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 2qbo_1_A DATA FIRST_RESID 10 DATA SEQUENCE NLAPLPPHVP EHLVFDFDMY NPSNLSAGVQ EAWAVLQESN VPDLVWTRCN DATA SEQUENCE GGHWIATRGQ LIREAYEDYR HFSSECPFIP REAGEAYDFI PTSMDPPEQR DATA SEQUENCE QFRALANQVV GMPVVDKLEN RIQELACSLI ESLRPQGQCN FTEDYAEPFP DATA SEQUENCE IRIFMLLAGL PEEDIPHLKY LTDQMTRPDG SMTFAEAKEA LYDYLIPIIE DATA SEQUENCE QRRQKPGTDA ISIVANGQVN GRPITSDEAK RMCGLLLVVG LDTVVNFLSF DATA SEQUENCE SMEFLAKSPE HRQELIERPE RIPAACEELL RRFSLVADGR ILTSDYEFHG DATA SEQUENCE VQLKKGDQIL LPQMLSGLDE RENACPMHVD FSRQKVSHTT FGHGSHLCLG DATA SEQUENCE QHLARREIIV TLKEWLTRIP DFSIAPGAQI QHKSGIVSGV QALPLVWDPA DATA SEQUENCE TTKAV 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 10 N HA 0.000 nan 4.740 nan 0.000 0.220 10 N C 0.000 175.495 175.510 -0.024 0.000 1.280 10 N CA 0.000 53.037 53.050 -0.022 0.000 0.885 10 N CB 0.000 38.477 38.487 -0.016 0.000 1.341 11 L N 1.313 122.524 121.223 -0.021 0.000 2.313 11 L HA 0.756 5.094 4.340 -0.003 0.000 0.283 11 L C 0.870 177.743 176.870 0.005 0.000 1.013 11 L CA -0.803 54.026 54.840 -0.018 0.000 0.816 11 L CB 1.613 43.657 42.059 -0.025 0.000 1.236 11 L HN 0.413 nan 8.230 nan 0.000 0.419 12 A N 5.533 128.367 122.820 0.023 0.000 2.386 12 A HA 0.534 4.852 4.320 -0.003 0.000 0.248 12 A C -2.167 175.453 177.584 0.061 0.000 1.082 12 A CA -1.099 50.967 52.037 0.049 0.000 0.789 12 A CB -0.350 18.697 19.000 0.078 0.000 1.025 12 A HN 0.501 nan 8.150 nan 0.000 0.490 13 P HA 0.072 nan 4.420 nan 0.000 0.264 13 P C -0.417 176.894 177.300 0.017 0.000 1.193 13 P CA -0.205 62.908 63.100 0.023 0.000 0.763 13 P CB 0.384 32.092 31.700 0.013 0.000 0.810 14 L N 7.133 128.341 121.223 -0.026 0.000 2.584 14 L HA 0.145 4.483 4.340 -0.003 0.000 0.272 14 L C -2.014 174.720 176.870 -0.227 0.000 1.195 14 L CA -1.159 53.600 54.840 -0.134 0.000 0.920 14 L CB -0.952 41.014 42.059 -0.155 0.000 1.173 14 L HN 0.309 nan 8.230 nan 0.000 0.489 15 P HA 0.102 nan 4.420 nan 0.000 0.267 15 P C -2.106 175.011 177.300 -0.306 0.000 1.200 15 P CA -0.820 62.083 63.100 -0.328 0.000 0.772 15 P CB 0.134 31.530 31.700 -0.507 0.000 0.855 16 P HA -0.191 nan 4.420 nan 0.000 0.218 16 P C 1.050 178.328 177.300 -0.038 0.000 1.148 16 P CA 1.441 64.511 63.100 -0.049 0.000 0.822 16 P CB -0.361 31.351 31.700 0.018 0.000 0.784 17 H N -2.216 116.788 119.070 -0.109 0.000 2.539 17 H HA 0.153 4.708 4.556 -0.003 0.000 0.267 17 H C -0.119 175.173 175.328 -0.060 0.000 0.982 17 H CA 0.164 56.179 56.048 -0.055 0.000 1.146 17 H CB -0.621 29.139 29.762 -0.003 0.000 1.382 17 H HN -0.073 nan 8.280 nan 0.000 0.577 18 V N 5.619 125.168 119.914 -0.608 0.000 2.364 18 V HA 0.220 4.338 4.120 -0.003 0.000 0.272 18 V C -1.923 174.000 176.094 -0.284 0.000 1.036 18 V CA -1.612 60.353 62.300 -0.557 0.000 0.880 18 V CB 1.556 32.686 31.823 -1.156 0.000 0.991 18 V HN 0.252 nan 8.190 nan 0.000 0.460 19 P HA 0.148 nan 4.420 nan 0.000 0.275 19 P C 0.737 177.991 177.300 -0.078 0.000 1.227 19 P CA -0.288 62.794 63.100 -0.031 0.000 0.781 19 P CB 0.955 32.717 31.700 0.104 0.000 0.906 20 E N 2.657 122.865 120.200 0.013 0.000 2.209 20 E HA -0.264 4.084 4.350 -0.003 0.000 0.196 20 E C 1.382 178.016 176.600 0.057 0.000 0.993 20 E CA 1.183 57.593 56.400 0.018 0.000 0.819 20 E CB -0.810 28.913 29.700 0.038 0.000 0.745 20 E HN 0.629 nan 8.360 nan 0.000 0.477 21 H N 0.902 119.997 119.070 0.042 0.000 2.561 21 H HA 0.055 4.609 4.556 -0.003 0.000 0.278 21 H C 1.545 176.934 175.328 0.101 0.000 1.014 21 H CA 0.560 56.645 56.048 0.062 0.000 1.211 21 H CB -0.185 29.607 29.762 0.050 0.000 1.365 21 H HN 0.253 nan 8.280 nan 0.000 0.594 22 L N 1.291 122.337 121.223 -0.295 0.000 2.640 22 L HA 0.196 4.534 4.340 -0.003 0.000 0.230 22 L C 0.091 177.021 176.870 0.099 0.000 1.123 22 L CA -0.273 54.508 54.840 -0.098 0.000 0.900 22 L CB 0.821 42.830 42.059 -0.082 0.000 1.146 22 L HN -0.031 nan 8.230 nan 0.000 0.484 23 V N 0.736 120.701 119.914 0.085 0.000 2.455 23 V HA 0.080 4.199 4.120 -0.003 0.000 0.273 23 V C -0.602 175.597 176.094 0.176 0.000 1.045 23 V CA 0.157 62.538 62.300 0.134 0.000 0.976 23 V CB 0.899 32.765 31.823 0.072 0.000 0.993 23 V HN 0.085 nan 8.190 nan 0.000 0.475 24 F N 3.704 123.661 119.950 0.012 0.000 2.902 24 F HA 0.401 4.927 4.527 -0.003 0.000 0.368 24 F C 0.213 175.995 175.800 -0.030 0.000 1.202 24 F CA -0.813 57.184 58.000 -0.004 0.000 1.109 24 F CB 1.236 40.232 39.000 -0.006 0.000 1.418 24 F HN 0.512 nan 8.300 nan 0.000 0.527 25 D N 6.094 126.354 120.400 -0.234 0.000 2.662 25 D HA -0.039 4.599 4.640 -0.003 0.000 0.228 25 D C -0.302 175.923 176.300 -0.125 0.000 1.090 25 D CA 0.570 54.466 54.000 -0.172 0.000 1.118 25 D CB -0.354 40.336 40.800 -0.183 0.000 1.129 25 D HN 0.233 nan 8.370 nan 0.000 0.472 26 F N 1.657 121.530 119.950 -0.128 0.000 2.410 26 F HA 0.165 4.691 4.527 -0.003 0.000 0.348 26 F C 0.345 176.037 175.800 -0.181 0.000 1.106 26 F CA -0.904 57.032 58.000 -0.108 0.000 1.163 26 F CB 1.008 40.002 39.000 -0.010 0.000 1.129 26 F HN -0.135 nan 8.300 nan 0.000 0.516 27 D N 7.256 127.132 120.400 -0.874 0.000 2.454 27 D HA 0.104 4.743 4.640 -0.003 0.000 0.225 27 D C 0.952 176.683 176.300 -0.948 0.000 1.081 27 D CA -0.401 53.229 54.000 -0.617 0.000 0.864 27 D CB 0.929 41.507 40.800 -0.370 0.000 1.040 27 D HN 0.761 nan 8.370 nan 0.000 0.517 28 M N 1.873 121.093 119.600 -0.632 0.000 2.539 28 M HA -0.081 4.397 4.480 -0.003 0.000 0.261 28 M C 0.109 176.191 176.300 -0.363 0.000 1.069 28 M CA 1.222 56.205 55.300 -0.528 0.000 1.081 28 M CB -0.144 32.337 32.600 -0.198 0.000 1.412 28 M HN 0.222 nan 8.290 nan 0.000 0.482 29 Y N 0.487 120.712 120.300 -0.125 0.000 2.458 29 Y HA 0.315 4.863 4.550 -0.003 0.000 0.256 29 Y C 0.432 176.295 175.900 -0.062 0.000 1.159 29 Y CA -0.226 57.854 58.100 -0.034 0.000 1.261 29 Y CB 0.624 39.070 38.460 -0.024 0.000 1.119 29 Y HN 0.458 nan 8.280 nan 0.000 0.524 30 N N 0.903 119.567 118.700 -0.061 0.000 2.926 30 N HA 0.072 4.810 4.740 -0.003 0.000 0.201 30 N C -3.291 172.086 175.510 -0.221 0.000 1.419 30 N CA -0.935 52.071 53.050 -0.074 0.000 0.838 30 N CB 0.884 39.352 38.487 -0.032 0.000 1.534 30 N HN -0.188 nan 8.380 nan 0.000 0.569 31 P HA 0.055 nan 4.420 nan 0.000 0.271 31 P C 0.961 178.165 177.300 -0.159 0.000 1.216 31 P CA 0.050 62.901 63.100 -0.416 0.000 0.771 31 P CB 1.400 32.863 31.700 -0.394 0.000 0.864 32 S N 1.967 117.586 115.700 -0.136 0.000 2.440 32 S HA -0.203 4.266 4.470 -0.003 0.000 0.238 32 S C 1.268 175.867 174.600 -0.003 0.000 1.010 32 S CA 1.239 59.405 58.200 -0.057 0.000 0.972 32 S CB -0.836 62.331 63.200 -0.055 0.000 0.774 32 S HN 0.519 nan 8.310 nan 0.000 0.501 33 N N 0.195 118.915 118.700 0.033 0.000 2.279 33 N HA 0.241 4.980 4.740 -0.003 0.000 0.226 33 N C 0.956 176.512 175.510 0.077 0.000 1.126 33 N CA -0.167 52.920 53.050 0.061 0.000 0.846 33 N CB -0.202 38.340 38.487 0.092 0.000 1.050 33 N HN 0.275 nan 8.380 nan 0.000 0.502 34 L N 0.553 121.817 121.223 0.068 0.000 2.081 34 L HA -0.173 4.165 4.340 -0.003 0.000 0.212 34 L C 2.135 179.047 176.870 0.070 0.000 1.080 34 L CA 2.039 56.939 54.840 0.100 0.000 0.754 34 L CB -1.093 41.018 42.059 0.088 0.000 0.893 34 L HN 0.369 nan 8.230 nan 0.000 0.433 35 S N -0.945 114.778 115.700 0.037 0.000 2.440 35 S HA -0.118 4.351 4.470 -0.003 0.000 0.238 35 S C 1.793 176.392 174.600 -0.002 0.000 1.010 35 S CA 0.796 59.002 58.200 0.009 0.000 0.972 35 S CB -0.816 62.390 63.200 0.011 0.000 0.774 35 S HN 0.504 nan 8.310 nan 0.000 0.501 36 A N 0.767 123.604 122.820 0.028 0.000 2.307 36 A HA 0.619 4.938 4.320 -0.003 0.000 0.218 36 A C 1.072 178.687 177.584 0.051 0.000 1.228 36 A CA 0.172 52.231 52.037 0.036 0.000 0.857 36 A CB -0.728 18.305 19.000 0.055 0.000 0.897 36 A HN 1.612 nan 8.150 nan 0.000 0.495 37 G N -2.037 106.786 108.800 0.038 0.000 2.885 37 G HA2 0.087 4.045 3.960 -0.003 0.000 0.685 37 G HA3 0.087 4.045 3.960 -0.003 0.000 0.685 37 G C 0.416 175.508 174.900 0.319 0.000 1.216 37 G CA -0.191 44.988 45.100 0.131 0.000 0.790 37 G HN 0.870 nan 8.290 nan 0.000 0.631 38 V N 1.716 121.985 119.914 0.592 0.000 2.343 38 V HA -0.182 3.937 4.120 -0.003 0.000 0.247 38 V C 2.710 179.029 176.094 0.375 0.000 1.051 38 V CA 3.363 65.942 62.300 0.465 0.000 1.036 38 V CB -0.360 31.732 31.823 0.448 0.000 0.654 38 V HN 0.826 nan 8.190 nan 0.000 0.451 39 Q N -0.030 119.875 119.800 0.176 0.000 2.096 39 Q HA -0.228 4.110 4.340 -0.003 0.000 0.204 39 Q C 2.092 178.182 176.000 0.149 0.000 0.982 39 Q CA 2.293 58.134 55.803 0.064 0.000 0.850 39 Q CB -0.306 28.378 28.738 -0.090 0.000 0.901 39 Q HN 0.714 nan 8.270 nan 0.000 0.422 40 E N -0.031 120.262 120.200 0.154 0.000 2.150 40 E HA -0.115 4.233 4.350 -0.003 0.000 0.193 40 E C 1.781 178.485 176.600 0.174 0.000 0.985 40 E CA 1.130 57.608 56.400 0.130 0.000 0.814 40 E CB -0.299 29.468 29.700 0.111 0.000 0.752 40 E HN 0.410 nan 8.360 nan 0.000 0.466 41 A N -0.187 122.781 122.820 0.246 0.000 1.930 41 A HA -0.154 4.165 4.320 -0.003 0.000 0.217 41 A C 1.657 179.422 177.584 0.302 0.000 1.175 41 A CA 1.154 53.344 52.037 0.256 0.000 0.627 41 A CB -0.832 18.324 19.000 0.260 0.000 0.815 41 A HN 0.348 nan 8.150 nan 0.000 0.443 42 W N -0.425 120.972 121.300 0.162 0.000 2.476 42 W HA 0.184 4.843 4.660 -0.002 0.000 0.281 42 W C 2.585 179.035 176.519 -0.116 0.000 1.230 42 W CA 0.845 58.211 57.345 0.035 0.000 1.287 42 W CB -0.328 29.131 29.460 -0.003 0.000 1.108 42 W HN 0.338 nan 8.180 nan 0.000 0.567 43 A N 0.554 123.465 122.820 0.152 0.000 2.186 43 A HA -0.134 4.184 4.320 -0.003 0.000 0.219 43 A C 1.972 179.548 177.584 -0.014 0.000 1.159 43 A CA 1.839 53.898 52.037 0.036 0.000 0.680 43 A CB -1.213 17.807 19.000 0.033 0.000 0.787 43 A HN 0.275 nan 8.150 nan 0.000 0.467 44 V N -2.603 117.318 119.914 0.011 0.000 2.759 44 V HA -0.128 3.991 4.120 -0.003 0.000 0.256 44 V C 1.933 177.945 176.094 -0.137 0.000 1.080 44 V CA 1.763 64.074 62.300 0.017 0.000 1.101 44 V CB -0.873 31.039 31.823 0.149 0.000 0.698 44 V HN 0.452 nan 8.190 nan 0.000 0.477 45 L N -0.312 120.738 121.223 -0.289 0.000 2.551 45 L HA 0.039 4.378 4.340 -0.003 0.000 0.228 45 L C 2.288 178.949 176.870 -0.348 0.000 1.153 45 L CA 1.068 55.599 54.840 -0.514 0.000 0.851 45 L CB -0.369 41.349 42.059 -0.568 0.000 0.959 45 L HN 0.409 nan 8.230 nan 0.000 0.451 46 Q N -0.462 119.215 119.800 -0.204 0.000 2.175 46 Q HA 0.151 4.489 4.340 -0.003 0.000 0.225 46 Q C -0.167 175.771 176.000 -0.103 0.000 0.837 46 Q CA -0.181 55.536 55.803 -0.142 0.000 1.032 46 Q CB 0.660 29.338 28.738 -0.099 0.000 1.137 46 Q HN 0.429 nan 8.270 nan 0.000 0.483 47 E N 0.353 120.490 120.200 -0.106 0.000 2.374 47 E HA 0.010 4.359 4.350 -0.003 0.000 0.260 47 E C 0.985 177.554 176.600 -0.051 0.000 1.101 47 E CA 0.324 56.692 56.400 -0.053 0.000 0.907 47 E CB 0.999 30.689 29.700 -0.017 0.000 1.014 47 E HN 0.196 nan 8.360 nan 0.000 0.427 48 S N 1.875 117.560 115.700 -0.025 0.000 2.380 48 S HA -0.302 4.166 4.470 -0.003 0.000 0.229 48 S C 1.210 175.802 174.600 -0.013 0.000 1.043 48 S CA 2.137 60.326 58.200 -0.018 0.000 1.038 48 S CB -0.710 62.487 63.200 -0.006 0.000 0.872 48 S HN 0.723 nan 8.310 nan 0.000 0.456 49 N N 0.453 119.154 118.700 0.002 0.000 2.370 49 N HA 0.193 4.932 4.740 -0.003 0.000 0.198 49 N C -0.547 174.972 175.510 0.014 0.000 1.156 49 N CA -0.225 52.838 53.050 0.021 0.000 0.839 49 N CB 0.190 38.707 38.487 0.051 0.000 0.989 49 N HN 0.249 nan 8.380 nan 0.000 0.468 50 V N 1.743 121.626 119.914 -0.052 0.000 2.394 50 V HA 0.345 4.463 4.120 -0.003 0.000 0.282 50 V C -1.923 174.109 176.094 -0.103 0.000 1.031 50 V CA -1.737 60.484 62.300 -0.131 0.000 0.881 50 V CB 1.170 32.781 31.823 -0.355 0.000 0.982 50 V HN 0.078 nan 8.190 nan 0.000 0.451 51 P HA 0.159 nan 4.420 nan 0.000 0.271 51 P C 0.214 177.471 177.300 -0.071 0.000 1.233 51 P CA -0.257 62.827 63.100 -0.028 0.000 0.789 51 P CB 0.617 32.334 31.700 0.029 0.000 0.951 52 D N -0.324 120.036 120.400 -0.066 0.000 2.264 52 D HA -0.011 4.628 4.640 -0.003 0.000 0.208 52 D C 0.260 176.506 176.300 -0.091 0.000 0.966 52 D CA 1.335 55.273 54.000 -0.104 0.000 0.864 52 D CB -0.118 40.600 40.800 -0.137 0.000 0.933 52 D HN 0.042 nan 8.370 nan 0.000 0.499 53 L N 0.494 121.697 121.223 -0.032 0.000 2.439 53 L HA 0.355 4.693 4.340 -0.003 0.000 0.270 53 L C -0.831 176.139 176.870 0.167 0.000 0.972 53 L CA -1.010 53.858 54.840 0.047 0.000 0.836 53 L CB 1.912 43.971 42.059 0.001 0.000 1.255 53 L HN -0.150 nan 8.230 nan 0.000 0.404 54 V N 1.344 121.409 119.914 0.252 0.000 3.126 54 V HA 0.699 4.818 4.120 -0.003 0.000 0.314 54 V C -1.434 174.934 176.094 0.455 0.000 1.138 54 V CA -0.784 61.702 62.300 0.311 0.000 1.034 54 V CB 2.177 34.077 31.823 0.127 0.000 1.075 54 V HN 0.916 nan 8.190 nan 0.000 0.442 55 W N 1.765 123.097 121.300 0.053 0.000 2.587 55 W HA 0.687 5.345 4.660 -0.003 0.000 0.324 55 W C -1.018 175.368 176.519 -0.222 0.000 1.040 55 W CA -0.211 56.951 57.345 -0.305 0.000 1.222 55 W CB 1.947 30.941 29.460 -0.777 0.000 1.381 55 W HN 0.893 nan 8.180 nan 0.000 0.483 56 T N 5.095 119.129 114.554 -0.867 0.000 2.859 56 T HA 0.400 4.748 4.350 -0.003 0.000 0.281 56 T C 0.845 175.056 174.700 -0.815 0.000 1.005 56 T CA -0.450 61.288 62.100 -0.604 0.000 1.025 56 T CB 1.213 69.785 68.868 -0.493 0.000 0.977 56 T HN 0.629 nan 8.240 nan 0.000 0.458 57 R N 1.882 122.195 120.500 -0.311 0.000 2.317 57 R HA 0.225 4.563 4.340 -0.003 0.000 0.208 57 R C 0.463 176.672 176.300 -0.151 0.000 0.914 57 R CA -0.229 55.792 56.100 -0.131 0.000 1.060 57 R CB -0.237 30.078 30.300 0.025 0.000 1.015 57 R HN 0.540 nan 8.270 nan 0.000 0.498 58 C N 1.166 120.339 119.300 -0.212 0.000 2.580 58 C HA 0.123 4.582 4.460 -0.003 0.000 0.371 58 C C 0.871 175.826 174.990 -0.058 0.000 1.308 58 C CA -0.510 58.435 59.018 -0.121 0.000 2.428 58 C CB 0.163 27.827 27.740 -0.128 0.000 2.529 58 C HN 0.665 nan 8.230 nan 0.000 0.657 59 N N 0.590 119.303 118.700 0.021 0.000 2.716 59 N HA -0.146 4.592 4.740 -0.003 0.000 0.250 59 N C 0.739 176.301 175.510 0.086 0.000 1.033 59 N CA 0.949 54.053 53.050 0.090 0.000 0.727 59 N CB -1.134 37.473 38.487 0.200 0.000 0.950 59 N HN 1.359 nan 8.380 nan 0.000 0.541 60 G N -1.987 106.838 108.800 0.043 0.000 2.217 60 G HA2 0.093 4.051 3.960 -0.003 0.000 0.246 60 G HA3 0.093 4.051 3.960 -0.003 0.000 0.246 60 G C 0.551 175.480 174.900 0.049 0.000 0.990 60 G CA 0.314 45.448 45.100 0.056 0.000 0.627 60 G HN 1.634 nan 8.290 nan 0.000 0.522 61 G N -0.711 108.042 108.800 -0.079 0.000 3.190 61 G HA2 0.573 4.532 3.960 -0.003 0.000 0.686 61 G HA3 0.573 4.532 3.960 -0.003 0.000 0.686 61 G C -0.530 173.902 174.900 -0.779 0.000 1.033 61 G CA 0.652 45.528 45.100 -0.374 0.000 0.797 61 G HN 2.909 nan 8.290 nan 0.000 0.567 62 H N -1.653 116.368 119.070 -1.749 0.000 2.969 62 H HA 0.621 5.175 4.556 -0.003 0.000 0.304 62 H C -0.644 174.012 175.328 -1.121 0.000 1.400 62 H CA -1.586 53.688 56.048 -1.289 0.000 1.182 62 H CB -0.017 29.485 29.762 -0.432 0.000 1.865 62 H HN 0.688 nan 8.280 nan 0.000 0.512 63 W N 0.880 122.118 121.300 -0.103 0.000 2.183 63 W HA 0.631 5.290 4.660 -0.003 0.000 0.348 63 W C -0.199 176.397 176.519 0.127 0.000 1.257 63 W CA -0.552 56.852 57.345 0.098 0.000 1.324 63 W CB 0.806 30.428 29.460 0.269 0.000 1.144 63 W HN 0.458 nan 8.180 nan 0.000 0.622 64 I N 2.258 123.045 120.570 0.361 0.000 2.548 64 I HA 0.328 4.497 4.170 -0.003 0.000 0.287 64 I C -0.406 175.779 176.117 0.113 0.000 1.103 64 I CA -1.106 60.310 61.300 0.192 0.000 1.049 64 I CB 1.372 39.419 38.000 0.078 0.000 1.232 64 I HN 0.444 nan 8.210 nan 0.000 0.429 65 A N 3.280 126.130 122.820 0.050 0.000 2.320 65 A HA 0.519 4.837 4.320 -0.003 0.000 0.287 65 A C 0.946 178.496 177.584 -0.055 0.000 1.181 65 A CA -0.057 51.969 52.037 -0.019 0.000 0.831 65 A CB 0.303 19.263 19.000 -0.067 0.000 1.102 65 A HN 0.853 nan 8.150 nan 0.000 0.513 66 T N -0.259 114.239 114.554 -0.093 0.000 3.040 66 T HA 0.241 4.590 4.350 -0.003 0.000 0.250 66 T C 0.629 175.262 174.700 -0.112 0.000 1.058 66 T CA -0.052 61.974 62.100 -0.123 0.000 0.988 66 T CB 0.083 68.845 68.868 -0.176 0.000 0.993 66 T HN 0.524 nan 8.240 nan 0.000 0.519 67 R N 0.217 120.649 120.500 -0.113 0.000 2.740 67 R HA 0.603 4.941 4.340 -0.003 0.000 0.282 67 R C 1.481 177.720 176.300 -0.101 0.000 0.969 67 R CA -0.323 55.712 56.100 -0.107 0.000 0.918 67 R CB 1.146 31.375 30.300 -0.119 0.000 1.175 67 R HN 0.209 nan 8.270 nan 0.000 0.464 68 G N 0.873 109.621 108.800 -0.086 0.000 2.442 68 G HA2 -0.335 3.624 3.960 -0.003 0.000 0.219 68 G HA3 -0.335 3.624 3.960 -0.003 0.000 0.219 68 G C 1.136 175.979 174.900 -0.095 0.000 1.141 68 G CA 0.848 45.897 45.100 -0.084 0.000 0.763 68 G HN 0.506 nan 8.290 nan 0.000 0.554 69 Q N -0.005 119.740 119.800 -0.091 0.000 2.030 69 Q HA -0.081 4.258 4.340 -0.003 0.000 0.204 69 Q C 2.384 178.331 176.000 -0.090 0.000 0.986 69 Q CA 1.409 57.167 55.803 -0.075 0.000 0.843 69 Q CB -0.491 28.210 28.738 -0.063 0.000 0.904 69 Q HN 0.390 nan 8.270 nan 0.000 0.420 70 L N -0.320 120.794 121.223 -0.181 0.000 2.093 70 L HA -0.063 4.275 4.340 -0.003 0.000 0.208 70 L C 2.267 179.104 176.870 -0.055 0.000 1.085 70 L CA 1.228 55.954 54.840 -0.190 0.000 0.755 70 L CB -0.521 41.342 42.059 -0.327 0.000 0.904 70 L HN 0.286 nan 8.230 nan 0.000 0.435 71 I N -0.836 119.673 120.570 -0.101 0.000 2.127 71 I HA -0.336 3.832 4.170 -0.003 0.000 0.241 71 I C 2.665 178.756 176.117 -0.044 0.000 1.075 71 I CA 1.323 62.554 61.300 -0.116 0.000 1.334 71 I CB -0.302 37.675 38.000 -0.039 0.000 1.040 71 I HN 0.196 nan 8.210 nan 0.000 0.405 72 R N 0.565 121.030 120.500 -0.057 0.000 2.073 72 R HA -0.182 4.157 4.340 -0.003 0.000 0.234 72 R C 2.246 178.625 176.300 0.132 0.000 1.134 72 R CA 1.537 57.561 56.100 -0.126 0.000 0.952 72 R CB -0.352 29.729 30.300 -0.364 0.000 0.850 72 R HN 0.424 nan 8.270 nan 0.000 0.433 73 E N 0.337 120.612 120.200 0.125 0.000 2.058 73 E HA -0.212 4.136 4.350 -0.003 0.000 0.194 73 E C 2.077 178.797 176.600 0.201 0.000 0.997 73 E CA 1.273 57.819 56.400 0.244 0.000 0.801 73 E CB -0.118 29.799 29.700 0.362 0.000 0.746 73 E HN 0.393 nan 8.360 nan 0.000 0.450 74 A N 0.453 123.236 122.820 -0.062 0.000 1.902 74 A HA -0.188 4.130 4.320 -0.003 0.000 0.217 74 A C 1.829 179.264 177.584 -0.248 0.000 1.181 74 A CA 1.264 52.919 52.037 -0.636 0.000 0.623 74 A CB -0.737 17.492 19.000 -1.285 0.000 0.818 74 A HN 0.268 nan 8.150 nan 0.000 0.443 75 Y N 0.493 120.805 120.300 0.020 0.000 2.352 75 Y HA -0.096 4.452 4.550 -0.002 0.000 0.292 75 Y C 2.334 178.382 175.900 0.247 0.000 1.136 75 Y CA 1.340 59.535 58.100 0.158 0.000 1.227 75 Y CB -0.277 38.311 38.460 0.214 0.000 0.991 75 Y HN 0.499 nan 8.280 nan 0.000 0.545 76 E N -0.868 119.572 120.200 0.401 0.000 2.170 76 E HA -0.118 4.230 4.350 -0.003 0.000 0.191 76 E C 0.347 177.117 176.600 0.284 0.000 0.981 76 E CA 0.778 57.373 56.400 0.326 0.000 0.830 76 E CB 0.053 29.926 29.700 0.287 0.000 0.775 76 E HN 0.156 nan 8.360 nan 0.000 0.470 77 D N 0.316 120.875 120.400 0.265 0.000 2.563 77 D HA -0.014 4.625 4.640 -0.003 0.000 0.222 77 D C 0.418 176.808 176.300 0.151 0.000 1.145 77 D CA -0.409 53.681 54.000 0.149 0.000 1.001 77 D CB -0.146 40.819 40.800 0.276 0.000 1.049 77 D HN 0.180 nan 8.370 nan 0.000 0.515 78 Y N 0.839 121.228 120.300 0.149 0.000 2.509 78 Y HA 0.095 4.643 4.550 -0.002 0.000 0.293 78 Y C 1.771 177.668 175.900 -0.004 0.000 1.133 78 Y CA 0.289 58.463 58.100 0.122 0.000 1.283 78 Y CB -0.336 38.203 38.460 0.131 0.000 1.001 78 Y HN 0.060 nan 8.280 nan 0.000 0.555 79 R N -0.234 119.974 120.500 -0.487 0.000 2.115 79 R HA -0.084 4.254 4.340 -0.003 0.000 0.230 79 R C 1.341 177.337 176.300 -0.507 0.000 1.111 79 R CA 1.971 57.790 56.100 -0.468 0.000 0.976 79 R CB -0.395 29.519 30.300 -0.644 0.000 0.870 79 R HN 0.576 nan 8.270 nan 0.000 0.445 80 H N -2.043 116.769 119.070 -0.431 0.000 2.476 80 H HA 0.135 4.689 4.556 -0.003 0.000 0.292 80 H C -0.270 174.608 175.328 -0.751 0.000 1.019 80 H CA 0.098 55.708 56.048 -0.729 0.000 1.330 80 H CB 0.524 29.505 29.762 -1.301 0.000 1.451 80 H HN -0.043 nan 8.280 nan 0.000 0.535 81 F N 1.293 121.220 119.950 -0.037 0.000 2.291 81 F HA 0.287 4.812 4.527 -0.003 0.000 0.368 81 F C 0.273 176.102 175.800 0.049 0.000 1.085 81 F CA -0.701 57.285 58.000 -0.023 0.000 1.165 81 F CB 1.141 40.089 39.000 -0.088 0.000 1.429 81 F HN -0.092 nan 8.300 nan 0.000 0.503 82 S N 0.964 116.757 115.700 0.154 0.000 2.586 82 S HA 0.249 4.717 4.470 -0.003 0.000 0.274 82 S C 1.045 175.715 174.600 0.116 0.000 1.281 82 S CA -0.502 57.785 58.200 0.144 0.000 1.035 82 S CB 1.058 64.310 63.200 0.087 0.000 0.962 82 S HN 0.500 nan 8.310 nan 0.000 0.512 83 S N 2.736 118.494 115.700 0.098 0.000 2.631 83 S HA 0.062 4.530 4.470 -0.003 0.000 0.217 83 S C 1.451 176.033 174.600 -0.030 0.000 0.958 83 S CA -0.011 58.182 58.200 -0.012 0.000 0.920 83 S CB -0.199 62.922 63.200 -0.131 0.000 0.776 83 S HN 0.870 nan 8.310 nan 0.000 0.517 84 E N 0.311 120.522 120.200 0.019 0.000 2.153 84 E HA -0.141 4.208 4.350 -0.003 0.000 0.194 84 E C 0.375 176.964 176.600 -0.019 0.000 0.988 84 E CA 0.737 57.146 56.400 0.015 0.000 0.811 84 E CB 0.127 29.846 29.700 0.033 0.000 0.746 84 E HN 0.411 nan 8.360 nan 0.000 0.466 85 C N 1.410 120.689 119.300 -0.034 0.000 3.164 85 C HA 0.428 4.886 4.460 -0.003 0.000 0.250 85 C C -2.017 172.923 174.990 -0.083 0.000 1.151 85 C CA -1.561 57.421 59.018 -0.059 0.000 1.449 85 C CB 1.014 28.752 27.740 -0.004 0.000 1.825 85 C HN 0.282 nan 8.230 nan 0.000 0.478 86 P HA 0.124 nan 4.420 nan 0.000 0.245 86 P C 0.149 177.509 177.300 0.099 0.000 1.203 86 P CA 0.481 63.491 63.100 -0.151 0.000 0.792 86 P CB 0.248 31.714 31.700 -0.390 0.000 0.997 87 F N 0.051 119.803 119.950 -0.330 0.000 2.507 87 F HA 0.435 4.960 4.527 -0.003 0.000 0.327 87 F C 0.725 176.426 175.800 -0.165 0.000 1.068 87 F CA -1.524 56.330 58.000 -0.243 0.000 0.965 87 F CB 1.806 40.621 39.000 -0.308 0.000 1.192 87 F HN -0.351 nan 8.300 nan 0.000 0.476 88 I N 3.844 124.421 120.570 0.012 0.000 2.441 88 I HA 0.308 4.476 4.170 -0.003 0.000 0.295 88 I C -2.085 174.118 176.117 0.143 0.000 0.994 88 I CA -2.619 58.666 61.300 -0.025 0.000 1.144 88 I CB 1.597 39.446 38.000 -0.252 0.000 1.314 88 I HN 0.255 nan 8.210 nan 0.000 0.445 89 P HA 0.217 nan 4.420 nan 0.000 0.275 89 P C 0.673 178.000 177.300 0.046 0.000 1.266 89 P CA -0.466 62.678 63.100 0.074 0.000 0.793 89 P CB 1.194 32.934 31.700 0.066 0.000 1.074 90 R N 0.351 120.878 120.500 0.045 0.000 2.117 90 R HA -0.214 4.124 4.340 -0.003 0.000 0.243 90 R C 1.856 178.173 176.300 0.028 0.000 1.143 90 R CA 2.070 58.194 56.100 0.040 0.000 0.968 90 R CB -0.307 30.029 30.300 0.059 0.000 0.863 90 R HN 0.435 nan 8.270 nan 0.000 0.444 91 E N 0.129 120.351 120.200 0.037 0.000 2.077 91 E HA -0.162 4.186 4.350 -0.003 0.000 0.193 91 E C 1.837 178.456 176.600 0.032 0.000 0.989 91 E CA 1.495 57.921 56.400 0.044 0.000 0.800 91 E CB -0.272 29.463 29.700 0.058 0.000 0.746 91 E HN 0.469 nan 8.360 nan 0.000 0.452 92 A N 0.875 123.697 122.820 0.003 0.000 1.855 92 A HA -0.017 4.301 4.320 -0.003 0.000 0.215 92 A C 2.513 179.874 177.584 -0.371 0.000 1.191 92 A CA 1.666 53.595 52.037 -0.179 0.000 0.613 92 A CB -1.347 17.602 19.000 -0.084 0.000 0.829 92 A HN 0.348 nan 8.150 nan 0.000 0.442 93 G N -0.443 108.262 108.800 -0.158 0.000 2.440 93 G HA2 -0.241 3.717 3.960 -0.003 0.000 0.218 93 G HA3 -0.241 3.717 3.960 -0.003 0.000 0.218 93 G C 1.437 176.273 174.900 -0.107 0.000 1.154 93 G CA 1.095 46.104 45.100 -0.151 0.000 0.767 93 G HN 0.664 nan 8.290 nan 0.000 0.552 94 E N 0.358 120.530 120.200 -0.047 0.000 2.072 94 E HA 0.022 4.370 4.350 -0.003 0.000 0.191 94 E C 2.875 179.478 176.600 0.004 0.000 0.985 94 E CA 0.703 57.099 56.400 -0.007 0.000 0.801 94 E CB -0.136 29.574 29.700 0.017 0.000 0.750 94 E HN 0.423 nan 8.360 nan 0.000 0.452 95 A N 0.762 123.592 122.820 0.017 0.000 2.066 95 A HA -0.120 4.199 4.320 -0.003 0.000 0.218 95 A C 0.758 178.384 177.584 0.070 0.000 1.157 95 A CA 0.203 52.291 52.037 0.085 0.000 0.670 95 A CB -0.416 18.720 19.000 0.227 0.000 0.804 95 A HN 0.291 nan 8.150 nan 0.000 0.453 96 Y N 2.368 122.527 120.300 -0.235 0.000 2.677 96 Y HA 0.195 4.743 4.550 -0.003 0.000 0.335 96 Y C 0.315 176.048 175.900 -0.279 0.000 1.162 96 Y CA -0.140 57.729 58.100 -0.385 0.000 1.483 96 Y CB 0.457 38.475 38.460 -0.736 0.000 1.209 96 Y HN 0.454 nan 8.280 nan 0.000 0.528 97 D N 3.746 123.915 120.400 -0.384 0.000 2.594 97 D HA 0.028 4.666 4.640 -0.003 0.000 0.256 97 D C -0.592 175.628 176.300 -0.133 0.000 1.393 97 D CA -0.357 53.559 54.000 -0.139 0.000 0.797 97 D CB -0.980 39.779 40.800 -0.069 0.000 1.110 97 D HN 0.156 nan 8.370 nan 0.000 0.495 98 F N 1.253 121.051 119.950 -0.253 0.000 2.589 98 F HA 0.262 4.788 4.527 -0.003 0.000 0.352 98 F C 1.246 177.030 175.800 -0.028 0.000 1.168 98 F CA -0.383 57.517 58.000 -0.166 0.000 1.353 98 F CB 0.410 39.204 39.000 -0.342 0.000 1.116 98 F HN -0.118 nan 8.300 nan 0.000 0.608 99 I N 4.789 125.462 120.570 0.172 0.000 2.441 99 I HA 0.243 4.411 4.170 -0.003 0.000 0.295 99 I C -1.753 174.413 176.117 0.081 0.000 0.994 99 I CA -1.726 59.583 61.300 0.014 0.000 1.144 99 I CB 2.487 40.352 38.000 -0.225 0.000 1.314 99 I HN 0.366 nan 8.210 nan 0.000 0.445 100 P HA 0.072 nan 4.420 nan 0.000 0.269 100 P C 0.995 178.454 177.300 0.264 0.000 1.478 100 P CA 0.055 63.227 63.100 0.120 0.000 1.045 100 P CB 0.039 31.834 31.700 0.159 0.000 1.512 101 T N -2.136 112.587 114.554 0.282 0.000 2.881 101 T HA -0.129 4.219 4.350 -0.003 0.000 0.270 101 T C 1.721 176.490 174.700 0.114 0.000 1.068 101 T CA 1.760 64.000 62.100 0.234 0.000 1.131 101 T CB -1.102 67.952 68.868 0.310 0.000 0.871 101 T HN 0.227 nan 8.240 nan 0.000 0.479 102 S N 0.279 116.118 115.700 0.232 0.000 2.605 102 S HA 0.383 4.852 4.470 -0.003 0.000 0.217 102 S C 0.522 175.181 174.600 0.098 0.000 0.958 102 S CA -0.727 57.558 58.200 0.142 0.000 0.919 102 S CB -0.586 62.751 63.200 0.227 0.000 0.780 102 S HN 0.490 nan 8.310 nan 0.000 0.507 103 M N 1.768 121.458 119.600 0.150 0.000 2.537 103 M HA 0.539 5.017 4.480 -0.003 0.000 0.324 103 M C -0.968 175.462 176.300 0.218 0.000 1.187 103 M CA -0.665 54.720 55.300 0.141 0.000 0.993 103 M CB 1.277 33.937 32.600 0.099 0.000 1.666 103 M HN 0.005 nan 8.290 nan 0.000 0.461 104 D N 1.331 121.815 120.400 0.140 0.000 2.326 104 D HA 0.530 5.169 4.640 -0.003 0.000 0.248 104 D C -2.502 173.767 176.300 -0.053 0.000 1.001 104 D CA -1.272 52.788 54.000 0.101 0.000 0.961 104 D CB 1.504 42.393 40.800 0.149 0.000 1.183 104 D HN 0.156 nan 8.370 nan 0.000 0.502 105 P HA 0.123 nan 4.420 nan 0.000 0.272 105 P C -1.717 175.516 177.300 -0.110 0.000 1.230 105 P CA -0.786 62.110 63.100 -0.339 0.000 0.788 105 P CB 0.431 31.655 31.700 -0.793 0.000 0.949 106 P HA -0.052 nan 4.420 nan 0.000 0.234 106 P C 1.099 178.393 177.300 -0.009 0.000 1.175 106 P CA 0.832 63.908 63.100 -0.041 0.000 0.801 106 P CB 0.098 31.798 31.700 -0.000 0.000 0.891 107 E N 1.019 121.242 120.200 0.038 0.000 2.160 107 E HA -0.264 4.085 4.350 -0.003 0.000 0.195 107 E C 2.239 178.954 176.600 0.193 0.000 0.991 107 E CA 0.895 57.361 56.400 0.110 0.000 0.810 107 E CB -0.768 29.018 29.700 0.143 0.000 0.742 107 E HN 0.179 nan 8.360 nan 0.000 0.466 108 Q N 1.176 121.049 119.800 0.122 0.000 2.096 108 Q HA -0.233 4.106 4.340 -0.003 0.000 0.204 108 Q C 2.286 178.356 176.000 0.117 0.000 0.982 108 Q CA 1.668 57.555 55.803 0.141 0.000 0.850 108 Q CB -0.066 28.659 28.738 -0.022 0.000 0.901 108 Q HN 0.368 nan 8.270 nan 0.000 0.422 109 R N 0.471 120.968 120.500 -0.005 0.000 2.113 109 R HA -0.239 4.099 4.340 -0.003 0.000 0.244 109 R C 2.540 178.821 176.300 -0.032 0.000 1.142 109 R CA 2.156 58.232 56.100 -0.040 0.000 0.953 109 R CB -0.722 29.535 30.300 -0.070 0.000 0.860 109 R HN 0.613 nan 8.270 nan 0.000 0.438 110 Q N 0.102 119.855 119.800 -0.078 0.000 2.096 110 Q HA -0.176 4.162 4.340 -0.003 0.000 0.204 110 Q C 1.883 177.751 176.000 -0.219 0.000 0.982 110 Q CA 1.745 57.426 55.803 -0.203 0.000 0.850 110 Q CB -0.522 28.002 28.738 -0.357 0.000 0.901 110 Q HN 0.341 nan 8.270 nan 0.000 0.422 111 F N 1.070 121.014 119.950 -0.010 0.000 2.259 111 F HA 0.052 4.578 4.527 -0.003 0.000 0.298 111 F C 2.764 178.565 175.800 0.002 0.000 1.088 111 F CA 1.008 59.011 58.000 0.005 0.000 1.358 111 F CB -0.163 38.851 39.000 0.024 0.000 1.040 111 F HN 0.010 nan 8.300 nan 0.000 0.505 112 R N 0.853 121.450 120.500 0.162 0.000 2.096 112 R HA -0.141 4.197 4.340 -0.003 0.000 0.235 112 R C 2.320 178.643 176.300 0.039 0.000 1.127 112 R CA 1.202 57.348 56.100 0.077 0.000 0.968 112 R CB -0.423 29.883 30.300 0.010 0.000 0.861 112 R HN 0.255 nan 8.270 nan 0.000 0.440 113 A N 1.190 124.017 122.820 0.011 0.000 1.883 113 A HA -0.187 4.131 4.320 -0.003 0.000 0.217 113 A C 2.028 179.616 177.584 0.006 0.000 1.186 113 A CA 1.371 53.404 52.037 -0.007 0.000 0.624 113 A CB -0.636 18.343 19.000 -0.034 0.000 0.822 113 A HN 0.393 nan 8.150 nan 0.000 0.444 114 L N -0.332 120.900 121.223 0.015 0.000 2.056 114 L HA -0.016 4.322 4.340 -0.003 0.000 0.207 114 L C 2.648 179.547 176.870 0.048 0.000 1.078 114 L CA 2.129 56.986 54.840 0.027 0.000 0.749 114 L CB -0.810 41.272 42.059 0.039 0.000 0.901 114 L HN 0.343 nan 8.230 nan 0.000 0.433 115 A N -0.358 122.504 122.820 0.070 0.000 1.902 115 A HA -0.281 4.037 4.320 -0.003 0.000 0.217 115 A C 2.187 179.799 177.584 0.045 0.000 1.181 115 A CA 1.838 53.915 52.037 0.068 0.000 0.623 115 A CB -1.051 17.997 19.000 0.080 0.000 0.818 115 A HN 0.603 nan 8.150 nan 0.000 0.443 116 N N -0.292 118.429 118.700 0.034 0.000 2.348 116 N HA -0.209 4.530 4.740 -0.003 0.000 0.185 116 N C 1.779 177.304 175.510 0.025 0.000 1.019 116 N CA 1.586 54.652 53.050 0.026 0.000 0.880 116 N CB -0.322 38.177 38.487 0.019 0.000 0.965 116 N HN 0.692 nan 8.380 nan 0.000 0.437 117 Q N -0.343 119.470 119.800 0.021 0.000 2.297 117 Q HA -0.050 4.288 4.340 -0.003 0.000 0.204 117 Q C 1.232 177.242 176.000 0.017 0.000 0.962 117 Q CA 1.243 57.054 55.803 0.015 0.000 0.879 117 Q CB 0.259 29.003 28.738 0.010 0.000 0.947 117 Q HN 0.412 nan 8.270 nan 0.000 0.462 118 V N -2.674 117.255 119.914 0.026 0.000 3.661 118 V HA 0.123 4.242 4.120 -0.003 0.000 0.271 118 V C 1.355 177.470 176.094 0.034 0.000 1.315 118 V CA 0.486 62.801 62.300 0.025 0.000 1.072 118 V CB 0.744 32.586 31.823 0.032 0.000 0.830 118 V HN 0.288 nan 8.190 nan 0.000 0.443 119 V N -2.871 117.066 119.914 0.038 0.000 3.382 119 V HA 0.671 4.789 4.120 -0.003 0.000 0.296 119 V C 1.119 177.236 176.094 0.039 0.000 1.529 119 V CA 0.307 62.631 62.300 0.041 0.000 1.048 119 V CB -0.515 31.334 31.823 0.043 0.000 0.878 119 V HN 0.399 nan 8.190 nan 0.000 0.442 120 G N 0.104 108.930 108.800 0.044 0.000 2.712 120 G HA2 0.253 4.212 3.960 -0.003 0.000 0.258 120 G HA3 0.253 4.212 3.960 -0.003 0.000 0.258 120 G C 0.565 175.511 174.900 0.077 0.000 1.241 120 G CA 0.349 45.493 45.100 0.073 0.000 0.923 120 G HN 0.202 nan 8.290 nan 0.000 0.548 121 M N 0.705 120.358 119.600 0.088 0.000 2.144 121 M HA -0.028 4.451 4.480 -0.003 0.000 0.260 121 M C -0.224 176.071 176.300 -0.009 0.000 1.067 121 M CA 1.697 56.999 55.300 0.003 0.000 1.095 121 M CB -1.018 31.491 32.600 -0.153 0.000 1.365 121 M HN 0.323 nan 8.290 nan 0.000 0.406 122 P HA -0.123 nan 4.420 nan 0.000 0.218 122 P C 1.551 178.850 177.300 -0.001 0.000 1.148 122 P CA 1.230 64.325 63.100 -0.010 0.000 0.822 122 P CB -0.126 31.569 31.700 -0.009 0.000 0.784 123 V N -1.153 118.766 119.914 0.007 0.000 2.591 123 V HA -0.130 3.988 4.120 -0.003 0.000 0.249 123 V C 2.355 178.455 176.094 0.009 0.000 1.053 123 V CA 1.323 63.627 62.300 0.007 0.000 1.068 123 V CB -0.975 30.855 31.823 0.012 0.000 0.689 123 V HN -0.022 nan 8.190 nan 0.000 0.462 124 V N 0.187 120.111 119.914 0.017 0.000 2.358 124 V HA -0.213 3.906 4.120 -0.003 0.000 0.246 124 V C 2.300 178.403 176.094 0.016 0.000 1.047 124 V CA 2.017 64.330 62.300 0.022 0.000 1.035 124 V CB -0.674 31.171 31.823 0.037 0.000 0.658 124 V HN 0.501 nan 8.190 nan 0.000 0.452 125 D N 0.125 120.529 120.400 0.007 0.000 2.149 125 D HA -0.199 4.439 4.640 -0.003 0.000 0.198 125 D C 2.150 178.454 176.300 0.007 0.000 0.990 125 D CA 1.415 55.418 54.000 0.005 0.000 0.839 125 D CB -0.212 40.585 40.800 -0.005 0.000 0.948 125 D HN 0.439 nan 8.370 nan 0.000 0.460 126 K N 0.314 120.716 120.400 0.003 0.000 2.211 126 K HA -0.038 4.280 4.320 -0.003 0.000 0.203 126 K C 1.860 178.462 176.600 0.003 0.000 1.050 126 K CA 0.571 56.859 56.287 0.001 0.000 0.945 126 K CB 0.053 32.551 32.500 -0.004 0.000 0.732 126 K HN 0.138 nan 8.250 nan 0.000 0.451 127 L N 0.479 121.706 121.223 0.006 0.000 2.529 127 L HA 0.043 4.381 4.340 -0.003 0.000 0.223 127 L C 2.113 178.997 176.870 0.023 0.000 1.113 127 L CA 0.136 54.980 54.840 0.007 0.000 0.861 127 L CB -0.156 41.902 42.059 -0.003 0.000 1.012 127 L HN 0.304 nan 8.230 nan 0.000 0.461 128 E N 1.512 121.729 120.200 0.029 0.000 2.149 128 E HA -0.356 3.992 4.350 -0.003 0.000 0.215 128 E C 1.580 178.212 176.600 0.053 0.000 1.055 128 E CA 2.581 59.006 56.400 0.043 0.000 0.870 128 E CB -0.146 29.574 29.700 0.034 0.000 0.764 128 E HN 0.602 nan 8.360 nan 0.000 0.463 129 N N -0.650 118.074 118.700 0.040 0.000 2.084 129 N HA -0.140 4.598 4.740 -0.003 0.000 0.190 129 N C 1.986 177.528 175.510 0.054 0.000 1.030 129 N CA 1.043 54.119 53.050 0.043 0.000 0.849 129 N CB -0.056 38.449 38.487 0.029 0.000 1.012 129 N HN 0.100 nan 8.380 nan 0.000 0.423 130 R N 1.031 121.558 120.500 0.045 0.000 2.096 130 R HA -0.026 4.313 4.340 -0.003 0.000 0.235 130 R C 2.134 178.486 176.300 0.087 0.000 1.127 130 R CA 0.767 56.897 56.100 0.049 0.000 0.968 130 R CB -0.920 29.393 30.300 0.022 0.000 0.861 130 R HN 0.402 nan 8.270 nan 0.000 0.440 131 I N 0.821 121.448 120.570 0.095 0.000 2.142 131 I HA -0.301 3.868 4.170 -0.003 0.000 0.240 131 I C 2.662 178.953 176.117 0.289 0.000 1.078 131 I CA 1.312 62.717 61.300 0.175 0.000 1.343 131 I CB -0.314 37.767 38.000 0.135 0.000 1.046 131 I HN 0.091 nan 8.210 nan 0.000 0.405 132 Q N 1.428 121.340 119.800 0.186 0.000 2.061 132 Q HA -0.255 4.083 4.340 -0.003 0.000 0.204 132 Q C 1.926 178.005 176.000 0.132 0.000 0.984 132 Q CA 1.961 57.855 55.803 0.152 0.000 0.846 132 Q CB -0.176 28.621 28.738 0.099 0.000 0.902 132 Q HN 0.465 nan 8.270 nan 0.000 0.421 133 E N -0.534 119.734 120.200 0.112 0.000 2.051 133 E HA -0.188 4.161 4.350 -0.003 0.000 0.192 133 E C 1.894 178.560 176.600 0.111 0.000 0.991 133 E CA 1.176 57.630 56.400 0.089 0.000 0.799 133 E CB -0.250 29.490 29.700 0.068 0.000 0.748 133 E HN 0.291 nan 8.360 nan 0.000 0.449 134 L N 0.909 122.231 121.223 0.164 0.000 2.056 134 L HA -0.103 4.236 4.340 -0.003 0.000 0.207 134 L C 2.167 179.154 176.870 0.196 0.000 1.078 134 L CA 1.922 56.880 54.840 0.196 0.000 0.749 134 L CB -0.666 41.546 42.059 0.256 0.000 0.901 134 L HN 0.052 nan 8.230 nan 0.000 0.433 135 A N -1.144 121.791 122.820 0.191 0.000 1.865 135 A HA -0.263 4.055 4.320 -0.003 0.000 0.217 135 A C 2.401 180.016 177.584 0.052 0.000 1.191 135 A CA 2.002 54.010 52.037 -0.050 0.000 0.623 135 A CB -1.525 17.365 19.000 -0.182 0.000 0.826 135 A HN 0.621 nan 8.150 nan 0.000 0.444 136 C N -1.140 118.186 119.300 0.044 0.000 2.413 136 C HA -0.060 4.398 4.460 -0.003 0.000 0.277 136 C C 3.309 178.308 174.990 0.015 0.000 1.265 136 C CA 1.365 60.390 59.018 0.012 0.000 1.752 136 C CB -1.239 26.510 27.740 0.015 0.000 1.998 136 C HN 0.694 nan 8.230 nan 0.000 0.489 137 S N 0.228 115.955 115.700 0.046 0.000 2.355 137 S HA -0.054 4.414 4.470 -0.003 0.000 0.222 137 S C 1.772 176.407 174.600 0.057 0.000 1.031 137 S CA 1.249 59.476 58.200 0.045 0.000 0.993 137 S CB -0.257 62.977 63.200 0.056 0.000 0.859 137 S HN 0.605 nan 8.310 nan 0.000 0.453 138 L N 0.836 122.118 121.223 0.099 0.000 2.056 138 L HA -0.054 4.284 4.340 -0.003 0.000 0.207 138 L C 2.362 179.313 176.870 0.135 0.000 1.078 138 L CA 1.239 56.166 54.840 0.146 0.000 0.749 138 L CB -0.491 41.697 42.059 0.215 0.000 0.901 138 L HN 0.373 nan 8.230 nan 0.000 0.433 139 I N -0.399 120.216 120.570 0.075 0.000 2.202 139 I HA -0.246 3.922 4.170 -0.003 0.000 0.242 139 I C 2.587 178.599 176.117 -0.176 0.000 1.091 139 I CA 1.017 62.232 61.300 -0.141 0.000 1.368 139 I CB -0.267 37.562 38.000 -0.284 0.000 1.058 139 I HN 0.240 nan 8.210 nan 0.000 0.410 140 E N 1.001 121.139 120.200 -0.103 0.000 2.118 140 E HA -0.249 4.100 4.350 -0.003 0.000 0.195 140 E C 2.178 178.757 176.600 -0.035 0.000 0.992 140 E CA 1.829 58.179 56.400 -0.083 0.000 0.804 140 E CB -0.248 29.424 29.700 -0.047 0.000 0.741 140 E HN 0.270 nan 8.360 nan 0.000 0.458 141 S N -1.137 114.564 115.700 0.001 0.000 2.406 141 S HA 0.003 4.471 4.470 -0.003 0.000 0.228 141 S C 1.742 176.376 174.600 0.058 0.000 1.020 141 S CA 0.897 59.116 58.200 0.032 0.000 0.965 141 S CB -0.158 63.071 63.200 0.047 0.000 0.798 141 S HN 0.380 nan 8.310 nan 0.000 0.488 142 L N 0.638 121.901 121.223 0.067 0.000 2.307 142 L HA 0.191 4.529 4.340 -0.003 0.000 0.211 142 L C 2.678 179.705 176.870 0.261 0.000 1.099 142 L CA 0.498 55.439 54.840 0.167 0.000 0.816 142 L CB -0.482 41.710 42.059 0.222 0.000 0.952 142 L HN 0.260 nan 8.230 nan 0.000 0.455 143 R N 1.235 121.775 120.500 0.066 0.000 2.112 143 R HA -0.190 4.149 4.340 -0.003 0.000 0.242 143 R C -0.485 175.983 176.300 0.281 0.000 1.137 143 R CA 2.280 58.426 56.100 0.077 0.000 0.944 143 R CB -1.234 28.989 30.300 -0.128 0.000 0.857 143 R HN 0.240 nan 8.270 nan 0.000 0.435 144 P HA -0.119 nan 4.420 nan 0.000 0.226 144 P C 0.404 177.751 177.300 0.078 0.000 1.153 144 P CA 1.305 64.469 63.100 0.106 0.000 0.777 144 P CB -0.040 31.691 31.700 0.051 0.000 0.794 145 Q N -0.587 119.261 119.800 0.081 0.000 2.230 145 Q HA 0.070 4.408 4.340 -0.003 0.000 0.202 145 Q C 1.673 177.525 176.000 -0.247 0.000 0.963 145 Q CA 0.925 56.703 55.803 -0.041 0.000 0.866 145 Q CB -0.555 28.173 28.738 -0.016 0.000 0.931 145 Q HN 0.273 nan 8.270 nan 0.000 0.452 146 G N 1.553 110.094 108.800 -0.432 0.000 2.155 146 G HA2 -0.321 3.637 3.960 -0.003 0.000 0.257 146 G HA3 -0.321 3.637 3.960 -0.003 0.000 0.257 146 G C -0.035 173.847 174.900 -1.697 0.000 0.983 146 G CA 0.853 45.222 45.100 -1.219 0.000 0.676 146 G HN 0.483 nan 8.290 nan 0.000 0.528 147 Q N -1.887 117.037 119.800 -1.461 0.000 2.702 147 Q HA 0.614 4.953 4.340 -0.003 0.000 0.289 147 Q C -0.420 175.385 176.000 -0.326 0.000 0.923 147 Q CA -0.721 54.542 55.803 -0.901 0.000 0.787 147 Q CB 1.580 30.069 28.738 -0.415 0.000 1.476 147 Q HN 1.578 nan 8.270 nan 0.000 0.402 148 C N -0.970 118.330 119.300 -0.001 0.000 3.253 148 C HA 0.597 5.055 4.460 -0.003 0.000 0.342 148 C C -1.808 173.301 174.990 0.199 0.000 1.306 148 C CA -0.831 58.303 59.018 0.194 0.000 1.207 148 C CB 0.695 28.703 27.740 0.447 0.000 1.479 148 C HN 1.028 nan 8.230 nan 0.000 0.469 149 N N 0.920 119.721 118.700 0.169 0.000 2.699 149 N HA 0.403 5.141 4.740 -0.003 0.000 0.232 149 N C 0.251 175.868 175.510 0.179 0.000 1.027 149 N CA -0.560 52.577 53.050 0.145 0.000 0.920 149 N CB 0.622 39.160 38.487 0.085 0.000 1.148 149 N HN 0.612 nan 8.380 nan 0.000 0.509 150 F N 2.107 122.101 119.950 0.074 0.000 2.115 150 F HA -0.329 4.196 4.527 -0.003 0.000 0.300 150 F C 2.605 178.432 175.800 0.045 0.000 1.092 150 F CA 2.053 60.079 58.000 0.043 0.000 1.245 150 F CB -0.365 38.583 39.000 -0.088 0.000 0.995 150 F HN 0.450 nan 8.300 nan 0.000 0.481 151 T N -1.412 113.172 114.554 0.052 0.000 2.684 151 T HA -0.288 4.060 4.350 -0.003 0.000 0.267 151 T C 1.632 176.277 174.700 -0.090 0.000 1.036 151 T CA 1.660 63.734 62.100 -0.044 0.000 1.148 151 T CB -0.824 68.045 68.868 0.002 0.000 0.863 151 T HN 0.685 nan 8.240 nan 0.000 0.436 152 E N 0.330 120.507 120.200 -0.038 0.000 2.452 152 E HA 0.050 4.398 4.350 -0.003 0.000 0.197 152 E C 0.978 177.562 176.600 -0.027 0.000 1.022 152 E CA 0.332 56.714 56.400 -0.031 0.000 0.890 152 E CB 0.085 29.785 29.700 0.000 0.000 0.918 152 E HN 0.380 nan 8.360 nan 0.000 0.496 153 D N -0.543 119.845 120.400 -0.019 0.000 2.327 153 D HA 0.032 4.670 4.640 -0.003 0.000 0.205 153 D C 0.534 176.859 176.300 0.041 0.000 0.989 153 D CA 0.655 54.678 54.000 0.039 0.000 0.873 153 D CB 0.321 41.197 40.800 0.126 0.000 0.955 153 D HN 0.285 nan 8.370 nan 0.000 0.515 154 Y N -0.148 119.968 120.300 -0.307 0.000 3.147 154 Y HA 0.317 4.865 4.550 -0.003 0.000 0.219 154 Y C 1.962 177.612 175.900 -0.416 0.000 1.021 154 Y CA 0.655 58.535 58.100 -0.367 0.000 1.440 154 Y CB -0.245 37.908 38.460 -0.512 0.000 1.472 154 Y HN -0.156 nan 8.280 nan 0.000 0.408 155 A N 1.062 123.495 122.820 -0.644 0.000 1.940 155 A HA -0.270 4.049 4.320 -0.003 0.000 0.221 155 A C 1.792 179.271 177.584 -0.174 0.000 1.190 155 A CA 2.626 54.456 52.037 -0.345 0.000 0.647 155 A CB -0.672 18.157 19.000 -0.286 0.000 0.821 155 A HN 0.719 nan 8.150 nan 0.000 0.457 156 E N -1.024 119.074 120.200 -0.170 0.000 2.024 156 E HA -0.067 4.281 4.350 -0.003 0.000 0.190 156 E C -0.520 176.019 176.600 -0.101 0.000 0.974 156 E CA 0.614 56.951 56.400 -0.104 0.000 0.810 156 E CB -0.611 29.044 29.700 -0.074 0.000 0.775 156 E HN 0.507 nan 8.360 nan 0.000 0.453 157 P HA -0.206 nan 4.420 nan 0.000 0.218 157 P C 1.358 178.610 177.300 -0.080 0.000 1.148 157 P CA 1.174 64.229 63.100 -0.074 0.000 0.822 157 P CB -0.041 31.628 31.700 -0.052 0.000 0.784 158 F N 2.585 122.308 119.950 -0.379 0.000 2.031 158 F HA -0.036 4.489 4.527 -0.003 0.000 0.295 158 F C -0.833 174.854 175.800 -0.190 0.000 1.133 158 F CA 1.462 59.219 58.000 -0.404 0.000 1.188 158 F CB -1.990 36.484 39.000 -0.875 0.000 0.974 158 F HN -0.027 nan 8.300 nan 0.000 0.473 159 P HA -0.110 nan 4.420 nan 0.000 0.216 159 P C 2.140 179.342 177.300 -0.163 0.000 1.153 159 P CA 1.957 64.845 63.100 -0.354 0.000 0.844 159 P CB -0.086 31.519 31.700 -0.159 0.000 0.787 160 I N -0.824 119.692 120.570 -0.091 0.000 2.252 160 I HA -0.215 3.953 4.170 -0.003 0.000 0.245 160 I C 2.474 178.613 176.117 0.036 0.000 1.102 160 I CA 1.431 62.736 61.300 0.009 0.000 1.385 160 I CB -0.442 37.555 38.000 -0.004 0.000 1.064 160 I HN -0.132 nan 8.210 nan 0.000 0.414 161 R N 0.385 120.868 120.500 -0.030 0.000 2.115 161 R HA -0.095 4.244 4.340 -0.003 0.000 0.230 161 R C 2.256 178.527 176.300 -0.048 0.000 1.111 161 R CA 1.042 57.127 56.100 -0.024 0.000 0.976 161 R CB -0.134 30.154 30.300 -0.021 0.000 0.870 161 R HN 0.268 nan 8.270 nan 0.000 0.445 162 I N 0.209 120.720 120.570 -0.098 0.000 2.226 162 I HA -0.257 3.911 4.170 -0.003 0.000 0.245 162 I C 2.174 178.260 176.117 -0.051 0.000 1.100 162 I CA 1.285 62.520 61.300 -0.108 0.000 1.374 162 I CB -0.897 36.974 38.000 -0.216 0.000 1.057 162 I HN 0.073 nan 8.210 nan 0.000 0.413 163 F N 1.584 121.464 119.950 -0.117 0.000 2.146 163 F HA -0.206 4.320 4.527 -0.002 0.000 0.298 163 F C 2.516 178.287 175.800 -0.049 0.000 1.096 163 F CA 1.523 59.476 58.000 -0.079 0.000 1.275 163 F CB -0.204 38.749 39.000 -0.078 0.000 1.008 163 F HN -0.101 nan 8.300 nan 0.000 0.480 164 M N -0.230 119.264 119.600 -0.176 0.000 2.213 164 M HA -0.142 4.336 4.480 -0.003 0.000 0.263 164 M C 2.219 178.381 176.300 -0.229 0.000 1.062 164 M CA 1.180 56.346 55.300 -0.223 0.000 1.105 164 M CB -1.462 31.124 32.600 -0.022 0.000 1.385 164 M HN 0.368 nan 8.290 nan 0.000 0.417 165 L N 0.335 121.456 121.223 -0.169 0.000 2.072 165 L HA -0.103 4.235 4.340 -0.003 0.000 0.205 165 L C 2.219 178.989 176.870 -0.167 0.000 1.079 165 L CA 1.301 56.064 54.840 -0.128 0.000 0.752 165 L CB -0.898 41.112 42.059 -0.081 0.000 0.906 165 L HN 0.220 nan 8.230 nan 0.000 0.436 166 L N -0.015 121.075 121.223 -0.221 0.000 2.083 166 L HA -0.047 4.291 4.340 -0.003 0.000 0.209 166 L C 2.191 178.897 176.870 -0.273 0.000 1.083 166 L CA 2.069 56.781 54.840 -0.213 0.000 0.752 166 L CB -0.845 41.099 42.059 -0.191 0.000 0.899 166 L HN 0.254 nan 8.230 nan 0.000 0.433 167 A N -1.046 121.495 122.820 -0.466 0.000 2.251 167 A HA 0.402 4.720 4.320 -0.003 0.000 0.209 167 A C 1.577 179.032 177.584 -0.215 0.000 1.187 167 A CA 0.458 52.255 52.037 -0.400 0.000 0.823 167 A CB -0.943 17.639 19.000 -0.697 0.000 0.846 167 A HN 0.822 nan 8.150 nan 0.000 0.486 168 G N -0.421 108.272 108.800 -0.179 0.000 2.295 168 G HA2 -0.215 3.743 3.960 -0.003 0.000 0.287 168 G HA3 -0.215 3.743 3.960 -0.003 0.000 0.287 168 G C -0.131 174.731 174.900 -0.064 0.000 1.055 168 G CA 0.633 45.673 45.100 -0.100 0.000 0.922 168 G HN 0.486 nan 8.290 nan 0.000 0.503 169 L N 0.480 121.665 121.223 -0.063 0.000 2.334 169 L HA 0.555 4.893 4.340 -0.003 0.000 0.273 169 L C -1.643 175.244 176.870 0.028 0.000 1.013 169 L CA -2.530 52.321 54.840 0.018 0.000 0.816 169 L CB 2.034 44.142 42.059 0.082 0.000 1.278 169 L HN -0.040 nan 8.230 nan 0.000 0.431 170 P HA 0.069 nan 4.420 nan 0.000 0.271 170 P C -0.108 177.223 177.300 0.053 0.000 1.220 170 P CA -0.100 63.029 63.100 0.048 0.000 0.768 170 P CB 0.945 32.679 31.700 0.056 0.000 0.848 171 E N 1.781 122.001 120.200 0.032 0.000 2.267 171 E HA -0.214 4.134 4.350 -0.003 0.000 0.197 171 E C 1.548 178.170 176.600 0.036 0.000 0.998 171 E CA 1.126 57.545 56.400 0.031 0.000 0.830 171 E CB 0.080 29.791 29.700 0.019 0.000 0.751 171 E HN 0.677 nan 8.360 nan 0.000 0.491 172 E N 0.648 120.871 120.200 0.039 0.000 2.478 172 E HA -0.163 4.185 4.350 -0.003 0.000 0.198 172 E C 0.628 177.259 176.600 0.052 0.000 1.046 172 E CA 0.802 57.226 56.400 0.039 0.000 0.870 172 E CB 0.135 29.856 29.700 0.034 0.000 0.818 172 E HN 0.103 nan 8.360 nan 0.000 0.527 173 D N 0.665 121.106 120.400 0.069 0.000 2.339 173 D HA 0.129 4.768 4.640 -0.003 0.000 0.217 173 D C 1.690 178.011 176.300 0.035 0.000 1.050 173 D CA 0.046 54.092 54.000 0.076 0.000 0.856 173 D CB 0.106 40.988 40.800 0.136 0.000 0.922 173 D HN 0.290 nan 8.370 nan 0.000 0.518 174 I N 1.489 122.080 120.570 0.036 0.000 2.163 174 I HA -0.215 3.953 4.170 -0.003 0.000 0.243 174 I C -0.585 175.543 176.117 0.018 0.000 1.085 174 I CA 1.278 62.590 61.300 0.021 0.000 1.347 174 I CB -1.283 36.731 38.000 0.024 0.000 1.044 174 I HN 0.004 nan 8.210 nan 0.000 0.408 175 P HA -0.230 nan 4.420 nan 0.000 0.214 175 P C 1.531 178.881 177.300 0.084 0.000 1.163 175 P CA 1.735 64.867 63.100 0.052 0.000 0.889 175 P CB -0.073 31.655 31.700 0.047 0.000 0.790 176 H N -0.607 118.454 119.070 -0.014 0.000 2.321 176 H HA -0.045 4.509 4.556 -0.003 0.000 0.300 176 H C 1.832 177.147 175.328 -0.022 0.000 1.087 176 H CA 1.508 57.550 56.048 -0.010 0.000 1.319 176 H CB -1.032 28.700 29.762 -0.051 0.000 1.379 176 H HN -0.058 nan 8.280 nan 0.000 0.501 177 L N -0.082 121.030 121.223 -0.185 0.000 2.046 177 L HA -0.151 4.187 4.340 -0.003 0.000 0.208 177 L C 2.532 179.287 176.870 -0.192 0.000 1.077 177 L CA 1.631 56.300 54.840 -0.285 0.000 0.747 177 L CB -0.424 41.486 42.059 -0.248 0.000 0.896 177 L HN 0.223 nan 8.230 nan 0.000 0.432 178 K N 0.042 120.383 120.400 -0.099 0.000 2.057 178 K HA -0.257 4.061 4.320 -0.003 0.000 0.207 178 K C 2.135 178.695 176.600 -0.067 0.000 1.049 178 K CA 1.581 57.825 56.287 -0.071 0.000 0.931 178 K CB -0.611 31.874 32.500 -0.025 0.000 0.714 178 K HN 0.245 nan 8.250 nan 0.000 0.440 179 Y N 0.792 121.012 120.300 -0.134 0.000 2.145 179 Y HA -0.148 4.401 4.550 -0.003 0.000 0.286 179 Y C 1.581 177.392 175.900 -0.147 0.000 1.145 179 Y CA 1.870 59.899 58.100 -0.117 0.000 1.148 179 Y CB -0.245 38.153 38.460 -0.102 0.000 0.981 179 Y HN 0.027 nan 8.280 nan 0.000 0.507 180 L N -0.222 120.789 121.223 -0.353 0.000 2.017 180 L HA -0.242 4.096 4.340 -0.003 0.000 0.208 180 L C 2.659 179.328 176.870 -0.335 0.000 1.073 180 L CA 2.132 56.729 54.840 -0.406 0.000 0.745 180 L CB -1.304 40.551 42.059 -0.340 0.000 0.894 180 L HN 0.405 nan 8.230 nan 0.000 0.432 181 T N -3.882 110.525 114.554 -0.245 0.000 2.788 181 T HA -0.186 4.162 4.350 -0.003 0.000 0.268 181 T C 1.470 176.100 174.700 -0.118 0.000 1.044 181 T CA 1.388 63.393 62.100 -0.159 0.000 1.139 181 T CB -0.425 68.356 68.868 -0.145 0.000 0.867 181 T HN 0.189 nan 8.240 nan 0.000 0.454 182 D N 1.189 121.488 120.400 -0.168 0.000 2.218 182 D HA -0.057 4.581 4.640 -0.003 0.000 0.204 182 D C 2.352 178.568 176.300 -0.140 0.000 0.976 182 D CA 0.743 54.668 54.000 -0.125 0.000 0.853 182 D CB -0.232 40.489 40.800 -0.131 0.000 0.939 182 D HN 0.381 nan 8.370 nan 0.000 0.481 183 Q N -0.575 119.062 119.800 -0.273 0.000 2.297 183 Q HA 0.086 4.424 4.340 -0.003 0.000 0.204 183 Q C 2.001 177.979 176.000 -0.036 0.000 0.962 183 Q CA 0.442 56.110 55.803 -0.225 0.000 0.879 183 Q CB -0.119 28.391 28.738 -0.381 0.000 0.947 183 Q HN 0.440 nan 8.270 nan 0.000 0.462 184 M N -0.308 119.314 119.600 0.036 0.000 2.476 184 M HA -0.036 4.442 4.480 -0.003 0.000 0.262 184 M C 1.631 178.213 176.300 0.470 0.000 1.111 184 M CA 1.458 56.963 55.300 0.340 0.000 1.127 184 M CB 0.169 32.959 32.600 0.316 0.000 1.376 184 M HN 0.211 nan 8.290 nan 0.000 0.465 185 T N -2.640 112.066 114.554 0.253 0.000 2.999 185 T HA 0.219 4.567 4.350 -0.003 0.000 0.247 185 T C 1.024 175.857 174.700 0.222 0.000 1.012 185 T CA -0.219 62.002 62.100 0.203 0.000 1.048 185 T CB 0.250 69.197 68.868 0.132 0.000 1.020 185 T HN 0.241 nan 8.240 nan 0.000 0.478 186 R N 2.256 122.850 120.500 0.157 0.000 2.638 186 R HA 0.310 4.648 4.340 -0.003 0.000 0.261 186 R C -2.985 173.347 176.300 0.053 0.000 1.515 186 R CA -1.515 54.683 56.100 0.163 0.000 1.623 186 R CB 1.215 31.590 30.300 0.125 0.000 1.347 186 R HN 0.354 nan 8.270 nan 0.000 0.705 187 P HA -0.052 nan 4.420 nan 0.000 0.264 187 P C -0.309 176.959 177.300 -0.055 0.000 1.193 187 P CA 0.320 63.377 63.100 -0.071 0.000 0.763 187 P CB 0.886 32.519 31.700 -0.113 0.000 0.810 188 D N 1.667 122.049 120.400 -0.030 0.000 2.348 188 D HA 0.084 4.723 4.640 -0.003 0.000 0.211 188 D C 1.440 177.740 176.300 0.001 0.000 0.998 188 D CA 0.692 54.695 54.000 0.006 0.000 0.873 188 D CB -0.353 40.477 40.800 0.050 0.000 0.925 188 D HN 0.613 nan 8.370 nan 0.000 0.524 189 G N -0.145 108.646 108.800 -0.015 0.000 2.218 189 G HA2 -0.320 3.638 3.960 -0.003 0.000 0.216 189 G HA3 -0.320 3.638 3.960 -0.003 0.000 0.216 189 G C 1.222 176.130 174.900 0.015 0.000 0.994 189 G CA 0.546 45.639 45.100 -0.012 0.000 0.637 189 G HN 0.613 nan 8.290 nan 0.000 0.505 190 S N -0.672 115.055 115.700 0.046 0.000 2.489 190 S HA 0.542 5.011 4.470 -0.003 0.000 0.228 190 S C 0.886 175.529 174.600 0.072 0.000 0.995 190 S CA 0.950 59.194 58.200 0.073 0.000 0.934 190 S CB 0.157 63.435 63.200 0.130 0.000 0.771 190 S HN 0.514 nan 8.310 nan 0.000 0.522 191 M N 2.056 121.682 119.600 0.044 0.000 2.378 191 M HA 0.313 4.792 4.480 -0.003 0.000 0.289 191 M C -0.720 175.576 176.300 -0.007 0.000 1.136 191 M CA -0.508 54.804 55.300 0.021 0.000 0.917 191 M CB 2.669 35.276 32.600 0.011 0.000 1.669 191 M HN 0.234 nan 8.290 nan 0.000 0.461 192 T N -1.215 113.342 114.554 0.005 0.000 2.882 192 T HA 0.279 4.628 4.350 -0.003 0.000 0.287 192 T C 0.800 175.524 174.700 0.041 0.000 1.014 192 T CA -0.508 61.612 62.100 0.034 0.000 1.049 192 T CB 0.878 69.775 68.868 0.048 0.000 1.001 192 T HN 0.580 nan 8.240 nan 0.000 0.525 193 F N 1.820 121.762 119.950 -0.013 0.000 2.091 193 F HA -0.080 4.445 4.527 -0.003 0.000 0.299 193 F C 2.551 178.322 175.800 -0.049 0.000 1.103 193 F CA 2.100 60.099 58.000 -0.001 0.000 1.228 193 F CB -0.939 38.100 39.000 0.065 0.000 0.984 193 F HN 0.755 nan 8.300 nan 0.000 0.477 194 A N -0.044 122.840 122.820 0.106 0.000 1.940 194 A HA -0.229 4.090 4.320 -0.003 0.000 0.219 194 A C 2.093 179.609 177.584 -0.113 0.000 1.176 194 A CA 1.988 54.024 52.037 -0.001 0.000 0.631 194 A CB -0.864 18.180 19.000 0.074 0.000 0.814 194 A HN 0.616 nan 8.150 nan 0.000 0.446 195 E N -0.366 119.786 120.200 -0.081 0.000 2.107 195 E HA -0.035 4.314 4.350 -0.003 0.000 0.191 195 E C 2.304 178.827 176.600 -0.128 0.000 0.982 195 E CA 0.805 57.164 56.400 -0.069 0.000 0.809 195 E CB -0.264 29.424 29.700 -0.020 0.000 0.756 195 E HN 0.624 nan 8.360 nan 0.000 0.459 196 A N 1.836 124.525 122.820 -0.219 0.000 1.930 196 A HA -0.204 4.114 4.320 -0.003 0.000 0.217 196 A C 2.075 179.438 177.584 -0.369 0.000 1.175 196 A CA 1.429 53.299 52.037 -0.280 0.000 0.627 196 A CB -0.321 18.471 19.000 -0.347 0.000 0.815 196 A HN 0.046 nan 8.150 nan 0.000 0.443 197 K N -0.537 119.530 120.400 -0.554 0.000 2.026 197 K HA -0.175 4.143 4.320 -0.003 0.000 0.208 197 K C 1.869 178.164 176.600 -0.509 0.000 1.048 197 K CA 1.474 57.355 56.287 -0.677 0.000 0.929 197 K CB -0.121 31.887 32.500 -0.819 0.000 0.713 197 K HN 0.339 nan 8.250 nan 0.000 0.439 198 E N 0.327 120.376 120.200 -0.252 0.000 2.077 198 E HA -0.166 4.182 4.350 -0.003 0.000 0.193 198 E C 1.890 178.494 176.600 0.008 0.000 0.989 198 E CA 1.197 57.566 56.400 -0.052 0.000 0.800 198 E CB -0.208 29.490 29.700 -0.003 0.000 0.746 198 E HN 0.428 nan 8.360 nan 0.000 0.452 199 A N 0.935 123.740 122.820 -0.025 0.000 1.902 199 A HA -0.150 4.168 4.320 -0.003 0.000 0.217 199 A C 2.268 179.907 177.584 0.091 0.000 1.181 199 A CA 1.129 53.203 52.037 0.062 0.000 0.623 199 A CB -0.583 18.448 19.000 0.053 0.000 0.818 199 A HN 0.233 nan 8.150 nan 0.000 0.443 200 L N -1.574 119.627 121.223 -0.037 0.000 2.017 200 L HA -0.145 4.193 4.340 -0.003 0.000 0.208 200 L C 2.333 179.327 176.870 0.207 0.000 1.073 200 L CA 1.836 56.678 54.840 0.003 0.000 0.745 200 L CB -0.650 41.317 42.059 -0.154 0.000 0.894 200 L HN 0.469 nan 8.230 nan 0.000 0.432 201 Y N -0.533 119.829 120.300 0.103 0.000 2.242 201 Y HA -0.207 4.341 4.550 -0.003 0.000 0.291 201 Y C 2.495 178.454 175.900 0.100 0.000 1.137 201 Y CA 1.140 59.298 58.100 0.097 0.000 1.181 201 Y CB -1.034 37.456 38.460 0.050 0.000 0.989 201 Y HN 0.395 nan 8.280 nan 0.000 0.527 202 D N -1.102 119.458 120.400 0.266 0.000 2.144 202 D HA -0.261 4.377 4.640 -0.003 0.000 0.199 202 D C 2.112 178.528 176.300 0.193 0.000 0.984 202 D CA 1.120 55.232 54.000 0.186 0.000 0.834 202 D CB -0.345 40.550 40.800 0.158 0.000 0.955 202 D HN 0.356 nan 8.370 nan 0.000 0.465 203 Y N 0.275 120.652 120.300 0.128 0.000 2.220 203 Y HA 0.019 4.567 4.550 -0.003 0.000 0.291 203 Y C 1.817 177.778 175.900 0.101 0.000 1.129 203 Y CA 1.300 59.470 58.100 0.117 0.000 1.161 203 Y CB -0.111 38.440 38.460 0.152 0.000 0.997 203 Y HN 0.009 nan 8.280 nan 0.000 0.522 204 L N -0.617 120.716 121.223 0.183 0.000 2.131 204 L HA -0.119 4.219 4.340 -0.003 0.000 0.206 204 L C 2.329 179.201 176.870 0.003 0.000 1.087 204 L CA 0.742 55.627 54.840 0.076 0.000 0.767 204 L CB -0.447 41.751 42.059 0.231 0.000 0.917 204 L HN 0.229 nan 8.230 nan 0.000 0.441 205 I N 0.690 121.280 120.570 0.034 0.000 2.087 205 I HA -0.277 3.892 4.170 -0.003 0.000 0.240 205 I C -0.203 175.893 176.117 -0.034 0.000 1.054 205 I CA 1.854 63.151 61.300 -0.006 0.000 1.311 205 I CB -1.620 36.384 38.000 0.008 0.000 1.024 205 I HN 0.256 nan 8.210 nan 0.000 0.402 206 P HA -0.147 nan 4.420 nan 0.000 0.218 206 P C 1.832 179.082 177.300 -0.084 0.000 1.149 206 P CA 1.732 64.794 63.100 -0.064 0.000 0.817 206 P CB -0.089 31.569 31.700 -0.070 0.000 0.785 207 I N -0.725 119.771 120.570 -0.123 0.000 2.286 207 I HA -0.166 4.002 4.170 -0.003 0.000 0.245 207 I C 2.635 178.712 176.117 -0.067 0.000 1.104 207 I CA 1.024 62.251 61.300 -0.122 0.000 1.397 207 I CB -0.481 37.406 38.000 -0.189 0.000 1.072 207 I HN -0.184 nan 8.210 nan 0.000 0.417 208 I N 0.722 121.263 120.570 -0.048 0.000 2.179 208 I HA -0.285 3.883 4.170 -0.003 0.000 0.242 208 I C 2.634 178.735 176.117 -0.027 0.000 1.088 208 I CA 1.407 62.692 61.300 -0.026 0.000 1.357 208 I CB -0.307 37.684 38.000 -0.017 0.000 1.051 208 I HN 0.213 nan 8.210 nan 0.000 0.409 209 E N 1.096 121.277 120.200 -0.031 0.000 2.077 209 E HA -0.291 4.057 4.350 -0.003 0.000 0.193 209 E C 2.135 178.719 176.600 -0.027 0.000 0.989 209 E CA 1.527 57.911 56.400 -0.026 0.000 0.800 209 E CB -0.233 29.451 29.700 -0.026 0.000 0.746 209 E HN 0.416 nan 8.360 nan 0.000 0.452 210 Q N -0.212 119.567 119.800 -0.034 0.000 2.124 210 Q HA -0.131 4.207 4.340 -0.003 0.000 0.202 210 Q C 1.878 177.860 176.000 -0.029 0.000 0.977 210 Q CA 1.397 57.180 55.803 -0.034 0.000 0.850 210 Q CB 0.039 28.751 28.738 -0.044 0.000 0.901 210 Q HN 0.220 nan 8.270 nan 0.000 0.429 211 R N -0.788 119.695 120.500 -0.029 0.000 2.276 211 R HA 0.078 4.416 4.340 -0.003 0.000 0.196 211 R C 1.873 178.162 176.300 -0.018 0.000 0.961 211 R CA 0.228 56.314 56.100 -0.024 0.000 1.024 211 R CB 0.188 30.473 30.300 -0.025 0.000 0.940 211 R HN 0.121 nan 8.270 nan 0.000 0.480 212 R N 0.056 120.546 120.500 -0.016 0.000 2.240 212 R HA 0.026 4.365 4.340 -0.003 0.000 0.203 212 R C 1.766 178.059 176.300 -0.013 0.000 1.011 212 R CA 0.596 56.688 56.100 -0.012 0.000 1.007 212 R CB 0.297 30.591 30.300 -0.011 0.000 0.911 212 R HN 0.131 nan 8.270 nan 0.000 0.468 213 Q N 0.440 120.231 119.800 -0.015 0.000 2.200 213 Q HA 0.057 4.396 4.340 -0.003 0.000 0.197 213 Q C 0.209 176.201 176.000 -0.014 0.000 0.953 213 Q CA 1.106 56.901 55.803 -0.014 0.000 0.851 213 Q CB 0.450 29.179 28.738 -0.015 0.000 0.938 213 Q HN 0.111 nan 8.270 nan 0.000 0.488 214 K N 1.549 121.939 120.400 -0.016 0.000 2.606 214 K HA 0.372 4.690 4.320 -0.003 0.000 0.196 214 K C -2.586 174.004 176.600 -0.017 0.000 1.048 214 K CA -1.581 54.697 56.287 -0.016 0.000 1.017 214 K CB 1.337 33.827 32.500 -0.017 0.000 1.413 214 K HN -0.060 nan 8.250 nan 0.000 0.568 215 P HA -0.086 nan 4.420 nan 0.000 0.262 215 P C 0.141 177.431 177.300 -0.016 0.000 1.182 215 P CA 0.307 63.398 63.100 -0.015 0.000 0.761 215 P CB 0.913 32.606 31.700 -0.012 0.000 0.795 216 G N 1.111 109.900 108.800 -0.019 0.000 2.971 216 G HA2 0.465 4.423 3.960 -0.003 0.000 0.235 216 G HA3 0.465 4.423 3.960 -0.003 0.000 0.235 216 G C 0.458 175.345 174.900 -0.021 0.000 1.351 216 G CA -0.166 44.922 45.100 -0.021 0.000 1.039 216 G HN 0.407 nan 8.290 nan 0.000 0.563 217 T N -1.847 112.693 114.554 -0.024 0.000 3.044 217 T HA 0.175 4.523 4.350 -0.003 0.000 0.260 217 T C 0.462 175.143 174.700 -0.032 0.000 1.019 217 T CA 0.392 62.477 62.100 -0.024 0.000 0.921 217 T CB -0.201 68.653 68.868 -0.022 0.000 1.053 217 T HN 0.578 nan 8.240 nan 0.000 0.533 218 D N 1.369 121.745 120.400 -0.040 0.000 2.361 218 D HA 0.283 4.922 4.640 -0.003 0.000 0.239 218 D C 1.497 177.766 176.300 -0.051 0.000 1.200 218 D CA 0.067 54.033 54.000 -0.057 0.000 0.915 218 D CB 1.372 42.132 40.800 -0.068 0.000 1.170 218 D HN 0.119 nan 8.370 nan 0.000 0.444 219 A N 1.737 124.515 122.820 -0.069 0.000 1.917 219 A HA -0.195 4.123 4.320 -0.003 0.000 0.219 219 A C 2.382 179.955 177.584 -0.018 0.000 1.182 219 A CA 1.327 53.339 52.037 -0.043 0.000 0.633 219 A CB -0.800 18.166 19.000 -0.058 0.000 0.819 219 A HN 0.695 nan 8.150 nan 0.000 0.448 220 I N -0.451 120.102 120.570 -0.028 0.000 2.226 220 I HA -0.231 3.938 4.170 -0.003 0.000 0.245 220 I C 2.688 178.803 176.117 -0.003 0.000 1.100 220 I CA 1.471 62.769 61.300 -0.003 0.000 1.374 220 I CB -0.334 37.662 38.000 -0.006 0.000 1.057 220 I HN 0.245 nan 8.210 nan 0.000 0.413 221 S N 0.891 116.582 115.700 -0.015 0.000 2.356 221 S HA -0.109 4.359 4.470 -0.003 0.000 0.223 221 S C 2.007 176.604 174.600 -0.005 0.000 1.032 221 S CA 1.249 59.442 58.200 -0.012 0.000 1.005 221 S CB -0.287 62.902 63.200 -0.019 0.000 0.867 221 S HN 0.327 nan 8.310 nan 0.000 0.449 222 I N 1.108 121.675 120.570 -0.005 0.000 2.208 222 I HA -0.156 4.012 4.170 -0.003 0.000 0.245 222 I C 2.134 178.258 176.117 0.012 0.000 1.097 222 I CA 0.920 62.220 61.300 0.001 0.000 1.363 222 I CB -0.478 37.521 38.000 -0.001 0.000 1.051 222 I HN 0.156 nan 8.210 nan 0.000 0.413 223 V N 0.965 120.891 119.914 0.021 0.000 2.323 223 V HA -0.230 3.888 4.120 -0.003 0.000 0.244 223 V C 2.730 178.845 176.094 0.035 0.000 1.041 223 V CA 1.883 64.206 62.300 0.038 0.000 1.025 223 V CB -0.981 30.873 31.823 0.051 0.000 0.656 223 V HN 0.481 nan 8.190 nan 0.000 0.451 224 A N 0.426 123.260 122.820 0.023 0.000 1.978 224 A HA -0.222 4.096 4.320 -0.003 0.000 0.220 224 A C 1.735 179.326 177.584 0.012 0.000 1.170 224 A CA 2.317 54.364 52.037 0.016 0.000 0.636 224 A CB -0.619 18.384 19.000 0.005 0.000 0.810 224 A HN 0.687 nan 8.150 nan 0.000 0.448 225 N N -0.897 117.808 118.700 0.008 0.000 2.204 225 N HA 0.319 5.058 4.740 -0.003 0.000 0.219 225 N C 0.652 176.164 175.510 0.003 0.000 1.151 225 N CA 0.405 53.457 53.050 0.003 0.000 0.867 225 N CB 0.713 39.199 38.487 -0.003 0.000 1.043 225 N HN 0.417 nan 8.380 nan 0.000 0.516 226 G N -0.136 108.671 108.800 0.010 0.000 2.621 226 G HA2 0.356 4.315 3.960 -0.003 0.000 0.271 226 G HA3 0.356 4.315 3.960 -0.003 0.000 0.271 226 G C -0.432 174.466 174.900 -0.003 0.000 1.236 226 G CA -0.303 44.800 45.100 0.006 0.000 0.958 226 G HN 0.099 nan 8.290 nan 0.000 0.512 227 Q N -1.739 118.050 119.800 -0.019 0.000 2.377 227 Q HA 0.509 4.847 4.340 -0.003 0.000 0.271 227 Q C -1.285 174.668 176.000 -0.078 0.000 1.077 227 Q CA -0.872 54.907 55.803 -0.040 0.000 0.820 227 Q CB 3.029 31.743 28.738 -0.039 0.000 1.347 227 Q HN 0.392 nan 8.270 nan 0.000 0.444 228 V N 3.000 122.837 119.914 -0.127 0.000 2.349 228 V HA 0.287 4.405 4.120 -0.003 0.000 0.284 228 V C -0.564 175.401 176.094 -0.215 0.000 1.014 228 V CA -0.184 61.965 62.300 -0.251 0.000 0.826 228 V CB 0.257 31.794 31.823 -0.476 0.000 1.009 228 V HN 0.962 nan 8.190 nan 0.000 0.431 229 N N 5.058 123.654 118.700 -0.172 0.000 2.714 229 N HA -0.208 4.530 4.740 -0.003 0.000 0.253 229 N C 1.070 176.525 175.510 -0.090 0.000 1.024 229 N CA 0.652 53.627 53.050 -0.125 0.000 0.726 229 N CB -0.893 37.510 38.487 -0.139 0.000 0.908 229 N HN 1.614 nan 8.380 nan 0.000 0.542 230 G N -0.520 108.236 108.800 -0.074 0.000 2.205 230 G HA2 -0.373 3.585 3.960 -0.003 0.000 0.261 230 G HA3 -0.373 3.585 3.960 -0.003 0.000 0.261 230 G C 0.124 174.995 174.900 -0.048 0.000 0.980 230 G CA 1.078 46.146 45.100 -0.053 0.000 0.632 230 G HN 0.744 nan 8.290 nan 0.000 0.533 231 R N -0.278 120.186 120.500 -0.059 0.000 2.832 231 R HA 0.761 5.100 4.340 -0.003 0.000 0.271 231 R C -3.217 173.059 176.300 -0.039 0.000 0.996 231 R CA -2.625 53.449 56.100 -0.043 0.000 0.977 231 R CB 0.234 30.510 30.300 -0.040 0.000 1.168 231 R HN 0.063 nan 8.270 nan 0.000 0.482 232 P HA 0.023 nan 4.420 nan 0.000 0.264 232 P C -0.387 176.915 177.300 0.003 0.000 1.193 232 P CA -0.067 63.027 63.100 -0.010 0.000 0.763 232 P CB 0.465 32.162 31.700 -0.004 0.000 0.810 233 I N 2.888 123.467 120.570 0.016 0.000 2.638 233 I HA 0.141 4.309 4.170 -0.003 0.000 0.286 233 I C 0.619 176.767 176.117 0.052 0.000 1.088 233 I CA -0.108 61.225 61.300 0.056 0.000 1.397 233 I CB 0.898 38.945 38.000 0.078 0.000 1.414 233 I HN 0.369 nan 8.210 nan 0.000 0.566 234 T N 2.300 116.895 114.554 0.069 0.000 2.899 234 T HA 0.210 4.558 4.350 -0.003 0.000 0.284 234 T C 1.045 175.758 174.700 0.023 0.000 1.004 234 T CA -0.479 61.644 62.100 0.039 0.000 1.043 234 T CB 1.581 70.471 68.868 0.037 0.000 1.013 234 T HN 0.675 nan 8.240 nan 0.000 0.518 235 S N 0.752 116.452 115.700 0.001 0.000 2.370 235 S HA -0.153 4.315 4.470 -0.003 0.000 0.226 235 S C 1.670 176.245 174.600 -0.042 0.000 1.033 235 S CA 1.759 59.949 58.200 -0.017 0.000 1.011 235 S CB -0.682 62.504 63.200 -0.024 0.000 0.852 235 S HN 0.993 nan 8.310 nan 0.000 0.457 236 D N 0.847 121.217 120.400 -0.049 0.000 2.097 236 D HA -0.146 4.492 4.640 -0.003 0.000 0.195 236 D C 1.913 178.160 176.300 -0.088 0.000 0.989 236 D CA 1.377 55.322 54.000 -0.092 0.000 0.827 236 D CB -0.110 40.647 40.800 -0.071 0.000 0.966 236 D HN 0.459 nan 8.370 nan 0.000 0.456 237 E N -0.104 120.082 120.200 -0.024 0.000 2.077 237 E HA -0.155 4.194 4.350 -0.003 0.000 0.193 237 E C 2.206 178.814 176.600 0.014 0.000 0.989 237 E CA 0.960 57.358 56.400 -0.004 0.000 0.800 237 E CB -0.216 29.565 29.700 0.136 0.000 0.746 237 E HN 0.403 nan 8.360 nan 0.000 0.452 238 A N 1.794 124.633 122.820 0.032 0.000 1.908 238 A HA -0.266 4.053 4.320 -0.003 0.000 0.218 238 A C 2.075 179.670 177.584 0.018 0.000 1.181 238 A CA 1.741 53.801 52.037 0.039 0.000 0.627 238 A CB -0.451 18.566 19.000 0.028 0.000 0.818 238 A HN 0.085 nan 8.150 nan 0.000 0.445 239 K N -0.328 120.048 120.400 -0.041 0.000 2.032 239 K HA -0.185 4.133 4.320 -0.003 0.000 0.209 239 K C 2.205 178.794 176.600 -0.018 0.000 1.048 239 K CA 1.646 57.881 56.287 -0.087 0.000 0.927 239 K CB -0.195 32.137 32.500 -0.280 0.000 0.712 239 K HN 0.464 nan 8.250 nan 0.000 0.441 240 R N -0.067 120.406 120.500 -0.044 0.000 2.148 240 R HA -0.069 4.269 4.340 -0.003 0.000 0.227 240 R C 2.334 178.752 176.300 0.196 0.000 1.103 240 R CA 1.461 57.646 56.100 0.142 0.000 0.983 240 R CB -0.157 30.155 30.300 0.019 0.000 0.874 240 R HN 0.330 nan 8.270 nan 0.000 0.451 241 M N -0.387 119.268 119.600 0.093 0.000 2.248 241 M HA -0.095 4.383 4.480 -0.003 0.000 0.265 241 M C 1.886 178.224 176.300 0.064 0.000 1.079 241 M CA 1.405 56.751 55.300 0.077 0.000 1.150 241 M CB 0.113 32.765 32.600 0.088 0.000 1.366 241 M HN 0.174 nan 8.290 nan 0.000 0.433 242 C N 0.676 120.028 119.300 0.087 0.000 2.422 242 C HA -0.046 4.413 4.460 -0.003 0.000 0.279 242 C C 2.724 177.755 174.990 0.068 0.000 1.305 242 C CA 0.969 60.044 59.018 0.096 0.000 1.757 242 C CB -1.937 25.870 27.740 0.112 0.000 1.962 242 C HN 0.818 nan 8.230 nan 0.000 0.499 243 G N 0.432 109.290 108.800 0.098 0.000 2.418 243 G HA2 -0.208 3.750 3.960 -0.003 0.000 0.217 243 G HA3 -0.208 3.750 3.960 -0.003 0.000 0.217 243 G C 1.511 176.011 174.900 -0.666 0.000 1.158 243 G CA 1.000 46.063 45.100 -0.062 0.000 0.771 243 G HN 0.471 nan 8.290 nan 0.000 0.545 244 L N 0.625 121.437 121.223 -0.684 0.000 2.046 244 L HA 0.077 4.415 4.340 -0.003 0.000 0.208 244 L C 2.713 179.376 176.870 -0.344 0.000 1.077 244 L CA 1.344 55.779 54.840 -0.675 0.000 0.747 244 L CB -0.484 41.417 42.059 -0.263 0.000 0.896 244 L HN 0.211 nan 8.230 nan 0.000 0.432 245 L N -1.384 119.747 121.223 -0.152 0.000 2.012 245 L HA -0.264 4.075 4.340 -0.003 0.000 0.210 245 L C 2.546 179.290 176.870 -0.210 0.000 1.073 245 L CA 1.055 55.872 54.840 -0.037 0.000 0.748 245 L CB -0.767 41.398 42.059 0.177 0.000 0.891 245 L HN 0.305 nan 8.230 nan 0.000 0.431 246 L N -0.749 120.395 121.223 -0.132 0.000 2.042 246 L HA -0.197 4.142 4.340 -0.003 0.000 0.210 246 L C 2.431 179.049 176.870 -0.421 0.000 1.076 246 L CA 1.466 56.166 54.840 -0.233 0.000 0.749 246 L CB -0.759 41.267 42.059 -0.054 0.000 0.893 246 L HN -0.016 nan 8.230 nan 0.000 0.432 247 V N -0.653 119.038 119.914 -0.372 0.000 2.307 247 V HA -0.215 3.903 4.120 -0.003 0.000 0.245 247 V C 2.456 178.389 176.094 -0.269 0.000 1.045 247 V CA 1.588 63.713 62.300 -0.292 0.000 1.024 247 V CB -0.638 31.021 31.823 -0.273 0.000 0.651 247 V HN 0.448 nan 8.190 nan 0.000 0.449 248 V N -0.474 119.273 119.914 -0.279 0.000 2.913 248 V HA 0.035 4.154 4.120 -0.003 0.000 0.260 248 V C 2.131 178.027 176.094 -0.330 0.000 1.098 248 V CA 2.033 64.206 62.300 -0.213 0.000 1.121 248 V CB -1.218 30.525 31.823 -0.133 0.000 0.714 248 V HN 0.424 nan 8.190 nan 0.000 0.487 249 G N -0.309 108.085 108.800 -0.678 0.000 2.683 249 G HA2 0.122 4.080 3.960 -0.003 0.000 0.213 249 G HA3 0.122 4.080 3.960 -0.003 0.000 0.213 249 G C 1.073 175.610 174.900 -0.604 0.000 1.142 249 G CA 0.443 44.957 45.100 -0.977 0.000 0.793 249 G HN 0.478 nan 8.290 nan 0.000 0.534 250 L N -0.328 120.621 121.223 -0.456 0.000 2.766 250 L HA 0.413 4.751 4.340 -0.003 0.000 0.242 250 L C 1.152 177.935 176.870 -0.145 0.000 1.136 250 L CA 0.514 55.207 54.840 -0.244 0.000 0.933 250 L CB 1.140 43.071 42.059 -0.213 0.000 1.241 250 L HN 0.065 nan 8.230 nan 0.000 0.522 251 D N -1.970 118.354 120.400 -0.127 0.000 3.208 251 D HA -0.031 4.608 4.640 -0.003 0.000 0.281 251 D C 2.007 178.298 176.300 -0.015 0.000 1.328 251 D CA 1.290 55.256 54.000 -0.058 0.000 1.102 251 D CB 0.379 41.158 40.800 -0.036 0.000 1.267 251 D HN 0.129 nan 8.370 nan 0.000 0.405 252 T N -0.312 114.238 114.554 -0.005 0.000 2.544 252 T HA -0.211 4.138 4.350 -0.003 0.000 0.264 252 T C 2.082 176.837 174.700 0.093 0.000 1.096 252 T CA 2.024 64.147 62.100 0.039 0.000 1.181 252 T CB -1.147 67.735 68.868 0.024 0.000 0.864 252 T HN -0.006 nan 8.240 nan 0.000 0.415 253 V N 1.658 121.619 119.914 0.079 0.000 2.324 253 V HA -0.190 3.928 4.120 -0.003 0.000 0.250 253 V C 2.974 179.160 176.094 0.154 0.000 1.060 253 V CA 1.719 64.106 62.300 0.145 0.000 1.042 253 V CB -1.000 30.877 31.823 0.089 0.000 0.650 253 V HN 0.420 nan 8.190 nan 0.000 0.450 254 V N 0.719 120.671 119.914 0.062 0.000 2.282 254 V HA -0.308 3.811 4.120 -0.003 0.000 0.249 254 V C 2.271 178.382 176.094 0.029 0.000 1.057 254 V CA 2.454 64.770 62.300 0.027 0.000 1.032 254 V CB -0.818 30.989 31.823 -0.026 0.000 0.645 254 V HN 0.623 nan 8.190 nan 0.000 0.447 255 N N -0.826 117.894 118.700 0.033 0.000 2.250 255 N HA -0.100 4.638 4.740 -0.003 0.000 0.181 255 N C 1.773 177.293 175.510 0.017 0.000 1.017 255 N CA 1.373 54.401 53.050 -0.036 0.000 0.866 255 N CB -0.279 38.210 38.487 0.004 0.000 0.985 255 N HN 0.555 nan 8.380 nan 0.000 0.429 256 F N 2.114 122.112 119.950 0.079 0.000 2.234 256 F HA 0.005 4.530 4.527 -0.003 0.000 0.299 256 F C 2.087 177.963 175.800 0.127 0.000 1.087 256 F CA 0.754 58.856 58.000 0.169 0.000 1.340 256 F CB -0.088 38.977 39.000 0.108 0.000 1.031 256 F HN -0.095 nan 8.300 nan 0.000 0.500 257 L N -0.777 120.507 121.223 0.100 0.000 2.131 257 L HA -0.224 4.114 4.340 -0.003 0.000 0.210 257 L C 2.468 179.353 176.870 0.024 0.000 1.092 257 L CA 1.288 56.191 54.840 0.105 0.000 0.759 257 L CB -0.810 41.454 42.059 0.342 0.000 0.903 257 L HN 0.080 nan 8.230 nan 0.000 0.435 258 S N -0.669 115.015 115.700 -0.027 0.000 2.387 258 S HA -0.066 4.402 4.470 -0.003 0.000 0.226 258 S C 1.742 176.107 174.600 -0.391 0.000 1.026 258 S CA 0.930 59.059 58.200 -0.119 0.000 0.972 258 S CB -0.203 62.901 63.200 -0.161 0.000 0.814 258 S HN 0.218 nan 8.310 nan 0.000 0.477 259 F N 2.176 121.865 119.950 -0.436 0.000 2.134 259 F HA -0.055 4.471 4.527 -0.003 0.000 0.299 259 F C 2.729 177.949 175.800 -0.966 0.000 1.097 259 F CA 0.777 58.362 58.000 -0.693 0.000 1.264 259 F CB -0.910 37.676 39.000 -0.690 0.000 1.001 259 F HN 0.099 nan 8.300 nan 0.000 0.479 260 S N -0.421 114.865 115.700 -0.689 0.000 2.368 260 S HA -0.207 4.262 4.470 -0.003 0.000 0.224 260 S C 1.995 176.393 174.600 -0.337 0.000 1.029 260 S CA 1.278 59.159 58.200 -0.532 0.000 0.988 260 S CB -0.364 62.563 63.200 -0.455 0.000 0.838 260 S HN 0.244 nan 8.310 nan 0.000 0.462 261 M N 1.873 121.192 119.600 -0.467 0.000 2.254 261 M HA 0.024 4.502 4.480 -0.003 0.000 0.265 261 M C 1.862 177.926 176.300 -0.395 0.000 1.066 261 M CA 1.290 56.215 55.300 -0.624 0.000 1.123 261 M CB -0.474 31.263 32.600 -1.437 0.000 1.388 261 M HN 0.335 nan 8.290 nan 0.000 0.425 262 E N -1.000 118.999 120.200 -0.334 0.000 2.051 262 E HA -0.256 4.092 4.350 -0.003 0.000 0.192 262 E C 2.007 178.542 176.600 -0.109 0.000 0.991 262 E CA 1.551 57.848 56.400 -0.172 0.000 0.799 262 E CB -0.433 29.207 29.700 -0.099 0.000 0.748 262 E HN 0.554 nan 8.360 nan 0.000 0.449 263 F N 1.238 121.011 119.950 -0.295 0.000 2.134 263 F HA -0.172 4.353 4.527 -0.003 0.000 0.299 263 F C 1.967 177.695 175.800 -0.119 0.000 1.097 263 F CA 1.309 59.198 58.000 -0.185 0.000 1.264 263 F CB -0.075 38.793 39.000 -0.219 0.000 1.001 263 F HN 0.004 nan 8.300 nan 0.000 0.479 264 L N 0.062 121.131 121.223 -0.257 0.000 2.131 264 L HA -0.181 4.157 4.340 -0.003 0.000 0.210 264 L C 2.806 179.436 176.870 -0.400 0.000 1.092 264 L CA 1.012 55.674 54.840 -0.298 0.000 0.759 264 L CB -1.096 40.955 42.059 -0.013 0.000 0.903 264 L HN 0.289 nan 8.230 nan 0.000 0.435 265 A N 0.088 122.763 122.820 -0.241 0.000 1.969 265 A HA -0.173 4.145 4.320 -0.003 0.000 0.218 265 A C 2.171 179.584 177.584 -0.285 0.000 1.169 265 A CA 1.399 53.268 52.037 -0.281 0.000 0.635 265 A CB -0.211 18.842 19.000 0.088 0.000 0.810 265 A HN 0.346 nan 8.150 nan 0.000 0.445 266 K N -0.695 119.549 120.400 -0.260 0.000 2.404 266 K HA 0.133 4.451 4.320 -0.003 0.000 0.194 266 K C 0.278 176.711 176.600 -0.278 0.000 1.023 266 K CA 0.446 56.608 56.287 -0.209 0.000 1.094 266 K CB 0.318 32.745 32.500 -0.121 0.000 0.841 266 K HN 0.228 nan 8.250 nan 0.000 0.523 267 S N 1.373 116.816 115.700 -0.428 0.000 2.130 267 S HA 0.266 4.735 4.470 -0.003 0.000 0.165 267 S C -2.292 172.165 174.600 -0.238 0.000 1.677 267 S CA -1.758 56.222 58.200 -0.368 0.000 1.227 267 S CB 0.622 63.394 63.200 -0.713 0.000 1.115 267 S HN -0.115 nan 8.310 nan 0.000 0.452 268 P HA -0.103 nan 4.420 nan 0.000 0.217 268 P C 0.977 178.226 177.300 -0.084 0.000 1.148 268 P CA 1.073 64.081 63.100 -0.154 0.000 0.828 268 P CB 0.255 31.882 31.700 -0.121 0.000 0.783 269 E N -1.817 118.349 120.200 -0.056 0.000 2.106 269 E HA -0.181 4.167 4.350 -0.003 0.000 0.192 269 E C 1.857 178.409 176.600 -0.080 0.000 0.984 269 E CA 1.280 57.640 56.400 -0.066 0.000 0.806 269 E CB -0.906 28.743 29.700 -0.085 0.000 0.750 269 E HN 0.462 nan 8.360 nan 0.000 0.458 270 H N -0.426 118.607 119.070 -0.061 0.000 2.428 270 H HA 0.134 4.688 4.556 -0.003 0.000 0.296 270 H C 1.843 177.268 175.328 0.161 0.000 1.062 270 H CA 1.087 57.177 56.048 0.070 0.000 1.350 270 H CB 0.201 30.000 29.762 0.061 0.000 1.403 270 H HN -0.005 nan 8.280 nan 0.000 0.533 271 R N 0.079 120.656 120.500 0.129 0.000 2.075 271 R HA -0.156 4.182 4.340 -0.003 0.000 0.232 271 R C 2.166 178.512 176.300 0.078 0.000 1.126 271 R CA 1.357 57.508 56.100 0.085 0.000 0.963 271 R CB -0.139 30.134 30.300 -0.046 0.000 0.858 271 R HN 0.272 nan 8.270 nan 0.000 0.435 272 Q N 1.211 121.032 119.800 0.036 0.000 2.096 272 Q HA -0.207 4.132 4.340 -0.003 0.000 0.204 272 Q C 1.863 177.893 176.000 0.050 0.000 0.982 272 Q CA 1.848 57.666 55.803 0.026 0.000 0.850 272 Q CB -0.070 28.667 28.738 -0.002 0.000 0.901 272 Q HN 0.336 nan 8.270 nan 0.000 0.422 273 E N -0.544 119.698 120.200 0.070 0.000 2.058 273 E HA -0.203 4.145 4.350 -0.003 0.000 0.194 273 E C 1.718 178.393 176.600 0.125 0.000 0.997 273 E CA 1.367 57.828 56.400 0.100 0.000 0.801 273 E CB -0.170 29.613 29.700 0.138 0.000 0.746 273 E HN 0.452 nan 8.360 nan 0.000 0.450 274 L N 0.448 121.762 121.223 0.151 0.000 2.291 274 L HA -0.074 4.264 4.340 -0.003 0.000 0.214 274 L C 2.338 179.248 176.870 0.066 0.000 1.120 274 L CA 0.390 55.287 54.840 0.095 0.000 0.799 274 L CB -0.168 41.943 42.059 0.086 0.000 0.925 274 L HN 0.253 nan 8.230 nan 0.000 0.446 275 I N -0.399 120.210 120.570 0.065 0.000 2.333 275 I HA -0.184 3.984 4.170 -0.003 0.000 0.246 275 I C 2.202 178.340 176.117 0.035 0.000 1.106 275 I CA 1.123 62.450 61.300 0.045 0.000 1.411 275 I CB -0.035 37.988 38.000 0.039 0.000 1.082 275 I HN 0.234 nan 8.210 nan 0.000 0.420 276 E N 0.891 121.113 120.200 0.037 0.000 2.230 276 E HA -0.007 4.341 4.350 -0.003 0.000 0.192 276 E C 0.371 176.991 176.600 0.033 0.000 0.987 276 E CA 0.505 56.923 56.400 0.030 0.000 0.841 276 E CB 0.274 29.990 29.700 0.027 0.000 0.783 276 E HN 0.417 nan 8.360 nan 0.000 0.481 277 R N 0.406 120.931 120.500 0.043 0.000 2.681 277 R HA 0.191 4.529 4.340 -0.003 0.000 0.277 277 R C -2.402 173.921 176.300 0.038 0.000 1.563 277 R CA -1.337 54.788 56.100 0.042 0.000 1.673 277 R CB 0.879 31.211 30.300 0.052 0.000 1.258 277 R HN -0.039 nan 8.270 nan 0.000 0.650 278 P HA -0.246 nan 4.420 nan 0.000 0.220 278 P C 1.149 178.461 177.300 0.019 0.000 1.144 278 P CA 1.169 64.284 63.100 0.024 0.000 0.800 278 P CB 0.260 31.974 31.700 0.023 0.000 0.772 279 E N 0.045 120.259 120.200 0.023 0.000 2.515 279 E HA -0.146 4.202 4.350 -0.003 0.000 0.201 279 E C 1.344 177.955 176.600 0.019 0.000 1.071 279 E CA 0.854 57.267 56.400 0.022 0.000 0.880 279 E CB -0.518 29.197 29.700 0.025 0.000 0.828 279 E HN 0.327 nan 8.360 nan 0.000 0.540 280 R N 0.081 120.589 120.500 0.014 0.000 2.312 280 R HA 0.318 4.656 4.340 -0.003 0.000 0.205 280 R C 2.246 178.503 176.300 -0.071 0.000 0.904 280 R CA -0.047 56.053 56.100 0.001 0.000 1.052 280 R CB -0.002 30.321 30.300 0.039 0.000 1.014 280 R HN 0.151 nan 8.270 nan 0.000 0.503 281 I N 1.763 122.297 120.570 -0.060 0.000 2.118 281 I HA -0.247 3.921 4.170 -0.003 0.000 0.241 281 I C -0.785 175.292 176.117 -0.067 0.000 1.070 281 I CA 1.706 62.955 61.300 -0.086 0.000 1.327 281 I CB -1.052 36.936 38.000 -0.020 0.000 1.034 281 I HN 0.032 nan 8.210 nan 0.000 0.405 282 P HA -0.188 nan 4.420 nan 0.000 0.215 282 P C 1.395 178.705 177.300 0.016 0.000 1.153 282 P CA 1.905 65.016 63.100 0.019 0.000 0.853 282 P CB -0.027 31.692 31.700 0.032 0.000 0.788 283 A N -0.380 122.440 122.820 0.000 0.000 1.968 283 A HA -0.000 4.318 4.320 -0.003 0.000 0.217 283 A C 2.262 179.839 177.584 -0.010 0.000 1.169 283 A CA 1.697 53.750 52.037 0.026 0.000 0.638 283 A CB -1.453 17.577 19.000 0.050 0.000 0.812 283 A HN 0.182 nan 8.150 nan 0.000 0.446 284 A N -0.864 121.832 122.820 -0.207 0.000 1.898 284 A HA -0.186 4.133 4.320 -0.003 0.000 0.216 284 A C 2.372 179.869 177.584 -0.144 0.000 1.181 284 A CA 1.560 53.265 52.037 -0.554 0.000 0.620 284 A CB -1.444 16.786 19.000 -1.283 0.000 0.819 284 A HN 0.908 nan 8.150 nan 0.000 0.442 285 C N -0.446 118.828 119.300 -0.044 0.000 2.413 285 C HA -0.145 4.313 4.460 -0.003 0.000 0.276 285 C C 2.544 177.608 174.990 0.124 0.000 1.248 285 C CA 1.927 61.004 59.018 0.098 0.000 1.742 285 C CB -1.053 26.752 27.740 0.109 0.000 2.017 285 C HN 0.667 nan 8.230 nan 0.000 0.481 286 E N 0.654 120.914 120.200 0.100 0.000 2.072 286 E HA -0.155 4.194 4.350 -0.003 0.000 0.191 286 E C 2.070 178.724 176.600 0.089 0.000 0.985 286 E CA 1.687 58.154 56.400 0.112 0.000 0.801 286 E CB -0.387 29.407 29.700 0.156 0.000 0.750 286 E HN 0.781 nan 8.360 nan 0.000 0.452 287 E N -0.079 120.200 120.200 0.133 0.000 2.150 287 E HA -0.105 4.243 4.350 -0.003 0.000 0.193 287 E C 1.823 178.467 176.600 0.073 0.000 0.985 287 E CA 0.996 57.475 56.400 0.132 0.000 0.814 287 E CB -0.227 29.647 29.700 0.289 0.000 0.752 287 E HN 0.335 nan 8.360 nan 0.000 0.466 288 L N -0.186 121.147 121.223 0.184 0.000 2.109 288 L HA -0.061 4.278 4.340 -0.003 0.000 0.207 288 L C 2.413 179.503 176.870 0.367 0.000 1.086 288 L CA 0.604 55.620 54.840 0.295 0.000 0.760 288 L CB -0.325 41.994 42.059 0.434 0.000 0.910 288 L HN 0.199 nan 8.230 nan 0.000 0.437 289 L N -0.381 120.942 121.223 0.167 0.000 2.131 289 L HA -0.207 4.131 4.340 -0.003 0.000 0.210 289 L C 2.853 179.493 176.870 -0.384 0.000 1.092 289 L CA 1.121 55.803 54.840 -0.263 0.000 0.759 289 L CB -0.408 41.310 42.059 -0.569 0.000 0.903 289 L HN 0.272 nan 8.230 nan 0.000 0.435 290 R N 0.232 120.537 120.500 -0.324 0.000 2.055 290 R HA -0.181 4.158 4.340 -0.003 0.000 0.228 290 R C 2.479 178.607 176.300 -0.285 0.000 1.143 290 R CA 1.326 57.255 56.100 -0.285 0.000 0.945 290 R CB -0.123 30.118 30.300 -0.099 0.000 0.841 290 R HN 0.051 nan 8.270 nan 0.000 0.429 291 R N 0.131 120.405 120.500 -0.378 0.000 2.096 291 R HA -0.094 4.245 4.340 -0.003 0.000 0.235 291 R C 0.754 176.521 176.300 -0.888 0.000 1.127 291 R CA 1.689 57.368 56.100 -0.703 0.000 0.968 291 R CB -0.318 29.347 30.300 -1.058 0.000 0.861 291 R HN 0.293 nan 8.270 nan 0.000 0.440 292 F N 0.243 120.086 119.950 -0.179 0.000 2.850 292 F HA 0.394 4.920 4.527 -0.003 0.000 0.306 292 F C 0.469 176.150 175.800 -0.199 0.000 1.162 292 F CA -0.584 57.252 58.000 -0.273 0.000 1.327 292 F CB 0.267 39.101 39.000 -0.276 0.000 0.953 292 F HN -0.126 nan 8.300 nan 0.000 0.507 293 S N 1.830 117.433 115.700 -0.162 0.000 2.558 293 S HA 0.146 4.614 4.470 -0.003 0.000 0.287 293 S C 0.942 175.384 174.600 -0.264 0.000 1.321 293 S CA 0.012 58.071 58.200 -0.236 0.000 1.048 293 S CB 0.449 63.477 63.200 -0.286 0.000 0.844 293 S HN 0.569 nan 8.310 nan 0.000 0.512 294 L N 2.202 123.291 121.223 -0.224 0.000 3.360 294 L HA 0.567 4.905 4.340 -0.003 0.000 0.303 294 L C -0.699 176.028 176.870 -0.238 0.000 1.218 294 L CA -0.524 54.189 54.840 -0.212 0.000 1.059 294 L CB 0.187 42.269 42.059 0.039 0.000 1.468 294 L HN 0.314 nan 8.230 nan 0.000 0.614 295 V N 1.834 121.594 119.914 -0.256 0.000 2.612 295 V HA 0.829 4.947 4.120 -0.003 0.000 0.301 295 V C 0.289 176.204 176.094 -0.298 0.000 1.046 295 V CA 0.079 62.242 62.300 -0.227 0.000 0.946 295 V CB 1.491 33.224 31.823 -0.150 0.000 1.003 295 V HN 0.351 nan 8.190 nan 0.000 0.459 296 A N 3.262 125.922 122.820 -0.268 0.000 2.741 296 A HA 0.643 4.962 4.320 -0.003 0.000 0.298 296 A C -0.745 176.750 177.584 -0.148 0.000 1.153 296 A CA -0.638 51.258 52.037 -0.236 0.000 0.816 296 A CB 0.493 19.226 19.000 -0.446 0.000 1.396 296 A HN 0.843 nan 8.150 nan 0.000 0.407 297 D N 1.132 121.501 120.400 -0.053 0.000 2.723 297 D HA 0.864 5.502 4.640 -0.003 0.000 0.247 297 D C 0.491 176.822 176.300 0.052 0.000 1.134 297 D CA 0.065 54.036 54.000 -0.048 0.000 1.099 297 D CB 1.190 42.011 40.800 0.034 0.000 1.287 297 D HN 0.863 nan 8.370 nan 0.000 0.634 298 G N -1.736 107.104 108.800 0.066 0.000 2.677 298 G HA2 0.564 4.522 3.960 -0.003 0.000 0.283 298 G HA3 0.564 4.522 3.960 -0.003 0.000 0.283 298 G C -1.121 173.806 174.900 0.045 0.000 1.221 298 G CA -0.740 44.383 45.100 0.038 0.000 0.851 298 G HN 0.460 nan 8.290 nan 0.000 0.504 299 R N -1.228 119.291 120.500 0.032 0.000 2.831 299 R HA 0.625 4.964 4.340 -0.003 0.000 0.266 299 R C -1.447 174.933 176.300 0.133 0.000 1.051 299 R CA -0.734 55.419 56.100 0.089 0.000 0.943 299 R CB 1.794 32.182 30.300 0.147 0.000 1.228 299 R HN 0.594 nan 8.270 nan 0.000 0.467 300 I N 1.374 122.025 120.570 0.135 0.000 2.569 300 I HA 0.275 4.443 4.170 -0.003 0.000 0.296 300 I C -0.609 175.574 176.117 0.111 0.000 1.028 300 I CA -1.067 60.314 61.300 0.135 0.000 1.082 300 I CB 1.323 39.377 38.000 0.089 0.000 1.264 300 I HN 0.234 nan 8.210 nan 0.000 0.429 301 L N 6.481 127.767 121.223 0.106 0.000 2.462 301 L HA 0.097 4.435 4.340 -0.003 0.000 0.272 301 L C 1.613 178.472 176.870 -0.019 0.000 1.166 301 L CA 0.456 55.288 54.840 -0.013 0.000 0.880 301 L CB 0.939 43.017 42.059 0.031 0.000 1.142 301 L HN 0.799 nan 8.230 nan 0.000 0.473 302 T N -1.410 113.099 114.554 -0.075 0.000 3.085 302 T HA 0.052 4.401 4.350 -0.003 0.000 0.263 302 T C 0.735 175.418 174.700 -0.028 0.000 1.127 302 T CA 0.506 62.578 62.100 -0.045 0.000 1.103 302 T CB 0.093 68.913 68.868 -0.079 0.000 0.921 302 T HN 0.673 nan 8.240 nan 0.000 0.510 303 S N -0.569 115.117 115.700 -0.023 0.000 2.643 303 S HA 0.353 4.821 4.470 -0.003 0.000 0.266 303 S C -2.166 172.442 174.600 0.012 0.000 1.130 303 S CA -1.208 56.994 58.200 0.003 0.000 0.817 303 S CB 0.604 63.813 63.200 0.015 0.000 1.107 303 S HN 0.074 nan 8.310 nan 0.000 0.471 304 D N 1.030 121.442 120.400 0.019 0.000 2.443 304 D HA 0.466 5.104 4.640 -0.003 0.000 0.239 304 D C -0.764 175.582 176.300 0.076 0.000 1.136 304 D CA 1.041 55.055 54.000 0.024 0.000 0.879 304 D CB 0.180 40.983 40.800 0.006 0.000 1.195 304 D HN 0.561 nan 8.370 nan 0.000 0.443 305 Y N 0.287 120.505 120.300 -0.138 0.000 2.436 305 Y HA 0.152 4.701 4.550 -0.003 0.000 0.327 305 Y C -1.279 174.546 175.900 -0.124 0.000 1.138 305 Y CA -0.937 57.030 58.100 -0.221 0.000 1.042 305 Y CB 1.190 39.364 38.460 -0.475 0.000 1.302 305 Y HN 0.238 nan 8.280 nan 0.000 0.439 306 E N 5.950 125.831 120.200 -0.532 0.000 2.152 306 E HA 0.308 4.656 4.350 -0.003 0.000 0.285 306 E C -1.643 174.520 176.600 -0.727 0.000 1.043 306 E CA -0.292 55.835 56.400 -0.455 0.000 0.839 306 E CB 1.117 30.654 29.700 -0.271 0.000 1.069 306 E HN 0.378 nan 8.360 nan 0.000 0.399 307 F N 3.668 123.261 119.950 -0.595 0.000 2.445 307 F HA 0.196 4.722 4.527 -0.003 0.000 0.348 307 F C -0.045 175.704 175.800 -0.085 0.000 1.125 307 F CA -0.699 57.077 58.000 -0.374 0.000 0.983 307 F CB 0.277 39.196 39.000 -0.135 0.000 1.198 307 F HN 0.562 nan 8.300 nan 0.000 0.436 308 H N 4.023 122.771 119.070 -0.536 0.000 2.692 308 H HA -0.191 4.363 4.556 -0.003 0.000 0.316 308 H C 1.423 176.603 175.328 -0.247 0.000 1.176 308 H CA 1.029 56.817 56.048 -0.433 0.000 1.142 308 H CB -0.999 28.421 29.762 -0.571 0.000 1.475 308 H HN 1.166 nan 8.280 nan 0.000 0.423 309 G N -1.017 107.695 108.800 -0.147 0.000 2.184 309 G HA2 -0.332 3.627 3.960 -0.003 0.000 0.264 309 G HA3 -0.332 3.627 3.960 -0.003 0.000 0.264 309 G C 0.301 175.167 174.900 -0.057 0.000 0.975 309 G CA 0.393 45.441 45.100 -0.086 0.000 0.642 309 G HN 0.481 nan 8.290 nan 0.000 0.536 310 V N 0.563 120.424 119.914 -0.090 0.000 2.459 310 V HA 0.605 4.723 4.120 -0.003 0.000 0.295 310 V C 0.321 176.333 176.094 -0.137 0.000 1.029 310 V CA -0.769 61.462 62.300 -0.115 0.000 0.874 310 V CB 1.836 33.519 31.823 -0.234 0.000 0.985 310 V HN 0.331 nan 8.190 nan 0.000 0.438 311 Q N 4.455 124.224 119.800 -0.051 0.000 2.337 311 Q HA 0.469 4.808 4.340 -0.003 0.000 0.255 311 Q C -1.101 174.948 176.000 0.081 0.000 0.997 311 Q CA 0.253 56.059 55.803 0.005 0.000 0.925 311 Q CB 0.557 29.341 28.738 0.078 0.000 1.212 311 Q HN 0.681 nan 8.270 nan 0.000 0.436 312 L N 3.688 124.909 121.223 -0.004 0.000 2.322 312 L HA 0.572 4.911 4.340 -0.003 0.000 0.279 312 L C 0.238 177.163 176.870 0.092 0.000 1.036 312 L CA -1.039 53.857 54.840 0.092 0.000 0.807 312 L CB 1.221 43.254 42.059 -0.043 0.000 1.226 312 L HN 0.359 nan 8.230 nan 0.000 0.433 313 K N 1.973 122.426 120.400 0.089 0.000 2.156 313 K HA 0.299 4.617 4.320 -0.003 0.000 0.250 313 K C -0.518 176.096 176.600 0.024 0.000 0.955 313 K CA -0.924 55.311 56.287 -0.087 0.000 0.855 313 K CB 2.012 34.246 32.500 -0.444 0.000 1.101 313 K HN 0.423 nan 8.250 nan 0.000 0.434 314 K N 0.166 120.566 120.400 0.000 0.000 2.511 314 K HA -0.041 4.278 4.320 -0.003 0.000 0.280 314 K C 0.751 177.385 176.600 0.055 0.000 1.008 314 K CA 1.571 57.872 56.287 0.024 0.000 1.050 314 K CB -0.118 32.388 32.500 0.009 0.000 0.889 314 K HN 0.776 nan 8.250 nan 0.000 0.484 315 G N 2.935 111.783 108.800 0.081 0.000 2.217 315 G HA2 -0.224 3.735 3.960 -0.003 0.000 0.246 315 G HA3 -0.224 3.735 3.960 -0.003 0.000 0.246 315 G C -0.305 174.703 174.900 0.178 0.000 0.990 315 G CA 0.194 45.358 45.100 0.107 0.000 0.627 315 G HN 0.733 nan 8.290 nan 0.000 0.522 316 D N 1.387 121.938 120.400 0.253 0.000 2.414 316 D HA 0.423 5.062 4.640 -0.003 0.000 0.242 316 D C 0.828 177.361 176.300 0.388 0.000 1.129 316 D CA 0.498 54.753 54.000 0.426 0.000 0.885 316 D CB 0.541 41.750 40.800 0.683 0.000 1.198 316 D HN 0.485 nan 8.370 nan 0.000 0.437 317 Q N 0.892 120.920 119.800 0.380 0.000 2.230 317 Q HA 0.598 4.936 4.340 -0.003 0.000 0.253 317 Q C -0.438 175.777 176.000 0.358 0.000 0.919 317 Q CA -0.587 55.378 55.803 0.270 0.000 0.908 317 Q CB 2.487 31.310 28.738 0.141 0.000 1.245 317 Q HN 0.451 nan 8.270 nan 0.000 0.437 318 I N 2.978 123.713 120.570 0.274 0.000 2.478 318 I HA 0.249 4.417 4.170 -0.003 0.000 0.287 318 I C -1.632 174.542 176.117 0.095 0.000 1.042 318 I CA -1.071 60.399 61.300 0.283 0.000 1.067 318 I CB 1.234 39.403 38.000 0.282 0.000 1.233 318 I HN 0.496 nan 8.210 nan 0.000 0.431 319 L N 8.369 129.655 121.223 0.104 0.000 2.319 319 L HA 0.428 4.767 4.340 -0.003 0.000 0.280 319 L C -1.119 175.760 176.870 0.014 0.000 1.099 319 L CA 0.234 55.090 54.840 0.027 0.000 0.828 319 L CB 0.861 42.956 42.059 0.059 0.000 1.150 319 L HN 0.545 nan 8.230 nan 0.000 0.442 320 L N 7.509 128.707 121.223 -0.043 0.000 2.502 320 L HA 0.381 4.719 4.340 -0.003 0.000 0.247 320 L C -2.172 174.737 176.870 0.066 0.000 1.180 320 L CA -1.700 53.074 54.840 -0.111 0.000 0.956 320 L CB 0.880 42.611 42.059 -0.546 0.000 1.282 320 L HN 0.490 nan 8.230 nan 0.000 0.470 321 P HA -0.007 nan 4.420 nan 0.000 0.254 321 P C 0.307 177.592 177.300 -0.026 0.000 1.186 321 P CA 0.213 63.307 63.100 -0.010 0.000 0.868 321 P CB 0.661 32.381 31.700 0.034 0.000 0.856 322 Q N 2.633 122.419 119.800 -0.025 0.000 2.181 322 Q HA -0.195 4.143 4.340 -0.003 0.000 0.205 322 Q C 1.901 177.827 176.000 -0.124 0.000 0.980 322 Q CA 1.574 57.353 55.803 -0.040 0.000 0.862 322 Q CB -0.517 28.164 28.738 -0.096 0.000 0.905 322 Q HN 0.520 nan 8.270 nan 0.000 0.429 323 M N -0.298 119.167 119.600 -0.225 0.000 2.149 323 M HA -0.181 4.297 4.480 -0.003 0.000 0.261 323 M C 1.357 177.540 176.300 -0.196 0.000 1.064 323 M CA 1.513 56.645 55.300 -0.278 0.000 1.102 323 M CB 0.020 32.338 32.600 -0.469 0.000 1.369 323 M HN 0.287 nan 8.290 nan 0.000 0.408 324 L N -0.612 120.527 121.223 -0.139 0.000 2.217 324 L HA -0.109 4.230 4.340 -0.003 0.000 0.211 324 L C 2.382 179.208 176.870 -0.074 0.000 1.107 324 L CA 0.480 55.270 54.840 -0.084 0.000 0.783 324 L CB -0.532 41.501 42.059 -0.042 0.000 0.919 324 L HN 0.299 nan 8.230 nan 0.000 0.442 325 S N 0.536 116.197 115.700 -0.064 0.000 2.353 325 S HA -0.171 4.297 4.470 -0.003 0.000 0.222 325 S C 2.010 176.582 174.600 -0.047 0.000 1.035 325 S CA 1.552 59.719 58.200 -0.054 0.000 1.025 325 S CB -0.639 62.534 63.200 -0.046 0.000 0.902 325 S HN 0.607 nan 8.310 nan 0.000 0.440 326 G N 0.808 109.585 108.800 -0.038 0.000 2.509 326 G HA2 -0.013 3.945 3.960 -0.003 0.000 0.218 326 G HA3 -0.013 3.945 3.960 -0.003 0.000 0.218 326 G C 1.113 175.971 174.900 -0.070 0.000 1.124 326 G CA 0.294 45.378 45.100 -0.027 0.000 0.776 326 G HN 0.460 nan 8.290 nan 0.000 0.547 327 L N 0.148 121.318 121.223 -0.088 0.000 2.567 327 L HA 0.179 4.517 4.340 -0.003 0.000 0.225 327 L C 0.518 177.347 176.870 -0.068 0.000 1.119 327 L CA -0.326 54.459 54.840 -0.092 0.000 0.871 327 L CB 0.056 42.055 42.059 -0.100 0.000 1.036 327 L HN 0.007 nan 8.230 nan 0.000 0.459 328 D N 1.939 122.302 120.400 -0.062 0.000 2.382 328 D HA -0.088 4.550 4.640 -0.003 0.000 0.259 328 D C 1.364 177.636 176.300 -0.047 0.000 1.224 328 D CA 0.133 54.099 54.000 -0.057 0.000 0.894 328 D CB 1.039 41.804 40.800 -0.059 0.000 1.127 328 D HN 0.370 nan 8.370 nan 0.000 0.487 329 E N 3.852 124.026 120.200 -0.043 0.000 2.267 329 E HA -0.229 4.120 4.350 -0.003 0.000 0.197 329 E C 1.007 177.589 176.600 -0.030 0.000 0.998 329 E CA 0.757 57.137 56.400 -0.033 0.000 0.830 329 E CB -0.001 29.681 29.700 -0.031 0.000 0.751 329 E HN 0.450 nan 8.360 nan 0.000 0.491 330 R N 0.336 120.815 120.500 -0.035 0.000 2.235 330 R HA 0.024 4.362 4.340 -0.003 0.000 0.213 330 R C 1.694 177.977 176.300 -0.029 0.000 1.059 330 R CA 1.146 57.227 56.100 -0.032 0.000 0.997 330 R CB 0.062 30.340 30.300 -0.038 0.000 0.884 330 R HN 0.334 nan 8.270 nan 0.000 0.462 331 E N -0.368 119.813 120.200 -0.031 0.000 2.372 331 E HA 0.120 4.468 4.350 -0.003 0.000 0.201 331 E C -0.263 176.326 176.600 -0.019 0.000 0.938 331 E CA 0.166 56.549 56.400 -0.028 0.000 0.944 331 E CB 0.630 30.308 29.700 -0.035 0.000 0.937 331 E HN 0.177 nan 8.360 nan 0.000 0.495 332 N N 0.500 119.188 118.700 -0.019 0.000 2.519 332 N HA 0.259 4.998 4.740 -0.003 0.000 0.291 332 N C -1.178 174.326 175.510 -0.010 0.000 1.107 332 N CA -0.185 52.858 53.050 -0.011 0.000 0.904 332 N CB 1.990 40.469 38.487 -0.014 0.000 1.500 332 N HN -0.027 nan 8.380 nan 0.000 0.510 333 A N 0.507 123.327 122.820 -0.001 0.000 2.483 333 A HA 0.242 4.561 4.320 -0.003 0.000 0.238 333 A C 0.801 178.390 177.584 0.009 0.000 1.070 333 A CA 0.044 52.080 52.037 -0.001 0.000 0.770 333 A CB -0.174 18.827 19.000 0.001 0.000 1.008 333 A HN 0.974 nan 8.150 nan 0.000 0.497 334 C N 1.694 120.995 119.300 0.001 0.000 3.727 334 C HA -0.105 4.353 4.460 -0.003 0.000 0.293 334 C C -0.213 174.795 174.990 0.030 0.000 1.339 334 C CA -0.054 58.973 59.018 0.015 0.000 2.150 334 C CB -2.485 25.264 27.740 0.015 0.000 1.383 334 C HN 0.883 nan 8.230 nan 0.000 0.614 335 P HA -0.207 nan 4.420 nan 0.000 0.216 335 P C 1.437 178.690 177.300 -0.078 0.000 1.150 335 P CA 1.720 64.793 63.100 -0.045 0.000 0.843 335 P CB -0.016 31.652 31.700 -0.054 0.000 0.787 336 M N -1.610 117.960 119.600 -0.050 0.000 2.619 336 M HA 0.010 4.488 4.480 -0.003 0.000 0.251 336 M C 0.829 177.097 176.300 -0.053 0.000 1.106 336 M CA 0.375 55.628 55.300 -0.078 0.000 1.086 336 M CB -1.900 30.682 32.600 -0.030 0.000 1.465 336 M HN 0.046 nan 8.290 nan 0.000 0.506 337 H N 0.374 119.383 119.070 -0.103 0.000 2.646 337 H HA 0.354 4.908 4.556 -0.003 0.000 0.325 337 H C -1.023 174.229 175.328 -0.126 0.000 1.075 337 H CA -0.274 55.727 56.048 -0.078 0.000 1.421 337 H CB 0.769 30.509 29.762 -0.038 0.000 1.461 337 H HN -0.179 nan 8.280 nan 0.000 0.525 338 V N 5.988 125.509 119.914 -0.654 0.000 2.348 338 V HA 0.156 4.274 4.120 -0.003 0.000 0.270 338 V C -0.241 175.477 176.094 -0.626 0.000 1.037 338 V CA -0.400 61.534 62.300 -0.610 0.000 0.872 338 V CB 0.836 32.212 31.823 -0.745 0.000 1.002 338 V HN 0.842 nan 8.190 nan 0.000 0.464 339 D N 3.941 124.102 120.400 -0.397 0.000 2.473 339 D HA 0.375 5.014 4.640 -0.003 0.000 0.253 339 D C 0.374 176.676 176.300 0.002 0.000 1.233 339 D CA -0.551 53.315 54.000 -0.223 0.000 0.908 339 D CB 1.108 41.874 40.800 -0.057 0.000 1.170 339 D HN 0.210 nan 8.370 nan 0.000 0.558 340 F N 1.431 121.432 119.950 0.085 0.000 2.546 340 F HA 0.011 4.536 4.527 -0.002 0.000 0.298 340 F C 2.173 178.009 175.800 0.061 0.000 1.120 340 F CA 0.359 58.409 58.000 0.084 0.000 1.456 340 F CB -0.469 38.600 39.000 0.116 0.000 1.088 340 F HN 0.292 nan 8.300 nan 0.000 0.572 341 S N -0.985 114.835 115.700 0.200 0.000 2.556 341 S HA 0.056 4.525 4.470 -0.003 0.000 0.216 341 S C 0.918 175.580 174.600 0.104 0.000 0.970 341 S CA -0.499 57.781 58.200 0.134 0.000 0.912 341 S CB -0.248 63.010 63.200 0.098 0.000 0.790 341 S HN 0.182 nan 8.310 nan 0.000 0.504 342 R N 2.342 122.906 120.500 0.106 0.000 2.485 342 R HA -0.049 4.289 4.340 -0.003 0.000 0.304 342 R C 1.245 177.590 176.300 0.074 0.000 0.934 342 R CA 0.262 56.411 56.100 0.082 0.000 1.102 342 R CB 0.300 30.646 30.300 0.076 0.000 0.906 342 R HN 0.265 nan 8.270 nan 0.000 0.407 343 Q N 2.981 122.815 119.800 0.058 0.000 1.948 343 Q HA -0.193 4.145 4.340 -0.003 0.000 0.205 343 Q C 0.340 176.366 176.000 0.044 0.000 0.992 343 Q CA 1.694 57.526 55.803 0.048 0.000 0.849 343 Q CB -0.227 28.533 28.738 0.037 0.000 0.918 343 Q HN 0.313 nan 8.270 nan 0.000 0.421 344 K N 1.331 121.752 120.400 0.036 0.000 2.419 344 K HA 0.262 4.580 4.320 -0.003 0.000 0.244 344 K C -1.460 175.157 176.600 0.029 0.000 1.045 344 K CA -0.252 56.052 56.287 0.027 0.000 1.004 344 K CB 0.861 33.370 32.500 0.016 0.000 1.376 344 K HN -0.167 nan 8.250 nan 0.000 0.460 345 V N 3.208 123.149 119.914 0.045 0.000 2.397 345 V HA 0.157 4.276 4.120 -0.003 0.000 0.262 345 V C 0.207 176.316 176.094 0.025 0.000 1.047 345 V CA -0.319 62.022 62.300 0.068 0.000 1.003 345 V CB 0.543 32.442 31.823 0.126 0.000 1.037 345 V HN 0.724 nan 8.190 nan 0.000 0.480 346 S N 4.729 120.433 115.700 0.008 0.000 2.489 346 S HA 0.782 5.250 4.470 -0.003 0.000 0.291 346 S C -0.620 173.973 174.600 -0.012 0.000 1.151 346 S CA -0.451 57.711 58.200 -0.063 0.000 1.082 346 S CB 0.490 63.665 63.200 -0.042 0.000 1.019 346 S HN 1.144 nan 8.310 nan 0.000 0.492 347 H N -0.408 118.644 119.070 -0.031 0.000 2.921 347 H HA 0.411 4.965 4.556 -0.003 0.000 0.287 347 H C -0.664 174.638 175.328 -0.043 0.000 1.434 347 H CA -0.375 55.637 56.048 -0.061 0.000 1.178 347 H CB 0.434 30.144 29.762 -0.087 0.000 1.836 347 H HN 0.339 nan 8.280 nan 0.000 0.495 348 T N -2.485 112.169 114.554 0.167 0.000 3.487 348 T HA 0.185 4.534 4.350 -0.003 0.000 0.287 348 T C 0.458 175.204 174.700 0.077 0.000 1.004 348 T CA 0.135 62.306 62.100 0.119 0.000 0.977 348 T CB -0.374 68.512 68.868 0.029 0.000 1.180 348 T HN 0.619 nan 8.240 nan 0.000 0.490 349 T N 1.364 115.976 114.554 0.096 0.000 2.803 349 T HA 0.001 4.349 4.350 -0.003 0.000 0.269 349 T C 0.463 174.920 174.700 -0.405 0.000 1.052 349 T CA 1.339 63.241 62.100 -0.329 0.000 1.136 349 T CB -0.399 68.015 68.868 -0.757 0.000 0.864 349 T HN 0.502 nan 8.240 nan 0.000 0.467 350 F N 1.126 121.063 119.950 -0.022 0.000 2.645 350 F HA 0.472 4.998 4.527 -0.002 0.000 0.300 350 F C 1.569 177.325 175.800 -0.074 0.000 1.115 350 F CA -0.231 57.729 58.000 -0.066 0.000 1.355 350 F CB -0.401 38.565 39.000 -0.057 0.000 1.026 350 F HN 0.293 nan 8.300 nan 0.000 0.536 351 G N 0.054 108.870 108.800 0.027 0.000 2.660 351 G HA2 -0.084 3.874 3.960 -0.003 0.000 0.247 351 G HA3 -0.084 3.874 3.960 -0.003 0.000 0.247 351 G C -1.463 173.437 174.900 0.000 0.000 1.328 351 G CA -0.690 44.349 45.100 -0.101 0.000 0.884 351 G HN 0.516 nan 8.290 nan 0.000 0.531 352 H N -1.069 117.851 119.070 -0.250 0.000 3.079 352 H HA 0.689 5.243 4.556 -0.003 0.000 0.356 352 H C 0.512 175.827 175.328 -0.022 0.000 1.221 352 H CA 1.809 57.809 56.048 -0.079 0.000 1.185 352 H CB 1.387 31.160 29.762 0.019 0.000 1.882 352 H HN 2.663 nan 8.280 nan 0.000 0.543 353 G N 0.873 109.462 108.800 -0.352 0.000 2.545 353 G HA2 -0.216 3.743 3.960 -0.003 0.000 0.216 353 G HA3 -0.216 3.743 3.960 -0.003 0.000 0.216 353 G C 0.975 175.833 174.900 -0.070 0.000 1.314 353 G CA 0.405 45.450 45.100 -0.091 0.000 0.906 353 G HN 1.351 nan 8.290 nan 0.000 0.563 354 S N -1.027 114.654 115.700 -0.031 0.000 2.515 354 S HA -0.003 4.466 4.470 -0.003 0.000 0.231 354 S C 1.273 175.713 174.600 -0.267 0.000 0.987 354 S CA 1.721 59.818 58.200 -0.172 0.000 0.936 354 S CB -0.224 62.800 63.200 -0.294 0.000 0.766 354 S HN 0.727 nan 8.310 nan 0.000 0.528 355 H N 0.505 119.549 119.070 -0.043 0.000 2.520 355 H HA 0.356 4.910 4.556 -0.003 0.000 0.284 355 H C 0.385 175.679 175.328 -0.057 0.000 1.037 355 H CA -0.407 55.619 56.048 -0.037 0.000 1.168 355 H CB -0.032 29.719 29.762 -0.018 0.000 1.497 355 H HN 0.366 nan 8.280 nan 0.000 0.547 356 L N 1.856 123.074 121.223 -0.009 0.000 2.640 356 L HA -0.119 4.219 4.340 -0.003 0.000 0.280 356 L C 0.647 177.504 176.870 -0.022 0.000 1.229 356 L CA 0.128 54.954 54.840 -0.023 0.000 0.919 356 L CB 0.229 42.256 42.059 -0.053 0.000 1.168 356 L HN 0.376 nan 8.230 nan 0.000 0.496 357 C N 5.928 125.229 119.300 0.002 0.000 2.211 357 C HA -0.089 4.369 4.460 -0.003 0.000 0.393 357 C C 1.728 176.628 174.990 -0.149 0.000 1.531 357 C CA -0.169 58.833 59.018 -0.027 0.000 1.465 357 C CB -0.941 26.836 27.740 0.062 0.000 2.534 357 C HN 0.866 nan 8.230 nan 0.000 0.592 358 L N 5.066 126.225 121.223 -0.107 0.000 2.446 358 L HA 0.185 4.523 4.340 -0.003 0.000 0.219 358 L C 2.358 179.116 176.870 -0.187 0.000 1.116 358 L CA 1.160 55.923 54.840 -0.128 0.000 0.844 358 L CB -0.354 41.682 42.059 -0.040 0.000 0.970 358 L HN 0.950 nan 8.230 nan 0.000 0.457 359 G N -0.554 108.140 108.800 -0.177 0.000 3.189 359 G HA2 -0.046 3.913 3.960 -0.003 0.000 0.225 359 G HA3 -0.046 3.913 3.960 -0.003 0.000 0.225 359 G C 1.340 176.061 174.900 -0.298 0.000 1.159 359 G CA -0.073 44.929 45.100 -0.163 0.000 0.763 359 G HN 0.493 nan 8.290 nan 0.000 0.549 360 Q N 0.011 119.447 119.800 -0.606 0.000 2.248 360 Q HA -0.216 4.123 4.340 -0.003 0.000 0.208 360 Q C 1.698 177.304 176.000 -0.656 0.000 0.984 360 Q CA 1.392 56.560 55.803 -1.058 0.000 0.875 360 Q CB -0.534 27.142 28.738 -1.770 0.000 0.910 360 Q HN 0.458 nan 8.270 nan 0.000 0.433 361 H N 0.329 119.236 119.070 -0.271 0.000 2.395 361 H HA -0.024 4.530 4.556 -0.002 0.000 0.299 361 H C 2.055 177.335 175.328 -0.080 0.000 1.070 361 H CA 1.223 57.182 56.048 -0.149 0.000 1.356 361 H CB -0.111 29.589 29.762 -0.104 0.000 1.401 361 H HN 0.271 nan 8.280 nan 0.000 0.524 362 L N 1.078 122.307 121.223 0.011 0.000 2.109 362 L HA 0.097 4.436 4.340 -0.003 0.000 0.207 362 L C 2.430 179.318 176.870 0.028 0.000 1.086 362 L CA 1.578 56.432 54.840 0.023 0.000 0.760 362 L CB -0.866 41.199 42.059 0.010 0.000 0.910 362 L HN 0.139 nan 8.230 nan 0.000 0.437 363 A N -0.174 122.651 122.820 0.007 0.000 1.877 363 A HA -0.196 4.123 4.320 -0.003 0.000 0.216 363 A C 2.429 180.095 177.584 0.137 0.000 1.186 363 A CA 1.677 53.767 52.037 0.089 0.000 0.620 363 A CB -0.548 18.553 19.000 0.168 0.000 0.822 363 A HN 0.477 nan 8.150 nan 0.000 0.443 364 R N -1.193 119.367 120.500 0.100 0.000 2.096 364 R HA -0.141 4.197 4.340 -0.003 0.000 0.235 364 R C 2.424 178.809 176.300 0.143 0.000 1.127 364 R CA 1.534 57.714 56.100 0.134 0.000 0.968 364 R CB -0.270 30.088 30.300 0.097 0.000 0.861 364 R HN 0.444 nan 8.270 nan 0.000 0.440 365 R N 1.626 122.199 120.500 0.122 0.000 2.081 365 R HA -0.120 4.218 4.340 -0.003 0.000 0.235 365 R C 1.627 178.047 176.300 0.201 0.000 1.131 365 R CA 1.750 57.931 56.100 0.135 0.000 0.960 365 R CB -0.219 30.143 30.300 0.104 0.000 0.856 365 R HN 0.263 nan 8.270 nan 0.000 0.436 366 E N -0.433 119.897 120.200 0.218 0.000 2.150 366 E HA -0.119 4.230 4.350 -0.003 0.000 0.193 366 E C 1.949 178.821 176.600 0.453 0.000 0.985 366 E CA 1.426 58.048 56.400 0.370 0.000 0.814 366 E CB -0.098 29.720 29.700 0.197 0.000 0.752 366 E HN 0.372 nan 8.360 nan 0.000 0.466 367 I N 0.669 121.441 120.570 0.335 0.000 2.193 367 I HA -0.247 3.921 4.170 -0.003 0.000 0.240 367 I C 2.317 178.583 176.117 0.248 0.000 1.084 367 I CA 0.971 62.470 61.300 0.332 0.000 1.365 367 I CB -0.180 38.029 38.000 0.348 0.000 1.064 367 I HN 0.079 nan 8.210 nan 0.000 0.410 368 I N 0.170 120.861 120.570 0.201 0.000 2.163 368 I HA -0.272 3.896 4.170 -0.003 0.000 0.243 368 I C 2.542 178.744 176.117 0.142 0.000 1.085 368 I CA 1.283 62.669 61.300 0.143 0.000 1.347 368 I CB -0.292 37.778 38.000 0.116 0.000 1.044 368 I HN 0.021 nan 8.210 nan 0.000 0.408 369 V N 0.410 120.433 119.914 0.181 0.000 2.407 369 V HA -0.298 3.820 4.120 -0.003 0.000 0.248 369 V C 2.465 178.638 176.094 0.131 0.000 1.055 369 V CA 2.443 64.844 62.300 0.168 0.000 1.049 369 V CB -0.870 31.099 31.823 0.244 0.000 0.662 369 V HN 0.488 nan 8.190 nan 0.000 0.455 370 T N 0.281 114.935 114.554 0.167 0.000 2.737 370 T HA -0.103 4.245 4.350 -0.003 0.000 0.265 370 T C 1.879 176.629 174.700 0.083 0.000 1.038 370 T CA 1.461 63.625 62.100 0.106 0.000 1.144 370 T CB -0.257 68.741 68.868 0.216 0.000 0.866 370 T HN 0.295 nan 8.240 nan 0.000 0.434 371 L N 0.715 121.995 121.223 0.095 0.000 2.012 371 L HA -0.138 4.201 4.340 -0.003 0.000 0.210 371 L C 2.756 179.680 176.870 0.091 0.000 1.073 371 L CA 1.546 56.433 54.840 0.078 0.000 0.748 371 L CB -0.532 41.566 42.059 0.064 0.000 0.891 371 L HN 0.223 nan 8.230 nan 0.000 0.431 372 K N 0.072 120.517 120.400 0.075 0.000 1.985 372 K HA -0.185 4.133 4.320 -0.003 0.000 0.210 372 K C 1.997 178.624 176.600 0.045 0.000 1.047 372 K CA 1.434 57.756 56.287 0.058 0.000 0.932 372 K CB 0.048 32.579 32.500 0.051 0.000 0.716 372 K HN 0.183 nan 8.250 nan 0.000 0.439 373 E N -0.095 120.128 120.200 0.039 0.000 2.268 373 E HA -0.204 4.144 4.350 -0.003 0.000 0.195 373 E C 1.640 178.213 176.600 -0.045 0.000 0.995 373 E CA 0.636 57.033 56.400 -0.005 0.000 0.836 373 E CB -0.184 29.512 29.700 -0.007 0.000 0.763 373 E HN 0.554 nan 8.360 nan 0.000 0.491 374 W N 1.069 122.256 121.300 -0.188 0.000 2.480 374 W HA 0.009 4.667 4.660 -0.003 0.000 0.299 374 W C 1.731 178.129 176.519 -0.201 0.000 1.187 374 W CA 0.554 57.732 57.345 -0.280 0.000 1.347 374 W CB -0.282 28.954 29.460 -0.373 0.000 1.121 374 W HN -0.003 nan 8.180 nan 0.000 0.533 375 L N 0.500 121.830 121.223 0.179 0.000 2.141 375 L HA -0.199 4.140 4.340 -0.003 0.000 0.209 375 L C 2.335 179.207 176.870 0.005 0.000 1.094 375 L CA 1.577 56.502 54.840 0.142 0.000 0.763 375 L CB -1.157 40.994 42.059 0.153 0.000 0.908 375 L HN -0.146 nan 8.230 nan 0.000 0.437 376 T N -0.611 113.924 114.554 -0.032 0.000 2.821 376 T HA -0.131 4.218 4.350 -0.003 0.000 0.267 376 T C 2.034 176.663 174.700 -0.118 0.000 1.046 376 T CA 1.265 63.331 62.100 -0.056 0.000 1.139 376 T CB -0.016 68.825 68.868 -0.045 0.000 0.871 376 T HN 0.348 nan 8.240 nan 0.000 0.454 377 R N -0.104 120.264 120.500 -0.220 0.000 2.146 377 R HA 0.330 4.668 4.340 -0.003 0.000 0.206 377 R C 0.554 176.617 176.300 -0.396 0.000 1.049 377 R CA 0.582 56.503 56.100 -0.298 0.000 1.029 377 R CB 0.407 30.484 30.300 -0.372 0.000 0.949 377 R HN 0.304 nan 8.270 nan 0.000 0.471 378 I N 2.736 122.970 120.570 -0.561 0.000 2.905 378 I HA 0.184 4.353 4.170 -0.003 0.000 0.297 378 I C -1.893 174.158 176.117 -0.110 0.000 1.358 378 I CA -1.563 59.375 61.300 -0.603 0.000 0.975 378 I CB 1.738 38.899 38.000 -1.399 0.000 1.857 378 I HN -0.108 nan 8.210 nan 0.000 0.612 379 P HA -0.088 nan 4.420 nan 0.000 0.223 379 P C 0.153 177.525 177.300 0.119 0.000 1.151 379 P CA 1.167 64.326 63.100 0.099 0.000 0.787 379 P CB 0.344 32.060 31.700 0.027 0.000 0.788 380 D N -0.237 120.245 120.400 0.137 0.000 2.492 380 D HA 0.481 5.120 4.640 -0.003 0.000 0.248 380 D C -0.833 175.652 176.300 0.308 0.000 1.101 380 D CA -0.717 53.346 54.000 0.105 0.000 0.840 380 D CB 0.729 41.577 40.800 0.080 0.000 1.209 380 D HN -0.035 nan 8.370 nan 0.000 0.524 381 F N 0.752 120.777 119.950 0.124 0.000 2.807 381 F HA 0.718 5.244 4.527 -0.003 0.000 0.316 381 F C -1.297 174.590 175.800 0.145 0.000 1.162 381 F CA -0.967 57.175 58.000 0.237 0.000 0.910 381 F CB 0.664 39.845 39.000 0.301 0.000 1.314 381 F HN 0.237 nan 8.300 nan 0.000 0.454 382 S N 0.705 116.619 115.700 0.357 0.000 2.643 382 S HA 0.693 5.161 4.470 -0.003 0.000 0.270 382 S C -1.449 173.275 174.600 0.207 0.000 1.166 382 S CA -1.118 57.171 58.200 0.147 0.000 0.815 382 S CB 1.342 64.569 63.200 0.044 0.000 1.139 382 S HN 0.804 nan 8.310 nan 0.000 0.472 383 I N 1.956 122.589 120.570 0.106 0.000 2.692 383 I HA 0.328 4.497 4.170 -0.003 0.000 0.284 383 I C 1.377 177.543 176.117 0.082 0.000 1.159 383 I CA -0.025 61.330 61.300 0.092 0.000 1.423 383 I CB 0.026 38.055 38.000 0.047 0.000 1.380 383 I HN 1.001 nan 8.210 nan 0.000 0.580 384 A N 8.392 131.257 122.820 0.076 0.000 2.531 384 A HA 0.244 4.562 4.320 -0.003 0.000 0.236 384 A C -2.074 175.529 177.584 0.032 0.000 1.062 384 A CA -0.749 51.317 52.037 0.048 0.000 0.760 384 A CB -0.946 18.076 19.000 0.037 0.000 0.995 384 A HN 0.542 nan 8.150 nan 0.000 0.501 385 P HA 0.155 nan 4.420 nan 0.000 0.260 385 P C 1.092 178.399 177.300 0.013 0.000 1.172 385 P CA 2.021 65.130 63.100 0.014 0.000 0.760 385 P CB 0.321 32.025 31.700 0.007 0.000 0.773 386 G N 2.458 111.266 108.800 0.013 0.000 2.196 386 G HA2 -0.272 3.686 3.960 -0.003 0.000 0.268 386 G HA3 -0.272 3.686 3.960 -0.003 0.000 0.268 386 G C 0.513 175.421 174.900 0.014 0.000 0.975 386 G CA 0.102 45.209 45.100 0.011 0.000 0.648 386 G HN 0.868 nan 8.290 nan 0.000 0.538 387 A N -0.382 122.449 122.820 0.018 0.000 2.477 387 A HA 0.614 4.932 4.320 -0.003 0.000 0.246 387 A C 0.457 178.053 177.584 0.019 0.000 1.078 387 A CA 0.530 52.580 52.037 0.022 0.000 0.770 387 A CB 0.268 19.287 19.000 0.031 0.000 1.011 387 A HN 0.565 nan 8.150 nan 0.000 0.494 388 Q N 2.096 121.906 119.800 0.017 0.000 2.456 388 Q HA 0.325 4.663 4.340 -0.003 0.000 0.252 388 Q C -0.824 175.183 176.000 0.011 0.000 1.042 388 Q CA -0.568 55.242 55.803 0.011 0.000 0.766 388 Q CB 1.442 30.185 28.738 0.007 0.000 1.196 388 Q HN 0.643 nan 8.270 nan 0.000 0.504 389 I N 2.757 123.334 120.570 0.011 0.000 2.664 389 I HA -0.045 4.123 4.170 -0.003 0.000 0.284 389 I C 0.457 176.564 176.117 -0.017 0.000 1.154 389 I CA 0.669 61.983 61.300 0.023 0.000 1.402 389 I CB -0.270 37.761 38.000 0.051 0.000 1.395 389 I HN 0.545 nan 8.210 nan 0.000 0.545 390 Q N 6.242 126.064 119.800 0.038 0.000 2.282 390 Q HA 0.433 4.771 4.340 -0.003 0.000 0.260 390 Q C -0.637 175.478 176.000 0.192 0.000 0.964 390 Q CA -0.583 55.244 55.803 0.040 0.000 0.880 390 Q CB 2.227 30.995 28.738 0.049 0.000 1.286 390 Q HN 0.601 nan 8.270 nan 0.000 0.445 391 H N 0.712 119.846 119.070 0.107 0.000 2.559 391 H HA 0.464 5.018 4.556 -0.003 0.000 0.343 391 H C -0.457 174.953 175.328 0.137 0.000 1.209 391 H CA -1.037 55.098 56.048 0.145 0.000 1.287 391 H CB 1.546 31.474 29.762 0.276 0.000 1.650 391 H HN 0.414 nan 8.280 nan 0.000 0.567 392 K N 0.419 120.990 120.400 0.284 0.000 2.427 392 K HA 0.495 4.814 4.320 -0.003 0.000 0.252 392 K C -1.142 175.606 176.600 0.246 0.000 0.931 392 K CA -0.867 55.547 56.287 0.211 0.000 0.793 392 K CB 2.530 35.115 32.500 0.142 0.000 1.211 392 K HN 0.357 nan 8.250 nan 0.000 0.426 393 S N 1.080 116.930 115.700 0.250 0.000 2.549 393 S HA 0.879 5.348 4.470 -0.003 0.000 0.297 393 S C -0.255 174.485 174.600 0.234 0.000 1.115 393 S CA 0.251 58.632 58.200 0.301 0.000 1.059 393 S CB 1.253 64.675 63.200 0.370 0.000 1.046 393 S HN 0.981 nan 8.310 nan 0.000 0.506 394 G N 2.645 111.544 108.800 0.165 0.000 2.393 394 G HA2 0.217 4.176 3.960 -0.003 0.000 0.264 394 G HA3 0.217 4.176 3.960 -0.003 0.000 0.264 394 G C 0.152 174.976 174.900 -0.127 0.000 1.221 394 G CA -0.363 44.723 45.100 -0.023 0.000 0.912 394 G HN 0.538 nan 8.290 nan 0.000 0.483 395 I N -0.005 120.465 120.570 -0.167 0.000 2.286 395 I HA 0.049 4.218 4.170 -0.003 0.000 0.248 395 I C 0.827 176.844 176.117 -0.167 0.000 1.115 395 I CA 1.410 62.541 61.300 -0.282 0.000 1.392 395 I CB -0.656 37.034 38.000 -0.516 0.000 1.065 395 I HN 0.026 nan 8.210 nan 0.000 0.418 396 V N 0.895 120.771 119.914 -0.063 0.000 2.447 396 V HA 0.265 4.384 4.120 -0.003 0.000 0.292 396 V C 0.145 176.261 176.094 0.036 0.000 1.021 396 V CA -0.550 61.735 62.300 -0.024 0.000 0.850 396 V CB 1.729 33.563 31.823 0.019 0.000 1.005 396 V HN 0.084 nan 8.190 nan 0.000 0.426 397 S N 2.617 118.345 115.700 0.046 0.000 2.614 397 S HA 0.849 5.317 4.470 -0.003 0.000 0.265 397 S C 0.496 175.245 174.600 0.248 0.000 1.303 397 S CA 0.186 58.482 58.200 0.161 0.000 1.000 397 S CB 1.634 64.923 63.200 0.147 0.000 0.935 397 S HN 1.143 nan 8.310 nan 0.000 0.551 398 G N -0.401 108.510 108.800 0.185 0.000 2.663 398 G HA2 0.536 4.494 3.960 -0.003 0.000 0.299 398 G HA3 0.536 4.494 3.960 -0.003 0.000 0.299 398 G C -1.772 172.927 174.900 -0.336 0.000 1.372 398 G CA -0.563 44.450 45.100 -0.146 0.000 0.781 398 G HN 0.616 nan 8.290 nan 0.000 0.491 399 V N 0.832 120.436 119.914 -0.516 0.000 2.398 399 V HA 0.306 4.425 4.120 -0.003 0.000 0.286 399 V C 1.403 177.443 176.094 -0.089 0.000 1.026 399 V CA -0.244 61.877 62.300 -0.299 0.000 0.868 399 V CB 1.308 32.886 31.823 -0.408 0.000 0.982 399 V HN 0.959 nan 8.190 nan 0.000 0.443 400 Q N 3.587 123.400 119.800 0.021 0.000 2.084 400 Q HA 0.064 4.402 4.340 -0.003 0.000 0.202 400 Q C 0.631 176.644 176.000 0.022 0.000 0.978 400 Q CA 1.657 57.478 55.803 0.030 0.000 0.844 400 Q CB 0.246 29.019 28.738 0.058 0.000 0.898 400 Q HN 0.962 nan 8.270 nan 0.000 0.426 401 A N -0.405 122.434 122.820 0.031 0.000 2.605 401 A HA 0.547 4.865 4.320 -0.003 0.000 0.294 401 A C -2.009 175.606 177.584 0.051 0.000 1.062 401 A CA -0.672 51.389 52.037 0.039 0.000 0.682 401 A CB 1.527 20.552 19.000 0.042 0.000 1.278 401 A HN 0.196 nan 8.150 nan 0.000 0.410 402 L N 2.368 123.637 121.223 0.076 0.000 2.489 402 L HA 0.482 4.820 4.340 -0.003 0.000 0.257 402 L C -2.689 174.252 176.870 0.118 0.000 1.215 402 L CA -1.328 53.562 54.840 0.084 0.000 0.915 402 L CB 1.783 43.887 42.059 0.076 0.000 1.146 402 L HN 0.455 nan 8.230 nan 0.000 0.494 403 P HA 0.252 nan 4.420 nan 0.000 0.276 403 P C -0.951 176.424 177.300 0.126 0.000 1.253 403 P CA 0.040 63.202 63.100 0.103 0.000 0.766 403 P CB 1.147 32.886 31.700 0.065 0.000 0.845 404 L N 3.815 125.148 121.223 0.185 0.000 2.333 404 L HA 0.733 5.071 4.340 -0.003 0.000 0.269 404 L C 0.428 177.423 176.870 0.208 0.000 1.010 404 L CA -1.214 53.793 54.840 0.279 0.000 0.818 404 L CB 2.211 44.524 42.059 0.424 0.000 1.306 404 L HN 0.228 nan 8.230 nan 0.000 0.430 405 V N -1.436 118.637 119.914 0.265 0.000 3.114 405 V HA 0.819 4.937 4.120 -0.003 0.000 0.308 405 V C -1.701 174.586 176.094 0.321 0.000 1.168 405 V CA -0.610 61.699 62.300 0.016 0.000 1.015 405 V CB 1.797 33.603 31.823 -0.028 0.000 1.050 405 V HN 0.995 nan 8.190 nan 0.000 0.433 406 W N 0.540 121.910 121.300 0.115 0.000 3.057 406 W HA 0.726 5.385 4.660 -0.003 0.000 0.328 406 W C -1.875 174.680 176.519 0.060 0.000 1.232 406 W CA -0.641 56.773 57.345 0.114 0.000 1.187 406 W CB 0.786 30.346 29.460 0.166 0.000 1.417 406 W HN 0.706 nan 8.180 nan 0.000 0.569 407 D N 1.891 122.471 120.400 0.300 0.000 2.313 407 D HA 0.378 5.016 4.640 -0.003 0.000 0.239 407 D C -1.501 174.961 176.300 0.270 0.000 1.142 407 D CA -2.454 51.647 54.000 0.169 0.000 0.847 407 D CB 1.953 42.824 40.800 0.118 0.000 1.082 407 D HN 0.059 nan 8.370 nan 0.000 0.480 408 P HA -0.126 nan 4.420 nan 0.000 0.218 408 P C 0.798 178.175 177.300 0.128 0.000 1.146 408 P CA 1.252 64.478 63.100 0.210 0.000 0.813 408 P CB 0.223 31.985 31.700 0.104 0.000 0.778 409 A N -0.822 122.053 122.820 0.091 0.000 2.168 409 A HA -0.081 4.237 4.320 -0.003 0.000 0.215 409 A C 1.922 179.540 177.584 0.055 0.000 1.152 409 A CA 1.781 53.853 52.037 0.058 0.000 0.716 409 A CB -1.460 17.566 19.000 0.042 0.000 0.794 409 A HN 0.333 nan 8.150 nan 0.000 0.465 410 T N -2.497 112.106 114.554 0.081 0.000 3.086 410 T HA 0.171 4.519 4.350 -0.003 0.000 0.250 410 T C 0.781 175.498 174.700 0.029 0.000 1.074 410 T CA 0.602 62.738 62.100 0.060 0.000 0.988 410 T CB -0.754 68.164 68.868 0.083 0.000 0.988 410 T HN 0.465 nan 8.240 nan 0.000 0.530 411 T N -0.133 114.435 114.554 0.023 0.000 2.927 411 T HA 0.601 4.950 4.350 -0.003 0.000 0.281 411 T C -0.742 173.930 174.700 -0.047 0.000 0.998 411 T CA -0.949 61.120 62.100 -0.051 0.000 1.019 411 T CB 1.604 70.426 68.868 -0.076 0.000 1.061 411 T HN 0.195 nan 8.240 nan 0.000 0.518 412 K N 0.900 121.251 120.400 -0.082 0.000 2.545 412 K HA 0.584 4.903 4.320 -0.003 0.000 0.252 412 K C -0.935 175.620 176.600 -0.076 0.000 0.948 412 K CA -0.848 55.402 56.287 -0.060 0.000 0.827 412 K CB 2.158 34.629 32.500 -0.050 0.000 1.128 412 K HN 0.815 nan 8.250 nan 0.000 0.429 413 A N 2.975 125.762 122.820 -0.055 0.000 2.376 413 A HA 0.539 4.857 4.320 -0.003 0.000 0.298 413 A C -0.230 177.328 177.584 -0.044 0.000 1.271 413 A CA -0.211 51.793 52.037 -0.055 0.000 0.926 413 A CB 0.140 19.118 19.000 -0.036 0.000 1.141 413 A HN 0.581 nan 8.150 nan 0.000 0.539 414 V N 0.000 119.884 119.914 -0.051 0.000 2.409 414 V HA 0.000 4.118 4.120 -0.003 0.000 0.244 414 V CA 0.000 62.279 62.300 -0.035 0.000 1.235 414 V CB 0.000 31.807 31.823 -0.027 0.000 1.184 414 V HN 0.000 nan 8.190 nan 0.000 0.556