L C 1.937 178.635 176.870 -0.287 0.000 1.078 116 L CA 1.177 55.896 54.840 -0.201 0.000 0.749 116 L CB -0.362 41.581 42.059 -0.193 0.000 0.901 116 L HN 0.427 nan 8.230 nan 0.000 0.433 117 E N -0.127 119.989 120.200 -0.141 0.000 2.416 117 E HA -0.077 4.269 4.350 -0.007 0.000 0.189 117 E C -0.497 176.090 176.600 -0.023 0.000 1.091 117 E CA -0.005 56.344 56.400 -0.085 0.000 0.889 117 E CB 0.044 29.736 29.700 -0.014 0.000 1.015 117 E HN 0.346 nan 8.360 nan 0.000 0.479 118 D N 0.829 121.220 120.400 -0.014 0.000 2.870 118 D HA -0.183 4.453 4.640 -0.007 0.000 0.228 118 D C 0.731 177.054 176.300 0.039 0.000 1.147 118 D CA 0.495 54.524 54.000 0.048 0.000 0.757 118 D CB -0.559 40.298 40.800 0.096 0.000 1.091 118 D HN 0.291 nan 8.370 nan 0.000 0.429 119 Q N -0.783 119.031 119.800 0.023 0.000 2.317 119 Q HA 0.120 4.456 4.340 -0.007 0.000 0.220 119 Q C 0.602 176.616 176.000 0.022 0.000 0.873 119 Q CA 0.613 56.430 55.803 0.022 0.000 0.936 119 Q CB 0.917 29.665 28.738 0.017 0.000 1.105 119 Q HN 0.304 nan 8.270 nan 0.000 0.520 120 R N 0.209 120.723 120.500 0.024 0.000 2.698 120 R HA 0.543 4.879 4.340 -0.007 0.000 0.275 120 R C -2.648 173.671 176.300 0.033 0.000 1.001 120 R CA -1.991 54.121 56.100 0.021 0.000 0.896 120 R CB 0.758 31.064 30.300 0.011 0.000 1.218 120 R HN -0.115 nan 8.270 nan 0.000 0.462 121 P HA 0.312 nan 4.420 nan 0.000 0.279 121 P C -0.472 176.842 177.300 0.023 0.000 1.252 121 P CA -0.667 62.466 63.100 0.054 0.000 0.811 121 P CB 0.801 32.541 31.700 0.068 0.000 1.035 122 V N 3.153 123.111 119.914 0.073 0.000 2.192 122 V HA 0.200 4.316 4.120 -0.007 0.000 0.264 122 V C 0.989 177.026 176.094 -0.095 0.000 1.155 122 V CA -0.318 62.016 62.300 0.058 0.000 1.005 122 V CB -0.496 31.438 31.823 0.185 0.000 1.201 122 V HN 0.431 nan 8.190 nan 0.000 0.468 123 R N 3.802 124.007 120.500 -0.492 0.000 4.902 123 R HA -0.009 4.327 4.340 -0.007 0.000 0.201 123 R C 1.670 177.119 176.300 -1.419 0.000 2.020 123 R CA -0.117 55.027 56.100 -1.593 0.000 1.674 123 R CB -0.140 29.472 30.300 -1.148 0.000 1.349 123 R HN 0.934 nan 8.270 nan 0.000 0.813 124 W N 0.805 121.735 121.300 -0.617 0.000 2.305 124 W HA -0.284 4.371 4.660 -0.007 0.000 0.308 124 W C 0.927 177.331 176.519 -0.192 0.000 1.226 124 W CA 0.987 58.185 57.345 -0.244 0.000 1.253 124 W CB -1.337 28.123 29.460 -0.000 0.000 1.146 124 W HN 0.452 nan 8.180 nan 0.000 0.507 125 W N 1.412 122.134 121.300 -0.962 0.000 2.480 125 W HA 0.042 4.698 4.660 -0.006 0.000 0.257 125 W C 2.144 178.518 176.519 -0.242 0.000 1.235 125 W CA 1.395 58.289 57.345 -0.752 0.000 1.218 125 W CB -1.106 27.707 29.460 -1.078 0.000 1.131 125 W HN -0.161 nan 8.180 nan 0.000 0.606 126 R N 0.145 120.186 120.500 -0.766 0.000 2.144 126 R HA 0.039 4.375 4.340 -0.007 0.000 0.195 126 R C 2.217 178.371 176.300 -0.243 0.000 1.077 126 R CA 0.892 56.726 56.100 -0.443 0.000 1.120 126 R CB -0.462 29.492 30.300 -0.577 0.000 1.060 126 R HN 0.117 nan 8.270 nan 0.000 0.520 127 V N 2.553 122.291 119.914 -0.292 0.000 2.255 127 V HA -0.296 3.820 4.120 -0.007 0.000 0.247 127 V C 2.474 178.541 176.094 -0.046 0.000 1.051 127 V CA 1.808 64.018 62.300 -0.149 0.000 1.018 127 V CB -0.678 31.057 31.823 -0.147 0.000 0.641 127 V HN 0.269 nan 8.190 nan 0.000 0.445 128 L N 0.646 121.872 121.223 0.004 0.000 1.957 128 L HA -0.190 4.146 4.340 -0.007 0.000 0.228 128 L C 0.603 177.527 176.870 0.090 0.000 1.086 128 L CA 2.679 57.543 54.840 0.039 0.000 0.796 128 L CB -2.314 39.799 42.059 0.091 0.000 0.900 128 L HN 0.351 nan 8.230 nan 0.000 0.439 129 P HA -0.159 nan 4.420 nan 0.000 0.216 129 P C 1.835 179.327 177.300 0.321 0.000 1.153 129 P CA 1.703 64.995 63.100 0.321 0.000 0.858 129 P CB -0.046 31.803 31.700 0.248 0.000 0.789 130 V N 1.021 121.002 119.914 0.112 0.000 2.216 130 V HA -0.228 3.888 4.120 -0.007 0.000 0.242 130 V C 2.784 178.918 176.094 0.067 0.000 1.042 130 V CA 2.402 64.724 62.300 0.036 0.000 0.991 130 V CB -1.334 30.459 31.823 -0.049 0.000 0.633 130 V HN 0.044 nan 8.190 nan 0.000 0.449 131 K N -0.207 120.206 120.400 0.023 0.000 2.107 131 K HA -0.244 4.072 4.320 -0.007 0.000 0.211 131 K C 1.859 178.497 176.600 0.063 0.000 1.049 131 K CA 2.049 58.339 56.287 0.005 0.000 0.927 131 K CB -0.781 31.693 32.500 -0.044 0.000 0.714 131 K HN 0.452 nan 8.250 nan 0.000 0.452 132 F N -0.605 119.289 119.950 -0.093 0.000 1.990 132 F HA -0.207 4.316 4.527 -0.006 0.000 0.294 132 F C 1.755 177.574 175.800 0.030 0.000 1.177 132 F CA 1.692 59.616 58.000 -0.127 0.000 1.167 132 F CB -0.424 38.385 39.000 -0.319 0.000 0.971 132 F HN -0.000 nan 8.300 nan 0.000 0.483 133 F N 1.201 121.113 119.950 -0.064 0.000 2.192 133 F HA -0.102 4.421 4.527 -0.007 0.000 0.301 133 F C 2.601 178.447 175.800 0.077 0.000 1.079 133 F CA 1.320 59.255 58.000 -0.109 0.000 1.303 133 F CB -1.550 37.505 39.000 0.092 0.000 1.024 133 F HN 0.164 nan 8.300 nan 0.000 0.494 134 G N -0.302 108.636 108.800 0.229 0.000 2.418 134 G HA2 -0.175 3.781 3.960 -0.007 0.000 0.217 134 G HA3 -0.175 3.781 3.960 -0.007 0.000 0.217 134 G C 2.055 177.030 174.900 0.124 0.000 1.158 134 G CA 0.854 46.032 45.100 0.130 0.000 0.771 134 G HN 0.512 nan 8.290 nan 0.000 0.545 135 G N 0.358 109.253 108.800 0.158 0.000 2.448 135 G HA2 0.006 3.962 3.960 -0.007 0.000 0.218 135 G HA3 0.006 3.962 3.960 -0.007 0.000 0.218 135 G C 1.648 176.608 174.900 0.099 0.000 1.135 135 G CA 0.446 45.680 45.100 0.224 0.000 0.784 135 G HN 0.307 nan 8.290 nan 0.000 0.543 136 L N 1.564 122.788 121.223 0.002 0.000 2.127 136 L HA 0.057 4.393 4.340 -0.007 0.000 0.211 136 L C 2.868 179.698 176.870 -0.067 0.000 1.089 136 L CA 1.618 56.350 54.840 -0.180 0.000 0.757 136 L CB -0.914 40.991 42.059 -0.257 0.000 0.899 136 L HN 0.235 nan 8.230 nan 0.000 0.434 137 G N -1.362 107.470 108.800 0.053 0.000 2.496 137 G HA2 -0.236 3.720 3.960 -0.007 0.000 0.214 137 G HA3 -0.236 3.720 3.960 -0.007 0.000 0.214 137 G C 1.581 176.521 174.900 0.067 0.000 1.234 137 G CA 1.365 46.523 45.100 0.097 0.000 0.807 137 G HN 0.426 nan 8.290 nan 0.000 0.543 138 T N 0.438 115.033 114.554 0.069 0.000 2.653 138 T HA -0.124 4.222 4.350 -0.007 0.000 0.268 138 T C 2.431 177.151 174.700 0.035 0.000 1.035 138 T CA 1.569 63.698 62.100 0.049 0.000 1.154 138 T CB -0.431 68.435 68.868 -0.004 0.000 0.862 138 T HN 0.141 nan 8.240 nan 0.000 0.441 139 L N 0.836 122.065 121.223 0.011 0.000 2.068 139 L HA 0.209 4.545 4.340 -0.007 0.000 0.204 139 L C 3.270 180.111 176.870 -0.048 0.000 1.076 139 L CA 1.201 56.026 54.840 -0.025 0.000 0.753 139 L CB -1.112 40.898 42.059 -0.080 0.000 0.910 139 L HN 0.483 nan 8.230 nan 0.000 0.439 140 G N -0.409 108.346 108.800 -0.075 0.000 2.501 140 G HA2 -0.157 3.799 3.960 -0.007 0.000 0.220 140 G HA3 -0.157 3.799 3.960 -0.007 0.000 0.220 140 G C 1.461 176.355 174.900 -0.010 0.000 1.114 140 G CA 0.765 45.835 45.100 -0.049 0.000 0.757 140 G HN 0.503 nan 8.290 nan 0.000 0.559 141 G N -0.399 108.400 108.800 -0.002 0.000 2.408 141 G HA2 0.359 4.315 3.960 -0.007 0.000 0.213 141 G HA3 0.359 4.315 3.960 -0.007 0.000 0.213 141 G C 1.109 176.011 174.900 0.003 0.000 1.177 141 G CA 0.807 45.909 45.100 0.003 0.000 0.802 141 G HN 1.361 nan 8.290 nan 0.000 0.533 142 G N -0.885 107.922 108.800 0.011 0.000 2.407 142 G HA2 -0.113 3.843 3.960 -0.007 0.000 0.210 142 G HA3 -0.113 3.843 3.960 -0.007 0.000 0.210 142 G C 0.304 175.221 174.900 0.028 0.000 1.015 142 G CA -0.163 44.948 45.100 0.019 0.000 0.807 142 G HN 0.281 nan 8.290 nan 0.000 0.539 143 M N 0.571 120.192 119.600 0.037 0.000 2.226 143 M HA 0.280 4.756 4.480 -0.007 0.000 0.324 143 M C 1.220 177.551 176.300 0.052 0.000 1.112 143 M CA -0.005 55.329 55.300 0.057 0.000 1.176 143 M CB 1.157 33.806 32.600 0.082 0.000 1.430 143 M HN -0.130 nan 8.290 nan 0.000 0.462 144 V N 4.123 124.077 119.914 0.067 0.000 2.743 144 V HA 0.129 4.245 4.120 -0.007 0.000 0.356 144 V C -0.015 176.120 176.094 0.068 0.000 1.594 144 V CA 0.350 62.683 62.300 0.056 0.000 1.652 144 V CB -1.815 30.051 31.823 0.071 0.000 1.389 144 V HN 0.502 nan 8.190 nan 0.000 0.514 145 L N 0.552 121.810 121.223 0.058 0.000 2.346 145 L HA 0.746 5.082 4.340 -0.007 0.000 0.276 145 L C 1.057 177.945 176.870 0.031 0.000 1.006 145 L CA -0.517 54.368 54.840 0.075 0.000 0.817 145 L CB 1.566 43.695 42.059 0.118 0.000 1.272 145 L HN 0.391 nan 8.230 nan 0.000 0.421 146 G N 1.378 110.192 108.800 0.024 0.000 2.468 146 G HA2 0.278 4.234 3.960 -0.007 0.000 0.264 146 G HA3 0.278 4.234 3.960 -0.007 0.000 0.264 146 G C 0.585 175.562 174.900 0.128 0.000 1.460 146 G CA -0.092 45.014 45.100 0.011 0.000 1.060 146 G HN 0.909 nan 8.290 nan 0.000 0.543 147 R N -2.436 118.186 120.500 0.203 0.000 2.556 147 R HA 0.544 4.880 4.340 -0.007 0.000 0.276 147 R C 1.893 178.370 176.300 0.294 0.000 0.931 147 R CA 0.790 57.107 56.100 0.362 0.000 1.061 147 R CB -0.176 30.378 30.300 0.423 0.000 1.432 147 R HN 0.449 nan 8.270 nan 0.000 0.547 148 A N 2.056 125.080 122.820 0.339 0.000 1.952 148 A HA 0.028 4.344 4.320 -0.007 0.000 0.206 148 A C 2.324 179.951 177.584 0.071 0.000 1.213 148 A CA 1.904 54.107 52.037 0.277 0.000 0.690 148 A CB -1.706 17.502 19.000 0.347 0.000 0.854 148 A HN 0.405 nan 8.150 nan 0.000 0.485 149 G N 0.180 109.016 108.800 0.059 0.000 2.808 149 G HA2 -0.331 3.625 3.960 -0.007 0.000 0.225 149 G HA3 -0.331 3.625 3.960 -0.007 0.000 0.225 149 G C -0.165 174.746 174.900 0.018 0.000 1.210 149 G CA 1.862 46.999 45.100 0.063 0.000 0.777 149 G HN 0.489 nan 8.290 nan 0.000 0.640 150 P HA -0.232 nan 4.420 nan 0.000 0.222 150 P C 2.330 179.493 177.300 -0.228 0.000 1.157 150 P CA 3.100 66.134 63.100 -0.111 0.000 0.905 150 P CB -0.483 31.149 31.700 -0.114 0.000 0.792 151 T N -3.700 110.730 114.554 -0.207 0.000 2.770 151 T HA -0.072 4.274 4.350 -0.007 0.000 0.258 151 T C 1.837 176.466 174.700 -0.118 0.000 1.039 151 T CA 1.128 63.109 62.100 -0.199 0.000 1.143 151 T CB -1.540 67.263 68.868 -0.108 0.000 0.866 151 T HN -0.136 nan 8.240 nan 0.000 0.428 152 V N 2.119 121.983 119.914 -0.084 0.000 2.313 152 V HA -0.297 3.819 4.120 -0.007 0.000 0.253 152 V C 2.949 179.013 176.094 -0.051 0.000 1.070 152 V CA 2.300 64.560 62.300 -0.066 0.000 1.057 152 V CB -0.926 30.862 31.823 -0.058 0.000 0.653 152 V HN 0.560 nan 8.190 nan 0.000 0.450 153 Q N -0.827 118.943 119.800 -0.050 0.000 2.096 153 Q HA -0.088 4.248 4.340 -0.007 0.000 0.197 153 Q C 2.304 178.266 176.000 -0.064 0.000 0.964 153 Q CA 1.438 57.216 55.803 -0.041 0.000 0.838 153 Q CB -0.041 28.679 28.738 -0.030 0.000 0.906 153 Q HN 0.620 nan 8.270 nan 0.000 0.444 154 I N 0.362 120.869 120.570 -0.106 0.000 2.454 154 I HA -0.198 3.968 4.170 -0.007 0.000 0.254 154 I C 2.100 178.154 176.117 -0.104 0.000 1.156 154 I CA 0.954 62.182 61.300 -0.121 0.000 1.433 154 I CB -0.610 37.273 38.000 -0.195 0.000 1.082 154 I HN 0.289 nan 8.210 nan 0.000 0.432 155 G N 0.950 109.694 108.800 -0.094 0.000 2.556 155 G HA2 -0.158 3.798 3.960 -0.007 0.000 0.215 155 G HA3 -0.158 3.798 3.960 -0.007 0.000 0.215 155 G C 1.711 176.571 174.900 -0.066 0.000 1.258 155 G CA 0.778 45.829 45.100 -0.082 0.000 0.811 155 G HN 0.415 nan 8.290 nan 0.000 0.557 156 G N 1.282 110.054 108.800 -0.047 0.000 2.624 156 G HA2 -0.388 3.568 3.960 -0.007 0.000 0.221 156 G HA3 -0.388 3.568 3.960 -0.007 0.000 0.221 156 G C 1.723 176.607 174.900 -0.026 0.000 1.169 156 G CA 1.629 46.711 45.100 -0.030 0.000 0.771 156 G HN 0.486 nan 8.290 nan 0.000 0.598 157 N N 0.348 119.041 118.700 -0.011 0.000 2.205 157 N HA -0.085 4.651 4.740 -0.007 0.000 0.186 157 N C 2.018 177.471 175.510 -0.095 0.000 1.015 157 N CA 0.993 54.060 53.050 0.028 0.000 0.862 157 N CB -0.098 38.442 38.487 0.087 0.000 0.986 157 N HN 0.278 nan 8.380 nan 0.000 0.429 158 I N 0.007 120.506 120.570 -0.117 0.000 2.202 158 I HA -0.069 4.097 4.170 -0.007 0.000 0.242 158 I C 2.367 178.366 176.117 -0.196 0.000 1.091 158 I CA 1.216 62.409 61.300 -0.179 0.000 1.368 158 I CB -1.650 36.267 38.000 -0.139 0.000 1.058 158 I HN 0.162 nan 8.210 nan 0.000 0.410 159 G N 0.435 109.161 108.800 -0.122 0.000 2.448 159 G HA2 -0.284 3.672 3.960 -0.007 0.000 0.219 159 G HA3 -0.284 3.672 3.960 -0.007 0.000 0.219 159 G C 1.871 176.709 174.900 -0.104 0.000 1.127 159 G CA 0.711 45.758 45.100 -0.089 0.000 0.766 159 G HN 0.241 nan 8.290 nan 0.000 0.552 160 R N 0.083 120.505 120.500 -0.130 0.000 2.100 160 R HA 0.226 4.562 4.340 -0.007 0.000 0.220 160 R C 2.376 178.460 176.300 -0.360 0.000 1.091 160 R CA 1.263 57.298 56.100 -0.109 0.000 0.986 160 R CB -0.663 29.666 30.300 0.048 0.000 0.888 160 R HN 0.344 nan 8.270 nan 0.000 0.444 161 M N 0.384 119.523 119.600 -0.769 0.000 2.108 161 M HA -0.166 4.310 4.480 -0.007 0.000 0.261 161 M C 1.760 177.606 176.300 -0.758 0.000 1.066 161 M CA 2.351 56.821 55.300 -1.383 0.000 1.107 161 M CB -0.091 31.662 32.600 -1.412 0.000 1.356 161 M HN 0.134 nan 8.290 nan 0.000 0.406 162 V N -0.772 118.858 119.914 -0.474 0.000 2.270 162 V HA -0.222 3.894 4.120 -0.007 0.000 0.245 162 V C 2.277 178.233 176.094 -0.230 0.000 1.043 162 V CA 1.675 63.754 62.300 -0.368 0.000 1.014 162 V CB -1.580 30.249 31.823 0.011 0.000 0.645 162 V HN 0.601 nan 8.190 nan 0.000 0.447 163 L N 1.442 122.616 121.223 -0.083 0.000 2.064 163 L HA -0.261 4.075 4.340 -0.007 0.000 0.216 163 L C 1.996 178.857 176.870 -0.015 0.000 1.077 163 L CA 2.850 57.695 54.840 0.009 0.000 0.766 163 L CB -0.991 41.081 42.059 0.020 0.000 0.890 163 L HN 0.411 nan 8.230 nan 0.000 0.435 164 D N -0.633 119.716 120.400 -0.085 0.000 2.120 164 D HA -0.045 4.591 4.640 -0.007 0.000 0.202 164 D C 2.280 178.508 176.300 -0.119 0.000 0.972 164 D CA 1.571 55.556 54.000 -0.025 0.000 0.837 164 D CB -0.161 40.719 40.800 0.133 0.000 0.989 164 D HN 0.414 nan 8.370 nan 0.000 0.469 165 I N -0.100 120.260 120.570 -0.350 0.000 2.567 165 I HA -0.206 3.960 4.170 -0.007 0.000 0.257 165 I C 0.737 176.574 176.117 -0.466 0.000 1.184 165 I CA 0.846 61.847 61.300 -0.497 0.000 1.451 165 I CB -0.028 37.475 38.000 -0.828 0.000 1.089 165 I HN -0.067 nan 8.210 nan 0.000 0.441 166 F N 1.022 120.971 119.950 -0.001 0.000 2.688 166 F HA 0.244 4.767 4.527 -0.007 0.000 0.310 166 F C 0.666 176.474 175.800 0.014 0.000 1.098 166 F CA -0.947 57.059 58.000 0.011 0.000 1.228 166 F CB -0.157 38.854 39.000 0.018 0.000 1.042 166 F HN -0.004 nan 8.300 nan 0.000 0.557 167 R N 0.788 121.353 120.500 0.108 0.000 3.034 167 R HA -0.248 4.088 4.340 -0.007 0.000 0.237 167 R C -0.883 175.473 176.300 0.093 0.000 0.861 167 R CA 0.385 56.533 56.100 0.079 0.000 0.588 167 R CB -2.875 27.460 30.300 0.059 0.000 1.035 167 R HN 0.404 nan 8.270 nan 0.000 0.488 168 L N 0.958 122.247 121.223 0.110 0.000 2.331 168 L HA 0.309 4.645 4.340 -0.007 0.000 0.278 168 L C 1.043 177.947 176.870 0.056 0.000 1.106 168 L CA 0.027 54.921 54.840 0.090 0.000 0.824 168 L CB 0.814 42.938 42.059 0.108 0.000 1.142 168 L HN 0.314 nan 8.230 nan 0.000 0.443 169 K N 1.974 122.397 120.400 0.038 0.000 2.211 169 K HA 0.704 5.020 4.320 -0.007 0.000 0.237 169 K C -0.270 176.332 176.600 0.005 0.000 1.002 169 K CA -0.167 56.133 56.287 0.022 0.000 0.885 169 K CB 1.862 34.374 32.500 0.019 0.000 1.136 169 K HN 0.693 nan 8.250 nan 0.000 0.448 170 G N 3.136 111.930 108.800 -0.012 0.000 3.269 170 G HA2 -0.130 3.826 3.960 -0.007 0.000 0.668 170 G HA3 -0.130 3.826 3.960 -0.007 0.000 0.668 170 G C 0.060 174.914 174.900 -0.077 0.000 1.100 170 G CA -0.198 44.883 45.100 -0.033 0.000 0.940 170 G HN 0.853 nan 8.290 nan 0.000 0.438 171 D N 0.526 120.842 120.400 -0.140 0.000 3.181 171 D HA -0.261 4.375 4.640 -0.007 0.000 0.190 171 D C 1.783 177.874 176.300 -0.349 0.000 1.155 171 D CA 1.943 55.737 54.000 -0.344 0.000 0.901 171 D CB 0.071 40.604 40.800 -0.446 0.000 0.891 171 D HN 0.847 nan 8.370 nan 0.000 0.498 172 E N 0.252 120.351 120.200 -0.169 0.000 2.049 172 E HA -0.198 4.148 4.350 -0.007 0.000 0.198 172 E C 1.934 178.513 176.600 -0.034 0.000 1.007 172 E CA 1.337 57.692 56.400 -0.076 0.000 0.809 172 E CB -0.098 29.588 29.700 -0.023 0.000 0.749 172 E HN 0.291 nan 8.360 nan 0.000 0.450 173 A N 0.484 123.289 122.820 -0.024 0.000 2.216 173 A HA -0.102 4.214 4.320 -0.007 0.000 0.214 173 A C 1.964 179.564 177.584 0.026 0.000 1.160 173 A CA 0.907 52.952 52.037 0.013 0.000 0.725 173 A CB -0.241 18.774 19.000 0.025 0.000 0.784 173 A HN 0.137 nan 8.150 nan 0.000 0.472 174 R N -1.889 118.615 120.500 0.006 0.000 2.221 174 R HA 0.120 4.456 4.340 -0.007 0.000 0.195 174 R C 1.480 177.893 176.300 0.188 0.000 0.956 174 R CA 0.530 56.675 56.100 0.075 0.000 1.064 174 R CB -0.045 30.294 30.300 0.065 0.000 1.049 174 R HN 0.738 nan 8.270 nan 0.000 0.534 175 H N -1.423 117.652 119.070 0.008 0.000 2.525 175 H HA 0.113 4.665 4.556 -0.007 0.000 0.275 175 H C 1.186 176.502 175.328 -0.019 0.000 0.984 175 H CA 0.952 56.995 56.048 -0.009 0.000 1.264 175 H CB 0.776 30.526 29.762 -0.019 0.000 1.432 175 H HN 0.106 nan 8.280 nan 0.000 0.549 176 T N 0.825 115.447 114.554 0.112 0.000 2.866 176 T HA 0.010 4.356 4.350 -0.007 0.000 0.250 176 T C 2.073 176.795 174.700 0.038 0.000 1.033 176 T CA 0.322 62.455 62.100 0.055 0.000 1.145 176 T CB -0.064 68.827 68.868 0.039 0.000 0.866 176 T HN 0.170 nan 8.240 nan 0.000 0.434 177 L N 0.834 122.081 121.223 0.040 0.000 2.353 177 L HA -0.014 4.322 4.340 -0.007 0.000 0.220 177 L C 2.263 179.140 176.870 0.012 0.000 1.133 177 L CA 0.727 55.581 54.840 0.023 0.000 0.798 177 L CB -0.393 41.683 42.059 0.029 0.000 0.922 177 L HN 0.227 nan 8.230 nan 0.000 0.445 178 L N -0.533 120.707 121.223 0.029 0.000 2.162 178 L HA 0.034 4.370 4.340 -0.007 0.000 0.205 178 L C 2.575 179.438 176.870 -0.011 0.000 1.086 178 L CA 1.380 56.228 54.840 0.014 0.000 0.778 178 L CB -0.270 41.811 42.059 0.037 0.000 0.928 178 L HN 0.086 nan 8.230 nan 0.000 0.446 179 A N -0.974 121.839 122.820 -0.010 0.000 1.872 179 A HA -0.173 4.144 4.320 -0.007 0.000 0.214 179 A C 2.363 179.927 177.584 -0.033 0.000 1.187 179 A CA 1.986 54.001 52.037 -0.037 0.000 0.614 179 A CB -1.276 17.701 19.000 -0.038 0.000 0.826 179 A HN 0.539 nan 8.150 nan 0.000 0.442 180 T N -2.462 112.081 114.554 -0.018 0.000 2.788 180 T HA -0.010 4.336 4.350 -0.007 0.000 0.268 180 T C 1.887 176.567 174.700 -0.034 0.000 1.044 180 T CA 1.684 63.771 62.100 -0.021 0.000 1.139 180 T CB -0.960 67.904 68.868 -0.008 0.000 0.867 180 T HN 0.431 nan 8.240 nan 0.000 0.454 181 G N 0.963 109.742 108.800 -0.035 0.000 2.462 181 G HA2 0.097 4.053 3.960 -0.007 0.000 0.220 181 G HA3 0.097 4.053 3.960 -0.007 0.000 0.220 181 G C 1.728 176.599 174.900 -0.048 0.000 1.121 181 G CA 0.855 45.927 45.100 -0.047 0.000 0.758 181 G HN 0.780 nan 8.290 nan 0.000 0.559 182 A N 1.237 124.032 122.820 -0.041 0.000 1.831 182 A HA 0.449 4.765 4.320 -0.007 0.000 0.213 182 A C 2.854 180.418 177.584 -0.032 0.000 1.223 182 A CA 1.992 54.009 52.037 -0.034 0.000 0.604 182 A CB -1.092 17.888 19.000 -0.034 0.000 0.878 182 A HN 0.767 nan 8.150 nan 0.000 0.450 183 A N 0.029 122.830 122.820 -0.031 0.000 1.892 183 A HA 0.038 4.354 4.320 -0.007 0.000 0.218 183 A C 2.523 180.065 177.584 -0.070 0.000 1.188 183 A CA 2.684 54.694 52.037 -0.045 0.000 0.631 183 A CB -1.267 17.696 19.000 -0.062 0.000 0.822 183 A HN 1.230 nan 8.150 nan 0.000 0.447 184 A N -0.556 122.228 122.820 -0.061 0.000 1.884 184 A HA -0.021 4.295 4.320 -0.007 0.000 0.219 184 A C 2.510 180.059 177.584 -0.058 0.000 1.197 184 A CA 2.462 54.464 52.037 -0.058 0.000 0.637 184 A CB -1.641 17.328 19.000 -0.052 0.000 0.827 184 A HN 0.887 nan 8.150 nan 0.000 0.450 185 G N -0.402 108.362 108.800 -0.060 0.000 2.480 185 G HA2 -0.207 3.749 3.960 -0.007 0.000 0.216 185 G HA3 -0.207 3.749 3.960 -0.007 0.000 0.216 185 G C 1.524 176.386 174.900 -0.063 0.000 1.200 185 G CA 1.307 46.371 45.100 -0.061 0.000 0.782 185 G HN 0.564 nan 8.290 nan 0.000 0.554 186 L N 1.406 122.564 121.223 -0.108 0.000 2.013 186 L HA 0.002 4.338 4.340 -0.007 0.000 0.212 186 L C 3.132 179.922 176.870 -0.133 0.000 1.073 186 L CA 2.430 57.154 54.840 -0.194 0.000 0.753 186 L CB -0.679 41.175 42.059 -0.343 0.000 0.890 186 L HN 0.270 nan 8.230 nan 0.000 0.432 187 A N -0.594 122.156 122.820 -0.118 0.000 1.902 187 A HA -0.064 4.252 4.320 -0.007 0.000 0.217 187 A C 2.258 179.778 177.584 -0.107 0.000 1.181 187 A CA 1.523 53.495 52.037 -0.108 0.000 0.623 187 A CB -1.164 17.770 19.000 -0.111 0.000 0.818 187 A HN 0.546 nan 8.150 nan 0.000 0.443 188 A N -1.139 121.638 122.820 -0.072 0.000 2.255 188 A HA 0.452 4.768 4.320 -0.007 0.000 0.206 188 A C 1.773 179.328 177.584 -0.048 0.000 1.193 188 A CA 1.300 53.298 52.037 -0.065 0.000 0.794 188 A CB -0.578 18.433 19.000 0.019 0.000 0.794 188 A HN 0.966 nan 8.150 nan 0.000 0.481 189 A N -2.211 120.631 122.820 0.036 0.000 2.192 189 A HA 0.533 4.849 4.320 -0.007 0.000 0.208 189 A C 0.882 178.620 177.584 0.257 0.000 1.220 189 A CA 0.338 52.503 52.037 0.213 0.000 0.900 189 A CB 0.233 19.461 19.000 0.379 0.000 0.937 189 A HN 0.370 nan 8.150 nan 0.000 0.487 190 F N -0.648 119.202 119.950 -0.168 0.000 2.798 190 F HA 0.259 4.782 4.527 -0.006 0.000 0.328 190 F C 0.666 176.281 175.800 -0.309 0.000 1.098 190 F CA -0.534 57.380 58.000 -0.145 0.000 1.172 190 F CB -0.273 38.709 39.000 -0.029 0.000 1.072 190 F HN 0.313 nan 8.300 nan 0.000 0.555 191 N N 1.414 119.884 118.700 -0.384 0.000 2.740 191 N HA -0.197 4.539 4.740 -0.007 0.000 0.248 191 N C -0.748 174.662 175.510 -0.165 0.000 1.062 191 N CA 0.792 53.524 53.050 -0.530 0.000 0.704 191 N CB -0.821 37.306 38.487 -0.600 0.000 0.968 191 N HN 0.294 nan 8.380 nan 0.000 0.547 192 A N 0.096 122.858 122.820 -0.098 0.000 2.646 192 A HA 0.524 4.840 4.320 -0.007 0.000 0.312 192 A C -1.286 176.239 177.584 -0.098 0.000 1.245 192 A CA -0.817 51.182 52.037 -0.063 0.000 0.755 192 A CB 1.311 20.299 19.000 -0.020 0.000 1.132 192 A HN 0.218 nan 8.150 nan 0.000 0.458 193 P HA -0.194 nan 4.420 nan 0.000 0.213 193 P C 1.652 178.834 177.300 -0.197 0.000 1.170 193 P CA 0.908 63.916 63.100 -0.153 0.000 0.893 193 P CB 0.101 31.716 31.700 -0.140 0.000 0.784 194 L N -0.201 120.924 121.223 -0.163 0.000 1.976 194 L HA -0.260 4.076 4.340 -0.007 0.000 0.223 194 L C 2.855 179.648 176.870 -0.128 0.000 1.081 194 L CA 2.655 57.403 54.840 -0.154 0.000 0.784 194 L CB -1.889 40.124 42.059 -0.077 0.000 0.896 194 L HN 0.009 nan 8.230 nan 0.000 0.438 195 A N 0.303 123.063 122.820 -0.100 0.000 1.917 195 A HA -0.195 4.121 4.320 -0.007 0.000 0.219 195 A C 2.409 179.928 177.584 -0.107 0.000 1.182 195 A CA 2.070 54.049 52.037 -0.097 0.000 0.633 195 A CB -1.339 17.587 19.000 -0.124 0.000 0.819 195 A HN 0.528 nan 8.150 nan 0.000 0.448 196 G N -0.292 108.423 108.800 -0.142 0.000 2.440 196 G HA2 -0.201 3.755 3.960 -0.007 0.000 0.218 196 G HA3 -0.201 3.755 3.960 -0.007 0.000 0.218 196 G C 1.517 176.374 174.900 -0.071 0.000 1.154 196 G CA 1.240 46.267 45.100 -0.122 0.000 0.767 196 G HN 0.513 nan 8.290 nan 0.000 0.552 197 I N -0.051 120.436 120.570 -0.139 0.000 2.188 197 I HA -0.012 4.154 4.170 -0.007 0.000 0.237 197 I C 2.504 178.582 176.117 -0.064 0.000 1.073 197 I CA 0.183 61.400 61.300 -0.139 0.000 1.359 197 I CB -0.296 37.526 38.000 -0.297 0.000 1.083 197 I HN -0.009 nan 8.210 nan 0.000 0.412 198 L N 0.358 121.548 121.223 -0.055 0.000 2.283 198 L HA -0.285 4.051 4.340 -0.007 0.000 0.217 198 L C 2.433 179.306 176.870 0.005 0.000 1.104 198 L CA 2.030 56.857 54.840 -0.021 0.000 0.772 198 L CB -0.991 41.060 42.059 -0.013 0.000 0.899 198 L HN 0.271 nan 8.230 nan 0.000 0.439 199 F N 0.314 120.167 119.950 -0.162 0.000 2.053 199 F HA -0.186 4.337 4.527 -0.006 0.000 0.292 199 F C 2.334 178.022 175.800 -0.187 0.000 1.125 199 F CA 1.115 58.996 58.000 -0.199 0.000 1.193 199 F CB -0.483 38.354 39.000 -0.271 0.000 0.996 199 F HN -0.082 nan 8.300 nan 0.000 0.470 200 I N 1.400 121.808 120.570 -0.270 0.000 2.113 200 I HA -0.291 3.875 4.170 -0.007 0.000 0.242 200 I C 2.001 177.938 176.117 -0.301 0.000 1.057 200 I CA 1.784 62.882 61.300 -0.337 0.000 1.314 200 I CB -0.867 37.035 38.000 -0.164 0.000 1.022 200 I HN 0.355 nan 8.210 nan 0.000 0.408 201 I N -1.986 118.468 120.570 -0.193 0.000 3.784 201 I HA 0.157 4.323 4.170 -0.007 0.000 0.314 201 I C 1.013 177.034 176.117 -0.160 0.000 1.401 201 I CA 0.624 61.830 61.300 -0.158 0.000 1.254 201 I CB -0.399 37.548 38.000 -0.088 0.000 1.165 201 I HN 0.355 nan 8.210 nan 0.000 0.420 202 E N 0.476 120.541 120.200 -0.226 0.000 2.566 202 E HA -0.046 4.300 4.350 -0.007 0.000 0.193 202 E C 0.764 177.212 176.600 -0.253 0.000 0.945 202 E CA 0.290 56.577 56.400 -0.187 0.000 1.449 202 E CB 0.619 30.250 29.700 -0.115 0.000 1.654 202 E HN 0.557 nan 8.360 nan 0.000 0.844 203 E N -0.489 119.466 120.200 -0.409 0.000 3.952 203 E HA 0.159 4.505 4.350 -0.007 0.000 0.223 203 E C 1.682 177.999 176.600 -0.471 0.000 1.295 203 E CA 0.564 56.688 56.400 -0.459 0.000 1.670 203 E CB -0.232 29.073 29.700 -0.658 0.000 1.588 203 E HN 0.014 nan 8.360 nan 0.000 0.664 204 M N 1.858 121.053 119.600 -0.674 0.000 2.082 204 M HA -0.096 4.380 4.480 -0.007 0.000 0.258 204 M C 0.981 177.103 176.300 -0.297 0.000 1.069 204 M CA 1.337 56.355 55.300 -0.471 0.000 1.102 204 M CB -1.324 30.966 32.600 -0.517 0.000 1.336 204 M HN 0.104 nan 8.290 nan 0.000 0.404 205 R N 2.727 123.055 120.500 -0.287 0.000 2.585 205 R HA 0.115 4.452 4.340 -0.007 0.000 0.275 205 R C -2.403 173.774 176.300 -0.205 0.000 1.018 205 R CA -1.114 54.851 56.100 -0.224 0.000 1.072 205 R CB -1.003 29.171 30.300 -0.210 0.000 0.953 205 R HN 0.075 nan 8.270 nan 0.000 0.419 206 P HA -0.122 nan 4.420 nan 0.000 0.256 206 P C -0.451 176.750 177.300 -0.166 0.000 1.173 206 P CA 0.359 63.393 63.100 -0.109 0.000 0.768 206 P CB 0.821 32.472 31.700 -0.082 0.000 0.758 207 Q N 2.377 122.013 119.800 -0.274 0.000 2.364 207 Q HA -0.038 4.298 4.340 -0.007 0.000 0.207 207 Q C 0.490 175.932 176.000 -0.930 0.000 0.970 207 Q CA 1.627 57.021 55.803 -0.682 0.000 0.888 207 Q CB -0.349 27.792 28.738 -0.994 0.000 0.951 207 Q HN 0.504 nan 8.270 nan 0.000 0.469 208 F N -0.745 119.193 119.950 -0.020 0.000 2.729 208 F HA 0.329 4.852 4.527 -0.007 0.000 0.315 208 F C -0.145 175.666 175.800 0.018 0.000 1.102 208 F CA -0.580 57.420 58.000 0.001 0.000 1.204 208 F CB 0.478 39.480 39.000 0.004 0.000 1.052 208 F HN -0.151 nan 8.300 nan 0.000 0.551 209 R N -1.129 119.447 120.500 0.128 0.000 2.515 209 R HA 0.305 4.641 4.340 -0.007 0.000 0.278 209 R C -1.081 175.286 176.300 0.111 0.000 1.107 209 R CA -0.937 55.244 56.100 0.135 0.000 0.945 209 R CB 0.461 30.848 30.300 0.145 0.000 1.219 209 R HN 0.024 nan 8.270 nan 0.000 0.434 210 Y N 2.402 122.720 120.300 0.029 0.000 3.073 210 Y HA -0.074 4.472 4.550 -0.006 0.000 0.344 210 Y C -0.654 175.269 175.900 0.040 0.000 1.277 210 Y CA 1.692 59.805 58.100 0.022 0.000 1.534 210 Y CB 0.660 39.134 38.460 0.023 0.000 1.273 210 Y HN 0.797 nan 8.280 nan 0.000 0.633 211 T N 6.024 120.179 114.554 -0.665 0.000 2.883 211 T HA 0.351 4.697 4.350 -0.007 0.000 0.296 211 T C -0.448 174.063 174.700 -0.315 0.000 1.117 211 T CA -0.933 61.004 62.100 -0.271 0.000 1.006 211 T CB 1.283 70.070 68.868 -0.136 0.000 1.191 211 T HN 0.432 nan 8.240 nan 0.000 0.508 212 L N 1.161 122.395 121.223 0.017 0.000 2.862 212 L HA 0.382 4.718 4.340 -0.007 0.000 0.240 212 L C -0.132 176.750 176.870 0.019 0.000 1.283 212 L CA 0.424 55.282 54.840 0.030 0.000 1.117 212 L CB -1.243 40.825 42.059 0.015 0.000 1.444 212 L HN 0.473 nan 8.230 nan 0.000 0.456 213 I N -0.751 119.802 120.570 -0.029 0.000 2.304 213 I HA 0.155 4.321 4.170 -0.007 0.000 0.291 213 I C 0.723 176.826 176.117 -0.022 0.000 1.018 213 I CA -0.155 61.139 61.300 -0.010 0.000 1.260 213 I CB 1.217 39.192 38.000 -0.040 0.000 1.390 213 I HN 0.069 nan 8.210 nan 0.000 0.475 214 S N 6.412 122.115 115.700 0.006 0.000 2.416 214 S HA 0.344 4.810 4.470 -0.007 0.000 0.287 214 S C 1.267 175.881 174.600 0.025 0.000 1.139 214 S CA -0.556 57.651 58.200 0.012 0.000 1.058 214 S CB 0.300 63.511 63.200 0.019 0.000 0.967 214 S HN 0.530 nan 8.310 nan 0.000 0.495 215 I N 4.969 125.554 120.570 0.026 0.000 2.058 215 I HA -0.213 3.953 4.170 -0.007 0.000 0.235 215 I C 2.645 178.826 176.117 0.107 0.000 1.053 215 I CA 1.428 62.773 61.300 0.075 0.000 1.313 215 I CB -0.384 37.653 38.000 0.061 0.000 1.039 215 I HN 0.710 nan 8.210 nan 0.000 0.396 216 K N 0.949 121.352 120.400 0.006 0.000 2.207 216 K HA -0.297 4.019 4.320 -0.007 0.000 0.208 216 K C 1.947 178.578 176.600 0.052 0.000 1.046 216 K CA 1.842 58.102 56.287 -0.044 0.000 0.929 216 K CB -0.119 32.336 32.500 -0.076 0.000 0.720 216 K HN 0.432 nan 8.250 nan 0.000 0.463 217 A N 0.220 123.076 122.820 0.059 0.000 1.897 217 A HA -0.058 4.258 4.320 -0.007 0.000 0.215 217 A C 2.196 179.828 177.584 0.081 0.000 1.181 217 A CA 1.336 53.408 52.037 0.058 0.000 0.620 217 A CB -0.436 18.588 19.000 0.040 0.000 0.821 217 A HN 0.148 nan 8.150 nan 0.000 0.443 218 V N -0.851 119.123 119.914 0.101 0.000 2.233 218 V HA -0.274 3.842 4.120 -0.007 0.000 0.247 218 V C 2.231 178.395 176.094 0.116 0.000 1.050 218 V CA 2.245 64.594 62.300 0.082 0.000 1.010 218 V CB -1.129 30.735 31.823 0.068 0.000 0.637 218 V HN 0.514 nan 8.190 nan 0.000 0.444 219 F N 0.068 120.005 119.950 -0.021 0.000 2.037 219 F HA -0.309 4.215 4.527 -0.006 0.000 0.296 219 F C 2.294 178.083 175.800 -0.018 0.000 1.132 219 F CA 2.364 60.353 58.000 -0.017 0.000 1.211 219 F CB -0.861 38.131 39.000 -0.013 0.000 0.951 219 F HN 0.023 nan 8.300 nan 0.000 0.503 220 I N -0.340 120.361 120.570 0.217 0.000 2.147 220 I HA -0.399 3.767 4.170 -0.007 0.000 0.245 220 I C 2.657 178.796 176.117 0.037 0.000 1.059 220 I CA 1.719 63.077 61.300 0.097 0.000 1.320 220 I CB -1.380 36.653 38.000 0.055 0.000 1.021 220 I HN 0.337 nan 8.210 nan 0.000 0.415 221 G N 0.370 109.183 108.800 0.022 0.000 2.433 221 G HA2 -0.180 3.776 3.960 -0.007 0.000 0.216 221 G HA3 -0.180 3.776 3.960 -0.007 0.000 0.216 221 G C 1.679 176.564 174.900 -0.026 0.000 1.186 221 G CA 0.998 46.089 45.100 -0.015 0.000 0.779 221 G HN 0.257 nan 8.290 nan 0.000 0.543 222 V N 1.291 121.180 119.914 -0.041 0.000 2.231 222 V HA -0.225 3.891 4.120 -0.007 0.000 0.248 222 V C 2.767 178.832 176.094 -0.049 0.000 1.054 222 V CA 1.808 64.062 62.300 -0.077 0.000 1.015 222 V CB -0.565 31.160 31.823 -0.164 0.000 0.638 222 V HN 0.389 nan 8.190 nan 0.000 0.444 223 I N -0.888 119.666 120.570 -0.027 0.000 2.068 223 I HA -0.358 3.808 4.170 -0.007 0.000 0.238 223 I C 2.690 178.817 176.117 0.017 0.000 1.046 223 I CA 1.866 63.171 61.300 0.008 0.000 1.306 223 I CB -0.426 37.604 38.000 0.050 0.000 1.023 223 I HN 0.275 nan 8.210 nan 0.000 0.399 224 M N 0.678 120.284 119.600 0.010 0.000 2.124 224 M HA -0.272 4.204 4.480 -0.007 0.000 0.253 224 M C 2.636 178.947 176.300 0.018 0.000 1.077 224 M CA 2.572 57.875 55.300 0.005 0.000 1.085 224 M CB -1.781 30.805 32.600 -0.024 0.000 1.320 224 M HN 0.510 nan 8.290 nan 0.000 0.404 225 S N -1.222 114.482 115.700 0.008 0.000 2.345 225 S HA -0.110 4.356 4.470 -0.007 0.000 0.219 225 S C 1.944 176.586 174.600 0.071 0.000 1.031 225 S CA 1.799 60.013 58.200 0.023 0.000 0.984 225 S CB -1.066 62.131 63.200 -0.005 0.000 0.874 225 S HN 0.473 nan 8.310 nan 0.000 0.451 226 T N 2.521 117.105 114.554 0.050 0.000 2.721 226 T HA -0.077 4.269 4.350 -0.007 0.000 0.268 226 T C 1.610 176.402 174.700 0.154 0.000 1.038 226 T CA 1.675 63.828 62.100 0.088 0.000 1.145 226 T CB -0.556 68.332 68.868 0.033 0.000 0.858 226 T HN 0.283 nan 8.240 nan 0.000 0.459 227 I N 0.896 121.532 120.570 0.109 0.000 2.133 227 I HA -0.103 4.063 4.170 -0.007 0.000 0.238 227 I C 2.362 178.572 176.117 0.154 0.000 1.074 227 I CA 1.198 62.566 61.300 0.113 0.000 1.342 227 I CB -0.530 37.517 38.000 0.078 0.000 1.053 227 I HN 0.169 nan 8.210 nan 0.000 0.404 228 M N -0.892 118.796 119.600 0.148 0.000 2.146 228 M HA -0.311 4.165 4.480 -0.007 0.000 0.256 228 M C 2.451 178.895 176.300 0.240 0.000 1.075 228 M CA 1.949 57.360 55.300 0.186 0.000 1.082 228 M CB -1.568 31.086 32.600 0.091 0.000 1.355 228 M HN 0.372 nan 8.290 nan 0.000 0.402 229 Y N 0.614 120.967 120.300 0.087 0.000 2.314 229 Y HA -0.076 4.470 4.550 -0.007 0.000 0.293 229 Y C 2.313 178.276 175.900 0.105 0.000 1.129 229 Y CA 1.371 59.517 58.100 0.076 0.000 1.201 229 Y CB -0.037 38.447 38.460 0.039 0.000 0.999 229 Y HN 0.058 nan 8.280 nan 0.000 0.541 230 R N 0.009 120.592 120.500 0.139 0.000 2.148 230 R HA -0.044 4.292 4.340 -0.007 0.000 0.223 230 R C 1.806 178.111 176.300 0.009 0.000 1.088 230 R CA 0.837 56.966 56.100 0.048 0.000 0.985 230 R CB -0.273 30.099 30.300 0.121 0.000 0.880 230 R HN 0.400 nan 8.270 nan 0.000 0.451 231 I N -0.347 120.274 120.570 0.086 0.000 2.676 231 I HA -0.127 4.039 4.170 -0.007 0.000 0.259 231 I C 1.186 177.136 176.117 -0.278 0.000 1.194 231 I CA 1.187 62.476 61.300 -0.018 0.000 1.473 231 I CB -0.540 37.462 38.000 0.004 0.000 1.096 231 I HN -0.024 nan 8.210 nan 0.000 0.443 232 F N -0.353 119.416 119.950 -0.303 0.000 2.740 232 F HA 0.250 4.772 4.527 -0.007 0.000 0.304 232 F C 1.551 176.886 175.800 -0.774 0.000 1.098 232 F CA -0.079 57.645 58.000 -0.460 0.000 1.258 232 F CB -0.243 38.606 39.000 -0.251 0.000 1.061 232 F HN -0.002 nan 8.300 nan 0.000 0.598 233 N N 0.543 118.874 118.700 -0.614 0.000 2.321 233 N HA 0.020 4.756 4.740 -0.007 0.000 0.242 233 N C -0.572 174.676 175.510 -0.436 0.000 1.141 233 N CA -0.041 52.613 53.050 -0.660 0.000 0.864 233 N CB -0.064 37.730 38.487 -1.154 0.000 1.100 233 N HN 0.311 nan 8.380 nan 0.000 0.510 234 H N 0.522 119.502 119.070 -0.149 0.000 3.064 234 H HA 0.036 4.588 4.556 -0.007 0.000 0.329 234 H C 0.355 175.648 175.328 -0.057 0.000 1.020 234 H CA 0.251 56.247 56.048 -0.087 0.000 1.402 234 H CB 0.031 29.743 29.762 -0.083 0.000 1.379 234 H HN 0.150 nan 8.280 nan 0.000 0.594 235 E N -0.289 119.986 120.200 0.126 0.000 2.694 235 E HA -0.128 4.218 4.350 -0.007 0.000 0.272 235 E C -1.259 175.373 176.600 0.053 0.000 1.040 235 E CA 0.745 57.193 56.400 0.079 0.000 0.809 235 E CB -0.999 28.744 29.700 0.071 0.000 1.389 235 E HN 0.461 nan 8.360 nan 0.000 0.413 236 V N 0.174 120.111 119.914 0.038 0.000 2.735 236 V HA 0.392 4.508 4.120 -0.007 0.000 0.276 236 V C 0.297 176.404 176.094 0.022 0.000 1.083 236 V CA -0.103 62.209 62.300 0.021 0.000 0.923 236 V CB 1.368 33.198 31.823 0.012 0.000 1.053 236 V HN 0.378 nan 8.190 nan 0.000 0.471 237 A N 4.181 127.009 122.820 0.013 0.000 2.504 237 A HA 0.409 4.725 4.320 -0.007 0.000 0.242 237 A C 1.072 178.628 177.584 -0.046 0.000 1.100 237 A CA 0.583 52.618 52.037 -0.002 0.000 0.786 237 A CB 0.314 19.303 19.000 -0.018 0.000 1.050 237 A HN 0.862 nan 8.150 nan 0.000 0.512 238 L N -0.819 120.336 121.223 -0.114 0.000 2.408 238 L HA 0.279 4.615 4.340 -0.007 0.000 0.215 238 L C 0.017 176.710 176.870 -0.295 0.000 1.081 238 L CA 0.733 55.416 54.840 -0.261 0.000 0.840 238 L CB 0.064 41.853 42.059 -0.450 0.000 1.002 238 L HN 0.590 nan 8.230 nan 0.000 0.468 239 I N -0.276 120.175 120.570 -0.199 0.000 2.796 239 I HA 0.138 4.304 4.170 -0.007 0.000 0.277 239 I C -0.936 175.139 176.117 -0.069 0.000 1.331 239 I CA -0.468 60.747 61.300 -0.141 0.000 0.983 239 I CB 1.197 39.111 38.000 -0.143 0.000 1.410 239 I HN -0.105 nan 8.210 nan 0.000 0.561 240 D N 3.272 123.642 120.400 -0.050 0.000 2.390 240 D HA 0.237 4.873 4.640 -0.007 0.000 0.249 240 D C 0.481 176.771 176.300 -0.018 0.000 1.144 240 D CA 0.360 54.344 54.000 -0.027 0.000 0.880 240 D CB 2.052 42.840 40.800 -0.020 0.000 1.182 240 D HN 0.225 nan 8.370 nan 0.000 0.451 241 V N 2.020 121.928 119.914 -0.010 0.000 3.432 241 V HA 0.271 4.387 4.120 -0.007 0.000 0.290 241 V C 0.877 176.972 176.094 0.001 0.000 1.591 241 V CA 0.092 62.390 62.300 -0.003 0.000 1.069 241 V CB -0.094 31.731 31.823 0.003 0.000 0.892 241 V HN 0.892 nan 8.190 nan 0.000 0.436 242 G N 1.783 110.583 108.800 0.000 0.000 2.901 242 G HA2 -0.254 3.702 3.960 -0.007 0.000 0.654 242 G HA3 -0.254 3.702 3.960 -0.007 0.000 0.654 242 G C -0.396 174.508 174.900 0.006 0.000 1.550 242 G CA -0.111 44.991 45.100 0.003 0.000 0.978 242 G HN 0.396 nan 8.290 nan 0.000 0.566 243 K N 0.785 121.189 120.400 0.007 0.000 2.351 243 K HA 0.338 4.654 4.320 -0.007 0.000 0.287 243 K C 1.331 177.937 176.600 0.009 0.000 1.068 243 K CA -0.223 56.069 56.287 0.007 0.000 0.998 243 K CB -0.035 32.470 32.500 0.008 0.000 0.968 243 K HN 0.415 nan 8.250 nan 0.000 0.464 244 L N 2.150 123.377 121.223 0.007 0.000 2.470 244 L HA 0.157 4.493 4.340 -0.007 0.000 0.243 244 L C 1.043 177.920 176.870 0.012 0.000 1.227 244 L CA 0.150 54.998 54.840 0.014 0.000 0.824 244 L CB 0.409 42.475 42.059 0.012 0.000 1.175 244 L HN 0.868 nan 8.230 nan 0.000 0.503 245 S N -0.650 115.065 115.700 0.025 0.000 2.633 245 S HA 0.143 4.610 4.470 -0.007 0.000 0.257 245 S C -0.150 174.450 174.600 -0.001 0.000 1.265 245 S CA -0.702 57.513 58.200 0.025 0.000 0.980 245 S CB 0.912 64.145 63.200 0.055 0.000 1.017 245 S HN 0.502 nan 8.310 nan 0.000 0.577 246 D N 0.136 120.533 120.400 -0.006 0.000 2.496 246 D HA 0.710 5.346 4.640 -0.007 0.000 0.283 246 D C -0.562 175.706 176.300 -0.054 0.000 1.214 246 D CA 0.024 54.001 54.000 -0.039 0.000 1.089 246 D CB 0.540 41.320 40.800 -0.034 0.000 1.141 246 D HN 0.866 nan 8.370 nan 0.000 0.580 247 A N 0.805 123.570 122.820 -0.092 0.000 2.679 247 A HA 0.469 4.785 4.320 -0.007 0.000 0.288 247 A C -2.578 174.943 177.584 -0.105 0.000 1.160 247 A CA -1.032 50.938 52.037 -0.113 0.000 0.763 247 A CB 0.588 19.430 19.000 -0.263 0.000 1.270 247 A HN 0.292 nan 8.150 nan 0.000 0.417 248 P HA 0.183 nan 4.420 nan 0.000 0.271 248 P C 0.930 178.176 177.300 -0.091 0.000 1.244 248 P CA -0.382 62.672 63.100 -0.076 0.000 0.793 248 P CB 0.748 32.408 31.700 -0.067 0.000 0.984 249 L N 0.391 121.572 121.223 -0.071 0.000 2.141 249 L HA -0.136 4.200 4.340 -0.007 0.000 0.209 249 L C 2.196 179.046 176.870 -0.032 0.000 1.094 249 L CA 1.459 56.270 54.840 -0.048 0.000 0.763 249 L CB -1.103 40.937 42.059 -0.032 0.000 0.908 249 L HN 0.481 nan 8.230 nan 0.000 0.437 250 N N 0.162 118.808 118.700 -0.090 0.000 2.585 250 N HA -0.168 4.568 4.740 -0.007 0.000 0.188 250 N C 1.356 176.699 175.510 -0.279 0.000 1.102 250 N CA 1.615 54.586 53.050 -0.132 0.000 0.920 250 N CB -0.574 37.819 38.487 -0.157 0.000 0.963 250 N HN 0.421 nan 8.380 nan 0.000 0.447 251 T N -3.059 111.326 114.554 -0.282 0.000 3.129 251 T HA 0.314 4.660 4.350 -0.007 0.000 0.267 251 T C 1.556 176.283 174.700 0.044 0.000 1.018 251 T CA -0.476 61.461 62.100 -0.272 0.000 0.903 251 T CB -0.296 68.450 68.868 -0.203 0.000 1.067 251 T HN 0.040 nan 8.240 nan 0.000 0.549 252 L N 0.472 121.779 121.223 0.139 0.000 2.044 252 L HA 0.091 4.427 4.340 -0.007 0.000 0.205 252 L C 2.932 179.959 176.870 0.261 0.000 1.075 252 L CA 1.451 56.398 54.840 0.179 0.000 0.747 252 L CB -0.484 41.626 42.059 0.085 0.000 0.903 252 L HN 0.575 nan 8.230 nan 0.000 0.435 253 W N 0.507 121.854 121.300 0.078 0.000 2.331 253 W HA -0.215 4.442 4.660 -0.005 0.000 0.291 253 W C 1.745 178.340 176.519 0.127 0.000 1.214 253 W CA 0.681 58.079 57.345 0.088 0.000 1.228 253 W CB -1.473 28.026 29.460 0.066 0.000 1.135 253 W HN 0.160 nan 8.180 nan 0.000 0.537 254 L N -0.083 120.729 121.223 -0.686 0.000 2.127 254 L HA -0.267 4.069 4.340 -0.007 0.000 0.211 254 L C 2.589 179.298 176.870 -0.268 0.000 1.089 254 L CA 1.789 56.282 54.840 -0.578 0.000 0.757 254 L CB -1.120 40.663 42.059 -0.460 0.000 0.899 254 L HN -0.101 nan 8.230 nan 0.000 0.434 255 Y N -1.008 119.222 120.300 -0.116 0.000 2.373 255 Y HA -0.176 4.370 4.550 -0.006 0.000 0.293 255 Y C 2.165 177.985 175.900 -0.133 0.000 1.129 255 Y CA 0.533 58.535 58.100 -0.164 0.000 1.226 255 Y CB -0.205 38.129 38.460 -0.210 0.000 1.000 255 Y HN 0.078 nan 8.280 nan 0.000 0.549 256 L N 0.037 121.310 121.223 0.084 0.000 1.988 256 L HA -0.180 4.156 4.340 -0.007 0.000 0.207 256 L C 2.063 178.963 176.870 0.050 0.000 1.071 256 L CA 1.583 56.473 54.840 0.084 0.000 0.744 256 L CB -1.036 41.115 42.059 0.153 0.000 0.893 256 L HN 0.078 nan 8.230 nan 0.000 0.433 257 I N -0.207 120.401 120.570 0.064 0.000 2.091 257 I HA -0.345 3.821 4.170 -0.007 0.000 0.240 257 I C 2.654 178.741 176.117 -0.050 0.000 1.046 257 I CA 1.924 63.271 61.300 0.078 0.000 1.306 257 I CB -1.569 36.529 38.000 0.163 0.000 1.018 257 I HN 0.399 nan 8.210 nan 0.000 0.404 258 L N 1.283 122.269 121.223 -0.395 0.000 2.089 258 L HA -0.160 4.176 4.340 -0.007 0.000 0.213 258 L C 2.387 179.271 176.870 0.024 0.000 1.079 258 L CA 2.342 56.873 54.840 -0.515 0.000 0.758 258 L CB -1.006 40.546 42.059 -0.846 0.000 0.891 258 L HN 0.259 nan 8.230 nan 0.000 0.433 259 G N -0.368 108.436 108.800 0.007 0.000 2.404 259 G HA2 -0.228 3.728 3.960 -0.007 0.000 0.215 259 G HA3 -0.228 3.728 3.960 -0.007 0.000 0.215 259 G C 1.578 176.561 174.900 0.139 0.000 1.174 259 G CA 1.049 46.192 45.100 0.072 0.000 0.780 259 G HN 0.490 nan 8.290 nan 0.000 0.537 260 I N 0.681 121.312 120.570 0.102 0.000 2.208 260 I HA -0.202 3.964 4.170 -0.007 0.000 0.245 260 I C 2.675 178.873 176.117 0.134 0.000 1.097 260 I CA 0.912 62.280 61.300 0.113 0.000 1.363 260 I CB -0.269 37.801 38.000 0.118 0.000 1.051 260 I HN 0.167 nan 8.210 nan 0.000 0.413 261 I N 0.064 120.710 120.570 0.128 0.000 2.142 261 I HA -0.309 3.858 4.170 -0.007 0.000 0.240 261 I C 2.453 178.634 176.117 0.106 0.000 1.078 261 I CA 1.721 63.075 61.300 0.090 0.000 1.343 261 I CB -0.465 37.551 38.000 0.027 0.000 1.046 261 I HN 0.049 nan 8.210 nan 0.000 0.405 262 F N 1.181 121.161 119.950 0.050 0.000 2.154 262 F HA -0.191 4.332 4.527 -0.007 0.000 0.301 262 F C 2.529 178.395 175.800 0.109 0.000 1.087 262 F CA 1.703 59.761 58.000 0.097 0.000 1.274 262 F CB -1.027 37.989 39.000 0.028 0.000 1.009 262 F HN 0.054 nan 8.300 nan 0.000 0.485 263 G N 0.511 109.455 108.800 0.240 0.000 2.418 263 G HA2 -0.241 3.715 3.960 -0.007 0.000 0.217 263 G HA3 -0.241 3.715 3.960 -0.007 0.000 0.217 263 G C 1.663 176.627 174.900 0.107 0.000 1.158 263 G CA 1.119 46.300 45.100 0.135 0.000 0.771 263 G HN 0.547 nan 8.290 nan 0.000 0.545 264 I N -3.119 117.525 120.570 0.124 0.000 2.500 264 I HA 0.227 4.393 4.170 -0.007 0.000 0.252 264 I C 2.377 178.545 176.117 0.085 0.000 1.142 264 I CA 0.768 62.129 61.300 0.102 0.000 1.451 264 I CB -0.245 37.825 38.000 0.117 0.000 1.093 264 I HN 0.048 nan 8.210 nan 0.000 0.430 265 F N 2.758 122.702 119.950 -0.011 0.000 2.456 265 F HA 0.296 4.820 4.527 -0.004 0.000 0.298 265 F C 2.195 177.970 175.800 -0.042 0.000 1.104 265 F CA 0.689 58.653 58.000 -0.059 0.000 1.435 265 F CB -0.468 38.474 39.000 -0.097 0.000 1.078 265 F HN 0.065 nan 8.300 nan 0.000 0.546 266 G N 2.061 110.825 108.800 -0.060 0.000 2.545 266 G HA2 -0.266 3.690 3.960 -0.007 0.000 0.217 266 G HA3 -0.266 3.690 3.960 -0.007 0.000 0.217 266 G C -0.505 174.298 174.900 -0.160 0.000 1.218 266 G CA 1.122 46.183 45.100 -0.066 0.000 0.787 266 G HN 0.330 nan 8.290 nan 0.000 0.571 267 P HA -0.073 nan 4.420 nan 0.000 0.216 267 P C 2.109 179.261 177.300 -0.247 0.000 1.153 267 P CA 1.053 64.082 63.100 -0.118 0.000 0.848 267 P CB -0.121 31.547 31.700 -0.053 0.000 0.787 268 I N -1.075 119.271 120.570 -0.374 0.000 2.113 268 I HA -0.288 3.878 4.170 -0.007 0.000 0.242 268 I C 2.558 178.051 176.117 -1.041 0.000 1.064 268 I CA 1.730 62.664 61.300 -0.609 0.000 1.320 268 I CB -0.873 36.735 38.000 -0.653 0.000 1.028 268 I HN -0.161 nan 8.210 nan 0.000 0.406 269 F N 1.842 121.006 119.950 -1.310 0.000 2.202 269 F HA -0.247 4.277 4.527 -0.006 0.000 0.301 269 F C 2.101 177.628 175.800 -0.455 0.000 1.082 269 F CA 1.862 59.209 58.000 -1.088 0.000 1.313 269 F CB -0.613 37.816 39.000 -0.951 0.000 1.024 269 F HN 0.122 nan 8.300 nan 0.000 0.495 270 N N -0.332 118.176 118.700 -0.321 0.000 2.216 270 N HA -0.155 4.581 4.740 -0.007 0.000 0.183 270 N C 1.718 177.144 175.510 -0.140 0.000 1.017 270 N CA 0.914 53.869 53.050 -0.157 0.000 0.861 270 N CB -0.023 38.430 38.487 -0.057 0.000 0.986 270 N HN 0.295 nan 8.380 nan 0.000 0.428 271 K N 0.422 120.727 120.400 -0.157 0.000 1.991 271 K HA -0.161 4.155 4.320 -0.007 0.000 0.212 271 K C 1.727 178.380 176.600 0.089 0.000 1.049 271 K CA 1.287 57.564 56.287 -0.016 0.000 0.932 271 K CB -0.213 32.304 32.500 0.029 0.000 0.717 271 K HN 0.213 nan 8.250 nan 0.000 0.441 272 W N 0.841 122.030 121.300 -0.184 0.000 2.277 272 W HA -0.242 4.413 4.660 -0.008 0.000 0.330 272 W C 2.277 178.660 176.519 -0.227 0.000 1.263 272 W CA 0.503 57.720 57.345 -0.213 0.000 1.211 272 W CB -1.542 27.737 29.460 -0.301 0.000 1.167 272 W HN -0.032 nan 8.180 nan 0.000 0.459 273 V N 0.593 120.438 119.914 -0.115 0.000 2.311 273 V HA -0.330 3.786 4.120 -0.007 0.000 0.256 273 V C 2.173 178.263 176.094 -0.007 0.000 1.077 273 V CA 2.334 64.581 62.300 -0.088 0.000 1.067 273 V CB -0.883 30.873 31.823 -0.111 0.000 0.659 273 V HN 0.121 nan 8.190 nan 0.000 0.451 274 L N 0.767 121.984 121.223 -0.009 0.000 1.961 274 L HA 0.161 4.497 4.340 -0.007 0.000 0.209 274 L C 2.665 179.540 176.870 0.007 0.000 1.075 274 L CA 2.525 57.364 54.840 -0.002 0.000 0.749 274 L CB -1.742 40.317 42.059 0.000 0.000 0.890 274 L HN 0.372 nan 8.230 nan 0.000 0.433 275 G N -1.005 107.811 108.800 0.026 0.000 2.529 275 G HA2 -0.406 3.550 3.960 -0.007 0.000 0.219 275 G HA3 -0.406 3.550 3.960 -0.007 0.000 0.219 275 G C 1.615 176.523 174.900 0.014 0.000 1.177 275 G CA 1.304 46.418 45.100 0.023 0.000 0.773 275 G HN 0.358 nan 8.290 nan 0.000 0.573 276 M N 1.697 121.307 119.600 0.018 0.000 2.146 276 M HA -0.235 4.241 4.480 -0.007 0.000 0.256 276 M C 2.646 178.962 176.300 0.026 0.000 1.075 276 M CA 2.455 57.761 55.300 0.010 0.000 1.082 276 M CB -0.610 31.999 32.600 0.015 0.000 1.355 276 M HN 0.625 nan 8.290 nan 0.000 0.402 277 Q N -2.065 117.747 119.800 0.020 0.000 2.378 277 Q HA -0.107 4.229 4.340 -0.007 0.000 0.205 277 Q C 0.994 177.027 176.000 0.055 0.000 0.954 277 Q CA 1.285 57.109 55.803 0.034 0.000 0.901 277 Q CB -0.270 28.454 28.738 -0.023 0.000 0.981 277 Q HN 0.496 nan 8.270 nan 0.000 0.483 278 D N 1.616 122.033 120.400 0.028 0.000 2.154 278 D HA -0.072 4.564 4.640 -0.007 0.000 0.211 278 D C 1.945 178.266 176.300 0.035 0.000 0.977 278 D CA 0.621 54.638 54.000 0.029 0.000 0.869 278 D CB -0.222 40.582 40.800 0.006 0.000 1.022 278 D HN 0.219 nan 8.370 nan 0.000 0.461 279 L N 0.792 122.019 121.223 0.007 0.000 2.450 279 L HA -0.132 4.204 4.340 -0.007 0.000 0.225 279 L C 1.882 178.737 176.870 -0.025 0.000 1.145 279 L CA 0.741 55.570 54.840 -0.019 0.000 0.801 279 L CB 0.035 42.080 42.059 -0.024 0.000 0.924 279 L HN 0.005 nan 8.230 nan 0.000 0.447 280 L N -1.961 119.272 121.223 0.017 0.000 2.590 280 L HA -0.044 4.292 4.340 -0.007 0.000 0.227 280 L C 2.047 178.914 176.870 -0.005 0.000 1.099 280 L CA 0.003 54.868 54.840 0.041 0.000 0.872 280 L CB -0.105 42.029 42.059 0.126 0.000 1.088 280 L HN 0.279 nan 8.230 nan 0.000 0.479 281 H N 0.333 119.294 119.070 -0.181 0.000 2.462 281 H HA -0.072 4.480 4.556 -0.007 0.000 0.292 281 H C 2.146 176.957 175.328 -0.862 0.000 1.049 281 H CA 1.418 57.169 56.048 -0.496 0.000 1.334 281 H CB 0.251 29.890 29.762 -0.204 0.000 1.404 281 H HN 0.069 nan 8.280 nan 0.000 0.544 282 R N -0.353 119.847 120.500 -0.500 0.000 2.109 282 R HA -0.115 4.221 4.340 -0.007 0.000 0.227 282 R C 2.445 178.410 176.300 -0.558 0.000 1.132 282 R CA 1.692 57.513 56.100 -0.465 0.000 0.907 282 R CB -0.981 29.176 30.300 -0.239 0.000 0.825 282 R HN 0.113 nan 8.270 nan 0.000 0.432 283 V N 1.864 121.549 119.914 -0.383 0.000 2.310 283 V HA -0.392 3.725 4.120 -0.007 0.000 0.263 283 V C 2.205 178.115 176.094 -0.306 0.000 1.108 283 V CA 2.520 64.661 62.300 -0.265 0.000 1.104 283 V CB -0.985 30.764 31.823 -0.124 0.000 0.736 283 V HN 0.640 nan 8.190 nan 0.000 0.456 284 H N -1.643 117.185 119.070 -0.402 0.000 2.750 284 H HA 0.316 4.868 4.556 -0.007 0.000 0.263 284 H C 1.976 177.037 175.328 -0.446 0.000 0.964 284 H CA 1.084 56.871 56.048 -0.434 0.000 1.205 284 H CB 0.334 29.697 29.762 -0.666 0.000 1.454 284 H HN 0.497 nan 8.280 nan 0.000 0.503 285 G N 0.991 109.251 108.800 -0.899 0.000 2.530 285 G HA2 -0.364 3.592 3.960 -0.007 0.000 0.247 285 G HA3 -0.364 3.592 3.960 -0.007 0.000 0.247 285 G C 1.263 175.782 174.900 -0.634 0.000 1.067 285 G CA 1.331 46.012 45.100 -0.698 0.000 0.650 285 G HN 1.295 nan 8.290 nan 0.000 0.531 286 G N -0.802 107.806 108.800 -0.321 0.000 3.288 286 G HA2 0.041 3.997 3.960 -0.007 0.000 0.219 286 G HA3 0.041 3.997 3.960 -0.007 0.000 0.219 286 G C -0.130 174.854 174.900 0.140 0.000 0.944 286 G CA 0.661 45.770 45.100 0.014 0.000 0.854 286 G HN 1.378 nan 8.290 nan 0.000 0.632 287 N N 1.016 119.744 118.700 0.046 0.000 2.483 287 N HA 0.310 5.046 4.740 -0.007 0.000 0.264 287 N C 1.575 177.202 175.510 0.194 0.000 1.197 287 N CA 0.100 53.202 53.050 0.087 0.000 0.927 287 N CB 0.523 39.019 38.487 0.016 0.000 1.065 287 N HN 0.183 nan 8.380 nan 0.000 0.461 288 I N 2.424 123.115 120.570 0.201 0.000 2.226 288 I HA -0.285 3.881 4.170 -0.007 0.000 0.245 288 I C 1.253 177.466 176.117 0.160 0.000 1.100 288 I CA 1.286 62.727 61.300 0.236 0.000 1.374 288 I CB -0.023 38.080 38.000 0.171 0.000 1.057 288 I HN 0.638 nan 8.210 nan 0.000 0.413 289 T N 0.301 114.897 114.554 0.071 0.000 2.951 289 T HA -0.113 4.233 4.350 -0.007 0.000 0.268 289 T C 1.782 176.500 174.700 0.030 0.000 1.073 289 T CA 0.850 62.958 62.100 0.014 0.000 1.134 289 T CB -0.057 68.802 68.868 -0.016 0.000 0.884 289 T HN 0.314 nan 8.240 nan 0.000 0.479 290 K N -0.482 119.948 120.400 0.050 0.000 2.366 290 K HA -0.008 4.308 4.320 -0.007 0.000 0.198 290 K C 1.693 178.323 176.600 0.050 0.000 1.044 290 K CA 0.384 56.687 56.287 0.027 0.000 0.973 290 K CB 0.091 32.589 32.500 -0.003 0.000 0.767 290 K HN 0.345 nan 8.250 nan 0.000 0.475 291 W N 0.777 122.043 121.300 -0.057 0.000 2.681 291 W HA -0.061 4.594 4.660 -0.007 0.000 0.311 291 W C 1.902 178.270 176.519 -0.251 0.000 1.100 291 W CA 0.083 57.309 57.345 -0.198 0.000 1.504 291 W CB -0.851 28.494 29.460 -0.191 0.000 1.201 291 W HN -0.327 nan 8.180 nan 0.000 0.488 292 V N 1.790 121.786 119.914 0.136 0.000 2.311 292 V HA -0.375 3.741 4.120 -0.007 0.000 0.259 292 V C 2.362 178.402 176.094 -0.090 0.000 1.086 292 V CA 2.139 64.432 62.300 -0.012 0.000 1.078 292 V CB -1.223 30.587 31.823 -0.021 0.000 0.668 292 V HN 0.174 nan 8.190 nan 0.000 0.452 293 L N -1.605 119.591 121.223 -0.046 0.000 2.044 293 L HA -0.148 4.188 4.340 -0.007 0.000 0.205 293 L C 2.423 179.257 176.870 -0.060 0.000 1.075 293 L CA 1.908 56.726 54.840 -0.037 0.000 0.747 293 L CB -0.434 41.618 42.059 -0.012 0.000 0.903 293 L HN 0.339 nan 8.230 nan 0.000 0.435 294 M N -0.178 119.383 119.600 -0.065 0.000 2.539 294 M HA -0.096 4.380 4.480 -0.007 0.000 0.261 294 M C 1.758 177.933 176.300 -0.207 0.000 1.069 294 M CA 1.355 56.615 55.300 -0.067 0.000 1.081 294 M CB -0.252 32.338 32.600 -0.017 0.000 1.412 294 M HN 0.278 nan 8.290 nan 0.000 0.482 295 G N -0.325 108.204 108.800 -0.452 0.000 2.547 295 G HA2 -0.105 3.851 3.960 -0.007 0.000 0.214 295 G HA3 -0.105 3.851 3.960 -0.007 0.000 0.214 295 G C 1.284 175.987 174.900 -0.328 0.000 1.254 295 G CA 0.575 45.061 45.100 -1.023 0.000 0.817 295 G HN 0.539 nan 8.290 nan 0.000 0.551 296 G N 0.892 109.594 108.800 -0.164 0.000 2.537 296 G HA2 0.073 4.029 3.960 -0.007 0.000 0.220 296 G HA3 0.073 4.029 3.960 -0.007 0.000 0.220 296 G C 1.788 176.602 174.900 -0.145 0.000 1.111 296 G CA 1.588 46.635 45.100 -0.089 0.000 0.748 296 G HN 0.682 nan 8.290 nan 0.000 0.564 297 A N 1.166 123.947 122.820 -0.065 0.000 1.832 297 A HA 0.091 4.407 4.320 -0.007 0.000 0.214 297 A C 2.319 179.892 177.584 -0.017 0.000 1.204 297 A CA 1.247 53.305 52.037 0.035 0.000 0.606 297 A CB -0.331 18.706 19.000 0.061 0.000 0.849 297 A HN 0.351 nan 8.150 nan 0.000 0.445 298 I N -0.023 120.544 120.570 -0.005 0.000 2.493 298 I HA -0.123 4.043 4.170 -0.007 0.000 0.254 298 I C 2.506 178.623 176.117 0.000 0.000 1.160 298 I CA 0.805 62.127 61.300 0.036 0.000 1.445 298 I CB -0.878 37.180 38.000 0.097 0.000 1.086 298 I HN 0.381 nan 8.210 nan 0.000 0.433 299 G N 1.390 110.166 108.800 -0.040 0.000 2.556 299 G HA2 -0.155 3.801 3.960 -0.007 0.000 0.215 299 G HA3 -0.155 3.801 3.960 -0.007 0.000 0.215 299 G C 1.762 176.518 174.900 -0.240 0.000 1.258 299 G CA 0.812 45.872 45.100 -0.066 0.000 0.811 299 G HN 0.421 nan 8.290 nan 0.000 0.557 300 G N 0.784 109.238 108.800 -0.577 0.000 2.545 300 G HA2 -0.273 3.683 3.960 -0.007 0.000 0.222 300 G HA3 -0.273 3.683 3.960 -0.007 0.000 0.222 300 G C 1.798 176.351 174.900 -0.578 0.000 1.126 300 G CA 1.448 45.869 45.100 -1.132 0.000 0.754 300 G HN 0.496 nan 8.290 nan 0.000 0.583 301 L N 0.518 121.580 121.223 -0.269 0.000 2.012 301 L HA -0.056 4.280 4.340 -0.007 0.000 0.210 301 L C 2.795 179.690 176.870 0.041 0.000 1.073 301 L CA 1.911 56.778 54.840 0.045 0.000 0.748 301 L CB -1.063 41.049 42.059 0.088 0.000 0.891 301 L HN 0.255 nan 8.230 nan 0.000 0.431 302 C N 0.332 119.633 119.300 0.002 0.000 2.436 302 C HA -0.057 4.399 4.460 -0.007 0.000 0.277 302 C C 2.816 177.827 174.990 0.035 0.000 1.241 302 C CA 0.780 59.816 59.018 0.031 0.000 1.721 302 C CB -1.940 25.817 27.740 0.029 0.000 2.043 302 C HN 0.780 nan 8.230 nan 0.000 0.472 303 G N -0.129 108.666 108.800 -0.007 0.000 2.475 303 G HA2 -0.231 3.725 3.960 -0.007 0.000 0.220 303 G HA3 -0.231 3.725 3.960 -0.007 0.000 0.220 303 G C 1.547 176.486 174.900 0.066 0.000 1.125 303 G CA 0.865 45.971 45.100 0.010 0.000 0.755 303 G HN 0.491 nan 8.290 nan 0.000 0.565 304 L N -0.026 121.250 121.223 0.089 0.000 2.027 304 L HA 0.145 4.481 4.340 -0.007 0.000 0.206 304 L C 2.777 179.759 176.870 0.186 0.000 1.074 304 L CA 1.039 55.972 54.840 0.156 0.000 0.745 304 L CB -0.197 41.980 42.059 0.197 0.000 0.898 304 L HN 0.173 nan 8.230 nan 0.000 0.433 305 L N -0.758 120.554 121.223 0.149 0.000 2.265 305 L HA -0.111 4.225 4.340 -0.007 0.000 0.215 305 L C 1.656 178.613 176.870 0.146 0.000 1.117 305 L CA 0.822 55.748 54.840 0.144 0.000 0.782 305 L CB -0.930 41.195 42.059 0.110 0.000 0.914 305 L HN 0.408 nan 8.230 nan 0.000 0.441 306 G N -1.898 106.990 108.800 0.146 0.000 3.452 306 G HA2 0.072 4.028 3.960 -0.007 0.000 0.258 306 G HA3 0.072 4.028 3.960 -0.007 0.000 0.258 306 G C 0.264 175.317 174.900 0.255 0.000 1.305 306 G CA -0.070 45.120 45.100 0.150 0.000 1.514 306 G HN 0.367 nan 8.290 nan 0.000 0.593 307 F N -0.478 119.508 119.950 0.060 0.000 3.348 307 F HA 0.031 4.557 4.527 -0.002 0.000 0.380 307 F C 0.909 176.762 175.800 0.088 0.000 1.182 307 F CA 0.406 58.441 58.000 0.058 0.000 0.790 307 F CB 0.221 39.237 39.000 0.027 0.000 1.777 307 F HN 0.173 nan 8.300 nan 0.000 0.478 308 V N -1.309 118.663 119.914 0.097 0.000 3.382 308 V HA 0.897 5.013 4.120 -0.007 0.000 0.296 308 V C 0.310 176.460 176.094 0.095 0.000 1.529 308 V CA 0.504 62.848 62.300 0.074 0.000 1.048 308 V CB 0.373 32.306 31.823 0.184 0.000 0.878 308 V HN 0.846 nan 8.190 nan 0.000 0.442 309 A N 0.114 123.001 122.820 0.111 0.000 1.829 309 A HA 0.482 4.798 4.320 -0.007 0.000 0.237 309 A C -2.198 175.457 177.584 0.118 0.000 1.992 309 A CA 0.199 52.332 52.037 0.159 0.000 1.945 309 A CB -0.530 18.639 19.000 0.280 0.000 0.649 309 A HN 0.217 nan 8.150 nan 0.000 0.921 310 P HA -0.167 nan 4.420 nan 0.000 0.217 310 P C 1.830 179.160 177.300 0.050 0.000 1.148 310 P CA 2.097 65.246 63.100 0.080 0.000 0.828 310 P CB 0.286 32.038 31.700 0.087 0.000 0.783 311 A N -0.642 122.198 122.820 0.035 0.000 2.186 311 A HA -0.177 4.139 4.320 -0.007 0.000 0.219 311 A C 2.099 179.611 177.584 -0.120 0.000 1.159 311 A CA 2.179 54.191 52.037 -0.042 0.000 0.680 311 A CB -1.663 17.261 19.000 -0.127 0.000 0.787 311 A HN 0.367 nan 8.150 nan 0.000 0.467 312 T N -4.401 110.089 114.554 -0.108 0.000 3.044 312 T HA 0.193 4.539 4.350 -0.007 0.000 0.255 312 T C 1.248 175.923 174.700 -0.042 0.000 1.073 312 T CA 0.931 62.948 62.100 -0.138 0.000 1.125 312 T CB -0.146 68.646 68.868 -0.128 0.000 0.908 312 T HN 0.276 nan 8.240 nan 0.000 0.480 313 S N -0.473 115.229 115.700 0.003 0.000 2.623 313 S HA 0.632 5.098 4.470 -0.007 0.000 0.287 313 S C 1.062 175.675 174.600 0.022 0.000 1.123 313 S CA 0.199 58.415 58.200 0.027 0.000 1.016 313 S CB 0.378 63.610 63.200 0.052 0.000 1.233 313 S HN 1.196 nan 8.310 nan 0.000 0.512 314 G N 0.119 108.937 108.800 0.029 0.000 2.750 314 G HA2 -0.178 3.778 3.960 -0.007 0.000 0.333 314 G HA3 -0.178 3.778 3.960 -0.007 0.000 0.333 314 G C 1.025 175.921 174.900 -0.006 0.000 1.363 314 G CA 0.182 45.294 45.100 0.020 0.000 0.919 314 G HN 1.523 nan 8.290 nan 0.000 0.559 315 G N -1.198 107.587 108.800 -0.024 0.000 2.505 315 G HA2 0.255 4.211 3.960 -0.007 0.000 0.220 315 G HA3 0.255 4.211 3.960 -0.007 0.000 0.220 315 G C 2.196 177.010 174.900 -0.144 0.000 1.145 315 G CA 2.406 47.443 45.100 -0.105 0.000 0.761 315 G HN 2.752 nan 8.290 nan 0.000 0.571 316 G N -0.783 107.994 108.800 -0.039 0.000 2.284 316 G HA2 -0.326 3.630 3.960 -0.007 0.000 0.230 316 G HA3 -0.326 3.630 3.960 -0.007 0.000 0.230 316 G C 1.234 176.189 174.900 0.091 0.000 1.021 316 G CA 0.618 45.715 45.100 -0.005 0.000 0.619 316 G HN 0.437 nan 8.290 nan 0.000 0.510 317 F N 2.509 122.455 119.950 -0.007 0.000 2.021 317 F HA -0.299 4.223 4.527 -0.008 0.000 0.297 317 F C 2.946 178.751 175.800 0.010 0.000 1.152 317 F CA 2.404 60.390 58.000 -0.023 0.000 1.201 317 F CB -0.565 38.401 39.000 -0.058 0.000 0.951 317 F HN 0.540 nan 8.300 nan 0.000 0.504 318 N N 1.505 120.361 118.700 0.261 0.000 2.187 318 N HA -0.271 4.465 4.740 -0.007 0.000 0.194 318 N C 1.408 177.008 175.510 0.150 0.000 1.002 318 N CA 1.866 55.006 53.050 0.150 0.000 0.882 318 N CB -0.956 37.607 38.487 0.126 0.000 1.003 318 N HN 0.497 nan 8.380 nan 0.000 0.443 319 L N -2.516 118.822 121.223 0.193 0.000 2.592 319 L HA 0.345 4.681 4.340 -0.007 0.000 0.227 319 L C 1.884 178.910 176.870 0.260 0.000 1.127 319 L CA 0.185 55.190 54.840 0.274 0.000 0.884 319 L CB -0.138 42.121 42.059 0.334 0.000 1.065 319 L HN 0.028 nan 8.230 nan 0.000 0.457 320 I N 0.732 121.414 120.570 0.187 0.000 2.179 320 I HA -0.100 4.066 4.170 -0.007 0.000 0.242 320 I C -0.129 176.053 176.117 0.109 0.000 1.088 320 I CA 1.208 62.600 61.300 0.154 0.000 1.357 320 I CB -1.385 36.703 38.000 0.148 0.000 1.051 320 I HN 0.260 nan 8.210 nan 0.000 0.409 321 P HA -0.150 nan 4.420 nan 0.000 0.214 321 P C 1.897 179.195 177.300 -0.003 0.000 1.163 321 P CA 1.587 64.701 63.100 0.023 0.000 0.883 321 P CB -0.012 31.690 31.700 0.003 0.000 0.788 322 I N -0.527 120.021 120.570 -0.037 0.000 2.151 322 I HA -0.328 3.838 4.170 -0.007 0.000 0.243 322 I C 2.361 178.356 176.117 -0.203 0.000 1.080 322 I CA 1.826 62.994 61.300 -0.221 0.000 1.339 322 I CB -1.083 36.668 38.000 -0.414 0.000 1.039 322 I HN -0.077 nan 8.210 nan 0.000 0.409 323 A N 0.776 123.650 122.820 0.090 0.000 1.865 323 A HA -0.231 4.085 4.320 -0.007 0.000 0.217 323 A C 2.419 180.081 177.584 0.130 0.000 1.191 323 A CA 2.710 54.909 52.037 0.271 0.000 0.623 323 A CB -1.300 17.899 19.000 0.332 0.000 0.826 323 A HN 0.450 nan 8.150 nan 0.000 0.444 324 T N 0.667 115.277 114.554 0.093 0.000 2.720 324 T HA -0.104 4.242 4.350 -0.007 0.000 0.268 324 T C 2.160 176.892 174.700 0.054 0.000 1.037 324 T CA 1.794 63.941 62.100 0.078 0.000 1.144 324 T CB -0.628 68.275 68.868 0.058 0.000 0.864 324 T HN 0.649 nan 8.240 nan 0.000 0.444 325 A N 0.876 123.703 122.820 0.013 0.000 1.948 325 A HA 0.267 4.583 4.320 -0.007 0.000 0.220 325 A C 2.197 179.781 177.584 -0.001 0.000 1.177 325 A CA 1.793 53.824 52.037 -0.009 0.000 0.636 325 A CB -1.126 17.842 19.000 -0.054 0.000 0.815 325 A HN 1.160 nan 8.150 nan 0.000 0.449 326 G N -1.603 107.197 108.800 -0.000 0.000 2.131 326 G HA2 -0.234 3.722 3.960 -0.007 0.000 0.201 326 G HA3 -0.234 3.722 3.960 -0.007 0.000 0.201 326 G C 0.405 175.293 174.900 -0.020 0.000 1.000 326 G CA 0.532 45.644 45.100 0.020 0.000 0.680 326 G HN 0.583 nan 8.290 nan 0.000 0.514 327 N N -1.007 117.624 118.700 -0.116 0.000 2.354 327 N HA 0.129 4.865 4.740 -0.007 0.000 0.179 327 N C 0.311 175.729 175.510 -0.153 0.000 1.021 327 N CA 0.318 53.251 53.050 -0.196 0.000 0.887 327 N CB 0.027 38.297 38.487 -0.361 0.000 0.974 327 N HN 0.351 nan 8.380 nan 0.000 0.437 328 F N 1.231 121.198 119.950 0.029 0.000 2.389 328 F HA 0.174 4.694 4.527 -0.012 0.000 0.337 328 F C 1.126 176.940 175.800 0.024 0.000 1.112 328 F CA -1.420 56.600 58.000 0.034 0.000 1.192 328 F CB 0.809 39.833 39.000 0.040 0.000 1.185 328 F HN -0.145 nan 8.300 nan 0.000 0.552 329 S N 2.446 118.292 115.700 0.244 0.000 2.652 329 S HA 0.275 4.741 4.470 -0.007 0.000 0.270 329 S C 1.055 175.714 174.600 0.098 0.000 1.243 329 S CA -0.798 57.477 58.200 0.124 0.000 0.999 329 S CB 1.055 64.308 63.200 0.090 0.000 0.973 329 S HN 0.721 nan 8.310 nan 0.000 0.544 330 M N 2.461 122.088 119.600 0.045 0.000 2.106 330 M HA 0.022 4.498 4.480 -0.007 0.000 0.259 330 M C 1.906 178.223 176.300 0.029 0.000 1.068 330 M CA 2.328 57.637 55.300 0.015 0.000 1.100 330 M CB -1.533 31.056 32.600 -0.018 0.000 1.351 330 M HN 0.955 nan 8.290 nan 0.000 0.404 331 G N -0.325 108.499 108.800 0.039 0.000 2.480 331 G HA2 -0.289 3.667 3.960 -0.007 0.000 0.216 331 G HA3 -0.289 3.667 3.960 -0.007 0.000 0.216 331 G C 1.463 176.419 174.900 0.093 0.000 1.200 331 G CA 1.280 46.411 45.100 0.051 0.000 0.782 331 G HN 0.512 nan 8.290 nan 0.000 0.554 332 M N 0.428 120.091 119.600 0.105 0.000 2.202 332 M HA 0.096 4.572 4.480 -0.007 0.000 0.262 332 M C 2.306 178.618 176.300 0.020 0.000 1.063 332 M CA 1.107 56.484 55.300 0.130 0.000 1.097 332 M CB -0.415 32.277 32.600 0.154 0.000 1.382 332 M HN 0.218 nan 8.290 nan 0.000 0.413 333 L N -1.613 119.607 121.223 -0.005 0.000 1.976 333 L HA -0.219 4.117 4.340 -0.007 0.000 0.209 333 L C 2.267 179.126 176.870 -0.018 0.000 1.071 333 L CA 1.224 56.020 54.840 -0.073 0.000 0.746 333 L CB -1.033 41.012 42.059 -0.024 0.000 0.890 333 L HN 0.100 nan 8.230 nan 0.000 0.432 334 V N -0.198 119.740 119.914 0.040 0.000 2.380 334 V HA -0.353 3.763 4.120 -0.007 0.000 0.251 334 V C 2.165 178.353 176.094 0.157 0.000 1.063 334 V CA 2.195 64.558 62.300 0.106 0.000 1.055 334 V CB -0.683 31.194 31.823 0.089 0.000 0.657 334 V HN 0.408 nan 8.190 nan 0.000 0.455 335 F N 0.433 120.388 119.950 0.009 0.000 2.084 335 F HA -0.167 4.357 4.527 -0.005 0.000 0.296 335 F C 2.216 178.012 175.800 -0.005 0.000 1.111 335 F CA 1.840 59.840 58.000 -0.001 0.000 1.224 335 F CB -0.096 38.890 39.000 -0.023 0.000 0.991 335 F HN 0.045 nan 8.300 nan 0.000 0.471 336 I N -0.354 119.964 120.570 -0.421 0.000 2.208 336 I HA -0.293 3.873 4.170 -0.007 0.000 0.245 336 I C 2.261 178.240 176.117 -0.229 0.000 1.097 336 I CA 1.099 62.096 61.300 -0.505 0.000 1.363 336 I CB -0.719 37.027 38.000 -0.423 0.000 1.051 336 I HN 0.232 nan 8.210 nan 0.000 0.413 337 F N 1.800 121.604 119.950 -0.243 0.000 2.000 337 F HA -0.248 4.275 4.527 -0.008 0.000 0.296 337 F C 2.481 178.214 175.800 -0.112 0.000 1.159 337 F CA 1.800 59.700 58.000 -0.166 0.000 1.183 337 F CB -0.942 37.969 39.000 -0.148 0.000 0.959 337 F HN -0.234 nan 8.300 nan 0.000 0.490 338 V N 0.899 120.722 119.914 -0.151 0.000 2.250 338 V HA -0.411 3.705 4.120 -0.007 0.000 0.253 338 V C 2.742 178.743 176.094 -0.155 0.000 1.065 338 V CA 2.383 64.577 62.300 -0.176 0.000 1.039 338 V CB -1.816 30.006 31.823 -0.001 0.000 0.647 338 V HN 0.589 nan 8.190 nan 0.000 0.446 339 A N -0.227 122.469 122.820 -0.206 0.000 1.903 339 A HA -0.305 4.011 4.320 -0.007 0.000 0.219 339 A C 2.359 179.856 177.584 -0.146 0.000 1.191 339 A CA 2.441 54.344 52.037 -0.223 0.000 0.638 339 A CB -0.572 18.083 19.000 -0.574 0.000 0.823 339 A HN 0.572 nan 8.150 nan 0.000 0.451 340 R N -0.959 119.438 120.500 -0.172 0.000 2.062 340 R HA -0.041 4.295 4.340 -0.007 0.000 0.229 340 R C 2.028 178.315 176.300 -0.022 0.000 1.128 340 R CA 1.289 57.337 56.100 -0.087 0.000 0.960 340 R CB -0.756 29.494 30.300 -0.084 0.000 0.855 340 R HN 0.387 nan 8.270 nan 0.000 0.432 341 V N 1.736 121.588 119.914 -0.102 0.000 2.439 341 V HA -0.284 3.832 4.120 -0.007 0.000 0.253 341 V C 2.202 178.426 176.094 0.216 0.000 1.074 341 V CA 1.801 64.144 62.300 0.072 0.000 1.076 341 V CB -0.476 31.303 31.823 -0.072 0.000 0.664 341 V HN 0.299 nan 8.190 nan 0.000 0.461 342 I N 0.292 120.912 120.570 0.083 0.000 2.296 342 I HA -0.142 4.024 4.170 -0.007 0.000 0.242 342 I C 2.721 178.891 176.117 0.088 0.000 1.087 342 I CA 1.656 63.000 61.300 0.074 0.000 1.393 342 I CB -0.759 37.256 38.000 0.024 0.000 1.093 342 I HN 0.443 nan 8.210 nan 0.000 0.421 343 T N -1.596 112.999 114.554 0.067 0.000 2.803 343 T HA -0.163 4.184 4.350 -0.007 0.000 0.269 343 T C 1.762 176.533 174.700 0.119 0.000 1.052 343 T CA 1.859 64.005 62.100 0.078 0.000 1.136 343 T CB -0.909 67.987 68.868 0.047 0.000 0.864 343 T HN 0.231 nan 8.240 nan 0.000 0.467 344 T N 2.705 117.347 114.554 0.146 0.000 2.588 344 T HA 0.057 4.403 4.350 -0.007 0.000 0.261 344 T C 1.921 176.776 174.700 0.259 0.000 1.069 344 T CA 1.417 63.644 62.100 0.211 0.000 1.172 344 T CB -0.661 68.380 68.868 0.289 0.000 0.863 344 T HN 0.282 nan 8.240 nan 0.000 0.408 345 L N 0.580 121.951 121.223 0.247 0.000 1.941 345 L HA -0.170 4.166 4.340 -0.007 0.000 0.224 345 L C 2.568 179.540 176.870 0.170 0.000 1.081 345 L CA 1.312 56.258 54.840 0.177 0.000 0.784 345 L CB -0.992 41.126 42.059 0.098 0.000 0.894 345 L HN 0.207 nan 8.230 nan 0.000 0.436 346 L N -0.507 120.794 121.223 0.130 0.000 2.171 346 L HA -0.300 4.036 4.340 -0.007 0.000 0.216 346 L C 2.328 179.295 176.870 0.162 0.000 1.084 346 L CA 1.927 56.840 54.840 0.122 0.000 0.771 346 L CB -0.660 41.457 42.059 0.096 0.000 0.890 346 L HN 0.386 nan 8.230 nan 0.000 0.437 347 C N -2.208 117.205 119.300 0.187 0.000 2.538 347 C HA 0.017 4.473 4.460 -0.007 0.000 0.281 347 C C 2.383 177.526 174.990 0.256 0.000 1.320 347 C CA 0.288 59.433 59.018 0.212 0.000 1.714 347 C CB -0.867 26.983 27.740 0.184 0.000 2.095 347 C HN 0.669 nan 8.230 nan 0.000 0.497 348 F N 2.158 122.170 119.950 0.103 0.000 2.053 348 F HA -0.051 4.472 4.527 -0.007 0.000 0.292 348 F C 2.526 178.380 175.800 0.089 0.000 1.125 348 F CA 1.990 60.039 58.000 0.082 0.000 1.193 348 F CB -0.957 38.093 39.000 0.084 0.000 0.996 348 F HN 0.040 nan 8.300 nan 0.000 0.470 349 S N -0.047 115.666 115.700 0.022 0.000 2.441 349 S HA -0.218 4.248 4.470 -0.007 0.000 0.242 349 S C 1.811 176.425 174.600 0.023 0.000 1.018 349 S CA 1.310 59.470 58.200 -0.067 0.000 0.988 349 S CB -1.001 62.225 63.200 0.044 0.000 0.778 349 S HN 0.557 nan 8.310 nan 0.000 0.498 350 S N 0.680 116.454 115.700 0.123 0.000 2.803 350 S HA 0.353 4.819 4.470 -0.007 0.000 0.228 350 S C 1.261 176.072 174.600 0.351 0.000 0.953 350 S CA 0.344 58.715 58.200 0.285 0.000 0.983 350 S CB -0.615 62.779 63.200 0.324 0.000 0.784 350 S HN 0.702 nan 8.310 nan 0.000 0.498 351 G N 0.659 109.511 108.800 0.086 0.000 2.296 351 G HA2 -0.172 3.784 3.960 -0.007 0.000 0.282 351 G HA3 -0.172 3.784 3.960 -0.007 0.000 0.282 351 G C 0.305 175.065 174.900 -0.233 0.000 1.014 351 G CA 0.088 45.150 45.100 -0.064 0.000 0.812 351 G HN 1.353 nan 8.290 nan 0.000 0.508 352 A N 0.549 123.233 122.820 -0.226 0.000 2.388 352 A HA 0.658 4.974 4.320 -0.007 0.000 0.257 352 A C -1.134 176.254 177.584 -0.326 0.000 1.095 352 A CA -0.993 50.693 52.037 -0.584 0.000 0.791 352 A CB 0.580 19.364 19.000 -0.360 0.000 1.029 352 A HN 0.243 nan 8.150 nan 0.000 0.489 353 P HA 0.239 nan 4.420 nan 0.000 0.264 353 P C 0.181 177.472 177.300 -0.016 0.000 1.537 353 P CA 0.801 63.810 63.100 -0.151 0.000 1.189 353 P CB 0.073 31.681 31.700 -0.153 0.000 1.687 354 G N 1.382 110.230 108.800 0.080 0.000 2.606 354 G HA2 0.646 4.602 3.960 -0.007 0.000 0.300 354 G HA3 0.646 4.602 3.960 -0.007 0.000 0.300 354 G C -1.076 173.979 174.900 0.258 0.000 1.360 354 G CA -0.555 44.644 45.100 0.165 0.000 0.783 354 G HN 0.441 nan 8.290 nan 0.000 0.484 355 G N -1.613 107.300 108.800 0.189 0.000 2.735 355 G HA2 0.569 4.525 3.960 -0.007 0.000 0.301 355 G HA3 0.569 4.525 3.960 -0.007 0.000 0.301 355 G C -0.153 174.637 174.900 -0.182 0.000 1.279 355 G CA -0.449 44.707 45.100 0.092 0.000 1.019 355 G HN 0.906 nan 8.290 nan 0.000 0.497 356 I N -0.503 119.809 120.570 -0.431 0.000 4.310 356 I HA 0.294 4.460 4.170 -0.007 0.000 0.328 356 I C 0.911 176.975 176.117 -0.089 0.000 1.406 356 I CA -0.313 60.693 61.300 -0.489 0.000 1.174 356 I CB 0.164 37.453 38.000 -1.186 0.000 1.279 356 I HN 0.483 nan 8.210 nan 0.000 0.471 357 F N 2.182 122.081 119.950 -0.084 0.000 2.074 357 F HA -0.030 4.494 4.527 -0.005 0.000 0.293 357 F C 2.381 178.195 175.800 0.023 0.000 1.116 357 F CA 2.273 60.276 58.000 0.006 0.000 1.212 357 F CB -0.449 38.544 39.000 -0.011 0.000 0.998 357 F HN 0.093 nan 8.300 nan 0.000 0.471 358 A N 1.396 124.247 122.820 0.051 0.000 1.851 358 A HA -0.128 4.188 4.320 -0.007 0.000 0.216 358 A C -0.229 177.206 177.584 -0.248 0.000 1.195 358 A CA 1.938 53.886 52.037 -0.148 0.000 0.622 358 A CB -2.451 16.323 19.000 -0.377 0.000 0.831 358 A HN 0.382 nan 8.150 nan 0.000 0.444 359 P HA -0.210 nan 4.420 nan 0.000 0.219 359 P C 1.529 178.766 177.300 -0.105 0.000 1.144 359 P CA 1.489 64.507 63.100 -0.137 0.000 0.806 359 P CB -0.281 31.373 31.700 -0.076 0.000 0.771 360 M N -1.463 118.059 119.600 -0.129 0.000 2.254 360 M HA -0.078 4.398 4.480 -0.007 0.000 0.265 360 M C 2.267 178.506 176.300 -0.102 0.000 1.066 360 M CA 1.364 56.588 55.300 -0.126 0.000 1.123 360 M CB -0.578 31.947 32.600 -0.126 0.000 1.388 360 M HN -0.073 nan 8.290 nan 0.000 0.425 361 L N -0.255 120.883 121.223 -0.142 0.000 1.976 361 L HA -0.189 4.147 4.340 -0.007 0.000 0.209 361 L C 2.833 179.705 176.870 0.005 0.000 1.071 361 L CA 1.425 56.221 54.840 -0.074 0.000 0.746 361 L CB -1.007 41.034 42.059 -0.029 0.000 0.890 361 L HN 0.276 nan 8.230 nan 0.000 0.432 362 A N 0.339 123.158 122.820 -0.003 0.000 1.903 362 A HA -0.247 4.069 4.320 -0.007 0.000 0.219 362 A C 2.252 179.876 177.584 0.066 0.000 1.191 362 A CA 2.047 54.106 52.037 0.036 0.000 0.638 362 A CB -0.995 18.004 19.000 -0.001 0.000 0.823 362 A HN 0.401 nan 8.150 nan 0.000 0.451 363 L N -1.094 120.170 121.223 0.068 0.000 2.017 363 L HA -0.147 4.189 4.340 -0.007 0.000 0.208 363 L C 2.893 179.865 176.870 0.169 0.000 1.073 363 L CA 1.354 56.301 54.840 0.179 0.000 0.745 363 L CB -1.248 40.891 42.059 0.134 0.000 0.894 363 L HN 0.516 nan 8.230 nan 0.000 0.432 364 G N -0.341 108.571 108.800 0.186 0.000 2.418 364 G HA2 -0.230 3.726 3.960 -0.007 0.000 0.217 364 G HA3 -0.230 3.726 3.960 -0.007 0.000 0.217 364 G C 1.557 176.584 174.900 0.212 0.000 1.158 364 G CA 1.306 46.602 45.100 0.326 0.000 0.771 364 G HN 0.331 nan 8.290 nan 0.000 0.545 365 T N 1.134 115.755 114.554 0.111 0.000 2.595 365 T HA -0.154 4.192 4.350 -0.007 0.000 0.264 365 T C 2.467 177.219 174.700 0.086 0.000 1.058 365 T CA 1.458 63.617 62.100 0.098 0.000 1.166 365 T CB -0.684 68.244 68.868 0.099 0.000 0.863 365 T HN 0.021 nan 8.240 nan 0.000 0.415 366 V N 1.854 121.803 119.914 0.057 0.000 2.317 366 V HA -0.163 3.953 4.120 -0.007 0.000 0.251 366 V C 2.476 178.482 176.094 -0.147 0.000 1.065 366 V CA 1.718 64.013 62.300 -0.007 0.000 1.049 366 V CB -0.806 31.013 31.823 -0.007 0.000 0.651 366 V HN 0.337 nan 8.190 nan 0.000 0.450 367 L N 1.086 122.135 121.223 -0.290 0.000 2.141 367 L HA 0.043 4.379 4.340 -0.007 0.000 0.209 367 L C 2.221 179.005 176.870 -0.144 0.000 1.094 367 L CA 2.356 56.876 54.840 -0.534 0.000 0.763 367 L CB -1.300 40.238 42.059 -0.869 0.000 0.908 367 L HN 0.231 nan 8.230 nan 0.000 0.437 368 G N -1.488 107.364 108.800 0.087 0.000 2.414 368 G HA2 -0.207 3.749 3.960 -0.007 0.000 0.215 368 G HA3 -0.207 3.749 3.960 -0.007 0.000 0.215 368 G C 1.354 176.369 174.900 0.191 0.000 1.188 368 G CA 1.075 46.300 45.100 0.209 0.000 0.783 368 G HN 0.417 nan 8.290 nan 0.000 0.537 369 T N 2.209 116.843 114.554 0.134 0.000 2.565 369 T HA -0.246 4.100 4.350 -0.007 0.000 0.265 369 T C 2.760 177.493 174.700 0.054 0.000 1.082 369 T CA 2.422 64.594 62.100 0.120 0.000 1.173 369 T CB -0.854 68.081 68.868 0.112 0.000 0.864 369 T HN 0.440 nan 8.240 nan 0.000 0.425 370 A N 1.131 123.947 122.820 -0.005 0.000 1.896 370 A HA -0.207 4.109 4.320 -0.007 0.000 0.220 370 A C 2.066 179.585 177.584 -0.108 0.000 1.206 370 A CA 2.341 54.335 52.037 -0.072 0.000 0.647 370 A CB -1.328 17.586 19.000 -0.144 0.000 0.828 370 A HN 0.520 nan 8.150 nan 0.000 0.455 371 F N 0.854 120.690 119.950 -0.191 0.000 2.126 371 F HA -0.084 4.440 4.527 -0.005 0.000 0.299 371 F C 2.331 177.875 175.800 -0.426 0.000 1.096 371 F CA 1.654 59.501 58.000 -0.255 0.000 1.255 371 F CB -0.624 38.264 39.000 -0.186 0.000 0.997 371 F HN 0.236 nan 8.300 nan 0.000 0.479 372 G N 0.416 109.102 108.800 -0.190 0.000 2.480 372 G HA2 -0.312 3.644 3.960 -0.007 0.000 0.216 372 G HA3 -0.312 3.644 3.960 -0.007 0.000 0.216 372 G C 1.664 176.363 174.900 -0.334 0.000 1.200 372 G CA 1.143 45.983 45.100 -0.433 0.000 0.782 372 G HN 0.383 nan 8.290 nan 0.000 0.554 373 M N 0.038 119.534 119.600 -0.173 0.000 2.143 373 M HA -0.155 4.321 4.480 -0.007 0.000 0.258 373 M C 2.630 178.801 176.300 -0.215 0.000 1.071 373 M CA 1.216 56.432 55.300 -0.140 0.000 1.088 373 M CB -0.404 32.145 32.600 -0.086 0.000 1.360 373 M HN 0.165 nan 8.290 nan 0.000 0.404 374 V N -0.145 119.579 119.914 -0.317 0.000 2.307 374 V HA -0.210 3.906 4.120 -0.007 0.000 0.245 374 V C 2.619 178.469 176.094 -0.408 0.000 1.045 374 V CA 1.875 63.953 62.300 -0.370 0.000 1.024 374 V CB -1.459 30.080 31.823 -0.473 0.000 0.651 374 V HN 0.527 nan 8.190 nan 0.000 0.449 375 A N 0.282 122.792 122.820 -0.517 0.000 1.883 375 A HA -0.186 4.130 4.320 -0.007 0.000 0.217 375 A C 2.412 179.945 177.584 -0.085 0.000 1.186 375 A CA 2.375 54.226 52.037 -0.311 0.000 0.624 375 A CB -0.878 17.749 19.000 -0.621 0.000 0.822 375 A HN 0.321 nan 8.150 nan 0.000 0.444 376 V N 1.246 121.080 119.914 -0.134 0.000 2.214 376 V HA -0.378 3.738 4.120 -0.007 0.000 0.247 376 V C 2.613 178.654 176.094 -0.087 0.000 1.051 376 V CA 2.648 64.928 62.300 -0.032 0.000 1.003 376 V CB -1.256 30.547 31.823 -0.033 0.000 0.635 376 V HN 0.935 nan 8.190 nan 0.000 0.447 377 E N 0.169 120.278 120.200 -0.152 0.000 2.265 377 E HA -0.201 4.145 4.350 -0.007 0.000 0.196 377 E C 2.067 178.498 176.600 -0.281 0.000 0.996 377 E CA 1.460 57.753 56.400 -0.178 0.000 0.832 377 E CB -0.391 29.211 29.700 -0.164 0.000 0.756 377 E HN 0.584 nan 8.360 nan 0.000 0.491 378 L N -0.355 120.607 121.223 -0.436 0.000 2.095 378 L HA 0.028 4.364 4.340 -0.007 0.000 0.204 378 L C 0.365 176.636 176.870 -0.999 0.000 1.080 378 L CA 0.642 54.990 54.840 -0.820 0.000 0.759 378 L CB 0.125 41.456 42.059 -1.213 0.000 0.914 378 L HN 0.116 nan 8.230 nan 0.000 0.439 379 F N -0.807 119.030 119.950 -0.188 0.000 2.564 379 F HA 0.330 4.854 4.527 -0.005 0.000 0.368 379 F C -1.739 173.954 175.800 -0.179 0.000 1.127 379 F CA -2.155 55.685 58.000 -0.267 0.000 1.170 379 F CB 0.249 38.923 39.000 -0.543 0.000 1.397 379 F HN -0.192 nan 8.300 nan 0.000 0.493 380 P HA -0.178 nan 4.420 nan 0.000 0.229 380 P C 1.081 178.289 177.300 -0.153 0.000 1.160 380 P CA 1.091 64.137 63.100 -0.090 0.000 0.777 380 P CB 0.348 31.981 31.700 -0.112 0.000 0.814 381 Q N -0.664 119.107 119.800 -0.049 0.000 2.472 381 Q HA -0.109 4.227 4.340 -0.007 0.000 0.208 381 Q C 1.264 177.515 176.000 0.417 0.000 0.958 381 Q CA 0.943 56.786 55.803 0.067 0.000 0.932 381 Q CB -1.057 27.750 28.738 0.114 0.000 1.007 381 Q HN 0.436 nan 8.270 nan 0.000 0.508 382 Y N 0.231 120.671 120.300 0.233 0.000 2.466 382 Y HA 0.044 4.590 4.550 -0.006 0.000 0.272 382 Y C -0.200 175.913 175.900 0.355 0.000 1.169 382 Y CA -0.393 57.881 58.100 0.290 0.000 1.285 382 Y CB 0.131 38.719 38.460 0.214 0.000 1.078 382 Y HN 0.288 nan 8.280 nan 0.000 0.523 383 H N -0.168 119.067 119.070 0.275 0.000 2.655 383 H HA -0.189 4.364 4.556 -0.005 0.000 0.313 383 H C -0.058 175.386 175.328 0.194 0.000 1.141 383 H CA 0.234 56.393 56.048 0.185 0.000 1.138 383 H CB -2.200 27.646 29.762 0.139 0.000 1.446 383 H HN 0.287 nan 8.280 nan 0.000 0.415 384 L N -0.085 121.326 121.223 0.312 0.000 2.474 384 L HA 0.197 4.533 4.340 -0.007 0.000 0.259 384 L C 1.105 178.126 176.870 0.252 0.000 1.232 384 L CA 0.413 55.449 54.840 0.327 0.000 0.821 384 L CB 0.451 42.751 42.059 0.402 0.000 1.108 384 L HN 0.443 nan 8.230 nan 0.000 0.495 385 E N -0.227 120.146 120.200 0.289 0.000 2.528 385 E HA 0.262 4.608 4.350 -0.007 0.000 0.277 385 E C 0.254 177.030 176.600 0.293 0.000 0.980 385 E CA -0.268 56.261 56.400 0.216 0.000 0.796 385 E CB 1.525 31.320 29.700 0.159 0.000 1.427 385 E HN 0.699 nan 8.360 nan 0.000 0.394 386 A N 3.308 126.277 122.820 0.248 0.000 2.131 386 A HA -0.267 4.049 4.320 -0.007 0.000 0.224 386 A C 1.862 179.639 177.584 0.321 0.000 1.172 386 A CA 2.279 54.481 52.037 0.276 0.000 0.672 386 A CB -0.749 18.315 19.000 0.107 0.000 0.815 386 A HN 0.724 nan 8.150 nan 0.000 0.477 387 G N -0.784 108.146 108.800 0.217 0.000 2.448 387 G HA2 -0.203 3.753 3.960 -0.007 0.000 0.219 387 G HA3 -0.203 3.753 3.960 -0.007 0.000 0.219 387 G C 1.681 176.673 174.900 0.154 0.000 1.127 387 G CA 2.042 47.238 45.100 0.159 0.000 0.766 387 G HN 0.755 nan 8.290 nan 0.000 0.552 388 T N -0.366 114.287 114.554 0.165 0.000 2.674 388 T HA -0.109 4.237 4.350 -0.007 0.000 0.265 388 T C 2.087 176.822 174.700 0.058 0.000 1.039 388 T CA 1.241 63.367 62.100 0.042 0.000 1.150 388 T CB -0.629 68.208 68.868 -0.052 0.000 0.864 388 T HN 0.155 nan 8.240 nan 0.000 0.427 389 F N 2.655 122.707 119.950 0.170 0.000 2.202 389 F HA 0.149 4.673 4.527 -0.005 0.000 0.301 389 F C 2.973 178.815 175.800 0.070 0.000 1.082 389 F CA 0.552 58.597 58.000 0.076 0.000 1.313 389 F CB -1.061 37.947 39.000 0.013 0.000 1.024 389 F HN 0.284 nan 8.300 nan 0.000 0.495 390 A N -0.082 122.895 122.820 0.262 0.000 2.019 390 A HA -0.100 4.216 4.320 -0.007 0.000 0.219 390 A C 2.247 179.889 177.584 0.097 0.000 1.164 390 A CA 1.400 53.536 52.037 0.166 0.000 0.644 390 A CB -0.826 18.261 19.000 0.145 0.000 0.805 390 A HN 0.465 nan 8.150 nan 0.000 0.449 391 I N -1.223 119.389 120.570 0.070 0.000 3.035 391 I HA -0.032 4.134 4.170 -0.007 0.000 0.271 391 I C 2.535 178.627 176.117 -0.042 0.000 1.190 391 I CA 0.717 62.022 61.300 0.007 0.000 1.472 391 I CB -0.017 37.976 38.000 -0.010 0.000 1.116 391 I HN 0.317 nan 8.210 nan 0.000 0.443 392 A N 0.315 123.126 122.820 -0.015 0.000 2.209 392 A HA 0.059 4.375 4.320 -0.007 0.000 0.212 392 A C 1.937 179.425 177.584 -0.160 0.000 1.158 392 A CA 1.470 53.477 52.037 -0.049 0.000 0.742 392 A CB -0.631 18.471 19.000 0.171 0.000 0.790 392 A HN 0.454 nan 8.150 nan 0.000 0.472 393 G N -1.976 106.729 108.800 -0.158 0.000 3.342 393 G HA2 0.193 4.149 3.960 -0.007 0.000 0.252 393 G HA3 0.193 4.149 3.960 -0.007 0.000 0.252 393 G C 1.109 175.853 174.900 -0.260 0.000 1.011 393 G CA 0.524 45.387 45.100 -0.395 0.000 0.869 393 G HN 0.350 nan 8.290 nan 0.000 0.514 394 M N 1.068 120.600 119.600 -0.113 0.000 2.358 394 M HA 0.081 4.557 4.480 -0.007 0.000 0.264 394 M C 1.837 178.070 176.300 -0.110 0.000 1.064 394 M CA 1.783 57.049 55.300 -0.057 0.000 1.093 394 M CB 0.133 32.724 32.600 -0.015 0.000 1.401 394 M HN 0.169 nan 8.290 nan 0.000 0.440 395 G N -1.815 106.875 108.800 -0.183 0.000 3.274 395 G HA2 0.344 4.300 3.960 -0.007 0.000 0.250 395 G HA3 0.344 4.300 3.960 -0.007 0.000 0.250 395 G C 1.164 175.920 174.900 -0.239 0.000 1.024 395 G CA 0.406 45.395 45.100 -0.185 0.000 0.840 395 G HN 0.490 nan 8.290 nan 0.000 0.522 396 A N 0.768 123.325 122.820 -0.438 0.000 1.969 396 A HA 0.117 4.433 4.320 -0.007 0.000 0.218 396 A C 2.055 179.445 177.584 -0.324 0.000 1.169 396 A CA 0.881 52.551 52.037 -0.612 0.000 0.635 396 A CB -0.248 17.923 19.000 -1.381 0.000 0.810 396 A HN 0.366 nan 8.150 nan 0.000 0.445 397 L N -0.486 120.672 121.223 -0.109 0.000 2.465 397 L HA 0.045 4.381 4.340 -0.007 0.000 0.224 397 L C 1.752 178.675 176.870 0.087 0.000 1.145 397 L CA 1.159 56.147 54.840 0.247 0.000 0.834 397 L CB -0.487 41.755 42.059 0.304 0.000 0.944 397 L HN 0.434 nan 8.230 nan 0.000 0.451 398 L N -0.425 120.791 121.223 -0.011 0.000 2.307 398 L HA 0.042 4.378 4.340 -0.007 0.000 0.211 398 L C 2.306 179.207 176.870 0.052 0.000 1.099 398 L CA 0.692 55.547 54.840 0.026 0.000 0.816 398 L CB -0.335 41.698 42.059 -0.044 0.000 0.952 398 L HN 0.235 nan 8.230 nan 0.000 0.455 399 A N -0.674 122.141 122.820 -0.007 0.000 2.259 399 A HA 0.358 4.674 4.320 -0.007 0.000 0.208 399 A C 1.793 179.391 177.584 0.023 0.000 1.201 399 A CA 1.066 53.097 52.037 -0.010 0.000 0.824 399 A CB -0.242 18.714 19.000 -0.073 0.000 0.838 399 A HN 0.370 nan 8.150 nan 0.000 0.485 400 A N -2.239 120.625 122.820 0.073 0.000 1.977 400 A HA 0.355 4.671 4.320 -0.007 0.000 0.197 400 A C 2.046 179.686 177.584 0.094 0.000 1.554 400 A CA 1.103 53.195 52.037 0.091 0.000 1.037 400 A CB -0.263 18.832 19.000 0.160 0.000 1.083 400 A HN 0.276 nan 8.150 nan 0.000 0.471 401 S N -0.350 115.425 115.700 0.125 0.000 2.315 401 S HA 0.107 4.573 4.470 -0.007 0.000 0.211 401 S C 1.669 176.382 174.600 0.188 0.000 1.029 401 S CA 1.092 59.383 58.200 0.151 0.000 0.956 401 S CB -0.262 63.059 63.200 0.202 0.000 0.918 401 S HN 0.485 nan 8.310 nan 0.000 0.470 402 I N 1.537 122.254 120.570 0.246 0.000 3.564 402 I HA 0.096 4.262 4.170 -0.007 0.000 0.294 402 I C -0.298 175.930 176.117 0.186 0.000 1.289 402 I CA 0.386 61.879 61.300 0.322 0.000 1.325 402 I CB -0.215 38.041 38.000 0.427 0.000 1.039 402 I HN 0.241 nan 8.210 nan 0.000 0.474 403 R N 0.836 121.411 120.500 0.125 0.000 3.301 403 R HA -0.203 4.133 4.340 -0.007 0.000 0.249 403 R C 0.243 176.572 176.300 0.048 0.000 0.964 403 R CA 0.493 56.633 56.100 0.066 0.000 0.653 403 R CB -2.322 28.010 30.300 0.052 0.000 1.043 403 R HN 0.476 nan 8.270 nan 0.000 0.454 404 A N -0.608 122.253 122.820 0.068 0.000 3.154 404 A HA 0.408 4.724 4.320 -0.007 0.000 0.310 404 A C -1.533 176.076 177.584 0.042 0.000 1.093 404 A CA -1.319 50.755 52.037 0.061 0.000 1.006 404 A CB 0.519 19.602 19.000 0.139 0.000 1.084 404 A HN 0.021 nan 8.150 nan 0.000 0.549 405 P HA -0.261 nan 4.420 nan 0.000 0.214 405 P C 1.706 178.995 177.300 -0.019 0.000 1.164 405 P CA 1.073 64.160 63.100 -0.023 0.000 0.942 405 P CB 0.179 31.855 31.700 -0.039 0.000 0.791 406 L N -0.875 120.338 121.223 -0.016 0.000 1.997 406 L HA -0.215 4.121 4.340 -0.007 0.000 0.216 406 L C 2.218 179.090 176.870 0.003 0.000 1.074 406 L CA 2.330 57.162 54.840 -0.013 0.000 0.763 406 L CB -1.804 40.246 42.059 -0.016 0.000 0.890 406 L HN 0.025 nan 8.230 nan 0.000 0.434 407 T N -0.855 113.722 114.554 0.038 0.000 2.759 407 T HA -0.120 4.226 4.350 -0.007 0.000 0.269 407 T C 1.626 176.341 174.700 0.025 0.000 1.042 407 T CA 1.137 63.275 62.100 0.063 0.000 1.140 407 T CB -0.823 68.168 68.868 0.204 0.000 0.864 407 T HN 0.598 nan 8.240 nan 0.000 0.455 408 G N 2.286 111.101 108.800 0.025 0.000 2.616 408 G HA2 -0.119 3.837 3.960 -0.007 0.000 0.215 408 G HA3 -0.119 3.837 3.960 -0.007 0.000 0.215 408 G C 1.411 176.285 174.900 -0.042 0.000 1.284 408 G CA 0.540 45.629 45.100 -0.018 0.000 0.823 408 G HN 0.358 nan 8.290 nan 0.000 0.569 409 I N 1.114 121.650 120.570 -0.058 0.000 2.188 409 I HA -0.273 3.893 4.170 -0.007 0.000 0.246 409 I C 2.761 178.850 176.117 -0.046 0.000 1.033 409 I CA 1.645 62.903 61.300 -0.069 0.000 1.307 409 I CB -0.897 37.061 38.000 -0.071 0.000 1.005 409 I HN 0.208 nan 8.210 nan 0.000 0.421 410 I N -0.430 120.123 120.570 -0.028 0.000 2.617 410 I HA -0.224 3.942 4.170 -0.007 0.000 0.256 410 I C 2.414 178.521 176.117 -0.017 0.000 1.167 410 I CA 0.438 61.729 61.300 -0.015 0.000 1.469 410 I CB -0.038 37.955 38.000 -0.011 0.000 1.098 410 I HN 0.208 nan 8.210 nan 0.000 0.436 411 L N 0.181 121.390 121.223 -0.023 0.000 2.072 411 L HA -0.077 4.259 4.340 -0.007 0.000 0.205 411 L C 2.274 179.155 176.870 0.019 0.000 1.079 411 L CA 1.669 56.500 54.840 -0.015 0.000 0.752 411 L CB -0.440 41.597 42.059 -0.036 0.000 0.906 411 L HN -0.091 nan 8.230 nan 0.000 0.436 412 V N -0.180 119.733 119.914 -0.003 0.000 2.214 412 V HA -0.336 3.780 4.120 -0.007 0.000 0.244 412 V C 2.514 178.607 176.094 -0.002 0.000 1.045 412 V CA 2.084 64.381 62.300 -0.004 0.000 0.993 412 V CB -0.815 30.983 31.823 -0.043 0.000 0.633 412 V HN 0.529 nan 8.190 nan 0.000 0.449 413 L N 0.181 121.396 121.223 -0.015 0.000 2.026 413 L HA -0.334 4.002 4.340 -0.007 0.000 0.231 413 L C 2.555 179.436 176.870 0.017 0.000 1.095 413 L CA 2.481 57.323 54.840 0.004 0.000 0.810 413 L CB -0.816 41.257 42.059 0.024 0.000 0.909 413 L HN 0.435 nan 8.230 nan 0.000 0.444 414 E N -0.881 119.329 120.200 0.015 0.000 2.301 414 E HA -0.264 4.082 4.350 -0.007 0.000 0.202 414 E C 1.653 178.262 176.600 0.015 0.000 1.017 414 E CA 1.831 58.239 56.400 0.013 0.000 0.831 414 E CB -0.219 29.482 29.700 0.002 0.000 0.742 414 E HN 0.754 nan 8.360 nan 0.000 0.491 415 M N -3.368 116.242 119.600 0.017 0.000 2.289 415 M HA 0.204 4.680 4.480 -0.007 0.000 0.335 415 M C 0.842 177.138 176.300 -0.007 0.000 0.961 415 M CA 0.095 55.397 55.300 0.003 0.000 1.018 415 M CB 0.805 33.408 32.600 0.005 0.000 1.678 415 M HN -0.171 nan 8.290 nan 0.000 0.589 416 T N -3.188 111.366 114.554 -0.000 0.000 3.003 416 T HA 0.090 4.436 4.350 -0.007 0.000 0.261 416 T C 0.531 175.231 174.700 0.001 0.000 1.003 416 T CA -0.012 62.085 62.100 -0.004 0.000 0.917 416 T CB -0.003 68.860 68.868 -0.009 0.000 1.084 416 T HN 0.389 nan 8.240 nan 0.000 0.522 417 D N 2.579 122.986 120.400 0.010 0.000 2.730 417 D HA -0.188 4.448 4.640 -0.007 0.000 0.227 417 D C -0.377 175.940 176.300 0.028 0.000 1.196 417 D CA 0.457 54.471 54.000 0.024 0.000 0.620 417 D CB -1.597 39.214 40.800 0.018 0.000 1.012 417 D HN 0.511 nan 8.370 nan 0.000 0.411 418 N N 0.399 119.109 118.700 0.017 0.000 2.598 418 N HA -0.012 4.724 4.740 -0.007 0.000 0.309 418 N C 0.837 176.339 175.510 -0.013 0.000 1.645 418 N CA -0.419 52.632 53.050 0.000 0.000 0.936 418 N CB 0.116 38.584 38.487 -0.033 0.000 1.323 418 N HN 0.296 nan 8.380 nan 0.000 0.497 419 Y N 2.492 122.760 120.300 -0.053 0.000 2.215 419 Y HA -0.362 4.184 4.550 -0.006 0.000 0.282 419 Y C 2.077 177.931 175.900 -0.077 0.000 1.207 419 Y CA 2.200 60.263 58.100 -0.061 0.000 1.196 419 Y CB 0.145 38.577 38.460 -0.047 0.000 0.969 419 Y HN 0.338 nan 8.280 nan 0.000 0.528 420 Q N -0.320 119.454 119.800 -0.043 0.000 2.443 420 Q HA -0.117 4.219 4.340 -0.007 0.000 0.213 420 Q C 1.325 177.182 176.000 -0.238 0.000 0.982 420 Q CA 1.790 57.532 55.803 -0.101 0.000 0.894 420 Q CB -0.524 28.192 28.738 -0.037 0.000 0.947 420 Q HN 0.565 nan 8.270 nan 0.000 0.480 421 L N -0.588 120.462 121.223 -0.287 0.000 2.728 421 L HA 0.214 4.550 4.340 -0.007 0.000 0.238 421 L C 1.299 177.924 176.870 -0.409 0.000 1.143 421 L CA -0.319 54.313 54.840 -0.346 0.000 0.937 421 L CB 0.131 42.026 42.059 -0.272 0.000 1.225 421 L HN 0.190 nan 8.230 nan 0.000 0.507 422 I N 0.221 120.482 120.570 -0.516 0.000 2.179 422 I HA -0.302 3.864 4.170 -0.007 0.000 0.242 422 I C 2.236 178.122 176.117 -0.386 0.000 1.088 422 I CA 1.404 62.398 61.300 -0.510 0.000 1.357 422 I CB 0.041 37.523 38.000 -0.863 0.000 1.051 422 I HN 0.196 nan 8.210 nan 0.000 0.409 423 L N 1.198 122.196 121.223 -0.375 0.000 2.042 423 L HA -0.128 4.208 4.340 -0.007 0.000 0.210 423 L C -0.613 176.070 176.870 -0.312 0.000 1.076 423 L CA 2.332 57.004 54.840 -0.279 0.000 0.749 423 L CB -1.795 40.126 42.059 -0.231 0.000 0.893 423 L HN 0.162 nan 8.230 nan 0.000 0.432 424 P HA -0.061 nan 4.420 nan 0.000 0.218 424 P C 2.000 179.059 177.300 -0.403 0.000 1.152 424 P CA 1.392 64.112 63.100 -0.633 0.000 0.826 424 P CB -0.025 30.893 31.700 -1.304 0.000 0.790 425 M N -1.634 117.759 119.600 -0.345 0.000 2.213 425 M HA -0.133 4.343 4.480 -0.007 0.000 0.263 425 M C 1.922 178.111 176.300 -0.185 0.000 1.062 425 M CA 1.739 56.898 55.300 -0.234 0.000 1.105 425 M CB -0.750 31.720 32.600 -0.217 0.000 1.385 425 M HN -0.061 nan 8.290 nan 0.000 0.417 426 I N 0.245 120.706 120.570 -0.181 0.000 2.235 426 I HA -0.223 3.943 4.170 -0.007 0.000 0.241 426 I C 2.128 178.180 176.117 -0.109 0.000 1.085 426 I CA 1.109 62.329 61.300 -0.132 0.000 1.378 426 I CB -0.280 37.648 38.000 -0.120 0.000 1.076 426 I HN 0.183 nan 8.210 nan 0.000 0.415 427 I N 0.472 120.975 120.570 -0.111 0.000 2.761 427 I HA -0.272 3.894 4.170 -0.007 0.000 0.266 427 I C 2.129 178.221 176.117 -0.041 0.000 1.239 427 I CA 1.168 62.430 61.300 -0.062 0.000 1.451 427 I CB -0.661 37.309 38.000 -0.050 0.000 1.096 427 I HN 0.314 nan 8.210 nan 0.000 0.465 428 T N -0.093 114.417 114.554 -0.073 0.000 2.980 428 T HA 0.066 4.412 4.350 -0.007 0.000 0.239 428 T C 1.908 176.537 174.700 -0.118 0.000 1.011 428 T CA 0.935 62.985 62.100 -0.083 0.000 1.171 428 T CB -0.321 68.478 68.868 -0.115 0.000 0.873 428 T HN 0.457 nan 8.240 nan 0.000 0.431 429 G N 1.190 109.899 108.800 -0.152 0.000 2.498 429 G HA2 -0.094 3.862 3.960 -0.007 0.000 0.219 429 G HA3 -0.094 3.862 3.960 -0.007 0.000 0.219 429 G C 1.442 176.285 174.900 -0.093 0.000 1.119 429 G CA 0.578 45.592 45.100 -0.144 0.000 0.766 429 G HN 0.306 nan 8.290 nan 0.000 0.552 430 L N 0.921 122.097 121.223 -0.080 0.000 2.062 430 L HA 0.320 4.656 4.340 -0.007 0.000 0.202 430 L C 2.901 179.732 176.870 -0.065 0.000 1.079 430 L CA 2.022 56.822 54.840 -0.067 0.000 0.755 430 L CB -1.094 40.932 42.059 -0.055 0.000 0.913 430 L HN 0.125 nan 8.230 nan 0.000 0.445 431 G N -0.736 108.037 108.800 -0.045 0.000 2.517 431 G HA2 -0.338 3.618 3.960 -0.007 0.000 0.222 431 G HA3 -0.338 3.618 3.960 -0.007 0.000 0.222 431 G C 1.530 176.416 174.900 -0.023 0.000 1.109 431 G CA 1.125 46.211 45.100 -0.025 0.000 0.746 431 G HN 0.660 nan 8.290 nan 0.000 0.576 432 A N 0.926 123.730 122.820 -0.027 0.000 1.834 432 A HA -0.103 4.213 4.320 -0.007 0.000 0.216 432 A C 2.672 180.248 177.584 -0.014 0.000 1.203 432 A CA 3.087 55.129 52.037 0.008 0.000 0.621 432 A CB -1.321 17.659 19.000 -0.032 0.000 0.841 432 A HN 0.504 nan 8.150 nan 0.000 0.446 433 T N -0.903 113.619 114.554 -0.053 0.000 2.881 433 T HA -0.036 4.310 4.350 -0.007 0.000 0.270 433 T C 1.700 176.287 174.700 -0.188 0.000 1.068 433 T CA 1.104 63.155 62.100 -0.083 0.000 1.131 433 T CB -0.298 68.525 68.868 -0.075 0.000 0.871 433 T HN 0.164 nan 8.240 nan 0.000 0.479 434 L N 0.138 121.221 121.223 -0.232 0.000 2.131 434 L HA 0.027 4.363 4.340 -0.007 0.000 0.210 434 L C 2.253 178.793 176.870 -0.550 0.000 1.092 434 L CA 1.396 55.952 54.840 -0.473 0.000 0.759 434 L CB -0.847 41.034 42.059 -0.297 0.000 0.903 434 L HN 0.347 nan 8.230 nan 0.000 0.435 435 L N -1.488 119.619 121.223 -0.194 0.000 2.408 435 L HA 0.119 4.455 4.340 -0.007 0.000 0.215 435 L C 2.567 179.433 176.870 -0.006 0.000 1.081 435 L CA 0.977 55.793 54.840 -0.040 0.000 0.840 435 L CB -1.177 40.916 42.059 0.056 0.000 1.002 435 L HN 0.108 nan 8.230 nan 0.000 0.468 436 A N -0.566 122.237 122.820 -0.029 0.000 2.067 436 A HA -0.207 4.109 4.320 -0.007 0.000 0.219 436 A C 2.207 179.792 177.584 0.001 0.000 1.158 436 A CA 1.359 53.398 52.037 0.003 0.000 0.661 436 A CB -0.189 18.818 19.000 0.011 0.000 0.801 436 A HN 0.479 nan 8.150 nan 0.000 0.452 437 Q N -1.119 118.646 119.800 -0.059 0.000 1.940 437 Q HA -0.028 4.308 4.340 -0.007 0.000 0.200 437 Q C 1.137 177.230 176.000 0.154 0.000 0.977 437 Q CA 0.728 56.527 55.803 -0.007 0.000 0.841 437 Q CB -0.229 28.425 28.738 -0.141 0.000 0.901 437 Q HN 0.494 nan 8.270 nan 0.000 0.446 438 F N 1.479 121.453 119.950 0.040 0.000 2.500 438 F HA -0.098 4.425 4.527 -0.007 0.000 0.294 438 F C 1.167 176.990 175.800 0.038 0.000 1.101 438 F CA 1.407 59.430 58.000 0.039 0.000 1.484 438 F CB -1.103 37.922 39.000 0.042 0.000 1.110 438 F HN 0.184 nan 8.300 nan 0.000 0.603 439 T N -2.657 112.018 114.554 0.201 0.000 3.866 439 T HA 0.576 4.922 4.350 -0.007 0.000 0.241 439 T C 0.634 175.384 174.700 0.084 0.000 1.017 439 T CA -0.056 62.120 62.100 0.127 0.000 1.300 439 T CB 0.108 69.040 68.868 0.108 0.000 0.968 439 T HN 0.539 nan 8.240 nan 0.000 0.595 440 G N 1.317 110.169 108.800 0.088 0.000 2.527 440 G HA2 0.256 4.212 3.960 -0.007 0.000 0.268 440 G HA3 0.256 4.212 3.960 -0.007 0.000 0.268 440 G C 0.687 175.618 174.900 0.051 0.000 1.175 440 G CA 0.280 45.418 45.100 0.062 0.000 0.962 440 G HN 2.241 nan 8.290 nan 0.000 0.560 441 G N -1.094 107.725 108.800 0.032 0.000 3.158 441 G HA2 0.245 4.201 3.960 -0.007 0.000 0.538 441 G HA3 0.245 4.201 3.960 -0.007 0.000 0.538 441 G C -0.182 174.742 174.900 0.041 0.000 1.591 441 G CA 1.490 46.604 45.100 0.024 0.000 1.111 441 G HN 1.545 nan 8.290 nan 0.000 0.573 442 K N 0.648 121.075 120.400 0.046 0.000 2.578 442 K HA 0.436 4.752 4.320 -0.007 0.000 0.287 442 K C -2.974 173.674 176.600 0.079 0.000 1.010 442 K CA -1.894 54.430 56.287 0.062 0.000 0.889 442 K CB 2.004 34.544 32.500 0.067 0.000 1.514 442 K HN 0.260 nan 8.250 nan 0.000 0.424 443 P HA -0.115 nan 4.420 nan 0.000 0.247 443 P C 0.733 178.129 177.300 0.161 0.000 1.147 443 P CA 0.247 63.427 63.100 0.133 0.000 0.964 443 P CB 0.107 31.878 31.700 0.118 0.000 0.944 444 L N 3.142 124.467 121.223 0.170 0.000 2.283 444 L HA -0.237 4.099 4.340 -0.007 0.000 0.217 444 L C 0.819 177.733 176.870 0.073 0.000 1.104 444 L CA 2.239 57.151 54.840 0.119 0.000 0.772 444 L CB -0.660 41.475 42.059 0.126 0.000 0.899 444 L HN 0.350 nan 8.230 nan 0.000 0.439 445 Y N -0.970 119.395 120.300 0.108 0.000 2.397 445 Y HA -0.021 4.525 4.550 -0.007 0.000 0.292 445 Y C 2.775 178.717 175.900 0.071 0.000 1.115 445 Y CA 1.181 59.342 58.100 0.101 0.000 1.208 445 Y CB -0.100 38.415 38.460 0.092 0.000 1.046 445 Y HN 0.111 nan 8.280 nan 0.000 0.552 446 S N -0.327 115.495 115.700 0.203 0.000 2.395 446 S HA -0.103 4.363 4.470 -0.007 0.000 0.225 446 S C 2.282 176.942 174.600 0.101 0.000 1.027 446 S CA 0.869 59.152 58.200 0.139 0.000 0.965 446 S CB -0.440 62.841 63.200 0.135 0.000 0.812 446 S HN 0.471 nan 8.310 nan 0.000 0.482 447 A N 1.599 124.471 122.820 0.086 0.000 1.930 447 A HA 0.002 4.318 4.320 -0.007 0.000 0.217 447 A C 2.002 179.607 177.584 0.036 0.000 1.175 447 A CA 1.024 53.093 52.037 0.055 0.000 0.627 447 A CB -0.676 18.352 19.000 0.047 0.000 0.815 447 A HN 0.482 nan 8.150 nan 0.000 0.443 448 I N -0.845 119.744 120.570 0.031 0.000 2.361 448 I HA -0.220 3.946 4.170 -0.007 0.000 0.251 448 I C 2.427 178.555 176.117 0.018 0.000 1.133 448 I CA 1.078 62.383 61.300 0.008 0.000 1.413 448 I CB -0.244 37.746 38.000 -0.016 0.000 1.073 448 I HN 0.402 nan 8.210 nan 0.000 0.424 449 L N 1.232 122.481 121.223 0.042 0.000 2.023 449 L HA -0.079 4.257 4.340 -0.007 0.000 0.205 449 L C 2.659 179.545 176.870 0.028 0.000 1.073 449 L CA 2.114 56.979 54.840 0.041 0.000 0.745 449 L CB -0.871 41.224 42.059 0.060 0.000 0.900 449 L HN 0.159 nan 8.230 nan 0.000 0.435 450 A N -0.010 122.830 122.820 0.033 0.000 1.903 450 A HA -0.278 4.038 4.320 -0.007 0.000 0.219 450 A C 2.394 179.983 177.584 0.008 0.000 1.191 450 A CA 2.230 54.278 52.037 0.019 0.000 0.638 450 A CB -0.657 18.357 19.000 0.023 0.000 0.823 450 A HN 0.535 nan 8.150 nan 0.000 0.451 451 R N -1.109 119.394 120.500 0.006 0.000 2.061 451 R HA -0.086 4.250 4.340 -0.007 0.000 0.230 451 R C 2.272 178.568 176.300 -0.008 0.000 1.140 451 R CA 1.895 57.992 56.100 -0.004 0.000 0.940 451 R CB -1.479 28.814 30.300 -0.010 0.000 0.839 451 R HN 0.588 nan 8.270 nan 0.000 0.429 452 T N 2.185 116.735 114.554 -0.007 0.000 2.849 452 T HA -0.127 4.219 4.350 -0.007 0.000 0.270 452 T C 1.811 176.510 174.700 -0.002 0.000 1.066 452 T CA 0.896 62.991 62.100 -0.008 0.000 1.130 452 T CB -0.166 68.698 68.868 -0.007 0.000 0.864 452 T HN -0.006 nan 8.240 nan 0.000 0.481 453 L N 0.946 122.171 121.223 0.002 0.000 2.095 453 L HA 0.289 4.625 4.340 -0.007 0.000 0.204 453 L C 2.648 179.518 176.870 0.000 0.000 1.080 453 L CA 1.411 56.253 54.840 0.004 0.000 0.759 453 L CB -1.170 40.893 42.059 0.007 0.000 0.914 453 L HN 0.239 nan 8.230 nan 0.000 0.439 454 A N -0.997 121.822 122.820 -0.002 0.000 1.872 454 A HA -0.220 4.096 4.320 -0.007 0.000 0.214 454 A C 2.397 179.978 177.584 -0.004 0.000 1.187 454 A CA 1.632 53.666 52.037 -0.004 0.000 0.614 454 A CB -0.501 18.495 19.000 -0.006 0.000 0.826 454 A HN 0.369 nan 8.150 nan 0.000 0.442 455 K N -0.361 120.036 120.400 -0.006 0.000 2.209 455 K HA -0.220 4.096 4.320 -0.007 0.000 0.204 455 K C 2.221 178.821 176.600 0.000 0.000 1.048 455 K CA 1.475 57.758 56.287 -0.006 0.000 0.940 455 K CB -0.142 32.349 32.500 -0.015 0.000 0.729 455 K HN 0.677 nan 8.250 nan 0.000 0.451 456 Q N 0.961 120.762 119.800 0.001 0.000 1.985 456 Q HA -0.215 4.121 4.340 -0.007 0.000 0.207 456 Q C 0.799 176.802 176.000 0.006 0.000 0.996 456 Q CA 2.021 57.827 55.803 0.005 0.000 0.851 456 Q CB -0.062 28.680 28.738 0.006 0.000 0.921 456 Q HN 0.518 nan 8.270 nan 0.000 0.418 457 E N -1.375 118.827 120.200 0.004 0.000 4.367 457 E HA 0.382 4.728 4.350 -0.007 0.000 0.345 457 E C 0.423 177.025 176.600 0.003 0.000 1.312 457 E CA 0.026 56.428 56.400 0.004 0.000 2.005 457 E CB -0.042 29.659 29.700 0.002 0.000 1.642 457 E HN 0.290 nan 8.360 nan 0.000 0.783 458 A N -0.049 122.772 122.820 0.002 0.000 2.774 458 A HA -0.298 4.018 4.320 -0.007 0.000 0.290 458 A C 0.689 178.275 177.584 0.003 0.000 1.484 458 A CA 1.879 53.917 52.037 0.001 0.000 0.863 458 A CB -2.081 16.919 19.000 -0.001 0.000 0.989 458 A HN 0.633 nan 8.150 nan 0.000 0.554 459 E N -1.197 119.007 120.200 0.006 0.000 3.957 459 E HA 0.202 4.548 4.350 -0.007 0.000 0.172 459 E C -0.233 176.372 176.600 0.009 0.000 1.032 459 E CA 0.395 56.800 56.400 0.008 0.000 1.491 459 E CB -0.108 29.599 29.700 0.011 0.000 1.151 459 E HN 0.864 nan 8.360 nan 0.000 0.410 460 Q N 0.000 119.804 119.800 0.007 0.000 2.315 460 Q HA 0.000 4.336 4.340 -0.007 0.000 0.214 460 Q CA 0.000 55.807 55.803 0.007 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