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 3fwj_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 FGHGSHLXLG DATA SEQUENCE QHLARLQIIV 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 0.000 175.500 175.510 -0.016 0.000 1.280 10 N CA 0.000 53.040 53.050 -0.016 0.000 0.885 10 N CB 0.000 38.480 38.487 -0.012 0.000 1.341 11 L N 1.892 123.106 121.223 -0.016 0.000 2.275 11 L HA 0.600 4.971 4.340 0.052 0.000 0.288 11 L C 0.722 177.599 176.870 0.012 0.000 1.046 11 L CA -0.667 54.167 54.840 -0.010 0.000 0.805 11 L CB 1.330 43.379 42.059 -0.017 0.000 1.193 11 L HN 0.594 nan 8.230 nan 0.000 0.426 12 A N 5.224 128.062 122.820 0.030 0.000 2.498 12 A HA 0.395 4.745 4.320 0.052 0.000 0.239 12 A C -2.177 175.445 177.584 0.062 0.000 1.068 12 A CA -0.858 51.212 52.037 0.055 0.000 0.766 12 A CB -0.595 18.457 19.000 0.087 0.000 1.003 12 A HN 0.478 nan 8.150 nan 0.000 0.497 13 P HA 0.135 nan 4.420 nan 0.000 0.266 13 P C -0.328 176.973 177.300 0.002 0.000 1.195 13 P CA -0.284 62.824 63.100 0.014 0.000 0.768 13 P CB 0.286 31.989 31.700 0.004 0.000 0.838 14 L N 6.523 127.717 121.223 -0.049 0.000 2.500 14 L HA 0.225 4.595 4.340 0.052 0.000 0.272 14 L C -2.112 174.606 176.870 -0.253 0.000 1.149 14 L CA -1.399 53.339 54.840 -0.170 0.000 0.897 14 L CB -0.705 41.245 42.059 -0.182 0.000 1.178 14 L HN 0.304 nan 8.230 nan 0.000 0.473 15 P HA 0.165 nan 4.420 nan 0.000 0.268 15 P C -2.123 174.955 177.300 -0.370 0.000 1.205 15 P CA -0.996 61.886 63.100 -0.363 0.000 0.771 15 P CB 0.181 31.571 31.700 -0.516 0.000 0.858 16 P HA -0.232 nan 4.420 nan 0.000 0.217 16 P C 1.250 178.490 177.300 -0.100 0.000 1.151 16 P CA 1.575 64.615 63.100 -0.100 0.000 0.849 16 P CB -0.476 31.215 31.700 -0.014 0.000 0.787 17 H N -1.901 117.093 119.070 -0.127 0.000 2.555 17 H HA 0.090 4.676 4.556 0.050 0.000 0.269 17 H C -0.082 175.196 175.328 -0.083 0.000 0.988 17 H CA 0.316 56.322 56.048 -0.070 0.000 1.178 17 H CB -0.595 29.157 29.762 -0.016 0.000 1.373 17 H HN -0.062 nan 8.280 nan 0.000 0.588 18 V N 4.299 123.847 119.914 -0.611 0.000 2.364 18 V HA 0.232 4.383 4.120 0.052 0.000 0.272 18 V C -2.128 173.780 176.094 -0.310 0.000 1.036 18 V CA -1.784 60.184 62.300 -0.553 0.000 0.880 18 V CB 1.299 32.402 31.823 -1.200 0.000 0.991 18 V HN 0.193 nan 8.190 nan 0.000 0.460 19 P HA 0.172 nan 4.420 nan 0.000 0.271 19 P C 0.749 177.955 177.300 -0.157 0.000 1.216 19 P CA -0.147 62.888 63.100 -0.108 0.000 0.771 19 P CB 0.937 32.589 31.700 -0.080 0.000 0.864 20 E N 1.636 121.803 120.200 -0.055 0.000 2.204 20 E HA -0.239 4.142 4.350 0.052 0.000 0.195 20 E C 1.520 178.128 176.600 0.014 0.000 0.990 20 E CA 0.663 57.043 56.400 -0.032 0.000 0.821 20 E CB -0.105 29.595 29.700 -0.001 0.000 0.750 20 E HN 0.609 nan 8.360 nan 0.000 0.477 21 H N -0.411 118.680 119.070 0.035 0.000 2.545 21 H HA -0.052 4.535 4.556 0.053 0.000 0.282 21 H C 1.542 176.927 175.328 0.094 0.000 1.020 21 H CA 0.591 56.672 56.048 0.056 0.000 1.243 21 H CB -0.076 29.713 29.762 0.044 0.000 1.377 21 H HN 0.243 nan 8.280 nan 0.000 0.581 22 L N 1.490 122.547 121.223 -0.278 0.000 2.607 22 L HA 0.176 4.547 4.340 0.052 0.000 0.228 22 L C 0.217 177.155 176.870 0.112 0.000 1.123 22 L CA -0.252 54.549 54.840 -0.065 0.000 0.890 22 L CB 0.685 42.722 42.059 -0.037 0.000 1.103 22 L HN -0.003 nan 8.230 nan 0.000 0.468 23 V N 0.739 120.707 119.914 0.090 0.000 2.508 23 V HA 0.047 4.198 4.120 0.052 0.000 0.281 23 V C -0.558 175.651 176.094 0.192 0.000 1.041 23 V CA 0.238 62.622 62.300 0.140 0.000 1.016 23 V CB 0.933 32.801 31.823 0.074 0.000 0.984 23 V HN 0.099 nan 8.190 nan 0.000 0.478 24 F N 3.844 123.807 119.950 0.021 0.000 2.941 24 F HA 0.388 4.945 4.527 0.050 0.000 0.359 24 F C 0.144 175.932 175.800 -0.021 0.000 1.231 24 F CA -0.737 57.266 58.000 0.005 0.000 1.089 24 F CB 1.307 40.311 39.000 0.006 0.000 1.407 24 F HN 0.511 nan 8.300 nan 0.000 0.538 25 D N 6.325 126.599 120.400 -0.210 0.000 2.767 25 D HA -0.016 4.654 4.640 0.052 0.000 0.231 25 D C -0.199 176.030 176.300 -0.119 0.000 1.105 25 D CA 0.415 54.325 54.000 -0.150 0.000 1.024 25 D CB -0.290 40.411 40.800 -0.165 0.000 1.123 25 D HN 0.272 nan 8.370 nan 0.000 0.470 26 F N 1.772 121.667 119.950 -0.093 0.000 2.456 26 F HA 0.095 4.653 4.527 0.051 0.000 0.358 26 F C 0.509 176.205 175.800 -0.173 0.000 1.095 26 F CA -0.619 57.333 58.000 -0.081 0.000 1.216 26 F CB 0.808 39.825 39.000 0.030 0.000 1.125 26 F HN -0.139 nan 8.300 nan 0.000 0.549 27 D N 7.395 127.324 120.400 -0.785 0.000 2.443 27 D HA 0.095 4.766 4.640 0.052 0.000 0.221 27 D C 0.983 176.812 176.300 -0.784 0.000 1.097 27 D CA -0.447 53.236 54.000 -0.528 0.000 0.865 27 D CB 0.845 41.449 40.800 -0.327 0.000 1.034 27 D HN 0.744 nan 8.370 nan 0.000 0.511 28 M N 1.923 121.231 119.600 -0.486 0.000 2.435 28 M HA -0.125 4.386 4.480 0.052 0.000 0.262 28 M C 0.298 176.382 176.300 -0.360 0.000 1.065 28 M CA 1.295 56.320 55.300 -0.457 0.000 1.076 28 M CB -0.265 32.237 32.600 -0.164 0.000 1.403 28 M HN 0.231 nan 8.290 nan 0.000 0.454 29 Y N 0.545 120.793 120.300 -0.088 0.000 2.482 29 Y HA 0.264 4.855 4.550 0.069 0.000 0.270 29 Y C 0.620 176.490 175.900 -0.050 0.000 1.152 29 Y CA 0.062 58.152 58.100 -0.016 0.000 1.292 29 Y CB 0.467 38.925 38.460 -0.002 0.000 1.070 29 Y HN 0.459 nan 8.280 nan 0.000 0.528 30 N N 0.796 119.467 118.700 -0.048 0.000 2.805 30 N HA 0.097 4.868 4.740 0.052 0.000 0.216 30 N C -3.290 172.079 175.510 -0.234 0.000 1.447 30 N CA -1.032 51.972 53.050 -0.077 0.000 0.785 30 N CB 0.930 39.399 38.487 -0.029 0.000 1.458 30 N HN -0.174 nan 8.380 nan 0.000 0.547 31 P HA 0.067 nan 4.420 nan 0.000 0.275 31 P C 0.779 177.933 177.300 -0.242 0.000 1.228 31 P CA -0.006 62.764 63.100 -0.550 0.000 0.786 31 P CB 1.844 33.167 31.700 -0.629 0.000 0.927 32 S N 2.385 117.956 115.700 -0.215 0.000 2.365 32 S HA -0.217 4.284 4.470 0.052 0.000 0.225 32 S C 1.360 175.941 174.600 -0.031 0.000 1.039 32 S CA 1.778 59.919 58.200 -0.099 0.000 1.033 32 S CB -0.834 62.318 63.200 -0.080 0.000 0.887 32 S HN 0.599 nan 8.310 nan 0.000 0.447 33 N N 0.413 119.116 118.700 0.005 0.000 2.346 33 N HA 0.182 4.952 4.740 0.052 0.000 0.225 33 N C 0.900 176.445 175.510 0.058 0.000 1.144 33 N CA -0.145 52.929 53.050 0.041 0.000 0.837 33 N CB 0.017 38.545 38.487 0.068 0.000 1.069 33 N HN 0.219 nan 8.380 nan 0.000 0.487 34 L N 0.372 121.625 121.223 0.050 0.000 2.129 34 L HA -0.187 4.184 4.340 0.052 0.000 0.212 34 L C 2.182 179.121 176.870 0.115 0.000 1.087 34 L CA 1.677 56.573 54.840 0.093 0.000 0.757 34 L CB -0.764 41.350 42.059 0.092 0.000 0.896 34 L HN 0.288 nan 8.230 nan 0.000 0.434 35 S N -1.115 114.640 115.700 0.092 0.000 2.442 35 S HA -0.075 4.426 4.470 0.052 0.000 0.236 35 S C 1.979 176.641 174.600 0.102 0.000 1.007 35 S CA 0.677 58.939 58.200 0.104 0.000 0.965 35 S CB -0.800 62.443 63.200 0.072 0.000 0.773 35 S HN 0.478 nan 8.310 nan 0.000 0.504 36 A N 1.210 124.077 122.820 0.079 0.000 2.167 36 A HA 0.551 4.902 4.320 0.052 0.000 0.214 36 A C 1.239 178.854 177.584 0.051 0.000 1.151 36 A CA 0.490 52.566 52.037 0.065 0.000 0.735 36 A CB -0.890 18.142 19.000 0.053 0.000 0.802 36 A HN 1.600 nan 8.150 nan 0.000 0.467 37 G N -2.314 106.503 108.800 0.028 0.000 2.592 37 G HA2 0.161 4.152 3.960 0.052 0.000 0.685 37 G HA3 0.161 4.152 3.960 0.052 0.000 0.685 37 G C 0.491 175.377 174.900 -0.023 0.000 1.278 37 G CA 0.057 45.090 45.100 -0.111 0.000 0.822 37 G HN 1.326 nan 8.290 nan 0.000 0.652 38 V N 0.521 120.407 119.914 -0.048 0.000 2.358 38 V HA -0.122 4.029 4.120 0.052 0.000 0.246 38 V C 2.381 178.604 176.094 0.216 0.000 1.047 38 V CA 3.129 65.535 62.300 0.177 0.000 1.035 38 V CB -0.487 31.494 31.823 0.263 0.000 0.658 38 V HN 0.781 nan 8.190 nan 0.000 0.452 39 Q N 0.356 120.170 119.800 0.023 0.000 2.079 39 Q HA -0.136 4.235 4.340 0.052 0.000 0.200 39 Q C 2.148 178.180 176.000 0.052 0.000 0.974 39 Q CA 2.239 58.023 55.803 -0.032 0.000 0.840 39 Q CB -0.386 28.240 28.738 -0.186 0.000 0.898 39 Q HN 0.783 nan 8.270 nan 0.000 0.430 40 E N 0.359 120.583 120.200 0.039 0.000 2.058 40 E HA -0.188 4.193 4.350 0.052 0.000 0.194 40 E C 1.866 178.533 176.600 0.111 0.000 0.997 40 E CA 1.371 57.799 56.400 0.047 0.000 0.801 40 E CB -0.407 29.312 29.700 0.031 0.000 0.746 40 E HN 0.406 nan 8.360 nan 0.000 0.450 41 A N 0.125 123.044 122.820 0.165 0.000 1.883 41 A HA -0.198 4.153 4.320 0.052 0.000 0.217 41 A C 1.884 179.639 177.584 0.285 0.000 1.186 41 A CA 1.599 53.755 52.037 0.199 0.000 0.624 41 A CB -1.111 17.997 19.000 0.179 0.000 0.822 41 A HN 0.390 nan 8.150 nan 0.000 0.444 42 W N -0.435 120.960 121.300 0.159 0.000 2.402 42 W HA 0.090 4.778 4.660 0.047 0.000 0.286 42 W C 2.618 179.069 176.519 -0.114 0.000 1.221 42 W CA 1.136 58.511 57.345 0.050 0.000 1.257 42 W CB -0.358 29.089 29.460 -0.022 0.000 1.120 42 W HN 0.364 nan 8.180 nan 0.000 0.551 43 A N 0.492 123.394 122.820 0.136 0.000 2.216 43 A HA -0.084 4.266 4.320 0.052 0.000 0.214 43 A C 1.981 179.551 177.584 -0.022 0.000 1.160 43 A CA 1.605 53.649 52.037 0.012 0.000 0.725 43 A CB -1.222 17.771 19.000 -0.012 0.000 0.784 43 A HN 0.278 nan 8.150 nan 0.000 0.472 44 V N -2.327 117.599 119.914 0.021 0.000 2.688 44 V HA -0.192 3.959 4.120 0.052 0.000 0.256 44 V C 1.944 177.960 176.094 -0.131 0.000 1.084 44 V CA 1.963 64.282 62.300 0.032 0.000 1.103 44 V CB -0.909 31.027 31.823 0.188 0.000 0.688 44 V HN 0.457 nan 8.190 nan 0.000 0.480 45 L N -0.291 120.757 121.223 -0.292 0.000 2.465 45 L HA 0.008 4.379 4.340 0.052 0.000 0.224 45 L C 2.392 179.047 176.870 -0.358 0.000 1.145 45 L CA 1.192 55.713 54.840 -0.532 0.000 0.834 45 L CB -0.391 41.321 42.059 -0.579 0.000 0.944 45 L HN 0.419 nan 8.230 nan 0.000 0.451 46 Q N -0.623 119.049 119.800 -0.214 0.000 2.172 46 Q HA 0.150 4.521 4.340 0.052 0.000 0.217 46 Q C -0.130 175.807 176.000 -0.105 0.000 0.832 46 Q CA -0.183 55.530 55.803 -0.150 0.000 1.010 46 Q CB 0.661 29.331 28.738 -0.114 0.000 1.133 46 Q HN 0.442 nan 8.270 nan 0.000 0.489 47 E N 0.552 120.692 120.200 -0.100 0.000 2.392 47 E HA -0.008 4.373 4.350 0.052 0.000 0.256 47 E C 0.916 177.490 176.600 -0.043 0.000 1.145 47 E CA 0.284 56.656 56.400 -0.047 0.000 0.929 47 E CB 0.781 30.479 29.700 -0.004 0.000 0.998 47 E HN 0.192 nan 8.360 nan 0.000 0.442 48 S N 1.203 116.892 115.700 -0.018 0.000 2.419 48 S HA -0.248 4.253 4.470 0.052 0.000 0.235 48 S C 1.212 175.808 174.600 -0.007 0.000 1.019 48 S CA 1.712 59.903 58.200 -0.014 0.000 0.982 48 S CB -0.603 62.594 63.200 -0.004 0.000 0.789 48 S HN 0.668 nan 8.310 nan 0.000 0.490 49 N N 0.487 119.193 118.700 0.010 0.000 2.398 49 N HA 0.146 4.917 4.740 0.052 0.000 0.188 49 N C -0.421 175.107 175.510 0.030 0.000 1.122 49 N CA -0.058 53.012 53.050 0.033 0.000 0.866 49 N CB 0.162 38.689 38.487 0.066 0.000 0.970 49 N HN 0.254 nan 8.380 nan 0.000 0.462 50 V N 1.441 121.336 119.914 -0.031 0.000 2.370 50 V HA 0.392 4.543 4.120 0.052 0.000 0.283 50 V C -1.977 174.067 176.094 -0.083 0.000 1.023 50 V CA -1.859 60.382 62.300 -0.098 0.000 0.857 50 V CB 1.114 32.751 31.823 -0.310 0.000 0.985 50 V HN 0.062 nan 8.190 nan 0.000 0.443 51 P HA 0.184 nan 4.420 nan 0.000 0.271 51 P C 0.304 177.564 177.300 -0.067 0.000 1.244 51 P CA -0.281 62.809 63.100 -0.018 0.000 0.793 51 P CB 0.701 32.429 31.700 0.048 0.000 0.984 52 D N -0.671 119.687 120.400 -0.071 0.000 2.178 52 D HA -0.032 4.639 4.640 0.052 0.000 0.202 52 D C 0.281 176.520 176.300 -0.102 0.000 0.974 52 D CA 1.379 55.309 54.000 -0.116 0.000 0.841 52 D CB -0.119 40.585 40.800 -0.161 0.000 0.953 52 D HN 0.044 nan 8.370 nan 0.000 0.478 53 L N 0.569 121.768 121.223 -0.040 0.000 2.404 53 L HA 0.360 4.730 4.340 0.052 0.000 0.272 53 L C -0.864 176.114 176.870 0.179 0.000 0.980 53 L CA -1.024 53.843 54.840 0.044 0.000 0.836 53 L CB 1.811 43.864 42.059 -0.009 0.000 1.238 53 L HN -0.152 nan 8.230 nan 0.000 0.408 54 V N 1.636 121.699 119.914 0.249 0.000 2.960 54 V HA 0.662 4.812 4.120 0.052 0.000 0.315 54 V C -1.203 175.144 176.094 0.423 0.000 1.087 54 V CA -0.789 61.691 62.300 0.300 0.000 0.982 54 V CB 2.096 33.989 31.823 0.117 0.000 1.039 54 V HN 0.905 nan 8.190 nan 0.000 0.437 55 W N 2.496 123.816 121.300 0.034 0.000 2.429 55 W HA 0.619 5.310 4.660 0.052 0.000 0.314 55 W C -0.720 175.668 176.519 -0.218 0.000 1.062 55 W CA -0.186 56.962 57.345 -0.328 0.000 1.211 55 W CB 1.824 30.873 29.460 -0.685 0.000 1.305 55 W HN 0.856 nan 8.180 nan 0.000 0.476 56 T N 5.664 119.738 114.554 -0.800 0.000 2.824 56 T HA 0.350 4.731 4.350 0.052 0.000 0.280 56 T C 1.034 175.272 174.700 -0.770 0.000 0.995 56 T CA -0.432 61.320 62.100 -0.581 0.000 1.009 56 T CB 1.033 69.619 68.868 -0.470 0.000 0.955 56 T HN 0.619 nan 8.240 nan 0.000 0.452 57 R N 2.090 122.430 120.500 -0.267 0.000 2.297 57 R HA 0.173 4.544 4.340 0.052 0.000 0.197 57 R C 0.619 176.849 176.300 -0.117 0.000 0.943 57 R CA -0.142 55.906 56.100 -0.086 0.000 1.038 57 R CB -0.272 30.060 30.300 0.053 0.000 0.957 57 R HN 0.562 nan 8.270 nan 0.000 0.484 58 C N 1.377 120.574 119.300 -0.172 0.000 2.656 58 C HA 0.097 4.588 4.460 0.052 0.000 0.391 58 C C 0.883 175.855 174.990 -0.029 0.000 1.300 58 C CA -0.383 58.579 59.018 -0.093 0.000 2.302 58 C CB -0.109 27.572 27.740 -0.098 0.000 2.655 58 C HN 0.684 nan 8.230 nan 0.000 0.656 59 N N 0.441 119.165 118.700 0.040 0.000 2.735 59 N HA -0.146 4.625 4.740 0.052 0.000 0.248 59 N C 0.730 176.297 175.510 0.095 0.000 1.083 59 N CA 0.933 54.045 53.050 0.105 0.000 0.703 59 N CB -1.206 37.411 38.487 0.217 0.000 1.005 59 N HN 1.389 nan 8.380 nan 0.000 0.550 60 G N -1.794 107.038 108.800 0.053 0.000 2.241 60 G HA2 0.090 4.081 3.960 0.052 0.000 0.244 60 G HA3 0.090 4.081 3.960 0.052 0.000 0.244 60 G C 0.560 175.494 174.900 0.057 0.000 0.998 60 G CA 0.381 45.518 45.100 0.062 0.000 0.621 60 G HN 1.626 nan 8.290 nan 0.000 0.519 61 G N -0.761 108.006 108.800 -0.056 0.000 3.209 61 G HA2 0.592 4.583 3.960 0.052 0.000 0.686 61 G HA3 0.592 4.583 3.960 0.052 0.000 0.686 61 G C -0.565 173.896 174.900 -0.731 0.000 1.065 61 G CA 0.626 45.524 45.100 -0.336 0.000 0.812 61 G HN 2.880 nan 8.290 nan 0.000 0.573 62 H N -1.646 116.408 119.070 -1.693 0.000 2.969 62 H HA 0.626 5.213 4.556 0.052 0.000 0.304 62 H C -0.614 174.004 175.328 -1.184 0.000 1.400 62 H CA -1.582 53.697 56.048 -1.282 0.000 1.182 62 H CB 0.052 29.552 29.762 -0.437 0.000 1.865 62 H HN 0.678 nan 8.280 nan 0.000 0.512 63 W N 0.945 122.123 121.300 -0.204 0.000 2.161 63 W HA 0.600 5.292 4.660 0.053 0.000 0.344 63 W C -0.220 176.343 176.519 0.074 0.000 1.262 63 W CA -0.522 56.839 57.345 0.027 0.000 1.270 63 W CB 0.742 30.332 29.460 0.217 0.000 1.126 63 W HN 0.452 nan 8.180 nan 0.000 0.598 64 I N 2.369 123.131 120.570 0.320 0.000 2.534 64 I HA 0.322 4.523 4.170 0.052 0.000 0.286 64 I C -0.343 175.834 176.117 0.100 0.000 1.094 64 I CA -1.094 60.304 61.300 0.163 0.000 1.055 64 I CB 1.342 39.361 38.000 0.032 0.000 1.225 64 I HN 0.446 nan 8.210 nan 0.000 0.435 65 A N 3.352 126.198 122.820 0.042 0.000 2.362 65 A HA 0.497 4.848 4.320 0.052 0.000 0.276 65 A C 0.981 178.520 177.584 -0.075 0.000 1.153 65 A CA -0.029 51.989 52.037 -0.033 0.000 0.813 65 A CB 0.166 19.122 19.000 -0.073 0.000 1.081 65 A HN 0.851 nan 8.150 nan 0.000 0.507 66 T N -0.212 114.274 114.554 -0.112 0.000 3.040 66 T HA 0.255 4.636 4.350 0.052 0.000 0.250 66 T C 0.595 175.216 174.700 -0.131 0.000 1.058 66 T CA -0.089 61.925 62.100 -0.143 0.000 0.988 66 T CB 0.089 68.838 68.868 -0.198 0.000 0.993 66 T HN 0.521 nan 8.240 nan 0.000 0.519 67 R N 0.263 120.684 120.500 -0.132 0.000 2.686 67 R HA 0.589 4.960 4.340 0.052 0.000 0.286 67 R C 1.463 177.689 176.300 -0.123 0.000 0.969 67 R CA -0.324 55.700 56.100 -0.128 0.000 0.898 67 R CB 1.243 31.459 30.300 -0.140 0.000 1.183 67 R HN 0.209 nan 8.270 nan 0.000 0.456 68 G N 1.121 109.857 108.800 -0.107 0.000 2.469 68 G HA2 -0.365 3.626 3.960 0.052 0.000 0.219 68 G HA3 -0.365 3.626 3.960 0.052 0.000 0.219 68 G C 1.119 175.949 174.900 -0.117 0.000 1.150 68 G CA 1.129 46.166 45.100 -0.104 0.000 0.763 68 G HN 0.563 nan 8.290 nan 0.000 0.561 69 Q N -0.251 119.482 119.800 -0.112 0.000 2.061 69 Q HA -0.057 4.314 4.340 0.052 0.000 0.204 69 Q C 2.414 178.348 176.000 -0.110 0.000 0.984 69 Q CA 1.320 57.065 55.803 -0.097 0.000 0.846 69 Q CB -0.388 28.304 28.738 -0.077 0.000 0.902 69 Q HN 0.386 nan 8.270 nan 0.000 0.421 70 L N -0.130 120.970 121.223 -0.206 0.000 2.056 70 L HA -0.108 4.263 4.340 0.052 0.000 0.207 70 L C 2.242 179.072 176.870 -0.068 0.000 1.078 70 L CA 1.399 56.116 54.840 -0.204 0.000 0.749 70 L CB -0.522 41.337 42.059 -0.334 0.000 0.901 70 L HN 0.321 nan 8.230 nan 0.000 0.433 71 I N -0.981 119.516 120.570 -0.121 0.000 2.163 71 I HA -0.336 3.865 4.170 0.052 0.000 0.243 71 I C 2.663 178.731 176.117 -0.082 0.000 1.085 71 I CA 1.257 62.473 61.300 -0.139 0.000 1.347 71 I CB -0.293 37.670 38.000 -0.062 0.000 1.044 71 I HN 0.195 nan 8.210 nan 0.000 0.408 72 R N 0.647 121.082 120.500 -0.107 0.000 2.083 72 R HA -0.189 4.182 4.340 0.052 0.000 0.237 72 R C 2.245 178.577 176.300 0.054 0.000 1.137 72 R CA 1.651 57.618 56.100 -0.222 0.000 0.951 72 R CB -0.342 29.702 30.300 -0.426 0.000 0.851 72 R HN 0.416 nan 8.270 nan 0.000 0.434 73 E N 0.216 120.469 120.200 0.087 0.000 2.085 73 E HA -0.203 4.178 4.350 0.052 0.000 0.194 73 E C 2.040 178.737 176.600 0.162 0.000 0.994 73 E CA 1.264 57.798 56.400 0.223 0.000 0.801 73 E CB -0.118 29.808 29.700 0.376 0.000 0.743 73 E HN 0.397 nan 8.360 nan 0.000 0.453 74 A N 0.409 123.160 122.820 -0.114 0.000 1.898 74 A HA -0.174 4.177 4.320 0.052 0.000 0.216 74 A C 1.781 179.184 177.584 -0.302 0.000 1.181 74 A CA 1.145 52.772 52.037 -0.684 0.000 0.620 74 A CB -0.676 17.470 19.000 -1.423 0.000 0.819 74 A HN 0.251 nan 8.150 nan 0.000 0.442 75 Y N 0.413 120.711 120.300 -0.003 0.000 2.352 75 Y HA -0.122 4.458 4.550 0.049 0.000 0.292 75 Y C 2.366 178.413 175.900 0.246 0.000 1.136 75 Y CA 1.444 59.636 58.100 0.153 0.000 1.227 75 Y CB -0.376 38.214 38.460 0.217 0.000 0.991 75 Y HN 0.478 nan 8.280 nan 0.000 0.545 76 E N -0.695 119.740 120.200 0.393 0.000 2.072 76 E HA -0.144 4.237 4.350 0.052 0.000 0.190 76 E C 0.523 177.259 176.600 0.227 0.000 0.982 76 E CA 0.948 57.529 56.400 0.301 0.000 0.803 76 E CB 0.001 29.861 29.700 0.268 0.000 0.755 76 E HN 0.117 nan 8.360 nan 0.000 0.453 77 D N 0.238 120.775 120.400 0.228 0.000 2.517 77 D HA -0.035 4.636 4.640 0.052 0.000 0.220 77 D C 0.287 176.687 176.300 0.167 0.000 1.158 77 D CA -0.272 53.813 54.000 0.142 0.000 0.992 77 D CB -0.076 40.904 40.800 0.299 0.000 1.058 77 D HN 0.201 nan 8.370 nan 0.000 0.516 78 Y N 1.276 121.673 120.300 0.162 0.000 2.509 78 Y HA 0.135 4.715 4.550 0.051 0.000 0.293 78 Y C 1.891 177.805 175.900 0.024 0.000 1.133 78 Y CA 0.278 58.461 58.100 0.139 0.000 1.283 78 Y CB -0.350 38.200 38.460 0.150 0.000 1.001 78 Y HN 0.076 nan 8.280 nan 0.000 0.555 79 R N -0.131 120.193 120.500 -0.293 0.000 2.081 79 R HA -0.116 4.255 4.340 0.052 0.000 0.235 79 R C 1.538 177.596 176.300 -0.403 0.000 1.131 79 R CA 2.064 57.971 56.100 -0.322 0.000 0.960 79 R CB -0.437 29.554 30.300 -0.515 0.000 0.856 79 R HN 0.574 nan 8.270 nan 0.000 0.436 80 H N -1.952 116.870 119.070 -0.412 0.000 2.451 80 H HA 0.086 4.672 4.556 0.051 0.000 0.294 80 H C -0.189 174.709 175.328 -0.716 0.000 1.028 80 H CA 0.334 55.941 56.048 -0.736 0.000 1.349 80 H CB 0.416 29.362 29.762 -1.359 0.000 1.444 80 H HN -0.029 nan 8.280 nan 0.000 0.538 81 F N 0.990 120.932 119.950 -0.014 0.000 2.307 81 F HA 0.288 4.844 4.527 0.049 0.000 0.369 81 F C 0.213 176.048 175.800 0.058 0.000 1.076 81 F CA -0.711 57.283 58.000 -0.011 0.000 1.149 81 F CB 1.179 40.127 39.000 -0.087 0.000 1.410 81 F HN -0.108 nan 8.300 nan 0.000 0.481 82 S N 0.962 116.767 115.700 0.176 0.000 2.562 82 S HA 0.229 4.730 4.470 0.052 0.000 0.275 82 S C 1.105 175.780 174.600 0.125 0.000 1.281 82 S CA -0.333 57.959 58.200 0.154 0.000 1.045 82 S CB 0.831 64.090 63.200 0.097 0.000 0.962 82 S HN 0.637 nan 8.310 nan 0.000 0.503 83 S N 2.722 118.485 115.700 0.105 0.000 2.631 83 S HA 0.098 4.599 4.470 0.052 0.000 0.217 83 S C 1.248 175.844 174.600 -0.006 0.000 0.958 83 S CA 0.237 58.438 58.200 0.002 0.000 0.920 83 S CB -0.211 62.899 63.200 -0.149 0.000 0.776 83 S HN 0.862 nan 8.310 nan 0.000 0.517 84 E N 0.248 120.471 120.200 0.039 0.000 2.118 84 E HA -0.168 4.213 4.350 0.052 0.000 0.195 84 E C 0.109 176.713 176.600 0.007 0.000 0.992 84 E CA 1.010 57.433 56.400 0.038 0.000 0.804 84 E CB 0.025 29.753 29.700 0.047 0.000 0.741 84 E HN 0.587 nan 8.360 nan 0.000 0.458 85 C N 1.590 120.883 119.300 -0.012 0.000 2.816 85 C HA 0.426 4.917 4.460 0.052 0.000 0.255 85 C C -2.065 172.885 174.990 -0.067 0.000 1.141 85 C CA -1.554 57.439 59.018 -0.041 0.000 1.554 85 C CB 0.786 28.529 27.740 0.005 0.000 1.778 85 C HN 0.288 nan 8.230 nan 0.000 0.429 86 P HA 0.155 nan 4.420 nan 0.000 0.257 86 P C 0.090 177.451 177.300 0.101 0.000 1.241 86 P CA 0.344 63.376 63.100 -0.113 0.000 0.816 86 P CB 0.160 31.682 31.700 -0.296 0.000 1.150 87 F N 0.300 120.049 119.950 -0.335 0.000 2.458 87 F HA 0.390 4.940 4.527 0.038 0.000 0.330 87 F C 0.890 176.591 175.800 -0.166 0.000 1.082 87 F CA -1.537 56.317 58.000 -0.243 0.000 0.995 87 F CB 1.561 40.379 39.000 -0.305 0.000 1.170 87 F HN -0.346 nan 8.300 nan 0.000 0.478 88 I N 4.113 124.682 120.570 -0.002 0.000 2.428 88 I HA 0.282 4.483 4.170 0.052 0.000 0.296 88 I C -2.004 174.215 176.117 0.169 0.000 0.985 88 I CA -2.709 58.575 61.300 -0.026 0.000 1.260 88 I CB 1.025 38.868 38.000 -0.262 0.000 1.389 88 I HN 0.267 nan 8.210 nan 0.000 0.484 89 P HA 0.258 nan 4.420 nan 0.000 0.277 89 P C 0.688 178.010 177.300 0.037 0.000 1.271 89 P CA -0.551 62.590 63.100 0.069 0.000 0.795 89 P CB 1.215 32.953 31.700 0.062 0.000 1.101 90 R N 0.368 120.888 120.500 0.034 0.000 2.103 90 R HA -0.220 4.151 4.340 0.052 0.000 0.242 90 R C 1.860 178.169 176.300 0.015 0.000 1.142 90 R CA 2.172 58.289 56.100 0.029 0.000 0.960 90 R CB -0.343 29.987 30.300 0.050 0.000 0.858 90 R HN 0.451 nan 8.270 nan 0.000 0.439 91 E N 0.073 120.288 120.200 0.025 0.000 2.110 91 E HA -0.155 4.226 4.350 0.052 0.000 0.193 91 E C 1.837 178.441 176.600 0.006 0.000 0.988 91 E CA 1.402 57.819 56.400 0.028 0.000 0.804 91 E CB -0.250 29.476 29.700 0.044 0.000 0.745 91 E HN 0.467 nan 8.360 nan 0.000 0.458 92 A N 1.013 123.820 122.820 -0.021 0.000 1.855 92 A HA -0.028 4.323 4.320 0.052 0.000 0.215 92 A C 2.522 179.848 177.584 -0.430 0.000 1.191 92 A CA 1.662 53.571 52.037 -0.213 0.000 0.613 92 A CB -1.377 17.574 19.000 -0.082 0.000 0.829 92 A HN 0.352 nan 8.150 nan 0.000 0.442 93 G N -0.492 108.195 108.800 -0.188 0.000 2.442 93 G HA2 -0.239 3.752 3.960 0.052 0.000 0.219 93 G HA3 -0.239 3.752 3.960 0.052 0.000 0.219 93 G C 1.429 176.257 174.900 -0.120 0.000 1.141 93 G CA 1.110 46.107 45.100 -0.172 0.000 0.763 93 G HN 0.667 nan 8.290 nan 0.000 0.554 94 E N 0.346 120.507 120.200 -0.065 0.000 2.072 94 E HA 0.009 4.390 4.350 0.052 0.000 0.191 94 E C 2.890 179.482 176.600 -0.014 0.000 0.985 94 E CA 0.749 57.138 56.400 -0.019 0.000 0.801 94 E CB -0.152 29.552 29.700 0.007 0.000 0.750 94 E HN 0.419 nan 8.360 nan 0.000 0.452 95 A N 0.734 123.543 122.820 -0.018 0.000 2.014 95 A HA -0.129 4.222 4.320 0.052 0.000 0.218 95 A C 0.771 178.371 177.584 0.026 0.000 1.163 95 A CA 0.280 52.347 52.037 0.049 0.000 0.652 95 A CB -0.445 18.672 19.000 0.195 0.000 0.808 95 A HN 0.309 nan 8.150 nan 0.000 0.449 96 Y N 2.217 122.327 120.300 -0.316 0.000 2.650 96 Y HA 0.209 4.783 4.550 0.040 0.000 0.331 96 Y C 0.413 176.157 175.900 -0.259 0.000 1.165 96 Y CA -0.084 57.757 58.100 -0.431 0.000 1.473 96 Y CB 0.503 38.474 38.460 -0.814 0.000 1.224 96 Y HN 0.449 nan 8.280 nan 0.000 0.533 97 D N 4.028 124.184 120.400 -0.406 0.000 2.602 97 D HA 0.014 4.685 4.640 0.052 0.000 0.265 97 D C -0.613 175.602 176.300 -0.142 0.000 1.454 97 D CA -0.326 53.586 54.000 -0.146 0.000 0.795 97 D CB -0.983 39.779 40.800 -0.063 0.000 1.140 97 D HN 0.179 nan 8.370 nan 0.000 0.486 98 F N 1.222 120.964 119.950 -0.346 0.000 2.539 98 F HA 0.312 4.878 4.527 0.065 0.000 0.340 98 F C 1.192 176.954 175.800 -0.064 0.000 1.185 98 F CA -0.312 57.555 58.000 -0.222 0.000 1.333 98 F CB 0.457 39.226 39.000 -0.386 0.000 1.152 98 F HN -0.109 nan 8.300 nan 0.000 0.602 99 I N 3.709 124.365 120.570 0.145 0.000 2.509 99 I HA 0.229 4.430 4.170 0.052 0.000 0.293 99 I C -1.809 174.328 176.117 0.033 0.000 1.020 99 I CA -1.779 59.498 61.300 -0.039 0.000 1.088 99 I CB 2.469 40.256 38.000 -0.355 0.000 1.267 99 I HN 0.350 nan 8.210 nan 0.000 0.430 100 P HA 0.054 nan 4.420 nan 0.000 0.245 100 P C 1.102 178.565 177.300 0.273 0.000 1.206 100 P CA 0.482 63.660 63.100 0.129 0.000 0.781 100 P CB 0.143 31.951 31.700 0.180 0.000 0.994 101 T N -0.441 114.299 114.554 0.308 0.000 2.833 101 T HA -0.118 4.263 4.350 0.052 0.000 0.269 101 T C 1.748 176.563 174.700 0.191 0.000 1.054 101 T CA 1.939 64.214 62.100 0.292 0.000 1.135 101 T CB -0.685 68.382 68.868 0.331 0.000 0.869 101 T HN 0.283 nan 8.240 nan 0.000 0.466 102 S N -0.075 115.798 115.700 0.289 0.000 2.603 102 S HA 0.275 4.776 4.470 0.052 0.000 0.220 102 S C 0.532 175.215 174.600 0.138 0.000 0.967 102 S CA -0.194 58.127 58.200 0.203 0.000 0.920 102 S CB -0.477 62.872 63.200 0.248 0.000 0.773 102 S HN 0.349 nan 8.310 nan 0.000 0.529 103 M N 2.049 121.760 119.600 0.186 0.000 2.472 103 M HA 0.467 4.978 4.480 0.052 0.000 0.331 103 M C -0.943 175.495 176.300 0.230 0.000 1.170 103 M CA -0.619 54.781 55.300 0.166 0.000 1.009 103 M CB 1.477 34.157 32.600 0.133 0.000 1.672 103 M HN 0.037 nan 8.290 nan 0.000 0.453 104 D N 2.218 122.698 120.400 0.132 0.000 2.268 104 D HA 0.454 5.125 4.640 0.052 0.000 0.249 104 D C -2.435 173.800 176.300 -0.109 0.000 1.008 104 D CA -1.250 52.779 54.000 0.049 0.000 0.939 104 D CB 1.149 41.992 40.800 0.071 0.000 1.170 104 D HN 0.162 nan 8.370 nan 0.000 0.468 105 P HA 0.038 nan 4.420 nan 0.000 0.267 105 P C -1.637 175.562 177.300 -0.168 0.000 1.200 105 P CA -0.696 62.187 63.100 -0.362 0.000 0.772 105 P CB 0.164 31.430 31.700 -0.724 0.000 0.855 106 P HA -0.112 nan 4.420 nan 0.000 0.221 106 P C 1.149 178.430 177.300 -0.031 0.000 1.155 106 P CA 1.201 64.271 63.100 -0.051 0.000 0.812 106 P CB -0.046 31.649 31.700 -0.009 0.000 0.801 107 E N 0.635 120.845 120.200 0.016 0.000 2.265 107 E HA -0.237 4.143 4.350 0.052 0.000 0.196 107 E C 2.206 178.903 176.600 0.162 0.000 0.996 107 E CA 0.606 57.056 56.400 0.082 0.000 0.832 107 E CB -0.629 29.150 29.700 0.132 0.000 0.756 107 E HN 0.227 nan 8.360 nan 0.000 0.491 108 Q N 1.353 121.215 119.800 0.103 0.000 2.050 108 Q HA -0.202 4.169 4.340 0.052 0.000 0.202 108 Q C 2.276 178.354 176.000 0.130 0.000 0.980 108 Q CA 1.513 57.401 55.803 0.142 0.000 0.840 108 Q CB -0.027 28.685 28.738 -0.042 0.000 0.898 108 Q HN 0.351 nan 8.270 nan 0.000 0.424 109 R N 0.409 120.901 120.500 -0.012 0.000 2.096 109 R HA -0.188 4.183 4.340 0.052 0.000 0.235 109 R C 2.515 178.787 176.300 -0.046 0.000 1.127 109 R CA 1.719 57.791 56.100 -0.047 0.000 0.968 109 R CB -0.460 29.791 30.300 -0.081 0.000 0.861 109 R HN 0.581 nan 8.270 nan 0.000 0.440 110 Q N 0.014 119.745 119.800 -0.116 0.000 2.197 110 Q HA -0.185 4.186 4.340 0.052 0.000 0.207 110 Q C 1.522 177.351 176.000 -0.284 0.000 0.984 110 Q CA 1.730 57.384 55.803 -0.248 0.000 0.869 110 Q CB -0.503 27.994 28.738 -0.401 0.000 0.906 110 Q HN 0.340 nan 8.270 nan 0.000 0.426 111 F N 0.931 120.873 119.950 -0.013 0.000 2.367 111 F HA 0.108 4.669 4.527 0.056 0.000 0.298 111 F C 2.414 178.214 175.800 0.001 0.000 1.094 111 F CA 0.574 58.576 58.000 0.002 0.000 1.409 111 F CB 0.019 39.032 39.000 0.022 0.000 1.064 111 F HN -0.050 nan 8.300 nan 0.000 0.528 112 R N 0.448 121.028 120.500 0.134 0.000 2.081 112 R HA -0.145 4.226 4.340 0.052 0.000 0.235 112 R C 2.500 178.824 176.300 0.040 0.000 1.131 112 R CA 1.232 57.376 56.100 0.073 0.000 0.960 112 R CB -0.822 29.493 30.300 0.025 0.000 0.856 112 R HN 0.280 nan 8.270 nan 0.000 0.436 113 A N 1.360 124.184 122.820 0.008 0.000 1.908 113 A HA -0.187 4.164 4.320 0.052 0.000 0.218 113 A C 2.099 179.686 177.584 0.005 0.000 1.181 113 A CA 1.233 53.266 52.037 -0.008 0.000 0.627 113 A CB -0.505 18.475 19.000 -0.034 0.000 0.818 113 A HN 0.231 nan 8.150 nan 0.000 0.445 114 L N -0.276 120.958 121.223 0.019 0.000 2.017 114 L HA -0.068 4.303 4.340 0.052 0.000 0.208 114 L C 2.743 179.644 176.870 0.052 0.000 1.073 114 L CA 2.251 57.113 54.840 0.037 0.000 0.745 114 L CB -0.910 41.188 42.059 0.065 0.000 0.894 114 L HN 0.356 nan 8.230 nan 0.000 0.432 115 A N -0.528 122.338 122.820 0.076 0.000 1.908 115 A HA -0.251 4.100 4.320 0.052 0.000 0.218 115 A C 2.110 179.720 177.584 0.043 0.000 1.181 115 A CA 1.920 53.998 52.037 0.068 0.000 0.627 115 A CB -0.868 18.181 19.000 0.082 0.000 0.818 115 A HN 0.614 nan 8.150 nan 0.000 0.445 116 N N -0.236 118.482 118.700 0.030 0.000 2.205 116 N HA -0.179 4.592 4.740 0.052 0.000 0.186 116 N C 1.789 177.297 175.510 -0.004 0.000 1.015 116 N CA 1.375 54.431 53.050 0.010 0.000 0.862 116 N CB -0.397 38.090 38.487 -0.001 0.000 0.986 116 N HN 0.673 nan 8.380 nan 0.000 0.429 117 Q N -0.031 119.768 119.800 -0.001 0.000 2.226 117 Q HA -0.089 4.282 4.340 0.052 0.000 0.204 117 Q C 1.821 177.814 176.000 -0.012 0.000 0.975 117 Q CA 1.172 56.969 55.803 -0.010 0.000 0.866 117 Q CB 0.283 29.017 28.738 -0.007 0.000 0.915 117 Q HN 0.415 nan 8.270 nan 0.000 0.440 118 V N -3.873 116.041 119.914 0.000 0.000 3.523 118 V HA 0.089 4.240 4.120 0.052 0.000 0.255 118 V C 1.398 177.491 176.094 -0.001 0.000 1.226 118 V CA 0.549 62.845 62.300 -0.007 0.000 1.092 118 V CB 0.734 32.556 31.823 -0.001 0.000 0.817 118 V HN 0.188 nan 8.190 nan 0.000 0.458 119 V N -2.037 117.888 119.914 0.019 0.000 3.398 119 V HA 0.728 4.878 4.120 0.052 0.000 0.298 119 V C 0.994 177.099 176.094 0.018 0.000 1.496 119 V CA 0.311 62.631 62.300 0.033 0.000 1.044 119 V CB -0.465 31.405 31.823 0.079 0.000 0.880 119 V HN 0.455 nan 8.190 nan 0.000 0.443 120 G N -0.207 108.588 108.800 -0.008 0.000 2.588 120 G HA2 0.350 4.341 3.960 0.052 0.000 0.278 120 G HA3 0.350 4.341 3.960 0.052 0.000 0.278 120 G C 0.505 175.338 174.900 -0.112 0.000 1.307 120 G CA 0.103 45.176 45.100 -0.044 0.000 1.016 120 G HN 0.177 nan 8.290 nan 0.000 0.503 121 M N 0.567 120.004 119.600 -0.271 0.000 2.082 121 M HA -0.040 4.471 4.480 0.052 0.000 0.258 121 M C -0.255 175.948 176.300 -0.162 0.000 1.069 121 M CA 2.007 57.100 55.300 -0.344 0.000 1.102 121 M CB -0.917 31.329 32.600 -0.591 0.000 1.336 121 M HN 0.327 nan 8.290 nan 0.000 0.404 122 P HA -0.108 nan 4.420 nan 0.000 0.218 122 P C 1.701 178.968 177.300 -0.055 0.000 1.148 122 P CA 1.217 64.272 63.100 -0.076 0.000 0.822 122 P CB -0.144 31.518 31.700 -0.063 0.000 0.784 123 V N -0.506 119.376 119.914 -0.053 0.000 2.323 123 V HA -0.176 3.975 4.120 0.052 0.000 0.244 123 V C 2.467 178.543 176.094 -0.030 0.000 1.041 123 V CA 1.597 63.874 62.300 -0.039 0.000 1.025 123 V CB -1.205 30.596 31.823 -0.036 0.000 0.656 123 V HN -0.050 nan 8.190 nan 0.000 0.451 124 V N 0.275 120.172 119.914 -0.029 0.000 2.392 124 V HA -0.296 3.855 4.120 0.052 0.000 0.249 124 V C 2.294 178.387 176.094 -0.002 0.000 1.059 124 V CA 2.220 64.516 62.300 -0.006 0.000 1.051 124 V CB -0.765 31.067 31.823 0.015 0.000 0.658 124 V HN 0.541 nan 8.190 nan 0.000 0.455 125 D N -0.086 120.304 120.400 -0.017 0.000 2.117 125 D HA -0.170 4.501 4.640 0.052 0.000 0.197 125 D C 2.252 178.550 176.300 -0.004 0.000 0.987 125 D CA 1.316 55.311 54.000 -0.008 0.000 0.829 125 D CB -0.182 40.606 40.800 -0.021 0.000 0.961 125 D HN 0.348 nan 8.370 nan 0.000 0.460 126 K N -0.199 120.194 120.400 -0.012 0.000 2.147 126 K HA 0.018 4.369 4.320 0.052 0.000 0.205 126 K C 1.901 178.497 176.600 -0.007 0.000 1.049 126 K CA 0.536 56.816 56.287 -0.012 0.000 0.936 126 K CB 0.052 32.540 32.500 -0.020 0.000 0.722 126 K HN 0.108 nan 8.250 nan 0.000 0.446 127 L N -0.231 120.988 121.223 -0.006 0.000 2.529 127 L HA 0.047 4.418 4.340 0.052 0.000 0.223 127 L C 2.047 178.928 176.870 0.017 0.000 1.113 127 L CA 0.183 55.021 54.840 -0.003 0.000 0.861 127 L CB -0.025 42.024 42.059 -0.016 0.000 1.012 127 L HN 0.236 nan 8.230 nan 0.000 0.461 128 E N 1.103 121.319 120.200 0.027 0.000 2.085 128 E HA -0.253 4.128 4.350 0.052 0.000 0.194 128 E C 1.652 178.289 176.600 0.061 0.000 0.994 128 E CA 1.779 58.209 56.400 0.051 0.000 0.801 128 E CB 0.059 29.789 29.700 0.049 0.000 0.743 128 E HN 0.572 nan 8.360 nan 0.000 0.453 129 N N -0.302 118.425 118.700 0.045 0.000 2.120 129 N HA -0.133 4.638 4.740 0.052 0.000 0.188 129 N C 1.919 177.462 175.510 0.056 0.000 1.024 129 N CA 0.753 53.832 53.050 0.047 0.000 0.852 129 N CB -0.003 38.503 38.487 0.032 0.000 1.003 129 N HN 0.056 nan 8.380 nan 0.000 0.424 130 R N 0.975 121.502 120.500 0.044 0.000 2.096 130 R HA -0.022 4.349 4.340 0.052 0.000 0.235 130 R C 2.148 178.496 176.300 0.079 0.000 1.127 130 R CA 0.727 56.854 56.100 0.046 0.000 0.968 130 R CB -0.758 29.553 30.300 0.018 0.000 0.861 130 R HN 0.377 nan 8.270 nan 0.000 0.440 131 I N 0.894 121.517 120.570 0.088 0.000 2.142 131 I HA -0.334 3.867 4.170 0.052 0.000 0.240 131 I C 2.829 179.128 176.117 0.304 0.000 1.078 131 I CA 1.410 62.808 61.300 0.162 0.000 1.343 131 I CB -0.335 37.740 38.000 0.124 0.000 1.046 131 I HN 0.187 nan 8.210 nan 0.000 0.405 132 Q N 0.971 120.895 119.800 0.206 0.000 2.045 132 Q HA -0.325 4.046 4.340 0.052 0.000 0.206 132 Q C 2.133 178.222 176.000 0.147 0.000 0.991 132 Q CA 2.430 58.336 55.803 0.172 0.000 0.851 132 Q CB -0.182 28.622 28.738 0.110 0.000 0.911 132 Q HN 0.446 nan 8.270 nan 0.000 0.418 133 E N -0.513 119.757 120.200 0.117 0.000 2.097 133 E HA -0.249 4.132 4.350 0.052 0.000 0.196 133 E C 1.946 178.614 176.600 0.114 0.000 1.000 133 E CA 1.318 57.773 56.400 0.092 0.000 0.804 133 E CB -0.187 29.553 29.700 0.068 0.000 0.740 133 E HN 0.388 nan 8.360 nan 0.000 0.454 134 L N 0.733 122.055 121.223 0.164 0.000 2.046 134 L HA -0.074 4.297 4.340 0.052 0.000 0.208 134 L C 2.280 179.285 176.870 0.224 0.000 1.077 134 L CA 2.157 57.115 54.840 0.195 0.000 0.747 134 L CB -0.847 41.346 42.059 0.223 0.000 0.896 134 L HN 0.212 nan 8.230 nan 0.000 0.432 135 A N -1.229 121.740 122.820 0.249 0.000 1.883 135 A HA -0.266 4.085 4.320 0.052 0.000 0.217 135 A C 2.416 180.062 177.584 0.103 0.000 1.186 135 A CA 2.012 54.082 52.037 0.055 0.000 0.624 135 A CB -1.511 17.426 19.000 -0.104 0.000 0.822 135 A HN 0.620 nan 8.150 nan 0.000 0.444 136 C N -1.251 118.092 119.300 0.071 0.000 2.432 136 C HA -0.076 4.415 4.460 0.052 0.000 0.277 136 C C 3.305 178.312 174.990 0.028 0.000 1.249 136 C CA 1.362 60.396 59.018 0.028 0.000 1.725 136 C CB -1.215 26.540 27.740 0.025 0.000 2.028 136 C HN 0.715 nan 8.230 nan 0.000 0.477 137 S N 0.488 116.220 115.700 0.055 0.000 2.359 137 S HA -0.168 4.333 4.470 0.052 0.000 0.222 137 S C 1.774 176.410 174.600 0.059 0.000 1.038 137 S CA 1.812 60.042 58.200 0.050 0.000 1.051 137 S CB -0.438 62.797 63.200 0.059 0.000 0.944 137 S HN 0.584 nan 8.310 nan 0.000 0.433 138 L N 0.723 122.005 121.223 0.099 0.000 2.012 138 L HA -0.128 4.243 4.340 0.052 0.000 0.210 138 L C 2.503 179.446 176.870 0.121 0.000 1.073 138 L CA 1.621 56.543 54.840 0.137 0.000 0.748 138 L CB -0.575 41.602 42.059 0.196 0.000 0.891 138 L HN 0.391 nan 8.230 nan 0.000 0.431 139 I N -0.610 120.005 120.570 0.075 0.000 2.252 139 I HA -0.239 3.962 4.170 0.052 0.000 0.245 139 I C 2.619 178.623 176.117 -0.188 0.000 1.102 139 I CA 0.925 62.135 61.300 -0.149 0.000 1.385 139 I CB -0.219 37.611 38.000 -0.283 0.000 1.064 139 I HN 0.247 nan 8.210 nan 0.000 0.414 140 E N 0.871 121.011 120.200 -0.101 0.000 2.110 140 E HA -0.232 4.149 4.350 0.052 0.000 0.193 140 E C 2.244 178.825 176.600 -0.030 0.000 0.988 140 E CA 1.769 58.122 56.400 -0.079 0.000 0.804 140 E CB -0.277 29.396 29.700 -0.045 0.000 0.745 140 E HN 0.296 nan 8.360 nan 0.000 0.458 141 S N -0.806 114.896 115.700 0.003 0.000 2.382 141 S HA -0.089 4.412 4.470 0.052 0.000 0.228 141 S C 1.931 176.567 174.600 0.060 0.000 1.027 141 S CA 1.193 59.413 58.200 0.033 0.000 0.991 141 S CB -0.263 62.965 63.200 0.046 0.000 0.823 141 S HN 0.369 nan 8.310 nan 0.000 0.469 142 L N 0.821 122.085 121.223 0.069 0.000 2.131 142 L HA 0.077 4.448 4.340 0.052 0.000 0.206 142 L C 2.873 179.898 176.870 0.258 0.000 1.087 142 L CA 1.031 55.973 54.840 0.170 0.000 0.767 142 L CB -0.581 41.598 42.059 0.201 0.000 0.917 142 L HN 0.313 nan 8.230 nan 0.000 0.441 143 R N 0.824 121.359 120.500 0.057 0.000 2.133 143 R HA -0.205 4.166 4.340 0.052 0.000 0.245 143 R C -0.580 175.904 176.300 0.307 0.000 1.137 143 R CA 2.373 58.508 56.100 0.059 0.000 0.947 143 R CB -1.289 28.932 30.300 -0.132 0.000 0.865 143 R HN 0.269 nan 8.270 nan 0.000 0.437 144 P HA -0.070 nan 4.420 nan 0.000 0.233 144 P C 0.426 177.780 177.300 0.090 0.000 1.167 144 P CA 1.121 64.295 63.100 0.124 0.000 0.770 144 P CB -0.004 31.732 31.700 0.060 0.000 0.837 145 Q N -0.560 119.300 119.800 0.099 0.000 2.230 145 Q HA 0.075 4.446 4.340 0.052 0.000 0.202 145 Q C 1.586 177.411 176.000 -0.293 0.000 0.963 145 Q CA 0.990 56.764 55.803 -0.050 0.000 0.866 145 Q CB -0.476 28.251 28.738 -0.019 0.000 0.931 145 Q HN 0.273 nan 8.270 nan 0.000 0.452 146 G N 1.427 109.873 108.800 -0.591 0.000 2.162 146 G HA2 -0.316 3.675 3.960 0.052 0.000 0.260 146 G HA3 -0.316 3.675 3.960 0.052 0.000 0.260 146 G C -0.085 173.793 174.900 -1.704 0.000 0.976 146 G CA 0.722 45.018 45.100 -1.339 0.000 0.655 146 G HN 0.460 nan 8.290 nan 0.000 0.533 147 Q N -1.756 117.075 119.800 -1.616 0.000 2.666 147 Q HA 0.604 4.975 4.340 0.052 0.000 0.276 147 Q C -0.381 175.428 176.000 -0.319 0.000 0.952 147 Q CA -0.754 54.520 55.803 -0.881 0.000 0.850 147 Q CB 1.148 29.646 28.738 -0.400 0.000 1.512 147 Q HN 1.440 nan 8.270 nan 0.000 0.395 148 C N -0.668 118.663 119.300 0.052 0.000 3.311 148 C HA 0.698 5.189 4.460 0.052 0.000 0.325 148 C C -1.387 173.722 174.990 0.199 0.000 1.352 148 C CA -0.904 58.250 59.018 0.227 0.000 1.308 148 C CB 0.969 29.000 27.740 0.485 0.000 1.619 148 C HN 1.027 nan 8.230 nan 0.000 0.469 149 N N 0.707 119.503 118.700 0.161 0.000 2.558 149 N HA 0.362 5.133 4.740 0.052 0.000 0.233 149 N C 0.097 175.703 175.510 0.160 0.000 1.038 149 N CA -0.484 52.645 53.050 0.131 0.000 0.934 149 N CB 0.600 39.129 38.487 0.070 0.000 1.175 149 N HN 0.649 nan 8.380 nan 0.000 0.512 150 F N 2.242 122.227 119.950 0.057 0.000 2.171 150 F HA -0.223 4.334 4.527 0.051 0.000 0.300 150 F C 2.532 178.359 175.800 0.045 0.000 1.090 150 F CA 1.558 59.583 58.000 0.041 0.000 1.293 150 F CB -0.184 38.758 39.000 -0.096 0.000 1.013 150 F HN 0.430 nan 8.300 nan 0.000 0.486 151 T N -1.395 113.179 114.554 0.033 0.000 2.708 151 T HA -0.274 4.107 4.350 0.052 0.000 0.266 151 T C 1.739 176.380 174.700 -0.098 0.000 1.037 151 T CA 1.561 63.631 62.100 -0.050 0.000 1.146 151 T CB -0.779 68.082 68.868 -0.012 0.000 0.865 151 T HN 0.685 nan 8.240 nan 0.000 0.435 152 E N 0.592 120.762 120.200 -0.048 0.000 2.340 152 E HA -0.031 4.350 4.350 0.052 0.000 0.194 152 E C 1.077 177.656 176.600 -0.034 0.000 0.996 152 E CA 0.620 56.999 56.400 -0.035 0.000 0.869 152 E CB -0.043 29.654 29.700 -0.005 0.000 0.835 152 E HN 0.393 nan 8.360 nan 0.000 0.493 153 D N -0.629 119.756 120.400 -0.025 0.000 2.333 153 D HA 0.019 4.689 4.640 0.052 0.000 0.208 153 D C 0.651 176.971 176.300 0.034 0.000 0.984 153 D CA 0.720 54.740 54.000 0.034 0.000 0.873 153 D CB 0.287 41.161 40.800 0.122 0.000 0.935 153 D HN 0.303 nan 8.370 nan 0.000 0.521 154 Y N -0.243 119.871 120.300 -0.311 0.000 3.147 154 Y HA 0.312 4.892 4.550 0.052 0.000 0.219 154 Y C 2.000 177.668 175.900 -0.385 0.000 1.021 154 Y CA 0.581 58.458 58.100 -0.372 0.000 1.440 154 Y CB -0.185 37.956 38.460 -0.532 0.000 1.472 154 Y HN -0.149 nan 8.280 nan 0.000 0.408 155 A N 1.005 123.516 122.820 -0.514 0.000 1.917 155 A HA -0.234 4.117 4.320 0.052 0.000 0.219 155 A C 1.791 179.327 177.584 -0.080 0.000 1.182 155 A CA 2.465 54.384 52.037 -0.197 0.000 0.633 155 A CB -0.650 18.264 19.000 -0.143 0.000 0.819 155 A HN 0.699 nan 8.150 nan 0.000 0.448 156 E N -0.821 119.312 120.200 -0.112 0.000 2.014 156 E HA -0.090 4.291 4.350 0.052 0.000 0.190 156 E C -0.521 176.031 176.600 -0.079 0.000 0.980 156 E CA 0.928 57.286 56.400 -0.070 0.000 0.807 156 E CB -0.669 29.000 29.700 -0.052 0.000 0.770 156 E HN 0.505 nan 8.360 nan 0.000 0.451 157 P HA -0.178 nan 4.420 nan 0.000 0.218 157 P C 1.386 178.625 177.300 -0.100 0.000 1.149 157 P CA 1.080 64.133 63.100 -0.078 0.000 0.817 157 P CB -0.068 31.596 31.700 -0.059 0.000 0.785 158 F N 2.864 122.593 119.950 -0.368 0.000 2.046 158 F HA -0.072 4.486 4.527 0.052 0.000 0.297 158 F C -0.896 174.797 175.800 -0.179 0.000 1.123 158 F CA 1.856 59.607 58.000 -0.415 0.000 1.199 158 F CB -1.954 36.470 39.000 -0.959 0.000 0.972 158 F HN -0.018 nan 8.300 nan 0.000 0.474 159 P HA -0.073 nan 4.420 nan 0.000 0.217 159 P C 2.030 179.224 177.300 -0.176 0.000 1.151 159 P CA 1.787 64.667 63.100 -0.367 0.000 0.828 159 P CB -0.076 31.545 31.700 -0.133 0.000 0.788 160 I N -0.843 119.664 120.570 -0.105 0.000 2.286 160 I HA -0.153 4.048 4.170 0.052 0.000 0.245 160 I C 2.486 178.608 176.117 0.008 0.000 1.104 160 I CA 1.191 62.479 61.300 -0.020 0.000 1.397 160 I CB -0.357 37.628 38.000 -0.024 0.000 1.072 160 I HN -0.170 nan 8.210 nan 0.000 0.417 161 R N 0.426 120.900 120.500 -0.044 0.000 2.115 161 R HA -0.094 4.277 4.340 0.052 0.000 0.230 161 R C 2.235 178.508 176.300 -0.045 0.000 1.111 161 R CA 1.059 57.141 56.100 -0.030 0.000 0.976 161 R CB -0.132 30.149 30.300 -0.032 0.000 0.870 161 R HN 0.266 nan 8.270 nan 0.000 0.445 162 I N 0.133 120.645 120.570 -0.096 0.000 2.202 162 I HA -0.259 3.942 4.170 0.052 0.000 0.242 162 I C 2.170 178.256 176.117 -0.050 0.000 1.091 162 I CA 1.287 62.526 61.300 -0.102 0.000 1.368 162 I CB -0.928 36.952 38.000 -0.200 0.000 1.058 162 I HN 0.061 nan 8.210 nan 0.000 0.410 163 F N 1.542 121.424 119.950 -0.113 0.000 2.134 163 F HA -0.255 4.304 4.527 0.054 0.000 0.299 163 F C 2.609 178.381 175.800 -0.047 0.000 1.097 163 F CA 1.621 59.576 58.000 -0.074 0.000 1.264 163 F CB -0.117 38.841 39.000 -0.071 0.000 1.001 163 F HN -0.073 nan 8.300 nan 0.000 0.479 164 M N -0.313 119.312 119.600 0.041 0.000 2.108 164 M HA -0.186 4.325 4.480 0.052 0.000 0.261 164 M C 2.339 178.576 176.300 -0.105 0.000 1.066 164 M CA 1.401 56.693 55.300 -0.014 0.000 1.107 164 M CB -1.654 30.976 32.600 0.050 0.000 1.356 164 M HN 0.373 nan 8.290 nan 0.000 0.406 165 L N 0.899 122.065 121.223 -0.094 0.000 2.012 165 L HA -0.181 4.190 4.340 0.052 0.000 0.210 165 L C 2.390 179.172 176.870 -0.147 0.000 1.073 165 L CA 1.570 56.353 54.840 -0.095 0.000 0.748 165 L CB -0.786 41.231 42.059 -0.070 0.000 0.891 165 L HN 0.336 nan 8.230 nan 0.000 0.431 166 L N -0.628 120.461 121.223 -0.223 0.000 2.046 166 L HA -0.111 4.260 4.340 0.052 0.000 0.208 166 L C 2.194 178.872 176.870 -0.319 0.000 1.077 166 L CA 1.677 56.358 54.840 -0.266 0.000 0.747 166 L CB -0.485 41.386 42.059 -0.313 0.000 0.896 166 L HN 0.308 nan 8.230 nan 0.000 0.432 167 A N -0.356 122.184 122.820 -0.467 0.000 2.251 167 A HA 0.258 4.609 4.320 0.052 0.000 0.209 167 A C 1.518 179.008 177.584 -0.157 0.000 1.187 167 A CA 0.539 52.359 52.037 -0.361 0.000 0.823 167 A CB -0.754 17.947 19.000 -0.499 0.000 0.846 167 A HN 0.791 nan 8.150 nan 0.000 0.486 168 G N -0.421 108.303 108.800 -0.126 0.000 2.323 168 G HA2 -0.214 3.777 3.960 0.052 0.000 0.292 168 G HA3 -0.214 3.777 3.960 0.052 0.000 0.292 168 G C -0.152 174.738 174.900 -0.016 0.000 1.040 168 G CA 0.625 45.689 45.100 -0.060 0.000 0.942 168 G HN 0.493 nan 8.290 nan 0.000 0.506 169 L N 0.330 121.556 121.223 0.005 0.000 2.334 169 L HA 0.587 4.958 4.340 0.052 0.000 0.273 169 L C -1.763 175.149 176.870 0.071 0.000 1.013 169 L CA -2.546 52.341 54.840 0.080 0.000 0.816 169 L CB 2.092 44.248 42.059 0.163 0.000 1.278 169 L HN -0.038 nan 8.230 nan 0.000 0.431 170 P HA 0.142 nan 4.420 nan 0.000 0.279 170 P C -0.145 177.198 177.300 0.072 0.000 1.239 170 P CA -0.312 62.828 63.100 0.067 0.000 0.789 170 P CB 0.970 32.711 31.700 0.068 0.000 0.933 171 E N 1.356 121.584 120.200 0.047 0.000 2.265 171 E HA -0.209 4.171 4.350 0.052 0.000 0.196 171 E C 1.470 178.097 176.600 0.045 0.000 0.996 171 E CA 1.075 57.499 56.400 0.041 0.000 0.832 171 E CB 0.041 29.756 29.700 0.026 0.000 0.756 171 E HN 0.659 nan 8.360 nan 0.000 0.491 172 E N 0.860 121.090 120.200 0.049 0.000 2.265 172 E HA -0.198 4.183 4.350 0.052 0.000 0.196 172 E C 0.952 177.594 176.600 0.069 0.000 0.996 172 E CA 1.027 57.457 56.400 0.050 0.000 0.832 172 E CB -0.013 29.713 29.700 0.043 0.000 0.756 172 E HN 0.118 nan 8.360 nan 0.000 0.491 173 D N 0.619 121.075 120.400 0.094 0.000 2.355 173 D HA 0.068 4.739 4.640 0.052 0.000 0.218 173 D C 1.695 178.033 176.300 0.063 0.000 1.004 173 D CA 0.231 54.302 54.000 0.119 0.000 0.880 173 D CB 0.044 40.963 40.800 0.198 0.000 0.911 173 D HN 0.298 nan 8.370 nan 0.000 0.528 174 I N 1.376 121.973 120.570 0.046 0.000 2.179 174 I HA -0.206 3.995 4.170 0.052 0.000 0.242 174 I C -0.613 175.516 176.117 0.020 0.000 1.088 174 I CA 1.158 62.469 61.300 0.018 0.000 1.357 174 I CB -1.155 36.855 38.000 0.018 0.000 1.051 174 I HN 0.002 nan 8.210 nan 0.000 0.409 175 P HA -0.212 nan 4.420 nan 0.000 0.216 175 P C 1.423 178.784 177.300 0.102 0.000 1.150 175 P CA 1.625 64.762 63.100 0.061 0.000 0.837 175 P CB -0.086 31.647 31.700 0.055 0.000 0.786 176 H N -0.534 118.541 119.070 0.008 0.000 2.357 176 H HA -0.001 4.586 4.556 0.051 0.000 0.301 176 H C 1.793 177.123 175.328 0.004 0.000 1.082 176 H CA 1.397 57.457 56.048 0.020 0.000 1.342 176 H CB -0.987 28.774 29.762 -0.001 0.000 1.389 176 H HN -0.032 nan 8.280 nan 0.000 0.511 177 L N -0.159 120.933 121.223 -0.218 0.000 2.109 177 L HA -0.095 4.276 4.340 0.052 0.000 0.207 177 L C 2.504 179.245 176.870 -0.215 0.000 1.086 177 L CA 1.384 56.023 54.840 -0.335 0.000 0.760 177 L CB -0.342 41.531 42.059 -0.309 0.000 0.910 177 L HN 0.186 nan 8.230 nan 0.000 0.437 178 K N 0.007 120.341 120.400 -0.110 0.000 2.057 178 K HA -0.258 4.093 4.320 0.052 0.000 0.207 178 K C 2.120 178.684 176.600 -0.060 0.000 1.049 178 K CA 1.610 57.854 56.287 -0.072 0.000 0.931 178 K CB -0.625 31.861 32.500 -0.024 0.000 0.714 178 K HN 0.227 nan 8.250 nan 0.000 0.440 179 Y N 0.844 121.076 120.300 -0.112 0.000 2.097 179 Y HA -0.202 4.379 4.550 0.051 0.000 0.282 179 Y C 1.636 177.461 175.900 -0.124 0.000 1.152 179 Y CA 2.055 60.100 58.100 -0.091 0.000 1.136 179 Y CB -0.360 38.064 38.460 -0.060 0.000 0.975 179 Y HN 0.033 nan 8.280 nan 0.000 0.498 180 L N -0.212 120.797 121.223 -0.357 0.000 2.012 180 L HA -0.246 4.124 4.340 0.052 0.000 0.210 180 L C 2.681 179.346 176.870 -0.342 0.000 1.073 180 L CA 2.161 56.749 54.840 -0.420 0.000 0.748 180 L CB -1.301 40.549 42.059 -0.348 0.000 0.891 180 L HN 0.438 nan 8.230 nan 0.000 0.431 181 T N -3.982 110.424 114.554 -0.247 0.000 2.833 181 T HA -0.176 4.205 4.350 0.052 0.000 0.269 181 T C 1.464 176.100 174.700 -0.107 0.000 1.054 181 T CA 1.351 63.358 62.100 -0.155 0.000 1.135 181 T CB -0.378 68.407 68.868 -0.139 0.000 0.869 181 T HN 0.204 nan 8.240 nan 0.000 0.466 182 D N 1.282 121.592 120.400 -0.151 0.000 2.178 182 D HA -0.062 4.609 4.640 0.052 0.000 0.201 182 D C 2.359 178.585 176.300 -0.124 0.000 0.980 182 D CA 0.848 54.785 54.000 -0.105 0.000 0.842 182 D CB -0.255 40.484 40.800 -0.102 0.000 0.948 182 D HN 0.374 nan 8.370 nan 0.000 0.472 183 Q N -0.486 119.149 119.800 -0.275 0.000 2.369 183 Q HA 0.079 4.450 4.340 0.052 0.000 0.206 183 Q C 1.949 177.914 176.000 -0.060 0.000 0.963 183 Q CA 0.425 56.089 55.803 -0.231 0.000 0.894 183 Q CB -0.143 28.355 28.738 -0.400 0.000 0.965 183 Q HN 0.438 nan 8.270 nan 0.000 0.475 184 M N -0.433 119.166 119.600 -0.001 0.000 2.514 184 M HA -0.020 4.491 4.480 0.052 0.000 0.258 184 M C 1.414 178.005 176.300 0.486 0.000 1.119 184 M CA 1.295 56.752 55.300 0.261 0.000 1.111 184 M CB 0.283 32.978 32.600 0.158 0.000 1.390 184 M HN 0.224 nan 8.290 nan 0.000 0.475 185 T N -2.898 111.822 114.554 0.276 0.000 3.058 185 T HA 0.232 4.613 4.350 0.052 0.000 0.247 185 T C 1.048 175.901 174.700 0.255 0.000 0.987 185 T CA -0.286 61.963 62.100 0.249 0.000 1.062 185 T CB 0.267 69.241 68.868 0.177 0.000 1.048 185 T HN 0.201 nan 8.240 nan 0.000 0.468 186 R N 2.351 122.963 120.500 0.186 0.000 2.653 186 R HA 0.337 4.708 4.340 0.052 0.000 0.269 186 R C -2.994 173.361 176.300 0.093 0.000 1.603 186 R CA -1.712 54.504 56.100 0.194 0.000 1.671 186 R CB 1.286 31.678 30.300 0.152 0.000 1.300 186 R HN 0.356 nan 8.270 nan 0.000 0.668 187 P HA -0.030 nan 4.420 nan 0.000 0.267 187 P C -0.232 177.054 177.300 -0.023 0.000 1.205 187 P CA 0.176 63.254 63.100 -0.038 0.000 0.765 187 P CB 0.846 32.492 31.700 -0.089 0.000 0.828 188 D N 1.698 122.096 120.400 -0.004 0.000 2.340 188 D HA 0.070 4.741 4.640 0.052 0.000 0.220 188 D C 1.384 177.695 176.300 0.019 0.000 1.039 188 D CA 0.500 54.515 54.000 0.025 0.000 0.866 188 D CB -0.410 40.427 40.800 0.061 0.000 0.913 188 D HN 0.607 nan 8.370 nan 0.000 0.523 189 G N -0.058 108.742 108.800 0.001 0.000 2.195 189 G HA2 -0.334 3.657 3.960 0.052 0.000 0.224 189 G HA3 -0.334 3.657 3.960 0.052 0.000 0.224 189 G C 1.222 176.137 174.900 0.024 0.000 0.990 189 G CA 0.577 45.677 45.100 -0.001 0.000 0.639 189 G HN 0.608 nan 8.290 nan 0.000 0.514 190 S N -0.760 114.975 115.700 0.059 0.000 2.461 190 S HA 0.516 5.017 4.470 0.052 0.000 0.228 190 S C 0.920 175.573 174.600 0.089 0.000 1.005 190 S CA 1.061 59.316 58.200 0.091 0.000 0.942 190 S CB 0.184 63.483 63.200 0.164 0.000 0.776 190 S HN 0.523 nan 8.310 nan 0.000 0.514 191 M N 2.082 121.716 119.600 0.055 0.000 2.378 191 M HA 0.298 4.808 4.480 0.052 0.000 0.289 191 M C -0.667 175.632 176.300 -0.003 0.000 1.136 191 M CA -0.512 54.804 55.300 0.028 0.000 0.917 191 M CB 2.637 35.242 32.600 0.010 0.000 1.669 191 M HN 0.248 nan 8.290 nan 0.000 0.461 192 T N -1.115 113.444 114.554 0.009 0.000 2.813 192 T HA 0.200 4.581 4.350 0.052 0.000 0.297 192 T C 0.846 175.569 174.700 0.038 0.000 1.036 192 T CA -0.373 61.748 62.100 0.035 0.000 1.044 192 T CB 0.773 69.671 68.868 0.050 0.000 0.993 192 T HN 0.585 nan 8.240 nan 0.000 0.535 193 F N 1.687 121.623 119.950 -0.023 0.000 2.091 193 F HA -0.068 4.460 4.527 0.002 0.000 0.299 193 F C 2.596 178.352 175.800 -0.073 0.000 1.103 193 F CA 2.089 60.078 58.000 -0.019 0.000 1.228 193 F CB -0.930 38.098 39.000 0.048 0.000 0.984 193 F HN 0.748 nan 8.300 nan 0.000 0.477 194 A N -0.136 122.781 122.820 0.161 0.000 1.940 194 A HA -0.242 4.109 4.320 0.052 0.000 0.219 194 A C 2.073 179.599 177.584 -0.096 0.000 1.176 194 A CA 2.062 54.123 52.037 0.040 0.000 0.631 194 A CB -0.895 18.154 19.000 0.082 0.000 0.814 194 A HN 0.606 nan 8.150 nan 0.000 0.446 195 E N -0.492 119.665 120.200 -0.073 0.000 2.072 195 E HA -0.024 4.357 4.350 0.052 0.000 0.190 195 E C 2.330 178.851 176.600 -0.132 0.000 0.982 195 E CA 0.857 57.217 56.400 -0.066 0.000 0.803 195 E CB -0.260 29.431 29.700 -0.016 0.000 0.755 195 E HN 0.619 nan 8.360 nan 0.000 0.453 196 A N 1.747 124.434 122.820 -0.222 0.000 1.898 196 A HA -0.225 4.126 4.320 0.052 0.000 0.216 196 A C 2.060 179.400 177.584 -0.407 0.000 1.181 196 A CA 1.562 53.421 52.037 -0.296 0.000 0.620 196 A CB -0.374 18.407 19.000 -0.365 0.000 0.819 196 A HN 0.074 nan 8.150 nan 0.000 0.442 197 K N -0.505 119.531 120.400 -0.606 0.000 2.009 197 K HA -0.208 4.143 4.320 0.052 0.000 0.210 197 K C 1.783 178.023 176.600 -0.600 0.000 1.049 197 K CA 1.683 57.508 56.287 -0.770 0.000 0.929 197 K CB -0.169 31.824 32.500 -0.845 0.000 0.714 197 K HN 0.310 nan 8.250 nan 0.000 0.440 198 E N 0.458 120.480 120.200 -0.297 0.000 2.110 198 E HA -0.145 4.236 4.350 0.052 0.000 0.193 198 E C 1.922 178.516 176.600 -0.011 0.000 0.988 198 E CA 1.205 57.557 56.400 -0.079 0.000 0.804 198 E CB -0.363 29.331 29.700 -0.009 0.000 0.745 198 E HN 0.461 nan 8.360 nan 0.000 0.458 199 A N 1.008 123.805 122.820 -0.038 0.000 1.902 199 A HA -0.160 4.191 4.320 0.052 0.000 0.217 199 A C 2.256 179.879 177.584 0.064 0.000 1.181 199 A CA 1.306 53.371 52.037 0.048 0.000 0.623 199 A CB -0.602 18.433 19.000 0.059 0.000 0.818 199 A HN 0.253 nan 8.150 nan 0.000 0.443 200 L N -1.552 119.625 121.223 -0.076 0.000 2.046 200 L HA -0.126 4.245 4.340 0.052 0.000 0.208 200 L C 2.279 179.263 176.870 0.190 0.000 1.077 200 L CA 1.804 56.626 54.840 -0.029 0.000 0.747 200 L CB -0.755 41.204 42.059 -0.168 0.000 0.896 200 L HN 0.465 nan 8.230 nan 0.000 0.432 201 Y N -0.397 119.951 120.300 0.081 0.000 2.274 201 Y HA -0.213 4.371 4.550 0.057 0.000 0.290 201 Y C 2.519 178.477 175.900 0.098 0.000 1.145 201 Y CA 1.127 59.278 58.100 0.085 0.000 1.203 201 Y CB -1.064 37.416 38.460 0.033 0.000 0.984 201 Y HN 0.403 nan 8.280 nan 0.000 0.533 202 D N -1.126 119.430 120.400 0.261 0.000 2.144 202 D HA -0.254 4.417 4.640 0.052 0.000 0.199 202 D C 2.154 178.575 176.300 0.201 0.000 0.984 202 D CA 1.089 55.203 54.000 0.189 0.000 0.834 202 D CB -0.374 40.521 40.800 0.159 0.000 0.955 202 D HN 0.331 nan 8.370 nan 0.000 0.465 203 Y N 0.464 120.846 120.300 0.137 0.000 2.145 203 Y HA -0.082 4.498 4.550 0.051 0.000 0.286 203 Y C 1.925 177.891 175.900 0.110 0.000 1.145 203 Y CA 1.513 59.693 58.100 0.132 0.000 1.148 203 Y CB -0.185 38.370 38.460 0.157 0.000 0.981 203 Y HN 0.017 nan 8.280 nan 0.000 0.507 204 L N -0.649 120.728 121.223 0.258 0.000 2.179 204 L HA -0.152 4.219 4.340 0.052 0.000 0.208 204 L C 2.359 179.251 176.870 0.037 0.000 1.096 204 L CA 0.791 55.724 54.840 0.156 0.000 0.779 204 L CB -0.440 41.777 42.059 0.263 0.000 0.922 204 L HN 0.270 nan 8.230 nan 0.000 0.443 205 I N 0.386 120.985 120.570 0.048 0.000 2.118 205 I HA -0.266 3.935 4.170 0.052 0.000 0.241 205 I C -0.336 175.767 176.117 -0.024 0.000 1.070 205 I CA 1.847 63.151 61.300 0.007 0.000 1.327 205 I CB -1.256 36.753 38.000 0.016 0.000 1.034 205 I HN 0.232 nan 8.210 nan 0.000 0.405 206 P HA -0.085 nan 4.420 nan 0.000 0.221 206 P C 1.762 179.021 177.300 -0.069 0.000 1.150 206 P CA 1.373 64.439 63.100 -0.057 0.000 0.800 206 P CB 0.004 31.661 31.700 -0.073 0.000 0.787 207 I N -1.200 119.312 120.570 -0.098 0.000 2.202 207 I HA -0.190 4.011 4.170 0.052 0.000 0.242 207 I C 2.226 178.318 176.117 -0.043 0.000 1.091 207 I CA 1.294 62.540 61.300 -0.090 0.000 1.368 207 I CB -0.504 37.416 38.000 -0.132 0.000 1.058 207 I HN -0.143 nan 8.210 nan 0.000 0.410 208 I N 0.632 121.187 120.570 -0.025 0.000 2.226 208 I HA -0.299 3.902 4.170 0.052 0.000 0.245 208 I C 2.622 178.729 176.117 -0.017 0.000 1.100 208 I CA 1.459 62.753 61.300 -0.011 0.000 1.374 208 I CB -0.357 37.640 38.000 -0.004 0.000 1.057 208 I HN 0.287 nan 8.210 nan 0.000 0.413 209 E N 0.809 120.996 120.200 -0.022 0.000 2.038 209 E HA -0.332 4.049 4.350 0.052 0.000 0.195 209 E C 2.231 178.819 176.600 -0.020 0.000 1.000 209 E CA 1.589 57.977 56.400 -0.020 0.000 0.803 209 E CB -0.088 29.599 29.700 -0.021 0.000 0.750 209 E HN 0.438 nan 8.360 nan 0.000 0.448 210 Q N 0.179 119.964 119.800 -0.026 0.000 2.112 210 Q HA -0.208 4.163 4.340 0.052 0.000 0.206 210 Q C 2.032 178.019 176.000 -0.021 0.000 0.987 210 Q CA 1.757 57.544 55.803 -0.026 0.000 0.858 210 Q CB 0.047 28.764 28.738 -0.034 0.000 0.905 210 Q HN 0.155 nan 8.270 nan 0.000 0.420 211 R N -0.900 119.588 120.500 -0.020 0.000 2.276 211 R HA 0.082 4.453 4.340 0.052 0.000 0.196 211 R C 2.122 178.414 176.300 -0.012 0.000 0.961 211 R CA 0.372 56.463 56.100 -0.016 0.000 1.024 211 R CB 0.212 30.503 30.300 -0.016 0.000 0.940 211 R HN 0.164 nan 8.270 nan 0.000 0.480 212 R N -0.096 120.397 120.500 -0.011 0.000 2.127 212 R HA 0.001 4.372 4.340 0.052 0.000 0.217 212 R C 1.989 178.283 176.300 -0.009 0.000 1.074 212 R CA 0.712 56.807 56.100 -0.008 0.000 0.991 212 R CB 0.152 30.448 30.300 -0.007 0.000 0.895 212 R HN 0.098 nan 8.270 nan 0.000 0.450 213 Q N 0.719 120.512 119.800 -0.011 0.000 2.083 213 Q HA -0.010 4.361 4.340 0.052 0.000 0.198 213 Q C 0.302 176.295 176.000 -0.011 0.000 0.969 213 Q CA 1.371 57.167 55.803 -0.011 0.000 0.838 213 Q CB 0.297 29.027 28.738 -0.012 0.000 0.900 213 Q HN 0.132 nan 8.270 nan 0.000 0.436 214 K N 0.982 121.374 120.400 -0.013 0.000 2.753 214 K HA 0.332 4.683 4.320 0.052 0.000 0.185 214 K C -2.579 174.012 176.600 -0.014 0.000 1.071 214 K CA -1.505 54.774 56.287 -0.013 0.000 0.999 214 K CB 1.709 34.201 32.500 -0.014 0.000 1.244 214 K HN -0.036 nan 8.250 nan 0.000 0.594 215 P HA 0.010 nan 4.420 nan 0.000 0.268 215 P C 0.152 177.442 177.300 -0.016 0.000 1.204 215 P CA 0.009 63.101 63.100 -0.014 0.000 0.768 215 P CB 1.091 32.784 31.700 -0.012 0.000 0.842 216 G N 0.613 109.402 108.800 -0.018 0.000 2.971 216 G HA2 0.429 4.420 3.960 0.052 0.000 0.235 216 G HA3 0.429 4.420 3.960 0.052 0.000 0.235 216 G C 0.550 175.436 174.900 -0.023 0.000 1.351 216 G CA -0.231 44.856 45.100 -0.021 0.000 1.039 216 G HN 0.421 nan 8.290 nan 0.000 0.563 217 T N -1.482 113.056 114.554 -0.027 0.000 3.086 217 T HA 0.144 4.525 4.350 0.052 0.000 0.250 217 T C 0.622 175.297 174.700 -0.041 0.000 1.074 217 T CA 0.482 62.563 62.100 -0.030 0.000 0.988 217 T CB -0.330 68.521 68.868 -0.029 0.000 0.988 217 T HN 0.593 nan 8.240 nan 0.000 0.530 218 D N 1.117 121.490 120.400 -0.046 0.000 2.398 218 D HA 0.322 4.993 4.640 0.052 0.000 0.247 218 D C 1.472 177.731 176.300 -0.068 0.000 1.227 218 D CA -0.080 53.880 54.000 -0.067 0.000 0.980 218 D CB 1.330 42.089 40.800 -0.068 0.000 1.106 218 D HN 0.111 nan 8.370 nan 0.000 0.493 219 A N 0.838 123.596 122.820 -0.103 0.000 1.902 219 A HA -0.147 4.204 4.320 0.052 0.000 0.217 219 A C 2.395 179.954 177.584 -0.042 0.000 1.181 219 A CA 1.129 53.114 52.037 -0.086 0.000 0.623 219 A CB -0.781 18.126 19.000 -0.154 0.000 0.818 219 A HN 0.661 nan 8.150 nan 0.000 0.443 220 I N -0.423 120.124 120.570 -0.039 0.000 2.226 220 I HA -0.217 3.984 4.170 0.052 0.000 0.245 220 I C 2.689 178.805 176.117 -0.001 0.000 1.100 220 I CA 1.389 62.689 61.300 -0.001 0.000 1.374 220 I CB -0.405 37.603 38.000 0.013 0.000 1.057 220 I HN 0.232 nan 8.210 nan 0.000 0.413 221 S N 1.089 116.781 115.700 -0.014 0.000 2.359 221 S HA -0.155 4.346 4.470 0.052 0.000 0.224 221 S C 2.013 176.608 174.600 -0.008 0.000 1.035 221 S CA 1.423 59.616 58.200 -0.012 0.000 1.018 221 S CB -0.357 62.832 63.200 -0.019 0.000 0.876 221 S HN 0.314 nan 8.310 nan 0.000 0.448 222 I N 1.073 121.636 120.570 -0.012 0.000 2.127 222 I HA -0.177 4.024 4.170 0.052 0.000 0.241 222 I C 2.218 178.339 176.117 0.007 0.000 1.075 222 I CA 1.025 62.321 61.300 -0.007 0.000 1.334 222 I CB -0.578 37.414 38.000 -0.014 0.000 1.040 222 I HN 0.146 nan 8.210 nan 0.000 0.405 223 V N 1.004 120.928 119.914 0.016 0.000 2.295 223 V HA -0.282 3.869 4.120 0.052 0.000 0.246 223 V C 2.708 178.824 176.094 0.037 0.000 1.049 223 V CA 2.013 64.335 62.300 0.037 0.000 1.024 223 V CB -1.048 30.806 31.823 0.051 0.000 0.648 223 V HN 0.511 nan 8.190 nan 0.000 0.447 224 A N 0.257 123.092 122.820 0.025 0.000 1.972 224 A HA -0.214 4.137 4.320 0.052 0.000 0.219 224 A C 1.771 179.364 177.584 0.016 0.000 1.169 224 A CA 2.209 54.258 52.037 0.020 0.000 0.635 224 A CB -0.640 18.366 19.000 0.010 0.000 0.810 224 A HN 0.695 nan 8.150 nan 0.000 0.446 225 N N -0.844 117.862 118.700 0.010 0.000 2.214 225 N HA 0.313 5.084 4.740 0.052 0.000 0.214 225 N C 0.635 176.148 175.510 0.005 0.000 1.132 225 N CA 0.301 53.354 53.050 0.005 0.000 0.856 225 N CB 0.680 39.166 38.487 -0.002 0.000 1.020 225 N HN 0.426 nan 8.380 nan 0.000 0.509 226 G N -0.163 108.644 108.800 0.013 0.000 2.557 226 G HA2 0.410 4.401 3.960 0.052 0.000 0.292 226 G HA3 0.410 4.401 3.960 0.052 0.000 0.292 226 G C -0.534 174.368 174.900 0.003 0.000 1.237 226 G CA -0.328 44.777 45.100 0.008 0.000 0.978 226 G HN 0.083 nan 8.290 nan 0.000 0.498 227 Q N -1.512 118.279 119.800 -0.014 0.000 2.377 227 Q HA 0.589 4.960 4.340 0.052 0.000 0.271 227 Q C -1.414 174.544 176.000 -0.069 0.000 1.077 227 Q CA -0.792 54.990 55.803 -0.034 0.000 0.820 227 Q CB 3.166 31.883 28.738 -0.036 0.000 1.347 227 Q HN 0.263 nan 8.270 nan 0.000 0.444 228 V N 2.624 122.468 119.914 -0.117 0.000 2.482 228 V HA 0.215 4.366 4.120 0.052 0.000 0.295 228 V C 0.057 176.025 176.094 -0.210 0.000 1.026 228 V CA -0.458 61.705 62.300 -0.229 0.000 0.856 228 V CB 1.412 32.986 31.823 -0.415 0.000 1.001 228 V HN 0.931 nan 8.190 nan 0.000 0.424 229 N N 4.070 122.660 118.700 -0.183 0.000 2.710 229 N HA -0.240 4.531 4.740 0.052 0.000 0.249 229 N C 1.084 176.538 175.510 -0.094 0.000 1.059 229 N CA 0.834 53.804 53.050 -0.133 0.000 0.720 229 N CB -0.427 37.971 38.487 -0.148 0.000 0.983 229 N HN 1.433 nan 8.380 nan 0.000 0.544 230 G N -0.531 108.221 108.800 -0.080 0.000 2.148 230 G HA2 -0.343 3.648 3.960 0.052 0.000 0.254 230 G HA3 -0.343 3.648 3.960 0.052 0.000 0.254 230 G C 0.055 174.926 174.900 -0.049 0.000 0.981 230 G CA 1.029 46.095 45.100 -0.056 0.000 0.670 230 G HN 0.792 nan 8.290 nan 0.000 0.528 231 R N -1.061 119.404 120.500 -0.059 0.000 2.888 231 R HA 0.818 5.189 4.340 0.052 0.000 0.266 231 R C -3.269 173.010 176.300 -0.036 0.000 1.020 231 R CA -2.595 53.480 56.100 -0.042 0.000 0.963 231 R CB 0.272 30.549 30.300 -0.038 0.000 1.197 231 R HN 0.055 nan 8.270 nan 0.000 0.481 232 P HA 0.128 nan 4.420 nan 0.000 0.271 232 P C -0.329 176.978 177.300 0.010 0.000 1.216 232 P CA -0.342 62.755 63.100 -0.005 0.000 0.771 232 P CB 0.533 32.233 31.700 -0.001 0.000 0.864 233 I N 2.439 123.025 120.570 0.026 0.000 2.754 233 I HA 0.052 4.253 4.170 0.052 0.000 0.285 233 I C 0.785 176.937 176.117 0.059 0.000 1.166 233 I CA 0.167 61.511 61.300 0.073 0.000 1.417 233 I CB 0.722 38.784 38.000 0.103 0.000 1.382 233 I HN 0.415 nan 8.210 nan 0.000 0.588 234 T N 2.354 116.952 114.554 0.074 0.000 2.882 234 T HA 0.157 4.538 4.350 0.052 0.000 0.287 234 T C 1.104 175.817 174.700 0.022 0.000 1.014 234 T CA -0.475 61.649 62.100 0.040 0.000 1.049 234 T CB 1.553 70.442 68.868 0.036 0.000 1.001 234 T HN 0.668 nan 8.240 nan 0.000 0.525 235 S N 0.833 116.534 115.700 0.002 0.000 2.374 235 S HA -0.169 4.332 4.470 0.052 0.000 0.227 235 S C 1.643 176.218 174.600 -0.040 0.000 1.037 235 S CA 1.865 60.056 58.200 -0.015 0.000 1.024 235 S CB -0.633 62.554 63.200 -0.021 0.000 0.861 235 S HN 0.952 nan 8.310 nan 0.000 0.456 236 D N 0.456 120.826 120.400 -0.050 0.000 2.123 236 D HA -0.053 4.618 4.640 0.052 0.000 0.200 236 D C 2.013 178.250 176.300 -0.105 0.000 0.976 236 D CA 1.014 54.954 54.000 -0.100 0.000 0.831 236 D CB -0.054 40.694 40.800 -0.087 0.000 0.974 236 D HN 0.436 nan 8.370 nan 0.000 0.469 237 E N -0.123 120.051 120.200 -0.043 0.000 2.077 237 E HA -0.149 4.232 4.350 0.052 0.000 0.193 237 E C 2.091 178.676 176.600 -0.025 0.000 0.989 237 E CA 0.961 57.336 56.400 -0.043 0.000 0.800 237 E CB -0.129 29.624 29.700 0.089 0.000 0.746 237 E HN 0.308 nan 8.360 nan 0.000 0.452 238 A N 1.652 124.479 122.820 0.012 0.000 1.908 238 A HA -0.257 4.094 4.320 0.052 0.000 0.218 238 A C 2.061 179.648 177.584 0.005 0.000 1.181 238 A CA 1.641 53.694 52.037 0.026 0.000 0.627 238 A CB -0.401 18.615 19.000 0.027 0.000 0.818 238 A HN 0.066 nan 8.150 nan 0.000 0.445 239 K N -0.428 119.941 120.400 -0.052 0.000 2.026 239 K HA -0.159 4.192 4.320 0.052 0.000 0.208 239 K C 2.249 178.820 176.600 -0.047 0.000 1.048 239 K CA 1.550 57.781 56.287 -0.093 0.000 0.929 239 K CB -0.177 32.164 32.500 -0.266 0.000 0.713 239 K HN 0.441 nan 8.250 nan 0.000 0.439 240 R N 0.032 120.474 120.500 -0.096 0.000 2.148 240 R HA -0.069 4.302 4.340 0.052 0.000 0.227 240 R C 2.343 178.754 176.300 0.185 0.000 1.103 240 R CA 1.504 57.663 56.100 0.100 0.000 0.983 240 R CB -0.154 30.132 30.300 -0.023 0.000 0.874 240 R HN 0.331 nan 8.270 nan 0.000 0.451 241 M N -0.445 119.188 119.600 0.055 0.000 2.193 241 M HA -0.117 4.394 4.480 0.052 0.000 0.265 241 M C 1.863 178.186 176.300 0.037 0.000 1.071 241 M CA 1.497 56.819 55.300 0.037 0.000 1.140 241 M CB 0.048 32.675 32.600 0.045 0.000 1.369 241 M HN 0.181 nan 8.290 nan 0.000 0.423 242 C N 0.757 120.102 119.300 0.075 0.000 2.440 242 C HA -0.004 4.487 4.460 0.052 0.000 0.278 242 C C 2.764 177.799 174.990 0.074 0.000 1.295 242 C CA 0.944 60.021 59.018 0.098 0.000 1.738 242 C CB -1.802 26.010 27.740 0.119 0.000 1.987 242 C HN 0.824 nan 8.230 nan 0.000 0.492 243 G N 0.431 109.300 108.800 0.114 0.000 2.446 243 G HA2 -0.229 3.762 3.960 0.052 0.000 0.217 243 G HA3 -0.229 3.762 3.960 0.052 0.000 0.217 243 G C 1.507 176.018 174.900 -0.648 0.000 1.168 243 G CA 1.046 46.156 45.100 0.018 0.000 0.771 243 G HN 0.450 nan 8.290 nan 0.000 0.551 244 L N 0.553 121.255 121.223 -0.868 0.000 2.046 244 L HA 0.079 4.450 4.340 0.052 0.000 0.208 244 L C 2.735 179.348 176.870 -0.429 0.000 1.077 244 L CA 1.357 55.639 54.840 -0.930 0.000 0.747 244 L CB -0.508 41.260 42.059 -0.484 0.000 0.896 244 L HN 0.229 nan 8.230 nan 0.000 0.432 245 L N -1.536 119.567 121.223 -0.201 0.000 2.046 245 L HA -0.238 4.133 4.340 0.052 0.000 0.208 245 L C 2.509 179.190 176.870 -0.315 0.000 1.077 245 L CA 0.683 55.483 54.840 -0.067 0.000 0.747 245 L CB -0.672 41.500 42.059 0.189 0.000 0.896 245 L HN 0.297 nan 8.230 nan 0.000 0.432 246 L N -0.465 120.601 121.223 -0.262 0.000 2.012 246 L HA -0.219 4.152 4.340 0.052 0.000 0.210 246 L C 2.621 179.181 176.870 -0.516 0.000 1.073 246 L CA 1.686 56.246 54.840 -0.467 0.000 0.748 246 L CB -0.948 41.016 42.059 -0.159 0.000 0.891 246 L HN 0.131 nan 8.230 nan 0.000 0.431 247 V N 0.015 119.695 119.914 -0.389 0.000 2.287 247 V HA -0.226 3.925 4.120 0.052 0.000 0.248 247 V C 2.687 178.640 176.094 -0.235 0.000 1.053 247 V CA 1.854 63.994 62.300 -0.266 0.000 1.027 247 V CB -1.282 30.417 31.823 -0.208 0.000 0.646 247 V HN 0.567 nan 8.190 nan 0.000 0.447 248 G N 0.072 108.719 108.800 -0.255 0.000 2.446 248 G HA2 -0.191 3.800 3.960 0.052 0.000 0.217 248 G HA3 -0.191 3.800 3.960 0.052 0.000 0.217 248 G C 1.609 176.352 174.900 -0.260 0.000 1.168 248 G CA 0.988 45.980 45.100 -0.180 0.000 0.771 248 G HN 0.604 nan 8.290 nan 0.000 0.551 249 G N -0.060 108.393 108.800 -0.578 0.000 2.448 249 G HA2 0.064 4.055 3.960 0.052 0.000 0.218 249 G HA3 0.064 4.055 3.960 0.052 0.000 0.218 249 G C 1.500 176.171 174.900 -0.382 0.000 1.135 249 G CA 0.565 45.292 45.100 -0.621 0.000 0.784 249 G HN 0.351 nan 8.290 nan 0.000 0.543 250 L N -0.684 120.317 121.223 -0.371 0.000 2.556 250 L HA 0.376 4.747 4.340 0.052 0.000 0.226 250 L C 0.797 177.603 176.870 -0.106 0.000 1.089 250 L CA 0.745 55.462 54.840 -0.205 0.000 0.864 250 L CB 0.754 42.687 42.059 -0.211 0.000 1.067 250 L HN 0.068 nan 8.230 nan 0.000 0.477 251 D N -2.414 117.935 120.400 -0.085 0.000 2.712 251 D HA 0.092 4.763 4.640 0.052 0.000 0.300 251 D C 1.126 177.450 176.300 0.039 0.000 1.521 251 D CA 0.839 54.832 54.000 -0.011 0.000 0.790 251 D CB 0.548 41.345 40.800 -0.005 0.000 1.155 251 D HN 0.217 nan 8.370 nan 0.000 0.456 252 T N -4.150 110.432 114.554 0.047 0.000 3.478 252 T HA 0.083 4.464 4.350 0.052 0.000 0.223 252 T C 1.790 176.594 174.700 0.173 0.000 0.958 252 T CA 0.450 62.610 62.100 0.100 0.000 1.324 252 T CB -0.518 68.397 68.868 0.080 0.000 1.262 252 T HN -0.157 nan 8.240 nan 0.000 0.379 253 V N 2.352 122.366 119.914 0.167 0.000 2.490 253 V HA -0.115 4.036 4.120 0.052 0.000 0.250 253 V C 2.930 179.181 176.094 0.261 0.000 1.061 253 V CA 1.337 63.792 62.300 0.259 0.000 1.064 253 V CB -0.885 31.065 31.823 0.211 0.000 0.670 253 V HN 0.418 nan 8.190 nan 0.000 0.461 254 V N 1.051 121.058 119.914 0.155 0.000 2.278 254 V HA -0.334 3.817 4.120 0.052 0.000 0.251 254 V C 2.314 178.487 176.094 0.133 0.000 1.062 254 V CA 2.540 64.908 62.300 0.114 0.000 1.038 254 V CB -0.777 31.072 31.823 0.043 0.000 0.646 254 V HN 0.643 nan 8.190 nan 0.000 0.447 255 N N -0.772 118.024 118.700 0.159 0.000 2.135 255 N HA -0.114 4.657 4.740 0.052 0.000 0.186 255 N C 1.824 177.488 175.510 0.257 0.000 1.027 255 N CA 1.515 54.659 53.050 0.156 0.000 0.849 255 N CB -0.467 38.154 38.487 0.222 0.000 1.002 255 N HN 0.513 nan 8.380 nan 0.000 0.425 256 F N 2.492 122.602 119.950 0.267 0.000 2.120 256 F HA -0.146 4.411 4.527 0.050 0.000 0.300 256 F C 2.210 178.156 175.800 0.243 0.000 1.095 256 F CA 1.168 59.353 58.000 0.310 0.000 1.249 256 F CB -0.257 38.852 39.000 0.180 0.000 0.995 256 F HN -0.070 nan 8.300 nan 0.000 0.480 257 L N -0.745 120.590 121.223 0.186 0.000 2.042 257 L HA -0.290 4.081 4.340 0.052 0.000 0.210 257 L C 2.527 179.413 176.870 0.027 0.000 1.076 257 L CA 1.621 56.550 54.840 0.148 0.000 0.749 257 L CB -0.943 41.362 42.059 0.410 0.000 0.893 257 L HN 0.101 nan 8.230 nan 0.000 0.432 258 S N -0.670 115.067 115.700 0.062 0.000 2.383 258 S HA -0.101 4.400 4.470 0.052 0.000 0.227 258 S C 1.742 176.154 174.600 -0.315 0.000 1.026 258 S CA 1.096 59.260 58.200 -0.059 0.000 0.981 258 S CB -0.276 62.879 63.200 -0.075 0.000 0.818 258 S HN 0.219 nan 8.310 nan 0.000 0.472 259 F N 2.096 121.868 119.950 -0.295 0.000 2.134 259 F HA -0.086 4.471 4.527 0.049 0.000 0.299 259 F C 2.767 178.057 175.800 -0.849 0.000 1.097 259 F CA 0.962 58.671 58.000 -0.485 0.000 1.264 259 F CB -0.883 37.860 39.000 -0.429 0.000 1.001 259 F HN 0.093 nan 8.300 nan 0.000 0.479 260 S N -0.319 114.994 115.700 -0.646 0.000 2.356 260 S HA -0.182 4.319 4.470 0.052 0.000 0.223 260 S C 2.104 176.488 174.600 -0.361 0.000 1.032 260 S CA 1.230 59.094 58.200 -0.561 0.000 1.005 260 S CB -0.251 62.659 63.200 -0.483 0.000 0.867 260 S HN 0.193 nan 8.310 nan 0.000 0.449 261 M N 1.159 120.483 119.600 -0.461 0.000 2.254 261 M HA 0.007 4.518 4.480 0.052 0.000 0.265 261 M C 2.195 178.281 176.300 -0.356 0.000 1.066 261 M CA 1.052 56.006 55.300 -0.577 0.000 1.123 261 M CB -1.170 30.634 32.600 -1.325 0.000 1.388 261 M HN 0.442 nan 8.290 nan 0.000 0.425 262 E N -0.015 119.998 120.200 -0.311 0.000 2.051 262 E HA -0.243 4.138 4.350 0.052 0.000 0.192 262 E C 2.010 178.533 176.600 -0.128 0.000 0.991 262 E CA 1.293 57.589 56.400 -0.173 0.000 0.799 262 E CB -0.218 29.416 29.700 -0.110 0.000 0.748 262 E HN 0.398 nan 8.360 nan 0.000 0.449 263 F N 1.253 121.002 119.950 -0.336 0.000 2.102 263 F HA -0.182 4.375 4.527 0.051 0.000 0.298 263 F C 2.035 177.750 175.800 -0.141 0.000 1.105 263 F CA 1.420 59.275 58.000 -0.242 0.000 1.239 263 F CB -0.141 38.638 39.000 -0.367 0.000 0.991 263 F HN -0.003 nan 8.300 nan 0.000 0.474 264 L N 0.088 121.199 121.223 -0.187 0.000 2.046 264 L HA -0.220 4.151 4.340 0.052 0.000 0.208 264 L C 2.832 179.434 176.870 -0.445 0.000 1.077 264 L CA 1.166 55.858 54.840 -0.247 0.000 0.747 264 L CB -1.220 40.859 42.059 0.032 0.000 0.896 264 L HN 0.282 nan 8.230 nan 0.000 0.432 265 A N -0.078 122.560 122.820 -0.304 0.000 1.972 265 A HA -0.207 4.144 4.320 0.052 0.000 0.219 265 A C 2.235 179.640 177.584 -0.298 0.000 1.169 265 A CA 1.599 53.430 52.037 -0.343 0.000 0.635 265 A CB -0.287 18.715 19.000 0.005 0.000 0.810 265 A HN 0.347 nan 8.150 nan 0.000 0.446 266 K N -0.874 119.352 120.400 -0.291 0.000 2.426 266 K HA 0.114 4.465 4.320 0.052 0.000 0.193 266 K C 0.298 176.712 176.600 -0.310 0.000 1.028 266 K CA 0.508 56.653 56.287 -0.238 0.000 1.047 266 K CB 0.246 32.646 32.500 -0.166 0.000 0.821 266 K HN 0.248 nan 8.250 nan 0.000 0.513 267 S N 1.131 116.556 115.700 -0.459 0.000 2.130 267 S HA 0.256 4.757 4.470 0.052 0.000 0.165 267 S C -2.292 172.156 174.600 -0.252 0.000 1.677 267 S CA -1.774 56.175 58.200 -0.420 0.000 1.227 267 S CB 0.603 63.267 63.200 -0.894 0.000 1.115 267 S HN -0.104 nan 8.310 nan 0.000 0.452 268 P HA -0.154 nan 4.420 nan 0.000 0.216 268 P C 0.947 178.201 177.300 -0.076 0.000 1.153 268 P CA 1.324 64.338 63.100 -0.144 0.000 0.858 268 P CB 0.174 31.808 31.700 -0.109 0.000 0.789 269 E N -1.578 118.589 120.200 -0.055 0.000 2.077 269 E HA -0.213 4.168 4.350 0.052 0.000 0.193 269 E C 1.902 178.454 176.600 -0.081 0.000 0.989 269 E CA 1.434 57.792 56.400 -0.070 0.000 0.800 269 E CB -1.355 28.286 29.700 -0.098 0.000 0.746 269 E HN 0.476 nan 8.360 nan 0.000 0.452 270 H N 0.129 119.173 119.070 -0.044 0.000 2.395 270 H HA 0.146 4.734 4.556 0.052 0.000 0.299 270 H C 1.947 177.412 175.328 0.228 0.000 1.070 270 H CA 1.323 57.422 56.048 0.084 0.000 1.356 270 H CB 0.106 29.914 29.762 0.078 0.000 1.401 270 H HN 0.000 nan 8.280 nan 0.000 0.524 271 R N 0.154 120.759 120.500 0.176 0.000 2.083 271 R HA -0.189 4.182 4.340 0.052 0.000 0.237 271 R C 2.211 178.573 176.300 0.105 0.000 1.137 271 R CA 1.524 57.690 56.100 0.111 0.000 0.951 271 R CB -0.175 30.088 30.300 -0.061 0.000 0.851 271 R HN 0.257 nan 8.270 nan 0.000 0.434 272 Q N 0.971 120.804 119.800 0.054 0.000 2.124 272 Q HA -0.196 4.175 4.340 0.052 0.000 0.202 272 Q C 1.761 177.800 176.000 0.066 0.000 0.977 272 Q CA 1.768 57.594 55.803 0.039 0.000 0.850 272 Q CB -0.085 28.657 28.738 0.006 0.000 0.901 272 Q HN 0.365 nan 8.270 nan 0.000 0.429 273 E N -0.674 119.586 120.200 0.100 0.000 2.085 273 E HA -0.185 4.196 4.350 0.052 0.000 0.194 273 E C 1.627 178.315 176.600 0.146 0.000 0.994 273 E CA 1.208 57.687 56.400 0.133 0.000 0.801 273 E CB -0.129 29.690 29.700 0.199 0.000 0.743 273 E HN 0.435 nan 8.360 nan 0.000 0.453 274 L N 0.285 121.610 121.223 0.170 0.000 2.240 274 L HA -0.044 4.327 4.340 0.052 0.000 0.211 274 L C 2.318 179.231 176.870 0.070 0.000 1.106 274 L CA 0.310 55.208 54.840 0.097 0.000 0.793 274 L CB -0.142 41.963 42.059 0.077 0.000 0.927 274 L HN 0.223 nan 8.230 nan 0.000 0.446 275 I N -0.207 120.407 120.570 0.074 0.000 2.286 275 I HA -0.208 3.993 4.170 0.052 0.000 0.245 275 I C 2.331 178.472 176.117 0.041 0.000 1.104 275 I CA 1.198 62.530 61.300 0.053 0.000 1.397 275 I CB -0.109 37.920 38.000 0.048 0.000 1.072 275 I HN 0.193 nan 8.210 nan 0.000 0.417 276 E N 0.709 120.934 120.200 0.043 0.000 2.107 276 E HA -0.052 4.329 4.350 0.052 0.000 0.191 276 E C 0.680 177.301 176.600 0.035 0.000 0.982 276 E CA 0.741 57.162 56.400 0.034 0.000 0.809 276 E CB 0.148 29.867 29.700 0.032 0.000 0.756 276 E HN 0.376 nan 8.360 nan 0.000 0.459 277 R N 0.730 121.256 120.500 0.044 0.000 2.681 277 R HA 0.143 4.514 4.340 0.052 0.000 0.277 277 R C -2.150 174.171 176.300 0.034 0.000 1.563 277 R CA -1.147 54.977 56.100 0.040 0.000 1.673 277 R CB 0.985 31.314 30.300 0.048 0.000 1.258 277 R HN 0.034 nan 8.270 nan 0.000 0.650 278 P HA -0.236 nan 4.420 nan 0.000 0.221 278 P C 0.935 178.243 177.300 0.013 0.000 1.145 278 P CA 1.236 64.348 63.100 0.020 0.000 0.795 278 P CB 0.339 32.052 31.700 0.022 0.000 0.775 279 E N 0.883 121.094 120.200 0.018 0.000 2.472 279 E HA -0.156 4.224 4.350 0.052 0.000 0.200 279 E C 1.525 178.133 176.600 0.012 0.000 1.046 279 E CA 0.678 57.089 56.400 0.017 0.000 0.871 279 E CB -0.607 29.106 29.700 0.022 0.000 0.806 279 E HN 0.298 nan 8.360 nan 0.000 0.533 280 R N 0.144 120.647 120.500 0.005 0.000 2.297 280 R HA 0.254 4.625 4.340 0.052 0.000 0.197 280 R C 2.256 178.510 176.300 -0.076 0.000 0.943 280 R CA 0.131 56.225 56.100 -0.010 0.000 1.038 280 R CB -0.127 30.184 30.300 0.018 0.000 0.957 280 R HN 0.193 nan 8.270 nan 0.000 0.484 281 I N 1.495 122.025 120.570 -0.066 0.000 2.163 281 I HA -0.215 3.985 4.170 0.052 0.000 0.243 281 I C -0.841 175.236 176.117 -0.067 0.000 1.085 281 I CA 1.438 62.683 61.300 -0.093 0.000 1.347 281 I CB -0.862 37.117 38.000 -0.034 0.000 1.044 281 I HN 0.052 nan 8.210 nan 0.000 0.408 282 P HA -0.181 nan 4.420 nan 0.000 0.215 282 P C 1.487 178.792 177.300 0.008 0.000 1.157 282 P CA 1.860 64.967 63.100 0.011 0.000 0.868 282 P CB -0.043 31.673 31.700 0.027 0.000 0.788 283 A N 0.008 122.828 122.820 0.000 0.000 1.902 283 A HA -0.134 4.217 4.320 0.052 0.000 0.217 283 A C 2.335 179.920 177.584 0.001 0.000 1.181 283 A CA 2.158 54.209 52.037 0.024 0.000 0.623 283 A CB -1.639 17.390 19.000 0.049 0.000 0.818 283 A HN 0.193 nan 8.150 nan 0.000 0.443 284 A N -0.931 121.790 122.820 -0.164 0.000 1.902 284 A HA -0.228 4.123 4.320 0.052 0.000 0.217 284 A C 2.417 179.936 177.584 -0.108 0.000 1.181 284 A CA 1.756 53.534 52.037 -0.432 0.000 0.623 284 A CB -1.509 16.829 19.000 -1.104 0.000 0.818 284 A HN 0.904 nan 8.150 nan 0.000 0.443 285 C N -0.632 118.647 119.300 -0.036 0.000 2.393 285 C HA -0.164 4.327 4.460 0.052 0.000 0.276 285 C C 2.591 177.633 174.990 0.087 0.000 1.215 285 C CA 1.986 61.054 59.018 0.083 0.000 1.743 285 C CB -1.110 26.682 27.740 0.086 0.000 2.044 285 C HN 0.686 nan 8.230 nan 0.000 0.464 286 E N 0.627 120.861 120.200 0.057 0.000 2.058 286 E HA -0.208 4.173 4.350 0.052 0.000 0.194 286 E C 2.049 178.656 176.600 0.011 0.000 0.997 286 E CA 2.017 58.438 56.400 0.036 0.000 0.801 286 E CB -0.442 29.312 29.700 0.089 0.000 0.746 286 E HN 0.789 nan 8.360 nan 0.000 0.450 287 E N -0.053 120.201 120.200 0.091 0.000 2.110 287 E HA -0.140 4.241 4.350 0.052 0.000 0.193 287 E C 1.953 178.594 176.600 0.068 0.000 0.988 287 E CA 1.209 57.672 56.400 0.106 0.000 0.804 287 E CB -0.315 29.538 29.700 0.254 0.000 0.745 287 E HN 0.347 nan 8.360 nan 0.000 0.458 288 L N -0.092 121.238 121.223 0.179 0.000 2.056 288 L HA -0.125 4.246 4.340 0.052 0.000 0.207 288 L C 2.552 179.642 176.870 0.367 0.000 1.078 288 L CA 0.845 55.867 54.840 0.304 0.000 0.749 288 L CB -0.461 41.846 42.059 0.413 0.000 0.901 288 L HN 0.200 nan 8.230 nan 0.000 0.433 289 L N -0.407 120.910 121.223 0.156 0.000 2.079 289 L HA -0.252 4.119 4.340 0.052 0.000 0.210 289 L C 2.892 179.520 176.870 -0.402 0.000 1.081 289 L CA 1.264 55.917 54.840 -0.311 0.000 0.752 289 L CB -0.496 41.186 42.059 -0.629 0.000 0.896 289 L HN 0.286 nan 8.230 nan 0.000 0.433 290 R N 0.240 120.525 120.500 -0.359 0.000 2.061 290 R HA -0.202 4.169 4.340 0.052 0.000 0.230 290 R C 2.494 178.625 176.300 -0.283 0.000 1.140 290 R CA 1.614 57.536 56.100 -0.296 0.000 0.940 290 R CB -0.133 30.078 30.300 -0.149 0.000 0.839 290 R HN 0.075 nan 8.270 nan 0.000 0.429 291 R N -0.061 120.230 120.500 -0.348 0.000 2.092 291 R HA -0.070 4.301 4.340 0.052 0.000 0.231 291 R C 0.824 176.593 176.300 -0.885 0.000 1.119 291 R CA 1.614 57.310 56.100 -0.673 0.000 0.970 291 R CB -0.227 29.488 30.300 -0.974 0.000 0.864 291 R HN 0.274 nan 8.270 nan 0.000 0.440 292 F N 0.182 120.026 119.950 -0.177 0.000 2.772 292 F HA 0.396 4.953 4.527 0.050 0.000 0.302 292 F C 0.479 176.151 175.800 -0.214 0.000 1.136 292 F CA -0.536 57.310 58.000 -0.257 0.000 1.322 292 F CB 0.244 39.102 39.000 -0.236 0.000 0.967 292 F HN -0.134 nan 8.300 nan 0.000 0.513 293 S N 1.835 117.434 115.700 -0.169 0.000 2.561 293 S HA 0.095 4.596 4.470 0.052 0.000 0.294 293 S C 0.872 175.272 174.600 -0.334 0.000 1.294 293 S CA 0.204 58.248 58.200 -0.259 0.000 1.055 293 S CB 0.392 63.413 63.200 -0.299 0.000 0.819 293 S HN 0.567 nan 8.310 nan 0.000 0.503 294 L N 2.412 123.457 121.223 -0.297 0.000 3.515 294 L HA 0.569 4.940 4.340 0.052 0.000 0.322 294 L C -0.856 175.853 176.870 -0.269 0.000 1.225 294 L CA -0.551 54.107 54.840 -0.304 0.000 1.104 294 L CB 0.289 42.276 42.059 -0.119 0.000 1.506 294 L HN 0.343 nan 8.230 nan 0.000 0.624 295 V N 1.895 121.643 119.914 -0.276 0.000 2.532 295 V HA 0.854 5.005 4.120 0.052 0.000 0.295 295 V C 0.231 176.139 176.094 -0.311 0.000 1.041 295 V CA 0.013 62.174 62.300 -0.232 0.000 0.926 295 V CB 1.481 33.219 31.823 -0.141 0.000 0.992 295 V HN 0.338 nan 8.190 nan 0.000 0.457 296 A N 3.497 126.145 122.820 -0.288 0.000 2.599 296 A HA 0.708 5.059 4.320 0.052 0.000 0.281 296 A C -0.751 176.732 177.584 -0.169 0.000 1.137 296 A CA -0.616 51.277 52.037 -0.240 0.000 0.767 296 A CB 0.757 19.528 19.000 -0.382 0.000 1.266 296 A HN 0.855 nan 8.150 nan 0.000 0.420 297 D N 1.502 121.854 120.400 -0.080 0.000 2.726 297 D HA 0.869 5.540 4.640 0.052 0.000 0.241 297 D C 0.484 176.815 176.300 0.052 0.000 1.150 297 D CA 0.040 53.994 54.000 -0.076 0.000 1.089 297 D CB 1.048 41.821 40.800 -0.046 0.000 1.260 297 D HN 1.000 nan 8.370 nan 0.000 0.637 298 G N -1.861 106.982 108.800 0.072 0.000 2.500 298 G HA2 0.541 4.532 3.960 0.052 0.000 0.299 298 G HA3 0.541 4.532 3.960 0.052 0.000 0.299 298 G C -1.254 173.671 174.900 0.042 0.000 1.242 298 G CA -0.760 44.359 45.100 0.032 0.000 0.859 298 G HN 0.483 nan 8.290 nan 0.000 0.481 299 R N -1.312 119.205 120.500 0.028 0.000 2.795 299 R HA 0.646 5.017 4.340 0.052 0.000 0.268 299 R C -1.497 174.882 176.300 0.132 0.000 1.041 299 R CA -0.724 55.428 56.100 0.085 0.000 0.927 299 R CB 1.651 32.027 30.300 0.127 0.000 1.235 299 R HN 0.631 nan 8.270 nan 0.000 0.463 300 I N 1.278 121.934 120.570 0.143 0.000 2.509 300 I HA 0.283 4.484 4.170 0.052 0.000 0.293 300 I C -0.679 175.516 176.117 0.129 0.000 1.020 300 I CA -1.056 60.330 61.300 0.143 0.000 1.088 300 I CB 1.387 39.444 38.000 0.095 0.000 1.267 300 I HN 0.226 nan 8.210 nan 0.000 0.430 301 L N 6.520 127.820 121.223 0.129 0.000 2.410 301 L HA 0.135 4.506 4.340 0.052 0.000 0.273 301 L C 1.531 178.403 176.870 0.004 0.000 1.144 301 L CA 0.451 55.305 54.840 0.024 0.000 0.863 301 L CB 1.011 43.112 42.059 0.069 0.000 1.140 301 L HN 0.806 nan 8.230 nan 0.000 0.463 302 T N -1.474 113.046 114.554 -0.056 0.000 3.067 302 T HA 0.061 4.442 4.350 0.052 0.000 0.261 302 T C 0.732 175.415 174.700 -0.029 0.000 1.110 302 T CA 0.458 62.536 62.100 -0.037 0.000 1.113 302 T CB 0.146 68.972 68.868 -0.069 0.000 0.917 302 T HN 0.625 nan 8.240 nan 0.000 0.499 303 S N -0.300 115.385 115.700 -0.025 0.000 2.611 303 S HA 0.457 4.958 4.470 0.052 0.000 0.268 303 S C -2.098 172.518 174.600 0.026 0.000 1.156 303 S CA -1.160 57.042 58.200 0.004 0.000 0.817 303 S CB 0.990 64.194 63.200 0.007 0.000 1.122 303 S HN 0.027 nan 8.310 nan 0.000 0.466 304 D N 1.171 121.591 120.400 0.033 0.000 2.458 304 D HA 0.465 5.136 4.640 0.052 0.000 0.243 304 D C -0.939 175.426 176.300 0.109 0.000 1.146 304 D CA 1.106 55.131 54.000 0.042 0.000 0.877 304 D CB 0.058 40.869 40.800 0.018 0.000 1.176 304 D HN 0.520 nan 8.370 nan 0.000 0.461 305 Y N 0.882 121.116 120.300 -0.111 0.000 2.436 305 Y HA 0.239 4.820 4.550 0.051 0.000 0.327 305 Y C -1.232 174.598 175.900 -0.115 0.000 1.138 305 Y CA -1.205 56.781 58.100 -0.190 0.000 1.042 305 Y CB 1.463 39.664 38.460 -0.432 0.000 1.302 305 Y HN 0.230 nan 8.280 nan 0.000 0.439 306 E N 5.574 125.497 120.200 -0.461 0.000 2.081 306 E HA 0.414 4.795 4.350 0.052 0.000 0.281 306 E C -2.068 174.132 176.600 -0.667 0.000 0.986 306 E CA -0.191 55.964 56.400 -0.409 0.000 0.796 306 E CB 0.404 29.968 29.700 -0.226 0.000 1.085 306 E HN 0.416 nan 8.360 nan 0.000 0.398 307 F N 5.549 125.127 119.950 -0.621 0.000 2.499 307 F HA 0.306 4.865 4.527 0.053 0.000 0.333 307 F C -0.388 175.327 175.800 -0.141 0.000 1.138 307 F CA -0.637 57.090 58.000 -0.456 0.000 0.945 307 F CB 0.675 39.521 39.000 -0.256 0.000 1.181 307 F HN 0.678 nan 8.300 nan 0.000 0.435 308 H N 4.193 122.900 119.070 -0.604 0.000 2.626 308 H HA -0.199 4.388 4.556 0.052 0.000 0.317 308 H C 1.416 176.583 175.328 -0.269 0.000 1.140 308 H CA 1.113 56.879 56.048 -0.470 0.000 1.134 308 H CB -1.014 28.384 29.762 -0.606 0.000 1.486 308 H HN 1.192 nan 8.280 nan 0.000 0.417 309 G N -0.980 107.719 108.800 -0.168 0.000 2.168 309 G HA2 -0.321 3.670 3.960 0.052 0.000 0.263 309 G HA3 -0.321 3.670 3.960 0.052 0.000 0.263 309 G C 0.278 175.137 174.900 -0.068 0.000 0.977 309 G CA 0.381 45.421 45.100 -0.100 0.000 0.659 309 G HN 0.471 nan 8.290 nan 0.000 0.533 310 V N 0.491 120.343 119.914 -0.103 0.000 2.459 310 V HA 0.566 4.717 4.120 0.052 0.000 0.295 310 V C 0.398 176.410 176.094 -0.136 0.000 1.029 310 V CA -0.774 61.458 62.300 -0.114 0.000 0.874 310 V CB 1.844 33.533 31.823 -0.224 0.000 0.985 310 V HN 0.340 nan 8.190 nan 0.000 0.438 311 Q N 4.595 124.369 119.800 -0.044 0.000 2.324 311 Q HA 0.377 4.748 4.340 0.052 0.000 0.257 311 Q C -0.972 175.065 176.000 0.063 0.000 1.080 311 Q CA 0.367 56.172 55.803 0.004 0.000 0.907 311 Q CB 0.251 29.034 28.738 0.075 0.000 1.274 311 Q HN 0.660 nan 8.270 nan 0.000 0.434 312 L N 3.417 124.621 121.223 -0.032 0.000 2.312 312 L HA 0.480 4.851 4.340 0.052 0.000 0.281 312 L C 0.116 177.048 176.870 0.103 0.000 1.070 312 L CA -0.972 53.907 54.840 0.066 0.000 0.805 312 L CB 0.948 42.969 42.059 -0.063 0.000 1.174 312 L HN 0.325 nan 8.230 nan 0.000 0.434 313 K N 2.312 122.793 120.400 0.135 0.000 2.138 313 K HA 0.258 4.609 4.320 0.052 0.000 0.263 313 K C -0.464 176.163 176.600 0.044 0.000 0.965 313 K CA -0.705 55.533 56.287 -0.082 0.000 0.868 313 K CB 1.323 33.483 32.500 -0.567 0.000 1.083 313 K HN 0.311 nan 8.250 nan 0.000 0.443 314 K N 0.879 121.286 120.400 0.012 0.000 2.530 314 K HA 0.002 4.353 4.320 0.052 0.000 0.280 314 K C 0.667 177.308 176.600 0.068 0.000 1.004 314 K CA 1.585 57.894 56.287 0.036 0.000 1.071 314 K CB -0.136 32.373 32.500 0.015 0.000 0.876 314 K HN 0.724 nan 8.250 nan 0.000 0.487 315 G N 2.988 111.845 108.800 0.095 0.000 2.253 315 G HA2 -0.235 3.756 3.960 0.052 0.000 0.251 315 G HA3 -0.235 3.756 3.960 0.052 0.000 0.251 315 G C -0.328 174.688 174.900 0.192 0.000 0.998 315 G CA 0.237 45.409 45.100 0.120 0.000 0.621 315 G HN 0.753 nan 8.290 nan 0.000 0.524 316 D N 1.657 122.221 120.400 0.273 0.000 2.455 316 D HA 0.379 5.050 4.640 0.052 0.000 0.241 316 D C 0.906 177.435 176.300 0.381 0.000 1.138 316 D CA 0.568 54.834 54.000 0.443 0.000 0.877 316 D CB 0.495 41.728 40.800 0.722 0.000 1.187 316 D HN 0.516 nan 8.370 nan 0.000 0.451 317 Q N 1.020 121.023 119.800 0.338 0.000 2.235 317 Q HA 0.557 4.928 4.340 0.052 0.000 0.250 317 Q C -0.298 175.903 176.000 0.335 0.000 0.909 317 Q CA -0.536 55.412 55.803 0.242 0.000 0.910 317 Q CB 2.333 31.136 28.738 0.108 0.000 1.223 317 Q HN 0.474 nan 8.270 nan 0.000 0.432 318 I N 2.812 123.540 120.570 0.264 0.000 2.447 318 I HA 0.245 4.446 4.170 0.052 0.000 0.287 318 I C -1.542 174.632 176.117 0.095 0.000 1.023 318 I CA -1.090 60.375 61.300 0.276 0.000 1.083 318 I CB 1.153 39.315 38.000 0.268 0.000 1.245 318 I HN 0.489 nan 8.210 nan 0.000 0.434 319 L N 8.355 129.647 121.223 0.115 0.000 2.331 319 L HA 0.425 4.796 4.340 0.052 0.000 0.278 319 L C -1.129 175.750 176.870 0.015 0.000 1.106 319 L CA 0.294 55.158 54.840 0.041 0.000 0.824 319 L CB 0.824 42.944 42.059 0.101 0.000 1.142 319 L HN 0.560 nan 8.230 nan 0.000 0.443 320 L N 7.442 128.641 121.223 -0.040 0.000 2.495 320 L HA 0.390 4.761 4.340 0.052 0.000 0.248 320 L C -2.258 174.649 176.870 0.062 0.000 1.229 320 L CA -1.591 53.178 54.840 -0.118 0.000 0.942 320 L CB 1.062 42.788 42.059 -0.556 0.000 1.242 320 L HN 0.491 nan 8.230 nan 0.000 0.484 321 P HA 0.119 nan 4.420 nan 0.000 0.269 321 P C 0.241 177.512 177.300 -0.049 0.000 1.263 321 P CA -0.110 62.973 63.100 -0.029 0.000 0.813 321 P CB 1.037 32.732 31.700 -0.008 0.000 0.868 322 Q N 2.819 122.595 119.800 -0.041 0.000 2.112 322 Q HA -0.225 4.146 4.340 0.052 0.000 0.206 322 Q C 1.921 177.834 176.000 -0.145 0.000 0.987 322 Q CA 1.801 57.566 55.803 -0.064 0.000 0.858 322 Q CB -0.632 28.037 28.738 -0.115 0.000 0.905 322 Q HN 0.501 nan 8.270 nan 0.000 0.420 323 M N -0.319 119.128 119.600 -0.256 0.000 2.143 323 M HA -0.251 4.260 4.480 0.052 0.000 0.258 323 M C 1.439 177.601 176.300 -0.230 0.000 1.071 323 M CA 1.606 56.716 55.300 -0.316 0.000 1.088 323 M CB -0.051 32.230 32.600 -0.531 0.000 1.360 323 M HN 0.304 nan 8.290 nan 0.000 0.404 324 L N -0.937 120.183 121.223 -0.173 0.000 2.240 324 L HA -0.107 4.264 4.340 0.052 0.000 0.211 324 L C 2.381 179.190 176.870 -0.103 0.000 1.106 324 L CA 0.505 55.274 54.840 -0.118 0.000 0.793 324 L CB -0.401 41.611 42.059 -0.078 0.000 0.927 324 L HN 0.296 nan 8.230 nan 0.000 0.446 325 S N 0.326 115.972 115.700 -0.090 0.000 2.359 325 S HA -0.163 4.338 4.470 0.052 0.000 0.224 325 S C 1.924 176.482 174.600 -0.070 0.000 1.035 325 S CA 1.559 59.712 58.200 -0.078 0.000 1.018 325 S CB -0.497 62.661 63.200 -0.070 0.000 0.876 325 S HN 0.608 nan 8.310 nan 0.000 0.448 326 G N 0.575 109.336 108.800 -0.064 0.000 2.623 326 G HA2 0.072 4.063 3.960 0.052 0.000 0.214 326 G HA3 0.072 4.063 3.960 0.052 0.000 0.214 326 G C 1.129 175.972 174.900 -0.094 0.000 1.138 326 G CA 0.063 45.133 45.100 -0.050 0.000 0.794 326 G HN 0.438 nan 8.290 nan 0.000 0.535 327 L N 0.328 121.480 121.223 -0.119 0.000 2.558 327 L HA 0.150 4.521 4.340 0.052 0.000 0.225 327 L C 0.598 177.409 176.870 -0.099 0.000 1.128 327 L CA -0.211 54.552 54.840 -0.129 0.000 0.868 327 L CB 0.003 41.976 42.059 -0.144 0.000 1.006 327 L HN 0.037 nan 8.230 nan 0.000 0.454 328 D N 1.576 121.924 120.400 -0.087 0.000 2.358 328 D HA -0.067 4.604 4.640 0.052 0.000 0.258 328 D C 1.299 177.561 176.300 -0.063 0.000 1.223 328 D CA 0.051 54.005 54.000 -0.077 0.000 0.886 328 D CB 1.075 41.828 40.800 -0.079 0.000 1.120 328 D HN 0.366 nan 8.370 nan 0.000 0.482 329 E N 3.690 123.857 120.200 -0.056 0.000 2.265 329 E HA -0.209 4.172 4.350 0.052 0.000 0.196 329 E C 1.185 177.763 176.600 -0.036 0.000 0.996 329 E CA 0.595 56.971 56.400 -0.041 0.000 0.832 329 E CB -0.065 29.615 29.700 -0.033 0.000 0.756 329 E HN 0.452 nan 8.360 nan 0.000 0.491 330 R N 0.665 121.139 120.500 -0.043 0.000 2.193 330 R HA -0.052 4.319 4.340 0.052 0.000 0.229 330 R C 1.799 178.077 176.300 -0.037 0.000 1.110 330 R CA 1.387 57.463 56.100 -0.040 0.000 0.988 330 R CB -0.069 30.202 30.300 -0.047 0.000 0.871 330 R HN 0.382 nan 8.270 nan 0.000 0.458 331 E N -0.388 119.787 120.200 -0.041 0.000 2.290 331 E HA 0.112 4.493 4.350 0.052 0.000 0.197 331 E C -0.097 176.487 176.600 -0.026 0.000 0.948 331 E CA 0.224 56.602 56.400 -0.037 0.000 0.895 331 E CB 0.531 30.203 29.700 -0.046 0.000 0.865 331 E HN 0.216 nan 8.360 nan 0.000 0.486 332 N N 0.482 119.165 118.700 -0.027 0.000 2.454 332 N HA 0.278 5.049 4.740 0.052 0.000 0.291 332 N C -1.096 174.405 175.510 -0.015 0.000 1.079 332 N CA -0.174 52.864 53.050 -0.019 0.000 0.893 332 N CB 2.114 40.587 38.487 -0.023 0.000 1.512 332 N HN -0.028 nan 8.380 nan 0.000 0.497 333 A N 0.558 123.374 122.820 -0.006 0.000 2.520 333 A HA 0.182 4.533 4.320 0.052 0.000 0.235 333 A C 0.775 178.371 177.584 0.021 0.000 1.065 333 A CA 0.064 52.102 52.037 0.002 0.000 0.764 333 A CB -0.227 18.772 19.000 -0.001 0.000 1.002 333 A HN 0.971 nan 8.150 nan 0.000 0.502 334 C N 1.892 121.220 119.300 0.047 0.000 3.563 334 C HA -0.097 4.394 4.460 0.052 0.000 0.284 334 C C -0.562 174.487 174.990 0.099 0.000 1.356 334 C CA 0.059 59.164 59.018 0.145 0.000 2.166 334 C CB -2.252 25.602 27.740 0.190 0.000 1.399 334 C HN 0.846 nan 8.230 nan 0.000 0.583 335 P HA -0.143 nan 4.420 nan 0.000 0.221 335 P C 1.444 178.660 177.300 -0.140 0.000 1.150 335 P CA 1.417 64.478 63.100 -0.065 0.000 0.800 335 P CB 0.010 31.662 31.700 -0.079 0.000 0.787 336 M N -1.349 118.140 119.600 -0.185 0.000 2.557 336 M HA 0.002 4.513 4.480 0.052 0.000 0.259 336 M C 0.890 176.979 176.300 -0.353 0.000 1.086 336 M CA 0.601 55.723 55.300 -0.297 0.000 1.096 336 M CB -1.584 30.835 32.600 -0.302 0.000 1.424 336 M HN 0.054 nan 8.290 nan 0.000 0.488 337 H N 0.072 119.075 119.070 -0.111 0.000 2.646 337 H HA 0.276 4.864 4.556 0.052 0.000 0.325 337 H C -0.313 174.930 175.328 -0.141 0.000 1.075 337 H CA -0.342 55.655 56.048 -0.084 0.000 1.421 337 H CB 1.346 31.088 29.762 -0.033 0.000 1.461 337 H HN -0.171 nan 8.280 nan 0.000 0.525 338 V N 3.929 123.804 119.914 -0.064 0.000 2.385 338 V HA -0.005 4.146 4.120 0.052 0.000 0.269 338 V C 0.341 176.428 176.094 -0.011 0.000 1.043 338 V CA -0.173 62.007 62.300 -0.199 0.000 0.906 338 V CB 1.018 32.470 31.823 -0.619 0.000 0.995 338 V HN 0.691 nan 8.190 nan 0.000 0.467 339 D N 4.355 124.748 120.400 -0.012 0.000 2.440 339 D HA 0.336 5.007 4.640 0.052 0.000 0.252 339 D C 0.471 176.844 176.300 0.122 0.000 1.180 339 D CA -0.557 53.454 54.000 0.019 0.000 0.894 339 D CB 0.917 41.736 40.800 0.032 0.000 1.111 339 D HN 0.225 nan 8.370 nan 0.000 0.544 340 F N 1.283 121.321 119.950 0.147 0.000 2.408 340 F HA -0.031 4.527 4.527 0.051 0.000 0.300 340 F C 2.124 177.969 175.800 0.074 0.000 1.090 340 F CA 0.491 58.560 58.000 0.116 0.000 1.427 340 F CB -0.451 38.633 39.000 0.140 0.000 1.070 340 F HN 0.280 nan 8.300 nan 0.000 0.549 341 S N -0.854 114.976 115.700 0.216 0.000 2.572 341 S HA 0.092 4.593 4.470 0.052 0.000 0.228 341 S C 0.806 175.462 174.600 0.092 0.000 0.963 341 S CA -0.546 57.732 58.200 0.131 0.000 0.939 341 S CB -0.263 62.992 63.200 0.092 0.000 0.804 341 S HN 0.168 nan 8.310 nan 0.000 0.480 342 R N 1.991 122.551 120.500 0.100 0.000 2.537 342 R HA -0.021 4.350 4.340 0.052 0.000 0.281 342 R C 1.087 177.424 176.300 0.062 0.000 0.988 342 R CA 0.439 56.580 56.100 0.068 0.000 1.077 342 R CB 0.298 30.639 30.300 0.069 0.000 0.932 342 R HN 0.267 nan 8.270 nan 0.000 0.409 343 Q N 2.236 122.062 119.800 0.043 0.000 2.163 343 Q HA -0.081 4.290 4.340 0.052 0.000 0.198 343 Q C 0.167 176.190 176.000 0.037 0.000 0.954 343 Q CA 1.178 57.004 55.803 0.038 0.000 0.851 343 Q CB 0.153 28.907 28.738 0.027 0.000 0.928 343 Q HN 0.245 nan 8.270 nan 0.000 0.459 344 K N 0.890 121.309 120.400 0.033 0.000 2.626 344 K HA 0.234 4.585 4.320 0.052 0.000 0.223 344 K C -1.505 175.116 176.600 0.035 0.000 0.992 344 K CA -0.340 55.964 56.287 0.029 0.000 1.024 344 K CB 0.979 33.489 32.500 0.017 0.000 1.225 344 K HN -0.261 nan 8.250 nan 0.000 0.498 345 V N 3.186 123.134 119.914 0.056 0.000 2.352 345 V HA 0.212 4.363 4.120 0.052 0.000 0.253 345 V C 0.110 176.258 176.094 0.090 0.000 1.083 345 V CA -0.408 61.943 62.300 0.085 0.000 0.993 345 V CB 0.458 32.354 31.823 0.122 0.000 1.111 345 V HN 0.737 nan 8.190 nan 0.000 0.490 346 S N 5.218 120.948 115.700 0.049 0.000 2.457 346 S HA 0.686 5.187 4.470 0.052 0.000 0.289 346 S C -0.526 174.098 174.600 0.040 0.000 1.163 346 S CA -0.447 57.750 58.200 -0.005 0.000 1.078 346 S CB 0.200 63.387 63.200 -0.021 0.000 0.987 346 S HN 1.081 nan 8.310 nan 0.000 0.482 347 H N -0.039 119.004 119.070 -0.045 0.000 3.003 347 H HA 0.520 5.107 4.556 0.051 0.000 0.327 347 H C -0.532 174.763 175.328 -0.056 0.000 1.353 347 H CA -0.504 55.498 56.048 -0.078 0.000 1.142 347 H CB 0.781 30.476 29.762 -0.112 0.000 1.864 347 H HN 0.316 nan 8.280 nan 0.000 0.529 348 T N -1.901 112.675 114.554 0.036 0.000 3.448 348 T HA 0.175 4.556 4.350 0.052 0.000 0.271 348 T C 0.438 175.174 174.700 0.060 0.000 1.002 348 T CA 0.053 62.170 62.100 0.029 0.000 0.995 348 T CB -0.382 68.480 68.868 -0.009 0.000 1.153 348 T HN 0.636 nan 8.240 nan 0.000 0.510 349 T N 1.338 116.002 114.554 0.183 0.000 2.759 349 T HA 0.004 4.385 4.350 0.052 0.000 0.269 349 T C 0.466 174.959 174.700 -0.345 0.000 1.042 349 T CA 1.332 63.289 62.100 -0.239 0.000 1.140 349 T CB -0.384 68.115 68.868 -0.615 0.000 0.864 349 T HN 0.511 nan 8.240 nan 0.000 0.455 350 F N 1.118 121.084 119.950 0.025 0.000 2.645 350 F HA 0.471 5.029 4.527 0.051 0.000 0.300 350 F C 1.587 177.353 175.800 -0.057 0.000 1.115 350 F CA -0.263 57.719 58.000 -0.031 0.000 1.355 350 F CB -0.474 38.516 39.000 -0.018 0.000 1.026 350 F HN 0.292 nan 8.300 nan 0.000 0.536 351 G N 0.011 108.834 108.800 0.038 0.000 2.660 351 G HA2 -0.069 3.922 3.960 0.052 0.000 0.247 351 G HA3 -0.069 3.922 3.960 0.052 0.000 0.247 351 G C -1.472 173.414 174.900 -0.022 0.000 1.328 351 G CA -0.684 44.349 45.100 -0.112 0.000 0.884 351 G HN 0.525 nan 8.290 nan 0.000 0.531 352 H N -1.060 117.866 119.070 -0.239 0.000 3.112 352 H HA 0.673 5.260 4.556 0.051 0.000 0.347 352 H C 0.519 175.853 175.328 0.010 0.000 1.188 352 H CA 1.808 57.811 56.048 -0.074 0.000 1.240 352 H CB 1.315 31.081 29.762 0.007 0.000 1.920 352 H HN 2.669 nan 8.280 nan 0.000 0.535 353 G N 1.189 109.770 108.800 -0.365 0.000 2.568 353 G HA2 -0.254 3.737 3.960 0.052 0.000 0.222 353 G HA3 -0.254 3.737 3.960 0.052 0.000 0.222 353 G C 1.108 175.994 174.900 -0.024 0.000 1.321 353 G CA 0.483 45.536 45.100 -0.078 0.000 0.893 353 G HN 1.401 nan 8.290 nan 0.000 0.569 354 S N -0.991 114.733 115.700 0.041 0.000 2.474 354 S HA -0.035 4.466 4.470 0.052 0.000 0.235 354 S C 1.302 175.788 174.600 -0.190 0.000 0.997 354 S CA 1.804 59.946 58.200 -0.097 0.000 0.949 354 S CB -0.267 62.816 63.200 -0.196 0.000 0.766 354 S HN 0.746 nan 8.310 nan 0.000 0.517 355 H N 0.732 119.801 119.070 -0.001 0.000 2.519 355 H HA 0.402 4.991 4.556 0.054 0.000 0.289 355 H C 0.722 176.036 175.328 -0.023 0.000 1.040 355 H CA -0.380 55.669 56.048 0.000 0.000 1.165 355 H CB -0.097 29.677 29.762 0.021 0.000 1.462 355 H HN 0.365 nan 8.280 nan 0.000 0.555 359 G N 0.308 109.081 108.800 -0.045 0.000 3.284 359 G HA2 0.056 4.047 3.960 0.052 0.000 0.236 359 G HA3 0.056 4.047 3.960 0.052 0.000 0.236 359 G C 1.110 175.922 174.900 -0.146 0.000 1.158 359 G CA 0.314 45.391 45.100 -0.037 0.000 0.774 359 G HN 0.479 nan 8.290 nan 0.000 0.545 360 Q N -0.467 119.125 119.800 -0.346 0.000 2.167 360 Q HA -0.088 4.283 4.340 0.052 0.000 0.202 360 Q C 1.692 177.419 176.000 -0.456 0.000 0.970 360 Q CA 0.835 56.195 55.803 -0.738 0.000 0.855 360 Q CB -0.490 27.421 28.738 -1.377 0.000 0.911 360 Q HN 0.498 nan 8.270 nan 0.000 0.438 361 H N 0.605 119.553 119.070 -0.203 0.000 2.353 361 H HA -0.087 4.500 4.556 0.051 0.000 0.300 361 H C 2.222 177.519 175.328 -0.052 0.000 1.090 361 H CA 1.462 57.449 56.048 -0.101 0.000 1.327 361 H CB 0.012 29.734 29.762 -0.067 0.000 1.383 361 H HN 0.229 nan 8.280 nan 0.000 0.508 362 L N 1.240 122.511 121.223 0.080 0.000 2.017 362 L HA -0.079 4.292 4.340 0.052 0.000 0.208 362 L C 2.627 179.532 176.870 0.058 0.000 1.073 362 L CA 1.864 56.740 54.840 0.060 0.000 0.745 362 L CB -0.982 41.107 42.059 0.051 0.000 0.894 362 L HN 0.162 nan 8.230 nan 0.000 0.432 363 A N -0.313 122.525 122.820 0.029 0.000 1.865 363 A HA -0.249 4.102 4.320 0.052 0.000 0.217 363 A C 2.448 180.110 177.584 0.129 0.000 1.191 363 A CA 2.031 54.126 52.037 0.095 0.000 0.623 363 A CB -0.637 18.447 19.000 0.139 0.000 0.826 363 A HN 0.505 nan 8.150 nan 0.000 0.444 364 R N -1.266 119.275 120.500 0.069 0.000 2.091 364 R HA -0.135 4.236 4.340 0.052 0.000 0.238 364 R C 2.162 178.540 176.300 0.129 0.000 1.136 364 R CA 1.460 57.619 56.100 0.098 0.000 0.959 364 R CB -0.629 29.688 30.300 0.029 0.000 0.856 364 R HN 0.506 nan 8.270 nan 0.000 0.437 365 L N 1.531 122.826 121.223 0.120 0.000 2.012 365 L HA -0.237 4.134 4.340 0.052 0.000 0.210 365 L C 2.100 179.103 176.870 0.222 0.000 1.073 365 L CA 1.829 56.758 54.840 0.148 0.000 0.748 365 L CB -0.428 41.706 42.059 0.126 0.000 0.891 365 L HN 0.151 nan 8.230 nan 0.000 0.431 366 Q N -0.726 119.223 119.800 0.248 0.000 2.124 366 Q HA -0.194 4.177 4.340 0.052 0.000 0.202 366 Q C 2.245 178.533 176.000 0.480 0.000 0.977 366 Q CA 2.104 58.160 55.803 0.421 0.000 0.850 366 Q CB -0.210 28.693 28.738 0.276 0.000 0.901 366 Q HN 0.599 nan 8.270 nan 0.000 0.429 367 I N 0.135 120.915 120.570 0.349 0.000 2.163 367 I HA -0.269 3.932 4.170 0.052 0.000 0.240 367 I C 2.141 178.403 176.117 0.241 0.000 1.081 367 I CA 1.021 62.523 61.300 0.337 0.000 1.353 367 I CB -0.197 38.011 38.000 0.346 0.000 1.054 367 I HN 0.162 nan 8.210 nan 0.000 0.407 368 I N 0.031 120.718 120.570 0.194 0.000 2.127 368 I HA -0.294 3.907 4.170 0.052 0.000 0.241 368 I C 2.574 178.768 176.117 0.130 0.000 1.075 368 I CA 1.334 62.715 61.300 0.136 0.000 1.334 368 I CB -0.392 37.674 38.000 0.110 0.000 1.040 368 I HN 0.022 nan 8.210 nan 0.000 0.405 369 V N 0.558 120.574 119.914 0.170 0.000 2.282 369 V HA -0.338 3.813 4.120 0.052 0.000 0.249 369 V C 2.506 178.655 176.094 0.092 0.000 1.057 369 V CA 2.621 65.014 62.300 0.155 0.000 1.032 369 V CB -0.931 31.042 31.823 0.251 0.000 0.645 369 V HN 0.502 nan 8.190 nan 0.000 0.447 370 T N 0.304 114.920 114.554 0.103 0.000 2.708 370 T HA -0.140 4.241 4.350 0.052 0.000 0.266 370 T C 1.858 176.570 174.700 0.021 0.000 1.037 370 T CA 1.699 63.805 62.100 0.010 0.000 1.146 370 T CB -0.312 68.621 68.868 0.109 0.000 0.865 370 T HN 0.305 nan 8.240 nan 0.000 0.435 371 L N 0.567 121.821 121.223 0.052 0.000 1.989 371 L HA -0.152 4.219 4.340 0.052 0.000 0.211 371 L C 2.722 179.631 176.870 0.065 0.000 1.071 371 L CA 1.564 56.431 54.840 0.045 0.000 0.749 371 L CB -0.549 41.535 42.059 0.041 0.000 0.890 371 L HN 0.216 nan 8.230 nan 0.000 0.431 372 K N -0.246 120.187 120.400 0.055 0.000 2.020 372 K HA -0.193 4.158 4.320 0.052 0.000 0.212 372 K C 2.077 178.697 176.600 0.034 0.000 1.050 372 K CA 1.471 57.784 56.287 0.044 0.000 0.929 372 K CB -0.209 32.317 32.500 0.044 0.000 0.714 372 K HN 0.263 nan 8.250 nan 0.000 0.443 373 E N 0.010 120.226 120.200 0.027 0.000 2.152 373 E HA -0.162 4.219 4.350 0.052 0.000 0.192 373 E C 1.679 178.249 176.600 -0.051 0.000 0.983 373 E CA 0.598 56.991 56.400 -0.012 0.000 0.818 373 E CB -0.185 29.507 29.700 -0.013 0.000 0.758 373 E HN 0.468 nan 8.360 nan 0.000 0.467 374 W N 1.438 122.609 121.300 -0.214 0.000 2.379 374 W HA -0.087 4.605 4.660 0.052 0.000 0.307 374 W C 1.819 178.206 176.519 -0.220 0.000 1.200 374 W CA 0.931 58.093 57.345 -0.304 0.000 1.297 374 W CB -0.332 28.874 29.460 -0.424 0.000 1.140 374 W HN 0.027 nan 8.180 nan 0.000 0.507 375 L N 0.229 121.548 121.223 0.160 0.000 2.201 375 L HA -0.198 4.173 4.340 0.052 0.000 0.212 375 L C 2.372 179.253 176.870 0.018 0.000 1.105 375 L CA 1.534 56.460 54.840 0.143 0.000 0.775 375 L CB -1.129 41.019 42.059 0.148 0.000 0.913 375 L HN -0.164 nan 8.230 nan 0.000 0.440 376 T N -0.634 113.905 114.554 -0.026 0.000 2.788 376 T HA -0.147 4.234 4.350 0.052 0.000 0.268 376 T C 2.038 176.671 174.700 -0.112 0.000 1.044 376 T CA 1.331 63.399 62.100 -0.053 0.000 1.139 376 T CB -0.029 68.813 68.868 -0.044 0.000 0.867 376 T HN 0.341 nan 8.240 nan 0.000 0.454 377 R N -0.279 120.093 120.500 -0.213 0.000 2.142 377 R HA 0.356 4.727 4.340 0.052 0.000 0.204 377 R C 0.391 176.452 176.300 -0.398 0.000 1.059 377 R CA 0.522 56.443 56.100 -0.298 0.000 1.055 377 R CB 0.498 30.568 30.300 -0.384 0.000 0.976 377 R HN 0.282 nan 8.270 nan 0.000 0.483 378 I N 2.561 122.802 120.570 -0.548 0.000 2.750 378 I HA 0.199 4.400 4.170 0.052 0.000 0.279 378 I C -1.987 174.084 176.117 -0.077 0.000 1.206 378 I CA -1.672 59.280 61.300 -0.580 0.000 1.101 378 I CB 2.089 39.258 38.000 -1.385 0.000 1.431 378 I HN -0.104 nan 8.210 nan 0.000 0.551 379 P HA -0.041 nan 4.420 nan 0.000 0.222 379 P C 0.159 177.569 177.300 0.183 0.000 1.153 379 P CA 1.110 64.292 63.100 0.138 0.000 0.798 379 P CB 0.513 32.244 31.700 0.052 0.000 0.796 380 D N 0.015 120.525 120.400 0.184 0.000 2.462 380 D HA 0.386 5.057 4.640 0.052 0.000 0.245 380 D C -0.908 175.562 176.300 0.284 0.000 1.122 380 D CA -0.642 53.427 54.000 0.116 0.000 0.864 380 D CB 0.618 41.468 40.800 0.084 0.000 1.098 380 D HN -0.055 nan 8.370 nan 0.000 0.541 381 F N 0.072 120.101 119.950 0.132 0.000 2.686 381 F HA 0.785 5.343 4.527 0.051 0.000 0.311 381 F C -1.011 174.868 175.800 0.132 0.000 1.128 381 F CA -0.855 57.284 58.000 0.232 0.000 0.946 381 F CB 1.252 40.443 39.000 0.318 0.000 1.336 381 F HN 0.005 nan 8.300 nan 0.000 0.457 382 S N 1.268 117.139 115.700 0.286 0.000 2.618 382 S HA 0.600 5.101 4.470 0.052 0.000 0.277 382 S C -1.048 173.651 174.600 0.165 0.000 1.138 382 S CA -0.820 57.442 58.200 0.104 0.000 0.844 382 S CB 1.804 65.038 63.200 0.055 0.000 1.127 382 S HN 0.605 nan 8.310 nan 0.000 0.474 383 I N 2.111 122.724 120.570 0.072 0.000 2.710 383 I HA 0.126 4.327 4.170 0.052 0.000 0.286 383 I C 1.113 177.265 176.117 0.058 0.000 1.181 383 I CA -0.183 61.154 61.300 0.062 0.000 1.430 383 I CB -0.384 37.629 38.000 0.021 0.000 1.367 383 I HN 0.840 nan 8.210 nan 0.000 0.577 384 A N 8.926 131.778 122.820 0.055 0.000 2.565 384 A HA 0.214 4.565 4.320 0.052 0.000 0.237 384 A C -2.056 175.539 177.584 0.018 0.000 1.053 384 A CA -0.638 51.417 52.037 0.031 0.000 0.755 384 A CB -0.974 18.038 19.000 0.019 0.000 0.980 384 A HN 0.520 nan 8.150 nan 0.000 0.506 385 P HA 0.255 nan 4.420 nan 0.000 0.265 385 P C 1.126 178.430 177.300 0.006 0.000 1.193 385 P CA 1.625 64.729 63.100 0.007 0.000 0.765 385 P CB 0.601 32.303 31.700 0.003 0.000 0.823 386 G N 1.757 110.561 108.800 0.007 0.000 2.212 386 G HA2 -0.238 3.753 3.960 0.052 0.000 0.266 386 G HA3 -0.238 3.753 3.960 0.052 0.000 0.266 386 G C 0.452 175.356 174.900 0.008 0.000 0.978 386 G CA 0.089 45.193 45.100 0.007 0.000 0.632 386 G HN 0.878 nan 8.290 nan 0.000 0.537 387 A N 0.265 123.090 122.820 0.009 0.000 2.401 387 A HA 0.629 4.980 4.320 0.052 0.000 0.259 387 A C 0.457 178.047 177.584 0.011 0.000 1.103 387 A CA 0.221 52.263 52.037 0.008 0.000 0.789 387 A CB 0.300 19.304 19.000 0.007 0.000 1.035 387 A HN 0.488 nan 8.150 nan 0.000 0.491 388 Q N 2.150 121.956 119.800 0.010 0.000 2.340 388 Q HA 0.317 4.688 4.340 0.052 0.000 0.259 388 Q C -0.759 175.242 176.000 0.002 0.000 0.964 388 Q CA -0.683 55.132 55.803 0.019 0.000 0.900 388 Q CB 1.549 30.301 28.738 0.024 0.000 1.228 388 Q HN 0.594 nan 8.270 nan 0.000 0.449 389 I N 3.609 124.182 120.570 0.005 0.000 2.436 389 I HA 0.025 4.226 4.170 0.052 0.000 0.289 389 I C 0.450 176.474 176.117 -0.155 0.000 1.083 389 I CA 0.096 61.344 61.300 -0.086 0.000 1.372 389 I CB 0.233 38.185 38.000 -0.080 0.000 1.408 389 I HN 0.424 nan 8.210 nan 0.000 0.516 390 Q N 6.157 125.824 119.800 -0.222 0.000 2.230 390 Q HA 0.440 4.811 4.340 0.052 0.000 0.248 390 Q C -0.636 175.115 176.000 -0.415 0.000 0.915 390 Q CA -0.425 55.280 55.803 -0.164 0.000 0.900 390 Q CB 1.563 30.265 28.738 -0.060 0.000 1.229 390 Q HN 0.509 nan 8.270 nan 0.000 0.439 391 H N -0.510 118.597 119.070 0.063 0.000 2.834 391 H HA 0.619 5.205 4.556 0.051 0.000 0.369 391 H C -0.790 174.603 175.328 0.108 0.000 1.174 391 H CA -0.867 55.234 56.048 0.089 0.000 1.165 391 H CB 1.823 31.691 29.762 0.177 0.000 1.820 391 H HN 0.302 nan 8.280 nan 0.000 0.558 392 K N 0.550 121.102 120.400 0.253 0.000 2.443 392 K HA 0.509 4.860 4.320 0.052 0.000 0.252 392 K C -1.058 175.703 176.600 0.268 0.000 0.933 392 K CA -0.570 55.845 56.287 0.213 0.000 0.792 392 K CB 1.916 34.504 32.500 0.146 0.000 1.185 392 K HN 0.514 nan 8.250 nan 0.000 0.425 393 S N 2.126 117.986 115.700 0.266 0.000 2.578 393 S HA 0.903 5.404 4.470 0.052 0.000 0.283 393 S C -0.225 174.525 174.600 0.250 0.000 1.195 393 S CA 0.315 58.703 58.200 0.313 0.000 1.050 393 S CB 0.992 64.414 63.200 0.370 0.000 1.012 393 S HN 0.873 nan 8.310 nan 0.000 0.511 394 G N 2.627 111.540 108.800 0.187 0.000 2.450 394 G HA2 0.243 4.234 3.960 0.052 0.000 0.273 394 G HA3 0.243 4.234 3.960 0.052 0.000 0.273 394 G C 0.328 175.177 174.900 -0.085 0.000 1.221 394 G CA -0.361 44.751 45.100 0.020 0.000 0.900 394 G HN 0.544 nan 8.290 nan 0.000 0.483 395 I N 0.045 120.547 120.570 -0.112 0.000 2.208 395 I HA -0.008 4.193 4.170 0.052 0.000 0.245 395 I C 0.888 176.925 176.117 -0.133 0.000 1.097 395 I CA 1.550 62.708 61.300 -0.237 0.000 1.363 395 I CB -0.869 36.870 38.000 -0.435 0.000 1.051 395 I HN 0.002 nan 8.210 nan 0.000 0.413 396 V N 0.889 120.792 119.914 -0.018 0.000 2.444 396 V HA 0.303 4.454 4.120 0.052 0.000 0.294 396 V C 0.147 176.301 176.094 0.100 0.000 1.022 396 V CA -0.554 61.761 62.300 0.025 0.000 0.850 396 V CB 1.796 33.663 31.823 0.074 0.000 0.992 396 V HN 0.105 nan 8.190 nan 0.000 0.426 397 S N 2.305 118.079 115.700 0.123 0.000 2.652 397 S HA 0.888 5.389 4.470 0.052 0.000 0.270 397 S C 0.391 175.259 174.600 0.447 0.000 1.243 397 S CA 0.017 58.375 58.200 0.264 0.000 0.999 397 S CB 1.739 65.070 63.200 0.218 0.000 0.973 397 S HN 1.161 nan 8.310 nan 0.000 0.544 398 G N -0.459 108.592 108.800 0.419 0.000 2.649 398 G HA2 0.556 4.547 3.960 0.052 0.000 0.290 398 G HA3 0.556 4.547 3.960 0.052 0.000 0.290 398 G C -1.846 172.996 174.900 -0.098 0.000 1.426 398 G CA -0.496 44.679 45.100 0.124 0.000 0.794 398 G HN 0.602 nan 8.290 nan 0.000 0.483 399 V N 1.048 120.753 119.914 -0.347 0.000 2.398 399 V HA 0.256 4.407 4.120 0.052 0.000 0.286 399 V C 1.055 177.022 176.094 -0.212 0.000 1.026 399 V CA -0.324 61.749 62.300 -0.377 0.000 0.868 399 V CB 1.317 32.845 31.823 -0.491 0.000 0.982 399 V HN 0.894 nan 8.190 nan 0.000 0.443 400 Q N 2.965 122.647 119.800 -0.196 0.000 2.046 400 Q HA 0.131 4.502 4.340 0.052 0.000 0.200 400 Q C 0.640 176.589 176.000 -0.086 0.000 0.975 400 Q CA 1.540 57.283 55.803 -0.101 0.000 0.836 400 Q CB 0.295 28.986 28.738 -0.077 0.000 0.896 400 Q HN 0.887 nan 8.270 nan 0.000 0.428 401 A N 0.075 122.828 122.820 -0.112 0.000 2.589 401 A HA 0.556 4.907 4.320 0.052 0.000 0.296 401 A C -1.921 175.624 177.584 -0.065 0.000 1.062 401 A CA -0.601 51.400 52.037 -0.060 0.000 0.686 401 A CB 1.599 20.578 19.000 -0.034 0.000 1.282 401 A HN 0.107 nan 8.150 nan 0.000 0.404 402 L N 2.743 123.966 121.223 -0.000 0.000 2.490 402 L HA 0.503 4.874 4.340 0.052 0.000 0.256 402 L C -2.672 174.244 176.870 0.077 0.000 1.089 402 L CA -1.567 53.283 54.840 0.016 0.000 0.916 402 L CB 1.763 43.837 42.059 0.024 0.000 1.188 402 L HN 0.430 nan 8.230 nan 0.000 0.476 403 P HA 0.262 nan 4.420 nan 0.000 0.282 403 P C -0.914 176.448 177.300 0.103 0.000 1.274 403 P CA 0.056 63.201 63.100 0.075 0.000 0.770 403 P CB 0.966 32.688 31.700 0.037 0.000 0.867 404 L N 3.924 125.252 121.223 0.175 0.000 2.330 404 L HA 0.735 5.106 4.340 0.052 0.000 0.271 404 L C 0.506 177.509 176.870 0.221 0.000 1.013 404 L CA -1.220 53.785 54.840 0.275 0.000 0.816 404 L CB 2.134 44.452 42.059 0.432 0.000 1.287 404 L HN 0.213 nan 8.230 nan 0.000 0.435 405 V N -1.383 118.696 119.914 0.276 0.000 3.007 405 V HA 0.790 4.941 4.120 0.052 0.000 0.311 405 V C -1.653 174.651 176.094 0.350 0.000 1.120 405 V CA -0.620 61.712 62.300 0.054 0.000 0.980 405 V CB 1.785 33.604 31.823 -0.008 0.000 1.033 405 V HN 0.978 nan 8.190 nan 0.000 0.429 406 W N 0.616 121.989 121.300 0.122 0.000 3.066 406 W HA 0.765 5.455 4.660 0.051 0.000 0.330 406 W C -1.700 174.858 176.519 0.063 0.000 1.253 406 W CA -0.715 56.701 57.345 0.118 0.000 1.187 406 W CB 0.927 30.486 29.460 0.165 0.000 1.434 406 W HN 0.697 nan 8.180 nan 0.000 0.572 407 D N 1.878 122.445 120.400 0.278 0.000 2.313 407 D HA 0.380 5.051 4.640 0.052 0.000 0.239 407 D C -1.477 174.980 176.300 0.262 0.000 1.142 407 D CA -2.458 51.636 54.000 0.158 0.000 0.847 407 D CB 1.952 42.819 40.800 0.111 0.000 1.082 407 D HN 0.034 nan 8.370 nan 0.000 0.480 408 P HA -0.138 nan 4.420 nan 0.000 0.217 408 P C 0.949 178.330 177.300 0.135 0.000 1.148 408 P CA 1.317 64.552 63.100 0.224 0.000 0.828 408 P CB 0.152 31.922 31.700 0.117 0.000 0.783 409 A N -0.507 122.369 122.820 0.094 0.000 2.070 409 A HA -0.163 4.188 4.320 0.052 0.000 0.220 409 A C 2.021 179.642 177.584 0.060 0.000 1.159 409 A CA 2.169 54.243 52.037 0.062 0.000 0.656 409 A CB -1.727 17.300 19.000 0.045 0.000 0.800 409 A HN 0.366 nan 8.150 nan 0.000 0.453 410 T N -2.479 112.126 114.554 0.086 0.000 3.107 410 T HA 0.150 4.531 4.350 0.052 0.000 0.249 410 T C 0.871 175.594 174.700 0.038 0.000 1.096 410 T CA 0.688 62.827 62.100 0.066 0.000 1.012 410 T CB -0.860 68.061 68.868 0.088 0.000 0.977 410 T HN 0.543 nan 8.240 nan 0.000 0.527 411 T N -0.199 114.376 114.554 0.033 0.000 2.881 411 T HA 0.656 5.037 4.350 0.052 0.000 0.278 411 T C -0.749 173.926 174.700 -0.042 0.000 0.982 411 T CA -0.864 61.212 62.100 -0.040 0.000 0.989 411 T CB 1.400 70.234 68.868 -0.058 0.000 1.058 411 T HN 0.103 nan 8.240 nan 0.000 0.529 412 K N 0.469 120.821 120.400 -0.080 0.000 2.471 412 K HA 0.658 5.009 4.320 0.052 0.000 0.252 412 K C -0.716 175.839 176.600 -0.076 0.000 0.938 412 K CA -0.501 55.751 56.287 -0.060 0.000 0.796 412 K CB 2.006 34.476 32.500 -0.051 0.000 1.161 412 K HN 0.884 nan 8.250 nan 0.000 0.425 413 A N 2.674 125.463 122.820 -0.052 0.000 2.354 413 A HA 0.532 4.883 4.320 0.052 0.000 0.281 413 A C -0.366 177.192 177.584 -0.044 0.000 1.174 413 A CA -0.324 51.683 52.037 -0.051 0.000 0.828 413 A CB 0.320 19.302 19.000 -0.030 0.000 1.099 413 A HN 0.553 nan 8.150 nan 0.000 0.516 414 V N 0.000 119.883 119.914 -0.051 0.000 2.409 414 V HA 0.000 4.151 4.120 0.052 0.000 0.244 414 V CA 0.000 62.278 62.300 -0.037 0.000 1.235 414 V CB 0.000 31.799 31.823 -0.041 0.000 1.184 414 V HN 0.000 nan 8.190 nan 0.000 0.556