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 1pha_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 RMCGLLLVGG 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 0.000 175.504 175.510 -0.009 0.000 1.280 10 N CA 0.000 53.044 53.050 -0.009 0.000 0.885 10 N CB 0.000 38.486 38.487 -0.001 0.000 1.341 11 L N 1.749 122.966 121.223 -0.011 0.000 2.343 11 L HA 0.800 5.140 4.340 -0.000 0.000 0.275 11 L C 0.851 177.729 176.870 0.013 0.000 1.056 11 L CA -0.454 54.380 54.840 -0.009 0.000 0.804 11 L CB 1.462 43.509 42.059 -0.020 0.000 1.203 11 L HN 0.538 nan 8.230 nan 0.000 0.440 12 A N 3.400 126.239 122.820 0.032 0.000 2.304 12 A HA 0.785 5.105 4.320 -0.000 0.000 0.301 12 A C -2.362 175.263 177.584 0.068 0.000 1.132 12 A CA -1.423 50.648 52.037 0.056 0.000 0.819 12 A CB -0.054 18.996 19.000 0.084 0.000 1.094 12 A HN 0.534 nan 8.150 nan 0.000 0.492 13 P HA 0.107 nan 4.420 nan 0.000 0.268 13 P C -0.481 176.830 177.300 0.018 0.000 1.204 13 P CA -0.185 62.929 63.100 0.025 0.000 0.768 13 P CB 0.431 32.139 31.700 0.013 0.000 0.842 14 L N 6.688 127.890 121.223 -0.035 0.000 2.462 14 L HA 0.211 4.551 4.340 -0.000 0.000 0.272 14 L C -1.987 174.754 176.870 -0.215 0.000 1.166 14 L CA -1.335 53.411 54.840 -0.156 0.000 0.880 14 L CB -0.698 41.249 42.059 -0.187 0.000 1.142 14 L HN 0.303 nan 8.230 nan 0.000 0.473 15 P HA 0.206 nan 4.420 nan 0.000 0.271 15 P C -2.212 174.923 177.300 -0.274 0.000 1.218 15 P CA -1.159 61.782 63.100 -0.265 0.000 0.780 15 P CB 0.081 31.555 31.700 -0.375 0.000 0.901 16 P HA -0.196 nan 4.420 nan 0.000 0.216 16 P C 1.195 178.468 177.300 -0.045 0.000 1.150 16 P CA 1.538 64.613 63.100 -0.041 0.000 0.843 16 P CB -0.423 31.292 31.700 0.025 0.000 0.787 17 H N -1.950 117.047 119.070 -0.121 0.000 2.556 17 H HA 0.105 4.661 4.556 -0.000 0.000 0.268 17 H C -0.020 175.261 175.328 -0.078 0.000 0.996 17 H CA 0.262 56.269 56.048 -0.069 0.000 1.157 17 H CB -0.984 28.777 29.762 -0.002 0.000 1.355 17 H HN -0.052 nan 8.280 nan 0.000 0.597 18 V N 4.443 124.022 119.914 -0.558 0.000 2.364 18 V HA 0.222 4.342 4.120 -0.000 0.000 0.272 18 V C -2.092 173.821 176.094 -0.302 0.000 1.036 18 V CA -1.769 60.219 62.300 -0.520 0.000 0.880 18 V CB 1.387 32.529 31.823 -1.134 0.000 0.991 18 V HN 0.178 nan 8.190 nan 0.000 0.460 19 P HA 0.138 nan 4.420 nan 0.000 0.271 19 P C 0.744 177.895 177.300 -0.248 0.000 1.216 19 P CA -0.263 62.709 63.100 -0.215 0.000 0.771 19 P CB 0.528 32.023 31.700 -0.342 0.000 0.864 20 E N 2.227 122.349 120.200 -0.131 0.000 2.338 20 E HA -0.247 4.103 4.350 -0.000 0.000 0.197 20 E C 1.267 177.858 176.600 -0.016 0.000 1.007 20 E CA 0.840 57.198 56.400 -0.070 0.000 0.849 20 E CB -0.652 29.030 29.700 -0.030 0.000 0.774 20 E HN 0.623 nan 8.360 nan 0.000 0.506 21 H N 0.807 119.899 119.070 0.036 0.000 2.547 21 H HA 0.088 4.644 4.556 -0.001 0.000 0.272 21 H C 1.537 176.921 175.328 0.094 0.000 0.989 21 H CA 0.427 56.509 56.048 0.056 0.000 1.214 21 H CB -0.028 29.760 29.762 0.044 0.000 1.389 21 H HN 0.247 nan 8.280 nan 0.000 0.577 22 L N 1.510 122.617 121.223 -0.194 0.000 2.607 22 L HA 0.190 4.530 4.340 -0.000 0.000 0.228 22 L C 0.184 177.137 176.870 0.138 0.000 1.123 22 L CA -0.278 54.574 54.840 0.019 0.000 0.890 22 L CB 0.702 42.793 42.059 0.054 0.000 1.103 22 L HN -0.023 nan 8.230 nan 0.000 0.468 23 V N 0.670 120.645 119.914 0.102 0.000 2.555 23 V HA 0.115 4.235 4.120 -0.000 0.000 0.286 23 V C -0.626 175.584 176.094 0.194 0.000 1.044 23 V CA 0.110 62.495 62.300 0.140 0.000 1.026 23 V CB 1.120 32.989 31.823 0.077 0.000 0.981 23 V HN 0.080 nan 8.190 nan 0.000 0.480 24 F N 3.538 123.504 119.950 0.027 0.000 3.051 24 F HA 0.376 4.903 4.527 -0.001 0.000 0.363 24 F C -0.261 175.528 175.800 -0.019 0.000 1.257 24 F CA -0.851 57.154 58.000 0.009 0.000 1.126 24 F CB 1.378 40.383 39.000 0.009 0.000 1.476 24 F HN 0.511 nan 8.300 nan 0.000 0.576 25 D N 6.380 126.587 120.400 -0.321 0.000 2.551 25 D HA 0.035 4.675 4.640 -0.000 0.000 0.223 25 D C -0.453 175.766 176.300 -0.135 0.000 1.144 25 D CA 0.409 54.288 54.000 -0.201 0.000 1.025 25 D CB -0.045 40.640 40.800 -0.192 0.000 1.085 25 D HN 0.236 nan 8.370 nan 0.000 0.506 26 F N 1.867 121.738 119.950 -0.132 0.000 2.411 26 F HA 0.149 4.676 4.527 -0.000 0.000 0.350 26 F C 0.371 176.073 175.800 -0.165 0.000 1.114 26 F CA -0.886 57.049 58.000 -0.109 0.000 1.135 26 F CB 1.021 39.984 39.000 -0.061 0.000 1.120 26 F HN -0.090 nan 8.300 nan 0.000 0.495 27 D N 7.127 127.118 120.400 -0.682 0.000 2.473 27 D HA 0.103 4.743 4.640 -0.000 0.000 0.226 27 D C 1.044 176.890 176.300 -0.756 0.000 1.089 27 D CA -0.416 53.300 54.000 -0.472 0.000 0.883 27 D CB 0.725 41.369 40.800 -0.261 0.000 1.029 27 D HN 0.722 nan 8.370 nan 0.000 0.517 28 M N 1.650 120.942 119.600 -0.514 0.000 2.337 28 M HA -0.177 4.302 4.480 -0.000 0.000 0.261 28 M C 0.310 176.415 176.300 -0.327 0.000 1.067 28 M CA 1.401 56.459 55.300 -0.403 0.000 1.074 28 M CB -0.346 32.214 32.600 -0.067 0.000 1.395 28 M HN 0.182 nan 8.290 nan 0.000 0.431 29 Y N 0.464 120.757 120.300 -0.011 0.000 2.510 29 Y HA 0.257 4.807 4.550 -0.000 0.000 0.273 29 Y C 0.809 176.705 175.900 -0.007 0.000 1.119 29 Y CA 0.208 58.331 58.100 0.038 0.000 1.286 29 Y CB 0.317 38.800 38.460 0.037 0.000 1.061 29 Y HN 0.475 nan 8.280 nan 0.000 0.542 30 N N 0.639 119.328 118.700 -0.019 0.000 2.785 30 N HA 0.127 4.867 4.740 -0.000 0.000 0.224 30 N C -3.329 172.050 175.510 -0.218 0.000 1.448 30 N CA -1.130 51.888 53.050 -0.053 0.000 0.748 30 N CB 1.038 39.526 38.487 0.001 0.000 1.385 30 N HN -0.167 nan 8.380 nan 0.000 0.538 31 P HA 0.166 nan 4.420 nan 0.000 0.272 31 P C 0.702 177.906 177.300 -0.160 0.000 1.223 31 P CA -0.079 62.749 63.100 -0.453 0.000 0.784 31 P CB 1.243 32.661 31.700 -0.470 0.000 0.923 32 S N 0.850 116.480 115.700 -0.118 0.000 2.356 32 S HA -0.118 4.351 4.470 -0.000 0.000 0.223 32 S C 1.133 175.742 174.600 0.015 0.000 1.032 32 S CA 1.385 59.564 58.200 -0.036 0.000 1.005 32 S CB -0.700 62.488 63.200 -0.019 0.000 0.867 32 S HN 0.677 nan 8.310 nan 0.000 0.449 33 N N 1.709 120.441 118.700 0.054 0.000 2.714 33 N HA 0.108 4.848 4.740 -0.000 0.000 0.298 33 N C 0.706 176.268 175.510 0.087 0.000 1.298 33 N CA -0.174 52.916 53.050 0.066 0.000 1.007 33 N CB 0.401 38.927 38.487 0.065 0.000 1.318 33 N HN 0.174 nan 8.380 nan 0.000 0.516 34 L N 0.935 122.207 121.223 0.081 0.000 2.127 34 L HA -0.134 4.206 4.340 -0.000 0.000 0.211 34 L C 1.945 178.863 176.870 0.080 0.000 1.089 34 L CA 1.518 56.425 54.840 0.113 0.000 0.757 34 L CB -0.584 41.542 42.059 0.110 0.000 0.899 34 L HN 0.199 nan 8.230 nan 0.000 0.434 35 S N -0.287 115.441 115.700 0.047 0.000 2.374 35 S HA -0.217 4.253 4.470 -0.000 0.000 0.227 35 S C 2.019 176.619 174.600 0.000 0.000 1.037 35 S CA 1.216 59.425 58.200 0.015 0.000 1.024 35 S CB -0.614 62.596 63.200 0.018 0.000 0.861 35 S HN 0.675 nan 8.310 nan 0.000 0.456 36 A N 0.647 123.488 122.820 0.035 0.000 2.168 36 A HA 0.465 4.785 4.320 -0.000 0.000 0.215 36 A C 1.118 178.735 177.584 0.055 0.000 1.152 36 A CA 0.917 52.981 52.037 0.046 0.000 0.716 36 A CB -0.648 18.395 19.000 0.073 0.000 0.794 36 A HN 0.922 nan 8.150 nan 0.000 0.465 37 G N -2.910 105.923 108.800 0.055 0.000 2.465 37 G HA2 0.124 4.084 3.960 -0.000 0.000 0.681 37 G HA3 0.124 4.084 3.960 -0.000 0.000 0.681 37 G C 0.346 175.468 174.900 0.369 0.000 1.340 37 G CA -0.201 45.005 45.100 0.177 0.000 0.884 37 G HN 0.724 nan 8.290 nan 0.000 0.650 38 V N 0.883 121.177 119.914 0.634 0.000 2.307 38 V HA -0.127 3.993 4.120 -0.000 0.000 0.245 38 V C 2.803 179.084 176.094 0.311 0.000 1.045 38 V CA 3.278 65.836 62.300 0.430 0.000 1.024 38 V CB -0.354 31.694 31.823 0.375 0.000 0.651 38 V HN 0.785 nan 8.190 nan 0.000 0.449 39 Q N 0.061 119.935 119.800 0.124 0.000 2.084 39 Q HA -0.218 4.122 4.340 -0.000 0.000 0.202 39 Q C 2.033 178.114 176.000 0.134 0.000 0.978 39 Q CA 2.111 57.929 55.803 0.025 0.000 0.844 39 Q CB -0.414 28.238 28.738 -0.145 0.000 0.898 39 Q HN 0.687 nan 8.270 nan 0.000 0.426 40 E N 0.387 120.680 120.200 0.155 0.000 2.072 40 E HA -0.103 4.247 4.350 -0.000 0.000 0.191 40 E C 1.862 178.576 176.600 0.189 0.000 0.985 40 E CA 1.227 57.712 56.400 0.141 0.000 0.801 40 E CB -0.439 29.337 29.700 0.125 0.000 0.750 40 E HN 0.396 nan 8.360 nan 0.000 0.452 41 A N 0.037 123.014 122.820 0.261 0.000 1.902 41 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 41 A C 1.814 179.605 177.584 0.344 0.000 1.181 41 A CA 1.339 53.544 52.037 0.280 0.000 0.623 41 A CB -1.000 18.166 19.000 0.277 0.000 0.818 41 A HN 0.356 nan 8.150 nan 0.000 0.443 42 W N -0.339 121.088 121.300 0.213 0.000 2.388 42 W HA 0.062 4.722 4.660 -0.001 0.000 0.294 42 W C 2.670 179.147 176.519 -0.070 0.000 1.212 42 W CA 1.241 58.650 57.345 0.107 0.000 1.271 42 W CB -0.436 29.055 29.460 0.052 0.000 1.126 42 W HN 0.354 nan 8.180 nan 0.000 0.535 43 A N 0.514 123.440 122.820 0.176 0.000 2.186 43 A HA -0.152 4.168 4.320 -0.000 0.000 0.219 43 A C 2.020 179.599 177.584 -0.008 0.000 1.159 43 A CA 1.925 53.991 52.037 0.049 0.000 0.680 43 A CB -1.302 17.719 19.000 0.036 0.000 0.787 43 A HN 0.302 nan 8.150 nan 0.000 0.467 44 V N -1.944 117.980 119.914 0.016 0.000 2.469 44 V HA -0.245 3.875 4.120 -0.000 0.000 0.251 44 V C 2.072 178.063 176.094 -0.173 0.000 1.064 44 V CA 2.076 64.375 62.300 -0.000 0.000 1.066 44 V CB -1.010 30.892 31.823 0.131 0.000 0.667 44 V HN 0.482 nan 8.190 nan 0.000 0.461 45 L N -0.065 120.978 121.223 -0.299 0.000 2.353 45 L HA -0.112 4.228 4.340 -0.000 0.000 0.220 45 L C 2.550 179.225 176.870 -0.326 0.000 1.133 45 L CA 1.565 56.118 54.840 -0.477 0.000 0.798 45 L CB -0.591 41.157 42.059 -0.518 0.000 0.922 45 L HN 0.458 nan 8.230 nan 0.000 0.445 46 Q N -0.829 118.852 119.800 -0.199 0.000 2.220 46 Q HA 0.117 4.457 4.340 -0.000 0.000 0.205 46 Q C -0.100 175.832 176.000 -0.113 0.000 0.865 46 Q CA -0.267 55.451 55.803 -0.141 0.000 0.960 46 Q CB 0.568 29.247 28.738 -0.099 0.000 1.097 46 Q HN 0.326 nan 8.270 nan 0.000 0.493 47 E N 1.002 121.128 120.200 -0.124 0.000 2.390 47 E HA -0.018 4.332 4.350 -0.000 0.000 0.261 47 E C 1.060 177.612 176.600 -0.080 0.000 1.076 47 E CA 0.258 56.611 56.400 -0.078 0.000 0.905 47 E CB 1.107 30.775 29.700 -0.054 0.000 0.984 47 E HN 0.194 nan 8.360 nan 0.000 0.427 48 S N 1.865 117.537 115.700 -0.047 0.000 2.420 48 S HA -0.284 4.186 4.470 -0.000 0.000 0.237 48 S C 1.201 175.783 174.600 -0.030 0.000 1.023 48 S CA 1.823 60.001 58.200 -0.037 0.000 0.991 48 S CB -0.533 62.654 63.200 -0.021 0.000 0.792 48 S HN 0.666 nan 8.310 nan 0.000 0.488 49 N N 0.517 119.205 118.700 -0.020 0.000 2.521 49 N HA 0.074 4.813 4.740 -0.000 0.000 0.188 49 N C -0.308 175.195 175.510 -0.011 0.000 1.146 49 N CA 0.185 53.240 53.050 0.009 0.000 0.893 49 N CB 0.003 38.522 38.487 0.053 0.000 0.975 49 N HN 0.309 nan 8.380 nan 0.000 0.451 50 V N 1.333 121.188 119.914 -0.098 0.000 2.398 50 V HA 0.401 4.521 4.120 -0.000 0.000 0.286 50 V C -2.113 173.914 176.094 -0.113 0.000 1.026 50 V CA -2.030 60.156 62.300 -0.190 0.000 0.868 50 V CB 1.057 32.592 31.823 -0.479 0.000 0.982 50 V HN 0.060 nan 8.190 nan 0.000 0.443 51 P HA 0.187 nan 4.420 nan 0.000 0.269 51 P C 0.262 177.534 177.300 -0.046 0.000 1.215 51 P CA -0.238 62.858 63.100 -0.006 0.000 0.780 51 P CB 0.720 32.467 31.700 0.077 0.000 0.898 52 D N -0.089 120.282 120.400 -0.049 0.000 2.182 52 D HA -0.086 4.554 4.640 -0.000 0.000 0.201 52 D C 0.392 176.661 176.300 -0.051 0.000 0.986 52 D CA 1.563 55.514 54.000 -0.083 0.000 0.847 52 D CB -0.132 40.593 40.800 -0.125 0.000 0.942 52 D HN 0.111 nan 8.370 nan 0.000 0.467 53 L N 0.287 121.519 121.223 0.016 0.000 2.441 53 L HA 0.357 4.697 4.340 -0.000 0.000 0.270 53 L C -0.802 176.214 176.870 0.242 0.000 0.973 53 L CA -0.867 54.041 54.840 0.114 0.000 0.842 53 L CB 1.823 43.924 42.059 0.070 0.000 1.239 53 L HN -0.140 nan 8.230 nan 0.000 0.406 54 V N 1.665 121.759 119.914 0.300 0.000 3.113 54 V HA 0.700 4.820 4.120 -0.000 0.000 0.316 54 V C -1.348 175.004 176.094 0.429 0.000 1.125 54 V CA -0.718 61.780 62.300 0.329 0.000 1.026 54 V CB 2.104 34.031 31.823 0.172 0.000 1.080 54 V HN 0.922 nan 8.190 nan 0.000 0.444 55 W N 1.661 122.959 121.300 -0.002 0.000 2.656 55 W HA 0.684 5.344 4.660 0.000 0.000 0.327 55 W C -1.036 175.341 176.519 -0.236 0.000 1.041 55 W CA -0.179 56.953 57.345 -0.356 0.000 1.229 55 W CB 2.012 31.050 29.460 -0.704 0.000 1.397 55 W HN 0.917 nan 8.180 nan 0.000 0.479 56 T N 4.602 118.620 114.554 -0.893 0.000 2.888 56 T HA 0.429 4.779 4.350 -0.000 0.000 0.284 56 T C 0.676 174.909 174.700 -0.779 0.000 1.017 56 T CA -0.481 61.261 62.100 -0.596 0.000 1.022 56 T CB 1.448 70.017 68.868 -0.498 0.000 1.013 56 T HN 0.638 nan 8.240 nan 0.000 0.465 57 R N 1.523 121.840 120.500 -0.305 0.000 2.334 57 R HA 0.260 4.600 4.340 -0.000 0.000 0.216 57 R C 0.335 176.560 176.300 -0.125 0.000 0.905 57 R CA -0.253 55.771 56.100 -0.126 0.000 1.064 57 R CB -0.175 30.144 30.300 0.032 0.000 1.046 57 R HN 0.543 nan 8.270 nan 0.000 0.508 58 C N 1.084 120.280 119.300 -0.174 0.000 2.500 58 C HA 0.158 4.618 4.460 -0.000 0.000 0.367 58 C C 0.894 175.881 174.990 -0.005 0.000 1.283 58 C CA -0.516 58.458 59.018 -0.074 0.000 2.456 58 C CB 0.289 27.987 27.740 -0.071 0.000 2.457 58 C HN 0.687 nan 8.230 nan 0.000 0.632 59 N N 0.389 119.132 118.700 0.071 0.000 2.708 59 N HA -0.159 4.581 4.740 -0.000 0.000 0.249 59 N C 0.735 176.307 175.510 0.103 0.000 1.097 59 N CA 0.891 54.023 53.050 0.136 0.000 0.710 59 N CB -1.229 37.407 38.487 0.248 0.000 1.032 59 N HN 1.413 nan 8.380 nan 0.000 0.551 60 G N -1.831 107.000 108.800 0.052 0.000 2.199 60 G HA2 0.119 4.078 3.960 -0.000 0.000 0.254 60 G HA3 0.119 4.078 3.960 -0.000 0.000 0.254 60 G C 0.523 175.440 174.900 0.028 0.000 0.982 60 G CA 0.319 45.447 45.100 0.047 0.000 0.632 60 G HN 1.609 nan 8.290 nan 0.000 0.529 61 G N -0.798 107.931 108.800 -0.118 0.000 3.338 61 G HA2 0.581 4.541 3.960 -0.000 0.000 0.686 61 G HA3 0.581 4.541 3.960 -0.000 0.000 0.686 61 G C -0.561 173.797 174.900 -0.904 0.000 1.053 61 G CA 0.508 45.312 45.100 -0.493 0.000 0.852 61 G HN 2.780 nan 8.290 nan 0.000 0.545 62 H N -1.623 116.396 119.070 -1.752 0.000 3.024 62 H HA 0.659 5.214 4.556 -0.000 0.000 0.324 62 H C -0.508 174.191 175.328 -1.048 0.000 1.347 62 H CA -1.598 53.769 56.048 -1.134 0.000 1.182 62 H CB 0.224 29.752 29.762 -0.390 0.000 1.889 62 H HN 0.636 nan 8.280 nan 0.000 0.528 63 W N 0.970 122.205 121.300 -0.108 0.000 2.129 63 W HA 0.607 5.267 4.660 -0.000 0.000 0.349 63 W C -0.267 176.314 176.519 0.104 0.000 1.279 63 W CA -0.523 56.882 57.345 0.100 0.000 1.306 63 W CB 0.760 30.379 29.460 0.265 0.000 1.140 63 W HN 0.448 nan 8.180 nan 0.000 0.613 64 I N 2.148 122.928 120.570 0.350 0.000 2.586 64 I HA 0.340 4.510 4.170 -0.000 0.000 0.288 64 I C -0.403 175.803 176.117 0.149 0.000 1.147 64 I CA -1.131 60.291 61.300 0.204 0.000 1.047 64 I CB 1.342 39.390 38.000 0.080 0.000 1.244 64 I HN 0.435 nan 8.210 nan 0.000 0.429 65 A N 3.151 126.027 122.820 0.093 0.000 2.328 65 A HA 0.546 4.865 4.320 -0.000 0.000 0.284 65 A C 0.918 178.492 177.584 -0.017 0.000 1.160 65 A CA 0.001 52.057 52.037 0.032 0.000 0.818 65 A CB 0.374 19.376 19.000 0.004 0.000 1.087 65 A HN 0.860 nan 8.150 nan 0.000 0.504 66 T N -0.362 114.157 114.554 -0.058 0.000 3.023 66 T HA 0.250 4.600 4.350 -0.000 0.000 0.253 66 T C 0.547 175.193 174.700 -0.090 0.000 1.038 66 T CA -0.118 61.928 62.100 -0.089 0.000 0.962 66 T CB 0.066 68.847 68.868 -0.144 0.000 1.018 66 T HN 0.525 nan 8.240 nan 0.000 0.521 67 R N 0.309 120.750 120.500 -0.097 0.000 2.670 67 R HA 0.591 4.931 4.340 -0.000 0.000 0.289 67 R C 1.482 177.723 176.300 -0.099 0.000 0.965 67 R CA -0.309 55.728 56.100 -0.104 0.000 0.899 67 R CB 1.197 31.418 30.300 -0.133 0.000 1.173 67 R HN 0.216 nan 8.270 nan 0.000 0.456 68 G N 1.084 109.832 108.800 -0.087 0.000 2.469 68 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.220 68 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.220 68 G C 1.067 175.906 174.900 -0.101 0.000 1.136 68 G CA 0.894 45.943 45.100 -0.084 0.000 0.759 68 G HN 0.661 nan 8.290 nan 0.000 0.562 69 Q N -0.502 119.233 119.800 -0.110 0.000 2.050 69 Q HA -0.089 4.250 4.340 -0.000 0.000 0.202 69 Q C 2.461 178.392 176.000 -0.116 0.000 0.980 69 Q CA 1.228 56.966 55.803 -0.109 0.000 0.840 69 Q CB -0.200 28.466 28.738 -0.120 0.000 0.898 69 Q HN 0.394 nan 8.270 nan 0.000 0.424 70 L N 0.422 121.539 121.223 -0.177 0.000 2.056 70 L HA -0.130 4.210 4.340 -0.000 0.000 0.207 70 L C 2.264 179.120 176.870 -0.024 0.000 1.078 70 L CA 1.292 56.046 54.840 -0.143 0.000 0.749 70 L CB -0.418 41.490 42.059 -0.252 0.000 0.901 70 L HN 0.299 nan 8.230 nan 0.000 0.433 71 I N -0.993 119.526 120.570 -0.084 0.000 2.226 71 I HA -0.312 3.857 4.170 -0.000 0.000 0.245 71 I C 2.660 178.738 176.117 -0.064 0.000 1.100 71 I CA 1.249 62.478 61.300 -0.117 0.000 1.374 71 I CB -0.293 37.688 38.000 -0.031 0.000 1.057 71 I HN 0.206 nan 8.210 nan 0.000 0.413 72 R N 0.506 120.972 120.500 -0.057 0.000 2.075 72 R HA -0.142 4.198 4.340 -0.000 0.000 0.232 72 R C 2.217 178.585 176.300 0.113 0.000 1.126 72 R CA 1.331 57.356 56.100 -0.126 0.000 0.963 72 R CB -0.278 29.781 30.300 -0.402 0.000 0.858 72 R HN 0.447 nan 8.270 nan 0.000 0.435 73 E N 0.532 120.795 120.200 0.106 0.000 2.051 73 E HA -0.185 4.165 4.350 -0.000 0.000 0.192 73 E C 2.062 178.758 176.600 0.160 0.000 0.991 73 E CA 1.231 57.764 56.400 0.221 0.000 0.799 73 E CB -0.120 29.802 29.700 0.370 0.000 0.748 73 E HN 0.342 nan 8.360 nan 0.000 0.449 74 A N 0.596 123.363 122.820 -0.087 0.000 1.933 74 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 74 A C 1.832 179.247 177.584 -0.281 0.000 1.175 74 A CA 1.282 52.923 52.037 -0.660 0.000 0.628 74 A CB -0.708 17.599 19.000 -1.156 0.000 0.814 74 A HN 0.253 nan 8.150 nan 0.000 0.444 75 Y N 0.305 120.611 120.300 0.011 0.000 2.293 75 Y HA -0.094 4.456 4.550 -0.000 0.000 0.291 75 Y C 2.407 178.443 175.900 0.227 0.000 1.137 75 Y CA 1.305 59.492 58.100 0.146 0.000 1.202 75 Y CB -0.321 38.261 38.460 0.203 0.000 0.990 75 Y HN 0.474 nan 8.280 nan 0.000 0.537 76 E N -0.665 119.764 120.200 0.381 0.000 2.112 76 E HA -0.162 4.188 4.350 -0.000 0.000 0.190 76 E C 0.688 177.430 176.600 0.237 0.000 0.979 76 E CA 0.965 57.543 56.400 0.296 0.000 0.814 76 E CB -0.098 29.760 29.700 0.264 0.000 0.762 76 E HN 0.190 nan 8.360 nan 0.000 0.460 77 D N 0.607 121.139 120.400 0.221 0.000 2.948 77 D HA -0.078 4.562 4.640 -0.000 0.000 0.241 77 D C 0.818 177.187 176.300 0.116 0.000 1.198 77 D CA -0.137 53.957 54.000 0.157 0.000 0.926 77 D CB -0.477 40.471 40.800 0.246 0.000 1.151 77 D HN 0.265 nan 8.370 nan 0.000 0.441 78 Y N -0.800 119.587 120.300 0.146 0.000 2.365 78 Y HA -0.143 4.407 4.550 -0.000 0.000 0.287 78 Y C 2.029 177.918 175.900 -0.019 0.000 1.162 78 Y CA 0.667 58.830 58.100 0.105 0.000 1.260 78 Y CB -0.616 37.909 38.460 0.108 0.000 0.976 78 Y HN -0.046 nan 8.280 nan 0.000 0.548 79 R N -0.101 120.170 120.500 -0.382 0.000 2.081 79 R HA -0.111 4.229 4.340 -0.000 0.000 0.235 79 R C 1.657 177.620 176.300 -0.562 0.000 1.131 79 R CA 2.308 58.132 56.100 -0.459 0.000 0.960 79 R CB -0.462 29.430 30.300 -0.680 0.000 0.856 79 R HN 0.653 nan 8.270 nan 0.000 0.436 80 H N -2.874 115.942 119.070 -0.423 0.000 2.451 80 H HA 0.190 4.746 4.556 -0.001 0.000 0.294 80 H C -0.318 174.588 175.328 -0.704 0.000 1.028 80 H CA 0.406 56.014 56.048 -0.734 0.000 1.349 80 H CB 0.367 29.284 29.762 -1.407 0.000 1.444 80 H HN -0.019 nan 8.280 nan 0.000 0.538 81 F N 1.193 121.110 119.950 -0.055 0.000 2.308 81 F HA 0.313 4.840 4.527 -0.000 0.000 0.370 81 F C 0.330 176.140 175.800 0.017 0.000 1.100 81 F CA -0.747 57.228 58.000 -0.042 0.000 1.108 81 F CB 1.202 40.140 39.000 -0.104 0.000 1.293 81 F HN -0.088 nan 8.300 nan 0.000 0.478 82 S N 1.184 116.961 115.700 0.128 0.000 2.585 82 S HA 0.290 4.759 4.470 -0.000 0.000 0.277 82 S C 0.986 175.624 174.600 0.063 0.000 1.241 82 S CA -0.573 57.687 58.200 0.100 0.000 1.041 82 S CB 1.188 64.416 63.200 0.047 0.000 0.987 82 S HN 0.518 nan 8.310 nan 0.000 0.512 83 S N 2.675 118.399 115.700 0.040 0.000 2.603 83 S HA 0.001 4.471 4.470 -0.000 0.000 0.220 83 S C 1.628 176.175 174.600 -0.088 0.000 0.967 83 S CA 0.192 58.347 58.200 -0.073 0.000 0.920 83 S CB -0.237 62.860 63.200 -0.172 0.000 0.773 83 S HN 0.869 nan 8.310 nan 0.000 0.529 84 E N 0.485 120.663 120.200 -0.036 0.000 2.130 84 E HA -0.220 4.130 4.350 -0.000 0.000 0.196 84 E C 0.240 176.798 176.600 -0.071 0.000 0.998 84 E CA 0.893 57.269 56.400 -0.040 0.000 0.806 84 E CB 0.031 29.721 29.700 -0.016 0.000 0.738 84 E HN 0.432 nan 8.360 nan 0.000 0.459 85 C N 1.753 121.002 119.300 -0.085 0.000 2.814 85 C HA 0.429 4.888 4.460 -0.000 0.000 0.269 85 C C -2.058 172.832 174.990 -0.168 0.000 1.090 85 C CA -1.438 57.512 59.018 -0.114 0.000 1.492 85 C CB 1.206 28.905 27.740 -0.069 0.000 1.825 85 C HN 0.281 nan 8.230 nan 0.000 0.442 86 P HA 0.215 nan 4.420 nan 0.000 0.264 86 P C -0.165 176.764 177.300 -0.618 0.000 1.259 86 P CA 0.346 63.127 63.100 -0.531 0.000 0.841 86 P CB 0.331 31.545 31.700 -0.809 0.000 1.232 87 F N 0.046 119.928 119.950 -0.113 0.000 2.561 87 F HA 0.476 5.003 4.527 -0.000 0.000 0.321 87 F C 0.699 176.391 175.800 -0.181 0.000 1.065 87 F CA -1.426 56.496 58.000 -0.129 0.000 0.934 87 F CB 1.388 40.292 39.000 -0.160 0.000 1.215 87 F HN -0.362 nan 8.300 nan 0.000 0.471 88 I N 4.214 124.820 120.570 0.060 0.000 2.441 88 I HA 0.368 4.538 4.170 -0.000 0.000 0.295 88 I C -2.211 173.941 176.117 0.059 0.000 0.994 88 I CA -2.055 59.207 61.300 -0.063 0.000 1.144 88 I CB 2.167 39.999 38.000 -0.278 0.000 1.314 88 I HN 0.326 nan 8.210 nan 0.000 0.445 89 P HA 0.185 nan 4.420 nan 0.000 0.276 89 P C 0.350 177.499 177.300 -0.251 0.000 1.244 89 P CA -0.522 62.514 63.100 -0.108 0.000 0.801 89 P CB 1.145 32.822 31.700 -0.039 0.000 1.006 90 R N 1.008 121.411 120.500 -0.162 0.000 2.134 90 R HA -0.253 4.087 4.340 -0.000 0.000 0.248 90 R C 1.662 177.815 176.300 -0.245 0.000 1.143 90 R CA 2.364 58.372 56.100 -0.153 0.000 0.957 90 R CB -0.378 29.883 30.300 -0.064 0.000 0.867 90 R HN 0.446 nan 8.270 nan 0.000 0.441 91 E N -0.027 119.987 120.200 -0.310 0.000 2.160 91 E HA -0.156 4.194 4.350 -0.000 0.000 0.195 91 E C 1.793 178.013 176.600 -0.634 0.000 0.991 91 E CA 1.432 57.621 56.400 -0.351 0.000 0.810 91 E CB -0.237 29.323 29.700 -0.234 0.000 0.742 91 E HN 0.520 nan 8.360 nan 0.000 0.466 92 A N 0.699 122.850 122.820 -1.115 0.000 1.872 92 A HA 0.024 4.344 4.320 -0.000 0.000 0.214 92 A C 2.481 179.595 177.584 -0.784 0.000 1.187 92 A CA 1.501 52.810 52.037 -1.215 0.000 0.614 92 A CB -1.178 17.145 19.000 -1.128 0.000 0.826 92 A HN 0.351 nan 8.150 nan 0.000 0.442 93 G N -0.608 107.930 108.800 -0.437 0.000 2.448 93 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.219 93 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.219 93 G C 1.400 176.163 174.900 -0.228 0.000 1.127 93 G CA 0.945 45.901 45.100 -0.240 0.000 0.766 93 G HN 0.653 nan 8.290 nan 0.000 0.552 94 E N 0.369 120.427 120.200 -0.236 0.000 2.046 94 E HA 0.043 4.393 4.350 -0.000 0.000 0.190 94 E C 2.862 179.398 176.600 -0.106 0.000 0.982 94 E CA 0.671 56.987 56.400 -0.139 0.000 0.800 94 E CB -0.108 29.532 29.700 -0.099 0.000 0.756 94 E HN 0.387 nan 8.360 nan 0.000 0.449 95 A N 1.242 123.976 122.820 -0.143 0.000 2.119 95 A HA -0.087 4.233 4.320 -0.000 0.000 0.217 95 A C 0.498 178.161 177.584 0.132 0.000 1.153 95 A CA 0.505 52.551 52.037 0.015 0.000 0.692 95 A CB -0.564 18.507 19.000 0.120 0.000 0.799 95 A HN 0.305 nan 8.150 nan 0.000 0.458 96 Y N -0.586 119.626 120.300 -0.146 0.000 2.313 96 Y HA 0.556 5.106 4.550 -0.000 0.000 0.332 96 Y C -0.223 175.559 175.900 -0.196 0.000 1.071 96 Y CA -1.946 55.991 58.100 -0.273 0.000 1.169 96 Y CB 0.552 38.612 38.460 -0.668 0.000 1.192 96 Y HN 0.207 nan 8.280 nan 0.000 0.487 97 D N 0.828 121.189 120.400 -0.065 0.000 2.651 97 D HA 0.141 4.781 4.640 -0.000 0.000 0.280 97 D C -0.878 175.490 176.300 0.112 0.000 1.496 97 D CA -0.480 53.534 54.000 0.023 0.000 0.792 97 D CB -0.739 40.100 40.800 0.065 0.000 1.144 97 D HN 0.252 nan 8.370 nan 0.000 0.470 98 F N 1.114 121.190 119.950 0.209 0.000 2.496 98 F HA 0.350 4.877 4.527 -0.000 0.000 0.344 98 F C 1.137 176.982 175.800 0.075 0.000 1.155 98 F CA -0.642 57.456 58.000 0.164 0.000 1.302 98 F CB 0.418 39.530 39.000 0.187 0.000 1.159 98 F HN -0.128 nan 8.300 nan 0.000 0.595 99 I N 3.532 124.253 120.570 0.253 0.000 2.474 99 I HA 0.257 4.427 4.170 -0.000 0.000 0.294 99 I C -1.877 174.319 176.117 0.132 0.000 1.005 99 I CA -1.860 59.482 61.300 0.071 0.000 1.113 99 I CB 2.336 40.254 38.000 -0.136 0.000 1.289 99 I HN 0.340 nan 8.210 nan 0.000 0.436 100 P HA 0.020 nan 4.420 nan 0.000 0.257 100 P C 1.253 178.689 177.300 0.227 0.000 1.281 100 P CA 0.268 63.457 63.100 0.148 0.000 0.826 100 P CB -0.086 31.724 31.700 0.183 0.000 1.237 101 T N -2.661 112.012 114.554 0.197 0.000 2.833 101 T HA -0.132 4.218 4.350 -0.000 0.000 0.269 101 T C 1.621 176.301 174.700 -0.033 0.000 1.054 101 T CA 1.631 63.780 62.100 0.082 0.000 1.135 101 T CB -1.169 67.764 68.868 0.109 0.000 0.869 101 T HN 0.207 nan 8.240 nan 0.000 0.466 102 S N 0.335 116.060 115.700 0.042 0.000 2.660 102 S HA 0.458 4.928 4.470 -0.000 0.000 0.227 102 S C 0.270 174.872 174.600 0.004 0.000 0.948 102 S CA -0.788 57.405 58.200 -0.012 0.000 0.948 102 S CB -0.723 62.481 63.200 0.007 0.000 0.779 102 S HN 0.501 nan 8.310 nan 0.000 0.487 103 M N 1.483 121.120 119.600 0.061 0.000 2.602 103 M HA 0.525 5.005 4.480 -0.000 0.000 0.312 103 M C -1.109 175.288 176.300 0.162 0.000 1.181 103 M CA -0.652 54.691 55.300 0.072 0.000 0.910 103 M CB 1.768 34.384 32.600 0.027 0.000 1.723 103 M HN 0.028 nan 8.290 nan 0.000 0.459 104 D N 1.648 122.092 120.400 0.073 0.000 2.272 104 D HA 0.516 5.156 4.640 -0.000 0.000 0.247 104 D C -2.495 173.713 176.300 -0.154 0.000 0.990 104 D CA -1.178 52.822 54.000 0.000 0.000 0.931 104 D CB 1.526 42.348 40.800 0.036 0.000 1.195 104 D HN 0.173 nan 8.370 nan 0.000 0.477 105 P HA 0.156 nan 4.420 nan 0.000 0.272 105 P C -1.913 175.233 177.300 -0.258 0.000 1.223 105 P CA -0.908 61.949 63.100 -0.405 0.000 0.784 105 P CB 0.144 31.446 31.700 -0.663 0.000 0.923 106 P HA 0.013 nan 4.420 nan 0.000 0.240 106 P C 1.233 178.513 177.300 -0.033 0.000 1.190 106 P CA 0.668 63.720 63.100 -0.079 0.000 0.781 106 P CB 0.151 31.833 31.700 -0.029 0.000 0.931 107 E N 0.667 120.870 120.200 0.005 0.000 2.077 107 E HA -0.243 4.107 4.350 -0.000 0.000 0.193 107 E C 2.112 178.821 176.600 0.182 0.000 0.989 107 E CA 0.824 57.282 56.400 0.098 0.000 0.800 107 E CB -0.234 29.526 29.700 0.099 0.000 0.746 107 E HN 0.078 nan 8.360 nan 0.000 0.452 108 Q N 1.416 121.264 119.800 0.080 0.000 2.077 108 Q HA -0.291 4.049 4.340 -0.000 0.000 0.206 108 Q C 2.304 178.355 176.000 0.086 0.000 0.989 108 Q CA 2.019 57.870 55.803 0.080 0.000 0.853 108 Q CB -0.394 28.290 28.738 -0.089 0.000 0.907 108 Q HN 0.276 nan 8.270 nan 0.000 0.418 109 R N -0.283 120.213 120.500 -0.006 0.000 2.119 109 R HA -0.210 4.129 4.340 -0.000 0.000 0.246 109 R C 2.226 178.511 176.300 -0.025 0.000 1.146 109 R CA 1.944 58.023 56.100 -0.034 0.000 0.962 109 R CB -0.083 30.182 30.300 -0.058 0.000 0.863 109 R HN 0.369 nan 8.270 nan 0.000 0.442 110 Q N -0.418 119.357 119.800 -0.042 0.000 2.049 110 Q HA -0.125 4.215 4.340 -0.000 0.000 0.198 110 Q C 2.125 177.989 176.000 -0.227 0.000 0.971 110 Q CA 1.590 57.278 55.803 -0.191 0.000 0.833 110 Q CB -0.269 28.259 28.738 -0.350 0.000 0.896 110 Q HN 0.380 nan 8.270 nan 0.000 0.434 111 F N 0.729 120.674 119.950 -0.008 0.000 2.171 111 F HA -0.145 4.382 4.527 -0.001 0.000 0.300 111 F C 2.642 178.446 175.800 0.006 0.000 1.090 111 F CA 1.153 59.158 58.000 0.009 0.000 1.293 111 F CB -0.330 38.687 39.000 0.028 0.000 1.013 111 F HN 0.057 nan 8.300 nan 0.000 0.486 112 R N 0.778 121.366 120.500 0.147 0.000 2.073 112 R HA -0.153 4.186 4.340 -0.000 0.000 0.234 112 R C 2.398 178.718 176.300 0.032 0.000 1.134 112 R CA 1.359 57.502 56.100 0.072 0.000 0.952 112 R CB -0.561 29.747 30.300 0.014 0.000 0.850 112 R HN 0.235 nan 8.270 nan 0.000 0.433 113 A N 1.066 123.886 122.820 -0.001 0.000 1.917 113 A HA -0.198 4.122 4.320 -0.000 0.000 0.219 113 A C 2.041 179.614 177.584 -0.018 0.000 1.182 113 A CA 1.490 53.513 52.037 -0.024 0.000 0.633 113 A CB -0.610 18.360 19.000 -0.051 0.000 0.819 113 A HN 0.413 nan 8.150 nan 0.000 0.448 114 L N -0.570 120.644 121.223 -0.015 0.000 2.044 114 L HA 0.062 4.402 4.340 -0.000 0.000 0.205 114 L C 2.687 179.574 176.870 0.028 0.000 1.075 114 L CA 2.073 56.912 54.840 -0.003 0.000 0.747 114 L CB -0.746 41.308 42.059 -0.009 0.000 0.903 114 L HN 0.316 nan 8.230 nan 0.000 0.435 115 A N -0.530 122.325 122.820 0.058 0.000 1.972 115 A HA -0.256 4.064 4.320 -0.000 0.000 0.219 115 A C 2.143 179.753 177.584 0.045 0.000 1.169 115 A CA 1.799 53.875 52.037 0.066 0.000 0.635 115 A CB -0.962 18.093 19.000 0.091 0.000 0.810 115 A HN 0.608 nan 8.150 nan 0.000 0.446 116 N N -0.239 118.479 118.700 0.030 0.000 2.188 116 N HA -0.161 4.579 4.740 -0.000 0.000 0.184 116 N C 1.843 177.355 175.510 0.004 0.000 1.018 116 N CA 1.695 54.756 53.050 0.018 0.000 0.858 116 N CB -0.326 38.165 38.487 0.007 0.000 0.989 116 N HN 0.630 nan 8.380 nan 0.000 0.426 117 Q N -0.483 119.317 119.800 -0.000 0.000 2.135 117 Q HA -0.128 4.212 4.340 -0.000 0.000 0.204 117 Q C 2.036 178.031 176.000 -0.007 0.000 0.981 117 Q CA 1.884 57.681 55.803 -0.010 0.000 0.856 117 Q CB -0.049 28.682 28.738 -0.013 0.000 0.902 117 Q HN 0.505 nan 8.270 nan 0.000 0.425 118 V N -2.366 117.550 119.914 0.005 0.000 2.488 118 V HA -0.063 4.057 4.120 -0.000 0.000 0.246 118 V C 1.898 177.997 176.094 0.009 0.000 1.046 118 V CA 1.346 63.648 62.300 0.004 0.000 1.053 118 V CB -0.299 31.530 31.823 0.011 0.000 0.679 118 V HN 0.296 nan 8.190 nan 0.000 0.458 119 V N -1.440 118.490 119.914 0.027 0.000 3.570 119 V HA 0.599 4.719 4.120 -0.000 0.000 0.257 119 V C 1.574 177.689 176.094 0.034 0.000 1.272 119 V CA 0.334 62.658 62.300 0.040 0.000 1.079 119 V CB -0.958 30.907 31.823 0.069 0.000 0.829 119 V HN 0.573 nan 8.190 nan 0.000 0.454 120 G N -0.014 108.797 108.800 0.019 0.000 2.785 120 G HA2 0.125 4.084 3.960 -0.000 0.000 0.256 120 G HA3 0.125 4.084 3.960 -0.000 0.000 0.256 120 G C 0.749 175.614 174.900 -0.058 0.000 1.248 120 G CA 0.461 45.557 45.100 -0.005 0.000 0.914 120 G HN 0.268 nan 8.290 nan 0.000 0.580 121 M N 0.699 120.184 119.600 -0.191 0.000 2.151 121 M HA -0.172 4.308 4.480 -0.000 0.000 0.256 121 M C 0.094 176.326 176.300 -0.113 0.000 1.072 121 M CA 2.712 57.868 55.300 -0.239 0.000 1.090 121 M CB -1.171 31.218 32.600 -0.351 0.000 1.294 121 M HN 0.341 nan 8.290 nan 0.000 0.415 122 P HA -0.107 nan 4.420 nan 0.000 0.219 122 P C 1.504 178.779 177.300 -0.041 0.000 1.146 122 P CA 1.132 64.197 63.100 -0.059 0.000 0.808 122 P CB -0.072 31.596 31.700 -0.053 0.000 0.779 123 V N -0.686 119.206 119.914 -0.037 0.000 2.379 123 V HA -0.163 3.956 4.120 -0.000 0.000 0.245 123 V C 2.425 178.508 176.094 -0.018 0.000 1.044 123 V CA 1.537 63.822 62.300 -0.026 0.000 1.036 123 V CB -1.020 30.789 31.823 -0.022 0.000 0.664 123 V HN -0.042 nan 8.190 nan 0.000 0.453 124 V N 0.254 120.161 119.914 -0.013 0.000 2.343 124 V HA -0.263 3.856 4.120 -0.000 0.000 0.247 124 V C 2.266 178.361 176.094 0.002 0.000 1.051 124 V CA 2.167 64.469 62.300 0.003 0.000 1.036 124 V CB -0.804 31.032 31.823 0.022 0.000 0.654 124 V HN 0.523 nan 8.190 nan 0.000 0.451 125 D N -0.045 120.348 120.400 -0.010 0.000 2.123 125 D HA -0.181 4.459 4.640 -0.000 0.000 0.196 125 D C 2.169 178.466 176.300 -0.005 0.000 0.992 125 D CA 1.392 55.387 54.000 -0.008 0.000 0.833 125 D CB -0.233 40.555 40.800 -0.021 0.000 0.954 125 D HN 0.411 nan 8.370 nan 0.000 0.455 126 K N 0.225 120.619 120.400 -0.011 0.000 2.103 126 K HA -0.001 4.318 4.320 -0.000 0.000 0.204 126 K C 1.902 178.498 176.600 -0.006 0.000 1.052 126 K CA 0.511 56.792 56.287 -0.011 0.000 0.945 126 K CB -0.028 32.462 32.500 -0.018 0.000 0.722 126 K HN 0.143 nan 8.250 nan 0.000 0.443 127 L N 0.776 121.996 121.223 -0.005 0.000 2.599 127 L HA 0.006 4.346 4.340 -0.000 0.000 0.230 127 L C 2.132 179.012 176.870 0.017 0.000 1.141 127 L CA 0.131 54.970 54.840 -0.002 0.000 0.877 127 L CB -0.085 41.965 42.059 -0.014 0.000 1.009 127 L HN 0.280 nan 8.230 nan 0.000 0.447 128 E N 1.010 121.224 120.200 0.024 0.000 2.049 128 E HA -0.267 4.083 4.350 -0.000 0.000 0.198 128 E C 1.585 178.218 176.600 0.055 0.000 1.007 128 E CA 1.887 58.313 56.400 0.044 0.000 0.809 128 E CB -0.016 29.709 29.700 0.040 0.000 0.749 128 E HN 0.642 nan 8.360 nan 0.000 0.450 129 N N -0.165 118.560 118.700 0.041 0.000 2.149 129 N HA -0.156 4.584 4.740 -0.000 0.000 0.188 129 N C 1.844 177.386 175.510 0.053 0.000 1.019 129 N CA 0.762 53.838 53.050 0.043 0.000 0.857 129 N CB 0.004 38.508 38.487 0.029 0.000 0.997 129 N HN 0.021 nan 8.380 nan 0.000 0.426 130 R N 0.971 121.497 120.500 0.044 0.000 2.092 130 R HA 0.009 4.349 4.340 -0.000 0.000 0.231 130 R C 2.111 178.463 176.300 0.087 0.000 1.119 130 R CA 0.718 56.846 56.100 0.047 0.000 0.970 130 R CB -0.907 29.404 30.300 0.019 0.000 0.864 130 R HN 0.387 nan 8.270 nan 0.000 0.440 131 I N 0.951 121.580 120.570 0.098 0.000 2.179 131 I HA -0.309 3.860 4.170 -0.000 0.000 0.242 131 I C 2.671 178.970 176.117 0.303 0.000 1.088 131 I CA 1.397 62.811 61.300 0.190 0.000 1.357 131 I CB -0.258 37.835 38.000 0.155 0.000 1.051 131 I HN 0.118 nan 8.210 nan 0.000 0.409 132 Q N 1.191 121.104 119.800 0.189 0.000 2.084 132 Q HA -0.267 4.072 4.340 -0.000 0.000 0.202 132 Q C 2.045 178.120 176.000 0.125 0.000 0.978 132 Q CA 1.952 57.842 55.803 0.146 0.000 0.844 132 Q CB -0.194 28.602 28.738 0.098 0.000 0.898 132 Q HN 0.476 nan 8.270 nan 0.000 0.426 133 E N -0.619 119.647 120.200 0.110 0.000 2.031 133 E HA -0.217 4.132 4.350 -0.000 0.000 0.193 133 E C 1.890 178.556 176.600 0.110 0.000 0.994 133 E CA 1.342 57.795 56.400 0.087 0.000 0.800 133 E CB -0.226 29.513 29.700 0.065 0.000 0.752 133 E HN 0.421 nan 8.360 nan 0.000 0.447 134 L N 0.800 122.120 121.223 0.162 0.000 2.093 134 L HA -0.061 4.278 4.340 -0.000 0.000 0.208 134 L C 2.243 179.245 176.870 0.219 0.000 1.085 134 L CA 2.053 57.010 54.840 0.195 0.000 0.755 134 L CB -0.622 41.562 42.059 0.209 0.000 0.904 134 L HN 0.203 nan 8.230 nan 0.000 0.435 135 A N -1.144 121.813 122.820 0.230 0.000 1.858 135 A HA -0.252 4.068 4.320 -0.000 0.000 0.216 135 A C 2.405 180.034 177.584 0.075 0.000 1.190 135 A CA 1.914 53.959 52.037 0.013 0.000 0.617 135 A CB -1.522 17.419 19.000 -0.098 0.000 0.827 135 A HN 0.606 nan 8.150 nan 0.000 0.443 136 C N -1.069 118.264 119.300 0.055 0.000 2.413 136 C HA -0.097 4.363 4.460 -0.000 0.000 0.276 136 C C 3.349 178.351 174.990 0.021 0.000 1.236 136 C CA 1.526 60.555 59.018 0.019 0.000 1.735 136 C CB -1.212 26.540 27.740 0.020 0.000 2.031 136 C HN 0.710 nan 8.230 nan 0.000 0.474 137 S N 0.025 115.755 115.700 0.048 0.000 2.356 137 S HA -0.140 4.330 4.470 -0.000 0.000 0.223 137 S C 1.758 176.391 174.600 0.055 0.000 1.032 137 S CA 1.349 59.576 58.200 0.046 0.000 1.005 137 S CB -0.303 62.929 63.200 0.054 0.000 0.867 137 S HN 0.414 nan 8.310 nan 0.000 0.449 138 L N 1.398 122.678 121.223 0.096 0.000 2.056 138 L HA 0.156 4.495 4.340 -0.000 0.000 0.207 138 L C 2.172 179.121 176.870 0.131 0.000 1.078 138 L CA 1.534 56.457 54.840 0.139 0.000 0.749 138 L CB -0.772 41.394 42.059 0.178 0.000 0.901 138 L HN 0.406 nan 8.230 nan 0.000 0.433 139 I N -0.981 119.637 120.570 0.080 0.000 2.163 139 I HA -0.258 3.912 4.170 -0.000 0.000 0.240 139 I C 2.443 178.463 176.117 -0.162 0.000 1.081 139 I CA 1.178 62.396 61.300 -0.137 0.000 1.353 139 I CB -0.303 37.539 38.000 -0.262 0.000 1.054 139 I HN 0.234 nan 8.210 nan 0.000 0.407 140 E N 0.821 120.964 120.200 -0.095 0.000 2.118 140 E HA -0.256 4.094 4.350 -0.000 0.000 0.195 140 E C 2.215 178.798 176.600 -0.028 0.000 0.992 140 E CA 1.808 58.164 56.400 -0.073 0.000 0.804 140 E CB -0.294 29.381 29.700 -0.043 0.000 0.741 140 E HN 0.307 nan 8.360 nan 0.000 0.458 141 S N -1.176 114.526 115.700 0.003 0.000 2.402 141 S HA -0.038 4.432 4.470 -0.000 0.000 0.229 141 S C 1.806 176.440 174.600 0.056 0.000 1.021 141 S CA 1.011 59.230 58.200 0.032 0.000 0.974 141 S CB -0.148 63.078 63.200 0.045 0.000 0.800 141 S HN 0.358 nan 8.310 nan 0.000 0.484 142 L N 0.483 121.746 121.223 0.067 0.000 2.168 142 L HA 0.178 4.518 4.340 -0.000 0.000 0.203 142 L C 2.747 179.771 176.870 0.257 0.000 1.078 142 L CA 0.691 55.628 54.840 0.163 0.000 0.780 142 L CB -0.615 41.563 42.059 0.198 0.000 0.939 142 L HN 0.256 nan 8.230 nan 0.000 0.451 143 R N 0.893 121.454 120.500 0.102 0.000 2.191 143 R HA -0.230 4.110 4.340 -0.000 0.000 0.248 143 R C -0.617 175.872 176.300 0.316 0.000 1.127 143 R CA 2.674 58.854 56.100 0.133 0.000 0.943 143 R CB -1.401 28.842 30.300 -0.095 0.000 0.891 143 R HN 0.256 nan 8.270 nan 0.000 0.439 144 P HA -0.085 nan 4.420 nan 0.000 0.233 144 P C 0.451 177.775 177.300 0.039 0.000 1.167 144 P CA 1.250 64.405 63.100 0.092 0.000 0.770 144 P CB -0.021 31.706 31.700 0.044 0.000 0.837 145 Q N -0.626 119.190 119.800 0.028 0.000 2.245 145 Q HA 0.112 4.451 4.340 -0.000 0.000 0.201 145 Q C 1.544 177.343 176.000 -0.334 0.000 0.955 145 Q CA 0.851 56.595 55.803 -0.099 0.000 0.870 145 Q CB -0.499 28.209 28.738 -0.051 0.000 0.945 145 Q HN 0.245 nan 8.270 nan 0.000 0.461 146 G N 1.753 110.158 108.800 -0.657 0.000 2.168 146 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.257 146 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.257 146 G C -0.142 173.856 174.900 -1.505 0.000 0.997 146 G CA 0.783 45.052 45.100 -1.386 0.000 0.708 146 G HN 0.447 nan 8.290 nan 0.000 0.520 147 Q N -1.693 117.319 119.800 -1.312 0.000 2.599 147 Q HA 0.514 4.854 4.340 -0.000 0.000 0.248 147 Q C -0.256 175.629 176.000 -0.192 0.000 0.964 147 Q CA -0.630 54.773 55.803 -0.668 0.000 1.011 147 Q CB 0.572 29.117 28.738 -0.322 0.000 1.592 147 Q HN 1.169 nan 8.270 nan 0.000 0.443 148 C N -0.206 119.163 119.300 0.116 0.000 3.308 148 C HA 0.683 5.143 4.460 -0.000 0.000 0.360 148 C C -0.282 174.826 174.990 0.198 0.000 1.695 148 C CA -0.655 58.495 59.018 0.220 0.000 1.366 148 C CB 1.213 29.196 27.740 0.405 0.000 2.121 148 C HN 1.086 nan 8.230 nan 0.000 0.442 149 N N -0.202 118.606 118.700 0.179 0.000 3.228 149 N HA 0.205 4.945 4.740 -0.000 0.000 0.289 149 N C 0.463 176.087 175.510 0.189 0.000 1.419 149 N CA -0.405 52.736 53.050 0.152 0.000 1.088 149 N CB -0.001 38.541 38.487 0.092 0.000 1.357 149 N HN 0.662 nan 8.380 nan 0.000 0.504 150 F N 1.502 121.511 119.950 0.099 0.000 2.127 150 F HA -0.386 4.141 4.527 -0.000 0.000 0.299 150 F C 2.590 178.425 175.800 0.059 0.000 1.068 150 F CA 2.480 60.518 58.000 0.064 0.000 1.263 150 F CB -0.349 38.604 39.000 -0.079 0.000 1.016 150 F HN 0.397 nan 8.300 nan 0.000 0.491 151 T N -1.469 113.169 114.554 0.139 0.000 2.674 151 T HA -0.273 4.076 4.350 -0.000 0.000 0.265 151 T C 1.812 176.493 174.700 -0.031 0.000 1.039 151 T CA 1.513 63.638 62.100 0.042 0.000 1.150 151 T CB -0.912 67.982 68.868 0.044 0.000 0.864 151 T HN 0.693 nan 8.240 nan 0.000 0.427 152 E N 1.069 121.268 120.200 -0.001 0.000 2.158 152 E HA -0.121 4.228 4.350 -0.000 0.000 0.191 152 E C 1.544 178.129 176.600 -0.024 0.000 0.982 152 E CA 1.203 57.597 56.400 -0.009 0.000 0.823 152 E CB -0.294 29.412 29.700 0.011 0.000 0.766 152 E HN 0.464 nan 8.360 nan 0.000 0.468 153 D N -0.645 119.746 120.400 -0.015 0.000 2.234 153 D HA -0.060 4.580 4.640 -0.000 0.000 0.205 153 D C 1.020 177.311 176.300 -0.015 0.000 0.962 153 D CA 1.038 55.048 54.000 0.017 0.000 0.855 153 D CB 0.104 40.967 40.800 0.105 0.000 0.951 153 D HN 0.314 nan 8.370 nan 0.000 0.500 154 Y N -0.181 119.905 120.300 -0.356 0.000 2.965 154 Y HA 0.356 4.906 4.550 -0.000 0.000 0.242 154 Y C 1.996 177.663 175.900 -0.388 0.000 1.078 154 Y CA 0.551 58.393 58.100 -0.430 0.000 1.288 154 Y CB -0.213 37.794 38.460 -0.754 0.000 1.459 154 Y HN -0.144 nan 8.280 nan 0.000 0.438 155 A N 0.868 123.384 122.820 -0.507 0.000 1.986 155 A HA -0.205 4.115 4.320 -0.000 0.000 0.220 155 A C 1.790 179.320 177.584 -0.091 0.000 1.171 155 A CA 2.375 54.314 52.037 -0.164 0.000 0.640 155 A CB -0.568 18.440 19.000 0.013 0.000 0.811 155 A HN 0.697 nan 8.150 nan 0.000 0.451 156 E N -0.775 119.355 120.200 -0.117 0.000 2.030 156 E HA -0.071 4.279 4.350 -0.000 0.000 0.189 156 E C -0.555 175.990 176.600 -0.091 0.000 0.974 156 E CA 0.678 57.031 56.400 -0.080 0.000 0.807 156 E CB -0.634 29.033 29.700 -0.055 0.000 0.771 156 E HN 0.453 nan 8.360 nan 0.000 0.451 157 P HA -0.214 nan 4.420 nan 0.000 0.215 157 P C 1.372 178.608 177.300 -0.106 0.000 1.157 157 P CA 1.202 64.249 63.100 -0.090 0.000 0.874 157 P CB -0.145 31.508 31.700 -0.078 0.000 0.790 158 F N 2.347 122.073 119.950 -0.372 0.000 2.000 158 F HA -0.143 4.384 4.527 -0.000 0.000 0.296 158 F C -0.811 174.883 175.800 -0.177 0.000 1.159 158 F CA 2.166 59.925 58.000 -0.402 0.000 1.183 158 F CB -2.076 36.421 39.000 -0.839 0.000 0.959 158 F HN -0.016 nan 8.300 nan 0.000 0.490 159 P HA -0.112 nan 4.420 nan 0.000 0.217 159 P C 2.052 179.241 177.300 -0.185 0.000 1.150 159 P CA 1.924 64.810 63.100 -0.357 0.000 0.832 159 P CB -0.090 31.532 31.700 -0.130 0.000 0.787 160 I N -0.821 119.679 120.570 -0.117 0.000 2.202 160 I HA -0.210 3.960 4.170 -0.000 0.000 0.242 160 I C 2.489 178.607 176.117 0.003 0.000 1.091 160 I CA 1.412 62.692 61.300 -0.033 0.000 1.368 160 I CB -0.436 37.543 38.000 -0.035 0.000 1.058 160 I HN -0.151 nan 8.210 nan 0.000 0.410 161 R N 0.629 121.098 120.500 -0.052 0.000 2.120 161 R HA -0.100 4.240 4.340 -0.000 0.000 0.234 161 R C 2.291 178.556 176.300 -0.059 0.000 1.123 161 R CA 1.272 57.348 56.100 -0.040 0.000 0.975 161 R CB -0.317 29.961 30.300 -0.037 0.000 0.866 161 R HN 0.379 nan 8.270 nan 0.000 0.446 162 I N -0.167 120.332 120.570 -0.119 0.000 2.315 162 I HA -0.265 3.905 4.170 -0.000 0.000 0.248 162 I C 2.107 178.190 176.117 -0.056 0.000 1.117 162 I CA 1.114 62.340 61.300 -0.125 0.000 1.404 162 I CB -0.176 37.673 38.000 -0.252 0.000 1.071 162 I HN 0.080 nan 8.210 nan 0.000 0.419 163 F N 1.221 121.097 119.950 -0.124 0.000 2.128 163 F HA -0.202 4.325 4.527 -0.000 0.000 0.295 163 F C 2.508 178.275 175.800 -0.055 0.000 1.100 163 F CA 1.441 59.391 58.000 -0.084 0.000 1.260 163 F CB -0.074 38.876 39.000 -0.082 0.000 1.009 163 F HN -0.111 nan 8.300 nan 0.000 0.476 164 M N -0.109 119.493 119.600 0.004 0.000 2.149 164 M HA -0.192 4.288 4.480 -0.000 0.000 0.261 164 M C 2.273 178.495 176.300 -0.131 0.000 1.064 164 M CA 1.401 56.676 55.300 -0.042 0.000 1.102 164 M CB -1.551 31.074 32.600 0.042 0.000 1.369 164 M HN 0.381 nan 8.290 nan 0.000 0.408 165 L N 0.322 121.471 121.223 -0.123 0.000 2.072 165 L HA -0.115 4.225 4.340 -0.000 0.000 0.205 165 L C 2.266 179.043 176.870 -0.156 0.000 1.079 165 L CA 1.249 56.023 54.840 -0.110 0.000 0.752 165 L CB -0.676 41.336 42.059 -0.080 0.000 0.906 165 L HN 0.196 nan 8.230 nan 0.000 0.436 166 L N -0.227 120.855 121.223 -0.234 0.000 2.056 166 L HA -0.014 4.326 4.340 -0.000 0.000 0.207 166 L C 2.328 179.002 176.870 -0.325 0.000 1.078 166 L CA 2.019 56.699 54.840 -0.267 0.000 0.749 166 L CB -0.772 41.102 42.059 -0.308 0.000 0.901 166 L HN 0.249 nan 8.230 nan 0.000 0.433 167 A N -1.012 121.517 122.820 -0.485 0.000 2.123 167 A HA 0.341 4.660 4.320 -0.000 0.000 0.214 167 A C 1.621 179.095 177.584 -0.184 0.000 1.152 167 A CA 0.587 52.380 52.037 -0.408 0.000 0.728 167 A CB -0.867 17.761 19.000 -0.620 0.000 0.814 167 A HN 0.839 nan 8.150 nan 0.000 0.464 168 G N -0.668 108.042 108.800 -0.150 0.000 2.272 168 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.280 168 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.280 168 G C -0.165 174.716 174.900 -0.033 0.000 1.067 168 G CA 0.485 45.539 45.100 -0.077 0.000 0.902 168 G HN 0.461 nan 8.290 nan 0.000 0.500 169 L N 0.406 121.618 121.223 -0.018 0.000 2.334 169 L HA 0.562 4.902 4.340 -0.000 0.000 0.273 169 L C -1.715 175.188 176.870 0.055 0.000 1.013 169 L CA -2.523 52.351 54.840 0.057 0.000 0.816 169 L CB 2.030 44.167 42.059 0.131 0.000 1.278 169 L HN -0.040 nan 8.230 nan 0.000 0.431 170 P HA 0.094 nan 4.420 nan 0.000 0.271 170 P C -0.081 177.259 177.300 0.068 0.000 1.220 170 P CA -0.169 62.967 63.100 0.061 0.000 0.768 170 P CB 0.803 32.543 31.700 0.066 0.000 0.848 171 E N 1.716 121.942 120.200 0.043 0.000 2.209 171 E HA -0.222 4.128 4.350 -0.000 0.000 0.196 171 E C 0.995 177.621 176.600 0.043 0.000 0.993 171 E CA 1.337 57.759 56.400 0.037 0.000 0.819 171 E CB -0.049 29.665 29.700 0.022 0.000 0.745 171 E HN 0.566 nan 8.360 nan 0.000 0.477 172 E N 0.775 121.004 120.200 0.048 0.000 2.333 172 E HA -0.145 4.204 4.350 -0.000 0.000 0.198 172 E C 1.145 177.787 176.600 0.070 0.000 1.007 172 E CA 0.823 57.252 56.400 0.049 0.000 0.845 172 E CB 0.018 29.744 29.700 0.044 0.000 0.766 172 E HN 0.205 nan 8.360 nan 0.000 0.507 173 D N -0.277 120.181 120.400 0.097 0.000 2.348 173 D HA 0.061 4.701 4.640 -0.000 0.000 0.211 173 D C 1.702 178.045 176.300 0.072 0.000 0.998 173 D CA 0.085 54.163 54.000 0.130 0.000 0.873 173 D CB 0.068 41.007 40.800 0.232 0.000 0.925 173 D HN 0.202 nan 8.370 nan 0.000 0.524 174 I N 2.166 122.764 120.570 0.047 0.000 2.074 174 I HA -0.293 3.876 4.170 -0.000 0.000 0.238 174 I C -0.507 175.621 176.117 0.018 0.000 1.037 174 I CA 1.657 62.968 61.300 0.019 0.000 1.301 174 I CB -1.759 36.251 38.000 0.017 0.000 1.016 174 I HN 0.063 nan 8.210 nan 0.000 0.400 175 P HA -0.224 nan 4.420 nan 0.000 0.216 175 P C 1.435 178.783 177.300 0.080 0.000 1.150 175 P CA 1.983 65.113 63.100 0.049 0.000 0.843 175 P CB -0.235 31.490 31.700 0.042 0.000 0.787 176 H N -0.286 118.781 119.070 -0.005 0.000 2.333 176 H HA 0.038 4.594 4.556 -0.000 0.000 0.302 176 H C 2.018 177.341 175.328 -0.007 0.000 1.075 176 H CA 1.260 57.310 56.048 0.002 0.000 1.348 176 H CB -0.919 28.843 29.762 -0.001 0.000 1.393 176 H HN -0.080 nan 8.280 nan 0.000 0.509 177 L N -0.008 121.101 121.223 -0.189 0.000 2.046 177 L HA -0.129 4.210 4.340 -0.000 0.000 0.208 177 L C 2.500 179.245 176.870 -0.208 0.000 1.077 177 L CA 1.514 56.167 54.840 -0.311 0.000 0.747 177 L CB -0.389 41.483 42.059 -0.311 0.000 0.896 177 L HN 0.222 nan 8.230 nan 0.000 0.432 178 K N -0.061 120.272 120.400 -0.111 0.000 2.097 178 K HA -0.248 4.072 4.320 -0.000 0.000 0.206 178 K C 2.081 178.644 176.600 -0.061 0.000 1.049 178 K CA 1.538 57.778 56.287 -0.079 0.000 0.933 178 K CB -0.600 31.878 32.500 -0.038 0.000 0.717 178 K HN 0.205 nan 8.250 nan 0.000 0.442 179 Y N 0.724 120.938 120.300 -0.143 0.000 2.145 179 Y HA -0.138 4.412 4.550 -0.000 0.000 0.286 179 Y C 1.612 177.419 175.900 -0.155 0.000 1.145 179 Y CA 1.871 59.895 58.100 -0.127 0.000 1.148 179 Y CB -0.172 38.224 38.460 -0.107 0.000 0.981 179 Y HN 0.011 nan 8.280 nan 0.000 0.507 180 L N -1.070 120.025 121.223 -0.214 0.000 2.046 180 L HA -0.228 4.112 4.340 -0.000 0.000 0.208 180 L C 2.308 179.013 176.870 -0.274 0.000 1.077 180 L CA 1.783 56.455 54.840 -0.281 0.000 0.747 180 L CB -1.006 40.897 42.059 -0.261 0.000 0.896 180 L HN 0.186 nan 8.230 nan 0.000 0.432 181 T N -0.974 113.441 114.554 -0.233 0.000 2.746 181 T HA -0.172 4.178 4.350 -0.000 0.000 0.267 181 T C 1.413 176.009 174.700 -0.174 0.000 1.039 181 T CA 1.545 63.529 62.100 -0.194 0.000 1.142 181 T CB -0.249 68.507 68.868 -0.185 0.000 0.866 181 T HN 0.285 nan 8.240 nan 0.000 0.444 182 D N 0.877 121.158 120.400 -0.198 0.000 2.178 182 D HA -0.056 4.583 4.640 -0.000 0.000 0.202 182 D C 2.451 178.628 176.300 -0.205 0.000 0.974 182 D CA 0.668 54.564 54.000 -0.173 0.000 0.841 182 D CB -0.220 40.488 40.800 -0.154 0.000 0.953 182 D HN 0.239 nan 8.370 nan 0.000 0.478 183 Q N -0.408 119.199 119.800 -0.321 0.000 2.170 183 Q HA -0.047 4.293 4.340 -0.000 0.000 0.203 183 Q C 2.180 178.091 176.000 -0.147 0.000 0.976 183 Q CA 0.814 56.436 55.803 -0.301 0.000 0.858 183 Q CB -0.205 28.289 28.738 -0.407 0.000 0.907 183 Q HN 0.443 nan 8.270 nan 0.000 0.433 184 M N -0.240 119.301 119.600 -0.098 0.000 2.193 184 M HA -0.100 4.379 4.480 -0.000 0.000 0.265 184 M C 2.126 178.453 176.300 0.046 0.000 1.071 184 M CA 1.852 57.169 55.300 0.029 0.000 1.140 184 M CB -0.122 32.472 32.600 -0.010 0.000 1.369 184 M HN 0.251 nan 8.290 nan 0.000 0.423 185 T N -2.264 112.291 114.554 0.001 0.000 3.039 185 T HA 0.142 4.492 4.350 -0.000 0.000 0.250 185 T C 1.093 175.877 174.700 0.140 0.000 1.052 185 T CA 0.078 62.202 62.100 0.039 0.000 1.125 185 T CB 0.046 68.916 68.868 0.002 0.000 0.908 185 T HN 0.256 nan 8.240 nan 0.000 0.473 186 R N 2.089 122.637 120.500 0.079 0.000 2.738 186 R HA 0.328 4.668 4.340 -0.000 0.000 0.280 186 R C -2.953 173.347 176.300 -0.001 0.000 1.456 186 R CA -1.811 54.356 56.100 0.112 0.000 1.612 186 R CB 0.904 31.264 30.300 0.100 0.000 1.286 186 R HN 0.325 nan 8.270 nan 0.000 0.660 187 P HA -0.109 nan 4.420 nan 0.000 0.263 187 P C -0.113 177.089 177.300 -0.163 0.000 1.175 187 P CA 0.425 63.415 63.100 -0.182 0.000 0.761 187 P CB 0.951 32.481 31.700 -0.282 0.000 0.794 188 D N 1.648 121.951 120.400 -0.161 0.000 2.324 188 D HA 0.049 4.689 4.640 -0.000 0.000 0.212 188 D C 1.436 177.672 176.300 -0.106 0.000 0.984 188 D CA 1.385 55.322 54.000 -0.104 0.000 0.885 188 D CB 0.206 40.950 40.800 -0.094 0.000 0.996 188 D HN 0.583 nan 8.370 nan 0.000 0.505 189 G N 0.122 108.831 108.800 -0.151 0.000 2.192 189 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.193 189 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.193 189 G C 1.117 175.949 174.900 -0.114 0.000 0.999 189 G CA 0.929 45.942 45.100 -0.145 0.000 0.659 189 G HN 0.394 nan 8.290 nan 0.000 0.503 190 S N -0.157 115.491 115.700 -0.088 0.000 2.461 190 S HA 0.455 4.925 4.470 -0.000 0.000 0.228 190 S C 1.049 175.626 174.600 -0.038 0.000 1.005 190 S CA 1.360 59.542 58.200 -0.029 0.000 0.942 190 S CB -0.291 62.944 63.200 0.059 0.000 0.776 190 S HN 1.601 nan 8.310 nan 0.000 0.514 191 M N 0.329 119.864 119.600 -0.108 0.000 2.490 191 M HA 0.472 4.952 4.480 -0.000 0.000 0.286 191 M C -0.854 175.294 176.300 -0.254 0.000 1.185 191 M CA -0.827 54.401 55.300 -0.119 0.000 0.912 191 M CB 1.474 34.042 32.600 -0.054 0.000 1.744 191 M HN 0.047 nan 8.290 nan 0.000 0.494 192 T N -1.109 113.299 114.554 -0.242 0.000 2.849 192 T HA 0.507 4.857 4.350 -0.000 0.000 0.284 192 T C 0.738 175.256 174.700 -0.304 0.000 1.004 192 T CA -0.394 61.441 62.100 -0.441 0.000 1.021 192 T CB 0.448 69.185 68.868 -0.218 0.000 1.013 192 T HN 0.557 nan 8.240 nan 0.000 0.527 193 F N 0.764 120.733 119.950 0.031 0.000 2.095 193 F HA 0.054 4.581 4.527 -0.000 0.000 0.298 193 F C 2.965 178.875 175.800 0.183 0.000 1.104 193 F CA 1.106 59.198 58.000 0.153 0.000 1.232 193 F CB -1.576 37.520 39.000 0.161 0.000 0.987 193 F HN 0.696 nan 8.300 nan 0.000 0.475 194 A N 0.174 123.212 122.820 0.363 0.000 1.898 194 A HA -0.138 4.181 4.320 -0.000 0.000 0.216 194 A C 2.220 179.845 177.584 0.069 0.000 1.181 194 A CA 1.522 53.679 52.037 0.200 0.000 0.620 194 A CB -0.580 18.526 19.000 0.177 0.000 0.819 194 A HN 0.339 nan 8.150 nan 0.000 0.442 195 E N 0.124 120.350 120.200 0.043 0.000 2.077 195 E HA -0.166 4.184 4.350 -0.000 0.000 0.193 195 E C 2.357 178.945 176.600 -0.021 0.000 0.989 195 E CA 1.266 57.671 56.400 0.009 0.000 0.800 195 E CB -0.611 29.083 29.700 -0.010 0.000 0.746 195 E HN 0.585 nan 8.360 nan 0.000 0.452 196 A N 1.843 124.632 122.820 -0.053 0.000 1.877 196 A HA -0.210 4.109 4.320 -0.000 0.000 0.216 196 A C 2.172 179.655 177.584 -0.169 0.000 1.186 196 A CA 1.825 53.798 52.037 -0.106 0.000 0.620 196 A CB -0.453 18.468 19.000 -0.131 0.000 0.822 196 A HN 0.142 nan 8.150 nan 0.000 0.443 197 K N -0.635 119.625 120.400 -0.233 0.000 2.057 197 K HA -0.188 4.132 4.320 -0.000 0.000 0.207 197 K C 1.839 178.209 176.600 -0.385 0.000 1.049 197 K CA 1.535 57.550 56.287 -0.453 0.000 0.931 197 K CB -0.106 32.063 32.500 -0.552 0.000 0.714 197 K HN 0.382 nan 8.250 nan 0.000 0.440 198 E N 0.327 120.442 120.200 -0.141 0.000 2.072 198 E HA -0.152 4.197 4.350 -0.000 0.000 0.191 198 E C 1.939 178.582 176.600 0.072 0.000 0.985 198 E CA 1.194 57.602 56.400 0.013 0.000 0.801 198 E CB -0.282 29.452 29.700 0.056 0.000 0.750 198 E HN 0.417 nan 8.360 nan 0.000 0.452 199 A N 1.129 123.976 122.820 0.044 0.000 1.933 199 A HA -0.154 4.165 4.320 -0.000 0.000 0.218 199 A C 2.256 179.922 177.584 0.135 0.000 1.175 199 A CA 1.273 53.372 52.037 0.104 0.000 0.628 199 A CB -0.549 18.501 19.000 0.084 0.000 0.814 199 A HN 0.244 nan 8.150 nan 0.000 0.444 200 L N -1.740 119.501 121.223 0.029 0.000 2.093 200 L HA -0.086 4.254 4.340 -0.000 0.000 0.208 200 L C 2.198 179.235 176.870 0.278 0.000 1.085 200 L CA 1.772 56.646 54.840 0.056 0.000 0.755 200 L CB -0.615 41.379 42.059 -0.107 0.000 0.904 200 L HN 0.437 nan 8.230 nan 0.000 0.435 201 Y N -0.299 120.083 120.300 0.137 0.000 2.314 201 Y HA -0.114 4.435 4.550 -0.000 0.000 0.293 201 Y C 2.378 178.357 175.900 0.132 0.000 1.129 201 Y CA 0.717 58.897 58.100 0.133 0.000 1.201 201 Y CB -0.984 37.538 38.460 0.104 0.000 0.999 201 Y HN 0.264 nan 8.280 nan 0.000 0.541 202 D N -1.170 119.402 120.400 0.287 0.000 2.144 202 D HA -0.207 4.433 4.640 -0.000 0.000 0.199 202 D C 2.000 178.407 176.300 0.178 0.000 0.984 202 D CA 1.107 55.225 54.000 0.196 0.000 0.834 202 D CB -0.617 40.283 40.800 0.167 0.000 0.955 202 D HN 0.353 nan 8.370 nan 0.000 0.465 203 Y N 1.197 121.587 120.300 0.151 0.000 2.070 203 Y HA -0.167 4.383 4.550 -0.000 0.000 0.279 203 Y C 2.170 178.139 175.900 0.115 0.000 1.134 203 Y CA 1.509 59.693 58.100 0.140 0.000 1.113 203 Y CB -0.452 38.113 38.460 0.175 0.000 0.981 203 Y HN -0.097 nan 8.280 nan 0.000 0.487 204 L N -0.334 121.027 121.223 0.229 0.000 2.017 204 L HA -0.252 4.088 4.340 -0.000 0.000 0.208 204 L C 2.457 179.346 176.870 0.031 0.000 1.073 204 L CA 1.585 56.521 54.840 0.161 0.000 0.745 204 L CB -0.742 41.495 42.059 0.296 0.000 0.894 204 L HN 0.325 nan 8.230 nan 0.000 0.432 205 I N -0.069 120.525 120.570 0.041 0.000 2.074 205 I HA -0.308 3.861 4.170 -0.000 0.000 0.238 205 I C -0.281 175.821 176.117 -0.024 0.000 1.037 205 I CA 1.981 63.282 61.300 0.003 0.000 1.301 205 I CB -1.691 36.319 38.000 0.017 0.000 1.016 205 I HN 0.226 nan 8.210 nan 0.000 0.400 206 P HA -0.169 nan 4.420 nan 0.000 0.216 206 P C 1.846 179.105 177.300 -0.068 0.000 1.153 206 P CA 1.685 64.749 63.100 -0.060 0.000 0.858 206 P CB -0.091 31.561 31.700 -0.081 0.000 0.789 207 I N -1.365 119.146 120.570 -0.098 0.000 2.179 207 I HA -0.231 3.939 4.170 -0.000 0.000 0.242 207 I C 2.356 178.451 176.117 -0.037 0.000 1.088 207 I CA 1.466 62.718 61.300 -0.080 0.000 1.357 207 I CB -0.630 37.305 38.000 -0.108 0.000 1.051 207 I HN -0.119 nan 8.210 nan 0.000 0.409 208 I N 0.712 121.269 120.570 -0.022 0.000 2.179 208 I HA -0.284 3.886 4.170 -0.000 0.000 0.242 208 I C 2.544 178.653 176.117 -0.013 0.000 1.088 208 I CA 1.538 62.833 61.300 -0.008 0.000 1.357 208 I CB -0.430 37.570 38.000 -0.000 0.000 1.051 208 I HN 0.253 nan 8.210 nan 0.000 0.409 209 E N 0.348 120.538 120.200 -0.018 0.000 2.070 209 E HA -0.344 4.006 4.350 -0.000 0.000 0.197 209 E C 2.180 178.770 176.600 -0.016 0.000 1.004 209 E CA 1.535 57.926 56.400 -0.016 0.000 0.805 209 E CB -0.230 29.459 29.700 -0.018 0.000 0.744 209 E HN 0.503 nan 8.360 nan 0.000 0.451 210 Q N 0.510 120.297 119.800 -0.022 0.000 2.096 210 Q HA -0.176 4.164 4.340 -0.000 0.000 0.204 210 Q C 1.836 177.825 176.000 -0.019 0.000 0.982 210 Q CA 1.435 57.224 55.803 -0.023 0.000 0.850 210 Q CB 0.085 28.804 28.738 -0.032 0.000 0.901 210 Q HN 0.070 nan 8.270 nan 0.000 0.422 211 R N -0.813 119.677 120.500 -0.017 0.000 2.310 211 R HA 0.087 4.427 4.340 -0.000 0.000 0.202 211 R C 1.882 178.176 176.300 -0.010 0.000 0.933 211 R CA 0.235 56.326 56.100 -0.014 0.000 1.054 211 R CB 0.296 30.588 30.300 -0.013 0.000 0.985 211 R HN 0.158 nan 8.270 nan 0.000 0.489 212 R N -0.059 120.435 120.500 -0.009 0.000 2.090 212 R HA 0.017 4.357 4.340 -0.000 0.000 0.219 212 R C 1.828 178.123 176.300 -0.008 0.000 1.100 212 R CA 0.875 56.971 56.100 -0.007 0.000 0.991 212 R CB -0.032 30.266 30.300 -0.005 0.000 0.893 212 R HN 0.243 nan 8.270 nan 0.000 0.443 213 Q N 0.940 120.735 119.800 -0.010 0.000 1.965 213 Q HA -0.049 4.291 4.340 -0.000 0.000 0.200 213 Q C 0.867 176.861 176.000 -0.010 0.000 0.981 213 Q CA 1.668 57.465 55.803 -0.010 0.000 0.834 213 Q CB 0.052 28.784 28.738 -0.011 0.000 0.900 213 Q HN 0.158 nan 8.270 nan 0.000 0.426 214 K N 1.941 122.334 120.400 -0.012 0.000 2.473 214 K HA 0.382 4.702 4.320 -0.000 0.000 0.246 214 K C -2.848 173.744 176.600 -0.014 0.000 1.011 214 K CA -1.882 54.398 56.287 -0.013 0.000 0.984 214 K CB 0.571 33.063 32.500 -0.013 0.000 1.250 214 K HN 0.023 nan 8.250 nan 0.000 0.454 215 P HA 0.481 nan 4.420 nan 0.000 0.277 215 P C 0.360 177.651 177.300 -0.016 0.000 1.240 215 P CA -0.055 63.037 63.100 -0.014 0.000 0.798 215 P CB 1.785 33.477 31.700 -0.013 0.000 0.979 216 G N -0.204 108.585 108.800 -0.019 0.000 3.212 216 G HA2 0.502 4.462 3.960 -0.000 0.000 0.188 216 G HA3 0.502 4.462 3.960 -0.000 0.000 0.188 216 G C 0.194 175.079 174.900 -0.024 0.000 1.254 216 G CA -0.134 44.953 45.100 -0.022 0.000 0.957 216 G HN 0.456 nan 8.290 nan 0.000 0.596 217 T N -1.697 112.840 114.554 -0.029 0.000 3.040 217 T HA 0.188 4.538 4.350 -0.000 0.000 0.266 217 T C 0.561 175.236 174.700 -0.042 0.000 1.005 217 T CA 0.556 62.637 62.100 -0.032 0.000 0.906 217 T CB -0.206 68.645 68.868 -0.029 0.000 1.082 217 T HN 0.601 nan 8.240 nan 0.000 0.531 218 D N 1.434 121.805 120.400 -0.048 0.000 2.369 218 D HA 0.233 4.873 4.640 -0.000 0.000 0.241 218 D C 1.460 177.719 176.300 -0.067 0.000 1.271 218 D CA 0.097 54.055 54.000 -0.070 0.000 0.942 218 D CB 1.160 41.918 40.800 -0.070 0.000 1.129 218 D HN 0.139 nan 8.370 nan 0.000 0.476 219 A N 0.784 123.545 122.820 -0.097 0.000 1.930 219 A HA -0.106 4.214 4.320 -0.000 0.000 0.217 219 A C 2.441 180.004 177.584 -0.035 0.000 1.175 219 A CA 0.941 52.933 52.037 -0.075 0.000 0.627 219 A CB -0.687 18.240 19.000 -0.122 0.000 0.815 219 A HN 0.652 nan 8.150 nan 0.000 0.443 220 I N -0.426 120.123 120.570 -0.036 0.000 2.226 220 I HA -0.212 3.958 4.170 -0.000 0.000 0.245 220 I C 2.664 178.781 176.117 0.000 0.000 1.100 220 I CA 1.378 62.678 61.300 -0.000 0.000 1.374 220 I CB -0.362 37.645 38.000 0.011 0.000 1.057 220 I HN 0.218 nan 8.210 nan 0.000 0.413 221 S N 0.905 116.598 115.700 -0.013 0.000 2.356 221 S HA -0.102 4.368 4.470 -0.000 0.000 0.223 221 S C 2.014 176.608 174.600 -0.009 0.000 1.032 221 S CA 1.151 59.344 58.200 -0.012 0.000 1.005 221 S CB -0.172 63.017 63.200 -0.019 0.000 0.867 221 S HN 0.303 nan 8.310 nan 0.000 0.449 222 I N 1.211 121.774 120.570 -0.012 0.000 2.315 222 I HA -0.091 4.079 4.170 -0.000 0.000 0.248 222 I C 2.173 178.292 176.117 0.003 0.000 1.117 222 I CA 1.102 62.397 61.300 -0.009 0.000 1.404 222 I CB -1.141 36.851 38.000 -0.014 0.000 1.071 222 I HN 0.189 nan 8.210 nan 0.000 0.419 223 V N 1.370 121.292 119.914 0.014 0.000 2.379 223 V HA -0.142 3.978 4.120 -0.000 0.000 0.245 223 V C 2.830 178.944 176.094 0.034 0.000 1.044 223 V CA 1.626 63.946 62.300 0.034 0.000 1.036 223 V CB -0.950 30.905 31.823 0.053 0.000 0.664 223 V HN 0.427 nan 8.190 nan 0.000 0.453 224 A N 0.413 123.247 122.820 0.024 0.000 2.019 224 A HA -0.192 4.128 4.320 -0.000 0.000 0.219 224 A C 1.720 179.311 177.584 0.013 0.000 1.164 224 A CA 2.117 54.166 52.037 0.020 0.000 0.644 224 A CB -0.596 18.412 19.000 0.012 0.000 0.805 224 A HN 0.689 nan 8.150 nan 0.000 0.449 225 N N -0.886 117.818 118.700 0.006 0.000 2.234 225 N HA 0.317 5.057 4.740 -0.000 0.000 0.227 225 N C 0.563 176.070 175.510 -0.006 0.000 1.151 225 N CA 0.258 53.307 53.050 -0.002 0.000 0.865 225 N CB 0.785 39.268 38.487 -0.006 0.000 1.066 225 N HN 0.406 nan 8.380 nan 0.000 0.515 226 G N -0.256 108.542 108.800 -0.004 0.000 2.562 226 G HA2 0.259 4.219 3.960 -0.000 0.000 0.275 226 G HA3 0.259 4.219 3.960 -0.000 0.000 0.275 226 G C -0.378 174.503 174.900 -0.032 0.000 1.196 226 G CA -0.331 44.758 45.100 -0.017 0.000 0.908 226 G HN -0.003 nan 8.290 nan 0.000 0.524 227 Q N -0.532 119.236 119.800 -0.053 0.000 2.282 227 Q HA 0.472 4.811 4.340 -0.000 0.000 0.260 227 Q C -0.579 175.342 176.000 -0.132 0.000 0.964 227 Q CA -0.648 55.110 55.803 -0.075 0.000 0.880 227 Q CB 2.183 30.883 28.738 -0.064 0.000 1.286 227 Q HN 0.570 nan 8.270 nan 0.000 0.445 228 V N 0.101 119.914 119.914 -0.167 0.000 2.488 228 V HA 0.433 4.553 4.120 -0.000 0.000 0.293 228 V C 0.061 176.021 176.094 -0.223 0.000 1.027 228 V CA -0.935 61.181 62.300 -0.306 0.000 0.862 228 V CB 1.501 32.986 31.823 -0.563 0.000 1.008 228 V HN 1.022 nan 8.190 nan 0.000 0.428 229 N N 3.329 121.916 118.700 -0.189 0.000 2.746 229 N HA -0.215 4.524 4.740 -0.000 0.000 0.250 229 N C 1.254 176.718 175.510 -0.076 0.000 1.055 229 N CA 1.385 54.366 53.050 -0.115 0.000 0.699 229 N CB -0.898 37.527 38.487 -0.104 0.000 0.919 229 N HN 2.368 nan 8.380 nan 0.000 0.548 230 G N -0.255 108.501 108.800 -0.072 0.000 2.353 230 G HA2 -0.398 3.562 3.960 -0.000 0.000 0.258 230 G HA3 -0.398 3.562 3.960 -0.000 0.000 0.258 230 G C 0.182 175.055 174.900 -0.045 0.000 1.013 230 G CA 1.579 46.648 45.100 -0.051 0.000 0.622 230 G HN 0.960 nan 8.290 nan 0.000 0.535 231 R N 0.136 120.607 120.500 -0.048 0.000 2.875 231 R HA 0.794 5.134 4.340 -0.000 0.000 0.251 231 R C -3.198 173.079 176.300 -0.038 0.000 1.123 231 R CA -2.584 53.496 56.100 -0.033 0.000 1.064 231 R CB -0.118 30.169 30.300 -0.020 0.000 1.205 231 R HN 0.140 nan 8.270 nan 0.000 0.503 232 P HA 0.181 nan 4.420 nan 0.000 0.280 232 P C -0.308 176.993 177.300 0.001 0.000 1.244 232 P CA -0.485 62.606 63.100 -0.015 0.000 0.784 232 P CB 0.617 32.314 31.700 -0.006 0.000 0.913 233 I N 2.415 122.989 120.570 0.007 0.000 2.872 233 I HA 0.015 4.185 4.170 -0.000 0.000 0.291 233 I C 0.794 176.946 176.117 0.059 0.000 1.216 233 I CA 0.489 61.823 61.300 0.058 0.000 1.424 233 I CB 0.684 38.727 38.000 0.072 0.000 1.351 233 I HN 0.439 nan 8.210 nan 0.000 0.592 234 T N 2.097 116.701 114.554 0.082 0.000 2.862 234 T HA 0.154 4.504 4.350 -0.000 0.000 0.276 234 T C 0.923 175.646 174.700 0.038 0.000 0.974 234 T CA -0.259 61.871 62.100 0.050 0.000 0.966 234 T CB 1.594 70.492 68.868 0.049 0.000 1.072 234 T HN 0.632 nan 8.240 nan 0.000 0.538 235 S N -0.514 115.195 115.700 0.016 0.000 2.402 235 S HA -0.109 4.361 4.470 -0.000 0.000 0.229 235 S C 1.638 176.224 174.600 -0.025 0.000 1.021 235 S CA 1.605 59.804 58.200 -0.002 0.000 0.974 235 S CB -0.814 62.381 63.200 -0.008 0.000 0.800 235 S HN 0.910 nan 8.310 nan 0.000 0.484 236 D N 0.569 120.954 120.400 -0.025 0.000 2.097 236 D HA -0.091 4.549 4.640 -0.000 0.000 0.197 236 D C 1.945 178.211 176.300 -0.057 0.000 0.984 236 D CA 1.330 55.293 54.000 -0.062 0.000 0.826 236 D CB -0.112 40.665 40.800 -0.037 0.000 0.973 236 D HN 0.479 nan 8.370 nan 0.000 0.460 237 E N -0.051 120.151 120.200 0.005 0.000 2.110 237 E HA -0.140 4.210 4.350 -0.000 0.000 0.193 237 E C 2.129 178.765 176.600 0.060 0.000 0.988 237 E CA 0.950 57.373 56.400 0.039 0.000 0.804 237 E CB -0.159 29.639 29.700 0.164 0.000 0.745 237 E HN 0.376 nan 8.360 nan 0.000 0.458 238 A N 1.708 124.560 122.820 0.053 0.000 1.930 238 A HA -0.216 4.104 4.320 -0.000 0.000 0.217 238 A C 2.064 179.667 177.584 0.030 0.000 1.175 238 A CA 1.540 53.611 52.037 0.057 0.000 0.627 238 A CB -0.357 18.669 19.000 0.043 0.000 0.815 238 A HN 0.080 nan 8.150 nan 0.000 0.443 239 K N -0.211 120.166 120.400 -0.037 0.000 2.032 239 K HA -0.183 4.137 4.320 -0.000 0.000 0.209 239 K C 2.235 178.795 176.600 -0.066 0.000 1.048 239 K CA 1.609 57.824 56.287 -0.121 0.000 0.927 239 K CB -0.207 32.097 32.500 -0.326 0.000 0.712 239 K HN 0.452 nan 8.250 nan 0.000 0.441 240 R N -0.144 120.327 120.500 -0.048 0.000 2.092 240 R HA -0.042 4.298 4.340 -0.000 0.000 0.231 240 R C 2.479 178.910 176.300 0.219 0.000 1.119 240 R CA 1.521 57.723 56.100 0.171 0.000 0.970 240 R CB -0.190 30.179 30.300 0.116 0.000 0.864 240 R HN 0.323 nan 8.270 nan 0.000 0.440 241 M N -0.172 119.504 119.600 0.127 0.000 2.123 241 M HA -0.161 4.318 4.480 -0.000 0.000 0.263 241 M C 2.432 178.783 176.300 0.084 0.000 1.069 241 M CA 1.327 56.698 55.300 0.118 0.000 1.133 241 M CB -0.290 32.391 32.600 0.134 0.000 1.356 241 M HN 0.270 nan 8.290 nan 0.000 0.415 242 C N 0.236 119.595 119.300 0.099 0.000 2.422 242 C HA -0.092 4.368 4.460 -0.000 0.000 0.279 242 C C 2.813 177.844 174.990 0.069 0.000 1.305 242 C CA 1.021 60.103 59.018 0.106 0.000 1.757 242 C CB -1.860 25.954 27.740 0.123 0.000 1.962 242 C HN 0.749 nan 8.230 nan 0.000 0.499 243 G N 0.309 109.160 108.800 0.085 0.000 2.418 243 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.217 243 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.217 243 G C 1.516 176.033 174.900 -0.639 0.000 1.158 243 G CA 0.959 46.016 45.100 -0.072 0.000 0.771 243 G HN 0.479 nan 8.290 nan 0.000 0.545 244 L N 0.457 121.293 121.223 -0.645 0.000 2.056 244 L HA 0.145 4.485 4.340 -0.000 0.000 0.207 244 L C 2.702 179.385 176.870 -0.312 0.000 1.078 244 L CA 1.245 55.712 54.840 -0.622 0.000 0.749 244 L CB -0.380 41.535 42.059 -0.240 0.000 0.901 244 L HN 0.190 nan 8.230 nan 0.000 0.433 245 L N -1.304 119.835 121.223 -0.140 0.000 2.079 245 L HA -0.245 4.094 4.340 -0.000 0.000 0.210 245 L C 2.512 179.221 176.870 -0.269 0.000 1.081 245 L CA 0.787 55.612 54.840 -0.026 0.000 0.752 245 L CB -0.692 41.484 42.059 0.196 0.000 0.896 245 L HN 0.324 nan 8.230 nan 0.000 0.433 246 L N -0.492 120.586 121.223 -0.242 0.000 2.017 246 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 246 L C 2.568 179.156 176.870 -0.470 0.000 1.073 246 L CA 1.611 56.227 54.840 -0.373 0.000 0.745 246 L CB -0.834 41.135 42.059 -0.149 0.000 0.894 246 L HN 0.134 nan 8.230 nan 0.000 0.432 247 V N -0.270 119.412 119.914 -0.388 0.000 2.358 247 V HA -0.149 3.971 4.120 -0.000 0.000 0.246 247 V C 2.664 178.591 176.094 -0.279 0.000 1.047 247 V CA 1.632 63.747 62.300 -0.308 0.000 1.035 247 V CB -1.248 30.406 31.823 -0.282 0.000 0.658 247 V HN 0.534 nan 8.190 nan 0.000 0.452 248 G N 0.242 108.868 108.800 -0.289 0.000 2.418 248 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.217 248 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.217 248 G C 1.613 176.331 174.900 -0.304 0.000 1.158 248 G CA 0.952 45.922 45.100 -0.215 0.000 0.771 248 G HN 0.577 nan 8.290 nan 0.000 0.545 249 G N 0.427 108.843 108.800 -0.641 0.000 2.394 249 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.215 249 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.215 249 G C 1.670 176.285 174.900 -0.475 0.000 1.165 249 G CA 0.728 45.335 45.100 -0.822 0.000 0.784 249 G HN 0.332 nan 8.290 nan 0.000 0.535 250 L N -0.012 120.944 121.223 -0.445 0.000 2.162 250 L HA 0.243 4.582 4.340 -0.000 0.000 0.205 250 L C 1.831 178.608 176.870 -0.156 0.000 1.086 250 L CA 1.402 56.089 54.840 -0.254 0.000 0.778 250 L CB -0.008 41.903 42.059 -0.247 0.000 0.928 250 L HN 0.130 nan 8.230 nan 0.000 0.446 251 D N -2.527 117.785 120.400 -0.146 0.000 2.398 251 D HA 0.003 4.642 4.640 -0.000 0.000 0.210 251 D C 1.674 177.956 176.300 -0.030 0.000 1.094 251 D CA 0.819 54.771 54.000 -0.080 0.000 0.839 251 D CB 0.479 41.229 40.800 -0.083 0.000 0.963 251 D HN 0.310 nan 8.370 nan 0.000 0.506 252 T N -3.313 111.230 114.554 -0.019 0.000 3.082 252 T HA 0.031 4.381 4.350 -0.000 0.000 0.235 252 T C 1.965 176.732 174.700 0.112 0.000 0.991 252 T CA 0.389 62.515 62.100 0.043 0.000 1.220 252 T CB -0.649 68.238 68.868 0.032 0.000 0.909 252 T HN -0.132 nan 8.240 nan 0.000 0.424 253 V N 2.204 122.181 119.914 0.104 0.000 2.407 253 V HA -0.132 3.988 4.120 -0.000 0.000 0.248 253 V C 2.932 179.147 176.094 0.202 0.000 1.055 253 V CA 1.305 63.715 62.300 0.184 0.000 1.049 253 V CB -0.837 31.069 31.823 0.138 0.000 0.662 253 V HN 0.374 nan 8.190 nan 0.000 0.455 254 V N 1.052 121.029 119.914 0.105 0.000 2.252 254 V HA -0.297 3.823 4.120 -0.000 0.000 0.249 254 V C 2.270 178.403 176.094 0.065 0.000 1.056 254 V CA 2.464 64.806 62.300 0.070 0.000 1.022 254 V CB -0.806 31.020 31.823 0.005 0.000 0.641 254 V HN 0.648 nan 8.190 nan 0.000 0.445 255 N N -0.618 118.120 118.700 0.064 0.000 2.171 255 N HA -0.124 4.616 4.740 -0.000 0.000 0.184 255 N C 1.844 177.376 175.510 0.037 0.000 1.021 255 N CA 1.411 54.453 53.050 -0.013 0.000 0.854 255 N CB -0.404 38.109 38.487 0.044 0.000 0.994 255 N HN 0.494 nan 8.380 nan 0.000 0.426 256 F N 2.512 122.539 119.950 0.128 0.000 2.126 256 F HA -0.088 4.439 4.527 -0.000 0.000 0.299 256 F C 2.140 178.026 175.800 0.142 0.000 1.096 256 F CA 1.092 59.221 58.000 0.215 0.000 1.255 256 F CB -0.359 38.727 39.000 0.143 0.000 0.997 256 F HN -0.098 nan 8.300 nan 0.000 0.479 257 L N -0.779 120.470 121.223 0.044 0.000 2.046 257 L HA -0.231 4.109 4.340 -0.000 0.000 0.208 257 L C 2.506 179.290 176.870 -0.144 0.000 1.077 257 L CA 1.418 56.275 54.840 0.029 0.000 0.747 257 L CB -0.948 41.324 42.059 0.356 0.000 0.896 257 L HN 0.059 nan 8.230 nan 0.000 0.432 258 S N -0.240 115.387 115.700 -0.122 0.000 2.368 258 S HA -0.140 4.329 4.470 -0.000 0.000 0.225 258 S C 1.787 176.094 174.600 -0.487 0.000 1.030 258 S CA 1.334 59.377 58.200 -0.261 0.000 0.999 258 S CB -0.405 62.664 63.200 -0.220 0.000 0.844 258 S HN 0.213 nan 8.310 nan 0.000 0.459 259 F N 2.204 121.901 119.950 -0.422 0.000 2.134 259 F HA -0.084 4.442 4.527 -0.000 0.000 0.299 259 F C 2.805 178.063 175.800 -0.903 0.000 1.097 259 F CA 0.941 58.569 58.000 -0.621 0.000 1.264 259 F CB -1.026 37.629 39.000 -0.576 0.000 1.001 259 F HN 0.094 nan 8.300 nan 0.000 0.479 260 S N -0.355 114.931 115.700 -0.689 0.000 2.368 260 S HA -0.225 4.245 4.470 -0.000 0.000 0.225 260 S C 1.992 176.349 174.600 -0.405 0.000 1.030 260 S CA 1.403 59.240 58.200 -0.606 0.000 0.999 260 S CB -0.379 62.469 63.200 -0.587 0.000 0.844 260 S HN 0.239 nan 8.310 nan 0.000 0.459 261 M N 1.726 121.012 119.600 -0.524 0.000 2.200 261 M HA 0.026 4.506 4.480 -0.000 0.000 0.265 261 M C 1.915 177.972 176.300 -0.406 0.000 1.066 261 M CA 1.312 56.226 55.300 -0.644 0.000 1.127 261 M CB -0.466 31.299 32.600 -1.392 0.000 1.379 261 M HN 0.338 nan 8.290 nan 0.000 0.420 262 E N -1.049 118.936 120.200 -0.357 0.000 2.077 262 E HA -0.251 4.099 4.350 -0.000 0.000 0.193 262 E C 1.937 178.434 176.600 -0.171 0.000 0.989 262 E CA 1.444 57.724 56.400 -0.199 0.000 0.800 262 E CB -0.362 29.273 29.700 -0.108 0.000 0.746 262 E HN 0.509 nan 8.360 nan 0.000 0.452 263 F N 1.357 121.097 119.950 -0.350 0.000 2.102 263 F HA -0.130 4.397 4.527 -0.000 0.000 0.298 263 F C 1.924 177.615 175.800 -0.181 0.000 1.105 263 F CA 1.360 59.205 58.000 -0.258 0.000 1.239 263 F CB -0.251 38.533 39.000 -0.360 0.000 0.991 263 F HN -0.006 nan 8.300 nan 0.000 0.474 264 L N 0.076 121.092 121.223 -0.344 0.000 2.083 264 L HA -0.178 4.162 4.340 -0.000 0.000 0.209 264 L C 2.798 179.337 176.870 -0.551 0.000 1.083 264 L CA 1.099 55.725 54.840 -0.357 0.000 0.752 264 L CB -1.280 40.757 42.059 -0.037 0.000 0.899 264 L HN 0.261 nan 8.230 nan 0.000 0.433 265 A N 0.114 122.636 122.820 -0.496 0.000 2.024 265 A HA -0.217 4.103 4.320 -0.000 0.000 0.220 265 A C 2.186 179.509 177.584 -0.435 0.000 1.164 265 A CA 1.706 53.387 52.037 -0.593 0.000 0.643 265 A CB -0.280 18.619 19.000 -0.169 0.000 0.806 265 A HN 0.364 nan 8.150 nan 0.000 0.451 266 K N -1.111 119.057 120.400 -0.387 0.000 2.374 266 K HA 0.160 4.480 4.320 -0.000 0.000 0.196 266 K C 0.236 176.631 176.600 -0.341 0.000 1.023 266 K CA 0.471 56.580 56.287 -0.296 0.000 1.103 266 K CB 0.476 32.854 32.500 -0.204 0.000 0.848 266 K HN 0.219 nan 8.250 nan 0.000 0.528 267 S N 1.075 116.495 115.700 -0.468 0.000 2.279 267 S HA 0.257 4.727 4.470 -0.000 0.000 0.176 267 S C -2.317 172.149 174.600 -0.223 0.000 1.554 267 S CA -1.770 56.220 58.200 -0.348 0.000 1.242 267 S CB 0.539 63.450 63.200 -0.482 0.000 1.163 267 S HN -0.132 nan 8.310 nan 0.000 0.449 268 P HA -0.168 nan 4.420 nan 0.000 0.218 268 P C 0.912 178.166 177.300 -0.078 0.000 1.154 268 P CA 1.477 64.497 63.100 -0.133 0.000 0.872 268 P CB 0.174 31.810 31.700 -0.105 0.000 0.790 269 E N -1.904 118.244 120.200 -0.087 0.000 2.150 269 E HA -0.182 4.167 4.350 -0.000 0.000 0.193 269 E C 1.901 178.419 176.600 -0.135 0.000 0.985 269 E CA 1.166 57.493 56.400 -0.122 0.000 0.814 269 E CB -1.011 28.574 29.700 -0.192 0.000 0.752 269 E HN 0.516 nan 8.360 nan 0.000 0.466 270 H N -0.171 118.883 119.070 -0.026 0.000 2.395 270 H HA 0.152 4.708 4.556 -0.000 0.000 0.299 270 H C 1.891 177.365 175.328 0.244 0.000 1.070 270 H CA 1.110 57.218 56.048 0.101 0.000 1.356 270 H CB 0.167 29.985 29.762 0.093 0.000 1.401 270 H HN -0.017 nan 8.280 nan 0.000 0.524 271 R N 0.338 120.955 120.500 0.195 0.000 2.073 271 R HA -0.149 4.191 4.340 -0.000 0.000 0.234 271 R C 2.132 178.510 176.300 0.130 0.000 1.134 271 R CA 1.218 57.407 56.100 0.148 0.000 0.952 271 R CB -0.110 30.216 30.300 0.043 0.000 0.850 271 R HN 0.311 nan 8.270 nan 0.000 0.433 272 Q N 0.746 120.593 119.800 0.078 0.000 2.096 272 Q HA -0.190 4.150 4.340 -0.000 0.000 0.204 272 Q C 1.862 177.911 176.000 0.081 0.000 0.982 272 Q CA 1.437 57.275 55.803 0.059 0.000 0.850 272 Q CB -0.143 28.608 28.738 0.023 0.000 0.901 272 Q HN 0.428 nan 8.270 nan 0.000 0.422 273 E N -0.094 120.175 120.200 0.115 0.000 2.085 273 E HA -0.167 4.183 4.350 -0.000 0.000 0.194 273 E C 2.035 178.728 176.600 0.156 0.000 0.994 273 E CA 0.898 57.387 56.400 0.149 0.000 0.801 273 E CB -0.004 29.837 29.700 0.235 0.000 0.743 273 E HN 0.300 nan 8.360 nan 0.000 0.453 274 L N 0.311 121.639 121.223 0.175 0.000 2.156 274 L HA -0.111 4.229 4.340 -0.000 0.000 0.208 274 L C 2.448 179.361 176.870 0.072 0.000 1.095 274 L CA 0.498 55.399 54.840 0.101 0.000 0.770 274 L CB -0.265 41.842 42.059 0.079 0.000 0.914 274 L HN 0.202 nan 8.230 nan 0.000 0.439 275 I N 0.334 120.952 120.570 0.079 0.000 2.179 275 I HA -0.274 3.895 4.170 -0.000 0.000 0.242 275 I C 2.572 178.716 176.117 0.045 0.000 1.088 275 I CA 1.614 62.949 61.300 0.057 0.000 1.357 275 I CB -0.203 37.831 38.000 0.057 0.000 1.051 275 I HN 0.358 nan 8.210 nan 0.000 0.409 276 E N 0.706 120.935 120.200 0.049 0.000 2.230 276 E HA -0.031 4.318 4.350 -0.000 0.000 0.192 276 E C 0.643 177.267 176.600 0.040 0.000 0.987 276 E CA 0.514 56.938 56.400 0.040 0.000 0.841 276 E CB 0.044 29.765 29.700 0.035 0.000 0.783 276 E HN 0.383 nan 8.360 nan 0.000 0.481 277 R N 0.982 121.512 120.500 0.050 0.000 2.629 277 R HA 0.204 4.543 4.340 -0.000 0.000 0.277 277 R C -2.302 174.022 176.300 0.041 0.000 1.637 277 R CA -1.507 54.621 56.100 0.047 0.000 1.663 277 R CB 1.114 31.449 30.300 0.060 0.000 1.228 277 R HN 0.043 nan 8.270 nan 0.000 0.632 278 P HA -0.194 nan 4.420 nan 0.000 0.223 278 P C 1.197 178.508 177.300 0.018 0.000 1.144 278 P CA 1.023 64.137 63.100 0.023 0.000 0.783 278 P CB 0.314 32.028 31.700 0.023 0.000 0.771 279 E N 0.140 120.354 120.200 0.023 0.000 2.409 279 E HA -0.159 4.191 4.350 -0.000 0.000 0.198 279 E C 1.538 178.150 176.600 0.019 0.000 1.024 279 E CA 0.945 57.359 56.400 0.022 0.000 0.861 279 E CB -0.655 29.061 29.700 0.027 0.000 0.788 279 E HN 0.322 nan 8.360 nan 0.000 0.521 280 R N 0.118 120.626 120.500 0.014 0.000 2.246 280 R HA 0.253 4.593 4.340 -0.000 0.000 0.199 280 R C 2.440 178.699 176.300 -0.068 0.000 0.984 280 R CA 0.209 56.309 56.100 -0.001 0.000 1.015 280 R CB -0.155 30.165 30.300 0.034 0.000 0.930 280 R HN 0.177 nan 8.270 nan 0.000 0.475 281 I N 1.661 122.194 120.570 -0.062 0.000 2.145 281 I HA -0.273 3.897 4.170 -0.000 0.000 0.244 281 I C -0.822 175.252 176.117 -0.070 0.000 1.075 281 I CA 1.773 63.020 61.300 -0.088 0.000 1.332 281 I CB -1.047 36.932 38.000 -0.035 0.000 1.033 281 I HN 0.077 nan 8.210 nan 0.000 0.410 282 P HA -0.193 nan 4.420 nan 0.000 0.214 282 P C 1.513 178.819 177.300 0.010 0.000 1.163 282 P CA 2.007 65.115 63.100 0.012 0.000 0.883 282 P CB -0.075 31.641 31.700 0.027 0.000 0.788 283 A N 0.114 122.935 122.820 0.002 0.000 1.883 283 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 283 A C 2.374 179.955 177.584 -0.004 0.000 1.186 283 A CA 2.516 54.568 52.037 0.024 0.000 0.624 283 A CB -1.735 17.292 19.000 0.045 0.000 0.822 283 A HN 0.202 nan 8.150 nan 0.000 0.444 284 A N -1.317 121.392 122.820 -0.185 0.000 1.972 284 A HA -0.199 4.121 4.320 -0.000 0.000 0.219 284 A C 2.384 179.876 177.584 -0.154 0.000 1.169 284 A CA 1.715 53.456 52.037 -0.493 0.000 0.635 284 A CB -1.394 16.823 19.000 -1.306 0.000 0.810 284 A HN 0.825 nan 8.150 nan 0.000 0.446 285 C N -0.631 118.633 119.300 -0.060 0.000 2.429 285 C HA -0.082 4.377 4.460 -0.000 0.000 0.277 285 C C 2.614 177.660 174.990 0.093 0.000 1.262 285 C CA 1.564 60.620 59.018 0.064 0.000 1.733 285 C CB -1.059 26.725 27.740 0.073 0.000 2.010 285 C HN 0.619 nan 8.230 nan 0.000 0.483 286 E N 0.626 120.878 120.200 0.088 0.000 2.077 286 E HA -0.169 4.181 4.350 -0.000 0.000 0.193 286 E C 1.983 178.644 176.600 0.102 0.000 0.989 286 E CA 1.493 57.967 56.400 0.122 0.000 0.800 286 E CB -0.624 29.180 29.700 0.173 0.000 0.746 286 E HN 0.773 nan 8.360 nan 0.000 0.452 287 E N 0.790 121.067 120.200 0.128 0.000 2.077 287 E HA -0.104 4.246 4.350 -0.000 0.000 0.193 287 E C 2.144 178.797 176.600 0.088 0.000 0.989 287 E CA 0.858 57.336 56.400 0.131 0.000 0.800 287 E CB -0.323 29.531 29.700 0.256 0.000 0.746 287 E HN 0.200 nan 8.360 nan 0.000 0.452 288 L N -0.099 121.240 121.223 0.194 0.000 2.093 288 L HA -0.120 4.220 4.340 -0.000 0.000 0.208 288 L C 2.533 179.625 176.870 0.370 0.000 1.085 288 L CA 0.775 55.809 54.840 0.324 0.000 0.755 288 L CB -0.397 41.919 42.059 0.428 0.000 0.904 288 L HN 0.188 nan 8.230 nan 0.000 0.435 289 L N -0.551 120.750 121.223 0.129 0.000 2.083 289 L HA -0.224 4.116 4.340 -0.000 0.000 0.209 289 L C 2.875 179.499 176.870 -0.410 0.000 1.083 289 L CA 1.193 55.839 54.840 -0.323 0.000 0.752 289 L CB -0.469 41.204 42.059 -0.643 0.000 0.899 289 L HN 0.263 nan 8.230 nan 0.000 0.433 290 R N 0.255 120.564 120.500 -0.319 0.000 2.070 290 R HA -0.221 4.118 4.340 -0.000 0.000 0.232 290 R C 2.501 178.646 176.300 -0.258 0.000 1.138 290 R CA 1.767 57.737 56.100 -0.217 0.000 0.936 290 R CB -0.139 30.139 30.300 -0.037 0.000 0.839 290 R HN 0.064 nan 8.270 nan 0.000 0.429 291 R N -0.086 120.210 120.500 -0.340 0.000 2.092 291 R HA -0.079 4.261 4.340 -0.000 0.000 0.231 291 R C 0.893 176.626 176.300 -0.944 0.000 1.119 291 R CA 1.610 57.299 56.100 -0.685 0.000 0.970 291 R CB -0.227 29.492 30.300 -0.969 0.000 0.864 291 R HN 0.254 nan 8.270 nan 0.000 0.440 292 F N 0.209 120.071 119.950 -0.147 0.000 2.750 292 F HA 0.419 4.946 4.527 -0.000 0.000 0.297 292 F C 0.508 176.201 175.800 -0.178 0.000 1.138 292 F CA -0.475 57.386 58.000 -0.231 0.000 1.346 292 F CB -0.116 38.737 39.000 -0.244 0.000 0.965 292 F HN -0.158 nan 8.300 nan 0.000 0.514 293 S N 1.842 117.438 115.700 -0.173 0.000 2.561 293 S HA 0.131 4.601 4.470 -0.000 0.000 0.294 293 S C 0.895 175.317 174.600 -0.296 0.000 1.294 293 S CA 0.136 58.188 58.200 -0.248 0.000 1.055 293 S CB 0.338 63.367 63.200 -0.285 0.000 0.819 293 S HN 0.572 nan 8.310 nan 0.000 0.503 294 L N 2.654 123.731 121.223 -0.244 0.000 3.515 294 L HA 0.608 4.948 4.340 -0.000 0.000 0.322 294 L C -0.761 175.987 176.870 -0.204 0.000 1.225 294 L CA -0.527 54.174 54.840 -0.232 0.000 1.104 294 L CB 0.354 42.407 42.059 -0.010 0.000 1.506 294 L HN 0.346 nan 8.230 nan 0.000 0.624 295 V N 1.870 121.660 119.914 -0.206 0.000 2.547 295 V HA 0.853 4.973 4.120 -0.000 0.000 0.299 295 V C 0.109 176.096 176.094 -0.180 0.000 1.040 295 V CA -0.008 62.211 62.300 -0.134 0.000 0.913 295 V CB 1.668 33.446 31.823 -0.075 0.000 0.992 295 V HN 0.347 nan 8.190 nan 0.000 0.449 296 A N 3.824 126.581 122.820 -0.106 0.000 2.499 296 A HA 0.753 5.073 4.320 -0.000 0.000 0.280 296 A C -0.884 176.785 177.584 0.143 0.000 1.135 296 A CA -0.600 51.413 52.037 -0.039 0.000 0.744 296 A CB 0.843 19.737 19.000 -0.176 0.000 1.213 296 A HN 0.856 nan 8.150 nan 0.000 0.434 297 D N 1.452 121.963 120.400 0.184 0.000 2.758 297 D HA 0.845 5.485 4.640 -0.000 0.000 0.262 297 D C 0.373 176.758 176.300 0.140 0.000 1.113 297 D CA 0.030 54.159 54.000 0.214 0.000 1.114 297 D CB 1.122 42.077 40.800 0.259 0.000 1.363 297 D HN 0.752 nan 8.370 nan 0.000 0.617 298 G N -1.711 107.104 108.800 0.025 0.000 2.846 298 G HA2 0.639 4.599 3.960 -0.000 0.000 0.299 298 G HA3 0.639 4.599 3.960 -0.000 0.000 0.299 298 G C -1.047 173.833 174.900 -0.033 0.000 1.242 298 G CA -0.812 44.292 45.100 0.007 0.000 0.800 298 G HN 0.426 nan 8.290 nan 0.000 0.538 299 R N -1.199 119.297 120.500 -0.007 0.000 2.817 299 R HA 0.606 4.945 4.340 -0.000 0.000 0.268 299 R C -1.441 174.920 176.300 0.101 0.000 1.027 299 R CA -0.755 55.373 56.100 0.046 0.000 0.928 299 R CB 1.899 32.265 30.300 0.111 0.000 1.228 299 R HN 0.559 nan 8.270 nan 0.000 0.469 300 I N 1.403 122.033 120.570 0.100 0.000 2.530 300 I HA 0.277 4.446 4.170 -0.000 0.000 0.297 300 I C -0.682 175.487 176.117 0.086 0.000 1.011 300 I CA -1.087 60.272 61.300 0.098 0.000 1.107 300 I CB 1.352 39.380 38.000 0.045 0.000 1.285 300 I HN 0.211 nan 8.210 nan 0.000 0.436 301 L N 6.347 127.626 121.223 0.094 0.000 2.367 301 L HA 0.153 4.493 4.340 -0.000 0.000 0.275 301 L C 1.529 178.384 176.870 -0.025 0.000 1.129 301 L CA 0.439 55.272 54.840 -0.011 0.000 0.839 301 L CB 1.113 43.196 42.059 0.038 0.000 1.133 301 L HN 0.808 nan 8.230 nan 0.000 0.453 302 T N -1.491 113.010 114.554 -0.088 0.000 3.054 302 T HA 0.072 4.421 4.350 -0.000 0.000 0.259 302 T C 0.754 175.422 174.700 -0.053 0.000 1.092 302 T CA 0.508 62.566 62.100 -0.070 0.000 1.121 302 T CB 0.230 69.036 68.868 -0.103 0.000 0.912 302 T HN 0.622 nan 8.240 nan 0.000 0.489 303 S N -0.145 115.528 115.700 -0.045 0.000 2.643 303 S HA 0.491 4.961 4.470 -0.000 0.000 0.270 303 S C -2.109 172.508 174.600 0.030 0.000 1.166 303 S CA -1.122 57.075 58.200 -0.005 0.000 0.815 303 S CB 1.026 64.227 63.200 0.001 0.000 1.139 303 S HN 0.051 nan 8.310 nan 0.000 0.472 304 D N 1.179 121.601 120.400 0.037 0.000 2.458 304 D HA 0.494 5.134 4.640 -0.000 0.000 0.243 304 D C -0.941 175.431 176.300 0.120 0.000 1.146 304 D CA 1.048 55.075 54.000 0.045 0.000 0.877 304 D CB 0.053 40.861 40.800 0.013 0.000 1.176 304 D HN 0.520 nan 8.370 nan 0.000 0.461 305 Y N 0.525 120.763 120.300 -0.104 0.000 2.480 305 Y HA 0.179 4.729 4.550 -0.001 0.000 0.329 305 Y C -1.317 174.509 175.900 -0.123 0.000 1.127 305 Y CA -0.960 57.033 58.100 -0.178 0.000 1.037 305 Y CB 1.417 39.658 38.460 -0.364 0.000 1.320 305 Y HN 0.309 nan 8.280 nan 0.000 0.446 306 E N 6.127 125.931 120.200 -0.660 0.000 2.081 306 E HA 0.333 4.682 4.350 -0.000 0.000 0.276 306 E C -1.936 174.216 176.600 -0.745 0.000 0.950 306 E CA -0.562 55.531 56.400 -0.513 0.000 0.776 306 E CB 0.602 30.115 29.700 -0.310 0.000 1.094 306 E HN 0.455 nan 8.360 nan 0.000 0.402 307 F N 5.457 125.042 119.950 -0.609 0.000 2.403 307 F HA 0.257 4.784 4.527 -0.001 0.000 0.355 307 F C -0.260 175.450 175.800 -0.150 0.000 1.119 307 F CA -0.575 57.193 58.000 -0.388 0.000 1.007 307 F CB 0.439 39.396 39.000 -0.072 0.000 1.194 307 F HN 0.627 nan 8.300 nan 0.000 0.443 308 H N 4.118 122.902 119.070 -0.476 0.000 2.692 308 H HA -0.189 4.367 4.556 0.000 0.000 0.316 308 H C 1.441 176.622 175.328 -0.245 0.000 1.176 308 H CA 1.045 56.844 56.048 -0.415 0.000 1.142 308 H CB -1.139 28.276 29.762 -0.578 0.000 1.475 308 H HN 1.184 nan 8.280 nan 0.000 0.423 309 G N -1.164 107.534 108.800 -0.170 0.000 2.189 309 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.267 309 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.267 309 G C 0.348 175.200 174.900 -0.080 0.000 0.975 309 G CA 0.433 45.469 45.100 -0.107 0.000 0.644 309 G HN 0.505 nan 8.290 nan 0.000 0.537 310 V N 0.936 120.788 119.914 -0.104 0.000 2.483 310 V HA 0.519 4.639 4.120 -0.000 0.000 0.295 310 V C 0.342 176.348 176.094 -0.147 0.000 1.035 310 V CA -1.000 61.230 62.300 -0.118 0.000 0.896 310 V CB 1.921 33.626 31.823 -0.196 0.000 0.986 310 V HN 0.260 nan 8.190 nan 0.000 0.447 311 Q N 3.933 123.689 119.800 -0.075 0.000 2.314 311 Q HA 0.469 4.809 4.340 -0.000 0.000 0.257 311 Q C -0.970 175.050 176.000 0.033 0.000 0.975 311 Q CA -0.030 55.758 55.803 -0.025 0.000 0.933 311 Q CB 1.315 30.075 28.738 0.037 0.000 1.195 311 Q HN 0.583 nan 8.270 nan 0.000 0.426 312 L N 2.699 123.905 121.223 -0.029 0.000 2.309 312 L HA 0.501 4.841 4.340 -0.000 0.000 0.282 312 L C 0.369 177.301 176.870 0.104 0.000 1.036 312 L CA -0.624 54.253 54.840 0.062 0.000 0.806 312 L CB 1.217 43.233 42.059 -0.071 0.000 1.220 312 L HN 0.229 nan 8.230 nan 0.000 0.429 313 K N 2.142 122.627 120.400 0.142 0.000 2.156 313 K HA 0.304 4.624 4.320 -0.000 0.000 0.254 313 K C -0.446 176.183 176.600 0.049 0.000 0.950 313 K CA -0.967 55.296 56.287 -0.040 0.000 0.849 313 K CB 2.173 34.423 32.500 -0.417 0.000 1.100 313 K HN 0.416 nan 8.250 nan 0.000 0.434 314 K N 0.621 121.027 120.400 0.010 0.000 2.511 314 K HA -0.125 4.195 4.320 -0.000 0.000 0.280 314 K C 0.685 177.317 176.600 0.053 0.000 1.008 314 K CA 1.522 57.823 56.287 0.024 0.000 1.050 314 K CB -0.010 32.492 32.500 0.003 0.000 0.889 314 K HN 0.862 nan 8.250 nan 0.000 0.484 315 G N 3.164 112.009 108.800 0.075 0.000 2.195 315 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.246 315 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.246 315 G C -0.324 174.676 174.900 0.167 0.000 0.984 315 G CA 0.166 45.322 45.100 0.094 0.000 0.633 315 G HN 0.716 nan 8.290 nan 0.000 0.525 316 D N 1.332 121.882 120.400 0.250 0.000 2.382 316 D HA 0.438 5.078 4.640 -0.000 0.000 0.245 316 D C 0.824 177.341 176.300 0.361 0.000 1.120 316 D CA 0.408 54.664 54.000 0.427 0.000 0.890 316 D CB 0.677 41.917 40.800 0.733 0.000 1.201 316 D HN 0.496 nan 8.370 nan 0.000 0.433 317 Q N 0.800 120.797 119.800 0.328 0.000 2.214 317 Q HA 0.623 4.963 4.340 -0.000 0.000 0.251 317 Q C -0.396 175.814 176.000 0.351 0.000 0.936 317 Q CA -0.625 55.320 55.803 0.236 0.000 0.894 317 Q CB 2.534 31.330 28.738 0.097 0.000 1.252 317 Q HN 0.447 nan 8.270 nan 0.000 0.448 318 I N 2.659 123.399 120.570 0.283 0.000 2.512 318 I HA 0.226 4.396 4.170 -0.000 0.000 0.287 318 I C -1.631 174.568 176.117 0.136 0.000 1.069 318 I CA -1.046 60.438 61.300 0.306 0.000 1.056 318 I CB 1.300 39.480 38.000 0.300 0.000 1.229 318 I HN 0.512 nan 8.210 nan 0.000 0.429 319 L N 8.402 129.727 121.223 0.170 0.000 2.360 319 L HA 0.366 4.705 4.340 -0.000 0.000 0.276 319 L C -1.078 175.841 176.870 0.081 0.000 1.121 319 L CA 0.358 55.270 54.840 0.119 0.000 0.845 319 L CB 0.648 42.824 42.059 0.195 0.000 1.143 319 L HN 0.534 nan 8.230 nan 0.000 0.452 320 L N 7.729 128.965 121.223 0.022 0.000 2.502 320 L HA 0.378 4.718 4.340 -0.000 0.000 0.247 320 L C -2.166 174.779 176.870 0.125 0.000 1.180 320 L CA -1.693 53.106 54.840 -0.067 0.000 0.956 320 L CB 0.828 42.573 42.059 -0.523 0.000 1.282 320 L HN 0.496 nan 8.230 nan 0.000 0.470 321 P HA 0.015 nan 4.420 nan 0.000 0.258 321 P C 0.307 177.629 177.300 0.038 0.000 1.214 321 P CA 0.151 63.304 63.100 0.088 0.000 0.872 321 P CB 0.710 32.509 31.700 0.165 0.000 0.890 322 Q N 2.580 122.404 119.800 0.041 0.000 2.181 322 Q HA -0.205 4.135 4.340 -0.000 0.000 0.205 322 Q C 1.914 177.864 176.000 -0.084 0.000 0.980 322 Q CA 1.622 57.429 55.803 0.007 0.000 0.862 322 Q CB -0.534 28.178 28.738 -0.044 0.000 0.905 322 Q HN 0.507 nan 8.270 nan 0.000 0.429 323 M N -0.279 119.217 119.600 -0.174 0.000 2.106 323 M HA -0.237 4.243 4.480 -0.000 0.000 0.259 323 M C 1.506 177.706 176.300 -0.166 0.000 1.068 323 M CA 1.575 56.729 55.300 -0.244 0.000 1.100 323 M CB -0.044 32.292 32.600 -0.440 0.000 1.351 323 M HN 0.301 nan 8.290 nan 0.000 0.404 324 L N -0.798 120.364 121.223 -0.102 0.000 2.156 324 L HA -0.155 4.184 4.340 -0.000 0.000 0.208 324 L C 2.407 179.244 176.870 -0.056 0.000 1.095 324 L CA 0.879 55.687 54.840 -0.054 0.000 0.770 324 L CB -0.601 41.456 42.059 -0.003 0.000 0.914 324 L HN 0.317 nan 8.230 nan 0.000 0.439 325 S N 0.438 116.110 115.700 -0.046 0.000 2.365 325 S HA -0.192 4.278 4.470 -0.000 0.000 0.225 325 S C 1.944 176.516 174.600 -0.046 0.000 1.039 325 S CA 1.569 59.742 58.200 -0.045 0.000 1.033 325 S CB -0.709 62.469 63.200 -0.035 0.000 0.887 325 S HN 0.616 nan 8.310 nan 0.000 0.447 326 G N 0.585 109.360 108.800 -0.042 0.000 2.572 326 G HA2 0.095 4.054 3.960 -0.000 0.000 0.216 326 G HA3 0.095 4.054 3.960 -0.000 0.000 0.216 326 G C 1.113 175.971 174.900 -0.070 0.000 1.133 326 G CA 0.084 45.163 45.100 -0.035 0.000 0.791 326 G HN 0.454 nan 8.290 nan 0.000 0.538 327 L N 0.215 121.387 121.223 -0.085 0.000 2.567 327 L HA 0.182 4.522 4.340 -0.000 0.000 0.225 327 L C 0.482 177.312 176.870 -0.067 0.000 1.119 327 L CA -0.270 54.515 54.840 -0.091 0.000 0.871 327 L CB 0.077 42.077 42.059 -0.098 0.000 1.036 327 L HN 0.017 nan 8.230 nan 0.000 0.459 328 D N 1.504 121.867 120.400 -0.061 0.000 2.371 328 D HA -0.059 4.581 4.640 -0.000 0.000 0.256 328 D C 1.394 177.664 176.300 -0.050 0.000 1.193 328 D CA 0.021 53.987 54.000 -0.058 0.000 0.881 328 D CB 1.092 41.855 40.800 -0.062 0.000 1.143 328 D HN 0.183 nan 8.370 nan 0.000 0.473 329 E N 4.680 124.853 120.200 -0.046 0.000 2.204 329 E HA -0.231 4.119 4.350 -0.000 0.000 0.195 329 E C 1.170 177.749 176.600 -0.035 0.000 0.990 329 E CA 0.895 57.273 56.400 -0.037 0.000 0.821 329 E CB -0.232 29.447 29.700 -0.034 0.000 0.750 329 E HN 0.543 nan 8.360 nan 0.000 0.477 330 R N 0.392 120.867 120.500 -0.041 0.000 2.235 330 R HA 0.011 4.350 4.340 -0.000 0.000 0.213 330 R C 1.943 178.221 176.300 -0.036 0.000 1.059 330 R CA 1.033 57.109 56.100 -0.039 0.000 0.997 330 R CB 0.094 30.365 30.300 -0.048 0.000 0.884 330 R HN 0.195 nan 8.270 nan 0.000 0.462 331 E N 0.037 120.215 120.200 -0.038 0.000 2.162 331 E HA 0.115 4.464 4.350 -0.000 0.000 0.193 331 E C 0.027 176.612 176.600 -0.026 0.000 0.953 331 E CA 0.531 56.910 56.400 -0.035 0.000 0.849 331 E CB 0.324 29.999 29.700 -0.042 0.000 0.810 331 E HN 0.210 nan 8.360 nan 0.000 0.470 332 N N 0.526 119.211 118.700 -0.025 0.000 2.371 332 N HA 0.371 5.111 4.740 -0.000 0.000 0.291 332 N C -0.921 174.582 175.510 -0.013 0.000 1.053 332 N CA -0.200 52.840 53.050 -0.016 0.000 0.870 332 N CB 2.446 40.921 38.487 -0.020 0.000 1.503 332 N HN -0.034 nan 8.380 nan 0.000 0.485 333 A N 0.629 123.448 122.820 -0.002 0.000 2.483 333 A HA 0.222 4.542 4.320 -0.000 0.000 0.238 333 A C 0.709 178.301 177.584 0.012 0.000 1.070 333 A CA -0.092 51.945 52.037 0.001 0.000 0.770 333 A CB -0.283 18.720 19.000 0.006 0.000 1.008 333 A HN 0.967 nan 8.150 nan 0.000 0.497 334 C N 2.162 121.465 119.300 0.006 0.000 2.977 334 C HA -0.105 4.355 4.460 -0.000 0.000 0.252 334 C C -0.400 174.608 174.990 0.030 0.000 1.310 334 C CA -0.154 58.874 59.018 0.018 0.000 2.393 334 C CB -2.473 25.278 27.740 0.018 0.000 1.512 334 C HN 0.853 nan 8.230 nan 0.000 0.453 335 P HA -0.198 nan 4.420 nan 0.000 0.216 335 P C 1.479 178.729 177.300 -0.084 0.000 1.153 335 P CA 1.753 64.824 63.100 -0.048 0.000 0.858 335 P CB -0.017 31.649 31.700 -0.058 0.000 0.789 336 M N -1.742 117.824 119.600 -0.056 0.000 2.619 336 M HA 0.020 4.500 4.480 -0.000 0.000 0.251 336 M C 0.874 177.143 176.300 -0.051 0.000 1.106 336 M CA 0.418 55.669 55.300 -0.080 0.000 1.086 336 M CB -1.847 30.732 32.600 -0.035 0.000 1.465 336 M HN 0.045 nan 8.290 nan 0.000 0.506 337 H N 0.601 119.605 119.070 -0.110 0.000 2.527 337 H HA 0.416 4.972 4.556 -0.000 0.000 0.321 337 H C -1.055 174.183 175.328 -0.149 0.000 1.087 337 H CA -0.494 55.502 56.048 -0.086 0.000 1.337 337 H CB 0.911 30.652 29.762 -0.036 0.000 1.440 337 H HN -0.163 nan 8.280 nan 0.000 0.490 338 V N 5.962 125.481 119.914 -0.659 0.000 2.385 338 V HA 0.163 4.283 4.120 -0.000 0.000 0.269 338 V C -0.053 175.620 176.094 -0.703 0.000 1.043 338 V CA -0.308 61.580 62.300 -0.686 0.000 0.906 338 V CB 0.770 32.012 31.823 -0.969 0.000 0.995 338 V HN 0.806 nan 8.190 nan 0.000 0.467 339 D N 3.889 124.034 120.400 -0.425 0.000 2.620 339 D HA 0.367 5.007 4.640 -0.000 0.000 0.252 339 D C 0.225 176.548 176.300 0.039 0.000 1.207 339 D CA -0.584 53.290 54.000 -0.209 0.000 0.884 339 D CB 1.421 42.180 40.800 -0.069 0.000 1.262 339 D HN 0.218 nan 8.370 nan 0.000 0.552 340 F N 1.311 121.309 119.950 0.079 0.000 2.661 340 F HA 0.013 4.540 4.527 -0.000 0.000 0.298 340 F C 2.165 178.003 175.800 0.065 0.000 1.137 340 F CA 0.329 58.379 58.000 0.083 0.000 1.454 340 F CB -0.473 38.603 39.000 0.125 0.000 1.103 340 F HN 0.316 nan 8.300 nan 0.000 0.577 341 S N -0.756 115.071 115.700 0.211 0.000 2.574 341 S HA 0.241 4.710 4.470 -0.000 0.000 0.242 341 S C 0.495 175.157 174.600 0.104 0.000 0.982 341 S CA -0.697 57.589 58.200 0.142 0.000 0.977 341 S CB -0.332 62.938 63.200 0.116 0.000 0.814 341 S HN 0.102 nan 8.310 nan 0.000 0.464 342 R N 1.726 122.287 120.500 0.102 0.000 2.585 342 R HA 0.117 4.457 4.340 -0.000 0.000 0.275 342 R C 1.026 177.365 176.300 0.064 0.000 1.018 342 R CA -0.142 56.003 56.100 0.075 0.000 1.072 342 R CB 0.340 30.680 30.300 0.066 0.000 0.953 342 R HN 0.304 nan 8.270 nan 0.000 0.419 343 Q N 1.758 121.588 119.800 0.050 0.000 2.124 343 Q HA -0.110 4.229 4.340 -0.000 0.000 0.202 343 Q C 0.322 176.343 176.000 0.035 0.000 0.977 343 Q CA 1.590 57.417 55.803 0.041 0.000 0.850 343 Q CB 0.106 28.863 28.738 0.032 0.000 0.901 343 Q HN 0.389 nan 8.270 nan 0.000 0.429 344 K N 0.151 120.570 120.400 0.032 0.000 2.601 344 K HA 0.275 4.595 4.320 -0.000 0.000 0.249 344 K C -1.607 175.007 176.600 0.023 0.000 0.966 344 K CA -0.282 56.019 56.287 0.022 0.000 0.827 344 K CB 1.763 34.270 32.500 0.011 0.000 1.178 344 K HN -0.210 nan 8.250 nan 0.000 0.437 345 V N 2.977 122.909 119.914 0.030 0.000 2.334 345 V HA 0.219 4.339 4.120 -0.000 0.000 0.267 345 V C 0.121 176.212 176.094 -0.005 0.000 1.040 345 V CA -0.516 61.812 62.300 0.048 0.000 0.866 345 V CB 1.011 32.896 31.823 0.103 0.000 1.019 345 V HN 0.735 nan 8.190 nan 0.000 0.468 346 S N 5.273 120.966 115.700 -0.012 0.000 2.438 346 S HA 0.701 5.171 4.470 -0.000 0.000 0.316 346 S C -0.585 173.995 174.600 -0.033 0.000 1.084 346 S CA -0.505 57.653 58.200 -0.070 0.000 1.107 346 S CB 0.053 63.226 63.200 -0.046 0.000 0.981 346 S HN 1.065 nan 8.310 nan 0.000 0.466 347 H N 0.309 119.358 119.070 -0.037 0.000 2.960 347 H HA 0.658 5.214 4.556 -0.000 0.000 0.323 347 H C -0.353 174.949 175.328 -0.043 0.000 1.326 347 H CA -0.500 55.509 56.048 -0.065 0.000 1.124 347 H CB 1.068 30.767 29.762 -0.104 0.000 1.853 347 H HN 0.272 nan 8.280 nan 0.000 0.536 348 T N -2.609 112.038 114.554 0.156 0.000 3.633 348 T HA 0.171 4.521 4.350 -0.000 0.000 0.278 348 T C 0.378 175.122 174.700 0.073 0.000 0.991 348 T CA 0.027 62.197 62.100 0.117 0.000 1.036 348 T CB -0.491 68.410 68.868 0.056 0.000 1.148 348 T HN 0.613 nan 8.240 nan 0.000 0.501 349 T N 1.312 115.926 114.554 0.099 0.000 2.759 349 T HA 0.015 4.365 4.350 -0.000 0.000 0.269 349 T C 0.497 174.957 174.700 -0.400 0.000 1.042 349 T CA 1.440 63.333 62.100 -0.346 0.000 1.140 349 T CB -0.383 67.993 68.868 -0.820 0.000 0.864 349 T HN 0.535 nan 8.240 nan 0.000 0.455 350 F N 1.052 120.998 119.950 -0.007 0.000 2.645 350 F HA 0.464 4.991 4.527 -0.000 0.000 0.300 350 F C 1.586 177.353 175.800 -0.055 0.000 1.115 350 F CA -0.148 57.823 58.000 -0.049 0.000 1.355 350 F CB -0.444 38.522 39.000 -0.057 0.000 1.026 350 F HN 0.302 nan 8.300 nan 0.000 0.536 351 G N -0.002 108.825 108.800 0.045 0.000 2.660 351 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.247 351 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.247 351 G C -1.451 173.467 174.900 0.028 0.000 1.328 351 G CA -0.627 44.424 45.100 -0.080 0.000 0.884 351 G HN 0.524 nan 8.290 nan 0.000 0.531 352 H N -1.198 117.758 119.070 -0.189 0.000 3.068 352 H HA 0.675 5.231 4.556 -0.000 0.000 0.342 352 H C 0.595 175.924 175.328 0.001 0.000 1.284 352 H CA 1.889 57.910 56.048 -0.044 0.000 1.181 352 H CB 1.285 31.075 29.762 0.046 0.000 1.898 352 H HN 2.645 nan 8.280 nan 0.000 0.540 353 G N 0.958 109.524 108.800 -0.390 0.000 2.499 353 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.232 353 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.232 353 G C 1.104 175.964 174.900 -0.066 0.000 1.251 353 G CA 0.647 45.680 45.100 -0.111 0.000 0.917 353 G HN 1.399 nan 8.290 nan 0.000 0.580 354 S N -0.921 114.777 115.700 -0.004 0.000 2.481 354 S HA 0.009 4.479 4.470 -0.000 0.000 0.231 354 S C 1.335 175.798 174.600 -0.228 0.000 0.996 354 S CA 1.715 59.831 58.200 -0.141 0.000 0.942 354 S CB -0.214 62.850 63.200 -0.225 0.000 0.768 354 S HN 0.726 nan 8.310 nan 0.000 0.520 355 H N 0.447 119.494 119.070 -0.040 0.000 2.519 355 H HA 0.343 4.899 4.556 -0.000 0.000 0.289 355 H C 0.098 175.394 175.328 -0.052 0.000 1.040 355 H CA -0.552 55.471 56.048 -0.042 0.000 1.165 355 H CB -0.092 29.646 29.762 -0.040 0.000 1.462 355 H HN 0.296 nan 8.280 nan 0.000 0.555 356 L N 1.476 122.709 121.223 0.017 0.000 2.628 356 L HA -0.129 4.211 4.340 -0.000 0.000 0.292 356 L C 0.462 177.341 176.870 0.015 0.000 1.250 356 L CA 0.363 55.205 54.840 0.003 0.000 0.892 356 L CB 0.035 42.075 42.059 -0.030 0.000 1.138 356 L HN 0.287 nan 8.230 nan 0.000 0.502 357 C N 6.035 125.353 119.300 0.030 0.000 2.633 357 C HA 0.050 4.509 4.460 -0.000 0.000 0.415 357 C C 1.959 176.900 174.990 -0.081 0.000 1.393 357 C CA -0.365 58.661 59.018 0.013 0.000 1.700 357 C CB -1.133 26.628 27.740 0.035 0.000 2.541 357 C HN 0.880 nan 8.230 nan 0.000 0.603 358 L N 4.561 125.769 121.223 -0.025 0.000 2.179 358 L HA 0.101 4.441 4.340 -0.000 0.000 0.208 358 L C 2.421 179.271 176.870 -0.034 0.000 1.096 358 L CA 1.443 56.278 54.840 -0.009 0.000 0.779 358 L CB -0.364 41.714 42.059 0.031 0.000 0.922 358 L HN 0.965 nan 8.230 nan 0.000 0.443 359 G N -0.621 108.141 108.800 -0.062 0.000 3.124 359 G HA2 -0.099 3.860 3.960 -0.000 0.000 0.212 359 G HA3 -0.099 3.860 3.960 -0.000 0.000 0.212 359 G C 1.333 176.098 174.900 -0.225 0.000 1.181 359 G CA 0.034 45.092 45.100 -0.070 0.000 0.803 359 G HN 0.538 nan 8.290 nan 0.000 0.529 360 Q N -0.337 119.153 119.800 -0.517 0.000 2.119 360 Q HA -0.158 4.182 4.340 -0.000 0.000 0.201 360 Q C 1.767 177.334 176.000 -0.721 0.000 0.972 360 Q CA 1.161 56.300 55.803 -1.106 0.000 0.847 360 Q CB -0.562 27.135 28.738 -1.736 0.000 0.903 360 Q HN 0.523 nan 8.270 nan 0.000 0.433 361 H N 0.440 119.339 119.070 -0.285 0.000 2.357 361 H HA -0.069 4.487 4.556 -0.000 0.000 0.301 361 H C 2.255 177.531 175.328 -0.087 0.000 1.082 361 H CA 1.383 57.340 56.048 -0.153 0.000 1.342 361 H CB -0.074 29.627 29.762 -0.101 0.000 1.389 361 H HN 0.257 nan 8.280 nan 0.000 0.511 362 L N 1.306 122.547 121.223 0.029 0.000 2.017 362 L HA -0.064 4.276 4.340 -0.000 0.000 0.208 362 L C 2.627 179.514 176.870 0.029 0.000 1.073 362 L CA 1.823 56.682 54.840 0.031 0.000 0.745 362 L CB -0.871 41.206 42.059 0.031 0.000 0.894 362 L HN 0.166 nan 8.230 nan 0.000 0.432 363 A N -0.358 122.459 122.820 -0.005 0.000 1.883 363 A HA -0.234 4.086 4.320 -0.000 0.000 0.217 363 A C 2.426 180.071 177.584 0.102 0.000 1.186 363 A CA 1.925 54.001 52.037 0.066 0.000 0.624 363 A CB -0.591 18.479 19.000 0.117 0.000 0.822 363 A HN 0.518 nan 8.150 nan 0.000 0.444 364 R N -1.398 119.130 120.500 0.048 0.000 2.081 364 R HA -0.115 4.225 4.340 -0.000 0.000 0.235 364 R C 2.457 178.827 176.300 0.117 0.000 1.131 364 R CA 1.535 57.685 56.100 0.083 0.000 0.960 364 R CB -0.257 30.067 30.300 0.039 0.000 0.856 364 R HN 0.413 nan 8.270 nan 0.000 0.436 365 R N 1.440 122.004 120.500 0.106 0.000 2.075 365 R HA -0.105 4.234 4.340 -0.000 0.000 0.232 365 R C 1.782 178.199 176.300 0.194 0.000 1.126 365 R CA 1.603 57.780 56.100 0.127 0.000 0.963 365 R CB -0.076 30.285 30.300 0.102 0.000 0.858 365 R HN 0.298 nan 8.270 nan 0.000 0.435 366 E N -0.395 119.939 120.200 0.222 0.000 2.106 366 E HA -0.168 4.182 4.350 -0.000 0.000 0.192 366 E C 1.972 178.839 176.600 0.444 0.000 0.984 366 E CA 1.431 58.061 56.400 0.382 0.000 0.806 366 E CB -0.134 29.719 29.700 0.255 0.000 0.750 366 E HN 0.373 nan 8.360 nan 0.000 0.458 367 I N 0.991 121.754 120.570 0.321 0.000 2.193 367 I HA -0.247 3.923 4.170 -0.000 0.000 0.240 367 I C 2.433 178.685 176.117 0.225 0.000 1.084 367 I CA 0.997 62.483 61.300 0.311 0.000 1.365 367 I CB -0.196 37.995 38.000 0.318 0.000 1.064 367 I HN 0.061 nan 8.210 nan 0.000 0.410 368 I N 0.203 120.881 120.570 0.180 0.000 2.208 368 I HA -0.277 3.893 4.170 -0.000 0.000 0.245 368 I C 2.525 178.714 176.117 0.120 0.000 1.097 368 I CA 1.262 62.637 61.300 0.125 0.000 1.363 368 I CB -0.312 37.749 38.000 0.101 0.000 1.051 368 I HN 0.057 nan 8.210 nan 0.000 0.413 369 V N 0.437 120.447 119.914 0.159 0.000 2.343 369 V HA -0.275 3.845 4.120 -0.000 0.000 0.247 369 V C 2.484 178.631 176.094 0.087 0.000 1.051 369 V CA 2.443 64.827 62.300 0.140 0.000 1.036 369 V CB -0.892 31.060 31.823 0.215 0.000 0.654 369 V HN 0.471 nan 8.190 nan 0.000 0.451 370 T N 0.565 115.180 114.554 0.101 0.000 2.708 370 T HA -0.138 4.212 4.350 -0.000 0.000 0.266 370 T C 1.874 176.597 174.700 0.039 0.000 1.037 370 T CA 1.612 63.734 62.100 0.036 0.000 1.146 370 T CB -0.290 68.662 68.868 0.139 0.000 0.865 370 T HN 0.293 nan 8.240 nan 0.000 0.435 371 L N 0.564 121.824 121.223 0.062 0.000 1.994 371 L HA -0.085 4.254 4.340 -0.000 0.000 0.208 371 L C 2.756 179.666 176.870 0.066 0.000 1.071 371 L CA 1.471 56.342 54.840 0.052 0.000 0.745 371 L CB -0.541 41.546 42.059 0.047 0.000 0.892 371 L HN 0.194 nan 8.230 nan 0.000 0.431 372 K N -0.053 120.380 120.400 0.055 0.000 2.032 372 K HA -0.195 4.125 4.320 -0.000 0.000 0.209 372 K C 2.085 178.702 176.600 0.029 0.000 1.048 372 K CA 1.430 57.742 56.287 0.042 0.000 0.927 372 K CB 0.133 32.656 32.500 0.039 0.000 0.712 372 K HN 0.198 nan 8.250 nan 0.000 0.441 373 E N -0.019 120.194 120.200 0.023 0.000 2.107 373 E HA -0.191 4.159 4.350 -0.000 0.000 0.191 373 E C 1.684 178.249 176.600 -0.057 0.000 0.982 373 E CA 0.669 57.059 56.400 -0.016 0.000 0.809 373 E CB -0.395 29.293 29.700 -0.019 0.000 0.756 373 E HN 0.508 nan 8.360 nan 0.000 0.459 374 W N 1.638 122.804 121.300 -0.223 0.000 2.378 374 W HA -0.101 4.559 4.660 -0.000 0.000 0.313 374 W C 1.868 178.236 176.519 -0.252 0.000 1.197 374 W CA 1.005 58.156 57.345 -0.323 0.000 1.304 374 W CB -0.419 28.782 29.460 -0.432 0.000 1.148 374 W HN 0.018 nan 8.180 nan 0.000 0.494 375 L N 0.339 121.640 121.223 0.129 0.000 2.191 375 L HA -0.229 4.111 4.340 -0.000 0.000 0.212 375 L C 2.383 179.246 176.870 -0.011 0.000 1.103 375 L CA 1.610 56.512 54.840 0.103 0.000 0.769 375 L CB -1.225 40.919 42.059 0.141 0.000 0.908 375 L HN -0.102 nan 8.230 nan 0.000 0.438 376 T N -0.458 114.067 114.554 -0.048 0.000 2.674 376 T HA -0.170 4.180 4.350 -0.000 0.000 0.265 376 T C 2.067 176.694 174.700 -0.122 0.000 1.039 376 T CA 1.437 63.498 62.100 -0.065 0.000 1.150 376 T CB -0.065 68.771 68.868 -0.054 0.000 0.864 376 T HN 0.337 nan 8.240 nan 0.000 0.427 377 R N 0.056 120.425 120.500 -0.219 0.000 2.112 377 R HA 0.288 4.628 4.340 -0.000 0.000 0.216 377 R C 0.573 176.638 176.300 -0.391 0.000 1.080 377 R CA 0.712 56.636 56.100 -0.294 0.000 0.996 377 R CB 0.244 30.329 30.300 -0.357 0.000 0.902 377 R HN 0.331 nan 8.270 nan 0.000 0.449 378 I N 2.072 122.312 120.570 -0.551 0.000 2.862 378 I HA 0.185 4.355 4.170 -0.000 0.000 0.285 378 I C -1.970 174.034 176.117 -0.189 0.000 1.339 378 I CA -1.594 59.335 61.300 -0.619 0.000 1.002 378 I CB 1.962 39.110 38.000 -1.421 0.000 1.618 378 I HN -0.121 nan 8.210 nan 0.000 0.593 379 P HA -0.061 nan 4.420 nan 0.000 0.223 379 P C 0.055 177.479 177.300 0.207 0.000 1.151 379 P CA 1.168 64.334 63.100 0.111 0.000 0.787 379 P CB 0.382 32.109 31.700 0.044 0.000 0.788 380 D N -0.535 119.998 120.400 0.222 0.000 2.542 380 D HA 0.467 5.107 4.640 -0.000 0.000 0.252 380 D C -1.008 175.512 176.300 0.366 0.000 1.222 380 D CA -0.582 53.533 54.000 0.192 0.000 0.895 380 D CB 0.956 41.820 40.800 0.107 0.000 1.207 380 D HN -0.122 nan 8.370 nan 0.000 0.558 381 F N 0.980 120.996 119.950 0.110 0.000 2.741 381 F HA 0.807 5.333 4.527 -0.000 0.000 0.313 381 F C -1.130 174.745 175.800 0.125 0.000 1.153 381 F CA -1.030 57.095 58.000 0.208 0.000 0.931 381 F CB 0.849 39.999 39.000 0.250 0.000 1.335 381 F HN 0.175 nan 8.300 nan 0.000 0.460 382 S N 0.207 116.045 115.700 0.230 0.000 2.643 382 S HA 0.733 5.203 4.470 -0.000 0.000 0.270 382 S C -1.225 173.467 174.600 0.153 0.000 1.166 382 S CA -1.070 57.156 58.200 0.044 0.000 0.815 382 S CB 1.279 64.480 63.200 0.002 0.000 1.139 382 S HN 0.851 nan 8.310 nan 0.000 0.472 383 I N 1.779 122.386 120.570 0.061 0.000 2.696 383 I HA 0.433 4.603 4.170 -0.000 0.000 0.284 383 I C 1.061 177.220 176.117 0.071 0.000 1.129 383 I CA -0.349 60.995 61.300 0.074 0.000 1.410 383 I CB 0.797 38.813 38.000 0.027 0.000 1.399 383 I HN 0.913 nan 8.210 nan 0.000 0.579 384 A N 7.611 130.476 122.820 0.075 0.000 2.511 384 A HA 0.306 4.626 4.320 -0.000 0.000 0.242 384 A C -2.261 175.342 177.584 0.032 0.000 1.069 384 A CA -1.025 51.044 52.037 0.052 0.000 0.763 384 A CB -0.655 18.373 19.000 0.046 0.000 1.001 384 A HN 0.428 nan 8.150 nan 0.000 0.498 385 P HA 0.219 nan 4.420 nan 0.000 0.261 385 P C 1.012 178.319 177.300 0.013 0.000 1.183 385 P CA 1.914 65.023 63.100 0.015 0.000 0.761 385 P CB 0.525 32.231 31.700 0.010 0.000 0.785 386 G N 2.287 111.093 108.800 0.011 0.000 2.155 386 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.257 386 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.257 386 G C 0.372 175.280 174.900 0.013 0.000 0.983 386 G CA -0.014 45.092 45.100 0.010 0.000 0.676 386 G HN 0.845 nan 8.290 nan 0.000 0.528 387 A N -0.214 122.616 122.820 0.017 0.000 2.328 387 A HA 0.715 5.035 4.320 -0.000 0.000 0.284 387 A C 0.370 177.964 177.584 0.017 0.000 1.160 387 A CA -0.091 51.959 52.037 0.021 0.000 0.818 387 A CB 0.549 19.567 19.000 0.031 0.000 1.087 387 A HN 0.428 nan 8.150 nan 0.000 0.504 388 Q N 2.233 122.043 119.800 0.016 0.000 2.400 388 Q HA 0.302 4.642 4.340 -0.000 0.000 0.255 388 Q C -0.733 175.274 176.000 0.012 0.000 1.008 388 Q CA -0.635 55.174 55.803 0.010 0.000 0.841 388 Q CB 1.280 30.023 28.738 0.009 0.000 1.220 388 Q HN 0.628 nan 8.270 nan 0.000 0.474 389 I N 3.103 123.676 120.570 0.005 0.000 2.452 389 I HA 0.047 4.217 4.170 -0.000 0.000 0.287 389 I C 0.247 176.356 176.117 -0.013 0.000 1.079 389 I CA 0.310 61.618 61.300 0.013 0.000 1.387 389 I CB 0.388 38.404 38.000 0.026 0.000 1.404 389 I HN 0.513 nan 8.210 nan 0.000 0.522 390 Q N 5.780 125.605 119.800 0.042 0.000 2.307 390 Q HA 0.388 4.728 4.340 -0.000 0.000 0.262 390 Q C -0.694 175.417 176.000 0.184 0.000 0.961 390 Q CA -0.419 55.420 55.803 0.061 0.000 0.882 390 Q CB 1.768 30.541 28.738 0.058 0.000 1.264 390 Q HN 0.569 nan 8.270 nan 0.000 0.446 391 H N 0.974 120.112 119.070 0.114 0.000 2.488 391 H HA 0.459 5.015 4.556 -0.000 0.000 0.347 391 H C -0.411 175.011 175.328 0.156 0.000 1.174 391 H CA -0.922 55.227 56.048 0.168 0.000 1.307 391 H CB 1.168 31.106 29.762 0.294 0.000 1.517 391 H HN 0.129 nan 8.280 nan 0.000 0.554 392 K N 1.168 121.751 120.400 0.304 0.000 2.427 392 K HA 0.295 4.615 4.320 -0.000 0.000 0.252 392 K C -0.814 175.940 176.600 0.257 0.000 0.931 392 K CA -0.536 55.886 56.287 0.226 0.000 0.793 392 K CB 2.809 35.403 32.500 0.156 0.000 1.211 392 K HN 0.457 nan 8.250 nan 0.000 0.426 393 S N 0.472 116.328 115.700 0.261 0.000 2.608 393 S HA 0.881 5.351 4.470 -0.000 0.000 0.291 393 S C -0.100 174.664 174.600 0.273 0.000 1.146 393 S CA 0.087 58.470 58.200 0.304 0.000 1.043 393 S CB 1.191 64.622 63.200 0.385 0.000 1.037 393 S HN 0.844 nan 8.310 nan 0.000 0.520 394 G N 2.199 111.134 108.800 0.225 0.000 2.392 394 G HA2 0.203 4.163 3.960 -0.000 0.000 0.260 394 G HA3 0.203 4.163 3.960 -0.000 0.000 0.260 394 G C 0.198 175.152 174.900 0.089 0.000 1.226 394 G CA -0.281 44.918 45.100 0.165 0.000 0.913 394 G HN 0.590 nan 8.290 nan 0.000 0.483 395 I N 0.018 120.664 120.570 0.127 0.000 2.226 395 I HA 0.030 4.199 4.170 -0.000 0.000 0.245 395 I C 0.718 176.863 176.117 0.046 0.000 1.100 395 I CA 1.228 62.580 61.300 0.088 0.000 1.374 395 I CB -0.209 37.814 38.000 0.039 0.000 1.057 395 I HN 0.086 nan 8.210 nan 0.000 0.413 396 V N 0.319 120.266 119.914 0.054 0.000 2.495 396 V HA 0.318 4.437 4.120 -0.000 0.000 0.298 396 V C -0.086 176.056 176.094 0.080 0.000 1.031 396 V CA -0.660 61.665 62.300 0.043 0.000 0.871 396 V CB 1.650 33.498 31.823 0.041 0.000 0.988 396 V HN 0.066 nan 8.190 nan 0.000 0.432 397 S N 2.174 117.928 115.700 0.091 0.000 2.646 397 S HA 0.851 5.321 4.470 -0.000 0.000 0.276 397 S C 0.355 175.127 174.600 0.288 0.000 1.222 397 S CA -0.075 58.237 58.200 0.188 0.000 1.014 397 S CB 1.725 65.001 63.200 0.128 0.000 0.991 397 S HN 1.120 nan 8.310 nan 0.000 0.533 398 G N -0.115 108.822 108.800 0.229 0.000 2.766 398 G HA2 0.615 4.575 3.960 -0.000 0.000 0.288 398 G HA3 0.615 4.575 3.960 -0.000 0.000 0.288 398 G C -1.656 173.159 174.900 -0.142 0.000 1.408 398 G CA -0.542 44.554 45.100 -0.008 0.000 0.852 398 G HN 0.609 nan 8.290 nan 0.000 0.487 399 V N 0.430 120.148 119.914 -0.327 0.000 2.417 399 V HA 0.296 4.415 4.120 -0.000 0.000 0.291 399 V C 1.237 177.301 176.094 -0.051 0.000 1.024 399 V CA -0.330 61.850 62.300 -0.199 0.000 0.861 399 V CB 1.363 32.963 31.823 -0.372 0.000 0.985 399 V HN 0.959 nan 8.190 nan 0.000 0.436 400 Q N 3.390 123.208 119.800 0.030 0.000 2.050 400 Q HA 0.126 4.466 4.340 -0.000 0.000 0.202 400 Q C 0.605 176.622 176.000 0.029 0.000 0.980 400 Q CA 1.678 57.503 55.803 0.036 0.000 0.840 400 Q CB 0.241 29.013 28.738 0.057 0.000 0.898 400 Q HN 0.989 nan 8.270 nan 0.000 0.424 401 A N -0.612 122.229 122.820 0.035 0.000 2.599 401 A HA 0.530 4.850 4.320 -0.000 0.000 0.294 401 A C -2.081 175.537 177.584 0.056 0.000 1.055 401 A CA -0.675 51.389 52.037 0.046 0.000 0.683 401 A CB 1.296 20.324 19.000 0.047 0.000 1.278 401 A HN 0.160 nan 8.150 nan 0.000 0.412 402 L N 2.188 123.462 121.223 0.085 0.000 2.481 402 L HA 0.522 4.862 4.340 -0.000 0.000 0.255 402 L C -2.742 174.211 176.870 0.139 0.000 1.192 402 L CA -1.517 53.381 54.840 0.096 0.000 0.924 402 L CB 1.573 43.681 42.059 0.082 0.000 1.179 402 L HN 0.341 nan 8.230 nan 0.000 0.491 403 P HA 0.235 nan 4.420 nan 0.000 0.269 403 P C -0.870 176.522 177.300 0.154 0.000 1.252 403 P CA 0.365 63.536 63.100 0.119 0.000 0.780 403 P CB 0.468 32.214 31.700 0.076 0.000 0.829 404 L N 3.853 125.217 121.223 0.235 0.000 2.330 404 L HA 0.758 5.098 4.340 -0.000 0.000 0.271 404 L C 0.325 177.369 176.870 0.291 0.000 1.013 404 L CA -1.193 53.858 54.840 0.352 0.000 0.816 404 L CB 2.008 44.389 42.059 0.536 0.000 1.287 404 L HN 0.145 nan 8.230 nan 0.000 0.435 405 V N -1.377 118.737 119.914 0.333 0.000 3.007 405 V HA 0.803 4.922 4.120 -0.000 0.000 0.311 405 V C -1.578 174.744 176.094 0.379 0.000 1.120 405 V CA -0.625 61.742 62.300 0.111 0.000 0.980 405 V CB 1.726 33.568 31.823 0.031 0.000 1.033 405 V HN 0.989 nan 8.190 nan 0.000 0.429 406 W N 0.726 122.096 121.300 0.117 0.000 2.989 406 W HA 0.757 5.417 4.660 -0.000 0.000 0.344 406 W C -1.894 174.661 176.519 0.060 0.000 1.233 406 W CA -0.662 56.751 57.345 0.114 0.000 1.187 406 W CB 0.945 30.501 29.460 0.159 0.000 1.443 406 W HN 0.683 nan 8.180 nan 0.000 0.573 407 D N 1.894 122.465 120.400 0.285 0.000 2.317 407 D HA 0.392 5.032 4.640 -0.000 0.000 0.234 407 D C -1.513 174.932 176.300 0.242 0.000 1.112 407 D CA -2.518 51.571 54.000 0.148 0.000 0.840 407 D CB 2.050 42.913 40.800 0.106 0.000 1.078 407 D HN 0.048 nan 8.370 nan 0.000 0.486 408 P HA -0.142 nan 4.420 nan 0.000 0.217 408 P C 0.885 178.260 177.300 0.124 0.000 1.148 408 P CA 1.353 64.561 63.100 0.180 0.000 0.828 408 P CB 0.190 31.934 31.700 0.072 0.000 0.783 409 A N -0.762 122.109 122.820 0.085 0.000 2.172 409 A HA -0.113 4.207 4.320 -0.000 0.000 0.216 409 A C 1.961 179.581 177.584 0.059 0.000 1.154 409 A CA 1.949 54.020 52.037 0.056 0.000 0.701 409 A CB -1.545 17.479 19.000 0.039 0.000 0.789 409 A HN 0.358 nan 8.150 nan 0.000 0.465 410 T N -2.788 111.818 114.554 0.087 0.000 3.086 410 T HA 0.154 4.503 4.350 -0.000 0.000 0.250 410 T C 0.890 175.616 174.700 0.043 0.000 1.074 410 T CA 0.629 62.770 62.100 0.069 0.000 0.988 410 T CB -0.791 68.130 68.868 0.088 0.000 0.988 410 T HN 0.488 nan 8.240 nan 0.000 0.530 411 T N 0.309 114.890 114.554 0.046 0.000 2.816 411 T HA 0.520 4.870 4.350 -0.000 0.000 0.282 411 T C -0.548 174.132 174.700 -0.034 0.000 0.993 411 T CA -0.816 61.267 62.100 -0.028 0.000 0.994 411 T CB 1.067 69.912 68.868 -0.038 0.000 1.025 411 T HN 0.249 nan 8.240 nan 0.000 0.529 412 K N 0.736 121.091 120.400 -0.075 0.000 2.507 412 K HA 0.616 4.936 4.320 -0.000 0.000 0.252 412 K C -0.682 175.873 176.600 -0.075 0.000 0.943 412 K CA -0.868 55.384 56.287 -0.059 0.000 0.808 412 K CB 2.265 34.733 32.500 -0.054 0.000 1.142 412 K HN 0.843 nan 8.250 nan 0.000 0.426 413 A N 2.683 125.473 122.820 -0.050 0.000 2.354 413 A HA 0.586 4.906 4.320 -0.000 0.000 0.269 413 A C -0.067 177.490 177.584 -0.043 0.000 1.109 413 A CA -0.313 51.695 52.037 -0.048 0.000 0.800 413 A CB 0.504 19.486 19.000 -0.029 0.000 1.045 413 A HN 0.432 nan 8.150 nan 0.000 0.489 414 V N 0.000 119.887 119.914 -0.046 0.000 2.409 414 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 414 V CA 0.000 62.279 62.300 -0.034 0.000 1.235 414 V CB 0.000 31.800 31.823 -0.039 0.000 1.184 414 V HN 0.000 nan 8.190 nan 0.000 0.556