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 2q3e_1_C DATA FIRST_RESID 1 DATA SEQUENCE MFEIKKICCI GAGYVGGPTC SVIAHMCPEI RVTVVDVNES RINAWNSPTL DATA SEQUENCE PIYEPGLKEV VESCRGKNLF FSTNIDDAIK EADLVFISVN TPTKTYGMGK DATA SEQUENCE GRAADLKYIE ACARRIVQNS NGYKIVTEKS TVPVRAAESI RRIFDANTKP DATA SEQUENCE NLNLQVLSNP EFLAEGTAIK DLKNPDRVLI GGDETPEGQR AVQALCAVYE DATA SEQUENCE HWVPREKILT TNTWSSELSK LAANAFLAQR ISSINSISAL CEATGADVEE DATA SEQUENCE VATAIGMDQR IGNKFLKASV GFGGSCFQKD VLNLVYLCEA LNLPEVARYW DATA SEQUENCE QQVIDMNDYQ RRRFASRIID SLFNTVTDKK IAILGFAFKK DTGDTRESSS DATA SEQUENCE IYISKYLMDE GAHLHIYDPK VPREQIVVDL SHXXXXXXDQ VSRLVTISKD DATA SEQUENCE PYEACDGAHA VVICTEWDMF KELDYERIHK KMLKPAFIFD GRRVLDGLHN DATA SEQUENCE ELQTIGFQIE TIGKKV 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.346 176.300 0.076 0.000 1.140 1 M CA 0.000 55.331 55.300 0.052 0.000 0.988 1 M CB 0.000 32.620 32.600 0.034 0.000 1.302 2 F N 2.155 122.090 119.950 -0.025 0.000 2.427 2 F HA 0.632 5.159 4.527 -0.001 0.000 0.352 2 F C 0.685 176.493 175.800 0.014 0.000 1.100 2 F CA 0.049 58.036 58.000 -0.021 0.000 1.191 2 F CB 0.703 39.688 39.000 -0.025 0.000 1.128 2 F HN 0.845 nan 8.300 nan 0.000 0.533 3 E N 7.232 126.972 120.200 -0.767 0.000 2.109 3 E HA 0.288 4.638 4.350 -0.001 0.000 0.278 3 E C -0.722 175.398 176.600 -0.800 0.000 0.954 3 E CA -0.683 55.385 56.400 -0.553 0.000 0.779 3 E CB 0.710 30.229 29.700 -0.301 0.000 1.093 3 E HN 0.678 nan 8.360 nan 0.000 0.401 4 I N 5.445 125.789 120.570 -0.376 0.000 2.517 4 I HA 0.001 4.171 4.170 -0.001 0.000 0.285 4 I C 1.083 177.117 176.117 -0.139 0.000 1.106 4 I CA 0.522 61.725 61.300 -0.163 0.000 1.402 4 I CB 0.584 38.584 38.000 -0.001 0.000 1.399 4 I HN 0.547 nan 8.210 nan 0.000 0.535 5 K N 5.060 125.390 120.400 -0.117 0.000 2.450 5 K HA 0.272 4.591 4.320 -0.001 0.000 0.206 5 K C -0.123 176.445 176.600 -0.053 0.000 1.148 5 K CA -0.028 56.207 56.287 -0.086 0.000 1.014 5 K CB 0.768 33.212 32.500 -0.093 0.000 0.966 5 K HN 0.436 nan 8.250 nan 0.000 0.566 6 K N 1.618 121.996 120.400 -0.037 0.000 2.507 6 K HA 0.457 4.777 4.320 -0.001 0.000 0.252 6 K C -1.062 175.517 176.600 -0.036 0.000 0.943 6 K CA -0.357 55.910 56.287 -0.032 0.000 0.808 6 K CB 2.293 34.775 32.500 -0.030 0.000 1.142 6 K HN -0.082 nan 8.250 nan 0.000 0.426 7 I N 2.176 122.724 120.570 -0.036 0.000 2.433 7 I HA 0.281 4.451 4.170 -0.001 0.000 0.292 7 I C -0.440 175.664 176.117 -0.021 0.000 1.001 7 I CA -1.015 60.258 61.300 -0.044 0.000 1.119 7 I CB 1.726 39.719 38.000 -0.010 0.000 1.289 7 I HN 0.605 nan 8.210 nan 0.000 0.438 8 C N 6.624 125.908 119.300 -0.027 0.000 2.351 8 C HA 0.631 5.090 4.460 -0.001 0.000 0.326 8 C C -0.053 174.978 174.990 0.069 0.000 1.272 8 C CA -0.583 58.436 59.018 0.001 0.000 1.650 8 C CB 0.364 28.095 27.740 -0.014 0.000 2.257 8 C HN 0.953 nan 8.230 nan 0.000 0.505 9 C N 8.327 127.679 119.300 0.087 0.000 2.301 9 C HA 0.616 5.076 4.460 -0.001 0.000 0.323 9 C C -0.177 174.861 174.990 0.080 0.000 1.265 9 C CA -0.706 58.404 59.018 0.153 0.000 1.503 9 C CB -1.066 26.744 27.740 0.117 0.000 2.195 9 C HN 0.836 nan 8.230 nan 0.000 0.477 10 I N 6.389 127.021 120.570 0.103 0.000 2.337 10 I HA 0.529 4.699 4.170 -0.001 0.000 0.291 10 I C 0.900 177.062 176.117 0.075 0.000 1.046 10 I CA 0.848 62.197 61.300 0.081 0.000 1.324 10 I CB 0.503 38.557 38.000 0.089 0.000 1.409 10 I HN 1.055 nan 8.210 nan 0.000 0.494 11 G N 4.658 113.495 108.800 0.061 0.000 3.353 11 G HA2 0.123 4.083 3.960 -0.001 0.000 0.682 11 G HA3 0.123 4.083 3.960 -0.001 0.000 0.682 11 G C -0.331 174.599 174.900 0.050 0.000 1.192 11 G CA -0.392 44.742 45.100 0.056 0.000 1.111 11 G HN 0.930 nan 8.290 nan 0.000 0.493 12 A N 1.687 124.560 122.820 0.090 0.000 3.282 12 A HA 0.791 5.110 4.320 -0.001 0.000 0.287 12 A C 1.321 179.084 177.584 0.299 0.000 1.366 12 A CA 1.058 53.154 52.037 0.099 0.000 1.069 12 A CB -0.174 18.903 19.000 0.129 0.000 1.109 12 A HN 1.938 nan 8.150 nan 0.000 0.638 13 G N -1.261 107.661 108.800 0.203 0.000 2.695 13 G HA2 0.378 4.337 3.960 -0.001 0.000 0.213 13 G HA3 0.378 4.337 3.960 -0.001 0.000 0.213 13 G C 0.467 175.503 174.900 0.228 0.000 1.406 13 G CA -0.283 44.952 45.100 0.225 0.000 1.049 13 G HN 0.298 nan 8.290 nan 0.000 0.573 14 Y N -1.069 119.335 120.300 0.173 0.000 2.403 14 Y HA -0.034 4.515 4.550 -0.001 0.000 0.291 14 Y C 2.720 178.680 175.900 0.101 0.000 1.143 14 Y CA 0.768 58.959 58.100 0.152 0.000 1.257 14 Y CB -0.117 38.404 38.460 0.102 0.000 0.984 14 Y HN 0.055 nan 8.280 nan 0.000 0.550 15 V N -1.449 118.577 119.914 0.187 0.000 2.403 15 V HA -0.038 4.082 4.120 -0.001 0.000 0.239 15 V C 2.469 178.561 176.094 -0.004 0.000 1.041 15 V CA 1.533 63.873 62.300 0.066 0.000 1.051 15 V CB -1.136 30.697 31.823 0.017 0.000 0.704 15 V HN 0.399 nan 8.190 nan 0.000 0.472 16 G N 0.325 109.117 108.800 -0.013 0.000 2.459 16 G HA2 -0.183 3.777 3.960 -0.001 0.000 0.217 16 G HA3 -0.183 3.777 3.960 -0.001 0.000 0.217 16 G C 1.617 176.416 174.900 -0.168 0.000 1.183 16 G CA 1.176 46.222 45.100 -0.088 0.000 0.776 16 G HN 0.579 nan 8.290 nan 0.000 0.552 17 G N 1.641 110.312 108.800 -0.215 0.000 2.511 17 G HA2 -0.098 3.862 3.960 -0.001 0.000 0.216 17 G HA3 -0.098 3.862 3.960 -0.001 0.000 0.216 17 G C 0.097 174.842 174.900 -0.258 0.000 1.218 17 G CA 1.373 46.122 45.100 -0.585 0.000 0.788 17 G HN 0.424 nan 8.290 nan 0.000 0.560 18 P HA -0.085 nan 4.420 nan 0.000 0.215 18 P C 2.383 179.665 177.300 -0.030 0.000 1.153 18 P CA 2.486 65.599 63.100 0.022 0.000 0.853 18 P CB -0.389 31.364 31.700 0.090 0.000 0.788 19 T N -3.315 111.210 114.554 -0.050 0.000 2.684 19 T HA -0.209 4.140 4.350 -0.001 0.000 0.267 19 T C 1.977 176.629 174.700 -0.080 0.000 1.036 19 T CA 1.611 63.678 62.100 -0.055 0.000 1.148 19 T CB -1.697 67.087 68.868 -0.141 0.000 0.863 19 T HN 0.065 nan 8.240 nan 0.000 0.436 20 C N 1.454 120.673 119.300 -0.136 0.000 2.457 20 C HA 0.068 4.528 4.460 -0.001 0.000 0.278 20 C C 3.411 178.309 174.990 -0.152 0.000 1.309 20 C CA 0.814 59.748 59.018 -0.139 0.000 1.735 20 C CB -1.388 26.229 27.740 -0.205 0.000 1.992 20 C HN 0.634 nan 8.230 nan 0.000 0.493 21 S N 0.857 116.470 115.700 -0.145 0.000 2.370 21 S HA -0.157 4.312 4.470 -0.001 0.000 0.226 21 S C 1.864 176.401 174.600 -0.106 0.000 1.033 21 S CA 1.619 59.760 58.200 -0.099 0.000 1.011 21 S CB -0.325 62.858 63.200 -0.028 0.000 0.852 21 S HN 0.511 nan 8.310 nan 0.000 0.457 22 V N 1.642 121.474 119.914 -0.136 0.000 2.453 22 V HA -0.082 4.037 4.120 -0.001 0.000 0.247 22 V C 2.017 177.878 176.094 -0.389 0.000 1.048 22 V CA 1.228 63.385 62.300 -0.238 0.000 1.049 22 V CB -0.596 31.096 31.823 -0.220 0.000 0.672 22 V HN 0.423 nan 8.190 nan 0.000 0.457 23 I N 0.628 121.036 120.570 -0.270 0.000 2.127 23 I HA -0.266 3.904 4.170 -0.001 0.000 0.241 23 I C 2.704 178.698 176.117 -0.206 0.000 1.075 23 I CA 1.648 62.809 61.300 -0.233 0.000 1.334 23 I CB -0.613 37.387 38.000 -0.000 0.000 1.040 23 I HN 0.285 nan 8.210 nan 0.000 0.405 24 A N 0.008 122.739 122.820 -0.149 0.000 1.908 24 A HA -0.333 3.987 4.320 -0.001 0.000 0.218 24 A C 2.185 179.692 177.584 -0.128 0.000 1.181 24 A CA 2.312 54.270 52.037 -0.130 0.000 0.627 24 A CB -1.100 17.822 19.000 -0.130 0.000 0.818 24 A HN 0.549 nan 8.150 nan 0.000 0.445 25 H N -0.879 118.064 119.070 -0.212 0.000 2.319 25 H HA -0.089 4.467 4.556 -0.001 0.000 0.299 25 H C 1.838 177.041 175.328 -0.209 0.000 1.092 25 H CA 2.314 58.244 56.048 -0.196 0.000 1.302 25 H CB -0.071 29.567 29.762 -0.206 0.000 1.373 25 H HN 0.331 nan 8.280 nan 0.000 0.497 26 M N -0.641 118.785 119.600 -0.289 0.000 2.506 26 M HA 0.081 4.561 4.480 -0.001 0.000 0.260 26 M C 0.322 176.534 176.300 -0.147 0.000 1.104 26 M CA 0.323 55.466 55.300 -0.263 0.000 1.112 26 M CB -0.342 31.977 32.600 -0.468 0.000 1.401 26 M HN 0.281 nan 8.290 nan 0.000 0.473 27 C N 2.263 121.435 119.300 -0.213 0.000 3.003 27 C HA 0.302 4.761 4.460 -0.001 0.000 0.241 27 C C -1.018 173.863 174.990 -0.181 0.000 1.224 27 C CA -1.064 57.791 59.018 -0.272 0.000 1.560 27 C CB 0.165 27.657 27.740 -0.412 0.000 1.768 27 C HN 0.244 nan 8.230 nan 0.000 0.440 28 P HA -0.164 nan 4.420 nan 0.000 0.222 28 P C 1.299 178.558 177.300 -0.068 0.000 1.147 28 P CA 1.583 64.625 63.100 -0.096 0.000 0.790 28 P CB 0.218 31.870 31.700 -0.079 0.000 0.780 29 E N 0.291 120.450 120.200 -0.068 0.000 2.502 29 E HA 0.010 4.360 4.350 -0.001 0.000 0.194 29 E C 0.334 176.898 176.600 -0.061 0.000 1.062 29 E CA 0.017 56.389 56.400 -0.047 0.000 0.867 29 E CB -0.381 29.306 29.700 -0.022 0.000 0.888 29 E HN 0.312 nan 8.360 nan 0.000 0.510 30 I N 1.571 122.091 120.570 -0.083 0.000 2.404 30 I HA 0.326 4.496 4.170 -0.001 0.000 0.293 30 I C 0.291 176.386 176.117 -0.037 0.000 0.992 30 I CA -1.000 60.257 61.300 -0.073 0.000 1.149 30 I CB 1.864 39.802 38.000 -0.104 0.000 1.315 30 I HN -0.149 nan 8.210 nan 0.000 0.446 31 R N 5.697 126.190 120.500 -0.012 0.000 2.234 31 R HA 0.541 4.881 4.340 -0.001 0.000 0.324 31 R C -1.474 174.840 176.300 0.023 0.000 1.054 31 R CA -0.351 55.773 56.100 0.039 0.000 0.912 31 R CB 1.000 31.316 30.300 0.028 0.000 1.030 31 R HN 0.477 nan 8.270 nan 0.000 0.455 32 V N 4.217 124.154 119.914 0.040 0.000 2.378 32 V HA 0.315 4.434 4.120 -0.001 0.000 0.288 32 V C -0.316 175.764 176.094 -0.022 0.000 1.016 32 V CA -0.647 61.642 62.300 -0.019 0.000 0.840 32 V CB 1.827 33.604 31.823 -0.076 0.000 0.994 32 V HN 0.786 nan 8.190 nan 0.000 0.431 33 T N 4.397 118.925 114.554 -0.042 0.000 2.786 33 T HA 0.537 4.887 4.350 -0.001 0.000 0.283 33 T C -0.302 174.321 174.700 -0.129 0.000 0.992 33 T CA -0.409 61.651 62.100 -0.065 0.000 0.954 33 T CB 1.590 70.440 68.868 -0.029 0.000 0.934 33 T HN 0.344 nan 8.240 nan 0.000 0.440 34 V N 4.622 124.376 119.914 -0.266 0.000 2.394 34 V HA 0.677 4.796 4.120 -0.001 0.000 0.282 34 V C 0.327 176.386 176.094 -0.059 0.000 1.031 34 V CA -0.740 61.426 62.300 -0.223 0.000 0.881 34 V CB 1.034 32.583 31.823 -0.457 0.000 0.982 34 V HN 0.794 nan 8.190 nan 0.000 0.451 35 V N 0.928 120.844 119.914 0.004 0.000 3.001 35 V HA 0.886 5.006 4.120 -0.001 0.000 0.314 35 V C -1.049 175.090 176.094 0.075 0.000 1.099 35 V CA -0.514 61.818 62.300 0.055 0.000 0.989 35 V CB 2.353 34.201 31.823 0.042 0.000 1.040 35 V HN 0.841 nan 8.190 nan 0.000 0.434 36 D N 0.048 120.503 120.400 0.092 0.000 2.663 36 D HA 0.289 4.929 4.640 -0.001 0.000 0.233 36 D C 0.413 176.765 176.300 0.087 0.000 1.240 36 D CA 0.165 54.222 54.000 0.095 0.000 0.774 36 D CB 2.640 43.516 40.800 0.127 0.000 1.443 36 D HN 0.775 nan 8.370 nan 0.000 0.441 37 V N 0.441 120.402 119.914 0.078 0.000 3.041 37 V HA 0.105 4.225 4.120 -0.001 0.000 0.260 37 V C 0.891 177.026 176.094 0.069 0.000 1.105 37 V CA 0.570 62.914 62.300 0.073 0.000 1.125 37 V CB -0.504 31.365 31.823 0.076 0.000 0.730 37 V HN 0.374 nan 8.190 nan 0.000 0.479 38 N N 1.880 120.623 118.700 0.073 0.000 2.448 38 N HA 0.050 4.790 4.740 -0.001 0.000 0.250 38 N C 0.979 176.534 175.510 0.075 0.000 1.136 38 N CA 0.359 53.449 53.050 0.066 0.000 0.953 38 N CB 0.820 39.344 38.487 0.062 0.000 1.251 38 N HN 0.614 nan 8.380 nan 0.000 0.502 39 E N 1.960 122.196 120.200 0.061 0.000 2.110 39 E HA -0.191 4.158 4.350 -0.001 0.000 0.193 39 E C 1.259 177.890 176.600 0.052 0.000 0.988 39 E CA 1.319 57.756 56.400 0.062 0.000 0.804 39 E CB 0.218 29.947 29.700 0.048 0.000 0.745 39 E HN 0.729 nan 8.360 nan 0.000 0.458 40 S N 0.498 116.216 115.700 0.031 0.000 2.382 40 S HA -0.213 4.257 4.470 -0.001 0.000 0.228 40 S C 2.076 176.670 174.600 -0.009 0.000 1.027 40 S CA 1.148 59.352 58.200 0.007 0.000 0.991 40 S CB -0.345 62.852 63.200 -0.006 0.000 0.823 40 S HN 0.234 nan 8.310 nan 0.000 0.469 41 R N 0.731 121.239 120.500 0.013 0.000 2.066 41 R HA 0.020 4.360 4.340 -0.001 0.000 0.232 41 R C 2.162 178.526 176.300 0.106 0.000 1.131 41 R CA 1.523 57.625 56.100 0.003 0.000 0.955 41 R CB -0.351 29.989 30.300 0.066 0.000 0.851 41 R HN 0.365 nan 8.270 nan 0.000 0.432 42 I N 1.921 122.606 120.570 0.191 0.000 2.226 42 I HA -0.262 3.907 4.170 -0.001 0.000 0.245 42 I C 1.627 177.837 176.117 0.155 0.000 1.100 42 I CA 1.360 62.815 61.300 0.258 0.000 1.374 42 I CB -1.379 36.748 38.000 0.212 0.000 1.057 42 I HN 0.276 nan 8.210 nan 0.000 0.413 43 N N 1.341 120.088 118.700 0.078 0.000 2.104 43 N HA -0.130 4.609 4.740 -0.001 0.000 0.190 43 N C 1.924 177.420 175.510 -0.024 0.000 1.024 43 N CA 1.676 54.746 53.050 0.034 0.000 0.853 43 N CB -0.328 38.169 38.487 0.018 0.000 1.008 43 N HN 0.370 nan 8.380 nan 0.000 0.424 44 A N 0.071 122.838 122.820 -0.089 0.000 1.902 44 A HA -0.114 4.206 4.320 -0.001 0.000 0.217 44 A C 2.086 179.506 177.584 -0.273 0.000 1.181 44 A CA 1.028 52.948 52.037 -0.195 0.000 0.623 44 A CB -1.162 17.672 19.000 -0.276 0.000 0.818 44 A HN 0.428 nan 8.150 nan 0.000 0.443 45 W N 0.368 121.473 121.300 -0.325 0.000 2.350 45 W HA -0.123 4.537 4.660 -0.001 0.000 0.289 45 W C 1.459 177.636 176.519 -0.570 0.000 1.215 45 W CA 0.993 57.938 57.345 -0.667 0.000 1.236 45 W CB -0.102 28.599 29.460 -1.266 0.000 1.130 45 W HN 0.293 nan 8.180 nan 0.000 0.541 46 N N -0.025 118.634 118.700 -0.069 0.000 2.370 46 N HA -0.004 4.735 4.740 -0.001 0.000 0.198 46 N C 0.219 175.728 175.510 -0.002 0.000 1.156 46 N CA 0.715 53.776 53.050 0.019 0.000 0.839 46 N CB -0.020 38.527 38.487 0.100 0.000 0.989 46 N HN 0.039 nan 8.380 nan 0.000 0.468 47 S N -0.728 114.942 115.700 -0.050 0.000 2.726 47 S HA 0.573 5.043 4.470 -0.001 0.000 0.308 47 S C -2.075 172.493 174.600 -0.054 0.000 1.115 47 S CA -1.131 57.041 58.200 -0.046 0.000 0.965 47 S CB 2.122 65.284 63.200 -0.063 0.000 1.145 47 S HN -0.243 nan 8.310 nan 0.000 0.532 48 P HA 0.150 nan 4.420 nan 0.000 0.230 48 P C -0.173 177.092 177.300 -0.058 0.000 1.158 48 P CA 0.803 63.880 63.100 -0.039 0.000 0.769 48 P CB -0.105 31.578 31.700 -0.027 0.000 0.807 49 T N 1.109 115.612 114.554 -0.085 0.000 2.893 49 T HA 0.351 4.701 4.350 -0.001 0.000 0.324 49 T C 0.161 174.747 174.700 -0.190 0.000 1.082 49 T CA -0.550 61.484 62.100 -0.109 0.000 0.983 49 T CB 0.242 69.055 68.868 -0.092 0.000 1.005 49 T HN -0.135 nan 8.240 nan 0.000 0.475 50 L N 4.743 125.822 121.223 -0.240 0.000 2.473 50 L HA 0.234 4.573 4.340 -0.001 0.000 0.268 50 L C -0.672 175.881 176.870 -0.528 0.000 1.215 50 L CA -1.702 52.860 54.840 -0.464 0.000 0.823 50 L CB 0.508 42.281 42.059 -0.478 0.000 1.099 50 L HN 0.349 nan 8.230 nan 0.000 0.483 51 P HA 0.011 nan 4.420 nan 0.000 0.233 51 P C -0.149 176.865 177.300 -0.477 0.000 1.167 51 P CA 0.961 63.700 63.100 -0.601 0.000 0.770 51 P CB 0.083 31.350 31.700 -0.722 0.000 0.837 52 I N -4.988 115.250 120.570 -0.553 0.000 2.828 52 I HA 0.542 4.711 4.170 -0.001 0.000 0.302 52 I C -1.335 174.704 176.117 -0.130 0.000 1.101 52 I CA -1.850 59.234 61.300 -0.361 0.000 1.031 52 I CB 2.216 39.793 38.000 -0.705 0.000 1.231 52 I HN -0.351 nan 8.210 nan 0.000 0.427 53 Y N 3.161 123.438 120.300 -0.039 0.000 2.353 53 Y HA 0.666 5.216 4.550 -0.001 0.000 0.340 53 Y C -0.833 175.120 175.900 0.088 0.000 0.972 53 Y CA -0.248 57.863 58.100 0.019 0.000 1.157 53 Y CB 1.066 39.562 38.460 0.060 0.000 1.157 53 Y HN 0.741 nan 8.280 nan 0.000 0.495 54 E N 8.162 127.934 120.200 -0.714 0.000 2.294 54 E HA 0.443 4.793 4.350 -0.001 0.000 0.272 54 E C -3.045 173.200 176.600 -0.592 0.000 0.896 54 E CA -2.722 53.372 56.400 -0.509 0.000 0.802 54 E CB 1.655 31.273 29.700 -0.138 0.000 1.267 54 E HN 0.339 nan 8.360 nan 0.000 0.406 55 P HA 0.152 nan 4.420 nan 0.000 0.262 55 P C 0.673 177.890 177.300 -0.140 0.000 1.182 55 P CA 1.405 64.345 63.100 -0.267 0.000 0.761 55 P CB 0.733 32.366 31.700 -0.112 0.000 0.795 56 G N 2.178 110.928 108.800 -0.083 0.000 2.245 56 G HA2 -0.350 3.609 3.960 -0.001 0.000 0.264 56 G HA3 -0.350 3.609 3.960 -0.001 0.000 0.264 56 G C 0.750 175.611 174.900 -0.065 0.000 0.985 56 G CA 0.412 45.476 45.100 -0.061 0.000 0.625 56 G HN 0.562 nan 8.290 nan 0.000 0.536 57 L N 1.137 122.320 121.223 -0.068 0.000 2.056 57 L HA 0.259 4.599 4.340 -0.001 0.000 0.207 57 L C 2.587 179.462 176.870 0.008 0.000 1.078 57 L CA 3.134 57.962 54.840 -0.020 0.000 0.749 57 L CB -0.570 41.492 42.059 0.005 0.000 0.901 57 L HN 0.389 nan 8.230 nan 0.000 0.433 58 K N -0.604 119.794 120.400 -0.003 0.000 2.103 58 K HA -0.239 4.081 4.320 -0.001 0.000 0.207 58 K C 1.876 178.481 176.600 0.008 0.000 1.048 58 K CA 1.870 58.164 56.287 0.012 0.000 0.930 58 K CB 0.003 32.508 32.500 0.008 0.000 0.716 58 K HN 0.361 nan 8.250 nan 0.000 0.444 59 E N -0.006 120.186 120.200 -0.013 0.000 2.106 59 E HA -0.134 4.216 4.350 -0.001 0.000 0.192 59 E C 1.896 178.468 176.600 -0.048 0.000 0.984 59 E CA 1.188 57.573 56.400 -0.025 0.000 0.806 59 E CB -0.012 29.666 29.700 -0.036 0.000 0.750 59 E HN 0.072 nan 8.360 nan 0.000 0.458 60 V N 0.177 120.038 119.914 -0.089 0.000 2.307 60 V HA -0.219 3.900 4.120 -0.001 0.000 0.245 60 V C 2.213 178.295 176.094 -0.020 0.000 1.045 60 V CA 1.302 63.515 62.300 -0.146 0.000 1.024 60 V CB -0.468 31.237 31.823 -0.197 0.000 0.651 60 V HN 0.135 nan 8.190 nan 0.000 0.449 61 V N 0.046 119.982 119.914 0.038 0.000 2.295 61 V HA -0.274 3.846 4.120 -0.001 0.000 0.246 61 V C 2.414 178.553 176.094 0.074 0.000 1.049 61 V CA 2.151 64.515 62.300 0.108 0.000 1.024 61 V CB -0.666 31.274 31.823 0.195 0.000 0.648 61 V HN 0.617 nan 8.190 nan 0.000 0.447 62 E N 0.473 120.701 120.200 0.047 0.000 2.268 62 E HA -0.152 4.198 4.350 -0.001 0.000 0.195 62 E C 2.291 178.904 176.600 0.023 0.000 0.995 62 E CA 1.301 57.719 56.400 0.030 0.000 0.836 62 E CB -0.179 29.533 29.700 0.021 0.000 0.763 62 E HN 0.761 nan 8.360 nan 0.000 0.491 63 S N -0.542 115.180 115.700 0.036 0.000 2.447 63 S HA -0.095 4.375 4.470 -0.001 0.000 0.233 63 S C 1.928 176.543 174.600 0.025 0.000 1.006 63 S CA 0.717 58.950 58.200 0.055 0.000 0.957 63 S CB -0.003 63.284 63.200 0.145 0.000 0.773 63 S HN 0.269 nan 8.310 nan 0.000 0.507 64 C N -0.015 119.286 119.300 0.003 0.000 3.294 64 C HA 0.458 4.918 4.460 -0.001 0.000 0.441 64 C C 1.144 176.045 174.990 -0.148 0.000 1.364 64 C CA -0.876 58.105 59.018 -0.062 0.000 2.059 64 C CB -0.704 27.001 27.740 -0.057 0.000 2.925 64 C HN 0.553 nan 8.230 nan 0.000 0.633 65 R N 1.093 121.532 120.500 -0.102 0.000 2.484 65 R HA 0.369 4.709 4.340 -0.001 0.000 0.293 65 R C 1.268 177.413 176.300 -0.260 0.000 1.023 65 R CA 1.493 57.498 56.100 -0.159 0.000 1.037 65 R CB -0.092 30.229 30.300 0.034 0.000 0.951 65 R HN 0.642 nan 8.270 nan 0.000 0.418 66 G N 3.053 111.500 108.800 -0.587 0.000 2.176 66 G HA2 -0.324 3.636 3.960 -0.001 0.000 0.253 66 G HA3 -0.324 3.636 3.960 -0.001 0.000 0.253 66 G C 0.621 175.344 174.900 -0.295 0.000 0.979 66 G CA 0.611 45.447 45.100 -0.440 0.000 0.641 66 G HN 0.650 nan 8.290 nan 0.000 0.530 67 K N 0.162 120.355 120.400 -0.344 0.000 2.274 67 K HA 0.106 4.426 4.320 -0.001 0.000 0.219 67 K C 1.705 178.280 176.600 -0.042 0.000 1.058 67 K CA 0.780 57.002 56.287 -0.108 0.000 0.920 67 K CB -0.001 32.445 32.500 -0.090 0.000 1.124 67 K HN 0.328 nan 8.250 nan 0.000 0.464 68 N N 0.593 119.207 118.700 -0.144 0.000 2.143 68 N HA 0.054 4.794 4.740 -0.001 0.000 0.229 68 N C -0.800 174.647 175.510 -0.106 0.000 1.294 68 N CA -0.288 52.765 53.050 0.004 0.000 0.883 68 N CB 0.463 38.945 38.487 -0.009 0.000 1.148 68 N HN 0.106 nan 8.380 nan 0.000 0.511 69 L N 0.739 121.694 121.223 -0.446 0.000 2.356 69 L HA 0.699 5.039 4.340 -0.001 0.000 0.277 69 L C -1.839 174.516 176.870 -0.858 0.000 0.996 69 L CA -0.621 53.941 54.840 -0.463 0.000 0.822 69 L CB 1.033 42.888 42.059 -0.340 0.000 1.256 69 L HN -0.045 nan 8.230 nan 0.000 0.413 70 F N 4.410 124.152 119.950 -0.348 0.000 2.588 70 F HA 0.608 5.135 4.527 -0.001 0.000 0.310 70 F C -0.900 174.603 175.800 -0.496 0.000 1.082 70 F CA -0.418 57.433 58.000 -0.248 0.000 0.929 70 F CB 1.958 40.888 39.000 -0.118 0.000 1.254 70 F HN 0.188 nan 8.300 nan 0.000 0.455 71 F N 1.316 121.339 119.950 0.122 0.000 2.493 71 F HA 0.654 5.181 4.527 -0.001 0.000 0.329 71 F C 0.069 175.928 175.800 0.098 0.000 1.126 71 F CA -0.634 57.398 58.000 0.053 0.000 0.937 71 F CB 2.121 41.148 39.000 0.044 0.000 1.146 71 F HN 0.377 nan 8.300 nan 0.000 0.442 72 S N 0.217 116.045 115.700 0.212 0.000 2.550 72 S HA 0.410 4.880 4.470 -0.001 0.000 0.270 72 S C 0.352 175.022 174.600 0.116 0.000 1.145 72 S CA -0.187 58.101 58.200 0.147 0.000 0.852 72 S CB 1.428 64.683 63.200 0.093 0.000 1.119 72 S HN 0.736 nan 8.310 nan 0.000 0.465 73 T N 0.150 114.762 114.554 0.097 0.000 3.081 73 T HA 0.174 4.524 4.350 -0.001 0.000 0.250 73 T C 0.595 175.329 174.700 0.056 0.000 1.100 73 T CA 0.101 62.247 62.100 0.078 0.000 1.038 73 T CB -0.455 68.456 68.868 0.072 0.000 0.962 73 T HN 0.417 nan 8.240 nan 0.000 0.516 74 N N 1.563 120.290 118.700 0.045 0.000 2.739 74 N HA 0.233 4.973 4.740 -0.001 0.000 0.266 74 N C 0.727 176.249 175.510 0.021 0.000 1.168 74 N CA -0.420 52.646 53.050 0.027 0.000 1.055 74 N CB -0.543 37.952 38.487 0.013 0.000 1.393 74 N HN 0.430 nan 8.380 nan 0.000 0.514 75 I N 0.676 121.263 120.570 0.029 0.000 2.252 75 I HA -0.225 3.944 4.170 -0.001 0.000 0.245 75 I C 1.469 177.595 176.117 0.014 0.000 1.102 75 I CA 0.804 62.121 61.300 0.028 0.000 1.385 75 I CB 0.057 38.081 38.000 0.040 0.000 1.064 75 I HN 0.311 nan 8.210 nan 0.000 0.414 76 D N 0.917 121.324 120.400 0.012 0.000 2.097 76 D HA -0.188 4.452 4.640 -0.001 0.000 0.195 76 D C 1.727 178.021 176.300 -0.010 0.000 0.989 76 D CA 1.401 55.403 54.000 0.003 0.000 0.827 76 D CB -0.337 40.466 40.800 0.004 0.000 0.966 76 D HN 0.309 nan 8.370 nan 0.000 0.456 77 D N 0.353 120.745 120.400 -0.013 0.000 2.149 77 D HA -0.022 4.617 4.640 -0.001 0.000 0.201 77 D C 2.034 178.312 176.300 -0.036 0.000 0.972 77 D CA 0.891 54.875 54.000 -0.027 0.000 0.835 77 D CB -0.211 40.570 40.800 -0.031 0.000 0.966 77 D HN 0.101 nan 8.370 nan 0.000 0.476 78 A N 0.797 123.599 122.820 -0.031 0.000 1.877 78 A HA -0.148 4.171 4.320 -0.001 0.000 0.216 78 A C 2.351 179.915 177.584 -0.032 0.000 1.186 78 A CA 0.932 52.949 52.037 -0.035 0.000 0.620 78 A CB -0.701 18.287 19.000 -0.021 0.000 0.822 78 A HN 0.181 nan 8.150 nan 0.000 0.443 79 I N -0.625 119.930 120.570 -0.024 0.000 2.142 79 I HA -0.290 3.880 4.170 -0.001 0.000 0.240 79 I C 2.524 178.615 176.117 -0.044 0.000 1.078 79 I CA 1.746 63.027 61.300 -0.031 0.000 1.343 79 I CB -0.373 37.614 38.000 -0.022 0.000 1.046 79 I HN 0.290 nan 8.210 nan 0.000 0.405 80 K N 0.652 121.030 120.400 -0.038 0.000 2.059 80 K HA -0.243 4.077 4.320 -0.001 0.000 0.212 80 K C 1.922 178.499 176.600 -0.038 0.000 1.050 80 K CA 1.839 58.102 56.287 -0.039 0.000 0.927 80 K CB -0.172 32.309 32.500 -0.032 0.000 0.714 80 K HN 0.404 nan 8.250 nan 0.000 0.447 81 E N 0.061 120.238 120.200 -0.038 0.000 2.358 81 E HA 0.021 4.370 4.350 -0.001 0.000 0.195 81 E C 0.118 176.701 176.600 -0.029 0.000 1.010 81 E CA -0.173 56.206 56.400 -0.036 0.000 0.856 81 E CB 0.280 29.950 29.700 -0.050 0.000 0.795 81 E HN 0.240 nan 8.360 nan 0.000 0.504 82 A N 1.428 124.227 122.820 -0.036 0.000 2.425 82 A HA 0.020 4.339 4.320 -0.001 0.000 0.249 82 A C 0.445 178.019 177.584 -0.018 0.000 1.084 82 A CA -0.303 51.712 52.037 -0.036 0.000 0.781 82 A CB 0.438 19.405 19.000 -0.055 0.000 1.019 82 A HN -0.028 nan 8.150 nan 0.000 0.490 83 D N 0.396 120.807 120.400 0.019 0.000 2.183 83 D HA 0.063 4.702 4.640 -0.001 0.000 0.205 83 D C 0.220 176.516 176.300 -0.005 0.000 0.962 83 D CA 1.117 55.182 54.000 0.108 0.000 0.849 83 D CB 0.165 41.113 40.800 0.246 0.000 0.978 83 D HN 0.438 nan 8.370 nan 0.000 0.488 84 L N 0.804 121.982 121.223 -0.075 0.000 2.410 84 L HA 0.375 4.715 4.340 -0.001 0.000 0.270 84 L C -1.517 175.209 176.870 -0.239 0.000 0.983 84 L CA -0.578 54.143 54.840 -0.198 0.000 0.822 84 L CB 2.412 44.315 42.059 -0.261 0.000 1.285 84 L HN -0.364 nan 8.230 nan 0.000 0.409 85 V N 4.921 124.690 119.914 -0.242 0.000 2.378 85 V HA 0.394 4.513 4.120 -0.001 0.000 0.288 85 V C -0.450 175.552 176.094 -0.152 0.000 1.016 85 V CA -0.387 61.824 62.300 -0.148 0.000 0.840 85 V CB 1.136 32.922 31.823 -0.062 0.000 0.994 85 V HN 0.475 nan 8.190 nan 0.000 0.431 86 F N 4.611 124.569 119.950 0.013 0.000 2.427 86 F HA 0.477 5.004 4.527 -0.001 0.000 0.352 86 F C 0.572 176.391 175.800 0.032 0.000 1.100 86 F CA -0.567 57.448 58.000 0.025 0.000 1.191 86 F CB 0.871 39.884 39.000 0.021 0.000 1.128 86 F HN 0.288 nan 8.300 nan 0.000 0.533 87 I N 3.049 123.774 120.570 0.258 0.000 2.291 87 I HA 0.168 4.338 4.170 -0.001 0.000 0.290 87 I C 0.095 176.299 176.117 0.144 0.000 1.050 87 I CA 0.153 61.554 61.300 0.169 0.000 1.245 87 I CB 0.551 38.630 38.000 0.133 0.000 1.405 87 I HN 0.514 nan 8.210 nan 0.000 0.478 88 S N 4.999 120.763 115.700 0.106 0.000 2.751 88 S HA 0.160 4.630 4.470 -0.001 0.000 0.247 88 S C 0.074 174.701 174.600 0.046 0.000 1.103 88 S CA -0.550 57.681 58.200 0.052 0.000 1.090 88 S CB 0.272 63.475 63.200 0.005 0.000 0.928 88 S HN 0.486 nan 8.310 nan 0.000 0.502 89 V N 0.708 120.657 119.914 0.059 0.000 3.036 89 V HA 0.547 4.666 4.120 -0.001 0.000 0.308 89 V C 0.153 176.259 176.094 0.020 0.000 1.070 89 V CA -1.252 61.069 62.300 0.034 0.000 1.056 89 V CB 0.490 32.357 31.823 0.074 0.000 1.084 89 V HN 0.522 nan 8.190 nan 0.000 0.471 90 N N 1.408 120.075 118.700 -0.055 0.000 2.479 90 N HA 0.161 4.901 4.740 -0.001 0.000 0.257 90 N C 0.065 175.622 175.510 0.078 0.000 1.232 90 N CA 0.321 53.350 53.050 -0.035 0.000 0.920 90 N CB 0.838 39.251 38.487 -0.123 0.000 1.105 90 N HN 1.052 nan 8.380 nan 0.000 0.444 91 T N -3.055 111.547 114.554 0.081 0.000 3.504 91 T HA 0.317 4.666 4.350 -0.001 0.000 0.286 91 T C -2.695 172.052 174.700 0.079 0.000 1.530 91 T CA -1.395 60.770 62.100 0.109 0.000 1.652 91 T CB 0.647 69.557 68.868 0.071 0.000 0.895 91 T HN 0.387 nan 8.240 nan 0.000 0.674 92 P HA 0.237 nan 4.420 nan 0.000 0.274 92 P C 0.043 177.363 177.300 0.033 0.000 1.237 92 P CA -0.056 63.087 63.100 0.071 0.000 0.793 92 P CB 0.512 32.279 31.700 0.111 0.000 0.977 93 T N 1.977 116.535 114.554 0.007 0.000 2.934 93 T HA 0.027 4.377 4.350 -0.001 0.000 0.306 93 T C 0.597 175.251 174.700 -0.077 0.000 1.042 93 T CA 0.062 62.137 62.100 -0.043 0.000 1.145 93 T CB -0.155 68.698 68.868 -0.025 0.000 0.982 93 T HN 0.242 nan 8.240 nan 0.000 0.544 94 K N 2.407 122.691 120.400 -0.193 0.000 2.447 94 K HA 0.060 4.379 4.320 -0.001 0.000 0.281 94 K C 1.349 177.790 176.600 -0.266 0.000 1.031 94 K CA 0.063 56.129 56.287 -0.368 0.000 1.019 94 K CB 0.324 32.470 32.500 -0.590 0.000 0.918 94 K HN 0.740 nan 8.250 nan 0.000 0.476 95 T N 0.184 114.646 114.554 -0.152 0.000 3.186 95 T HA 0.141 4.490 4.350 -0.001 0.000 0.257 95 T C -0.367 174.405 174.700 0.120 0.000 1.029 95 T CA -0.372 61.748 62.100 0.033 0.000 0.916 95 T CB -0.529 68.424 68.868 0.142 0.000 1.041 95 T HN 0.577 nan 8.240 nan 0.000 0.562 96 Y N -2.882 117.408 120.300 -0.015 0.000 2.677 96 Y HA 0.649 5.198 4.550 -0.000 0.000 0.334 96 Y C 0.504 176.391 175.900 -0.021 0.000 1.196 96 Y CA -1.233 56.859 58.100 -0.014 0.000 1.059 96 Y CB 0.681 39.133 38.460 -0.013 0.000 1.315 96 Y HN 0.375 nan 8.280 nan 0.000 0.455 97 G N 1.517 110.398 108.800 0.135 0.000 2.601 97 G HA2 -0.181 3.779 3.960 -0.001 0.000 0.261 97 G HA3 -0.181 3.779 3.960 -0.001 0.000 0.261 97 G C -0.473 174.412 174.900 -0.025 0.000 1.289 97 G CA -0.238 44.912 45.100 0.082 0.000 0.920 97 G HN 0.810 nan 8.290 nan 0.000 0.571 98 M N 1.706 121.294 119.600 -0.021 0.000 2.269 98 M HA 0.353 4.832 4.480 -0.001 0.000 0.350 98 M C 1.689 177.928 176.300 -0.103 0.000 1.429 98 M CA 1.608 56.900 55.300 -0.013 0.000 1.063 98 M CB -0.595 32.021 32.600 0.026 0.000 1.841 98 M HN 2.470 nan 8.290 nan 0.000 0.455 99 G N 3.062 111.835 108.800 -0.045 0.000 2.160 99 G HA2 -0.282 3.678 3.960 -0.001 0.000 0.251 99 G HA3 -0.282 3.678 3.960 -0.001 0.000 0.251 99 G C 0.307 175.073 174.900 -0.223 0.000 1.008 99 G CA 0.580 45.577 45.100 -0.171 0.000 0.724 99 G HN 0.773 nan 8.290 nan 0.000 0.514 100 K N 0.162 120.476 120.400 -0.144 0.000 2.530 100 K HA 0.328 4.648 4.320 -0.001 0.000 0.280 100 K C 1.679 178.230 176.600 -0.081 0.000 1.004 100 K CA 1.294 57.501 56.287 -0.133 0.000 1.071 100 K CB -0.426 32.040 32.500 -0.057 0.000 0.876 100 K HN 1.555 nan 8.250 nan 0.000 0.487 101 G N 3.581 112.330 108.800 -0.085 0.000 2.184 101 G HA2 -0.302 3.657 3.960 -0.001 0.000 0.264 101 G HA3 -0.302 3.657 3.960 -0.001 0.000 0.264 101 G C 0.642 175.525 174.900 -0.029 0.000 0.975 101 G CA 0.691 45.771 45.100 -0.033 0.000 0.642 101 G HN 0.765 nan 8.290 nan 0.000 0.536 102 R N -0.572 119.877 120.500 -0.084 0.000 3.372 102 R HA 0.543 4.883 4.340 -0.001 0.000 0.150 102 R C 1.408 177.595 176.300 -0.187 0.000 0.739 102 R CA 0.258 56.324 56.100 -0.056 0.000 1.041 102 R CB -0.184 30.149 30.300 0.055 0.000 1.530 102 R HN 0.659 nan 8.270 nan 0.000 0.534 103 A N 1.878 124.395 122.820 -0.505 0.000 2.445 103 A HA 0.544 4.863 4.320 -0.001 0.000 0.242 103 A C 0.141 177.528 177.584 -0.328 0.000 1.075 103 A CA 0.076 51.690 52.037 -0.705 0.000 0.777 103 A CB 0.172 18.498 19.000 -1.122 0.000 1.013 103 A HN 0.421 nan 8.150 nan 0.000 0.493 104 A N 1.749 124.444 122.820 -0.210 0.000 2.440 104 A HA 0.409 4.729 4.320 -0.001 0.000 0.251 104 A C 0.126 177.637 177.584 -0.121 0.000 1.089 104 A CA -0.191 51.783 52.037 -0.106 0.000 0.779 104 A CB 0.043 19.022 19.000 -0.035 0.000 1.022 104 A HN 0.797 nan 8.150 nan 0.000 0.492 105 D N 2.264 122.620 120.400 -0.073 0.000 2.339 105 D HA 0.313 4.953 4.640 -0.001 0.000 0.241 105 D C 0.301 176.607 176.300 0.011 0.000 1.183 105 D CA 0.057 54.026 54.000 -0.051 0.000 0.859 105 D CB 0.589 41.389 40.800 -0.001 0.000 1.067 105 D HN 0.431 nan 8.370 nan 0.000 0.484 106 L N 4.222 125.436 121.223 -0.015 0.000 2.741 106 L HA 0.106 4.446 4.340 -0.001 0.000 0.237 106 L C 2.203 179.062 176.870 -0.019 0.000 1.178 106 L CA -0.212 54.634 54.840 0.010 0.000 0.973 106 L CB 0.050 42.111 42.059 0.003 0.000 1.255 106 L HN 0.364 nan 8.230 nan 0.000 0.498 107 K N -0.296 120.040 120.400 -0.107 0.000 2.097 107 K HA -0.191 4.128 4.320 -0.001 0.000 0.206 107 K C 1.512 177.996 176.600 -0.193 0.000 1.049 107 K CA 1.533 57.703 56.287 -0.195 0.000 0.933 107 K CB -0.386 31.928 32.500 -0.310 0.000 0.717 107 K HN 0.156 nan 8.250 nan 0.000 0.442 108 Y N 1.727 122.057 120.300 0.049 0.000 2.220 108 Y HA -0.053 4.497 4.550 -0.001 0.000 0.291 108 Y C 2.386 178.313 175.900 0.046 0.000 1.129 108 Y CA 0.429 58.559 58.100 0.049 0.000 1.161 108 Y CB -0.246 38.246 38.460 0.053 0.000 0.997 108 Y HN -0.052 nan 8.280 nan 0.000 0.522 109 I N 0.405 121.081 120.570 0.177 0.000 2.163 109 I HA -0.292 3.878 4.170 -0.001 0.000 0.243 109 I C 2.393 178.551 176.117 0.068 0.000 1.085 109 I CA 1.924 63.289 61.300 0.108 0.000 1.347 109 I CB -1.158 36.886 38.000 0.073 0.000 1.044 109 I HN 0.292 nan 8.210 nan 0.000 0.408 110 E N 1.472 121.696 120.200 0.040 0.000 2.051 110 E HA -0.180 4.170 4.350 -0.001 0.000 0.192 110 E C 2.250 178.875 176.600 0.041 0.000 0.991 110 E CA 1.717 58.128 56.400 0.018 0.000 0.799 110 E CB -0.140 29.559 29.700 -0.002 0.000 0.748 110 E HN 0.380 nan 8.360 nan 0.000 0.449 111 A N 0.171 123.023 122.820 0.053 0.000 1.940 111 A HA -0.228 4.092 4.320 -0.001 0.000 0.219 111 A C 2.519 180.159 177.584 0.093 0.000 1.176 111 A CA 1.583 53.662 52.037 0.071 0.000 0.631 111 A CB -1.067 17.984 19.000 0.087 0.000 0.814 111 A HN 0.557 nan 8.150 nan 0.000 0.446 112 C N -1.261 118.104 119.300 0.108 0.000 2.453 112 C HA 0.081 4.540 4.460 -0.001 0.000 0.277 112 C C 3.341 178.415 174.990 0.139 0.000 1.262 112 C CA 0.731 59.819 59.018 0.117 0.000 1.718 112 C CB -1.363 26.450 27.740 0.121 0.000 2.031 112 C HN 0.723 nan 8.230 nan 0.000 0.480 113 A N 0.837 123.732 122.820 0.124 0.000 1.892 113 A HA -0.207 4.112 4.320 -0.001 0.000 0.218 113 A C 2.256 179.993 177.584 0.256 0.000 1.188 113 A CA 1.628 53.770 52.037 0.175 0.000 0.631 113 A CB -0.481 18.495 19.000 -0.040 0.000 0.822 113 A HN 0.584 nan 8.150 nan 0.000 0.447 114 R N -0.869 119.717 120.500 0.143 0.000 2.081 114 R HA -0.100 4.239 4.340 -0.001 0.000 0.235 114 R C 2.345 178.709 176.300 0.106 0.000 1.131 114 R CA 1.683 57.855 56.100 0.120 0.000 0.960 114 R CB -0.619 29.725 30.300 0.074 0.000 0.856 114 R HN 0.636 nan 8.270 nan 0.000 0.436 115 R N 0.600 121.157 120.500 0.095 0.000 2.090 115 R HA 0.023 4.362 4.340 -0.001 0.000 0.228 115 R C 2.376 178.709 176.300 0.055 0.000 1.110 115 R CA 0.820 56.961 56.100 0.068 0.000 0.973 115 R CB -0.172 30.167 30.300 0.066 0.000 0.869 115 R HN 0.122 nan 8.270 nan 0.000 0.440 116 I N -0.509 120.111 120.570 0.083 0.000 2.099 116 I HA -0.302 3.868 4.170 -0.001 0.000 0.239 116 I C 2.300 178.380 176.117 -0.062 0.000 1.066 116 I CA 1.325 62.639 61.300 0.023 0.000 1.324 116 I CB -0.385 37.664 38.000 0.082 0.000 1.037 116 I HN 0.091 nan 8.210 nan 0.000 0.401 117 V N 0.403 120.303 119.914 -0.022 0.000 2.407 117 V HA -0.315 3.805 4.120 -0.001 0.000 0.248 117 V C 2.373 178.441 176.094 -0.044 0.000 1.055 117 V CA 1.941 64.182 62.300 -0.098 0.000 1.049 117 V CB -0.361 31.477 31.823 0.025 0.000 0.662 117 V HN 0.481 nan 8.190 nan 0.000 0.455 118 Q N -0.079 119.723 119.800 0.003 0.000 2.135 118 Q HA -0.154 4.185 4.340 -0.001 0.000 0.204 118 Q C 1.496 177.486 176.000 -0.016 0.000 0.981 118 Q CA 1.820 57.624 55.803 0.001 0.000 0.856 118 Q CB -0.146 28.603 28.738 0.018 0.000 0.902 118 Q HN 0.649 nan 8.270 nan 0.000 0.425 119 N N -0.403 118.281 118.700 -0.027 0.000 2.214 119 N HA 0.115 4.854 4.740 -0.001 0.000 0.214 119 N C -0.699 174.778 175.510 -0.056 0.000 1.132 119 N CA 0.091 53.121 53.050 -0.032 0.000 0.856 119 N CB 1.097 39.571 38.487 -0.021 0.000 1.020 119 N HN -0.064 nan 8.380 nan 0.000 0.509 120 S N 0.635 116.284 115.700 -0.084 0.000 2.472 120 S HA 0.470 4.940 4.470 -0.001 0.000 0.303 120 S C -0.409 174.133 174.600 -0.097 0.000 1.099 120 S CA -0.610 57.521 58.200 -0.115 0.000 1.077 120 S CB 1.595 64.676 63.200 -0.199 0.000 1.031 120 S HN 0.215 nan 8.310 nan 0.000 0.487 121 N N 0.175 118.828 118.700 -0.079 0.000 2.284 121 N HA 0.750 5.490 4.740 -0.001 0.000 0.289 121 N C 0.286 175.766 175.510 -0.049 0.000 1.179 121 N CA -0.117 52.898 53.050 -0.058 0.000 0.774 121 N CB 1.830 40.296 38.487 -0.035 0.000 1.548 121 N HN 0.812 nan 8.380 nan 0.000 0.473 122 G N 0.333 109.115 108.800 -0.031 0.000 2.539 122 G HA2 -0.311 3.649 3.960 -0.001 0.000 0.256 122 G HA3 -0.311 3.649 3.960 -0.001 0.000 0.256 122 G C -1.148 173.759 174.900 0.013 0.000 1.233 122 G CA -0.039 45.065 45.100 0.005 0.000 0.936 122 G HN 0.601 nan 8.290 nan 0.000 0.571 123 Y N 2.686 122.922 120.300 -0.107 0.000 2.320 123 Y HA 0.690 5.240 4.550 -0.001 0.000 0.334 123 Y C 0.432 176.229 175.900 -0.170 0.000 1.055 123 Y CA -0.204 57.797 58.100 -0.165 0.000 1.143 123 Y CB 0.911 39.238 38.460 -0.221 0.000 1.193 123 Y HN 0.593 nan 8.280 nan 0.000 0.477 124 K N 6.649 126.625 120.400 -0.707 0.000 2.508 124 K HA 0.487 4.807 4.320 -0.001 0.000 0.260 124 K C -1.660 174.468 176.600 -0.786 0.000 0.949 124 K CA -0.909 54.995 56.287 -0.638 0.000 0.834 124 K CB 2.539 34.832 32.500 -0.346 0.000 1.365 124 K HN 0.601 nan 8.250 nan 0.000 0.437 125 I N 2.187 122.420 120.570 -0.561 0.000 2.315 125 I HA 0.200 4.370 4.170 -0.001 0.000 0.291 125 I C -0.492 175.486 176.117 -0.233 0.000 1.006 125 I CA -0.986 60.089 61.300 -0.375 0.000 1.265 125 I CB 1.484 39.329 38.000 -0.258 0.000 1.387 125 I HN 0.126 nan 8.210 nan 0.000 0.475 126 V N 5.543 125.379 119.914 -0.130 0.000 2.350 126 V HA 0.330 4.449 4.120 -0.001 0.000 0.276 126 V C 0.101 176.196 176.094 0.001 0.000 1.028 126 V CA -0.317 61.971 62.300 -0.021 0.000 0.860 126 V CB 1.351 33.277 31.823 0.172 0.000 0.990 126 V HN 0.711 nan 8.190 nan 0.000 0.453 127 T N 4.428 118.969 114.554 -0.023 0.000 2.791 127 T HA 0.271 4.621 4.350 -0.001 0.000 0.288 127 T C -0.133 174.671 174.700 0.173 0.000 0.999 127 T CA -0.350 61.778 62.100 0.047 0.000 0.952 127 T CB 1.088 69.935 68.868 -0.034 0.000 0.938 127 T HN 0.771 nan 8.240 nan 0.000 0.444 128 E N 3.105 123.383 120.200 0.130 0.000 2.003 128 E HA 0.157 4.507 4.350 -0.001 0.000 0.279 128 E C 0.835 177.509 176.600 0.122 0.000 1.132 128 E CA -0.145 56.326 56.400 0.118 0.000 0.888 128 E CB 0.423 30.165 29.700 0.070 0.000 1.056 128 E HN 0.549 nan 8.360 nan 0.000 0.399 129 K N 2.281 122.764 120.400 0.139 0.000 2.276 129 K HA 0.095 4.414 4.320 -0.001 0.000 0.198 129 K C 0.201 176.797 176.600 -0.008 0.000 1.052 129 K CA 0.062 56.380 56.287 0.052 0.000 0.984 129 K CB 0.386 32.882 32.500 -0.007 0.000 0.836 129 K HN 0.314 nan 8.250 nan 0.000 0.490 130 S N 1.548 117.263 115.700 0.024 0.000 2.554 130 S HA -0.037 4.432 4.470 -0.001 0.000 0.290 130 S C -0.210 174.391 174.600 0.001 0.000 1.309 130 S CA 0.086 58.295 58.200 0.015 0.000 1.047 130 S CB 0.938 64.166 63.200 0.047 0.000 0.828 130 S HN 0.226 nan 8.310 nan 0.000 0.509 131 T N 3.319 117.867 114.554 -0.010 0.000 2.761 131 T HA 0.449 4.798 4.350 -0.001 0.000 0.296 131 T C 0.244 174.954 174.700 0.016 0.000 0.934 131 T CA -0.543 61.550 62.100 -0.011 0.000 1.091 131 T CB -0.110 68.747 68.868 -0.020 0.000 0.896 131 T HN 0.544 nan 8.240 nan 0.000 0.515 132 V N 2.087 122.016 119.914 0.026 0.000 3.074 132 V HA 0.777 4.897 4.120 -0.001 0.000 0.314 132 V C -2.901 173.221 176.094 0.047 0.000 1.117 132 V CA -3.287 59.038 62.300 0.041 0.000 1.014 132 V CB 1.468 33.323 31.823 0.053 0.000 1.057 132 V HN 0.435 nan 8.190 nan 0.000 0.438 133 P HA 0.204 nan 4.420 nan 0.000 0.270 133 P C -0.300 177.042 177.300 0.069 0.000 1.223 133 P CA -0.112 63.020 63.100 0.055 0.000 0.785 133 P CB 0.349 32.084 31.700 0.058 0.000 0.923 134 V N 4.833 124.785 119.914 0.064 0.000 2.599 134 V HA 0.012 4.131 4.120 -0.001 0.000 0.300 134 V C 1.405 177.510 176.094 0.018 0.000 1.034 134 V CA 0.435 62.788 62.300 0.090 0.000 1.115 134 V CB -0.594 31.265 31.823 0.060 0.000 0.934 134 V HN 0.661 nan 8.190 nan 0.000 0.485 135 R N 1.581 122.121 120.500 0.066 0.000 3.584 135 R HA -0.200 4.140 4.340 -0.001 0.000 0.488 135 R C 1.397 177.718 176.300 0.036 0.000 0.869 135 R CA 1.024 57.006 56.100 -0.196 0.000 1.325 135 R CB -2.203 27.837 30.300 -0.432 0.000 2.015 135 R HN 0.913 nan 8.270 nan 0.000 0.489 136 A N 0.903 123.790 122.820 0.112 0.000 1.978 136 A HA 0.054 4.374 4.320 -0.001 0.000 0.220 136 A C 2.296 179.948 177.584 0.113 0.000 1.170 136 A CA 2.143 54.230 52.037 0.084 0.000 0.636 136 A CB -0.362 18.680 19.000 0.071 0.000 0.810 136 A HN 0.532 nan 8.150 nan 0.000 0.448 137 A N -0.489 122.473 122.820 0.236 0.000 1.972 137 A HA -0.171 4.149 4.320 -0.001 0.000 0.219 137 A C 1.973 179.668 177.584 0.185 0.000 1.169 137 A CA 1.687 53.831 52.037 0.179 0.000 0.635 137 A CB -0.464 18.624 19.000 0.146 0.000 0.810 137 A HN 0.685 nan 8.150 nan 0.000 0.446 138 E N -0.003 120.384 120.200 0.312 0.000 2.110 138 E HA -0.137 4.213 4.350 -0.001 0.000 0.193 138 E C 2.016 178.638 176.600 0.038 0.000 0.988 138 E CA 1.255 57.774 56.400 0.199 0.000 0.804 138 E CB -0.039 29.702 29.700 0.069 0.000 0.745 138 E HN 0.596 nan 8.360 nan 0.000 0.458 139 S N 0.507 116.206 115.700 -0.001 0.000 2.368 139 S HA -0.112 4.357 4.470 -0.001 0.000 0.224 139 S C 1.943 176.464 174.600 -0.131 0.000 1.029 139 S CA 0.916 59.086 58.200 -0.051 0.000 0.988 139 S CB -0.174 63.002 63.200 -0.039 0.000 0.838 139 S HN 0.286 nan 8.310 nan 0.000 0.462 140 I N 1.369 121.825 120.570 -0.190 0.000 2.163 140 I HA -0.231 3.938 4.170 -0.001 0.000 0.243 140 I C 2.675 178.413 176.117 -0.631 0.000 1.085 140 I CA 1.301 62.319 61.300 -0.469 0.000 1.347 140 I CB -0.336 37.407 38.000 -0.429 0.000 1.044 140 I HN 0.176 nan 8.210 nan 0.000 0.408 141 R N 0.406 120.737 120.500 -0.281 0.000 2.091 141 R HA -0.168 4.171 4.340 -0.001 0.000 0.238 141 R C 2.471 178.747 176.300 -0.039 0.000 1.136 141 R CA 1.441 57.483 56.100 -0.097 0.000 0.959 141 R CB -0.306 30.013 30.300 0.032 0.000 0.856 141 R HN 0.347 nan 8.270 nan 0.000 0.437 142 R N 0.248 120.716 120.500 -0.053 0.000 2.075 142 R HA -0.065 4.275 4.340 -0.001 0.000 0.232 142 R C 2.307 178.604 176.300 -0.006 0.000 1.126 142 R CA 1.398 57.490 56.100 -0.013 0.000 0.963 142 R CB -0.341 29.950 30.300 -0.016 0.000 0.858 142 R HN 0.212 nan 8.270 nan 0.000 0.435 143 I N 0.021 120.550 120.570 -0.068 0.000 2.208 143 I HA -0.304 3.866 4.170 -0.001 0.000 0.245 143 I C 1.980 178.192 176.117 0.158 0.000 1.097 143 I CA 1.592 62.889 61.300 -0.006 0.000 1.363 143 I CB -0.288 37.669 38.000 -0.071 0.000 1.051 143 I HN 0.151 nan 8.210 nan 0.000 0.413 144 F N 0.712 120.668 119.950 0.010 0.000 2.113 144 F HA -0.220 4.307 4.527 -0.000 0.000 0.297 144 F C 2.375 178.177 175.800 0.003 0.000 1.103 144 F CA 0.420 58.420 58.000 0.001 0.000 1.248 144 F CB -0.323 38.673 39.000 -0.007 0.000 0.999 144 F HN 0.110 nan 8.300 nan 0.000 0.475 145 D N 0.673 121.194 120.400 0.201 0.000 2.144 145 D HA -0.145 4.495 4.640 -0.001 0.000 0.199 145 D C 2.175 178.525 176.300 0.082 0.000 0.984 145 D CA 1.267 55.335 54.000 0.113 0.000 0.834 145 D CB -0.421 40.428 40.800 0.081 0.000 0.955 145 D HN 0.210 nan 8.370 nan 0.000 0.465 146 A N 0.326 123.193 122.820 0.079 0.000 2.119 146 A HA -0.065 4.254 4.320 -0.001 0.000 0.217 146 A C 1.306 178.925 177.584 0.057 0.000 1.153 146 A CA 0.742 52.812 52.037 0.056 0.000 0.692 146 A CB -0.020 19.008 19.000 0.046 0.000 0.799 146 A HN 0.119 nan 8.150 nan 0.000 0.458 147 N N 0.051 118.798 118.700 0.078 0.000 2.467 147 N HA 0.063 4.803 4.740 -0.001 0.000 0.278 147 N C -0.314 175.221 175.510 0.042 0.000 1.306 147 N CA 0.060 53.147 53.050 0.061 0.000 0.905 147 N CB 0.641 39.175 38.487 0.078 0.000 1.236 147 N HN 0.247 nan 8.380 nan 0.000 0.509 148 T N 0.776 115.353 114.554 0.038 0.000 2.860 148 T HA 0.251 4.601 4.350 -0.001 0.000 0.299 148 T C 0.013 174.716 174.700 0.004 0.000 1.045 148 T CA 0.330 62.441 62.100 0.018 0.000 1.071 148 T CB 0.795 69.678 68.868 0.026 0.000 0.985 148 T HN 0.146 nan 8.240 nan 0.000 0.537 149 K N 2.919 123.314 120.400 -0.009 0.000 2.444 149 K HA 0.508 4.827 4.320 -0.001 0.000 0.252 149 K C -2.828 173.767 176.600 -0.009 0.000 0.993 149 K CA -2.199 54.082 56.287 -0.010 0.000 0.847 149 K CB 1.192 33.680 32.500 -0.019 0.000 1.340 149 K HN 0.298 nan 8.250 nan 0.000 0.446 150 P HA -0.006 nan 4.420 nan 0.000 0.261 150 P C -0.650 176.645 177.300 -0.008 0.000 1.183 150 P CA 0.397 63.494 63.100 -0.005 0.000 0.761 150 P CB 0.158 31.855 31.700 -0.004 0.000 0.785 151 N N -0.943 117.754 118.700 -0.005 0.000 2.828 151 N HA -0.194 4.546 4.740 -0.001 0.000 0.248 151 N C -0.163 175.342 175.510 -0.007 0.000 1.044 151 N CA 0.445 53.492 53.050 -0.004 0.000 0.851 151 N CB -1.397 37.088 38.487 -0.004 0.000 1.136 151 N HN 0.311 nan 8.380 nan 0.000 0.572 152 L N 2.060 123.271 121.223 -0.020 0.000 2.418 152 L HA 0.336 4.675 4.340 -0.001 0.000 0.274 152 L C 0.329 177.177 176.870 -0.036 0.000 1.135 152 L CA 0.268 55.081 54.840 -0.046 0.000 0.870 152 L CB 0.396 42.415 42.059 -0.066 0.000 1.154 152 L HN 0.114 nan 8.230 nan 0.000 0.462 153 N N 5.478 124.153 118.700 -0.042 0.000 2.690 153 N HA 0.280 5.020 4.740 -0.001 0.000 0.255 153 N C -1.754 173.671 175.510 -0.141 0.000 1.195 153 N CA -0.322 52.719 53.050 -0.016 0.000 0.790 153 N CB 0.309 38.860 38.487 0.106 0.000 1.216 153 N HN 0.593 nan 8.380 nan 0.000 0.528 154 L N 2.167 123.278 121.223 -0.185 0.000 2.255 154 L HA 0.425 4.764 4.340 -0.001 0.000 0.289 154 L C 0.187 176.992 176.870 -0.108 0.000 1.046 154 L CA -0.656 54.016 54.840 -0.280 0.000 0.816 154 L CB 1.125 42.865 42.059 -0.531 0.000 1.197 154 L HN 0.207 nan 8.230 nan 0.000 0.427 155 Q N 3.295 122.983 119.800 -0.188 0.000 2.274 155 Q HA 0.380 4.719 4.340 -0.001 0.000 0.256 155 Q C -0.596 175.387 176.000 -0.028 0.000 0.927 155 Q CA -0.428 55.325 55.803 -0.084 0.000 0.939 155 Q CB 2.706 31.371 28.738 -0.123 0.000 1.201 155 Q HN 0.338 nan 8.270 nan 0.000 0.426 156 V N 5.057 124.989 119.914 0.031 0.000 2.394 156 V HA 0.459 4.579 4.120 -0.001 0.000 0.282 156 V C 0.151 176.233 176.094 -0.021 0.000 1.031 156 V CA -0.452 61.871 62.300 0.039 0.000 0.881 156 V CB 1.186 33.044 31.823 0.058 0.000 0.982 156 V HN 0.571 nan 8.190 nan 0.000 0.451 157 L N 3.155 124.368 121.223 -0.016 0.000 2.323 157 L HA 0.642 4.981 4.340 -0.001 0.000 0.265 157 L C 0.080 176.946 176.870 -0.006 0.000 1.012 157 L CA -0.486 54.337 54.840 -0.027 0.000 0.820 157 L CB 2.277 44.334 42.059 -0.003 0.000 1.334 157 L HN 0.615 nan 8.230 nan 0.000 0.427 158 S N 1.412 117.097 115.700 -0.025 0.000 2.489 158 S HA 0.353 4.822 4.470 -0.001 0.000 0.291 158 S C -0.490 174.135 174.600 0.042 0.000 1.151 158 S CA -0.544 57.658 58.200 0.004 0.000 1.082 158 S CB 0.526 63.706 63.200 -0.034 0.000 1.019 158 S HN 0.746 nan 8.310 nan 0.000 0.492 159 N N 4.889 123.633 118.700 0.073 0.000 2.716 159 N HA 0.297 5.036 4.740 -0.001 0.000 0.245 159 N C -3.052 172.456 175.510 -0.004 0.000 1.495 159 N CA -1.396 51.710 53.050 0.093 0.000 0.759 159 N CB 0.993 39.637 38.487 0.262 0.000 1.261 159 N HN 0.343 nan 8.380 nan 0.000 0.515 160 P HA 0.048 nan 4.420 nan 0.000 0.270 160 P C -0.569 176.419 177.300 -0.519 0.000 1.223 160 P CA 0.222 63.135 63.100 -0.311 0.000 0.785 160 P CB 0.745 32.205 31.700 -0.400 0.000 0.923 161 E N 0.512 120.381 120.200 -0.553 0.000 2.191 161 E HA 0.418 4.768 4.350 -0.001 0.000 0.274 161 E C -1.048 175.147 176.600 -0.676 0.000 0.948 161 E CA -0.312 55.815 56.400 -0.456 0.000 0.802 161 E CB 0.374 29.950 29.700 -0.207 0.000 1.137 161 E HN 0.257 nan 8.360 nan 0.000 0.397 162 F N 2.609 122.552 119.950 -0.012 0.000 2.746 162 F HA 0.234 4.761 4.527 -0.001 0.000 0.320 162 F C 0.010 175.817 175.800 0.011 0.000 1.097 162 F CA -0.609 57.387 58.000 -0.006 0.000 1.195 162 F CB -0.108 38.874 39.000 -0.030 0.000 1.056 162 F HN 0.337 nan 8.300 nan 0.000 0.562 163 L N 0.624 121.929 121.223 0.137 0.000 2.506 163 L HA 0.561 4.900 4.340 -0.001 0.000 0.281 163 L C 0.073 177.003 176.870 0.101 0.000 1.228 163 L CA -0.765 54.142 54.840 0.112 0.000 0.850 163 L CB -0.233 41.880 42.059 0.089 0.000 1.110 163 L HN 0.035 nan 8.230 nan 0.000 0.496 164 A N 2.295 125.176 122.820 0.100 0.000 2.317 164 A HA 0.540 4.860 4.320 -0.001 0.000 0.327 164 A C -0.017 177.620 177.584 0.088 0.000 1.178 164 A CA -0.705 51.390 52.037 0.096 0.000 0.817 164 A CB 0.216 19.286 19.000 0.116 0.000 1.189 164 A HN 0.862 nan 8.150 nan 0.000 0.489 165 E N 0.183 120.448 120.200 0.109 0.000 2.404 165 E HA 0.359 4.708 4.350 -0.001 0.000 0.261 165 E C 1.263 177.873 176.600 0.016 0.000 1.074 165 E CA 1.096 57.561 56.400 0.108 0.000 0.917 165 E CB 0.428 30.229 29.700 0.169 0.000 0.965 165 E HN 1.283 nan 8.360 nan 0.000 0.433 166 G N 1.731 110.531 108.800 -0.001 0.000 2.347 166 G HA2 -0.347 3.613 3.960 -0.001 0.000 0.247 166 G HA3 -0.347 3.613 3.960 -0.001 0.000 0.247 166 G C 0.840 175.717 174.900 -0.039 0.000 1.037 166 G CA 0.778 45.844 45.100 -0.057 0.000 0.622 166 G HN 0.655 nan 8.290 nan 0.000 0.521 167 T N -2.570 111.982 114.554 -0.004 0.000 3.288 167 T HA 0.721 5.071 4.350 -0.001 0.000 0.293 167 T C 1.915 176.633 174.700 0.030 0.000 1.008 167 T CA 1.216 63.323 62.100 0.011 0.000 0.929 167 T CB 0.728 69.613 68.868 0.028 0.000 1.152 167 T HN 1.385 nan 8.240 nan 0.000 0.517 168 A N 2.470 125.311 122.820 0.034 0.000 1.873 168 A HA 0.014 4.333 4.320 -0.001 0.000 0.218 168 A C 2.158 179.768 177.584 0.044 0.000 1.193 168 A CA 1.384 53.454 52.037 0.055 0.000 0.629 168 A CB -0.646 18.399 19.000 0.075 0.000 0.826 168 A HN 0.486 nan 8.150 nan 0.000 0.447 169 I N 0.159 120.737 120.570 0.014 0.000 2.226 169 I HA -0.216 3.953 4.170 -0.001 0.000 0.245 169 I C 3.039 179.166 176.117 0.017 0.000 1.100 169 I CA 1.992 63.290 61.300 -0.003 0.000 1.374 169 I CB -1.656 36.319 38.000 -0.042 0.000 1.057 169 I HN 0.505 nan 8.210 nan 0.000 0.413 170 K N 0.643 121.057 120.400 0.023 0.000 2.057 170 K HA -0.201 4.119 4.320 -0.001 0.000 0.207 170 K C 1.740 178.382 176.600 0.069 0.000 1.049 170 K CA 2.007 58.318 56.287 0.040 0.000 0.931 170 K CB -1.072 31.447 32.500 0.033 0.000 0.714 170 K HN 0.372 nan 8.250 nan 0.000 0.440 171 D N 0.307 120.751 120.400 0.073 0.000 2.144 171 D HA -0.024 4.616 4.640 -0.001 0.000 0.200 171 D C 1.928 178.308 176.300 0.132 0.000 0.978 171 D CA 0.913 54.969 54.000 0.093 0.000 0.833 171 D CB -0.025 40.830 40.800 0.091 0.000 0.961 171 D HN 0.411 nan 8.370 nan 0.000 0.470 172 L N 0.330 121.639 121.223 0.143 0.000 2.109 172 L HA -0.056 4.284 4.340 -0.001 0.000 0.207 172 L C 2.235 179.325 176.870 0.367 0.000 1.086 172 L CA 0.953 55.928 54.840 0.224 0.000 0.760 172 L CB -0.077 42.074 42.059 0.153 0.000 0.910 172 L HN -0.090 nan 8.230 nan 0.000 0.437 173 K N -0.370 120.170 120.400 0.234 0.000 2.296 173 K HA 0.033 4.353 4.320 -0.001 0.000 0.200 173 K C 0.237 177.053 176.600 0.359 0.000 1.048 173 K CA 0.572 57.020 56.287 0.268 0.000 0.966 173 K CB 0.208 32.762 32.500 0.090 0.000 0.754 173 K HN 0.229 nan 8.250 nan 0.000 0.466 174 N N 1.212 120.051 118.700 0.231 0.000 2.711 174 N HA 0.155 4.895 4.740 -0.001 0.000 0.263 174 N C -2.872 172.697 175.510 0.099 0.000 1.667 174 N CA -0.765 52.379 53.050 0.156 0.000 0.785 174 N CB 1.702 40.254 38.487 0.108 0.000 1.231 174 N HN 0.045 nan 8.380 nan 0.000 0.503 175 P HA 0.204 nan 4.420 nan 0.000 0.275 175 P C 0.318 177.607 177.300 -0.018 0.000 1.227 175 P CA -0.050 63.075 63.100 0.041 0.000 0.781 175 P CB 1.685 33.403 31.700 0.030 0.000 0.906 176 D N 1.187 121.561 120.400 -0.043 0.000 2.149 176 D HA -0.111 4.529 4.640 -0.001 0.000 0.198 176 D C 1.089 177.317 176.300 -0.120 0.000 0.990 176 D CA 1.743 55.693 54.000 -0.084 0.000 0.839 176 D CB 0.166 40.895 40.800 -0.118 0.000 0.948 176 D HN 0.470 nan 8.370 nan 0.000 0.460 177 R N -0.833 119.578 120.500 -0.149 0.000 2.692 177 R HA 0.473 4.813 4.340 -0.001 0.000 0.269 177 R C -1.799 174.425 176.300 -0.125 0.000 1.030 177 R CA -0.780 55.225 56.100 -0.158 0.000 0.882 177 R CB 0.731 30.914 30.300 -0.195 0.000 1.250 177 R HN -0.173 nan 8.270 nan 0.000 0.465 178 V N 2.071 121.896 119.914 -0.148 0.000 2.459 178 V HA 0.502 4.621 4.120 -0.001 0.000 0.295 178 V C -0.722 175.321 176.094 -0.086 0.000 1.029 178 V CA -0.930 61.262 62.300 -0.181 0.000 0.874 178 V CB 1.533 33.078 31.823 -0.462 0.000 0.985 178 V HN 0.644 nan 8.190 nan 0.000 0.438 179 L N 6.880 128.124 121.223 0.035 0.000 2.333 179 L HA 0.723 5.062 4.340 -0.001 0.000 0.280 179 L C -0.806 176.087 176.870 0.039 0.000 1.004 179 L CA 0.096 54.978 54.840 0.071 0.000 0.820 179 L CB 1.323 43.515 42.059 0.222 0.000 1.247 179 L HN 0.561 nan 8.230 nan 0.000 0.416 180 I N 4.376 124.959 120.570 0.022 0.000 2.499 180 I HA 0.634 4.804 4.170 -0.001 0.000 0.288 180 I C 0.149 176.263 176.117 -0.005 0.000 1.048 180 I CA -0.575 60.743 61.300 0.031 0.000 1.062 180 I CB 2.140 40.176 38.000 0.060 0.000 1.238 180 I HN 0.729 nan 8.210 nan 0.000 0.426 181 G N 3.183 111.965 108.800 -0.031 0.000 2.452 181 G HA2 0.821 4.781 3.960 -0.001 0.000 0.324 181 G HA3 0.821 4.781 3.960 -0.001 0.000 0.324 181 G C -0.719 174.105 174.900 -0.127 0.000 1.214 181 G CA -0.756 44.286 45.100 -0.097 0.000 0.947 181 G HN 0.879 nan 8.290 nan 0.000 0.478 182 G N 0.448 109.152 108.800 -0.160 0.000 2.608 182 G HA2 0.495 4.455 3.960 -0.001 0.000 0.291 182 G HA3 0.495 4.455 3.960 -0.001 0.000 0.291 182 G C -1.469 173.327 174.900 -0.173 0.000 1.425 182 G CA -0.795 44.213 45.100 -0.154 0.000 0.787 182 G HN 0.495 nan 8.290 nan 0.000 0.484 183 D N -0.077 120.243 120.400 -0.134 0.000 2.378 183 D HA 0.403 5.043 4.640 -0.001 0.000 0.238 183 D C 1.620 177.885 176.300 -0.057 0.000 1.180 183 D CA 0.704 54.648 54.000 -0.094 0.000 0.895 183 D CB 0.862 41.636 40.800 -0.042 0.000 1.192 183 D HN 0.674 nan 8.370 nan 0.000 0.438 184 E N 0.236 120.414 120.200 -0.037 0.000 2.478 184 E HA -0.012 4.338 4.350 -0.001 0.000 0.198 184 E C 1.001 177.596 176.600 -0.008 0.000 1.046 184 E CA 0.717 57.106 56.400 -0.019 0.000 0.870 184 E CB -0.906 28.790 29.700 -0.006 0.000 0.818 184 E HN 0.565 nan 8.360 nan 0.000 0.527 185 T N -2.227 112.324 114.554 -0.004 0.000 2.855 185 T HA 0.214 4.564 4.350 -0.001 0.000 0.314 185 T C -1.536 173.165 174.700 0.001 0.000 1.077 185 T CA -0.637 61.465 62.100 0.003 0.000 1.095 185 T CB 1.281 70.154 68.868 0.008 0.000 0.987 185 T HN -0.077 nan 8.240 nan 0.000 0.546 186 P HA -0.106 nan 4.420 nan 0.000 0.215 186 P C 1.700 179.001 177.300 0.002 0.000 1.157 186 P CA 0.955 64.055 63.100 -0.000 0.000 0.874 186 P CB 0.073 31.771 31.700 -0.003 0.000 0.790 187 E N -0.675 119.529 120.200 0.006 0.000 2.077 187 E HA -0.100 4.250 4.350 -0.001 0.000 0.193 187 E C 2.305 178.922 176.600 0.029 0.000 0.989 187 E CA 1.596 58.007 56.400 0.020 0.000 0.800 187 E CB -1.232 28.487 29.700 0.033 0.000 0.746 187 E HN 0.242 nan 8.360 nan 0.000 0.452 188 G N 1.269 110.077 108.800 0.013 0.000 2.440 188 G HA2 -0.270 3.690 3.960 -0.001 0.000 0.218 188 G HA3 -0.270 3.690 3.960 -0.001 0.000 0.218 188 G C 1.542 176.444 174.900 0.003 0.000 1.154 188 G CA 0.517 45.616 45.100 -0.000 0.000 0.767 188 G HN 0.163 nan 8.290 nan 0.000 0.552 189 Q N -0.190 119.613 119.800 0.004 0.000 2.172 189 Q HA 0.033 4.372 4.340 -0.001 0.000 0.200 189 Q C 2.487 178.502 176.000 0.025 0.000 0.964 189 Q CA 0.709 56.517 55.803 0.008 0.000 0.855 189 Q CB -0.278 28.462 28.738 0.003 0.000 0.918 189 Q HN 0.581 nan 8.270 nan 0.000 0.444 190 R N 0.350 120.867 120.500 0.028 0.000 2.096 190 R HA -0.092 4.248 4.340 -0.001 0.000 0.235 190 R C 2.020 178.371 176.300 0.084 0.000 1.127 190 R CA 1.264 57.391 56.100 0.046 0.000 0.968 190 R CB -0.066 30.243 30.300 0.015 0.000 0.861 190 R HN 0.192 nan 8.270 nan 0.000 0.440 191 A N 0.250 123.117 122.820 0.077 0.000 1.873 191 A HA -0.077 4.242 4.320 -0.001 0.000 0.215 191 A C 2.256 179.881 177.584 0.069 0.000 1.186 191 A CA 1.420 53.505 52.037 0.080 0.000 0.616 191 A CB -0.557 18.459 19.000 0.026 0.000 0.823 191 A HN 0.213 nan 8.150 nan 0.000 0.442 192 V N 0.057 119.999 119.914 0.047 0.000 2.287 192 V HA -0.296 3.824 4.120 -0.001 0.000 0.248 192 V C 2.790 178.926 176.094 0.069 0.000 1.053 192 V CA 2.451 64.780 62.300 0.048 0.000 1.027 192 V CB -0.733 31.104 31.823 0.022 0.000 0.646 192 V HN 0.709 nan 8.190 nan 0.000 0.447 193 Q N 0.424 120.264 119.800 0.067 0.000 2.119 193 Q HA -0.097 4.243 4.340 -0.001 0.000 0.201 193 Q C 2.111 178.167 176.000 0.094 0.000 0.972 193 Q CA 2.040 57.884 55.803 0.069 0.000 0.847 193 Q CB -0.653 28.119 28.738 0.056 0.000 0.903 193 Q HN 0.588 nan 8.270 nan 0.000 0.433 194 A N 0.187 123.088 122.820 0.136 0.000 1.883 194 A HA -0.171 4.148 4.320 -0.001 0.000 0.217 194 A C 2.010 179.668 177.584 0.123 0.000 1.186 194 A CA 1.664 53.811 52.037 0.183 0.000 0.624 194 A CB -0.878 18.337 19.000 0.359 0.000 0.822 194 A HN 0.466 nan 8.150 nan 0.000 0.444 195 L N -0.427 120.859 121.223 0.105 0.000 2.072 195 L HA -0.100 4.240 4.340 -0.001 0.000 0.205 195 L C 2.486 179.429 176.870 0.122 0.000 1.079 195 L CA 1.865 56.753 54.840 0.080 0.000 0.752 195 L CB -0.850 41.278 42.059 0.114 0.000 0.906 195 L HN 0.478 nan 8.230 nan 0.000 0.436 196 C N -0.226 119.163 119.300 0.149 0.000 2.398 196 C HA -0.233 4.227 4.460 -0.001 0.000 0.276 196 C C 2.999 178.049 174.990 0.100 0.000 1.222 196 C CA 0.876 59.981 59.018 0.146 0.000 1.746 196 C CB -1.697 26.093 27.740 0.082 0.000 2.039 196 C HN 0.713 nan 8.230 nan 0.000 0.470 197 A N 0.001 122.866 122.820 0.075 0.000 1.978 197 A HA -0.098 4.221 4.320 -0.001 0.000 0.220 197 A C 2.247 179.925 177.584 0.157 0.000 1.170 197 A CA 2.159 54.235 52.037 0.065 0.000 0.636 197 A CB -0.624 18.410 19.000 0.057 0.000 0.810 197 A HN 0.411 nan 8.150 nan 0.000 0.448 198 V N -1.533 118.450 119.914 0.115 0.000 2.237 198 V HA -0.302 3.818 4.120 -0.001 0.000 0.245 198 V C 2.318 178.496 176.094 0.139 0.000 1.046 198 V CA 2.090 64.459 62.300 0.115 0.000 1.007 198 V CB -1.146 30.594 31.823 -0.140 0.000 0.638 198 V HN 0.699 nan 8.190 nan 0.000 0.445 199 Y N 0.412 120.712 120.300 0.001 0.000 2.274 199 Y HA -0.182 4.368 4.550 -0.001 0.000 0.290 199 Y C 2.548 178.176 175.900 -0.453 0.000 1.145 199 Y CA 1.349 59.156 58.100 -0.488 0.000 1.203 199 Y CB -0.210 38.005 38.460 -0.408 0.000 0.984 199 Y HN 0.326 nan 8.280 nan 0.000 0.533 200 E N -0.729 119.463 120.200 -0.013 0.000 2.401 200 E HA -0.197 4.153 4.350 -0.001 0.000 0.199 200 E C 1.242 177.841 176.600 -0.002 0.000 1.023 200 E CA 0.641 57.015 56.400 -0.043 0.000 0.859 200 E CB -0.182 29.488 29.700 -0.048 0.000 0.780 200 E HN 0.670 nan 8.360 nan 0.000 0.523 201 H N -1.214 117.930 119.070 0.124 0.000 2.456 201 H HA -0.154 4.401 4.556 -0.001 0.000 0.296 201 H C 1.332 176.893 175.328 0.388 0.000 1.079 201 H CA 1.850 58.055 56.048 0.262 0.000 1.322 201 H CB -0.034 29.940 29.762 0.352 0.000 1.388 201 H HN 0.512 nan 8.280 nan 0.000 0.538 202 W N -2.510 118.899 121.300 0.182 0.000 1.857 202 W HA 0.413 5.072 4.660 -0.000 0.000 0.244 202 W C -1.396 175.190 176.519 0.112 0.000 0.859 202 W CA -0.172 57.254 57.345 0.134 0.000 1.112 202 W CB 0.434 29.980 29.460 0.144 0.000 0.967 202 W HN -0.312 nan 8.180 nan 0.000 0.524 203 V N 3.822 123.520 119.914 -0.360 0.000 2.398 203 V HA 0.422 4.542 4.120 -0.001 0.000 0.286 203 V C -1.953 174.055 176.094 -0.144 0.000 1.026 203 V CA -2.108 60.004 62.300 -0.313 0.000 0.868 203 V CB 1.184 32.714 31.823 -0.488 0.000 0.982 203 V HN -0.267 nan 8.190 nan 0.000 0.443 204 P HA 0.081 nan 4.420 nan 0.000 0.264 204 P C 0.753 178.014 177.300 -0.066 0.000 1.183 204 P CA 0.068 63.137 63.100 -0.053 0.000 0.763 204 P CB 0.594 32.273 31.700 -0.036 0.000 0.807 205 R N 3.899 124.369 120.500 -0.050 0.000 2.120 205 R HA -0.172 4.167 4.340 -0.001 0.000 0.234 205 R C 1.713 177.985 176.300 -0.048 0.000 1.123 205 R CA 1.464 57.536 56.100 -0.046 0.000 0.975 205 R CB -0.163 30.117 30.300 -0.033 0.000 0.866 205 R HN 0.528 nan 8.270 nan 0.000 0.446 206 E N 0.767 120.940 120.200 -0.044 0.000 2.265 206 E HA -0.206 4.144 4.350 -0.001 0.000 0.196 206 E C 0.794 177.360 176.600 -0.058 0.000 0.996 206 E CA 1.207 57.580 56.400 -0.045 0.000 0.832 206 E CB -0.095 29.583 29.700 -0.037 0.000 0.756 206 E HN 0.368 nan 8.360 nan 0.000 0.491 207 K N 0.493 120.851 120.400 -0.070 0.000 2.417 207 K HA 0.284 4.603 4.320 -0.001 0.000 0.196 207 K C 0.238 176.773 176.600 -0.107 0.000 1.023 207 K CA -0.051 56.182 56.287 -0.089 0.000 1.122 207 K CB 0.393 32.837 32.500 -0.092 0.000 0.850 207 K HN 0.116 nan 8.250 nan 0.000 0.521 208 I N 2.217 122.731 120.570 -0.093 0.000 2.330 208 I HA 0.201 4.370 4.170 -0.001 0.000 0.289 208 I C -0.494 175.584 176.117 -0.064 0.000 1.001 208 I CA -0.620 60.625 61.300 -0.092 0.000 1.193 208 I CB 1.098 39.053 38.000 -0.075 0.000 1.345 208 I HN -0.134 nan 8.210 nan 0.000 0.461 209 L N 6.250 127.435 121.223 -0.063 0.000 2.307 209 L HA 0.553 4.892 4.340 -0.001 0.000 0.282 209 L C 0.247 177.099 176.870 -0.029 0.000 1.051 209 L CA -0.446 54.366 54.840 -0.047 0.000 0.804 209 L CB 1.795 43.821 42.059 -0.055 0.000 1.197 209 L HN 0.593 nan 8.230 nan 0.000 0.431 210 T N -1.223 113.316 114.554 -0.025 0.000 2.863 210 T HA 0.701 5.050 4.350 -0.001 0.000 0.285 210 T C -0.411 174.272 174.700 -0.028 0.000 1.009 210 T CA -0.610 61.478 62.100 -0.020 0.000 0.989 210 T CB 2.428 71.289 68.868 -0.013 0.000 1.004 210 T HN 0.639 nan 8.240 nan 0.000 0.455 211 T N 1.114 115.645 114.554 -0.038 0.000 2.626 211 T HA 0.512 4.861 4.350 -0.001 0.000 0.299 211 T C -1.187 173.460 174.700 -0.088 0.000 1.181 211 T CA -0.650 61.420 62.100 -0.049 0.000 1.053 211 T CB 1.028 69.874 68.868 -0.037 0.000 1.566 211 T HN 1.007 nan 8.240 nan 0.000 0.486 212 N N 0.101 118.733 118.700 -0.114 0.000 2.445 212 N HA 0.276 5.016 4.740 -0.001 0.000 0.264 212 N C 1.069 176.377 175.510 -0.338 0.000 1.227 212 N CA 0.318 53.229 53.050 -0.231 0.000 0.963 212 N CB -0.159 38.201 38.487 -0.212 0.000 1.188 212 N HN 0.544 nan 8.380 nan 0.000 0.491 213 T N -0.630 113.539 114.554 -0.643 0.000 2.759 213 T HA -0.143 4.207 4.350 -0.001 0.000 0.269 213 T C 1.101 175.530 174.700 -0.452 0.000 1.042 213 T CA 1.579 63.259 62.100 -0.701 0.000 1.140 213 T CB -0.464 67.685 68.868 -1.198 0.000 0.864 213 T HN 0.671 nan 8.240 nan 0.000 0.455 214 W N 1.201 122.507 121.300 0.010 0.000 2.443 214 W HA 0.083 4.743 4.660 -0.000 0.000 0.296 214 W C 2.907 179.431 176.519 0.009 0.000 1.202 214 W CA 0.025 57.374 57.345 0.007 0.000 1.312 214 W CB -0.611 28.852 29.460 0.005 0.000 1.120 214 W HN 0.052 nan 8.180 nan 0.000 0.536 215 S N 0.321 116.108 115.700 0.145 0.000 2.382 215 S HA -0.233 4.237 4.470 -0.001 0.000 0.228 215 S C 1.970 176.604 174.600 0.057 0.000 1.027 215 S CA 1.655 59.906 58.200 0.085 0.000 0.991 215 S CB -0.619 62.603 63.200 0.037 0.000 0.823 215 S HN 0.263 nan 8.310 nan 0.000 0.469 216 S N 1.037 116.751 115.700 0.023 0.000 2.345 216 S HA -0.119 4.351 4.470 -0.001 0.000 0.220 216 S C 1.792 176.427 174.600 0.059 0.000 1.031 216 S CA 1.249 59.468 58.200 0.030 0.000 0.996 216 S CB -0.323 62.869 63.200 -0.013 0.000 0.882 216 S HN 0.548 nan 8.310 nan 0.000 0.445 217 E N 0.346 120.591 120.200 0.075 0.000 2.058 217 E HA -0.178 4.172 4.350 -0.001 0.000 0.194 217 E C 2.079 178.728 176.600 0.081 0.000 0.997 217 E CA 1.439 57.894 56.400 0.092 0.000 0.801 217 E CB -0.309 29.489 29.700 0.163 0.000 0.746 217 E HN 0.363 nan 8.360 nan 0.000 0.450 218 L N 0.945 122.226 121.223 0.096 0.000 2.046 218 L HA -0.146 4.194 4.340 -0.001 0.000 0.208 218 L C 2.191 179.087 176.870 0.044 0.000 1.077 218 L CA 1.733 56.611 54.840 0.064 0.000 0.747 218 L CB -0.568 41.536 42.059 0.076 0.000 0.896 218 L HN -0.066 nan 8.230 nan 0.000 0.432 219 S N -0.391 115.344 115.700 0.058 0.000 2.374 219 S HA -0.256 4.213 4.470 -0.001 0.000 0.227 219 S C 1.944 176.607 174.600 0.104 0.000 1.037 219 S CA 1.678 59.911 58.200 0.054 0.000 1.024 219 S CB -0.343 62.897 63.200 0.066 0.000 0.861 219 S HN 0.413 nan 8.310 nan 0.000 0.456 220 K N 1.725 122.206 120.400 0.135 0.000 2.026 220 K HA 0.053 4.373 4.320 -0.001 0.000 0.208 220 K C 1.823 178.470 176.600 0.077 0.000 1.048 220 K CA 1.320 57.698 56.287 0.151 0.000 0.929 220 K CB -0.691 31.807 32.500 -0.003 0.000 0.713 220 K HN 0.333 nan 8.250 nan 0.000 0.439 221 L N 0.038 121.273 121.223 0.020 0.000 2.046 221 L HA -0.103 4.237 4.340 -0.001 0.000 0.208 221 L C 2.510 179.323 176.870 -0.096 0.000 1.077 221 L CA 1.309 56.127 54.840 -0.036 0.000 0.747 221 L CB -0.692 41.335 42.059 -0.052 0.000 0.896 221 L HN 0.294 nan 8.230 nan 0.000 0.432 222 A N -0.001 122.777 122.820 -0.071 0.000 1.933 222 A HA -0.135 4.185 4.320 -0.001 0.000 0.218 222 A C 2.530 180.122 177.584 0.015 0.000 1.175 222 A CA 1.640 53.638 52.037 -0.065 0.000 0.628 222 A CB -0.612 18.387 19.000 -0.002 0.000 0.814 222 A HN 0.401 nan 8.150 nan 0.000 0.444 223 A N 0.283 123.100 122.820 -0.004 0.000 1.877 223 A HA -0.190 4.130 4.320 -0.001 0.000 0.216 223 A C 1.931 179.516 177.584 0.000 0.000 1.186 223 A CA 1.882 53.910 52.037 -0.015 0.000 0.620 223 A CB -0.641 18.381 19.000 0.036 0.000 0.822 223 A HN 0.510 nan 8.150 nan 0.000 0.443 224 N N 0.357 119.061 118.700 0.008 0.000 2.166 224 N HA -0.080 4.660 4.740 -0.001 0.000 0.186 224 N C 1.809 177.114 175.510 -0.340 0.000 1.019 224 N CA 1.530 54.531 53.050 -0.081 0.000 0.856 224 N CB -0.512 38.032 38.487 0.094 0.000 0.993 224 N HN 0.468 nan 8.380 nan 0.000 0.426 225 A N -0.041 122.621 122.820 -0.263 0.000 1.873 225 A HA -0.067 4.253 4.320 -0.001 0.000 0.215 225 A C 2.015 179.540 177.584 -0.098 0.000 1.186 225 A CA 0.921 52.735 52.037 -0.371 0.000 0.616 225 A CB -0.914 17.501 19.000 -0.976 0.000 0.823 225 A HN 0.192 nan 8.150 nan 0.000 0.442 226 F N 0.056 119.932 119.950 -0.123 0.000 2.126 226 F HA -0.150 4.376 4.527 -0.001 0.000 0.299 226 F C 2.152 177.898 175.800 -0.090 0.000 1.096 226 F CA 1.566 59.585 58.000 0.032 0.000 1.255 226 F CB -0.439 38.566 39.000 0.009 0.000 0.997 226 F HN 0.104 nan 8.300 nan 0.000 0.479 227 L N -0.806 120.375 121.223 -0.070 0.000 1.994 227 L HA -0.212 4.128 4.340 -0.001 0.000 0.208 227 L C 2.741 179.439 176.870 -0.287 0.000 1.071 227 L CA 1.260 55.971 54.840 -0.215 0.000 0.745 227 L CB -1.119 40.738 42.059 -0.337 0.000 0.892 227 L HN 0.113 nan 8.230 nan 0.000 0.431 228 A N -0.583 121.726 122.820 -0.852 0.000 1.917 228 A HA -0.321 3.998 4.320 -0.001 0.000 0.219 228 A C 2.262 179.691 177.584 -0.258 0.000 1.182 228 A CA 2.108 53.582 52.037 -0.938 0.000 0.633 228 A CB -0.692 17.581 19.000 -1.211 0.000 0.819 228 A HN 0.531 nan 8.150 nan 0.000 0.448 229 Q N -0.598 119.144 119.800 -0.096 0.000 2.124 229 Q HA -0.199 4.140 4.340 -0.001 0.000 0.202 229 Q C 2.272 178.290 176.000 0.030 0.000 0.977 229 Q CA 1.549 57.358 55.803 0.010 0.000 0.850 229 Q CB -0.100 28.649 28.738 0.017 0.000 0.901 229 Q HN 0.694 nan 8.270 nan 0.000 0.429 230 R N -0.160 120.380 120.500 0.067 0.000 2.096 230 R HA -0.118 4.222 4.340 -0.001 0.000 0.235 230 R C 2.275 178.654 176.300 0.131 0.000 1.127 230 R CA 1.555 57.728 56.100 0.120 0.000 0.968 230 R CB -0.256 30.164 30.300 0.201 0.000 0.861 230 R HN 0.357 nan 8.270 nan 0.000 0.440 231 I N -0.045 120.618 120.570 0.156 0.000 2.202 231 I HA -0.224 3.946 4.170 -0.001 0.000 0.242 231 I C 2.197 178.416 176.117 0.170 0.000 1.091 231 I CA 1.144 62.542 61.300 0.164 0.000 1.368 231 I CB -0.237 37.910 38.000 0.244 0.000 1.058 231 I HN 0.037 nan 8.210 nan 0.000 0.410 232 S N 0.244 116.069 115.700 0.208 0.000 2.399 232 S HA -0.154 4.316 4.470 -0.001 0.000 0.231 232 S C 2.232 176.878 174.600 0.076 0.000 1.022 232 S CA 1.510 59.806 58.200 0.159 0.000 0.983 232 S CB -0.164 63.145 63.200 0.182 0.000 0.803 232 S HN 0.364 nan 8.310 nan 0.000 0.480 233 S N 1.241 116.973 115.700 0.053 0.000 2.355 233 S HA -0.012 4.458 4.470 -0.001 0.000 0.222 233 S C 1.787 176.408 174.600 0.035 0.000 1.031 233 S CA 0.890 59.104 58.200 0.024 0.000 0.993 233 S CB -0.299 62.906 63.200 0.009 0.000 0.859 233 S HN 0.381 nan 8.310 nan 0.000 0.453 234 I N 2.498 123.097 120.570 0.048 0.000 2.546 234 I HA -0.055 4.114 4.170 -0.001 0.000 0.255 234 I C 1.581 177.719 176.117 0.035 0.000 1.163 234 I CA 0.904 62.228 61.300 0.040 0.000 1.457 234 I CB -0.345 37.679 38.000 0.041 0.000 1.092 234 I HN 0.115 nan 8.210 nan 0.000 0.434 235 N N -0.070 118.656 118.700 0.043 0.000 2.216 235 N HA -0.132 4.608 4.740 -0.001 0.000 0.183 235 N C 2.127 177.667 175.510 0.050 0.000 1.017 235 N CA 1.513 54.582 53.050 0.031 0.000 0.861 235 N CB -0.390 38.112 38.487 0.026 0.000 0.986 235 N HN 0.501 nan 8.380 nan 0.000 0.428 236 S N 0.763 116.502 115.700 0.065 0.000 2.382 236 S HA -0.047 4.423 4.470 -0.001 0.000 0.228 236 S C 1.913 176.547 174.600 0.057 0.000 1.027 236 S CA 0.573 58.820 58.200 0.079 0.000 0.991 236 S CB -0.287 62.941 63.200 0.046 0.000 0.823 236 S HN 0.066 nan 8.310 nan 0.000 0.469 237 I N 3.442 124.035 120.570 0.038 0.000 2.286 237 I HA -0.113 4.057 4.170 -0.001 0.000 0.248 237 I C 3.027 179.164 176.117 0.033 0.000 1.115 237 I CA 1.484 62.803 61.300 0.030 0.000 1.392 237 I CB -2.048 35.966 38.000 0.023 0.000 1.065 237 I HN 0.627 nan 8.210 nan 0.000 0.418 238 S N 1.791 117.510 115.700 0.032 0.000 2.374 238 S HA -0.200 4.270 4.470 -0.001 0.000 0.227 238 S C 2.264 176.887 174.600 0.039 0.000 1.037 238 S CA 1.397 59.614 58.200 0.027 0.000 1.024 238 S CB -0.628 62.580 63.200 0.013 0.000 0.861 238 S HN 0.405 nan 8.310 nan 0.000 0.456 239 A N 1.726 124.580 122.820 0.057 0.000 1.898 239 A HA 0.192 4.512 4.320 -0.001 0.000 0.216 239 A C 2.379 180.004 177.584 0.068 0.000 1.181 239 A CA 1.336 53.420 52.037 0.078 0.000 0.620 239 A CB -0.854 18.240 19.000 0.157 0.000 0.819 239 A HN 0.551 nan 8.150 nan 0.000 0.442 240 L N -0.815 120.442 121.223 0.057 0.000 2.046 240 L HA -0.261 4.079 4.340 -0.001 0.000 0.208 240 L C 2.739 179.628 176.870 0.032 0.000 1.077 240 L CA 1.304 56.168 54.840 0.040 0.000 0.747 240 L CB -0.560 41.516 42.059 0.029 0.000 0.896 240 L HN 0.509 nan 8.230 nan 0.000 0.432 241 C N -0.056 119.262 119.300 0.030 0.000 2.413 241 C HA -0.173 4.287 4.460 -0.001 0.000 0.276 241 C C 2.605 177.612 174.990 0.028 0.000 1.236 241 C CA 0.828 59.861 59.018 0.025 0.000 1.735 241 C CB -0.794 26.958 27.740 0.020 0.000 2.031 241 C HN 0.526 nan 8.230 nan 0.000 0.474 242 E N 0.822 121.044 120.200 0.037 0.000 2.130 242 E HA -0.211 4.138 4.350 -0.001 0.000 0.196 242 E C 2.252 178.876 176.600 0.040 0.000 0.998 242 E CA 1.532 57.957 56.400 0.042 0.000 0.806 242 E CB -0.242 29.489 29.700 0.052 0.000 0.738 242 E HN 0.709 nan 8.360 nan 0.000 0.459 243 A N 0.739 123.582 122.820 0.039 0.000 1.970 243 A HA -0.094 4.226 4.320 -0.001 0.000 0.216 243 A C 2.282 179.883 177.584 0.027 0.000 1.170 243 A CA 1.624 53.681 52.037 0.035 0.000 0.645 243 A CB -0.341 18.681 19.000 0.037 0.000 0.816 243 A HN 0.353 nan 8.150 nan 0.000 0.447 244 T N -5.451 109.117 114.554 0.024 0.000 3.023 244 T HA 0.425 4.775 4.350 -0.001 0.000 0.253 244 T C 1.302 176.012 174.700 0.017 0.000 1.038 244 T CA 1.067 63.178 62.100 0.019 0.000 0.962 244 T CB 0.334 69.212 68.868 0.016 0.000 1.018 244 T HN 1.624 nan 8.240 nan 0.000 0.521 245 G N 1.305 110.116 108.800 0.019 0.000 2.148 245 G HA2 -0.029 3.930 3.960 -0.001 0.000 0.254 245 G HA3 -0.029 3.930 3.960 -0.001 0.000 0.254 245 G C 0.343 175.249 174.900 0.010 0.000 0.981 245 G CA -0.007 45.102 45.100 0.016 0.000 0.670 245 G HN 1.134 nan 8.290 nan 0.000 0.528 246 A N -0.666 122.160 122.820 0.011 0.000 2.259 246 A HA 0.634 4.954 4.320 -0.001 0.000 0.278 246 A C 0.137 177.723 177.584 0.003 0.000 1.107 246 A CA 0.293 52.333 52.037 0.006 0.000 0.828 246 A CB 0.633 19.637 19.000 0.008 0.000 1.111 246 A HN 0.349 nan 8.150 nan 0.000 0.498 247 D N 0.060 120.458 120.400 -0.003 0.000 2.408 247 D HA 0.252 4.892 4.640 -0.001 0.000 0.243 247 D C 0.827 177.125 176.300 -0.004 0.000 1.075 247 D CA -0.363 53.632 54.000 -0.009 0.000 0.832 247 D CB 1.806 42.592 40.800 -0.023 0.000 1.162 247 D HN 0.126 nan 8.370 nan 0.000 0.515 248 V N 4.707 124.621 119.914 -0.000 0.000 2.469 248 V HA -0.185 3.935 4.120 -0.001 0.000 0.251 248 V C 1.863 177.957 176.094 0.001 0.000 1.064 248 V CA 1.794 64.097 62.300 0.004 0.000 1.066 248 V CB -0.088 31.740 31.823 0.008 0.000 0.667 248 V HN 0.527 nan 8.190 nan 0.000 0.461 249 E N -0.126 120.070 120.200 -0.007 0.000 2.072 249 E HA -0.221 4.128 4.350 -0.001 0.000 0.191 249 E C 2.135 178.732 176.600 -0.004 0.000 0.985 249 E CA 1.627 58.022 56.400 -0.008 0.000 0.801 249 E CB -0.184 29.506 29.700 -0.017 0.000 0.750 249 E HN 0.764 nan 8.360 nan 0.000 0.452 250 E N 0.408 120.604 120.200 -0.007 0.000 2.106 250 E HA -0.096 4.254 4.350 -0.001 0.000 0.192 250 E C 2.263 178.865 176.600 0.002 0.000 0.984 250 E CA 0.838 57.236 56.400 -0.004 0.000 0.806 250 E CB 0.062 29.758 29.700 -0.007 0.000 0.750 250 E HN 0.007 nan 8.360 nan 0.000 0.458 251 V N 1.558 121.474 119.914 0.004 0.000 2.343 251 V HA -0.264 3.856 4.120 -0.001 0.000 0.247 251 V C 2.374 178.475 176.094 0.012 0.000 1.051 251 V CA 1.813 64.118 62.300 0.008 0.000 1.036 251 V CB -0.731 31.098 31.823 0.010 0.000 0.654 251 V HN 0.315 nan 8.190 nan 0.000 0.451 252 A N -0.248 122.579 122.820 0.013 0.000 1.940 252 A HA -0.253 4.066 4.320 -0.001 0.000 0.219 252 A C 2.393 179.989 177.584 0.020 0.000 1.176 252 A CA 2.612 54.660 52.037 0.019 0.000 0.631 252 A CB -0.963 18.048 19.000 0.018 0.000 0.814 252 A HN 0.514 nan 8.150 nan 0.000 0.446 253 T N 0.099 114.662 114.554 0.015 0.000 2.737 253 T HA 0.010 4.360 4.350 -0.001 0.000 0.265 253 T C 2.245 176.954 174.700 0.015 0.000 1.038 253 T CA 1.572 63.681 62.100 0.015 0.000 1.144 253 T CB -0.430 68.444 68.868 0.010 0.000 0.866 253 T HN 0.607 nan 8.240 nan 0.000 0.434 254 A N 0.998 123.826 122.820 0.013 0.000 1.902 254 A HA 0.008 4.327 4.320 -0.001 0.000 0.217 254 A C 2.282 179.876 177.584 0.016 0.000 1.181 254 A CA 1.128 53.172 52.037 0.012 0.000 0.623 254 A CB -0.741 18.265 19.000 0.010 0.000 0.818 254 A HN 0.514 nan 8.150 nan 0.000 0.443 255 I N -0.367 120.214 120.570 0.018 0.000 2.179 255 I HA -0.193 3.977 4.170 -0.001 0.000 0.242 255 I C 2.662 178.795 176.117 0.027 0.000 1.088 255 I CA 1.245 62.558 61.300 0.022 0.000 1.357 255 I CB -0.602 37.413 38.000 0.025 0.000 1.051 255 I HN 0.396 nan 8.210 nan 0.000 0.409 256 G N 0.275 109.092 108.800 0.029 0.000 2.471 256 G HA2 -0.178 3.781 3.960 -0.001 0.000 0.219 256 G HA3 -0.178 3.781 3.960 -0.001 0.000 0.219 256 G C 1.668 176.585 174.900 0.028 0.000 1.125 256 G CA 0.237 45.357 45.100 0.034 0.000 0.775 256 G HN 0.260 nan 8.290 nan 0.000 0.548 257 M N 0.528 120.141 119.600 0.022 0.000 2.557 257 M HA 0.058 4.538 4.480 -0.001 0.000 0.259 257 M C 0.493 176.803 176.300 0.017 0.000 1.086 257 M CA 0.194 55.505 55.300 0.018 0.000 1.096 257 M CB 0.144 32.753 32.600 0.015 0.000 1.424 257 M HN -0.015 nan 8.290 nan 0.000 0.488 258 D N 1.466 121.877 120.400 0.019 0.000 2.349 258 D HA -0.014 4.626 4.640 -0.001 0.000 0.266 258 D C 0.713 177.024 176.300 0.020 0.000 1.293 258 D CA 0.454 54.465 54.000 0.018 0.000 0.926 258 D CB 0.765 41.577 40.800 0.019 0.000 1.090 258 D HN 0.319 nan 8.370 nan 0.000 0.502 259 Q N 2.705 122.515 119.800 0.016 0.000 2.364 259 Q HA -0.126 4.214 4.340 -0.001 0.000 0.209 259 Q C 1.515 177.523 176.000 0.015 0.000 0.977 259 Q CA 0.867 56.679 55.803 0.014 0.000 0.885 259 Q CB 0.291 29.035 28.738 0.009 0.000 0.941 259 Q HN 0.444 nan 8.270 nan 0.000 0.464 260 R N -0.238 120.272 120.500 0.017 0.000 2.193 260 R HA 0.025 4.365 4.340 -0.001 0.000 0.213 260 R C 1.816 178.135 176.300 0.031 0.000 1.055 260 R CA 0.751 56.864 56.100 0.021 0.000 0.995 260 R CB 0.117 30.429 30.300 0.021 0.000 0.893 260 R HN 0.255 nan 8.270 nan 0.000 0.459 261 I N -0.310 120.280 120.570 0.034 0.000 2.628 261 I HA 0.120 4.289 4.170 -0.001 0.000 0.255 261 I C 0.990 177.135 176.117 0.047 0.000 1.119 261 I CA 0.506 61.833 61.300 0.045 0.000 1.448 261 I CB -0.179 37.847 38.000 0.042 0.000 1.133 261 I HN 0.257 nan 8.210 nan 0.000 0.438 262 G N 2.411 111.234 108.800 0.038 0.000 2.787 262 G HA2 -0.251 3.709 3.960 -0.001 0.000 0.685 262 G HA3 -0.251 3.709 3.960 -0.001 0.000 0.685 262 G C -0.109 174.822 174.900 0.051 0.000 1.437 262 G CA 0.049 45.172 45.100 0.038 0.000 0.872 262 G HN 0.493 nan 8.290 nan 0.000 0.566 263 N N -0.908 117.824 118.700 0.053 0.000 2.204 263 N HA 0.163 4.903 4.740 -0.001 0.000 0.219 263 N C 0.218 175.780 175.510 0.087 0.000 1.151 263 N CA -0.048 53.038 53.050 0.060 0.000 0.867 263 N CB 0.594 39.108 38.487 0.044 0.000 1.043 263 N HN 0.537 nan 8.380 nan 0.000 0.516 264 K N 0.281 120.749 120.400 0.114 0.000 2.098 264 K HA 0.278 4.597 4.320 -0.001 0.000 0.258 264 K C -0.273 176.512 176.600 0.308 0.000 0.973 264 K CA -0.771 55.630 56.287 0.191 0.000 0.898 264 K CB 0.464 33.064 32.500 0.166 0.000 1.057 264 K HN 0.025 nan 8.250 nan 0.000 0.447 265 F N 0.223 120.200 119.950 0.046 0.000 3.074 265 F HA -0.217 4.310 4.527 -0.001 0.000 0.289 265 F C 0.219 176.051 175.800 0.053 0.000 0.863 265 F CA 0.346 58.381 58.000 0.060 0.000 1.121 265 F CB -1.450 37.591 39.000 0.069 0.000 1.169 265 F HN 0.434 nan 8.300 nan 0.000 0.570 266 L N -0.622 120.664 121.223 0.106 0.000 3.141 266 L HA 0.132 4.472 4.340 -0.001 0.000 0.267 266 L C 0.365 177.242 176.870 0.013 0.000 1.281 266 L CA -0.106 54.771 54.840 0.061 0.000 1.037 266 L CB 0.284 42.382 42.059 0.066 0.000 1.407 266 L HN -0.171 nan 8.230 nan 0.000 0.566 267 K N 1.008 121.388 120.400 -0.034 0.000 2.268 267 K HA 0.632 4.952 4.320 -0.001 0.000 0.276 267 K C 0.474 177.045 176.600 -0.049 0.000 1.080 267 K CA -0.388 55.870 56.287 -0.048 0.000 0.910 267 K CB 1.377 33.830 32.500 -0.079 0.000 1.163 267 K HN 0.308 nan 8.250 nan 0.000 0.465 268 A N 2.275 125.078 122.820 -0.028 0.000 2.466 268 A HA 0.527 4.846 4.320 -0.001 0.000 0.238 268 A C 0.580 178.128 177.584 -0.059 0.000 1.074 268 A CA 0.254 52.273 52.037 -0.030 0.000 0.774 268 A CB 0.062 19.051 19.000 -0.018 0.000 1.015 268 A HN 1.039 nan 8.150 nan 0.000 0.498 269 S N -0.246 115.404 115.700 -0.083 0.000 2.643 269 S HA 0.352 4.822 4.470 -0.001 0.000 0.270 269 S C 0.424 174.891 174.600 -0.222 0.000 1.166 269 S CA 0.105 58.222 58.200 -0.138 0.000 0.815 269 S CB 0.807 63.946 63.200 -0.102 0.000 1.139 269 S HN 1.739 nan 8.310 nan 0.000 0.472 270 V N 0.672 120.373 119.914 -0.355 0.000 2.720 270 V HA 0.380 4.499 4.120 -0.001 0.000 0.256 270 V C 0.973 176.910 176.094 -0.262 0.000 1.082 270 V CA 2.417 64.432 62.300 -0.475 0.000 1.101 270 V CB -0.464 30.953 31.823 -0.676 0.000 0.693 270 V HN 1.875 nan 8.190 nan 0.000 0.479 271 G N -0.894 107.793 108.800 -0.187 0.000 2.329 271 G HA2 0.225 4.184 3.960 -0.001 0.000 0.308 271 G HA3 0.225 4.184 3.960 -0.001 0.000 0.308 271 G C -0.764 174.077 174.900 -0.098 0.000 1.587 271 G CA -0.468 44.516 45.100 -0.193 0.000 0.978 271 G HN 0.785 nan 8.290 nan 0.000 0.685 272 F N 0.810 120.771 119.950 0.018 0.000 2.518 272 F HA 0.720 5.247 4.527 -0.001 0.000 0.359 272 F C 0.747 176.580 175.800 0.056 0.000 1.118 272 F CA -0.187 57.865 58.000 0.087 0.000 1.287 272 F CB 0.768 39.919 39.000 0.250 0.000 1.132 272 F HN 0.739 nan 8.300 nan 0.000 0.587 273 G N 0.380 109.365 108.800 0.309 0.000 3.217 273 G HA2 0.709 4.669 3.960 -0.001 0.000 0.213 273 G HA3 0.709 4.669 3.960 -0.001 0.000 0.213 273 G C -0.333 174.512 174.900 -0.092 0.000 1.294 273 G CA -0.756 44.438 45.100 0.157 0.000 0.987 273 G HN 1.670 nan 8.290 nan 0.000 0.584 274 G N -1.888 106.509 108.800 -0.671 0.000 2.629 274 G HA2 0.262 4.222 3.960 -0.001 0.000 0.686 274 G HA3 0.262 4.222 3.960 -0.001 0.000 0.686 274 G C 0.906 175.419 174.900 -0.645 0.000 1.232 274 G CA 0.615 44.834 45.100 -1.468 0.000 0.803 274 G HN 1.835 nan 8.290 nan 0.000 0.638 275 S N -1.559 113.785 115.700 -0.593 0.000 2.447 275 S HA -0.046 4.423 4.470 -0.001 0.000 0.233 275 S C 1.971 176.472 174.600 -0.164 0.000 1.006 275 S CA 2.258 60.286 58.200 -0.286 0.000 0.957 275 S CB -0.141 62.914 63.200 -0.241 0.000 0.773 275 S HN 1.171 nan 8.310 nan 0.000 0.507 276 C N -0.357 118.830 119.300 -0.189 0.000 2.478 276 C HA 0.459 4.919 4.460 -0.001 0.000 0.397 276 C C 2.161 177.222 174.990 0.117 0.000 1.360 276 C CA -0.499 58.490 59.018 -0.050 0.000 2.191 276 C CB -1.186 26.512 27.740 -0.070 0.000 2.654 276 C HN 0.465 nan 8.230 nan 0.000 0.548 277 F N 2.038 121.954 119.950 -0.057 0.000 2.069 277 F HA -0.184 4.343 4.527 -0.000 0.000 0.298 277 F C 2.644 178.462 175.800 0.030 0.000 1.113 277 F CA 1.798 59.740 58.000 -0.096 0.000 1.214 277 F CB -1.436 37.357 39.000 -0.346 0.000 0.978 277 F HN 0.347 nan 8.300 nan 0.000 0.474 278 Q N 0.844 120.872 119.800 0.379 0.000 2.030 278 Q HA -0.256 4.083 4.340 -0.001 0.000 0.204 278 Q C 2.271 178.365 176.000 0.156 0.000 0.986 278 Q CA 2.446 58.427 55.803 0.295 0.000 0.843 278 Q CB -0.195 28.675 28.738 0.221 0.000 0.904 278 Q HN 0.542 nan 8.270 nan 0.000 0.420 279 K N -0.613 119.852 120.400 0.109 0.000 2.097 279 K HA -0.167 4.153 4.320 -0.001 0.000 0.206 279 K C 1.201 177.833 176.600 0.054 0.000 1.049 279 K CA 1.729 58.053 56.287 0.062 0.000 0.933 279 K CB -0.081 32.441 32.500 0.036 0.000 0.717 279 K HN 0.149 nan 8.250 nan 0.000 0.442 280 D N 1.149 121.588 120.400 0.065 0.000 2.123 280 D HA -0.083 4.557 4.640 -0.001 0.000 0.200 280 D C 2.158 178.461 176.300 0.004 0.000 0.976 280 D CA 1.002 55.023 54.000 0.035 0.000 0.831 280 D CB -0.167 40.663 40.800 0.049 0.000 0.974 280 D HN 0.081 nan 8.370 nan 0.000 0.469 281 V N 1.209 121.133 119.914 0.016 0.000 2.343 281 V HA -0.199 3.920 4.120 -0.001 0.000 0.247 281 V C 2.619 178.746 176.094 0.054 0.000 1.051 281 V CA 1.117 63.417 62.300 -0.000 0.000 1.036 281 V CB -0.483 31.378 31.823 0.062 0.000 0.654 281 V HN 0.193 nan 8.190 nan 0.000 0.451 282 L N 0.429 121.700 121.223 0.080 0.000 2.083 282 L HA -0.173 4.167 4.340 -0.001 0.000 0.209 282 L C 2.567 179.493 176.870 0.094 0.000 1.083 282 L CA 1.593 56.488 54.840 0.091 0.000 0.752 282 L CB -0.773 41.331 42.059 0.074 0.000 0.899 282 L HN 0.429 nan 8.230 nan 0.000 0.433 283 N N 0.997 119.734 118.700 0.062 0.000 2.043 283 N HA -0.236 4.503 4.740 -0.001 0.000 0.193 283 N C 1.858 177.424 175.510 0.092 0.000 1.037 283 N CA 1.656 54.749 53.050 0.070 0.000 0.851 283 N CB -0.274 38.233 38.487 0.033 0.000 1.027 283 N HN 0.150 nan 8.380 nan 0.000 0.422 284 L N 0.651 121.890 121.223 0.028 0.000 2.012 284 L HA -0.090 4.250 4.340 -0.001 0.000 0.210 284 L C 2.383 179.288 176.870 0.057 0.000 1.073 284 L CA 1.232 56.065 54.840 -0.012 0.000 0.748 284 L CB -0.735 41.224 42.059 -0.167 0.000 0.891 284 L HN 0.025 nan 8.230 nan 0.000 0.431 285 V N -1.194 118.783 119.914 0.106 0.000 2.287 285 V HA -0.354 3.765 4.120 -0.001 0.000 0.248 285 V C 2.260 178.433 176.094 0.132 0.000 1.053 285 V CA 2.168 64.557 62.300 0.149 0.000 1.027 285 V CB -0.937 30.983 31.823 0.163 0.000 0.646 285 V HN 0.603 nan 8.190 nan 0.000 0.447 286 Y N 0.255 120.574 120.300 0.031 0.000 2.181 286 Y HA -0.200 4.350 4.550 -0.000 0.000 0.288 286 Y C 2.237 178.143 175.900 0.010 0.000 1.146 286 Y CA 1.542 59.651 58.100 0.016 0.000 1.164 286 Y CB -0.225 38.236 38.460 0.002 0.000 0.982 286 Y HN 0.127 nan 8.280 nan 0.000 0.515 287 L N -1.279 119.981 121.223 0.062 0.000 2.012 287 L HA -0.343 3.997 4.340 -0.001 0.000 0.210 287 L C 2.593 179.419 176.870 -0.074 0.000 1.073 287 L CA 1.586 56.414 54.840 -0.021 0.000 0.748 287 L CB -0.991 41.087 42.059 0.032 0.000 0.891 287 L HN 0.358 nan 8.230 nan 0.000 0.431 288 C N -0.433 118.854 119.300 -0.021 0.000 2.429 288 C HA -0.123 4.337 4.460 -0.001 0.000 0.277 288 C C 2.720 177.679 174.990 -0.053 0.000 1.262 288 C CA 0.383 59.397 59.018 -0.006 0.000 1.733 288 C CB -0.755 27.025 27.740 0.067 0.000 2.010 288 C HN 0.502 nan 8.230 nan 0.000 0.483 289 E N 1.095 121.238 120.200 -0.096 0.000 2.051 289 E HA -0.157 4.193 4.350 -0.001 0.000 0.192 289 E C 2.401 178.892 176.600 -0.182 0.000 0.991 289 E CA 1.649 57.971 56.400 -0.131 0.000 0.799 289 E CB -0.680 28.924 29.700 -0.159 0.000 0.748 289 E HN 0.667 nan 8.360 nan 0.000 0.449 290 A N 0.697 123.344 122.820 -0.288 0.000 2.019 290 A HA -0.086 4.234 4.320 -0.001 0.000 0.219 290 A C 2.059 179.557 177.584 -0.142 0.000 1.164 290 A CA 0.849 52.730 52.037 -0.260 0.000 0.644 290 A CB -0.358 18.435 19.000 -0.345 0.000 0.805 290 A HN 0.172 nan 8.150 nan 0.000 0.449 291 L N -0.837 120.320 121.223 -0.109 0.000 2.741 291 L HA 0.161 4.501 4.340 -0.001 0.000 0.237 291 L C 0.548 177.387 176.870 -0.052 0.000 1.178 291 L CA -0.123 54.675 54.840 -0.071 0.000 0.973 291 L CB -0.275 41.751 42.059 -0.055 0.000 1.255 291 L HN 0.430 nan 8.230 nan 0.000 0.498 292 N N 1.427 120.094 118.700 -0.056 0.000 2.758 292 N HA -0.211 4.528 4.740 -0.001 0.000 0.248 292 N C -0.573 174.922 175.510 -0.024 0.000 1.076 292 N CA 0.669 53.696 53.050 -0.038 0.000 0.696 292 N CB -1.157 37.310 38.487 -0.034 0.000 0.979 292 N HN 0.357 nan 8.380 nan 0.000 0.550 293 L N 0.366 121.579 121.223 -0.017 0.000 2.784 293 L HA 0.315 4.654 4.340 -0.001 0.000 0.241 293 L C -1.250 175.631 176.870 0.018 0.000 1.352 293 L CA -1.331 53.511 54.840 0.004 0.000 0.911 293 L CB 1.065 43.135 42.059 0.019 0.000 1.227 293 L HN -0.003 nan 8.230 nan 0.000 0.501 294 P HA -0.134 nan 4.420 nan 0.000 0.218 294 P C 0.930 178.249 177.300 0.033 0.000 1.149 294 P CA 1.194 64.304 63.100 0.017 0.000 0.817 294 P CB 0.606 32.308 31.700 0.004 0.000 0.785 295 E N 0.079 120.293 120.200 0.023 0.000 2.051 295 E HA -0.117 4.232 4.350 -0.001 0.000 0.192 295 E C 2.161 178.793 176.600 0.053 0.000 0.991 295 E CA 1.112 57.526 56.400 0.024 0.000 0.799 295 E CB -1.290 28.409 29.700 -0.002 0.000 0.748 295 E HN 0.027 nan 8.360 nan 0.000 0.449 296 V N 1.012 120.964 119.914 0.062 0.000 2.407 296 V HA -0.263 3.856 4.120 -0.001 0.000 0.248 296 V C 2.201 178.446 176.094 0.253 0.000 1.055 296 V CA 1.719 64.100 62.300 0.135 0.000 1.049 296 V CB -0.880 31.034 31.823 0.151 0.000 0.662 296 V HN 0.353 nan 8.190 nan 0.000 0.455 297 A N 1.575 124.502 122.820 0.178 0.000 1.877 297 A HA -0.242 4.078 4.320 -0.001 0.000 0.216 297 A C 2.378 180.059 177.584 0.162 0.000 1.186 297 A CA 2.048 54.194 52.037 0.182 0.000 0.620 297 A CB -0.513 18.548 19.000 0.101 0.000 0.822 297 A HN 0.699 nan 8.150 nan 0.000 0.443 298 R N -2.280 118.283 120.500 0.105 0.000 2.189 298 R HA -0.089 4.251 4.340 -0.001 0.000 0.218 298 R C 1.999 178.317 176.300 0.030 0.000 1.074 298 R CA 1.415 57.552 56.100 0.060 0.000 0.991 298 R CB -0.703 29.617 30.300 0.033 0.000 0.883 298 R HN 0.510 nan 8.270 nan 0.000 0.457 299 Y N 0.867 121.106 120.300 -0.101 0.000 2.089 299 Y HA -0.197 4.353 4.550 -0.001 0.000 0.282 299 Y C 1.489 177.192 175.900 -0.329 0.000 1.139 299 Y CA 1.712 59.644 58.100 -0.280 0.000 1.123 299 Y CB -0.361 37.847 38.460 -0.419 0.000 0.980 299 Y HN 0.028 nan 8.280 nan 0.000 0.493 300 W N 0.153 121.501 121.300 0.080 0.000 2.467 300 W HA -0.103 4.557 4.660 -0.001 0.000 0.275 300 W C 2.528 179.025 176.519 -0.037 0.000 1.239 300 W CA 0.983 58.321 57.345 -0.010 0.000 1.266 300 W CB -0.463 29.043 29.460 0.076 0.000 1.112 300 W HN 0.145 nan 8.180 nan 0.000 0.576 301 Q N 0.579 120.480 119.800 0.168 0.000 2.135 301 Q HA -0.243 4.096 4.340 -0.001 0.000 0.204 301 Q C 2.093 178.114 176.000 0.035 0.000 0.981 301 Q CA 1.637 57.502 55.803 0.103 0.000 0.856 301 Q CB -0.482 28.300 28.738 0.075 0.000 0.902 301 Q HN 0.151 nan 8.270 nan 0.000 0.425 302 Q N -0.625 119.141 119.800 -0.057 0.000 2.234 302 Q HA -0.114 4.226 4.340 -0.001 0.000 0.206 302 Q C 2.088 178.057 176.000 -0.051 0.000 0.980 302 Q CA 1.360 57.103 55.803 -0.100 0.000 0.869 302 Q CB -0.306 28.300 28.738 -0.220 0.000 0.912 302 Q HN 0.362 nan 8.270 nan 0.000 0.436 303 V N 0.909 120.820 119.914 -0.004 0.000 2.343 303 V HA -0.242 3.878 4.120 -0.001 0.000 0.247 303 V C 2.198 178.402 176.094 0.184 0.000 1.051 303 V CA 1.260 63.624 62.300 0.107 0.000 1.036 303 V CB -0.432 31.507 31.823 0.193 0.000 0.654 303 V HN 0.251 nan 8.190 nan 0.000 0.451 304 I N 0.099 120.763 120.570 0.156 0.000 2.333 304 I HA -0.109 4.061 4.170 -0.001 0.000 0.246 304 I C 2.241 178.372 176.117 0.023 0.000 1.106 304 I CA 1.280 62.646 61.300 0.110 0.000 1.411 304 I CB -1.421 36.643 38.000 0.107 0.000 1.082 304 I HN 0.305 nan 8.210 nan 0.000 0.420 305 D N 0.448 120.864 120.400 0.026 0.000 2.149 305 D HA -0.221 4.419 4.640 -0.001 0.000 0.198 305 D C 2.103 178.421 176.300 0.030 0.000 0.990 305 D CA 1.133 55.141 54.000 0.013 0.000 0.839 305 D CB -0.244 40.553 40.800 -0.006 0.000 0.948 305 D HN 0.176 nan 8.370 nan 0.000 0.460 306 M N 0.785 120.403 119.600 0.030 0.000 2.132 306 M HA -0.107 4.373 4.480 -0.001 0.000 0.263 306 M C 1.538 177.873 176.300 0.057 0.000 1.065 306 M CA 1.365 56.712 55.300 0.079 0.000 1.122 306 M CB -0.552 32.082 32.600 0.056 0.000 1.365 306 M HN -0.154 nan 8.290 nan 0.000 0.411 307 N N 0.410 119.077 118.700 -0.055 0.000 2.120 307 N HA -0.173 4.567 4.740 -0.001 0.000 0.188 307 N C 1.188 176.565 175.510 -0.221 0.000 1.024 307 N CA 1.875 54.767 53.050 -0.263 0.000 0.852 307 N CB -0.269 37.797 38.487 -0.701 0.000 1.003 307 N HN 0.395 nan 8.380 nan 0.000 0.424 308 D N -0.996 119.318 120.400 -0.142 0.000 2.117 308 D HA -0.179 4.461 4.640 -0.001 0.000 0.197 308 D C 1.625 177.935 176.300 0.017 0.000 0.987 308 D CA 0.793 54.744 54.000 -0.081 0.000 0.829 308 D CB -0.506 40.276 40.800 -0.030 0.000 0.961 308 D HN 0.418 nan 8.370 nan 0.000 0.460 309 Y N 1.580 121.840 120.300 -0.065 0.000 2.145 309 Y HA -0.246 4.304 4.550 -0.000 0.000 0.286 309 Y C 2.409 178.281 175.900 -0.046 0.000 1.145 309 Y CA 1.782 59.853 58.100 -0.049 0.000 1.148 309 Y CB -0.470 37.963 38.460 -0.044 0.000 0.981 309 Y HN -0.145 nan 8.280 nan 0.000 0.507 310 Q N 0.690 120.341 119.800 -0.249 0.000 2.077 310 Q HA -0.219 4.121 4.340 -0.001 0.000 0.206 310 Q C 2.307 178.177 176.000 -0.215 0.000 0.989 310 Q CA 2.349 57.969 55.803 -0.305 0.000 0.853 310 Q CB -0.220 28.417 28.738 -0.169 0.000 0.907 310 Q HN 0.518 nan 8.270 nan 0.000 0.418 311 R N -0.712 119.705 120.500 -0.139 0.000 2.070 311 R HA -0.083 4.257 4.340 -0.001 0.000 0.233 311 R C 2.525 178.821 176.300 -0.007 0.000 1.137 311 R CA 1.588 57.677 56.100 -0.018 0.000 0.945 311 R CB -0.368 29.943 30.300 0.019 0.000 0.845 311 R HN 0.195 nan 8.270 nan 0.000 0.430 312 R N 1.279 121.720 120.500 -0.098 0.000 2.091 312 R HA -0.175 4.165 4.340 -0.001 0.000 0.238 312 R C 2.399 178.509 176.300 -0.316 0.000 1.136 312 R CA 2.002 57.910 56.100 -0.320 0.000 0.959 312 R CB -0.117 30.079 30.300 -0.173 0.000 0.856 312 R HN 0.230 nan 8.270 nan 0.000 0.437 313 R N -0.913 119.406 120.500 -0.302 0.000 2.148 313 R HA -0.116 4.224 4.340 -0.001 0.000 0.223 313 R C 1.954 178.160 176.300 -0.156 0.000 1.088 313 R CA 1.238 57.168 56.100 -0.283 0.000 0.985 313 R CB -0.627 29.383 30.300 -0.483 0.000 0.880 313 R HN 0.225 nan 8.270 nan 0.000 0.451 314 F N 2.210 122.007 119.950 -0.256 0.000 2.113 314 F HA 0.064 4.591 4.527 -0.001 0.000 0.297 314 F C 2.457 178.115 175.800 -0.236 0.000 1.103 314 F CA 1.201 59.087 58.000 -0.189 0.000 1.248 314 F CB -0.465 38.456 39.000 -0.131 0.000 0.999 314 F HN 0.132 nan 8.300 nan 0.000 0.475 315 A N -0.557 122.139 122.820 -0.208 0.000 1.883 315 A HA -0.201 4.119 4.320 -0.001 0.000 0.217 315 A C 2.378 179.726 177.584 -0.393 0.000 1.186 315 A CA 2.246 54.087 52.037 -0.327 0.000 0.624 315 A CB -1.303 17.500 19.000 -0.329 0.000 0.822 315 A HN 0.419 nan 8.150 nan 0.000 0.444 316 S N -1.028 114.466 115.700 -0.343 0.000 2.402 316 S HA -0.125 4.345 4.470 -0.001 0.000 0.229 316 S C 2.062 176.495 174.600 -0.277 0.000 1.021 316 S CA 1.047 59.080 58.200 -0.278 0.000 0.974 316 S CB -0.332 62.741 63.200 -0.211 0.000 0.800 316 S HN 0.645 nan 8.310 nan 0.000 0.484 317 R N 1.165 121.485 120.500 -0.301 0.000 2.081 317 R HA -0.061 4.278 4.340 -0.001 0.000 0.235 317 R C 2.061 178.091 176.300 -0.449 0.000 1.131 317 R CA 1.348 57.285 56.100 -0.271 0.000 0.960 317 R CB -0.468 29.714 30.300 -0.196 0.000 0.856 317 R HN 0.390 nan 8.270 nan 0.000 0.436 318 I N 0.659 120.737 120.570 -0.820 0.000 2.142 318 I HA -0.310 3.859 4.170 -0.001 0.000 0.240 318 I C 2.331 178.043 176.117 -0.676 0.000 1.078 318 I CA 1.420 61.992 61.300 -1.214 0.000 1.343 318 I CB -0.225 37.038 38.000 -1.229 0.000 1.046 318 I HN 0.170 nan 8.210 nan 0.000 0.405 319 I N 0.401 120.692 120.570 -0.465 0.000 2.252 319 I HA -0.258 3.912 4.170 -0.001 0.000 0.245 319 I C 2.049 178.005 176.117 -0.268 0.000 1.102 319 I CA 1.232 62.339 61.300 -0.322 0.000 1.385 319 I CB -0.487 37.372 38.000 -0.235 0.000 1.064 319 I HN 0.206 nan 8.210 nan 0.000 0.414 320 D N 0.580 120.839 120.400 -0.235 0.000 2.097 320 D HA -0.140 4.500 4.640 -0.001 0.000 0.195 320 D C 2.402 178.586 176.300 -0.194 0.000 0.989 320 D CA 1.371 55.275 54.000 -0.160 0.000 0.827 320 D CB -0.224 40.509 40.800 -0.112 0.000 0.966 320 D HN 0.151 nan 8.370 nan 0.000 0.456 321 S N 0.119 115.666 115.700 -0.255 0.000 2.382 321 S HA -0.084 4.385 4.470 -0.001 0.000 0.228 321 S C 1.204 175.343 174.600 -0.768 0.000 1.027 321 S CA 0.351 58.356 58.200 -0.325 0.000 0.991 321 S CB -0.010 63.116 63.200 -0.124 0.000 0.823 321 S HN 0.113 nan 8.310 nan 0.000 0.469 322 L N 1.971 122.747 121.223 -0.745 0.000 2.955 322 L HA 0.357 4.697 4.340 -0.001 0.000 0.238 322 L C -0.397 176.193 176.870 -0.467 0.000 1.359 322 L CA 0.205 54.558 54.840 -0.813 0.000 1.214 322 L CB -1.805 39.930 42.059 -0.541 0.000 1.600 322 L HN 0.221 nan 8.230 nan 0.000 0.442 323 F N -0.695 119.206 119.950 -0.081 0.000 3.093 323 F HA -0.404 4.122 4.527 -0.001 0.000 0.287 323 F C 1.187 176.956 175.800 -0.053 0.000 0.882 323 F CA 0.390 58.371 58.000 -0.032 0.000 1.063 323 F CB -1.953 37.051 39.000 0.006 0.000 1.097 323 F HN 0.592 nan 8.300 nan 0.000 0.604 324 N N -1.431 117.273 118.700 0.007 0.000 2.828 324 N HA -0.205 4.534 4.740 -0.001 0.000 0.248 324 N C 0.102 175.591 175.510 -0.035 0.000 1.044 324 N CA 1.505 54.541 53.050 -0.025 0.000 0.851 324 N CB -0.944 37.549 38.487 0.011 0.000 1.136 324 N HN 0.605 nan 8.380 nan 0.000 0.572 325 T N -1.022 113.507 114.554 -0.042 0.000 3.032 325 T HA 0.497 4.846 4.350 -0.001 0.000 0.312 325 T C 0.441 175.077 174.700 -0.107 0.000 1.078 325 T CA -0.122 61.944 62.100 -0.058 0.000 1.028 325 T CB 1.754 70.610 68.868 -0.021 0.000 1.091 325 T HN 0.111 nan 8.240 nan 0.000 0.457 326 V N 1.402 121.241 119.914 -0.126 0.000 3.432 326 V HA 0.421 4.540 4.120 -0.001 0.000 0.298 326 V C 0.727 176.736 176.094 -0.143 0.000 1.464 326 V CA -0.175 62.028 62.300 -0.161 0.000 1.046 326 V CB -0.309 31.412 31.823 -0.170 0.000 0.887 326 V HN 0.833 nan 8.190 nan 0.000 0.441 327 T N 3.150 117.636 114.554 -0.114 0.000 2.866 327 T HA 0.136 4.486 4.350 -0.001 0.000 0.293 327 T C 0.558 175.188 174.700 -0.116 0.000 1.005 327 T CA 1.385 63.415 62.100 -0.116 0.000 1.162 327 T CB -0.042 68.782 68.868 -0.074 0.000 0.968 327 T HN 0.709 nan 8.240 nan 0.000 0.530 328 D N 0.465 120.749 120.400 -0.194 0.000 2.946 328 D HA -0.138 4.501 4.640 -0.001 0.000 0.202 328 D C 0.064 176.410 176.300 0.078 0.000 1.068 328 D CA 1.127 55.074 54.000 -0.088 0.000 1.011 328 D CB -0.656 40.178 40.800 0.056 0.000 1.105 328 D HN 0.585 nan 8.370 nan 0.000 0.425 329 K N 1.060 121.436 120.400 -0.041 0.000 2.227 329 K HA 0.275 4.595 4.320 -0.001 0.000 0.280 329 K C 0.524 177.225 176.600 0.168 0.000 1.041 329 K CA -0.449 55.828 56.287 -0.017 0.000 0.905 329 K CB 1.786 34.071 32.500 -0.359 0.000 1.068 329 K HN -0.015 nan 8.250 nan 0.000 0.470 330 K N 4.168 124.770 120.400 0.337 0.000 2.379 330 K HA 0.169 4.488 4.320 -0.001 0.000 0.284 330 K C -0.805 175.938 176.600 0.239 0.000 1.044 330 K CA 0.042 56.501 56.287 0.286 0.000 0.974 330 K CB 0.349 32.940 32.500 0.153 0.000 0.962 330 K HN 0.494 nan 8.250 nan 0.000 0.474 331 I N 3.728 124.423 120.570 0.208 0.000 2.499 331 I HA 0.272 4.441 4.170 -0.001 0.000 0.288 331 I C -0.479 175.743 176.117 0.175 0.000 1.048 331 I CA -0.976 60.424 61.300 0.168 0.000 1.062 331 I CB 2.028 40.091 38.000 0.105 0.000 1.238 331 I HN 0.688 nan 8.210 nan 0.000 0.426 332 A N 7.670 130.579 122.820 0.148 0.000 2.366 332 A HA 0.654 4.973 4.320 -0.001 0.000 0.272 332 A C -0.387 177.274 177.584 0.129 0.000 1.135 332 A CA -0.235 51.883 52.037 0.135 0.000 0.804 332 A CB 0.232 19.280 19.000 0.079 0.000 1.064 332 A HN 0.532 nan 8.150 nan 0.000 0.499 333 I N 4.025 124.683 120.570 0.146 0.000 2.354 333 I HA 0.225 4.395 4.170 -0.001 0.000 0.286 333 I C -0.491 175.701 176.117 0.125 0.000 1.007 333 I CA -0.092 61.299 61.300 0.151 0.000 1.167 333 I CB 0.867 38.995 38.000 0.214 0.000 1.320 333 I HN 0.503 nan 8.210 nan 0.000 0.458 334 L N 5.992 127.210 121.223 -0.008 0.000 2.264 334 L HA 0.666 5.006 4.340 -0.001 0.000 0.287 334 L C 0.502 177.352 176.870 -0.034 0.000 1.039 334 L CA -0.411 54.287 54.840 -0.237 0.000 0.829 334 L CB 1.089 42.599 42.059 -0.917 0.000 1.211 334 L HN 0.871 nan 8.230 nan 0.000 0.427 335 G N 2.108 111.149 108.800 0.401 0.000 3.355 335 G HA2 -0.209 3.751 3.960 -0.001 0.000 0.686 335 G HA3 -0.209 3.751 3.960 -0.001 0.000 0.686 335 G C -0.789 174.387 174.900 0.460 0.000 1.097 335 G CA -0.642 44.835 45.100 0.628 0.000 0.881 335 G HN 0.513 nan 8.290 nan 0.000 0.550 336 F N 2.187 122.307 119.950 0.283 0.000 2.747 336 F HA 0.638 5.165 4.527 -0.000 0.000 0.305 336 F C 1.832 177.757 175.800 0.209 0.000 1.065 336 F CA 1.208 59.322 58.000 0.190 0.000 1.230 336 F CB 0.339 39.407 39.000 0.114 0.000 1.027 336 F HN 1.000 nan 8.300 nan 0.000 0.607 337 A N 0.695 123.742 122.820 0.378 0.000 2.466 337 A HA 0.141 4.461 4.320 -0.001 0.000 0.238 337 A C 0.789 178.428 177.584 0.090 0.000 1.074 337 A CA 0.128 52.319 52.037 0.258 0.000 0.774 337 A CB -0.556 18.638 19.000 0.323 0.000 1.015 337 A HN 0.551 nan 8.150 nan 0.000 0.498 338 F N 0.175 120.112 119.950 -0.023 0.000 2.604 338 F HA 0.238 4.765 4.527 -0.001 0.000 0.298 338 F C 0.600 176.337 175.800 -0.105 0.000 1.131 338 F CA 0.634 58.592 58.000 -0.071 0.000 1.457 338 F CB -0.225 38.732 39.000 -0.072 0.000 1.095 338 F HN 0.625 nan 8.300 nan 0.000 0.574 339 K N 0.216 120.163 120.400 -0.755 0.000 2.672 339 K HA 0.303 4.623 4.320 -0.001 0.000 0.295 339 K C -1.443 174.670 176.600 -0.812 0.000 1.042 339 K CA -1.193 54.661 56.287 -0.722 0.000 0.869 339 K CB 1.108 33.100 32.500 -0.846 0.000 1.541 339 K HN 0.157 nan 8.250 nan 0.000 0.396 340 K N 0.271 120.171 120.400 -0.833 0.000 2.138 340 K HA 0.236 4.555 4.320 -0.001 0.000 0.251 340 K C -0.783 175.337 176.600 -0.800 0.000 1.015 340 K CA 0.070 55.596 56.287 -1.269 0.000 0.917 340 K CB 0.316 32.228 32.500 -0.980 0.000 1.021 340 K HN 0.658 nan 8.250 nan 0.000 0.485 341 D N -0.769 119.183 120.400 -0.747 0.000 3.068 341 D HA -0.141 4.499 4.640 -0.001 0.000 0.218 341 D C -0.898 175.511 176.300 0.182 0.000 1.145 341 D CA 1.693 55.708 54.000 0.026 0.000 0.896 341 D CB -1.305 39.485 40.800 -0.016 0.000 1.105 341 D HN 0.764 nan 8.370 nan 0.000 0.423 342 T N -2.413 112.252 114.554 0.185 0.000 2.883 342 T HA 0.596 4.946 4.350 -0.001 0.000 0.301 342 T C 0.969 175.938 174.700 0.448 0.000 1.158 342 T CA 0.095 62.385 62.100 0.315 0.000 1.007 342 T CB 1.761 70.674 68.868 0.075 0.000 1.186 342 T HN -0.060 nan 8.240 nan 0.000 0.499 343 G N 1.203 110.267 108.800 0.440 0.000 3.088 343 G HA2 0.167 4.127 3.960 -0.001 0.000 0.217 343 G HA3 0.167 4.127 3.960 -0.001 0.000 0.217 343 G C 0.231 175.321 174.900 0.316 0.000 1.159 343 G CA -0.123 45.180 45.100 0.338 0.000 0.760 343 G HN 0.667 nan 8.290 nan 0.000 0.550 344 D N 0.922 121.517 120.400 0.326 0.000 2.351 344 D HA 0.213 4.852 4.640 -0.001 0.000 0.251 344 D C 1.538 178.032 176.300 0.323 0.000 1.137 344 D CA 0.258 54.419 54.000 0.268 0.000 0.879 344 D CB 1.447 42.297 40.800 0.082 0.000 1.181 344 D HN 0.092 nan 8.370 nan 0.000 0.448 345 T N 0.470 115.169 114.554 0.241 0.000 3.044 345 T HA 0.200 4.550 4.350 -0.001 0.000 0.260 345 T C 0.847 175.602 174.700 0.092 0.000 1.019 345 T CA -0.444 61.785 62.100 0.214 0.000 0.921 345 T CB 0.040 69.077 68.868 0.281 0.000 1.053 345 T HN 0.225 nan 8.240 nan 0.000 0.533 346 R N 2.570 123.070 120.500 -0.000 0.000 2.458 346 R HA 0.095 4.435 4.340 -0.001 0.000 0.303 346 R C 0.124 176.344 176.300 -0.133 0.000 1.013 346 R CA 0.099 56.148 56.100 -0.086 0.000 1.026 346 R CB -0.002 30.203 30.300 -0.158 0.000 0.948 346 R HN 0.295 nan 8.270 nan 0.000 0.417 347 E N -0.439 119.753 120.200 -0.013 0.000 2.883 347 E HA -0.228 4.122 4.350 -0.001 0.000 0.271 347 E C -0.331 176.335 176.600 0.110 0.000 1.049 347 E CA 1.044 57.500 56.400 0.094 0.000 0.817 347 E CB -1.395 28.321 29.700 0.027 0.000 1.407 347 E HN 0.607 nan 8.360 nan 0.000 0.434 348 S N -0.278 115.460 115.700 0.064 0.000 2.549 348 S HA 0.154 4.623 4.470 -0.001 0.000 0.286 348 S C 1.494 176.139 174.600 0.075 0.000 1.314 348 S CA 0.466 58.700 58.200 0.057 0.000 1.062 348 S CB 0.953 64.114 63.200 -0.064 0.000 0.865 348 S HN 0.219 nan 8.310 nan 0.000 0.498 349 S N 3.742 119.474 115.700 0.053 0.000 2.419 349 S HA -0.094 4.376 4.470 -0.001 0.000 0.235 349 S C 2.080 176.709 174.600 0.048 0.000 1.019 349 S CA 1.419 59.655 58.200 0.060 0.000 0.982 349 S CB -0.294 62.888 63.200 -0.030 0.000 0.789 349 S HN 0.786 nan 8.310 nan 0.000 0.490 350 S N 1.655 117.294 115.700 -0.101 0.000 2.383 350 S HA -0.038 4.431 4.470 -0.001 0.000 0.229 350 S C 1.717 176.140 174.600 -0.296 0.000 1.030 350 S CA 0.985 59.056 58.200 -0.215 0.000 1.002 350 S CB -0.378 62.547 63.200 -0.458 0.000 0.829 350 S HN 0.466 nan 8.310 nan 0.000 0.467 351 I N 0.086 120.405 120.570 -0.418 0.000 2.179 351 I HA -0.221 3.949 4.170 -0.001 0.000 0.242 351 I C 2.085 178.072 176.117 -0.217 0.000 1.088 351 I CA 1.483 62.608 61.300 -0.292 0.000 1.357 351 I CB -0.419 37.374 38.000 -0.344 0.000 1.051 351 I HN 0.244 nan 8.210 nan 0.000 0.409 352 Y N 0.153 120.383 120.300 -0.118 0.000 2.163 352 Y HA -0.201 4.349 4.550 -0.000 0.000 0.288 352 Y C 2.457 178.316 175.900 -0.068 0.000 1.136 352 Y CA 1.068 59.077 58.100 -0.152 0.000 1.147 352 Y CB -0.320 38.077 38.460 -0.106 0.000 0.987 352 Y HN 0.039 nan 8.280 nan 0.000 0.509 353 I N -0.742 119.963 120.570 0.226 0.000 2.226 353 I HA -0.273 3.897 4.170 -0.001 0.000 0.245 353 I C 2.295 178.514 176.117 0.170 0.000 1.100 353 I CA 1.343 62.804 61.300 0.270 0.000 1.374 353 I CB -1.508 36.647 38.000 0.258 0.000 1.057 353 I HN 0.123 nan 8.210 nan 0.000 0.413 354 S N 0.729 116.500 115.700 0.119 0.000 2.368 354 S HA -0.172 4.297 4.470 -0.001 0.000 0.225 354 S C 1.944 176.574 174.600 0.051 0.000 1.030 354 S CA 1.230 59.500 58.200 0.116 0.000 0.999 354 S CB -0.162 63.162 63.200 0.207 0.000 0.844 354 S HN 0.442 nan 8.310 nan 0.000 0.459 355 K N -0.002 120.377 120.400 -0.034 0.000 2.097 355 K HA -0.059 4.260 4.320 -0.001 0.000 0.205 355 K C 1.837 178.394 176.600 -0.071 0.000 1.050 355 K CA 1.209 57.432 56.287 -0.106 0.000 0.938 355 K CB -0.288 32.067 32.500 -0.243 0.000 0.718 355 K HN 0.465 nan 8.250 nan 0.000 0.442 356 Y N 0.959 121.261 120.300 0.004 0.000 2.224 356 Y HA -0.183 4.366 4.550 -0.001 0.000 0.289 356 Y C 2.104 177.980 175.900 -0.041 0.000 1.146 356 Y CA 0.616 58.709 58.100 -0.012 0.000 1.182 356 Y CB -0.008 38.447 38.460 -0.009 0.000 0.983 356 Y HN -0.018 nan 8.280 nan 0.000 0.524 357 L N -1.106 120.186 121.223 0.114 0.000 2.131 357 L HA -0.178 4.162 4.340 -0.001 0.000 0.206 357 L C 2.202 179.072 176.870 -0.000 0.000 1.087 357 L CA 0.850 55.704 54.840 0.023 0.000 0.767 357 L CB -0.392 41.668 42.059 0.003 0.000 0.917 357 L HN 0.315 nan 8.230 nan 0.000 0.441 358 M N -0.265 119.342 119.600 0.010 0.000 2.159 358 M HA -0.215 4.265 4.480 -0.001 0.000 0.263 358 M C 1.642 177.933 176.300 -0.015 0.000 1.063 358 M CA 1.532 56.826 55.300 -0.010 0.000 1.110 358 M CB -0.459 32.137 32.600 -0.007 0.000 1.374 358 M HN 0.151 nan 8.290 nan 0.000 0.411 359 D N 0.353 120.755 120.400 0.004 0.000 2.221 359 D HA -0.146 4.493 4.640 -0.001 0.000 0.204 359 D C 1.782 178.081 176.300 -0.003 0.000 0.982 359 D CA 1.078 55.085 54.000 0.011 0.000 0.857 359 D CB -0.258 40.574 40.800 0.053 0.000 0.934 359 D HN 0.390 nan 8.370 nan 0.000 0.475 360 E N -0.502 119.689 120.200 -0.015 0.000 2.478 360 E HA 0.119 4.469 4.350 -0.001 0.000 0.194 360 E C 1.380 177.937 176.600 -0.072 0.000 1.045 360 E CA 0.566 56.940 56.400 -0.043 0.000 0.868 360 E CB 0.363 30.027 29.700 -0.060 0.000 0.885 360 E HN 0.299 nan 8.360 nan 0.000 0.505 361 G N 1.460 110.211 108.800 -0.083 0.000 2.137 361 G HA2 -0.265 3.695 3.960 -0.001 0.000 0.237 361 G HA3 -0.265 3.695 3.960 -0.001 0.000 0.237 361 G C 0.454 175.207 174.900 -0.245 0.000 1.002 361 G CA 0.210 45.228 45.100 -0.137 0.000 0.702 361 G HN 0.500 nan 8.290 nan 0.000 0.515 362 A N 0.196 122.908 122.820 -0.180 0.000 2.366 362 A HA 0.610 4.930 4.320 -0.001 0.000 0.249 362 A C 0.310 177.779 177.584 -0.192 0.000 1.084 362 A CA -0.210 51.718 52.037 -0.180 0.000 0.794 362 A CB 0.253 19.208 19.000 -0.076 0.000 1.034 362 A HN 0.489 nan 8.150 nan 0.000 0.491 363 H N 1.683 120.795 119.070 0.070 0.000 2.641 363 H HA 0.355 4.910 4.556 -0.001 0.000 0.295 363 H C -0.616 174.818 175.328 0.176 0.000 1.070 363 H CA -0.122 55.991 56.048 0.108 0.000 1.257 363 H CB 0.505 30.360 29.762 0.155 0.000 1.393 363 H HN 0.436 nan 8.280 nan 0.000 0.464 364 L N 4.066 125.416 121.223 0.212 0.000 2.312 364 L HA 0.303 4.643 4.340 -0.001 0.000 0.281 364 L C 0.484 177.430 176.870 0.126 0.000 1.070 364 L CA -0.402 54.548 54.840 0.184 0.000 0.805 364 L CB 1.008 43.131 42.059 0.107 0.000 1.174 364 L HN 0.515 nan 8.230 nan 0.000 0.434 365 H N 4.661 123.782 119.070 0.085 0.000 2.708 365 H HA 0.462 5.018 4.556 -0.001 0.000 0.320 365 H C -0.719 174.656 175.328 0.078 0.000 0.991 365 H CA -0.508 55.581 56.048 0.068 0.000 1.243 365 H CB 2.095 31.896 29.762 0.066 0.000 1.446 365 H HN 0.423 nan 8.280 nan 0.000 0.502 366 I N 3.893 124.532 120.570 0.115 0.000 2.354 366 I HA 0.142 4.312 4.170 -0.001 0.000 0.292 366 I C -0.793 175.403 176.117 0.131 0.000 0.989 366 I CA -0.772 60.592 61.300 0.105 0.000 1.188 366 I CB 1.226 39.214 38.000 -0.021 0.000 1.342 366 I HN 0.465 nan 8.210 nan 0.000 0.457 367 Y N 6.272 126.609 120.300 0.061 0.000 2.376 367 Y HA 0.508 5.057 4.550 -0.001 0.000 0.340 367 Y C -1.236 174.742 175.900 0.129 0.000 0.965 367 Y CA -0.636 57.498 58.100 0.057 0.000 1.078 367 Y CB 1.471 39.959 38.460 0.047 0.000 1.193 367 Y HN 0.526 nan 8.280 nan 0.000 0.452 368 D N 7.502 127.339 120.400 -0.940 0.000 2.990 368 D HA 0.254 4.893 4.640 -0.001 0.000 0.227 368 D C -2.327 173.299 176.300 -1.123 0.000 1.249 368 D CA -1.870 51.679 54.000 -0.751 0.000 0.891 368 D CB 3.201 43.914 40.800 -0.146 0.000 1.647 368 D HN 0.367 nan 8.370 nan 0.000 0.530 369 P HA -0.023 nan 4.420 nan 0.000 0.223 369 P C 0.733 177.632 177.300 -0.669 0.000 1.151 369 P CA 0.836 63.431 63.100 -0.843 0.000 0.787 369 P CB 0.816 31.941 31.700 -0.958 0.000 0.788 370 K N -1.320 118.698 120.400 -0.637 0.000 2.462 370 K HA 0.165 4.485 4.320 -0.001 0.000 0.201 370 K C 0.264 176.781 176.600 -0.138 0.000 1.268 370 K CA 0.178 56.250 56.287 -0.359 0.000 0.933 370 K CB 0.267 32.618 32.500 -0.249 0.000 1.162 370 K HN -0.165 nan 8.250 nan 0.000 0.527 371 V N 4.790 124.662 119.914 -0.070 0.000 2.521 371 V HA 0.148 4.268 4.120 -0.001 0.000 0.286 371 V C -2.196 173.861 176.094 -0.062 0.000 1.034 371 V CA -1.424 60.888 62.300 0.020 0.000 1.045 371 V CB 0.497 32.400 31.823 0.133 0.000 0.974 371 V HN 0.185 nan 8.190 nan 0.000 0.480 372 P HA 0.184 nan 4.420 nan 0.000 0.271 372 P C 0.632 177.884 177.300 -0.080 0.000 1.216 372 P CA -0.524 62.539 63.100 -0.061 0.000 0.776 372 P CB 0.534 32.211 31.700 -0.038 0.000 0.881 373 R N 1.949 122.391 120.500 -0.096 0.000 2.127 373 R HA -0.199 4.141 4.340 -0.001 0.000 0.238 373 R C 1.076 177.312 176.300 -0.107 0.000 1.134 373 R CA 1.547 57.577 56.100 -0.117 0.000 0.975 373 R CB -0.818 29.424 30.300 -0.095 0.000 0.865 373 R HN 0.276 nan 8.270 nan 0.000 0.447 374 E N 0.945 121.102 120.200 -0.072 0.000 2.110 374 E HA -0.228 4.122 4.350 -0.001 0.000 0.193 374 E C 1.997 178.569 176.600 -0.047 0.000 0.988 374 E CA 1.515 57.883 56.400 -0.054 0.000 0.804 374 E CB -0.143 29.535 29.700 -0.037 0.000 0.745 374 E HN 0.359 nan 8.360 nan 0.000 0.458 375 Q N 0.473 120.252 119.800 -0.034 0.000 2.119 375 Q HA -0.046 4.293 4.340 -0.001 0.000 0.201 375 Q C 1.886 177.873 176.000 -0.022 0.000 0.972 375 Q CA 1.265 57.070 55.803 0.004 0.000 0.847 375 Q CB -0.154 28.615 28.738 0.053 0.000 0.903 375 Q HN 0.368 nan 8.270 nan 0.000 0.433 376 I N -0.700 119.780 120.570 -0.149 0.000 2.163 376 I HA -0.277 3.893 4.170 -0.001 0.000 0.243 376 I C 2.035 178.010 176.117 -0.237 0.000 1.085 376 I CA 1.010 62.068 61.300 -0.405 0.000 1.347 376 I CB -0.435 37.153 38.000 -0.687 0.000 1.044 376 I HN 0.049 nan 8.210 nan 0.000 0.408 377 V N 0.506 120.325 119.914 -0.158 0.000 2.287 377 V HA -0.249 3.871 4.120 -0.001 0.000 0.248 377 V C 2.478 178.543 176.094 -0.048 0.000 1.053 377 V CA 1.651 63.893 62.300 -0.097 0.000 1.027 377 V CB -0.527 31.250 31.823 -0.078 0.000 0.646 377 V HN 0.248 nan 8.190 nan 0.000 0.447 378 V N 0.192 120.090 119.914 -0.028 0.000 2.343 378 V HA -0.269 3.851 4.120 -0.001 0.000 0.247 378 V C 2.298 178.403 176.094 0.018 0.000 1.051 378 V CA 2.243 64.543 62.300 -0.000 0.000 1.036 378 V CB -0.716 31.115 31.823 0.012 0.000 0.654 378 V HN 0.561 nan 8.190 nan 0.000 0.451 379 D N -0.026 120.406 120.400 0.052 0.000 2.144 379 D HA -0.094 4.546 4.640 -0.001 0.000 0.199 379 D C 1.908 178.245 176.300 0.062 0.000 0.984 379 D CA 1.228 55.288 54.000 0.099 0.000 0.834 379 D CB -0.076 40.896 40.800 0.287 0.000 0.955 379 D HN 0.367 nan 8.370 nan 0.000 0.465 380 L N 0.059 121.312 121.223 0.050 0.000 2.567 380 L HA 0.092 4.432 4.340 -0.001 0.000 0.225 380 L C 0.786 177.647 176.870 -0.014 0.000 1.119 380 L CA 0.023 54.876 54.840 0.021 0.000 0.871 380 L CB 0.240 42.314 42.059 0.025 0.000 1.036 380 L HN -0.218 nan 8.230 nan 0.000 0.459 381 S N -1.377 114.314 115.700 -0.015 0.000 2.632 381 S HA 0.410 4.879 4.470 -0.001 0.000 0.271 381 S C 0.516 175.104 174.600 -0.019 0.000 1.260 381 S CA -0.345 57.844 58.200 -0.018 0.000 1.010 381 S CB 0.582 63.773 63.200 -0.015 0.000 0.965 381 S HN 0.436 nan 8.310 nan 0.000 0.534 390 Q N -0.383 119.415 119.800 -0.003 0.000 2.096 390 Q HA -0.089 4.250 4.340 -0.001 0.000 0.204 390 Q C 2.033 178.033 176.000 0.001 0.000 0.982 390 Q CA 2.445 58.248 55.803 -0.001 0.000 0.850 390 Q CB -0.040 28.693 28.738 -0.008 0.000 0.901 390 Q HN 0.403 nan 8.270 nan 0.000 0.422 391 V N -0.025 119.884 119.914 -0.009 0.000 2.295 391 V HA -0.260 3.860 4.120 -0.001 0.000 0.246 391 V C 2.238 178.321 176.094 -0.018 0.000 1.049 391 V CA 1.962 64.252 62.300 -0.017 0.000 1.024 391 V CB -0.629 31.177 31.823 -0.028 0.000 0.648 391 V HN 0.298 nan 8.190 nan 0.000 0.447 392 S N -0.464 115.227 115.700 -0.014 0.000 2.368 392 S HA -0.182 4.287 4.470 -0.001 0.000 0.225 392 S C 2.110 176.709 174.600 -0.001 0.000 1.030 392 S CA 1.532 59.723 58.200 -0.015 0.000 0.999 392 S CB -0.288 62.905 63.200 -0.011 0.000 0.844 392 S HN 0.549 nan 8.310 nan 0.000 0.459 393 R N 0.272 120.784 120.500 0.019 0.000 2.115 393 R HA 0.157 4.497 4.340 -0.001 0.000 0.226 393 R C 1.537 177.905 176.300 0.114 0.000 1.100 393 R CA 0.877 57.009 56.100 0.055 0.000 0.980 393 R CB -0.120 30.216 30.300 0.059 0.000 0.875 393 R HN 0.357 nan 8.270 nan 0.000 0.445 394 L N -0.292 120.986 121.223 0.093 0.000 2.781 394 L HA 0.252 4.591 4.340 -0.001 0.000 0.245 394 L C -0.265 176.656 176.870 0.084 0.000 1.118 394 L CA -0.138 54.797 54.840 0.158 0.000 0.918 394 L CB 1.240 43.337 42.059 0.062 0.000 1.246 394 L HN -0.150 nan 8.230 nan 0.000 0.526 395 V N 0.018 119.927 119.914 -0.008 0.000 2.495 395 V HA 0.447 4.567 4.120 -0.001 0.000 0.298 395 V C -0.264 175.732 176.094 -0.163 0.000 1.031 395 V CA -0.288 61.967 62.300 -0.075 0.000 0.871 395 V CB 1.837 33.622 31.823 -0.063 0.000 0.988 395 V HN 0.053 nan 8.190 nan 0.000 0.432 396 T N 5.687 120.066 114.554 -0.292 0.000 2.841 396 T HA 0.686 5.035 4.350 -0.001 0.000 0.283 396 T C -0.486 174.093 174.700 -0.201 0.000 1.000 396 T CA -0.267 61.635 62.100 -0.330 0.000 0.977 396 T CB 1.584 70.047 68.868 -0.675 0.000 0.979 396 T HN 0.362 nan 8.240 nan 0.000 0.446 397 I N 2.434 122.931 120.570 -0.121 0.000 2.330 397 I HA 0.330 4.500 4.170 -0.001 0.000 0.289 397 I C 0.402 176.518 176.117 -0.003 0.000 1.001 397 I CA -0.257 60.998 61.300 -0.075 0.000 1.193 397 I CB 1.422 39.355 38.000 -0.113 0.000 1.345 397 I HN 0.525 nan 8.210 nan 0.000 0.461 398 S N 4.089 119.835 115.700 0.076 0.000 2.616 398 S HA 0.393 4.863 4.470 -0.001 0.000 0.277 398 S C 1.198 175.908 174.600 0.183 0.000 1.234 398 S CA -0.580 57.705 58.200 0.142 0.000 1.028 398 S CB 1.712 65.029 63.200 0.195 0.000 0.988 398 S HN 0.719 nan 8.310 nan 0.000 0.522 399 K N 0.819 121.305 120.400 0.144 0.000 2.243 399 K HA 0.109 4.429 4.320 -0.001 0.000 0.201 399 K C 0.219 176.942 176.600 0.206 0.000 1.051 399 K CA 1.590 57.964 56.287 0.144 0.000 0.970 399 K CB -0.697 31.846 32.500 0.073 0.000 0.755 399 K HN 0.920 nan 8.250 nan 0.000 0.465 400 D N -3.762 116.692 120.400 0.090 0.000 2.602 400 D HA 0.284 4.923 4.640 -0.001 0.000 0.236 400 D C -2.490 173.566 176.300 -0.408 0.000 1.209 400 D CA -1.507 52.371 54.000 -0.203 0.000 0.831 400 D CB 2.113 42.881 40.800 -0.053 0.000 1.478 400 D HN -0.138 nan 8.370 nan 0.000 0.438 401 P HA -0.130 nan 4.420 nan 0.000 0.221 401 P C 0.756 177.783 177.300 -0.456 0.000 1.150 401 P CA 1.027 63.722 63.100 -0.674 0.000 0.800 401 P CB -0.046 31.183 31.700 -0.786 0.000 0.787 402 Y N 0.850 121.039 120.300 -0.184 0.000 2.242 402 Y HA -0.082 4.468 4.550 -0.000 0.000 0.291 402 Y C 2.698 178.554 175.900 -0.074 0.000 1.137 402 Y CA 1.093 59.125 58.100 -0.113 0.000 1.181 402 Y CB -1.057 37.342 38.460 -0.103 0.000 0.989 402 Y HN 0.016 nan 8.280 nan 0.000 0.527 403 E N -0.065 120.176 120.200 0.068 0.000 2.077 403 E HA -0.230 4.120 4.350 -0.001 0.000 0.193 403 E C 2.400 179.013 176.600 0.021 0.000 0.989 403 E CA 0.994 57.423 56.400 0.048 0.000 0.800 403 E CB -0.226 29.514 29.700 0.067 0.000 0.746 403 E HN 0.459 nan 8.360 nan 0.000 0.452 404 A N 0.238 123.073 122.820 0.025 0.000 1.933 404 A HA -0.180 4.140 4.320 -0.001 0.000 0.218 404 A C 2.270 179.839 177.584 -0.026 0.000 1.175 404 A CA 1.208 53.276 52.037 0.052 0.000 0.628 404 A CB -0.475 18.581 19.000 0.094 0.000 0.814 404 A HN 0.389 nan 8.150 nan 0.000 0.444 405 C N -0.150 119.129 119.300 -0.035 0.000 2.594 405 C HA 0.099 4.558 4.460 -0.001 0.000 0.265 405 C C 0.891 175.872 174.990 -0.015 0.000 1.351 405 C CA -0.528 58.484 59.018 -0.010 0.000 1.744 405 C CB -1.157 26.582 27.740 -0.001 0.000 1.890 405 C HN 0.553 nan 8.230 nan 0.000 0.551 406 D N 0.628 121.007 120.400 -0.034 0.000 2.389 406 D HA 0.322 4.961 4.640 -0.001 0.000 0.263 406 D C 1.262 177.509 176.300 -0.088 0.000 1.255 406 D CA 1.513 55.489 54.000 -0.041 0.000 0.914 406 D CB 0.011 40.794 40.800 -0.027 0.000 1.116 406 D HN 0.531 nan 8.370 nan 0.000 0.502 407 G N 2.800 111.553 108.800 -0.077 0.000 2.148 407 G HA2 -0.178 3.781 3.960 -0.001 0.000 0.254 407 G HA3 -0.178 3.781 3.960 -0.001 0.000 0.254 407 G C 0.475 175.317 174.900 -0.097 0.000 0.981 407 G CA 0.330 45.371 45.100 -0.098 0.000 0.670 407 G HN 0.881 nan 8.290 nan 0.000 0.528 408 A N -0.373 122.412 122.820 -0.059 0.000 2.371 408 A HA 0.657 4.977 4.320 -0.001 0.000 0.257 408 A C 1.099 178.704 177.584 0.035 0.000 1.089 408 A CA 0.364 52.415 52.037 0.025 0.000 0.794 408 A CB 0.247 19.283 19.000 0.060 0.000 1.029 408 A HN 0.447 nan 8.150 nan 0.000 0.488 409 H N 0.788 119.926 119.070 0.114 0.000 2.448 409 H HA 0.254 4.810 4.556 -0.001 0.000 0.292 409 H C 0.742 176.236 175.328 0.276 0.000 1.035 409 H CA 1.439 57.594 56.048 0.178 0.000 1.349 409 H CB 0.437 30.292 29.762 0.155 0.000 1.425 409 H HN 0.761 nan 8.280 nan 0.000 0.539 410 A N 0.743 123.778 122.820 0.358 0.000 2.549 410 A HA 0.507 4.827 4.320 -0.001 0.000 0.297 410 A C -1.132 176.619 177.584 0.279 0.000 1.061 410 A CA -0.534 51.733 52.037 0.384 0.000 0.690 410 A CB 1.824 21.081 19.000 0.428 0.000 1.287 410 A HN -0.030 nan 8.150 nan 0.000 0.402 411 V N 1.662 121.737 119.914 0.269 0.000 2.409 411 V HA 0.534 4.654 4.120 -0.001 0.000 0.291 411 V C -0.536 175.688 176.094 0.216 0.000 1.020 411 V CA -0.537 61.869 62.300 0.176 0.000 0.848 411 V CB 1.460 33.350 31.823 0.112 0.000 0.990 411 V HN 0.669 nan 8.190 nan 0.000 0.430 412 V N 6.465 126.487 119.914 0.181 0.000 2.350 412 V HA 0.477 4.596 4.120 -0.001 0.000 0.285 412 V C -0.123 176.061 176.094 0.150 0.000 1.014 412 V CA -0.376 62.062 62.300 0.229 0.000 0.831 412 V CB 1.585 33.521 31.823 0.188 0.000 1.000 412 V HN 0.695 nan 8.190 nan 0.000 0.433 413 I N 4.174 124.840 120.570 0.161 0.000 2.312 413 I HA 0.241 4.410 4.170 -0.001 0.000 0.291 413 I C 0.607 176.805 176.117 0.135 0.000 1.031 413 I CA 0.016 61.353 61.300 0.062 0.000 1.293 413 I CB 1.100 39.132 38.000 0.053 0.000 1.403 413 I HN 0.669 nan 8.210 nan 0.000 0.484 414 C N 3.077 122.456 119.300 0.132 0.000 3.188 414 C HA 0.197 4.656 4.460 -0.001 0.000 0.315 414 C C 0.921 175.972 174.990 0.101 0.000 1.285 414 C CA 0.220 59.300 59.018 0.103 0.000 1.729 414 C CB -0.017 27.794 27.740 0.119 0.000 2.257 414 C HN 0.740 nan 8.230 nan 0.000 0.645 415 T N 1.575 116.266 114.554 0.227 0.000 2.886 415 T HA 0.219 4.569 4.350 -0.001 0.000 0.292 415 T C 0.147 174.980 174.700 0.221 0.000 1.012 415 T CA -0.184 62.014 62.100 0.164 0.000 0.982 415 T CB 1.428 70.431 68.868 0.225 0.000 1.018 415 T HN 0.326 nan 8.240 nan 0.000 0.451 416 E N 1.796 121.964 120.200 -0.054 0.000 2.351 416 E HA -0.010 4.340 4.350 -0.001 0.000 0.236 416 E C -0.866 175.671 176.600 -0.106 0.000 1.341 416 E CA -0.584 55.806 56.400 -0.016 0.000 1.579 416 E CB -0.287 29.367 29.700 -0.078 0.000 1.393 416 E HN 0.620 nan 8.360 nan 0.000 0.438 417 W N 1.467 122.714 121.300 -0.088 0.000 2.257 417 W HA 0.021 4.681 4.660 -0.000 0.000 0.337 417 W C 1.107 177.449 176.519 -0.295 0.000 1.321 417 W CA -0.330 56.831 57.345 -0.307 0.000 1.267 417 W CB 0.553 29.616 29.460 -0.662 0.000 1.187 417 W HN 0.092 nan 8.180 nan 0.000 0.565 418 D N 2.445 122.886 120.400 0.069 0.000 2.190 418 D HA -0.246 4.393 4.640 -0.001 0.000 0.200 418 D C 2.215 178.526 176.300 0.019 0.000 0.992 418 D CA 2.007 56.033 54.000 0.043 0.000 0.854 418 D CB -0.283 40.550 40.800 0.056 0.000 0.936 418 D HN 0.549 nan 8.370 nan 0.000 0.462 419 M N -1.421 118.138 119.600 -0.070 0.000 2.279 419 M HA -0.085 4.394 4.480 -0.001 0.000 0.264 419 M C 1.582 177.916 176.300 0.057 0.000 1.062 419 M CA 1.188 56.452 55.300 -0.060 0.000 1.099 419 M CB -0.537 31.983 32.600 -0.134 0.000 1.394 419 M HN -0.207 nan 8.290 nan 0.000 0.426 420 F N 1.753 121.791 119.950 0.146 0.000 2.171 420 F HA -0.024 4.503 4.527 -0.001 0.000 0.300 420 F C 2.609 178.523 175.800 0.191 0.000 1.090 420 F CA 1.137 59.219 58.000 0.137 0.000 1.293 420 F CB -1.160 37.953 39.000 0.187 0.000 1.013 420 F HN 0.247 nan 8.300 nan 0.000 0.486 421 K N 0.502 121.103 120.400 0.335 0.000 2.209 421 K HA -0.164 4.156 4.320 -0.001 0.000 0.204 421 K C 1.056 177.812 176.600 0.260 0.000 1.048 421 K CA 1.303 57.750 56.287 0.266 0.000 0.940 421 K CB 0.022 32.622 32.500 0.167 0.000 0.729 421 K HN 0.183 nan 8.250 nan 0.000 0.451 422 E N 0.656 120.970 120.200 0.191 0.000 2.463 422 E HA 0.083 4.432 4.350 -0.001 0.000 0.193 422 E C 0.350 177.011 176.600 0.102 0.000 1.041 422 E CA -0.042 56.440 56.400 0.136 0.000 0.879 422 E CB 0.144 29.898 29.700 0.090 0.000 0.997 422 E HN 0.303 nan 8.360 nan 0.000 0.478 423 L N 1.471 122.716 121.223 0.037 0.000 2.473 423 L HA 0.059 4.399 4.340 -0.001 0.000 0.268 423 L C 0.853 177.636 176.870 -0.145 0.000 1.215 423 L CA -0.224 54.508 54.840 -0.179 0.000 0.823 423 L CB 0.318 41.998 42.059 -0.631 0.000 1.099 423 L HN -0.157 nan 8.230 nan 0.000 0.483 424 D N 0.792 121.219 120.400 0.046 0.000 2.455 424 D HA 0.011 4.651 4.640 -0.001 0.000 0.234 424 D C 0.549 176.892 176.300 0.072 0.000 1.224 424 D CA 0.230 54.290 54.000 0.101 0.000 0.999 424 D CB 0.205 41.068 40.800 0.105 0.000 1.072 424 D HN 0.278 nan 8.370 nan 0.000 0.514 425 Y N 1.617 122.030 120.300 0.189 0.000 2.516 425 Y HA -0.046 4.504 4.550 -0.001 0.000 0.291 425 Y C 2.538 178.657 175.900 0.365 0.000 1.131 425 Y CA 1.207 59.453 58.100 0.243 0.000 1.281 425 Y CB 0.028 38.548 38.460 0.100 0.000 1.013 425 Y HN 0.501 nan 8.280 nan 0.000 0.554 426 E N 1.292 121.695 120.200 0.337 0.000 2.047 426 E HA -0.227 4.123 4.350 -0.001 0.000 0.191 426 E C 2.067 178.783 176.600 0.193 0.000 0.987 426 E CA 1.480 58.015 56.400 0.225 0.000 0.799 426 E CB -0.741 29.036 29.700 0.129 0.000 0.752 426 E HN 0.523 nan 8.360 nan 0.000 0.449 427 R N -0.194 120.396 120.500 0.151 0.000 2.083 427 R HA -0.085 4.255 4.340 -0.001 0.000 0.237 427 R C 2.524 178.917 176.300 0.156 0.000 1.137 427 R CA 1.850 58.011 56.100 0.101 0.000 0.951 427 R CB -0.552 29.760 30.300 0.020 0.000 0.851 427 R HN 0.471 nan 8.270 nan 0.000 0.434 428 I N 0.026 120.748 120.570 0.254 0.000 2.163 428 I HA -0.329 3.840 4.170 -0.001 0.000 0.243 428 I C 2.723 178.995 176.117 0.259 0.000 1.085 428 I CA 1.559 63.025 61.300 0.276 0.000 1.347 428 I CB -0.616 37.557 38.000 0.289 0.000 1.044 428 I HN 0.402 nan 8.210 nan 0.000 0.408 429 H N 1.966 121.161 119.070 0.209 0.000 2.352 429 H HA -0.190 4.366 4.556 -0.001 0.000 0.299 429 H C 2.159 177.419 175.328 -0.112 0.000 1.097 429 H CA 1.771 57.733 56.048 -0.145 0.000 1.311 429 H CB 0.141 29.633 29.762 -0.451 0.000 1.377 429 H HN 0.283 nan 8.280 nan 0.000 0.504 430 K N 0.158 120.566 120.400 0.013 0.000 2.113 430 K HA -0.114 4.205 4.320 -0.001 0.000 0.208 430 K C 1.908 178.453 176.600 -0.091 0.000 1.047 430 K CA 1.204 57.468 56.287 -0.037 0.000 0.928 430 K CB 0.130 32.637 32.500 0.011 0.000 0.716 430 K HN 0.217 nan 8.250 nan 0.000 0.446 431 K N -0.161 120.203 120.400 -0.059 0.000 2.374 431 K HA 0.182 4.502 4.320 -0.001 0.000 0.196 431 K C 0.619 177.167 176.600 -0.086 0.000 1.023 431 K CA 0.073 56.324 56.287 -0.059 0.000 1.103 431 K CB 0.415 32.905 32.500 -0.017 0.000 0.848 431 K HN 0.166 nan 8.250 nan 0.000 0.528 432 M N 1.399 120.923 119.600 -0.127 0.000 2.255 432 M HA 0.195 4.674 4.480 -0.001 0.000 0.336 432 M C 0.405 176.578 176.300 -0.211 0.000 1.135 432 M CA -0.300 54.915 55.300 -0.141 0.000 1.145 432 M CB 0.728 33.266 32.600 -0.102 0.000 1.473 432 M HN -0.113 nan 8.290 nan 0.000 0.462 433 L N 2.193 123.280 121.223 -0.226 0.000 2.472 433 L HA 0.218 4.558 4.340 -0.001 0.000 0.260 433 L C 0.164 176.916 176.870 -0.197 0.000 1.209 433 L CA -0.216 54.463 54.840 -0.269 0.000 0.817 433 L CB 0.152 41.898 42.059 -0.521 0.000 1.106 433 L HN 0.501 nan 8.230 nan 0.000 0.479 434 K N 1.629 121.959 120.400 -0.116 0.000 2.324 434 K HA 0.504 4.823 4.320 -0.001 0.000 0.253 434 K C -2.272 174.389 176.600 0.101 0.000 0.932 434 K CA -1.679 54.574 56.287 -0.057 0.000 0.799 434 K CB 1.307 33.750 32.500 -0.096 0.000 1.154 434 K HN 0.376 nan 8.250 nan 0.000 0.425 435 P HA 0.285 nan 4.420 nan 0.000 0.275 435 P C -0.977 176.269 177.300 -0.090 0.000 1.228 435 P CA -0.529 62.550 63.100 -0.035 0.000 0.786 435 P CB 0.738 32.384 31.700 -0.090 0.000 0.927 436 A N 2.518 125.205 122.820 -0.221 0.000 2.290 436 A HA 0.620 4.939 4.320 -0.001 0.000 0.310 436 A C -0.759 176.763 177.584 -0.104 0.000 1.202 436 A CA -0.491 51.509 52.037 -0.061 0.000 0.837 436 A CB -0.068 18.827 19.000 -0.175 0.000 1.139 436 A HN 0.420 nan 8.150 nan 0.000 0.509 437 F N 1.260 121.295 119.950 0.142 0.000 2.522 437 F HA 0.626 5.152 4.527 -0.001 0.000 0.324 437 F C 0.147 175.884 175.800 -0.105 0.000 1.077 437 F CA -0.583 57.376 58.000 -0.068 0.000 0.944 437 F CB 1.906 40.771 39.000 -0.225 0.000 1.175 437 F HN 0.335 nan 8.300 nan 0.000 0.468 438 I N 2.921 123.374 120.570 -0.195 0.000 2.436 438 I HA 0.340 4.510 4.170 -0.001 0.000 0.289 438 I C -1.338 174.509 176.117 -0.450 0.000 1.010 438 I CA -0.578 60.570 61.300 -0.254 0.000 1.098 438 I CB 1.540 39.296 38.000 -0.407 0.000 1.266 438 I HN 0.374 nan 8.210 nan 0.000 0.434 439 F N 3.811 123.783 119.950 0.037 0.000 2.382 439 F HA 0.259 4.785 4.527 -0.001 0.000 0.361 439 F C 0.185 176.107 175.800 0.204 0.000 1.109 439 F CA -0.761 57.283 58.000 0.073 0.000 1.031 439 F CB 0.857 39.791 39.000 -0.110 0.000 1.234 439 F HN 0.347 nan 8.300 nan 0.000 0.445 440 D N 2.590 123.163 120.400 0.289 0.000 2.411 440 D HA 0.216 4.856 4.640 -0.001 0.000 0.225 440 D C 1.071 177.504 176.300 0.222 0.000 1.156 440 D CA -0.092 54.036 54.000 0.213 0.000 0.874 440 D CB 1.442 42.302 40.800 0.100 0.000 1.034 440 D HN 0.703 nan 8.370 nan 0.000 0.502 441 G N 3.324 112.195 108.800 0.119 0.000 2.985 441 G HA2 -0.074 3.886 3.960 -0.001 0.000 0.209 441 G HA3 -0.074 3.886 3.960 -0.001 0.000 0.209 441 G C 1.189 175.975 174.900 -0.190 0.000 1.165 441 G CA -0.080 44.820 45.100 -0.333 0.000 0.776 441 G HN 0.307 nan 8.290 nan 0.000 0.541 442 R N -0.494 119.983 120.500 -0.039 0.000 2.531 442 R HA 0.191 4.531 4.340 -0.001 0.000 0.316 442 R C 0.646 176.950 176.300 0.006 0.000 0.955 442 R CA -0.438 55.649 56.100 -0.022 0.000 1.120 442 R CB 0.238 30.552 30.300 0.023 0.000 1.361 442 R HN 0.131 nan 8.270 nan 0.000 0.534 443 R N 0.135 120.655 120.500 0.032 0.000 3.875 443 R HA -0.106 4.233 4.340 -0.001 0.000 0.321 443 R C 1.128 177.462 176.300 0.057 0.000 1.196 443 R CA 1.051 57.179 56.100 0.046 0.000 0.868 443 R CB -2.934 27.375 30.300 0.015 0.000 1.333 443 R HN 0.278 nan 8.270 nan 0.000 0.522 444 V N -3.056 116.904 119.914 0.077 0.000 3.041 444 V HA 0.043 4.163 4.120 -0.001 0.000 0.260 444 V C 1.823 177.971 176.094 0.090 0.000 1.105 444 V CA 1.266 63.620 62.300 0.090 0.000 1.125 444 V CB -0.212 31.694 31.823 0.139 0.000 0.730 444 V HN 0.278 nan 8.190 nan 0.000 0.479 445 L N 0.296 121.569 121.223 0.083 0.000 2.653 445 L HA 0.340 4.680 4.340 -0.001 0.000 0.231 445 L C 0.116 177.071 176.870 0.142 0.000 1.153 445 L CA -0.294 54.580 54.840 0.057 0.000 0.933 445 L CB -0.416 41.598 42.059 -0.075 0.000 1.175 445 L HN 0.243 nan 8.230 nan 0.000 0.473 446 D N 1.309 121.774 120.400 0.108 0.000 2.506 446 D HA 0.187 4.827 4.640 -0.001 0.000 0.234 446 D C 1.350 177.670 176.300 0.033 0.000 1.143 446 D CA 1.422 55.438 54.000 0.027 0.000 0.871 446 D CB 0.893 41.677 40.800 -0.027 0.000 1.190 446 D HN 0.290 nan 8.370 nan 0.000 0.459 447 G N 1.323 110.120 108.800 -0.004 0.000 2.168 447 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.263 447 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.263 447 G C 0.649 175.580 174.900 0.053 0.000 0.977 447 G CA 0.068 45.177 45.100 0.015 0.000 0.659 447 G HN 0.406 nan 8.290 nan 0.000 0.533 448 L N -0.152 121.132 121.223 0.103 0.000 2.858 448 L HA 0.367 4.707 4.340 -0.001 0.000 0.251 448 L C 1.984 178.886 176.870 0.054 0.000 1.149 448 L CA 0.297 55.168 54.840 0.052 0.000 0.955 448 L CB -0.480 41.569 42.059 -0.016 0.000 1.289 448 L HN 0.436 nan 8.230 nan 0.000 0.542 449 H N -0.034 118.996 119.070 -0.068 0.000 2.319 449 H HA -0.114 4.442 4.556 -0.001 0.000 0.299 449 H C 1.328 176.628 175.328 -0.047 0.000 1.092 449 H CA 1.506 57.513 56.048 -0.069 0.000 1.302 449 H CB 0.373 30.105 29.762 -0.050 0.000 1.373 449 H HN 0.369 nan 8.280 nan 0.000 0.497 450 N N 0.896 119.654 118.700 0.096 0.000 2.120 450 N HA -0.159 4.581 4.740 -0.001 0.000 0.188 450 N C 1.940 177.461 175.510 0.018 0.000 1.024 450 N CA 0.944 54.019 53.050 0.042 0.000 0.852 450 N CB -0.381 38.125 38.487 0.032 0.000 1.003 450 N HN 0.543 nan 8.380 nan 0.000 0.424 451 E N 0.633 120.844 120.200 0.018 0.000 2.072 451 E HA -0.064 4.286 4.350 -0.001 0.000 0.191 451 E C 2.001 178.609 176.600 0.014 0.000 0.985 451 E CA 0.618 57.027 56.400 0.015 0.000 0.801 451 E CB -0.017 29.697 29.700 0.024 0.000 0.750 451 E HN 0.244 nan 8.360 nan 0.000 0.452 452 L N 0.418 121.631 121.223 -0.018 0.000 2.056 452 L HA -0.196 4.144 4.340 -0.001 0.000 0.207 452 L C 2.687 179.604 176.870 0.077 0.000 1.078 452 L CA 1.246 56.096 54.840 0.016 0.000 0.749 452 L CB -0.333 41.588 42.059 -0.229 0.000 0.901 452 L HN 0.192 nan 8.230 nan 0.000 0.433 453 Q N -0.736 119.062 119.800 -0.004 0.000 2.124 453 Q HA -0.167 4.173 4.340 -0.001 0.000 0.202 453 Q C 2.190 178.158 176.000 -0.054 0.000 0.977 453 Q CA 1.956 57.745 55.803 -0.023 0.000 0.850 453 Q CB -0.152 28.575 28.738 -0.019 0.000 0.901 453 Q HN 0.459 nan 8.270 nan 0.000 0.429 454 T N 1.009 115.539 114.554 -0.041 0.000 2.821 454 T HA -0.094 4.256 4.350 -0.001 0.000 0.267 454 T C 1.793 176.425 174.700 -0.113 0.000 1.046 454 T CA 0.882 62.948 62.100 -0.057 0.000 1.139 454 T CB -0.146 68.705 68.868 -0.029 0.000 0.871 454 T HN 0.210 nan 8.240 nan 0.000 0.454 455 I N 0.492 120.988 120.570 -0.123 0.000 2.264 455 I HA -0.078 4.092 4.170 -0.001 0.000 0.248 455 I C 2.169 177.885 176.117 -0.669 0.000 1.111 455 I CA 1.490 62.623 61.300 -0.278 0.000 1.382 455 I CB -0.243 37.687 38.000 -0.116 0.000 1.060 455 I HN 0.530 nan 8.210 nan 0.000 0.418 456 G N -0.685 107.798 108.800 -0.528 0.000 2.273 456 G HA2 -0.158 3.801 3.960 -0.001 0.000 0.162 456 G HA3 -0.158 3.801 3.960 -0.001 0.000 0.162 456 G C 0.166 174.867 174.900 -0.331 0.000 1.006 456 G CA -0.736 44.063 45.100 -0.501 0.000 0.704 456 G HN 0.126 nan 8.290 nan 0.000 0.487 457 F N 1.640 121.465 119.950 -0.207 0.000 2.506 457 F HA 0.440 4.967 4.527 -0.001 0.000 0.351 457 F C 1.139 176.793 175.800 -0.243 0.000 1.136 457 F CA 0.257 58.167 58.000 -0.151 0.000 1.298 457 F CB 0.813 39.722 39.000 -0.153 0.000 1.145 457 F HN 0.096 nan 8.300 nan 0.000 0.593 458 Q N 3.578 123.272 119.800 -0.175 0.000 2.337 458 Q HA 0.366 4.706 4.340 -0.001 0.000 0.255 458 Q C -1.151 174.727 176.000 -0.204 0.000 0.997 458 Q CA -0.744 54.916 55.803 -0.239 0.000 0.925 458 Q CB 0.716 29.191 28.738 -0.439 0.000 1.212 458 Q HN 0.604 nan 8.270 nan 0.000 0.436 459 I N 3.794 124.246 120.570 -0.197 0.000 2.354 459 I HA 0.309 4.479 4.170 -0.001 0.000 0.292 459 I C -1.143 174.842 176.117 -0.221 0.000 0.989 459 I CA 0.046 61.157 61.300 -0.315 0.000 1.188 459 I CB 1.259 38.952 38.000 -0.513 0.000 1.342 459 I HN 0.633 nan 8.210 nan 0.000 0.457 460 E N 4.565 124.635 120.200 -0.216 0.000 2.266 460 E HA 0.558 4.907 4.350 -0.001 0.000 0.268 460 E C -1.087 175.573 176.600 0.100 0.000 0.879 460 E CA -0.914 55.472 56.400 -0.022 0.000 0.762 460 E CB 2.295 31.996 29.700 0.002 0.000 1.199 460 E HN 0.581 nan 8.360 nan 0.000 0.422 461 T N 1.265 115.934 114.554 0.191 0.000 2.868 461 T HA 0.434 4.784 4.350 -0.001 0.000 0.306 461 T C -0.774 174.038 174.700 0.187 0.000 1.224 461 T CA -0.597 61.635 62.100 0.219 0.000 1.012 461 T CB 0.915 69.914 68.868 0.218 0.000 1.221 461 T HN 0.363 nan 8.240 nan 0.000 0.499 462 I N 2.620 123.282 120.570 0.153 0.000 2.618 462 I HA 0.340 4.510 4.170 -0.001 0.000 0.284 462 I C 1.553 177.702 176.117 0.054 0.000 1.146 462 I CA 1.398 62.751 61.300 0.088 0.000 1.425 462 I CB 0.701 38.696 38.000 -0.008 0.000 1.383 462 I HN 1.068 nan 8.210 nan 0.000 0.562 463 G N 4.514 113.342 108.800 0.048 0.000 2.143 463 G HA2 -0.273 3.687 3.960 -0.001 0.000 0.249 463 G HA3 -0.273 3.687 3.960 -0.001 0.000 0.249 463 G C 0.077 174.993 174.900 0.027 0.000 0.981 463 G CA 0.043 45.161 45.100 0.030 0.000 0.665 463 G HN 0.648 nan 8.290 nan 0.000 0.528 464 K N 0.220 120.645 120.400 0.042 0.000 2.482 464 K HA 0.495 4.815 4.320 -0.001 0.000 0.251 464 K C -0.029 176.603 176.600 0.053 0.000 0.936 464 K CA -0.908 55.398 56.287 0.033 0.000 0.791 464 K CB 1.235 33.747 32.500 0.021 0.000 1.213 464 K HN 0.122 nan 8.250 nan 0.000 0.428 465 K N 3.005 123.430 120.400 0.041 0.000 2.326 465 K HA 0.116 4.436 4.320 -0.001 0.000 0.275 465 K C -0.163 176.471 176.600 0.056 0.000 1.018 465 K CA -0.470 55.845 56.287 0.047 0.000 0.962 465 K CB 0.870 33.391 32.500 0.035 0.000 0.953 465 K HN 0.350 nan 8.250 nan 0.000 0.475 466 V N 0.000 119.951 119.914 0.061 0.000 2.409 466 V HA 0.000 4.120 4.120 -0.001 0.000 0.244 466 V CA 0.000 62.339 62.300 0.064 0.000 1.235 466 V CB 0.000 31.866 31.823 0.072 0.000 1.184 466 V HN 0.000 nan 8.190 nan 0.000 0.556