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_J 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 0.000 176.337 176.300 0.061 0.000 1.140 1 M CA 0.000 55.325 55.300 0.043 0.000 0.988 1 M CB 0.000 32.619 32.600 0.032 0.000 1.302 2 F N 1.865 121.788 119.950 -0.044 0.000 2.484 2 F HA 0.614 5.141 4.527 -0.000 0.000 0.360 2 F C 0.730 176.530 175.800 -0.001 0.000 1.101 2 F CA 0.472 58.444 58.000 -0.047 0.000 1.251 2 F CB 0.638 39.596 39.000 -0.070 0.000 1.132 2 F HN 0.809 nan 8.300 nan 0.000 0.570 3 E N 6.896 126.619 120.200 -0.794 0.000 2.129 3 E HA 0.301 4.651 4.350 -0.000 0.000 0.268 3 E C -0.780 175.404 176.600 -0.694 0.000 0.900 3 E CA -0.715 55.375 56.400 -0.517 0.000 0.755 3 E CB 0.857 30.379 29.700 -0.296 0.000 1.117 3 E HN 0.612 nan 8.360 nan 0.000 0.410 4 I N 4.934 125.328 120.570 -0.294 0.000 2.517 4 I HA -0.014 4.156 4.170 -0.000 0.000 0.285 4 I C 0.972 177.024 176.117 -0.109 0.000 1.106 4 I CA 0.632 61.864 61.300 -0.114 0.000 1.402 4 I CB 0.549 38.575 38.000 0.042 0.000 1.399 4 I HN 0.503 nan 8.210 nan 0.000 0.535 5 K N 4.712 125.053 120.400 -0.099 0.000 2.464 5 K HA 0.277 4.597 4.320 -0.000 0.000 0.206 5 K C -0.253 176.323 176.600 -0.040 0.000 1.186 5 K CA 0.112 56.355 56.287 -0.073 0.000 0.990 5 K CB 0.664 33.112 32.500 -0.087 0.000 1.003 5 K HN 0.400 nan 8.250 nan 0.000 0.562 6 K N 1.288 121.675 120.400 -0.021 0.000 2.507 6 K HA 0.444 4.764 4.320 -0.000 0.000 0.251 6 K C -1.207 175.390 176.600 -0.006 0.000 0.943 6 K CA -0.356 55.924 56.287 -0.013 0.000 0.794 6 K CB 2.401 34.892 32.500 -0.014 0.000 1.188 6 K HN -0.098 nan 8.250 nan 0.000 0.428 7 I N 2.161 122.728 120.570 -0.005 0.000 2.433 7 I HA 0.294 4.464 4.170 -0.000 0.000 0.292 7 I C -0.468 175.657 176.117 0.014 0.000 1.001 7 I CA -1.024 60.277 61.300 0.001 0.000 1.119 7 I CB 1.731 39.760 38.000 0.048 0.000 1.289 7 I HN 0.624 nan 8.210 nan 0.000 0.438 8 C N 6.403 125.709 119.300 0.011 0.000 2.355 8 C HA 0.675 5.135 4.460 -0.000 0.000 0.332 8 C C -0.150 174.899 174.990 0.098 0.000 1.255 8 C CA -0.516 58.519 59.018 0.027 0.000 1.792 8 C CB 0.575 28.318 27.740 0.005 0.000 2.300 8 C HN 0.952 nan 8.230 nan 0.000 0.515 9 C N 7.895 127.253 119.300 0.097 0.000 2.322 9 C HA 0.627 5.087 4.460 -0.000 0.000 0.324 9 C C -0.305 174.734 174.990 0.082 0.000 1.249 9 C CA -0.676 58.431 59.018 0.148 0.000 1.453 9 C CB -0.742 27.055 27.740 0.094 0.000 2.145 9 C HN 0.839 nan 8.230 nan 0.000 0.466 10 I N 6.198 126.832 120.570 0.107 0.000 2.312 10 I HA 0.549 4.719 4.170 -0.000 0.000 0.291 10 I C 0.836 177.001 176.117 0.081 0.000 1.031 10 I CA 0.707 62.059 61.300 0.086 0.000 1.293 10 I CB 0.678 38.734 38.000 0.094 0.000 1.403 10 I HN 1.052 nan 8.210 nan 0.000 0.484 11 G N 4.641 113.482 108.800 0.069 0.000 3.373 11 G HA2 0.114 4.074 3.960 -0.000 0.000 0.685 11 G HA3 0.114 4.074 3.960 -0.000 0.000 0.685 11 G C -0.358 174.580 174.900 0.064 0.000 1.166 11 G CA -0.386 44.754 45.100 0.066 0.000 1.063 11 G HN 0.945 nan 8.290 nan 0.000 0.481 12 A N 1.850 124.733 122.820 0.105 0.000 3.264 12 A HA 0.794 5.114 4.320 -0.000 0.000 0.299 12 A C 1.324 179.093 177.584 0.309 0.000 1.272 12 A CA 1.057 53.167 52.037 0.122 0.000 1.030 12 A CB -0.181 18.902 19.000 0.138 0.000 1.102 12 A HN 1.971 nan 8.150 nan 0.000 0.615 13 G N -1.167 107.761 108.800 0.213 0.000 2.773 13 G HA2 0.363 4.322 3.960 -0.000 0.000 0.186 13 G HA3 0.363 4.322 3.960 -0.000 0.000 0.186 13 G C 0.455 175.498 174.900 0.238 0.000 1.411 13 G CA -0.233 45.008 45.100 0.235 0.000 1.054 13 G HN 0.321 nan 8.290 nan 0.000 0.579 14 Y N -1.101 119.300 120.300 0.168 0.000 2.497 14 Y HA 0.018 4.568 4.550 0.000 0.000 0.292 14 Y C 2.654 178.616 175.900 0.102 0.000 1.137 14 Y CA 0.578 58.767 58.100 0.149 0.000 1.285 14 Y CB 0.035 38.553 38.460 0.097 0.000 0.991 14 Y HN 0.054 nan 8.280 nan 0.000 0.556 15 V N -1.599 118.432 119.914 0.194 0.000 2.490 15 V HA -0.012 4.108 4.120 -0.000 0.000 0.238 15 V C 2.465 178.565 176.094 0.009 0.000 1.056 15 V CA 1.438 63.784 62.300 0.077 0.000 1.075 15 V CB -1.107 30.733 31.823 0.029 0.000 0.746 15 V HN 0.381 nan 8.190 nan 0.000 0.479 16 G N 0.466 109.268 108.800 0.003 0.000 2.491 16 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.218 16 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.218 16 G C 1.603 176.417 174.900 -0.144 0.000 1.180 16 G CA 1.256 46.314 45.100 -0.070 0.000 0.774 16 G HN 0.581 nan 8.290 nan 0.000 0.562 17 G N 1.574 110.277 108.800 -0.162 0.000 2.484 17 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.215 17 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.215 17 G C 0.093 174.870 174.900 -0.205 0.000 1.219 17 G CA 1.335 46.152 45.100 -0.472 0.000 0.791 17 G HN 0.421 nan 8.290 nan 0.000 0.550 18 P HA -0.094 nan 4.420 nan 0.000 0.215 18 P C 2.387 179.671 177.300 -0.027 0.000 1.153 18 P CA 2.502 65.620 63.100 0.030 0.000 0.853 18 P CB -0.368 31.387 31.700 0.091 0.000 0.788 19 T N -3.442 111.083 114.554 -0.048 0.000 2.708 19 T HA -0.197 4.152 4.350 -0.000 0.000 0.266 19 T C 1.984 176.623 174.700 -0.100 0.000 1.037 19 T CA 1.557 63.619 62.100 -0.062 0.000 1.146 19 T CB -1.669 67.113 68.868 -0.144 0.000 0.865 19 T HN 0.059 nan 8.240 nan 0.000 0.435 20 C N 1.520 120.725 119.300 -0.157 0.000 2.440 20 C HA 0.032 4.492 4.460 -0.000 0.000 0.278 20 C C 3.423 178.313 174.990 -0.167 0.000 1.295 20 C CA 0.957 59.877 59.018 -0.163 0.000 1.738 20 C CB -1.440 26.165 27.740 -0.225 0.000 1.987 20 C HN 0.637 nan 8.230 nan 0.000 0.492 21 S N 0.818 116.424 115.700 -0.155 0.000 2.370 21 S HA -0.149 4.321 4.470 -0.000 0.000 0.226 21 S C 1.858 176.386 174.600 -0.120 0.000 1.033 21 S CA 1.617 59.747 58.200 -0.115 0.000 1.011 21 S CB -0.310 62.864 63.200 -0.044 0.000 0.852 21 S HN 0.517 nan 8.310 nan 0.000 0.457 22 V N 1.725 121.556 119.914 -0.139 0.000 2.453 22 V HA -0.101 4.019 4.120 -0.000 0.000 0.247 22 V C 2.013 177.863 176.094 -0.406 0.000 1.048 22 V CA 1.271 63.434 62.300 -0.228 0.000 1.049 22 V CB -0.652 31.059 31.823 -0.186 0.000 0.672 22 V HN 0.429 nan 8.190 nan 0.000 0.457 23 I N 0.722 121.113 120.570 -0.299 0.000 2.179 23 I HA -0.246 3.924 4.170 -0.000 0.000 0.242 23 I C 2.701 178.666 176.117 -0.253 0.000 1.088 23 I CA 1.612 62.736 61.300 -0.294 0.000 1.357 23 I CB -0.595 37.370 38.000 -0.058 0.000 1.051 23 I HN 0.279 nan 8.210 nan 0.000 0.409 24 A N -0.049 122.666 122.820 -0.176 0.000 1.902 24 A HA -0.315 4.005 4.320 -0.000 0.000 0.217 24 A C 2.192 179.698 177.584 -0.131 0.000 1.181 24 A CA 2.200 54.151 52.037 -0.144 0.000 0.623 24 A CB -0.997 17.920 19.000 -0.139 0.000 0.818 24 A HN 0.539 nan 8.150 nan 0.000 0.443 25 H N -1.022 117.910 119.070 -0.231 0.000 2.389 25 H HA -0.009 4.547 4.556 -0.000 0.000 0.299 25 H C 1.758 176.947 175.328 -0.231 0.000 1.081 25 H CA 2.036 57.959 56.048 -0.208 0.000 1.345 25 H CB -0.040 29.598 29.762 -0.207 0.000 1.393 25 H HN 0.316 nan 8.280 nan 0.000 0.520 26 M N -0.707 118.668 119.600 -0.374 0.000 2.514 26 M HA 0.106 4.586 4.480 -0.000 0.000 0.258 26 M C 0.314 176.484 176.300 -0.217 0.000 1.119 26 M CA 0.266 55.339 55.300 -0.379 0.000 1.111 26 M CB -0.389 31.802 32.600 -0.680 0.000 1.390 26 M HN 0.267 nan 8.290 nan 0.000 0.475 27 C N 2.341 121.487 119.300 -0.256 0.000 3.003 27 C HA 0.307 4.767 4.460 -0.000 0.000 0.241 27 C C -1.037 173.845 174.990 -0.181 0.000 1.224 27 C CA -1.052 57.800 59.018 -0.277 0.000 1.560 27 C CB 0.205 27.690 27.740 -0.425 0.000 1.768 27 C HN 0.247 nan 8.230 nan 0.000 0.440 28 P HA -0.175 nan 4.420 nan 0.000 0.222 28 P C 1.402 178.666 177.300 -0.060 0.000 1.147 28 P CA 1.606 64.651 63.100 -0.091 0.000 0.790 28 P CB 0.256 31.911 31.700 -0.075 0.000 0.780 29 E N 0.328 120.493 120.200 -0.058 0.000 2.435 29 E HA -0.027 4.323 4.350 -0.000 0.000 0.195 29 E C 0.642 177.214 176.600 -0.047 0.000 1.029 29 E CA 0.177 56.555 56.400 -0.037 0.000 0.865 29 E CB -0.390 29.303 29.700 -0.011 0.000 0.833 29 E HN 0.296 nan 8.360 nan 0.000 0.510 30 I N 2.197 122.721 120.570 -0.077 0.000 2.331 30 I HA 0.258 4.428 4.170 -0.000 0.000 0.292 30 I C 0.596 176.694 176.117 -0.032 0.000 0.998 30 I CA -0.756 60.504 61.300 -0.066 0.000 1.267 30 I CB 1.226 39.166 38.000 -0.101 0.000 1.386 30 I HN -0.140 nan 8.210 nan 0.000 0.476 31 R N 5.888 126.386 120.500 -0.004 0.000 2.216 31 R HA 0.467 4.807 4.340 -0.000 0.000 0.332 31 R C -1.349 174.971 176.300 0.033 0.000 1.056 31 R CA -0.329 55.799 56.100 0.047 0.000 0.901 31 R CB 0.820 31.141 30.300 0.035 0.000 1.039 31 R HN 0.471 nan 8.270 nan 0.000 0.456 32 V N 4.230 124.171 119.914 0.046 0.000 2.378 32 V HA 0.298 4.418 4.120 -0.000 0.000 0.288 32 V C -0.278 175.807 176.094 -0.014 0.000 1.016 32 V CA -0.672 61.622 62.300 -0.009 0.000 0.840 32 V CB 1.832 33.612 31.823 -0.071 0.000 0.994 32 V HN 0.767 nan 8.190 nan 0.000 0.431 33 T N 4.408 118.944 114.554 -0.031 0.000 2.786 33 T HA 0.539 4.889 4.350 -0.000 0.000 0.283 33 T C -0.264 174.360 174.700 -0.127 0.000 0.992 33 T CA -0.405 61.659 62.100 -0.061 0.000 0.954 33 T CB 1.610 70.459 68.868 -0.031 0.000 0.934 33 T HN 0.338 nan 8.240 nan 0.000 0.440 34 V N 4.658 124.410 119.914 -0.271 0.000 2.394 34 V HA 0.640 4.760 4.120 -0.000 0.000 0.282 34 V C 0.304 176.361 176.094 -0.062 0.000 1.031 34 V CA -0.725 61.441 62.300 -0.223 0.000 0.881 34 V CB 1.107 32.663 31.823 -0.446 0.000 0.982 34 V HN 0.789 nan 8.190 nan 0.000 0.451 35 V N 1.167 121.084 119.914 0.005 0.000 2.864 35 V HA 0.871 4.991 4.120 -0.000 0.000 0.314 35 V C -1.025 175.116 176.094 0.078 0.000 1.073 35 V CA -0.466 61.867 62.300 0.054 0.000 0.956 35 V CB 2.274 34.123 31.823 0.043 0.000 1.023 35 V HN 0.842 nan 8.190 nan 0.000 0.435 36 D N 0.609 121.067 120.400 0.097 0.000 2.654 36 D HA 0.331 4.971 4.640 -0.000 0.000 0.231 36 D C 0.513 176.869 176.300 0.092 0.000 1.239 36 D CA 0.148 54.208 54.000 0.101 0.000 0.790 36 D CB 2.700 43.580 40.800 0.134 0.000 1.480 36 D HN 0.707 nan 8.370 nan 0.000 0.442 37 V N 0.451 120.415 119.914 0.084 0.000 2.719 37 V HA 0.083 4.203 4.120 -0.000 0.000 0.252 37 V C 0.993 177.131 176.094 0.073 0.000 1.065 37 V CA 0.612 62.959 62.300 0.077 0.000 1.086 37 V CB -0.473 31.399 31.823 0.082 0.000 0.700 37 V HN 0.394 nan 8.190 nan 0.000 0.467 38 N N 1.948 120.694 118.700 0.077 0.000 2.421 38 N HA 0.011 4.751 4.740 -0.000 0.000 0.260 38 N C 1.029 176.586 175.510 0.078 0.000 1.173 38 N CA 0.449 53.540 53.050 0.069 0.000 0.960 38 N CB 0.703 39.229 38.487 0.065 0.000 1.273 38 N HN 0.643 nan 8.380 nan 0.000 0.497 39 E N 1.827 122.065 120.200 0.064 0.000 2.106 39 E HA -0.179 4.171 4.350 -0.000 0.000 0.192 39 E C 1.312 177.945 176.600 0.054 0.000 0.984 39 E CA 1.134 57.573 56.400 0.065 0.000 0.806 39 E CB 0.215 29.946 29.700 0.052 0.000 0.750 39 E HN 0.702 nan 8.360 nan 0.000 0.458 40 S N 0.356 116.076 115.700 0.034 0.000 2.423 40 S HA -0.182 4.288 4.470 -0.000 0.000 0.231 40 S C 2.040 176.635 174.600 -0.008 0.000 1.014 40 S CA 1.039 59.244 58.200 0.009 0.000 0.965 40 S CB -0.220 62.977 63.200 -0.004 0.000 0.785 40 S HN 0.223 nan 8.310 nan 0.000 0.495 41 R N 0.539 121.049 120.500 0.016 0.000 2.062 41 R HA 0.077 4.417 4.340 -0.000 0.000 0.229 41 R C 2.126 178.483 176.300 0.095 0.000 1.128 41 R CA 1.366 57.466 56.100 -0.000 0.000 0.960 41 R CB -0.307 30.031 30.300 0.063 0.000 0.855 41 R HN 0.364 nan 8.270 nan 0.000 0.432 42 I N 2.043 122.732 120.570 0.198 0.000 2.226 42 I HA -0.263 3.907 4.170 -0.000 0.000 0.245 42 I C 1.624 177.836 176.117 0.157 0.000 1.100 42 I CA 1.339 62.801 61.300 0.270 0.000 1.374 42 I CB -1.378 36.755 38.000 0.221 0.000 1.057 42 I HN 0.273 nan 8.210 nan 0.000 0.413 43 N N 1.355 120.104 118.700 0.081 0.000 2.104 43 N HA -0.144 4.596 4.740 -0.000 0.000 0.190 43 N C 1.934 177.435 175.510 -0.016 0.000 1.024 43 N CA 1.717 54.790 53.050 0.039 0.000 0.853 43 N CB -0.343 38.156 38.487 0.020 0.000 1.008 43 N HN 0.374 nan 8.380 nan 0.000 0.424 44 A N 0.197 122.968 122.820 -0.082 0.000 1.902 44 A HA -0.136 4.184 4.320 -0.000 0.000 0.217 44 A C 2.130 179.559 177.584 -0.257 0.000 1.181 44 A CA 1.222 53.143 52.037 -0.193 0.000 0.623 44 A CB -1.234 17.591 19.000 -0.291 0.000 0.818 44 A HN 0.449 nan 8.150 nan 0.000 0.443 45 W N 0.304 121.407 121.300 -0.329 0.000 2.350 45 W HA -0.120 4.540 4.660 -0.000 0.000 0.289 45 W C 1.475 177.677 176.519 -0.528 0.000 1.215 45 W CA 0.980 57.931 57.345 -0.657 0.000 1.236 45 W CB -0.097 28.586 29.460 -1.294 0.000 1.130 45 W HN 0.305 nan 8.180 nan 0.000 0.541 46 N N -0.043 118.639 118.700 -0.031 0.000 2.314 46 N HA -0.002 4.738 4.740 -0.000 0.000 0.200 46 N C 0.263 175.781 175.510 0.014 0.000 1.135 46 N CA 0.693 53.770 53.050 0.045 0.000 0.835 46 N CB 0.028 38.583 38.487 0.114 0.000 0.989 46 N HN 0.032 nan 8.380 nan 0.000 0.478 47 S N -0.404 115.276 115.700 -0.034 0.000 2.739 47 S HA 0.571 5.041 4.470 -0.000 0.000 0.306 47 S C -2.127 172.445 174.600 -0.046 0.000 1.115 47 S CA -1.138 57.039 58.200 -0.037 0.000 0.985 47 S CB 2.226 65.393 63.200 -0.055 0.000 1.133 47 S HN -0.232 nan 8.310 nan 0.000 0.541 48 P HA 0.184 nan 4.420 nan 0.000 0.237 48 P C -0.260 177.009 177.300 -0.053 0.000 1.178 48 P CA 0.623 63.702 63.100 -0.035 0.000 0.766 48 P CB -0.096 31.590 31.700 -0.024 0.000 0.876 49 T N 1.076 115.582 114.554 -0.080 0.000 2.977 49 T HA 0.340 4.690 4.350 -0.000 0.000 0.346 49 T C 0.198 174.792 174.700 -0.178 0.000 1.140 49 T CA -0.577 61.462 62.100 -0.102 0.000 1.040 49 T CB 0.188 69.003 68.868 -0.088 0.000 1.046 49 T HN -0.122 nan 8.240 nan 0.000 0.494 50 L N 4.387 125.476 121.223 -0.222 0.000 2.499 50 L HA 0.161 4.501 4.340 -0.000 0.000 0.281 50 L C -0.602 175.960 176.870 -0.513 0.000 1.234 50 L CA -1.429 53.147 54.840 -0.440 0.000 0.839 50 L CB 0.418 42.214 42.059 -0.439 0.000 1.104 50 L HN 0.339 nan 8.230 nan 0.000 0.500 51 P HA 0.005 nan 4.420 nan 0.000 0.233 51 P C -0.078 176.921 177.300 -0.501 0.000 1.167 51 P CA 1.000 63.730 63.100 -0.617 0.000 0.770 51 P CB 0.117 31.358 31.700 -0.764 0.000 0.837 52 I N -4.749 115.462 120.570 -0.599 0.000 2.785 52 I HA 0.554 4.724 4.170 -0.000 0.000 0.302 52 I C -1.278 174.753 176.117 -0.145 0.000 1.069 52 I CA -1.816 59.246 61.300 -0.396 0.000 1.045 52 I CB 2.211 39.742 38.000 -0.783 0.000 1.236 52 I HN -0.340 nan 8.210 nan 0.000 0.429 53 Y N 3.132 123.402 120.300 -0.050 0.000 2.335 53 Y HA 0.663 5.213 4.550 -0.000 0.000 0.339 53 Y C -0.843 175.107 175.900 0.084 0.000 0.987 53 Y CA -0.265 57.843 58.100 0.013 0.000 1.140 53 Y CB 1.172 39.664 38.460 0.055 0.000 1.173 53 Y HN 0.756 nan 8.280 nan 0.000 0.486 54 E N 8.036 127.824 120.200 -0.686 0.000 2.313 54 E HA 0.425 4.775 4.350 -0.000 0.000 0.280 54 E C -3.077 173.176 176.600 -0.579 0.000 0.898 54 E CA -2.597 53.507 56.400 -0.495 0.000 0.803 54 E CB 1.606 31.223 29.700 -0.140 0.000 1.286 54 E HN 0.332 nan 8.360 nan 0.000 0.401 55 P HA 0.152 nan 4.420 nan 0.000 0.262 55 P C 0.688 177.902 177.300 -0.144 0.000 1.182 55 P CA 1.496 64.430 63.100 -0.277 0.000 0.761 55 P CB 0.702 32.326 31.700 -0.127 0.000 0.795 56 G N 2.208 110.953 108.800 -0.091 0.000 2.234 56 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.260 56 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.260 56 G C 0.716 175.572 174.900 -0.073 0.000 0.987 56 G CA 0.376 45.437 45.100 -0.066 0.000 0.625 56 G HN 0.559 nan 8.290 nan 0.000 0.532 57 L N 1.147 122.325 121.223 -0.074 0.000 2.027 57 L HA 0.268 4.608 4.340 -0.000 0.000 0.206 57 L C 2.623 179.490 176.870 -0.005 0.000 1.074 57 L CA 3.154 57.976 54.840 -0.030 0.000 0.745 57 L CB -0.655 41.401 42.059 -0.004 0.000 0.898 57 L HN 0.380 nan 8.230 nan 0.000 0.433 58 K N -0.560 119.833 120.400 -0.010 0.000 2.044 58 K HA -0.274 4.045 4.320 -0.000 0.000 0.210 58 K C 1.925 178.521 176.600 -0.006 0.000 1.049 58 K CA 2.087 58.377 56.287 0.005 0.000 0.927 58 K CB -0.071 32.434 32.500 0.008 0.000 0.713 58 K HN 0.347 nan 8.250 nan 0.000 0.443 59 E N 0.094 120.277 120.200 -0.028 0.000 2.038 59 E HA -0.174 4.176 4.350 -0.000 0.000 0.195 59 E C 1.954 178.503 176.600 -0.084 0.000 1.000 59 E CA 1.584 57.956 56.400 -0.047 0.000 0.803 59 E CB -0.195 29.471 29.700 -0.057 0.000 0.750 59 E HN 0.110 nan 8.360 nan 0.000 0.448 60 V N 0.167 120.002 119.914 -0.132 0.000 2.343 60 V HA -0.221 3.898 4.120 -0.000 0.000 0.247 60 V C 2.249 178.290 176.094 -0.089 0.000 1.051 60 V CA 1.353 63.520 62.300 -0.222 0.000 1.036 60 V CB -0.487 31.176 31.823 -0.267 0.000 0.654 60 V HN 0.132 nan 8.190 nan 0.000 0.451 61 V N -0.050 119.861 119.914 -0.006 0.000 2.343 61 V HA -0.276 3.844 4.120 -0.000 0.000 0.247 61 V C 2.430 178.552 176.094 0.047 0.000 1.051 61 V CA 2.125 64.469 62.300 0.074 0.000 1.036 61 V CB -0.621 31.302 31.823 0.165 0.000 0.654 61 V HN 0.618 nan 8.190 nan 0.000 0.451 62 E N 0.457 120.670 120.200 0.020 0.000 2.150 62 E HA -0.156 4.194 4.350 -0.000 0.000 0.193 62 E C 2.296 178.897 176.600 0.001 0.000 0.985 62 E CA 1.391 57.797 56.400 0.011 0.000 0.814 62 E CB -0.178 29.525 29.700 0.006 0.000 0.752 62 E HN 0.769 nan 8.360 nan 0.000 0.466 63 S N -0.486 115.214 115.700 0.000 0.000 2.447 63 S HA -0.094 4.376 4.470 -0.000 0.000 0.233 63 S C 1.920 176.529 174.600 0.014 0.000 1.006 63 S CA 0.731 58.945 58.200 0.024 0.000 0.957 63 S CB -0.031 63.215 63.200 0.076 0.000 0.773 63 S HN 0.268 nan 8.310 nan 0.000 0.507 64 C N 0.164 119.456 119.300 -0.014 0.000 3.270 64 C HA 0.443 4.903 4.460 -0.000 0.000 0.369 64 C C 1.131 176.022 174.990 -0.164 0.000 1.326 64 C CA -0.954 58.022 59.018 -0.070 0.000 1.846 64 C CB -0.812 26.888 27.740 -0.066 0.000 2.534 64 C HN 0.553 nan 8.230 nan 0.000 0.649 65 R N 1.239 121.668 120.500 -0.119 0.000 2.484 65 R HA 0.386 4.725 4.340 -0.000 0.000 0.293 65 R C 1.318 177.456 176.300 -0.269 0.000 1.023 65 R CA 1.444 57.440 56.100 -0.173 0.000 1.037 65 R CB -0.069 30.252 30.300 0.034 0.000 0.951 65 R HN 0.611 nan 8.270 nan 0.000 0.418 66 G N 3.464 111.903 108.800 -0.602 0.000 2.225 66 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.254 66 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.254 66 G C 0.653 175.342 174.900 -0.353 0.000 0.988 66 G CA 0.658 45.474 45.100 -0.474 0.000 0.625 66 G HN 0.638 nan 8.290 nan 0.000 0.527 67 K N 0.077 120.262 120.400 -0.358 0.000 2.107 67 K HA 0.146 4.466 4.320 -0.000 0.000 0.211 67 K C 1.776 178.335 176.600 -0.069 0.000 1.024 67 K CA 1.066 57.279 56.287 -0.123 0.000 0.953 67 K CB -0.134 32.313 32.500 -0.088 0.000 0.831 67 K HN 0.395 nan 8.250 nan 0.000 0.454 68 N N 0.329 118.928 118.700 -0.169 0.000 2.160 68 N HA 0.060 4.800 4.740 -0.000 0.000 0.226 68 N C -0.769 174.655 175.510 -0.142 0.000 1.256 68 N CA -0.184 52.858 53.050 -0.013 0.000 0.890 68 N CB 0.438 38.921 38.487 -0.007 0.000 1.116 68 N HN 0.038 nan 8.380 nan 0.000 0.517 69 L N 0.638 121.559 121.223 -0.504 0.000 2.356 69 L HA 0.696 5.036 4.340 -0.000 0.000 0.277 69 L C -1.860 174.486 176.870 -0.873 0.000 0.996 69 L CA -0.641 53.899 54.840 -0.500 0.000 0.822 69 L CB 1.030 42.873 42.059 -0.361 0.000 1.256 69 L HN -0.054 nan 8.230 nan 0.000 0.413 70 F N 4.600 124.311 119.950 -0.398 0.000 2.578 70 F HA 0.595 5.122 4.527 -0.000 0.000 0.311 70 F C -0.903 174.577 175.800 -0.534 0.000 1.094 70 F CA -0.371 57.453 58.000 -0.292 0.000 0.923 70 F CB 1.949 40.862 39.000 -0.145 0.000 1.230 70 F HN 0.196 nan 8.300 nan 0.000 0.450 71 F N 1.497 121.511 119.950 0.107 0.000 2.467 71 F HA 0.652 5.179 4.527 -0.000 0.000 0.336 71 F C 0.092 175.945 175.800 0.088 0.000 1.123 71 F CA -0.647 57.375 58.000 0.037 0.000 0.964 71 F CB 2.094 41.105 39.000 0.018 0.000 1.136 71 F HN 0.362 nan 8.300 nan 0.000 0.447 72 S N 0.295 116.120 115.700 0.207 0.000 2.537 72 S HA 0.388 4.858 4.470 -0.000 0.000 0.270 72 S C 0.357 175.025 174.600 0.114 0.000 1.142 72 S CA -0.213 58.072 58.200 0.142 0.000 0.870 72 S CB 1.413 64.665 63.200 0.087 0.000 1.112 72 S HN 0.750 nan 8.310 nan 0.000 0.466 73 T N 0.259 114.871 114.554 0.096 0.000 3.107 73 T HA 0.171 4.521 4.350 -0.000 0.000 0.249 73 T C 0.558 175.291 174.700 0.056 0.000 1.096 73 T CA 0.115 62.262 62.100 0.078 0.000 1.012 73 T CB -0.428 68.484 68.868 0.074 0.000 0.977 73 T HN 0.406 nan 8.240 nan 0.000 0.527 74 N N 1.466 120.193 118.700 0.045 0.000 2.968 74 N HA 0.253 4.992 4.740 -0.000 0.000 0.271 74 N C 0.744 176.267 175.510 0.021 0.000 1.174 74 N CA -0.473 52.593 53.050 0.027 0.000 1.096 74 N CB -0.564 37.931 38.487 0.013 0.000 1.403 74 N HN 0.422 nan 8.380 nan 0.000 0.522 75 I N 0.580 121.167 120.570 0.030 0.000 2.226 75 I HA -0.253 3.917 4.170 -0.000 0.000 0.245 75 I C 1.365 177.492 176.117 0.016 0.000 1.100 75 I CA 0.874 62.191 61.300 0.029 0.000 1.374 75 I CB 0.060 38.086 38.000 0.043 0.000 1.057 75 I HN 0.274 nan 8.210 nan 0.000 0.413 76 D N 0.953 121.361 120.400 0.013 0.000 2.092 76 D HA -0.192 4.448 4.640 -0.000 0.000 0.193 76 D C 1.803 178.099 176.300 -0.008 0.000 0.994 76 D CA 1.412 55.414 54.000 0.004 0.000 0.828 76 D CB -0.401 40.402 40.800 0.004 0.000 0.963 76 D HN 0.292 nan 8.370 nan 0.000 0.450 77 D N 0.058 120.451 120.400 -0.012 0.000 2.149 77 D HA -0.013 4.627 4.640 -0.000 0.000 0.201 77 D C 1.999 178.279 176.300 -0.034 0.000 0.972 77 D CA 1.010 54.995 54.000 -0.025 0.000 0.835 77 D CB -0.295 40.486 40.800 -0.031 0.000 0.966 77 D HN 0.131 nan 8.370 nan 0.000 0.476 78 A N 0.858 123.661 122.820 -0.029 0.000 1.902 78 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 78 A C 2.345 179.914 177.584 -0.025 0.000 1.181 78 A CA 0.953 52.970 52.037 -0.032 0.000 0.623 78 A CB -0.710 18.279 19.000 -0.019 0.000 0.818 78 A HN 0.178 nan 8.150 nan 0.000 0.443 79 I N -0.631 119.928 120.570 -0.017 0.000 2.142 79 I HA -0.276 3.894 4.170 -0.000 0.000 0.240 79 I C 2.549 178.645 176.117 -0.035 0.000 1.078 79 I CA 1.897 63.183 61.300 -0.023 0.000 1.343 79 I CB -0.310 37.679 38.000 -0.017 0.000 1.046 79 I HN 0.371 nan 8.210 nan 0.000 0.405 80 K N 1.134 121.514 120.400 -0.032 0.000 2.089 80 K HA -0.267 4.053 4.320 -0.000 0.000 0.210 80 K C 1.956 178.538 176.600 -0.030 0.000 1.048 80 K CA 2.232 58.498 56.287 -0.034 0.000 0.926 80 K CB -0.095 32.388 32.500 -0.029 0.000 0.714 80 K HN 0.421 nan 8.250 nan 0.000 0.448 81 E N -0.069 120.112 120.200 -0.031 0.000 2.489 81 E HA 0.236 4.586 4.350 -0.000 0.000 0.193 81 E C 0.308 176.897 176.600 -0.017 0.000 1.057 81 E CA 0.493 56.877 56.400 -0.028 0.000 0.866 81 E CB 0.088 29.761 29.700 -0.045 0.000 0.916 81 E HN 0.545 nan 8.360 nan 0.000 0.500 82 A N 0.724 123.533 122.820 -0.019 0.000 2.327 82 A HA 0.472 4.792 4.320 -0.000 0.000 0.283 82 A C 0.400 177.994 177.584 0.016 0.000 1.127 82 A CA -0.084 51.946 52.037 -0.011 0.000 0.810 82 A CB 0.646 19.630 19.000 -0.027 0.000 1.066 82 A HN 0.179 nan 8.150 nan 0.000 0.492 83 D N 0.265 120.699 120.400 0.058 0.000 2.216 83 D HA 0.063 4.703 4.640 -0.000 0.000 0.208 83 D C 0.025 176.365 176.300 0.067 0.000 0.960 83 D CA 1.052 55.151 54.000 0.166 0.000 0.861 83 D CB 0.194 41.171 40.800 0.296 0.000 0.985 83 D HN 0.371 nan 8.370 nan 0.000 0.493 84 L N 0.960 122.173 121.223 -0.016 0.000 2.385 84 L HA 0.369 4.709 4.340 -0.000 0.000 0.273 84 L C -1.340 175.420 176.870 -0.184 0.000 0.990 84 L CA -0.620 54.134 54.840 -0.143 0.000 0.821 84 L CB 2.326 44.257 42.059 -0.214 0.000 1.279 84 L HN -0.349 nan 8.230 nan 0.000 0.412 85 V N 5.420 125.214 119.914 -0.199 0.000 2.378 85 V HA 0.408 4.528 4.120 -0.000 0.000 0.288 85 V C -0.420 175.591 176.094 -0.138 0.000 1.016 85 V CA -0.383 61.848 62.300 -0.116 0.000 0.840 85 V CB 0.998 32.797 31.823 -0.040 0.000 0.994 85 V HN 0.507 nan 8.190 nan 0.000 0.431 86 F N 4.609 124.575 119.950 0.026 0.000 2.427 86 F HA 0.493 5.020 4.527 -0.000 0.000 0.352 86 F C 0.516 176.339 175.800 0.039 0.000 1.100 86 F CA -0.505 57.516 58.000 0.036 0.000 1.191 86 F CB 0.962 39.980 39.000 0.031 0.000 1.128 86 F HN 0.284 nan 8.300 nan 0.000 0.533 87 I N 2.882 123.606 120.570 0.256 0.000 2.304 87 I HA 0.187 4.357 4.170 -0.000 0.000 0.291 87 I C 0.127 176.335 176.117 0.152 0.000 1.018 87 I CA 0.157 61.559 61.300 0.170 0.000 1.260 87 I CB 0.777 38.853 38.000 0.127 0.000 1.390 87 I HN 0.512 nan 8.210 nan 0.000 0.475 88 S N 4.943 120.711 115.700 0.114 0.000 2.835 88 S HA 0.158 4.627 4.470 -0.000 0.000 0.248 88 S C -0.004 174.628 174.600 0.055 0.000 1.070 88 S CA -0.532 57.707 58.200 0.065 0.000 1.090 88 S CB 0.342 63.556 63.200 0.023 0.000 0.978 88 S HN 0.475 nan 8.310 nan 0.000 0.510 89 V N 0.781 120.734 119.914 0.064 0.000 3.036 89 V HA 0.565 4.685 4.120 -0.000 0.000 0.308 89 V C 0.192 176.297 176.094 0.019 0.000 1.070 89 V CA -1.243 61.080 62.300 0.038 0.000 1.056 89 V CB 0.476 32.345 31.823 0.077 0.000 1.084 89 V HN 0.523 nan 8.190 nan 0.000 0.471 90 N N 1.252 119.914 118.700 -0.063 0.000 2.453 90 N HA 0.157 4.897 4.740 -0.000 0.000 0.253 90 N C 0.077 175.622 175.510 0.059 0.000 1.252 90 N CA 0.328 53.348 53.050 -0.050 0.000 0.917 90 N CB 0.789 39.191 38.487 -0.143 0.000 1.117 90 N HN 1.051 nan 8.380 nan 0.000 0.442 91 T N -3.320 111.275 114.554 0.069 0.000 3.504 91 T HA 0.312 4.662 4.350 -0.000 0.000 0.286 91 T C -2.661 172.084 174.700 0.075 0.000 1.530 91 T CA -1.360 60.803 62.100 0.104 0.000 1.652 91 T CB 0.589 69.498 68.868 0.068 0.000 0.895 91 T HN 0.392 nan 8.240 nan 0.000 0.674 92 P HA 0.222 nan 4.420 nan 0.000 0.272 92 P C 0.045 177.365 177.300 0.034 0.000 1.240 92 P CA -0.038 63.101 63.100 0.066 0.000 0.791 92 P CB 0.489 32.249 31.700 0.100 0.000 0.978 93 T N 1.806 116.364 114.554 0.007 0.000 2.928 93 T HA 0.037 4.387 4.350 -0.000 0.000 0.305 93 T C 0.598 175.255 174.700 -0.071 0.000 1.035 93 T CA 0.024 62.100 62.100 -0.041 0.000 1.145 93 T CB -0.131 68.722 68.868 -0.025 0.000 0.963 93 T HN 0.240 nan 8.240 nan 0.000 0.545 94 K N 2.310 122.600 120.400 -0.182 0.000 2.451 94 K HA 0.069 4.389 4.320 -0.000 0.000 0.280 94 K C 1.313 177.764 176.600 -0.248 0.000 1.020 94 K CA 0.057 56.138 56.287 -0.344 0.000 1.008 94 K CB 0.339 32.499 32.500 -0.566 0.000 0.917 94 K HN 0.736 nan 8.250 nan 0.000 0.478 95 T N -0.085 114.386 114.554 -0.138 0.000 3.186 95 T HA 0.145 4.495 4.350 -0.000 0.000 0.257 95 T C -0.383 174.396 174.700 0.132 0.000 1.029 95 T CA -0.391 61.734 62.100 0.042 0.000 0.916 95 T CB -0.501 68.454 68.868 0.145 0.000 1.041 95 T HN 0.578 nan 8.240 nan 0.000 0.562 96 Y N -2.719 117.573 120.300 -0.013 0.000 2.656 96 Y HA 0.664 5.214 4.550 -0.000 0.000 0.334 96 Y C 0.583 176.472 175.900 -0.018 0.000 1.179 96 Y CA -1.268 56.825 58.100 -0.011 0.000 1.050 96 Y CB 0.716 39.170 38.460 -0.010 0.000 1.308 96 Y HN 0.356 nan 8.280 nan 0.000 0.456 97 G N 1.587 110.468 108.800 0.135 0.000 2.564 97 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.273 97 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.273 97 G C -0.464 174.423 174.900 -0.021 0.000 1.242 97 G CA -0.120 45.028 45.100 0.080 0.000 0.951 97 G HN 0.809 nan 8.290 nan 0.000 0.564 98 M N 1.907 121.495 119.600 -0.021 0.000 2.268 98 M HA 0.371 4.851 4.480 -0.000 0.000 0.349 98 M C 1.638 177.880 176.300 -0.095 0.000 1.485 98 M CA 1.535 56.829 55.300 -0.010 0.000 1.094 98 M CB -0.536 32.083 32.600 0.032 0.000 1.843 98 M HN 2.442 nan 8.290 nan 0.000 0.460 99 G N 3.068 111.833 108.800 -0.059 0.000 2.143 99 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.248 99 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.248 99 G C 0.299 175.051 174.900 -0.246 0.000 0.991 99 G CA 0.481 45.452 45.100 -0.214 0.000 0.689 99 G HN 0.756 nan 8.290 nan 0.000 0.522 100 K N 0.245 120.549 120.400 -0.160 0.000 2.511 100 K HA 0.304 4.624 4.320 -0.000 0.000 0.277 100 K C 1.661 178.207 176.600 -0.091 0.000 1.025 100 K CA 1.440 57.645 56.287 -0.137 0.000 1.112 100 K CB -0.482 31.984 32.500 -0.056 0.000 0.859 100 K HN 1.609 nan 8.250 nan 0.000 0.485 101 G N 3.598 112.343 108.800 -0.091 0.000 2.159 101 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.256 101 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.256 101 G C 0.561 175.437 174.900 -0.040 0.000 0.977 101 G CA 0.650 45.727 45.100 -0.039 0.000 0.652 101 G HN 0.767 nan 8.290 nan 0.000 0.531 102 R N -0.666 119.768 120.500 -0.109 0.000 3.718 102 R HA 0.545 4.885 4.340 -0.000 0.000 0.136 102 R C 1.348 177.501 176.300 -0.245 0.000 0.698 102 R CA 0.240 56.280 56.100 -0.100 0.000 1.110 102 R CB -0.202 30.091 30.300 -0.012 0.000 1.594 102 R HN 0.695 nan 8.270 nan 0.000 0.490 103 A N 1.905 124.385 122.820 -0.566 0.000 2.445 103 A HA 0.585 4.905 4.320 -0.000 0.000 0.242 103 A C 0.144 177.540 177.584 -0.314 0.000 1.075 103 A CA 0.013 51.630 52.037 -0.701 0.000 0.777 103 A CB 0.211 18.599 19.000 -1.019 0.000 1.013 103 A HN 0.416 nan 8.150 nan 0.000 0.493 104 A N 1.631 124.339 122.820 -0.186 0.000 2.440 104 A HA 0.419 4.739 4.320 -0.000 0.000 0.251 104 A C 0.100 177.626 177.584 -0.098 0.000 1.089 104 A CA -0.174 51.810 52.037 -0.088 0.000 0.779 104 A CB 0.038 19.025 19.000 -0.022 0.000 1.022 104 A HN 0.802 nan 8.150 nan 0.000 0.492 105 D N 2.228 122.596 120.400 -0.053 0.000 2.316 105 D HA 0.323 4.963 4.640 -0.000 0.000 0.245 105 D C 0.266 176.583 176.300 0.029 0.000 1.171 105 D CA -0.000 53.980 54.000 -0.034 0.000 0.856 105 D CB 0.671 41.480 40.800 0.015 0.000 1.090 105 D HN 0.422 nan 8.370 nan 0.000 0.476 106 L N 4.164 125.386 121.223 -0.001 0.000 2.769 106 L HA 0.105 4.445 4.340 -0.000 0.000 0.240 106 L C 2.161 179.024 176.870 -0.011 0.000 1.163 106 L CA -0.178 54.674 54.840 0.019 0.000 0.962 106 L CB 0.115 42.180 42.059 0.010 0.000 1.258 106 L HN 0.384 nan 8.230 nan 0.000 0.513 107 K N -0.332 120.009 120.400 -0.099 0.000 2.097 107 K HA -0.175 4.144 4.320 -0.000 0.000 0.205 107 K C 1.556 178.036 176.600 -0.199 0.000 1.050 107 K CA 1.466 57.638 56.287 -0.191 0.000 0.938 107 K CB -0.385 31.934 32.500 -0.302 0.000 0.718 107 K HN 0.135 nan 8.250 nan 0.000 0.442 108 Y N 1.738 122.069 120.300 0.051 0.000 2.263 108 Y HA -0.060 4.490 4.550 -0.000 0.000 0.292 108 Y C 2.369 178.297 175.900 0.046 0.000 1.130 108 Y CA 0.486 58.617 58.100 0.050 0.000 1.179 108 Y CB -0.244 38.248 38.460 0.054 0.000 0.998 108 Y HN -0.044 nan 8.280 nan 0.000 0.532 109 I N 0.423 121.097 120.570 0.174 0.000 2.142 109 I HA -0.295 3.875 4.170 -0.000 0.000 0.240 109 I C 2.416 178.573 176.117 0.066 0.000 1.078 109 I CA 1.938 63.302 61.300 0.107 0.000 1.343 109 I CB -1.107 36.936 38.000 0.072 0.000 1.046 109 I HN 0.312 nan 8.210 nan 0.000 0.405 110 E N 1.349 121.570 120.200 0.035 0.000 2.077 110 E HA -0.201 4.149 4.350 -0.000 0.000 0.193 110 E C 2.264 178.887 176.600 0.038 0.000 0.989 110 E CA 1.639 58.049 56.400 0.017 0.000 0.800 110 E CB -0.067 29.631 29.700 -0.002 0.000 0.746 110 E HN 0.400 nan 8.360 nan 0.000 0.452 111 A N 0.386 123.234 122.820 0.046 0.000 1.917 111 A HA -0.254 4.066 4.320 -0.000 0.000 0.219 111 A C 2.515 180.150 177.584 0.086 0.000 1.182 111 A CA 1.649 53.723 52.037 0.063 0.000 0.633 111 A CB -1.117 17.928 19.000 0.075 0.000 0.819 111 A HN 0.574 nan 8.150 nan 0.000 0.448 112 C N -1.228 118.133 119.300 0.103 0.000 2.432 112 C HA 0.053 4.513 4.460 -0.000 0.000 0.277 112 C C 3.345 178.413 174.990 0.130 0.000 1.249 112 C CA 0.787 59.872 59.018 0.111 0.000 1.725 112 C CB -1.417 26.393 27.740 0.117 0.000 2.028 112 C HN 0.723 nan 8.230 nan 0.000 0.477 113 A N 0.683 123.575 122.820 0.119 0.000 1.908 113 A HA -0.187 4.133 4.320 -0.000 0.000 0.218 113 A C 2.270 180.002 177.584 0.248 0.000 1.181 113 A CA 1.525 53.667 52.037 0.176 0.000 0.627 113 A CB -0.439 18.550 19.000 -0.020 0.000 0.818 113 A HN 0.581 nan 8.150 nan 0.000 0.445 114 R N -0.832 119.751 120.500 0.138 0.000 2.075 114 R HA -0.074 4.266 4.340 -0.000 0.000 0.232 114 R C 2.339 178.699 176.300 0.099 0.000 1.126 114 R CA 1.561 57.730 56.100 0.115 0.000 0.963 114 R CB -0.650 29.692 30.300 0.070 0.000 0.858 114 R HN 0.627 nan 8.270 nan 0.000 0.435 115 R N 0.719 121.271 120.500 0.088 0.000 2.096 115 R HA -0.012 4.328 4.340 -0.000 0.000 0.235 115 R C 2.351 178.682 176.300 0.051 0.000 1.127 115 R CA 1.058 57.196 56.100 0.063 0.000 0.968 115 R CB -0.207 30.131 30.300 0.063 0.000 0.861 115 R HN 0.144 nan 8.270 nan 0.000 0.440 116 I N -0.566 120.051 120.570 0.079 0.000 2.179 116 I HA -0.259 3.911 4.170 -0.000 0.000 0.242 116 I C 2.295 178.369 176.117 -0.071 0.000 1.088 116 I CA 1.055 62.369 61.300 0.024 0.000 1.357 116 I CB -0.264 37.791 38.000 0.091 0.000 1.051 116 I HN 0.108 nan 8.210 nan 0.000 0.409 117 V N 0.453 120.346 119.914 -0.035 0.000 2.427 117 V HA -0.295 3.825 4.120 -0.000 0.000 0.248 117 V C 2.355 178.412 176.094 -0.061 0.000 1.051 117 V CA 1.864 64.090 62.300 -0.123 0.000 1.048 117 V CB -0.277 31.556 31.823 0.017 0.000 0.666 117 V HN 0.468 nan 8.190 nan 0.000 0.456 118 Q N 0.063 119.857 119.800 -0.009 0.000 2.061 118 Q HA -0.172 4.168 4.340 -0.000 0.000 0.204 118 Q C 1.551 177.537 176.000 -0.024 0.000 0.984 118 Q CA 1.962 57.761 55.803 -0.007 0.000 0.846 118 Q CB -0.184 28.561 28.738 0.011 0.000 0.902 118 Q HN 0.621 nan 8.270 nan 0.000 0.421 119 N N -0.165 118.517 118.700 -0.030 0.000 2.268 119 N HA 0.106 4.846 4.740 -0.000 0.000 0.204 119 N C -0.702 174.775 175.510 -0.054 0.000 1.124 119 N CA 0.097 53.128 53.050 -0.032 0.000 0.838 119 N CB 0.957 39.433 38.487 -0.019 0.000 0.994 119 N HN -0.039 nan 8.380 nan 0.000 0.489 120 S N 0.609 116.259 115.700 -0.085 0.000 2.501 120 S HA 0.450 4.920 4.470 -0.000 0.000 0.301 120 S C -0.275 174.267 174.600 -0.097 0.000 1.096 120 S CA -0.728 57.405 58.200 -0.111 0.000 1.063 120 S CB 1.834 64.919 63.200 -0.192 0.000 1.042 120 S HN 0.152 nan 8.310 nan 0.000 0.494 121 N N 0.502 119.156 118.700 -0.077 0.000 2.357 121 N HA 0.665 5.405 4.740 -0.000 0.000 0.284 121 N C 0.341 175.822 175.510 -0.047 0.000 1.236 121 N CA 0.128 53.143 53.050 -0.059 0.000 0.774 121 N CB 2.020 40.485 38.487 -0.035 0.000 1.534 121 N HN 0.859 nan 8.380 nan 0.000 0.478 122 G N 0.598 109.380 108.800 -0.030 0.000 2.539 122 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.256 122 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.256 122 G C -0.923 173.982 174.900 0.009 0.000 1.233 122 G CA -0.066 45.040 45.100 0.010 0.000 0.936 122 G HN 0.598 nan 8.290 nan 0.000 0.571 123 Y N 2.563 122.808 120.300 -0.092 0.000 2.326 123 Y HA 0.683 5.233 4.550 -0.000 0.000 0.337 123 Y C 0.400 176.199 175.900 -0.167 0.000 1.023 123 Y CA -0.300 57.707 58.100 -0.155 0.000 1.143 123 Y CB 0.820 39.157 38.460 -0.205 0.000 1.183 123 Y HN 0.587 nan 8.280 nan 0.000 0.485 124 K N 6.829 126.812 120.400 -0.695 0.000 2.508 124 K HA 0.514 4.834 4.320 -0.000 0.000 0.260 124 K C -1.663 174.499 176.600 -0.729 0.000 0.949 124 K CA -0.907 55.041 56.287 -0.565 0.000 0.834 124 K CB 2.630 34.953 32.500 -0.296 0.000 1.365 124 K HN 0.595 nan 8.250 nan 0.000 0.437 125 I N 2.149 122.433 120.570 -0.478 0.000 2.339 125 I HA 0.224 4.394 4.170 -0.000 0.000 0.290 125 I C -0.615 175.383 176.117 -0.198 0.000 0.994 125 I CA -1.058 60.047 61.300 -0.326 0.000 1.191 125 I CB 1.638 39.514 38.000 -0.208 0.000 1.343 125 I HN 0.154 nan 8.210 nan 0.000 0.458 126 V N 5.457 125.310 119.914 -0.102 0.000 2.370 126 V HA 0.362 4.482 4.120 -0.000 0.000 0.283 126 V C 0.072 176.162 176.094 -0.007 0.000 1.023 126 V CA -0.299 61.996 62.300 -0.009 0.000 0.857 126 V CB 1.519 33.459 31.823 0.195 0.000 0.985 126 V HN 0.707 nan 8.190 nan 0.000 0.443 127 T N 4.345 118.874 114.554 -0.042 0.000 2.815 127 T HA 0.290 4.639 4.350 -0.000 0.000 0.289 127 T C -0.218 174.563 174.700 0.135 0.000 1.000 127 T CA -0.356 61.751 62.100 0.013 0.000 0.958 127 T CB 1.087 69.896 68.868 -0.098 0.000 0.944 127 T HN 0.775 nan 8.240 nan 0.000 0.442 128 E N 2.837 123.104 120.200 0.111 0.000 2.003 128 E HA 0.184 4.534 4.350 -0.000 0.000 0.279 128 E C 0.940 177.612 176.600 0.120 0.000 1.132 128 E CA -0.178 56.287 56.400 0.108 0.000 0.888 128 E CB 0.431 30.165 29.700 0.057 0.000 1.056 128 E HN 0.548 nan 8.360 nan 0.000 0.399 129 K N 2.314 122.805 120.400 0.151 0.000 2.308 129 K HA 0.130 4.450 4.320 -0.000 0.000 0.197 129 K C 0.137 176.742 176.600 0.008 0.000 1.049 129 K CA 0.001 56.335 56.287 0.079 0.000 0.991 129 K CB 0.443 32.983 32.500 0.067 0.000 0.836 129 K HN 0.324 nan 8.250 nan 0.000 0.500 130 S N 1.452 117.173 115.700 0.034 0.000 2.558 130 S HA -0.020 4.450 4.470 -0.000 0.000 0.287 130 S C -0.247 174.354 174.600 0.001 0.000 1.321 130 S CA 0.077 58.289 58.200 0.020 0.000 1.048 130 S CB 1.027 64.256 63.200 0.048 0.000 0.844 130 S HN 0.216 nan 8.310 nan 0.000 0.512 131 T N 3.459 118.007 114.554 -0.009 0.000 2.737 131 T HA 0.455 4.805 4.350 -0.000 0.000 0.296 131 T C 0.152 174.859 174.700 0.011 0.000 0.922 131 T CA -0.515 61.577 62.100 -0.014 0.000 1.079 131 T CB -0.089 68.767 68.868 -0.020 0.000 0.892 131 T HN 0.521 nan 8.240 nan 0.000 0.514 132 V N 2.146 122.069 119.914 0.015 0.000 3.102 132 V HA 0.774 4.893 4.120 -0.000 0.000 0.312 132 V C -2.902 173.212 176.094 0.034 0.000 1.135 132 V CA -3.261 59.056 62.300 0.028 0.000 1.022 132 V CB 1.468 33.310 31.823 0.031 0.000 1.056 132 V HN 0.430 nan 8.190 nan 0.000 0.436 133 P HA 0.198 nan 4.420 nan 0.000 0.269 133 P C -0.176 177.161 177.300 0.061 0.000 1.215 133 P CA -0.084 63.050 63.100 0.056 0.000 0.780 133 P CB 0.369 32.112 31.700 0.071 0.000 0.898 134 V N 5.034 124.989 119.914 0.069 0.000 2.694 134 V HA -0.057 4.063 4.120 -0.000 0.000 0.306 134 V C 1.387 177.531 176.094 0.083 0.000 1.054 134 V CA 0.531 62.886 62.300 0.093 0.000 1.161 134 V CB -0.648 31.235 31.823 0.100 0.000 0.916 134 V HN 0.659 nan 8.190 nan 0.000 0.490 135 R N 1.401 121.970 120.500 0.116 0.000 3.892 135 R HA -0.220 4.120 4.340 -0.000 0.000 0.441 135 R C 1.255 177.587 176.300 0.052 0.000 1.052 135 R CA 1.041 57.190 56.100 0.082 0.000 1.190 135 R CB -2.366 27.942 30.300 0.013 0.000 1.808 135 R HN 0.943 nan 8.270 nan 0.000 0.538 136 A N 0.700 123.551 122.820 0.051 0.000 1.930 136 A HA 0.140 4.460 4.320 -0.000 0.000 0.217 136 A C 2.326 179.912 177.584 0.005 0.000 1.175 136 A CA 1.900 53.951 52.037 0.024 0.000 0.627 136 A CB -0.335 18.681 19.000 0.027 0.000 0.815 136 A HN 0.510 nan 8.150 nan 0.000 0.443 137 A N -0.335 122.501 122.820 0.026 0.000 1.978 137 A HA -0.204 4.116 4.320 -0.000 0.000 0.220 137 A C 1.928 179.501 177.584 -0.019 0.000 1.170 137 A CA 1.865 53.904 52.037 0.004 0.000 0.636 137 A CB -0.524 18.501 19.000 0.042 0.000 0.810 137 A HN 0.650 nan 8.150 nan 0.000 0.448 138 E N -0.152 120.059 120.200 0.019 0.000 2.118 138 E HA -0.153 4.197 4.350 -0.000 0.000 0.195 138 E C 2.180 178.751 176.600 -0.048 0.000 0.992 138 E CA 1.364 57.764 56.400 0.000 0.000 0.804 138 E CB -0.073 29.633 29.700 0.009 0.000 0.741 138 E HN 0.603 nan 8.360 nan 0.000 0.458 139 S N 0.165 115.832 115.700 -0.056 0.000 2.368 139 S HA -0.132 4.337 4.470 -0.000 0.000 0.225 139 S C 1.902 176.408 174.600 -0.158 0.000 1.030 139 S CA 0.968 59.120 58.200 -0.079 0.000 0.999 139 S CB -0.176 62.991 63.200 -0.055 0.000 0.844 139 S HN 0.291 nan 8.310 nan 0.000 0.459 140 I N 1.139 121.573 120.570 -0.226 0.000 2.142 140 I HA -0.206 3.964 4.170 -0.000 0.000 0.240 140 I C 2.698 178.427 176.117 -0.647 0.000 1.078 140 I CA 1.286 62.294 61.300 -0.487 0.000 1.343 140 I CB -0.416 37.296 38.000 -0.480 0.000 1.046 140 I HN 0.190 nan 8.210 nan 0.000 0.405 141 R N 1.572 121.865 120.500 -0.345 0.000 2.113 141 R HA -0.207 4.133 4.340 -0.000 0.000 0.244 141 R C 2.319 178.568 176.300 -0.086 0.000 1.142 141 R CA 1.839 57.845 56.100 -0.158 0.000 0.953 141 R CB -0.460 29.814 30.300 -0.043 0.000 0.860 141 R HN 0.232 nan 8.270 nan 0.000 0.438 142 R N -0.467 119.981 120.500 -0.088 0.000 2.081 142 R HA -0.033 4.307 4.340 -0.000 0.000 0.235 142 R C 2.394 178.683 176.300 -0.019 0.000 1.131 142 R CA 1.838 57.916 56.100 -0.037 0.000 0.960 142 R CB -0.400 29.879 30.300 -0.036 0.000 0.856 142 R HN 0.288 nan 8.270 nan 0.000 0.436 143 I N -0.142 120.386 120.570 -0.071 0.000 2.226 143 I HA -0.291 3.879 4.170 -0.000 0.000 0.245 143 I C 1.927 178.143 176.117 0.166 0.000 1.100 143 I CA 1.505 62.806 61.300 0.002 0.000 1.374 143 I CB -0.289 37.681 38.000 -0.049 0.000 1.057 143 I HN 0.158 nan 8.210 nan 0.000 0.413 144 F N 0.905 120.851 119.950 -0.006 0.000 2.102 144 F HA -0.249 4.278 4.527 0.000 0.000 0.298 144 F C 2.383 178.177 175.800 -0.011 0.000 1.105 144 F CA 0.519 58.511 58.000 -0.013 0.000 1.239 144 F CB -0.385 38.601 39.000 -0.023 0.000 0.991 144 F HN 0.127 nan 8.300 nan 0.000 0.474 145 D N 0.615 121.125 120.400 0.184 0.000 2.182 145 D HA -0.153 4.487 4.640 -0.000 0.000 0.201 145 D C 2.080 178.421 176.300 0.069 0.000 0.986 145 D CA 1.243 55.302 54.000 0.097 0.000 0.847 145 D CB -0.355 40.483 40.800 0.064 0.000 0.942 145 D HN 0.233 nan 8.370 nan 0.000 0.467 146 A N 0.057 122.919 122.820 0.070 0.000 2.169 146 A HA -0.014 4.306 4.320 -0.000 0.000 0.212 146 A C 1.082 178.696 177.584 0.050 0.000 1.153 146 A CA 0.415 52.481 52.037 0.049 0.000 0.756 146 A CB 0.102 19.125 19.000 0.039 0.000 0.813 146 A HN 0.091 nan 8.150 nan 0.000 0.471 147 N N 0.237 118.978 118.700 0.068 0.000 2.599 147 N HA 0.066 4.806 4.740 -0.000 0.000 0.309 147 N C -0.560 174.966 175.510 0.028 0.000 1.743 147 N CA 0.038 53.119 53.050 0.051 0.000 0.918 147 N CB 0.811 39.340 38.487 0.070 0.000 1.339 147 N HN 0.192 nan 8.380 nan 0.000 0.493 148 T N 0.770 115.338 114.554 0.022 0.000 2.918 148 T HA 0.232 4.581 4.350 -0.000 0.000 0.302 148 T C -0.018 174.677 174.700 -0.008 0.000 1.045 148 T CA 0.339 62.441 62.100 0.003 0.000 1.114 148 T CB 0.749 69.624 68.868 0.011 0.000 0.965 148 T HN 0.151 nan 8.240 nan 0.000 0.540 149 K N 3.903 124.289 120.400 -0.022 0.000 2.340 149 K HA 0.487 4.807 4.320 -0.000 0.000 0.244 149 K C -2.754 173.836 176.600 -0.017 0.000 0.973 149 K CA -2.226 54.049 56.287 -0.020 0.000 0.828 149 K CB 1.417 33.899 32.500 -0.030 0.000 1.226 149 K HN 0.319 nan 8.250 nan 0.000 0.437 150 P HA -0.018 nan 4.420 nan 0.000 0.261 150 P C -0.620 176.674 177.300 -0.010 0.000 1.183 150 P CA 0.446 63.542 63.100 -0.008 0.000 0.761 150 P CB 0.196 31.892 31.700 -0.005 0.000 0.785 151 N N -0.820 117.876 118.700 -0.006 0.000 2.909 151 N HA -0.193 4.547 4.740 -0.000 0.000 0.242 151 N C -0.170 175.335 175.510 -0.009 0.000 0.975 151 N CA 0.552 53.601 53.050 -0.002 0.000 0.921 151 N CB -1.438 37.049 38.487 0.000 0.000 1.112 151 N HN 0.314 nan 8.380 nan 0.000 0.581 152 L N 1.872 123.079 121.223 -0.027 0.000 2.319 152 L HA 0.450 4.790 4.340 -0.000 0.000 0.280 152 L C 0.244 177.079 176.870 -0.058 0.000 1.099 152 L CA 0.069 54.873 54.840 -0.059 0.000 0.828 152 L CB 0.685 42.693 42.059 -0.086 0.000 1.150 152 L HN 0.120 nan 8.230 nan 0.000 0.442 153 N N 5.276 123.929 118.700 -0.078 0.000 2.675 153 N HA 0.303 5.043 4.740 -0.000 0.000 0.254 153 N C -1.817 173.558 175.510 -0.225 0.000 1.224 153 N CA -0.319 52.690 53.050 -0.069 0.000 0.777 153 N CB 0.326 38.854 38.487 0.068 0.000 1.256 153 N HN 0.591 nan 8.380 nan 0.000 0.531 154 L N 1.939 123.017 121.223 -0.242 0.000 2.275 154 L HA 0.474 4.814 4.340 -0.000 0.000 0.288 154 L C 0.200 176.986 176.870 -0.140 0.000 1.046 154 L CA -0.689 53.959 54.840 -0.320 0.000 0.805 154 L CB 1.255 42.973 42.059 -0.568 0.000 1.193 154 L HN 0.208 nan 8.230 nan 0.000 0.426 155 Q N 3.159 122.829 119.800 -0.217 0.000 2.282 155 Q HA 0.472 4.812 4.340 -0.000 0.000 0.260 155 Q C -0.741 175.255 176.000 -0.007 0.000 0.964 155 Q CA -0.615 55.132 55.803 -0.093 0.000 0.880 155 Q CB 2.911 31.554 28.738 -0.159 0.000 1.286 155 Q HN 0.338 nan 8.270 nan 0.000 0.445 156 V N 4.376 124.319 119.914 0.050 0.000 2.370 156 V HA 0.476 4.596 4.120 -0.000 0.000 0.283 156 V C 0.060 176.168 176.094 0.022 0.000 1.023 156 V CA -0.488 61.843 62.300 0.052 0.000 0.857 156 V CB 1.128 32.972 31.823 0.035 0.000 0.985 156 V HN 0.559 nan 8.190 nan 0.000 0.443 157 L N 3.178 124.411 121.223 0.017 0.000 2.323 157 L HA 0.669 5.009 4.340 -0.000 0.000 0.265 157 L C 0.083 176.973 176.870 0.032 0.000 1.012 157 L CA -0.468 54.383 54.840 0.019 0.000 0.820 157 L CB 2.288 44.359 42.059 0.021 0.000 1.334 157 L HN 0.629 nan 8.230 nan 0.000 0.427 158 S N 1.402 117.118 115.700 0.026 0.000 2.475 158 S HA 0.386 4.855 4.470 -0.000 0.000 0.298 158 S C -0.561 174.067 174.600 0.047 0.000 1.119 158 S CA -0.557 57.662 58.200 0.032 0.000 1.085 158 S CB 0.702 63.906 63.200 0.007 0.000 1.028 158 S HN 0.754 nan 8.310 nan 0.000 0.489 159 N N 4.577 123.317 118.700 0.065 0.000 2.716 159 N HA 0.288 5.028 4.740 -0.000 0.000 0.245 159 N C -3.068 172.429 175.510 -0.021 0.000 1.495 159 N CA -1.336 51.759 53.050 0.074 0.000 0.759 159 N CB 1.022 39.652 38.487 0.238 0.000 1.261 159 N HN 0.340 nan 8.380 nan 0.000 0.515 160 P HA 0.013 nan 4.420 nan 0.000 0.268 160 P C -0.582 176.391 177.300 -0.544 0.000 1.208 160 P CA 0.319 63.217 63.100 -0.336 0.000 0.777 160 P CB 0.709 32.152 31.700 -0.428 0.000 0.875 161 E N 1.010 120.895 120.200 -0.524 0.000 2.179 161 E HA 0.382 4.732 4.350 -0.000 0.000 0.275 161 E C -0.970 175.287 176.600 -0.571 0.000 0.945 161 E CA -0.274 55.870 56.400 -0.426 0.000 0.792 161 E CB 0.292 29.881 29.700 -0.185 0.000 1.125 161 E HN 0.253 nan 8.360 nan 0.000 0.397 162 F N 2.916 122.860 119.950 -0.010 0.000 2.706 162 F HA 0.228 4.755 4.527 -0.000 0.000 0.313 162 F C 0.078 175.884 175.800 0.009 0.000 1.096 162 F CA -0.595 57.401 58.000 -0.007 0.000 1.219 162 F CB -0.182 38.799 39.000 -0.032 0.000 1.051 162 F HN 0.351 nan 8.300 nan 0.000 0.568 163 L N 0.476 121.781 121.223 0.138 0.000 2.506 163 L HA 0.562 4.902 4.340 -0.000 0.000 0.281 163 L C 0.089 177.020 176.870 0.101 0.000 1.228 163 L CA -0.781 54.127 54.840 0.114 0.000 0.850 163 L CB -0.239 41.876 42.059 0.094 0.000 1.110 163 L HN 0.021 nan 8.230 nan 0.000 0.496 164 A N 2.122 125.001 122.820 0.098 0.000 2.324 164 A HA 0.549 4.869 4.320 -0.000 0.000 0.330 164 A C -0.056 177.580 177.584 0.088 0.000 1.165 164 A CA -0.718 51.374 52.037 0.091 0.000 0.813 164 A CB 0.255 19.319 19.000 0.106 0.000 1.197 164 A HN 0.856 nan 8.150 nan 0.000 0.484 165 E N 0.079 120.347 120.200 0.113 0.000 2.398 165 E HA 0.373 4.723 4.350 -0.000 0.000 0.263 165 E C 1.203 177.811 176.600 0.012 0.000 1.046 165 E CA 1.037 57.507 56.400 0.117 0.000 0.908 165 E CB 0.484 30.303 29.700 0.199 0.000 0.963 165 E HN 1.277 nan 8.360 nan 0.000 0.431 166 G N 1.889 110.687 108.800 -0.004 0.000 2.320 166 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.242 166 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.242 166 G C 0.817 175.691 174.900 -0.043 0.000 1.033 166 G CA 0.679 45.740 45.100 -0.065 0.000 0.620 166 G HN 0.662 nan 8.290 nan 0.000 0.517 167 T N -2.692 111.858 114.554 -0.006 0.000 3.393 167 T HA 0.730 5.080 4.350 -0.000 0.000 0.298 167 T C 1.822 176.542 174.700 0.033 0.000 1.004 167 T CA 1.200 63.306 62.100 0.010 0.000 0.956 167 T CB 0.713 69.596 68.868 0.025 0.000 1.182 167 T HN 1.390 nan 8.240 nan 0.000 0.497 168 A N 2.299 125.141 122.820 0.037 0.000 1.883 168 A HA 0.060 4.380 4.320 -0.000 0.000 0.217 168 A C 2.152 179.768 177.584 0.053 0.000 1.186 168 A CA 1.263 53.336 52.037 0.061 0.000 0.624 168 A CB -0.596 18.452 19.000 0.079 0.000 0.822 168 A HN 0.495 nan 8.150 nan 0.000 0.444 169 I N 0.224 120.808 120.570 0.023 0.000 2.179 169 I HA -0.218 3.952 4.170 -0.000 0.000 0.242 169 I C 3.039 179.179 176.117 0.037 0.000 1.088 169 I CA 2.037 63.344 61.300 0.012 0.000 1.357 169 I CB -1.655 36.328 38.000 -0.028 0.000 1.051 169 I HN 0.492 nan 8.210 nan 0.000 0.409 170 K N 0.617 121.040 120.400 0.037 0.000 2.057 170 K HA -0.199 4.121 4.320 -0.000 0.000 0.207 170 K C 1.765 178.414 176.600 0.082 0.000 1.049 170 K CA 1.959 58.278 56.287 0.054 0.000 0.931 170 K CB -1.103 31.422 32.500 0.041 0.000 0.714 170 K HN 0.362 nan 8.250 nan 0.000 0.440 171 D N 0.485 120.934 120.400 0.081 0.000 2.117 171 D HA -0.069 4.571 4.640 -0.000 0.000 0.197 171 D C 1.950 178.334 176.300 0.140 0.000 0.987 171 D CA 1.118 55.177 54.000 0.098 0.000 0.829 171 D CB -0.099 40.757 40.800 0.094 0.000 0.961 171 D HN 0.408 nan 8.370 nan 0.000 0.460 172 L N 0.385 121.701 121.223 0.155 0.000 2.109 172 L HA -0.094 4.246 4.340 -0.000 0.000 0.207 172 L C 2.285 179.391 176.870 0.392 0.000 1.086 172 L CA 1.011 55.994 54.840 0.240 0.000 0.760 172 L CB -0.133 42.032 42.059 0.177 0.000 0.910 172 L HN -0.053 nan 8.230 nan 0.000 0.437 173 K N -0.445 120.118 120.400 0.272 0.000 2.228 173 K HA -0.067 4.253 4.320 -0.000 0.000 0.202 173 K C 0.534 177.367 176.600 0.389 0.000 1.051 173 K CA 0.621 57.107 56.287 0.331 0.000 0.960 173 K CB 0.031 32.617 32.500 0.143 0.000 0.743 173 K HN 0.083 nan 8.250 nan 0.000 0.458 174 N N 0.693 119.536 118.700 0.239 0.000 2.703 174 N HA 0.125 4.865 4.740 -0.000 0.000 0.283 174 N C -2.913 172.655 175.510 0.097 0.000 1.851 174 N CA -1.863 51.279 53.050 0.154 0.000 0.826 174 N CB 0.735 39.289 38.487 0.111 0.000 1.239 174 N HN -0.124 nan 8.380 nan 0.000 0.495 175 P HA 0.229 nan 4.420 nan 0.000 0.275 175 P C 0.116 177.407 177.300 -0.016 0.000 1.227 175 P CA -0.076 63.049 63.100 0.041 0.000 0.781 175 P CB 1.467 33.184 31.700 0.028 0.000 0.906 176 D N 1.241 121.617 120.400 -0.041 0.000 2.149 176 D HA -0.107 4.533 4.640 -0.000 0.000 0.198 176 D C 1.067 177.296 176.300 -0.119 0.000 0.990 176 D CA 1.712 55.661 54.000 -0.086 0.000 0.839 176 D CB 0.202 40.927 40.800 -0.125 0.000 0.948 176 D HN 0.472 nan 8.370 nan 0.000 0.460 177 R N -0.920 119.497 120.500 -0.138 0.000 2.690 177 R HA 0.432 4.772 4.340 -0.000 0.000 0.269 177 R C -1.848 174.398 176.300 -0.090 0.000 1.037 177 R CA -0.755 55.261 56.100 -0.141 0.000 0.877 177 R CB 0.673 30.863 30.300 -0.183 0.000 1.255 177 R HN -0.183 nan 8.270 nan 0.000 0.467 178 V N 2.096 121.938 119.914 -0.121 0.000 2.459 178 V HA 0.513 4.633 4.120 -0.000 0.000 0.295 178 V C -0.705 175.349 176.094 -0.067 0.000 1.029 178 V CA -0.921 61.288 62.300 -0.153 0.000 0.874 178 V CB 1.544 33.107 31.823 -0.433 0.000 0.985 178 V HN 0.640 nan 8.190 nan 0.000 0.438 179 L N 6.742 127.988 121.223 0.039 0.000 2.333 179 L HA 0.710 5.050 4.340 -0.000 0.000 0.280 179 L C -0.800 176.074 176.870 0.007 0.000 1.004 179 L CA 0.076 54.950 54.840 0.056 0.000 0.820 179 L CB 1.395 43.576 42.059 0.204 0.000 1.247 179 L HN 0.557 nan 8.230 nan 0.000 0.416 180 I N 4.402 124.969 120.570 -0.005 0.000 2.478 180 I HA 0.574 4.744 4.170 -0.000 0.000 0.287 180 I C 0.199 176.302 176.117 -0.023 0.000 1.042 180 I CA -0.538 60.768 61.300 0.010 0.000 1.067 180 I CB 2.074 40.099 38.000 0.041 0.000 1.233 180 I HN 0.731 nan 8.210 nan 0.000 0.431 181 G N 3.467 112.248 108.800 -0.032 0.000 2.379 181 G HA2 0.787 4.747 3.960 -0.000 0.000 0.327 181 G HA3 0.787 4.747 3.960 -0.000 0.000 0.327 181 G C -0.571 174.290 174.900 -0.064 0.000 1.145 181 G CA -0.658 44.391 45.100 -0.085 0.000 0.905 181 G HN 0.847 nan 8.290 nan 0.000 0.466 182 G N 0.743 109.488 108.800 -0.091 0.000 2.623 182 G HA2 0.500 4.460 3.960 -0.000 0.000 0.290 182 G HA3 0.500 4.460 3.960 -0.000 0.000 0.290 182 G C -1.439 173.420 174.900 -0.068 0.000 1.437 182 G CA -0.808 44.261 45.100 -0.052 0.000 0.798 182 G HN 0.464 nan 8.290 nan 0.000 0.488 183 D N 0.188 120.579 120.400 -0.015 0.000 2.382 183 D HA 0.406 5.046 4.640 -0.000 0.000 0.240 183 D C 1.532 177.833 176.300 0.002 0.000 1.146 183 D CA 0.621 54.628 54.000 0.012 0.000 0.897 183 D CB 1.100 41.934 40.800 0.057 0.000 1.197 183 D HN 0.692 nan 8.370 nan 0.000 0.432 184 E N 0.588 120.796 120.200 0.015 0.000 2.516 184 E HA -0.019 4.331 4.350 -0.000 0.000 0.199 184 E C 0.995 177.610 176.600 0.024 0.000 1.069 184 E CA 0.519 56.927 56.400 0.013 0.000 0.876 184 E CB -0.894 28.822 29.700 0.026 0.000 0.843 184 E HN 0.552 nan 8.360 nan 0.000 0.530 185 T N -2.586 111.988 114.554 0.032 0.000 2.860 185 T HA 0.258 4.608 4.350 -0.000 0.000 0.299 185 T C -1.606 173.109 174.700 0.025 0.000 1.045 185 T CA -0.784 61.335 62.100 0.032 0.000 1.071 185 T CB 1.396 70.286 68.868 0.038 0.000 0.985 185 T HN -0.079 nan 8.240 nan 0.000 0.537 186 P HA -0.072 nan 4.420 nan 0.000 0.216 186 P C 1.604 178.919 177.300 0.025 0.000 1.150 186 P CA 0.911 64.023 63.100 0.019 0.000 0.837 186 P CB 0.105 31.814 31.700 0.015 0.000 0.786 187 E N -0.638 119.581 120.200 0.032 0.000 2.072 187 E HA -0.076 4.274 4.350 -0.000 0.000 0.191 187 E C 2.302 178.933 176.600 0.052 0.000 0.985 187 E CA 1.481 57.910 56.400 0.048 0.000 0.801 187 E CB -1.035 28.700 29.700 0.057 0.000 0.750 187 E HN 0.238 nan 8.360 nan 0.000 0.452 188 G N 1.499 110.323 108.800 0.040 0.000 2.446 188 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.217 188 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.217 188 G C 1.552 176.469 174.900 0.028 0.000 1.168 188 G CA 0.508 45.627 45.100 0.032 0.000 0.771 188 G HN 0.140 nan 8.290 nan 0.000 0.551 189 Q N 0.159 119.973 119.800 0.024 0.000 2.167 189 Q HA 0.039 4.379 4.340 -0.000 0.000 0.202 189 Q C 2.716 178.737 176.000 0.035 0.000 0.970 189 Q CA 0.674 56.490 55.803 0.022 0.000 0.855 189 Q CB -0.298 28.449 28.738 0.014 0.000 0.911 189 Q HN 0.485 nan 8.270 nan 0.000 0.438 190 R N 0.117 120.642 120.500 0.041 0.000 2.096 190 R HA -0.051 4.289 4.340 -0.000 0.000 0.235 190 R C 2.179 178.531 176.300 0.087 0.000 1.127 190 R CA 1.105 57.238 56.100 0.055 0.000 0.968 190 R CB -0.265 30.055 30.300 0.035 0.000 0.861 190 R HN 0.197 nan 8.270 nan 0.000 0.440 191 A N 0.609 123.480 122.820 0.085 0.000 1.898 191 A HA -0.098 4.222 4.320 -0.000 0.000 0.216 191 A C 2.340 179.969 177.584 0.076 0.000 1.181 191 A CA 1.193 53.282 52.037 0.086 0.000 0.620 191 A CB -0.509 18.515 19.000 0.039 0.000 0.819 191 A HN 0.103 nan 8.150 nan 0.000 0.442 192 V N -0.446 119.503 119.914 0.057 0.000 2.287 192 V HA -0.278 3.842 4.120 -0.000 0.000 0.248 192 V C 2.862 179.000 176.094 0.073 0.000 1.053 192 V CA 2.317 64.651 62.300 0.056 0.000 1.027 192 V CB -0.968 30.873 31.823 0.029 0.000 0.646 192 V HN 0.726 nan 8.190 nan 0.000 0.447 193 Q N -0.758 119.084 119.800 0.070 0.000 2.084 193 Q HA -0.201 4.139 4.340 -0.000 0.000 0.202 193 Q C 2.400 178.460 176.000 0.099 0.000 0.978 193 Q CA 1.830 57.676 55.803 0.072 0.000 0.844 193 Q CB -0.695 28.078 28.738 0.059 0.000 0.898 193 Q HN 0.830 nan 8.270 nan 0.000 0.426 194 A N 0.095 122.998 122.820 0.138 0.000 1.933 194 A HA -0.085 4.235 4.320 -0.000 0.000 0.218 194 A C 2.081 179.749 177.584 0.140 0.000 1.175 194 A CA 1.731 53.878 52.037 0.184 0.000 0.628 194 A CB -0.661 18.547 19.000 0.346 0.000 0.814 194 A HN 0.533 nan 8.150 nan 0.000 0.444 195 L N -0.352 120.945 121.223 0.123 0.000 2.109 195 L HA -0.099 4.241 4.340 -0.000 0.000 0.207 195 L C 2.429 179.398 176.870 0.164 0.000 1.086 195 L CA 1.831 56.739 54.840 0.114 0.000 0.760 195 L CB -0.967 41.176 42.059 0.139 0.000 0.910 195 L HN 0.467 nan 8.230 nan 0.000 0.437 196 C N -0.341 119.058 119.300 0.165 0.000 2.413 196 C HA -0.161 4.299 4.460 -0.000 0.000 0.276 196 C C 2.998 178.060 174.990 0.120 0.000 1.248 196 C CA 0.719 59.833 59.018 0.160 0.000 1.742 196 C CB -1.660 26.133 27.740 0.088 0.000 2.017 196 C HN 0.706 nan 8.230 nan 0.000 0.481 197 A N 0.320 123.197 122.820 0.095 0.000 1.940 197 A HA -0.111 4.209 4.320 -0.000 0.000 0.219 197 A C 2.271 179.957 177.584 0.170 0.000 1.176 197 A CA 2.236 54.322 52.037 0.082 0.000 0.631 197 A CB -0.711 18.332 19.000 0.072 0.000 0.814 197 A HN 0.387 nan 8.150 nan 0.000 0.446 198 V N -1.436 118.566 119.914 0.146 0.000 2.233 198 V HA -0.323 3.796 4.120 -0.000 0.000 0.247 198 V C 2.350 178.531 176.094 0.146 0.000 1.050 198 V CA 2.185 64.571 62.300 0.145 0.000 1.010 198 V CB -1.220 30.549 31.823 -0.091 0.000 0.637 198 V HN 0.692 nan 8.190 nan 0.000 0.444 199 Y N 0.441 120.757 120.300 0.026 0.000 2.274 199 Y HA -0.192 4.358 4.550 -0.000 0.000 0.290 199 Y C 2.519 178.181 175.900 -0.396 0.000 1.145 199 Y CA 1.443 59.278 58.100 -0.441 0.000 1.203 199 Y CB -0.261 37.967 38.460 -0.387 0.000 0.984 199 Y HN 0.334 nan 8.280 nan 0.000 0.533 200 E N -0.881 119.330 120.200 0.018 0.000 2.472 200 E HA -0.175 4.175 4.350 -0.000 0.000 0.200 200 E C 1.210 177.826 176.600 0.027 0.000 1.046 200 E CA 0.492 56.881 56.400 -0.018 0.000 0.871 200 E CB -0.153 29.530 29.700 -0.028 0.000 0.806 200 E HN 0.655 nan 8.360 nan 0.000 0.533 201 H N -1.256 117.893 119.070 0.131 0.000 2.456 201 H HA -0.146 4.410 4.556 -0.000 0.000 0.296 201 H C 1.317 176.870 175.328 0.375 0.000 1.079 201 H CA 1.824 58.025 56.048 0.255 0.000 1.322 201 H CB -0.014 29.953 29.762 0.343 0.000 1.388 201 H HN 0.512 nan 8.280 nan 0.000 0.538 202 W N -2.384 119.022 121.300 0.176 0.000 1.952 202 W HA 0.418 5.078 4.660 -0.000 0.000 0.236 202 W C -1.343 175.242 176.519 0.109 0.000 0.880 202 W CA -0.167 57.253 57.345 0.125 0.000 1.095 202 W CB 0.455 29.989 29.460 0.124 0.000 0.933 202 W HN -0.314 nan 8.180 nan 0.000 0.553 203 V N 3.945 123.644 119.914 -0.358 0.000 2.398 203 V HA 0.415 4.535 4.120 -0.000 0.000 0.286 203 V C -1.953 174.057 176.094 -0.141 0.000 1.026 203 V CA -2.073 60.041 62.300 -0.309 0.000 0.868 203 V CB 1.142 32.674 31.823 -0.485 0.000 0.982 203 V HN -0.256 nan 8.190 nan 0.000 0.443 204 P HA 0.110 nan 4.420 nan 0.000 0.266 204 P C 0.801 178.062 177.300 -0.065 0.000 1.195 204 P CA -0.054 63.015 63.100 -0.052 0.000 0.768 204 P CB 0.605 32.283 31.700 -0.035 0.000 0.838 205 R N 2.793 123.263 120.500 -0.049 0.000 2.117 205 R HA -0.223 4.117 4.340 -0.000 0.000 0.243 205 R C 1.943 178.213 176.300 -0.049 0.000 1.143 205 R CA 2.271 58.344 56.100 -0.045 0.000 0.968 205 R CB -0.345 29.936 30.300 -0.032 0.000 0.863 205 R HN 0.536 nan 8.270 nan 0.000 0.444 206 E N 0.343 120.515 120.200 -0.046 0.000 2.265 206 E HA -0.148 4.202 4.350 -0.000 0.000 0.196 206 E C 1.276 177.839 176.600 -0.060 0.000 0.996 206 E CA 1.443 57.814 56.400 -0.047 0.000 0.832 206 E CB -0.441 29.236 29.700 -0.039 0.000 0.756 206 E HN 0.621 nan 8.360 nan 0.000 0.491 207 K N -0.222 120.135 120.400 -0.072 0.000 2.404 207 K HA 0.315 4.635 4.320 -0.000 0.000 0.194 207 K C 0.302 176.838 176.600 -0.105 0.000 1.023 207 K CA 0.050 56.283 56.287 -0.089 0.000 1.094 207 K CB 0.118 32.562 32.500 -0.094 0.000 0.841 207 K HN 0.388 nan 8.250 nan 0.000 0.523 208 I N 2.568 123.082 120.570 -0.094 0.000 2.307 208 I HA 0.170 4.340 4.170 -0.000 0.000 0.289 208 I C -0.386 175.690 176.117 -0.070 0.000 1.021 208 I CA -0.563 60.680 61.300 -0.095 0.000 1.224 208 I CB 0.841 38.794 38.000 -0.079 0.000 1.376 208 I HN -0.124 nan 8.210 nan 0.000 0.470 209 L N 6.432 127.613 121.223 -0.069 0.000 2.289 209 L HA 0.501 4.841 4.340 -0.000 0.000 0.285 209 L C 0.379 177.220 176.870 -0.047 0.000 1.049 209 L CA -0.429 54.375 54.840 -0.059 0.000 0.804 209 L CB 1.607 43.628 42.059 -0.064 0.000 1.195 209 L HN 0.599 nan 8.230 nan 0.000 0.428 210 T N -1.095 113.431 114.554 -0.047 0.000 2.863 210 T HA 0.709 5.059 4.350 -0.000 0.000 0.285 210 T C -0.376 174.281 174.700 -0.072 0.000 1.009 210 T CA -0.570 61.501 62.100 -0.048 0.000 0.989 210 T CB 2.477 71.325 68.868 -0.033 0.000 1.004 210 T HN 0.663 nan 8.240 nan 0.000 0.455 211 T N 1.297 115.791 114.554 -0.100 0.000 2.630 211 T HA 0.495 4.845 4.350 -0.000 0.000 0.300 211 T C -1.231 173.328 174.700 -0.235 0.000 1.261 211 T CA -0.602 61.404 62.100 -0.157 0.000 1.060 211 T CB 0.681 69.452 68.868 -0.162 0.000 1.670 211 T HN 0.969 nan 8.240 nan 0.000 0.473 212 N N 0.067 118.519 118.700 -0.413 0.000 2.458 212 N HA 0.310 5.050 4.740 -0.000 0.000 0.271 212 N C 1.299 176.457 175.510 -0.586 0.000 1.210 212 N CA 0.239 52.898 53.050 -0.652 0.000 0.978 212 N CB 0.270 37.963 38.487 -1.324 0.000 1.206 212 N HN 0.733 nan 8.380 nan 0.000 0.536 213 T N -3.070 111.209 114.554 -0.459 0.000 2.746 213 T HA -0.179 4.171 4.350 -0.000 0.000 0.267 213 T C 1.417 176.073 174.700 -0.073 0.000 1.039 213 T CA 1.398 63.406 62.100 -0.154 0.000 1.142 213 T CB -0.790 68.092 68.868 0.024 0.000 0.866 213 T HN 0.799 nan 8.240 nan 0.000 0.444 214 W N 2.015 123.317 121.300 0.004 0.000 2.388 214 W HA 0.206 4.865 4.660 -0.000 0.000 0.294 214 W C 2.193 178.715 176.519 0.006 0.000 1.212 214 W CA 0.622 57.968 57.345 0.003 0.000 1.271 214 W CB -0.825 28.636 29.460 0.001 0.000 1.126 214 W HN 0.113 nan 8.180 nan 0.000 0.535 215 S N 0.731 116.251 115.700 -0.300 0.000 2.368 215 S HA -0.273 4.197 4.470 -0.000 0.000 0.225 215 S C 2.034 176.588 174.600 -0.077 0.000 1.030 215 S CA 1.679 59.794 58.200 -0.142 0.000 0.999 215 S CB -0.941 62.116 63.200 -0.239 0.000 0.844 215 S HN 0.444 nan 8.310 nan 0.000 0.459 216 S N 1.367 117.001 115.700 -0.110 0.000 2.353 216 S HA -0.201 4.269 4.470 -0.000 0.000 0.222 216 S C 1.842 176.445 174.600 0.004 0.000 1.035 216 S CA 1.535 59.710 58.200 -0.041 0.000 1.025 216 S CB -0.384 62.783 63.200 -0.055 0.000 0.902 216 S HN 0.569 nan 8.310 nan 0.000 0.440 217 E N 0.148 120.358 120.200 0.015 0.000 2.085 217 E HA -0.158 4.192 4.350 -0.000 0.000 0.194 217 E C 2.082 178.707 176.600 0.042 0.000 0.994 217 E CA 1.357 57.779 56.400 0.036 0.000 0.801 217 E CB -0.279 29.462 29.700 0.068 0.000 0.743 217 E HN 0.376 nan 8.360 nan 0.000 0.453 218 L N 0.790 122.046 121.223 0.056 0.000 2.046 218 L HA -0.146 4.194 4.340 -0.000 0.000 0.208 218 L C 2.141 179.028 176.870 0.028 0.000 1.077 218 L CA 1.690 56.557 54.840 0.046 0.000 0.747 218 L CB -0.400 41.701 42.059 0.070 0.000 0.896 218 L HN -0.061 nan 8.230 nan 0.000 0.432 219 S N -0.453 115.266 115.700 0.032 0.000 2.383 219 S HA -0.230 4.240 4.470 -0.000 0.000 0.229 219 S C 1.935 176.589 174.600 0.090 0.000 1.030 219 S CA 1.549 59.770 58.200 0.034 0.000 1.002 219 S CB -0.334 62.887 63.200 0.035 0.000 0.829 219 S HN 0.382 nan 8.310 nan 0.000 0.467 220 K N 1.869 122.340 120.400 0.120 0.000 2.057 220 K HA 0.067 4.387 4.320 -0.000 0.000 0.206 220 K C 1.814 178.463 176.600 0.083 0.000 1.050 220 K CA 1.244 57.625 56.287 0.156 0.000 0.935 220 K CB -0.703 31.794 32.500 -0.006 0.000 0.715 220 K HN 0.328 nan 8.250 nan 0.000 0.439 221 L N 0.098 121.333 121.223 0.021 0.000 2.017 221 L HA -0.125 4.215 4.340 -0.000 0.000 0.208 221 L C 2.534 179.348 176.870 -0.093 0.000 1.073 221 L CA 1.382 56.203 54.840 -0.031 0.000 0.745 221 L CB -0.782 41.250 42.059 -0.045 0.000 0.894 221 L HN 0.291 nan 8.230 nan 0.000 0.432 222 A N 0.125 122.899 122.820 -0.078 0.000 1.908 222 A HA -0.205 4.115 4.320 -0.000 0.000 0.218 222 A C 2.545 180.140 177.584 0.018 0.000 1.181 222 A CA 1.877 53.870 52.037 -0.073 0.000 0.627 222 A CB -0.765 18.238 19.000 0.005 0.000 0.818 222 A HN 0.418 nan 8.150 nan 0.000 0.445 223 A N 0.082 122.896 122.820 -0.010 0.000 1.908 223 A HA -0.221 4.099 4.320 -0.000 0.000 0.218 223 A C 1.946 179.534 177.584 0.007 0.000 1.181 223 A CA 2.034 54.056 52.037 -0.026 0.000 0.627 223 A CB -0.668 18.329 19.000 -0.005 0.000 0.818 223 A HN 0.533 nan 8.150 nan 0.000 0.445 224 N N 0.182 118.891 118.700 0.015 0.000 2.188 224 N HA -0.043 4.697 4.740 -0.000 0.000 0.184 224 N C 1.833 177.141 175.510 -0.336 0.000 1.018 224 N CA 1.451 54.471 53.050 -0.049 0.000 0.858 224 N CB -0.521 38.042 38.487 0.126 0.000 0.989 224 N HN 0.456 nan 8.380 nan 0.000 0.426 225 A N 0.083 122.740 122.820 -0.271 0.000 1.877 225 A HA -0.110 4.210 4.320 -0.000 0.000 0.216 225 A C 2.003 179.498 177.584 -0.149 0.000 1.186 225 A CA 1.082 52.877 52.037 -0.402 0.000 0.620 225 A CB -0.980 17.422 19.000 -0.997 0.000 0.822 225 A HN 0.213 nan 8.150 nan 0.000 0.443 226 F N -0.089 119.764 119.950 -0.161 0.000 2.134 226 F HA -0.124 4.403 4.527 0.000 0.000 0.299 226 F C 2.152 177.900 175.800 -0.087 0.000 1.097 226 F CA 1.470 59.484 58.000 0.023 0.000 1.264 226 F CB -0.441 38.561 39.000 0.004 0.000 1.001 226 F HN 0.100 nan 8.300 nan 0.000 0.479 227 L N -0.792 120.391 121.223 -0.066 0.000 2.027 227 L HA -0.206 4.134 4.340 -0.000 0.000 0.206 227 L C 2.705 179.406 176.870 -0.282 0.000 1.074 227 L CA 1.273 55.995 54.840 -0.197 0.000 0.745 227 L CB -1.029 40.865 42.059 -0.275 0.000 0.898 227 L HN 0.114 nan 8.230 nan 0.000 0.433 228 A N -0.760 121.553 122.820 -0.846 0.000 1.933 228 A HA -0.279 4.041 4.320 -0.000 0.000 0.218 228 A C 2.253 179.697 177.584 -0.232 0.000 1.175 228 A CA 1.776 53.261 52.037 -0.921 0.000 0.628 228 A CB -0.574 17.668 19.000 -1.263 0.000 0.814 228 A HN 0.505 nan 8.150 nan 0.000 0.444 229 Q N -0.432 119.317 119.800 -0.087 0.000 2.124 229 Q HA -0.198 4.142 4.340 -0.000 0.000 0.202 229 Q C 2.249 178.278 176.000 0.049 0.000 0.977 229 Q CA 1.559 57.380 55.803 0.029 0.000 0.850 229 Q CB -0.094 28.680 28.738 0.059 0.000 0.901 229 Q HN 0.689 nan 8.270 nan 0.000 0.429 230 R N -0.165 120.386 120.500 0.085 0.000 2.081 230 R HA -0.116 4.224 4.340 -0.000 0.000 0.235 230 R C 2.283 178.668 176.300 0.142 0.000 1.131 230 R CA 1.556 57.735 56.100 0.132 0.000 0.960 230 R CB -0.270 30.154 30.300 0.206 0.000 0.856 230 R HN 0.345 nan 8.270 nan 0.000 0.436 231 I N 0.075 120.748 120.570 0.172 0.000 2.202 231 I HA -0.237 3.933 4.170 -0.000 0.000 0.242 231 I C 2.203 178.428 176.117 0.181 0.000 1.091 231 I CA 1.180 62.587 61.300 0.180 0.000 1.368 231 I CB -0.233 37.929 38.000 0.270 0.000 1.058 231 I HN 0.045 nan 8.210 nan 0.000 0.410 232 S N 0.246 116.079 115.700 0.222 0.000 2.382 232 S HA -0.162 4.308 4.470 -0.000 0.000 0.228 232 S C 2.236 176.884 174.600 0.080 0.000 1.027 232 S CA 1.602 59.898 58.200 0.161 0.000 0.991 232 S CB -0.193 63.116 63.200 0.182 0.000 0.823 232 S HN 0.367 nan 8.310 nan 0.000 0.469 233 S N 1.261 116.996 115.700 0.058 0.000 2.356 233 S HA -0.034 4.436 4.470 -0.000 0.000 0.223 233 S C 1.816 176.440 174.600 0.039 0.000 1.032 233 S CA 0.934 59.151 58.200 0.029 0.000 1.005 233 S CB -0.337 62.873 63.200 0.017 0.000 0.867 233 S HN 0.369 nan 8.310 nan 0.000 0.449 234 I N 2.706 123.308 120.570 0.053 0.000 2.394 234 I HA -0.098 4.072 4.170 -0.000 0.000 0.251 234 I C 1.639 177.778 176.117 0.036 0.000 1.136 234 I CA 1.093 62.419 61.300 0.043 0.000 1.425 234 I CB -0.474 37.553 38.000 0.045 0.000 1.079 234 I HN 0.119 nan 8.210 nan 0.000 0.425 235 N N 0.132 118.857 118.700 0.042 0.000 2.188 235 N HA -0.156 4.584 4.740 -0.000 0.000 0.184 235 N C 2.142 177.682 175.510 0.050 0.000 1.018 235 N CA 1.576 54.643 53.050 0.028 0.000 0.858 235 N CB -0.536 37.962 38.487 0.017 0.000 0.989 235 N HN 0.535 nan 8.380 nan 0.000 0.426 236 S N 0.846 116.585 115.700 0.066 0.000 2.383 236 S HA -0.085 4.385 4.470 -0.000 0.000 0.229 236 S C 1.897 176.534 174.600 0.062 0.000 1.030 236 S CA 0.732 58.980 58.200 0.080 0.000 1.002 236 S CB -0.349 62.879 63.200 0.046 0.000 0.829 236 S HN 0.103 nan 8.310 nan 0.000 0.467 237 I N 3.358 123.953 120.570 0.042 0.000 2.394 237 I HA -0.092 4.078 4.170 -0.000 0.000 0.251 237 I C 2.969 179.109 176.117 0.037 0.000 1.136 237 I CA 1.435 62.756 61.300 0.034 0.000 1.425 237 I CB -2.016 36.001 38.000 0.027 0.000 1.079 237 I HN 0.620 nan 8.210 nan 0.000 0.425 238 S N 1.677 117.397 115.700 0.034 0.000 2.383 238 S HA -0.157 4.313 4.470 -0.000 0.000 0.229 238 S C 2.231 176.855 174.600 0.041 0.000 1.030 238 S CA 1.154 59.372 58.200 0.030 0.000 1.002 238 S CB -0.579 62.629 63.200 0.014 0.000 0.829 238 S HN 0.402 nan 8.310 nan 0.000 0.467 239 A N 1.839 124.693 122.820 0.058 0.000 1.897 239 A HA 0.234 4.554 4.320 -0.000 0.000 0.215 239 A C 2.325 179.952 177.584 0.072 0.000 1.181 239 A CA 1.197 53.282 52.037 0.080 0.000 0.620 239 A CB -0.839 18.259 19.000 0.163 0.000 0.821 239 A HN 0.515 nan 8.150 nan 0.000 0.443 240 L N -0.670 120.590 121.223 0.061 0.000 2.042 240 L HA -0.274 4.066 4.340 -0.000 0.000 0.210 240 L C 2.733 179.625 176.870 0.037 0.000 1.076 240 L CA 1.365 56.231 54.840 0.043 0.000 0.749 240 L CB -0.575 41.504 42.059 0.033 0.000 0.893 240 L HN 0.509 nan 8.230 nan 0.000 0.432 241 C N -0.149 119.173 119.300 0.036 0.000 2.413 241 C HA -0.173 4.287 4.460 -0.000 0.000 0.276 241 C C 2.609 177.621 174.990 0.037 0.000 1.236 241 C CA 0.825 59.863 59.018 0.033 0.000 1.735 241 C CB -0.823 26.936 27.740 0.031 0.000 2.031 241 C HN 0.526 nan 8.230 nan 0.000 0.474 242 E N 0.813 121.039 120.200 0.043 0.000 2.118 242 E HA -0.189 4.161 4.350 -0.000 0.000 0.195 242 E C 2.222 178.848 176.600 0.043 0.000 0.992 242 E CA 1.473 57.901 56.400 0.047 0.000 0.804 242 E CB -0.222 29.510 29.700 0.053 0.000 0.741 242 E HN 0.710 nan 8.360 nan 0.000 0.458 243 A N 0.662 123.507 122.820 0.042 0.000 2.072 243 A HA -0.064 4.256 4.320 -0.000 0.000 0.216 243 A C 2.174 179.776 177.584 0.030 0.000 1.156 243 A CA 1.464 53.523 52.037 0.037 0.000 0.701 243 A CB -0.171 18.852 19.000 0.038 0.000 0.816 243 A HN 0.330 nan 8.150 nan 0.000 0.458 244 T N -5.932 108.639 114.554 0.028 0.000 3.040 244 T HA 0.438 4.788 4.350 -0.000 0.000 0.266 244 T C 1.284 175.997 174.700 0.022 0.000 1.005 244 T CA 1.039 63.153 62.100 0.023 0.000 0.906 244 T CB 0.420 69.300 68.868 0.020 0.000 1.082 244 T HN 1.578 nan 8.240 nan 0.000 0.531 245 G N 1.345 110.160 108.800 0.025 0.000 2.159 245 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.256 245 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.256 245 G C 0.361 175.274 174.900 0.022 0.000 0.977 245 G CA -0.039 45.075 45.100 0.024 0.000 0.652 245 G HN 1.167 nan 8.290 nan 0.000 0.531 246 A N -0.482 122.351 122.820 0.021 0.000 2.272 246 A HA 0.659 4.979 4.320 -0.000 0.000 0.275 246 A C 0.047 177.643 177.584 0.020 0.000 1.096 246 A CA 0.556 52.604 52.037 0.018 0.000 0.822 246 A CB 0.702 19.712 19.000 0.017 0.000 1.088 246 A HN 0.623 nan 8.150 nan 0.000 0.495 247 D N -0.317 120.092 120.400 0.015 0.000 2.391 247 D HA 0.336 4.976 4.640 -0.000 0.000 0.245 247 D C 0.538 176.846 176.300 0.012 0.000 1.069 247 D CA -0.319 53.689 54.000 0.013 0.000 0.831 247 D CB 1.752 42.553 40.800 0.002 0.000 1.204 247 D HN 0.151 nan 8.370 nan 0.000 0.503 248 V N 4.115 124.039 119.914 0.015 0.000 2.490 248 V HA -0.132 3.988 4.120 -0.000 0.000 0.250 248 V C 1.625 177.724 176.094 0.010 0.000 1.061 248 V CA 1.729 64.038 62.300 0.015 0.000 1.064 248 V CB -0.263 31.570 31.823 0.017 0.000 0.670 248 V HN 0.572 nan 8.190 nan 0.000 0.461 249 E N -0.153 120.049 120.200 0.003 0.000 2.106 249 E HA -0.188 4.162 4.350 -0.000 0.000 0.192 249 E C 2.152 178.753 176.600 0.001 0.000 0.984 249 E CA 1.321 57.721 56.400 -0.001 0.000 0.806 249 E CB -0.153 29.541 29.700 -0.011 0.000 0.750 249 E HN 0.739 nan 8.360 nan 0.000 0.458 250 E N 0.431 120.631 120.200 -0.000 0.000 2.072 250 E HA -0.100 4.250 4.350 -0.000 0.000 0.191 250 E C 2.237 178.841 176.600 0.007 0.000 0.985 250 E CA 0.896 57.297 56.400 0.002 0.000 0.801 250 E CB 0.097 29.797 29.700 0.000 0.000 0.750 250 E HN 0.031 nan 8.360 nan 0.000 0.452 251 V N 1.476 121.396 119.914 0.010 0.000 2.358 251 V HA -0.239 3.881 4.120 -0.000 0.000 0.246 251 V C 2.361 178.465 176.094 0.017 0.000 1.047 251 V CA 1.768 64.076 62.300 0.014 0.000 1.035 251 V CB -0.674 31.158 31.823 0.015 0.000 0.658 251 V HN 0.286 nan 8.190 nan 0.000 0.452 252 A N -0.166 122.664 122.820 0.017 0.000 1.933 252 A HA -0.222 4.098 4.320 -0.000 0.000 0.218 252 A C 2.397 179.995 177.584 0.022 0.000 1.175 252 A CA 2.495 54.545 52.037 0.022 0.000 0.628 252 A CB -0.921 18.092 19.000 0.021 0.000 0.814 252 A HN 0.506 nan 8.150 nan 0.000 0.444 253 T N 0.242 114.806 114.554 0.017 0.000 2.737 253 T HA 0.005 4.355 4.350 -0.000 0.000 0.265 253 T C 2.258 176.968 174.700 0.016 0.000 1.038 253 T CA 1.550 63.659 62.100 0.016 0.000 1.144 253 T CB -0.462 68.412 68.868 0.010 0.000 0.866 253 T HN 0.597 nan 8.240 nan 0.000 0.434 254 A N 1.184 124.013 122.820 0.014 0.000 1.877 254 A HA -0.038 4.281 4.320 -0.000 0.000 0.216 254 A C 2.302 179.896 177.584 0.017 0.000 1.186 254 A CA 1.300 53.345 52.037 0.014 0.000 0.620 254 A CB -0.830 18.177 19.000 0.012 0.000 0.822 254 A HN 0.506 nan 8.150 nan 0.000 0.443 255 I N -0.382 120.200 120.570 0.020 0.000 2.142 255 I HA -0.212 3.958 4.170 -0.000 0.000 0.240 255 I C 2.697 178.830 176.117 0.028 0.000 1.078 255 I CA 1.281 62.595 61.300 0.024 0.000 1.343 255 I CB -0.679 37.338 38.000 0.028 0.000 1.046 255 I HN 0.405 nan 8.210 nan 0.000 0.405 256 G N 0.266 109.085 108.800 0.030 0.000 2.470 256 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.220 256 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.220 256 G C 1.683 176.599 174.900 0.027 0.000 1.121 256 G CA 0.346 45.467 45.100 0.034 0.000 0.766 256 G HN 0.267 nan 8.290 nan 0.000 0.553 257 M N 0.411 120.024 119.600 0.022 0.000 2.476 257 M HA 0.046 4.526 4.480 -0.000 0.000 0.262 257 M C 0.552 176.862 176.300 0.016 0.000 1.079 257 M CA 0.237 55.547 55.300 0.017 0.000 1.104 257 M CB 0.083 32.691 32.600 0.014 0.000 1.409 257 M HN 0.004 nan 8.290 nan 0.000 0.467 258 D N 1.457 121.868 120.400 0.018 0.000 2.363 258 D HA -0.018 4.622 4.640 -0.000 0.000 0.263 258 D C 0.683 176.994 176.300 0.018 0.000 1.258 258 D CA 0.484 54.495 54.000 0.017 0.000 0.907 258 D CB 0.801 41.612 40.800 0.019 0.000 1.107 258 D HN 0.309 nan 8.370 nan 0.000 0.495 259 Q N 2.760 122.568 119.800 0.014 0.000 2.437 259 Q HA -0.088 4.252 4.340 -0.000 0.000 0.210 259 Q C 1.516 177.523 176.000 0.013 0.000 0.972 259 Q CA 0.729 56.539 55.803 0.012 0.000 0.903 259 Q CB 0.353 29.096 28.738 0.007 0.000 0.967 259 Q HN 0.441 nan 8.270 nan 0.000 0.486 260 R N -0.230 120.279 120.500 0.015 0.000 2.153 260 R HA 0.030 4.370 4.340 -0.000 0.000 0.218 260 R C 1.838 178.155 176.300 0.029 0.000 1.072 260 R CA 0.770 56.881 56.100 0.018 0.000 0.990 260 R CB 0.131 30.442 30.300 0.019 0.000 0.889 260 R HN 0.241 nan 8.270 nan 0.000 0.452 261 I N -0.362 120.227 120.570 0.032 0.000 2.494 261 I HA 0.126 4.296 4.170 -0.000 0.000 0.250 261 I C 0.965 177.109 176.117 0.045 0.000 1.112 261 I CA 0.543 61.869 61.300 0.043 0.000 1.438 261 I CB -0.165 37.860 38.000 0.041 0.000 1.111 261 I HN 0.258 nan 8.210 nan 0.000 0.431 262 G N 2.299 111.121 108.800 0.036 0.000 2.712 262 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.686 262 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.686 262 G C -0.131 174.798 174.900 0.049 0.000 1.321 262 G CA 0.014 45.135 45.100 0.036 0.000 0.813 262 G HN 0.478 nan 8.290 nan 0.000 0.599 263 N N -0.914 117.816 118.700 0.050 0.000 2.203 263 N HA 0.161 4.901 4.740 -0.000 0.000 0.207 263 N C 0.299 175.859 175.510 0.083 0.000 1.130 263 N CA 0.049 53.133 53.050 0.057 0.000 0.861 263 N CB 0.552 39.064 38.487 0.042 0.000 1.005 263 N HN 0.524 nan 8.380 nan 0.000 0.507 264 K N 0.353 120.818 120.400 0.108 0.000 2.098 264 K HA 0.258 4.578 4.320 -0.000 0.000 0.258 264 K C -0.301 176.484 176.600 0.307 0.000 0.973 264 K CA -0.787 55.611 56.287 0.185 0.000 0.898 264 K CB 0.336 32.928 32.500 0.153 0.000 1.057 264 K HN 0.038 nan 8.250 nan 0.000 0.447 265 F N 0.284 120.262 119.950 0.046 0.000 3.080 265 F HA -0.217 4.310 4.527 -0.000 0.000 0.292 265 F C 0.186 176.019 175.800 0.055 0.000 0.891 265 F CA 0.359 58.396 58.000 0.061 0.000 1.086 265 F CB -1.511 37.533 39.000 0.074 0.000 1.095 265 F HN 0.435 nan 8.300 nan 0.000 0.633 266 L N -0.683 120.609 121.223 0.115 0.000 3.141 266 L HA 0.143 4.483 4.340 -0.000 0.000 0.267 266 L C 0.341 177.222 176.870 0.017 0.000 1.281 266 L CA -0.141 54.739 54.840 0.067 0.000 1.037 266 L CB 0.328 42.428 42.059 0.070 0.000 1.407 266 L HN -0.163 nan 8.230 nan 0.000 0.566 267 K N 1.004 121.387 120.400 -0.028 0.000 2.268 267 K HA 0.656 4.976 4.320 -0.000 0.000 0.276 267 K C 0.473 177.045 176.600 -0.048 0.000 1.080 267 K CA -0.377 55.883 56.287 -0.046 0.000 0.910 267 K CB 1.408 33.860 32.500 -0.079 0.000 1.163 267 K HN 0.315 nan 8.250 nan 0.000 0.465 268 A N 2.231 125.035 122.820 -0.028 0.000 2.448 268 A HA 0.580 4.900 4.320 -0.000 0.000 0.239 268 A C 0.554 178.101 177.584 -0.062 0.000 1.080 268 A CA 0.206 52.224 52.037 -0.030 0.000 0.779 268 A CB 0.109 19.099 19.000 -0.018 0.000 1.026 268 A HN 1.051 nan 8.150 nan 0.000 0.499 269 S N -0.677 114.970 115.700 -0.087 0.000 2.636 269 S HA 0.332 4.802 4.470 -0.000 0.000 0.268 269 S C 0.364 174.828 174.600 -0.226 0.000 1.159 269 S CA 0.127 58.240 58.200 -0.145 0.000 0.815 269 S CB 0.766 63.898 63.200 -0.113 0.000 1.130 269 S HN 1.749 nan 8.310 nan 0.000 0.471 270 V N 0.582 120.281 119.914 -0.357 0.000 2.867 270 V HA 0.409 4.529 4.120 -0.000 0.000 0.260 270 V C 0.936 176.867 176.094 -0.271 0.000 1.099 270 V CA 2.293 64.306 62.300 -0.479 0.000 1.122 270 V CB -0.440 30.941 31.823 -0.737 0.000 0.708 270 V HN 1.899 nan 8.190 nan 0.000 0.490 271 G N -0.627 108.052 108.800 -0.201 0.000 2.318 271 G HA2 0.216 4.176 3.960 -0.000 0.000 0.302 271 G HA3 0.216 4.176 3.960 -0.000 0.000 0.302 271 G C -0.770 174.058 174.900 -0.119 0.000 1.633 271 G CA -0.459 44.510 45.100 -0.217 0.000 0.965 271 G HN 0.763 nan 8.290 nan 0.000 0.698 272 F N 0.941 120.901 119.950 0.017 0.000 2.529 272 F HA 0.733 5.260 4.527 -0.000 0.000 0.365 272 F C 0.741 176.585 175.800 0.074 0.000 1.102 272 F CA -0.305 57.749 58.000 0.091 0.000 1.271 272 F CB 0.780 39.924 39.000 0.241 0.000 1.120 272 F HN 0.736 nan 8.300 nan 0.000 0.579 273 G N 0.424 109.433 108.800 0.348 0.000 3.217 273 G HA2 0.706 4.666 3.960 -0.000 0.000 0.213 273 G HA3 0.706 4.666 3.960 -0.000 0.000 0.213 273 G C -0.316 174.588 174.900 0.006 0.000 1.294 273 G CA -0.750 44.471 45.100 0.202 0.000 0.987 273 G HN 1.670 nan 8.290 nan 0.000 0.584 274 G N -1.830 106.638 108.800 -0.553 0.000 2.675 274 G HA2 0.256 4.216 3.960 -0.000 0.000 0.686 274 G HA3 0.256 4.216 3.960 -0.000 0.000 0.686 274 G C 0.922 175.453 174.900 -0.616 0.000 1.215 274 G CA 0.602 44.885 45.100 -1.363 0.000 0.777 274 G HN 1.847 nan 8.290 nan 0.000 0.638 275 S N -1.430 113.911 115.700 -0.598 0.000 2.442 275 S HA -0.076 4.393 4.470 -0.000 0.000 0.236 275 S C 2.015 176.516 174.600 -0.164 0.000 1.007 275 S CA 2.325 60.347 58.200 -0.295 0.000 0.965 275 S CB -0.174 62.871 63.200 -0.259 0.000 0.773 275 S HN 1.196 nan 8.310 nan 0.000 0.504 276 C N -0.380 118.810 119.300 -0.184 0.000 2.563 276 C HA 0.460 4.920 4.460 -0.000 0.000 0.346 276 C C 2.183 177.236 174.990 0.106 0.000 1.334 276 C CA -0.513 58.473 59.018 -0.053 0.000 1.938 276 C CB -1.228 26.468 27.740 -0.074 0.000 2.445 276 C HN 0.461 nan 8.230 nan 0.000 0.541 277 F N 2.028 121.945 119.950 -0.056 0.000 2.069 277 F HA -0.175 4.352 4.527 0.000 0.000 0.298 277 F C 2.654 178.457 175.800 0.005 0.000 1.113 277 F CA 1.745 59.681 58.000 -0.108 0.000 1.214 277 F CB -1.401 37.374 39.000 -0.376 0.000 0.978 277 F HN 0.346 nan 8.300 nan 0.000 0.474 278 Q N 0.841 120.854 119.800 0.355 0.000 2.030 278 Q HA -0.258 4.082 4.340 -0.000 0.000 0.204 278 Q C 2.243 178.335 176.000 0.153 0.000 0.986 278 Q CA 2.452 58.426 55.803 0.284 0.000 0.843 278 Q CB -0.189 28.689 28.738 0.233 0.000 0.904 278 Q HN 0.544 nan 8.270 nan 0.000 0.420 279 K N -0.703 119.762 120.400 0.108 0.000 2.148 279 K HA -0.153 4.167 4.320 -0.000 0.000 0.204 279 K C 1.131 177.764 176.600 0.054 0.000 1.050 279 K CA 1.694 58.019 56.287 0.062 0.000 0.942 279 K CB -0.014 32.507 32.500 0.036 0.000 0.724 279 K HN 0.141 nan 8.250 nan 0.000 0.446 280 D N 1.128 121.567 120.400 0.065 0.000 2.162 280 D HA -0.068 4.571 4.640 -0.000 0.000 0.203 280 D C 2.117 178.424 176.300 0.011 0.000 0.967 280 D CA 0.856 54.880 54.000 0.040 0.000 0.840 280 D CB -0.113 40.721 40.800 0.057 0.000 0.972 280 D HN 0.057 nan 8.370 nan 0.000 0.482 281 V N 1.129 121.054 119.914 0.018 0.000 2.343 281 V HA -0.194 3.926 4.120 -0.000 0.000 0.247 281 V C 2.575 178.705 176.094 0.060 0.000 1.051 281 V CA 1.111 63.414 62.300 0.005 0.000 1.036 281 V CB -0.445 31.410 31.823 0.053 0.000 0.654 281 V HN 0.193 nan 8.190 nan 0.000 0.451 282 L N 0.371 121.642 121.223 0.080 0.000 2.083 282 L HA -0.167 4.172 4.340 -0.000 0.000 0.209 282 L C 2.564 179.493 176.870 0.097 0.000 1.083 282 L CA 1.625 56.518 54.840 0.090 0.000 0.752 282 L CB -0.770 41.330 42.059 0.068 0.000 0.899 282 L HN 0.418 nan 8.230 nan 0.000 0.433 283 N N 0.967 119.707 118.700 0.066 0.000 2.043 283 N HA -0.237 4.503 4.740 -0.000 0.000 0.193 283 N C 1.861 177.433 175.510 0.104 0.000 1.037 283 N CA 1.672 54.770 53.050 0.080 0.000 0.851 283 N CB -0.285 38.227 38.487 0.042 0.000 1.027 283 N HN 0.147 nan 8.380 nan 0.000 0.422 284 L N 0.705 121.952 121.223 0.040 0.000 2.042 284 L HA -0.089 4.251 4.340 -0.000 0.000 0.210 284 L C 2.376 179.289 176.870 0.070 0.000 1.076 284 L CA 1.255 56.098 54.840 0.005 0.000 0.749 284 L CB -0.775 41.201 42.059 -0.139 0.000 0.893 284 L HN 0.033 nan 8.230 nan 0.000 0.432 285 V N -1.188 118.795 119.914 0.115 0.000 2.332 285 V HA -0.351 3.769 4.120 -0.000 0.000 0.248 285 V C 2.264 178.447 176.094 0.148 0.000 1.055 285 V CA 2.142 64.536 62.300 0.157 0.000 1.038 285 V CB -0.955 30.969 31.823 0.168 0.000 0.651 285 V HN 0.592 nan 8.190 nan 0.000 0.450 286 Y N 0.377 120.700 120.300 0.039 0.000 2.181 286 Y HA -0.224 4.326 4.550 -0.000 0.000 0.288 286 Y C 2.234 178.148 175.900 0.023 0.000 1.146 286 Y CA 1.775 59.891 58.100 0.026 0.000 1.164 286 Y CB -0.283 38.185 38.460 0.012 0.000 0.982 286 Y HN 0.227 nan 8.280 nan 0.000 0.515 287 L N -0.161 121.096 121.223 0.058 0.000 2.012 287 L HA -0.256 4.084 4.340 -0.000 0.000 0.210 287 L C 2.388 179.224 176.870 -0.056 0.000 1.073 287 L CA 2.104 56.934 54.840 -0.017 0.000 0.748 287 L CB -1.406 40.680 42.059 0.044 0.000 0.891 287 L HN 0.402 nan 8.230 nan 0.000 0.431 288 C N 0.053 119.352 119.300 -0.002 0.000 2.398 288 C HA -0.197 4.263 4.460 -0.000 0.000 0.276 288 C C 2.577 177.546 174.990 -0.034 0.000 1.222 288 C CA 1.311 60.337 59.018 0.013 0.000 1.746 288 C CB -1.156 26.632 27.740 0.080 0.000 2.039 288 C HN 0.637 nan 8.230 nan 0.000 0.470 289 E N 0.837 120.992 120.200 -0.074 0.000 2.077 289 E HA -0.162 4.188 4.350 -0.000 0.000 0.193 289 E C 2.347 178.853 176.600 -0.157 0.000 0.989 289 E CA 1.369 57.705 56.400 -0.108 0.000 0.800 289 E CB -0.306 29.317 29.700 -0.128 0.000 0.746 289 E HN 0.674 nan 8.360 nan 0.000 0.452 290 A N 0.907 123.577 122.820 -0.250 0.000 1.978 290 A HA -0.133 4.187 4.320 -0.000 0.000 0.220 290 A C 1.958 179.474 177.584 -0.113 0.000 1.170 290 A CA 1.049 52.957 52.037 -0.215 0.000 0.636 290 A CB -0.399 18.442 19.000 -0.266 0.000 0.810 290 A HN 0.165 nan 8.150 nan 0.000 0.448 291 L N -0.819 120.354 121.223 -0.083 0.000 2.629 291 L HA 0.098 4.438 4.340 -0.000 0.000 0.230 291 L C 0.599 177.448 176.870 -0.036 0.000 1.151 291 L CA -0.017 54.794 54.840 -0.049 0.000 0.924 291 L CB -0.455 41.587 42.059 -0.029 0.000 1.137 291 L HN 0.467 nan 8.230 nan 0.000 0.457 292 N N 1.372 120.048 118.700 -0.041 0.000 2.738 292 N HA -0.216 4.524 4.740 -0.000 0.000 0.249 292 N C -0.601 174.902 175.510 -0.013 0.000 1.047 292 N CA 0.668 53.702 53.050 -0.027 0.000 0.707 292 N CB -1.151 37.321 38.487 -0.024 0.000 0.937 292 N HN 0.344 nan 8.380 nan 0.000 0.545 293 L N 0.357 121.577 121.223 -0.005 0.000 2.679 293 L HA 0.331 4.671 4.340 -0.000 0.000 0.238 293 L C -1.267 175.619 176.870 0.026 0.000 1.330 293 L CA -1.401 53.447 54.840 0.013 0.000 0.935 293 L CB 1.130 43.206 42.059 0.029 0.000 1.243 293 L HN -0.001 nan 8.230 nan 0.000 0.484 294 P HA -0.114 nan 4.420 nan 0.000 0.221 294 P C 0.904 178.227 177.300 0.038 0.000 1.150 294 P CA 1.113 64.228 63.100 0.025 0.000 0.800 294 P CB 0.608 32.315 31.700 0.012 0.000 0.787 295 E N -0.046 120.171 120.200 0.029 0.000 2.072 295 E HA -0.095 4.255 4.350 -0.000 0.000 0.191 295 E C 2.143 178.775 176.600 0.054 0.000 0.985 295 E CA 0.944 57.360 56.400 0.027 0.000 0.801 295 E CB -1.147 28.554 29.700 0.001 0.000 0.750 295 E HN 0.022 nan 8.360 nan 0.000 0.452 296 V N 1.041 120.994 119.914 0.066 0.000 2.427 296 V HA -0.246 3.874 4.120 -0.000 0.000 0.248 296 V C 2.205 178.446 176.094 0.245 0.000 1.051 296 V CA 1.671 64.052 62.300 0.135 0.000 1.048 296 V CB -0.849 31.069 31.823 0.158 0.000 0.666 296 V HN 0.343 nan 8.190 nan 0.000 0.456 297 A N 1.631 124.557 122.820 0.176 0.000 1.865 297 A HA -0.271 4.049 4.320 -0.000 0.000 0.217 297 A C 2.383 180.067 177.584 0.167 0.000 1.191 297 A CA 2.295 54.441 52.037 0.181 0.000 0.623 297 A CB -0.575 18.489 19.000 0.106 0.000 0.826 297 A HN 0.690 nan 8.150 nan 0.000 0.444 298 R N -2.271 118.295 120.500 0.110 0.000 2.148 298 R HA -0.128 4.212 4.340 -0.000 0.000 0.227 298 R C 2.038 178.364 176.300 0.043 0.000 1.103 298 R CA 1.591 57.733 56.100 0.069 0.000 0.983 298 R CB -0.753 29.571 30.300 0.040 0.000 0.874 298 R HN 0.515 nan 8.270 nan 0.000 0.451 299 Y N 0.725 120.966 120.300 -0.099 0.000 2.097 299 Y HA -0.223 4.327 4.550 -0.000 0.000 0.282 299 Y C 1.455 177.174 175.900 -0.303 0.000 1.152 299 Y CA 1.884 59.822 58.100 -0.269 0.000 1.136 299 Y CB -0.327 37.882 38.460 -0.419 0.000 0.975 299 Y HN 0.060 nan 8.280 nan 0.000 0.498 300 W N -0.091 121.265 121.300 0.094 0.000 2.518 300 W HA -0.070 4.590 4.660 0.001 0.000 0.273 300 W C 2.494 178.995 176.519 -0.031 0.000 1.247 300 W CA 0.871 58.217 57.345 0.001 0.000 1.288 300 W CB -0.425 29.080 29.460 0.076 0.000 1.107 300 W HN 0.108 nan 8.180 nan 0.000 0.586 301 Q N 0.562 120.465 119.800 0.170 0.000 2.181 301 Q HA -0.234 4.106 4.340 -0.000 0.000 0.205 301 Q C 2.076 178.100 176.000 0.040 0.000 0.980 301 Q CA 1.574 57.440 55.803 0.105 0.000 0.862 301 Q CB -0.419 28.367 28.738 0.080 0.000 0.905 301 Q HN 0.151 nan 8.270 nan 0.000 0.429 302 Q N -0.683 119.088 119.800 -0.049 0.000 2.181 302 Q HA -0.102 4.237 4.340 -0.000 0.000 0.205 302 Q C 2.091 178.066 176.000 -0.043 0.000 0.980 302 Q CA 1.312 57.060 55.803 -0.092 0.000 0.862 302 Q CB -0.309 28.301 28.738 -0.213 0.000 0.905 302 Q HN 0.353 nan 8.270 nan 0.000 0.429 303 V N 1.055 120.969 119.914 0.000 0.000 2.332 303 V HA -0.254 3.866 4.120 -0.000 0.000 0.248 303 V C 2.225 178.433 176.094 0.190 0.000 1.055 303 V CA 1.321 63.687 62.300 0.110 0.000 1.038 303 V CB -0.465 31.469 31.823 0.186 0.000 0.651 303 V HN 0.255 nan 8.190 nan 0.000 0.450 304 I N 0.061 120.729 120.570 0.163 0.000 2.233 304 I HA -0.121 4.049 4.170 -0.000 0.000 0.243 304 I C 2.271 178.408 176.117 0.033 0.000 1.093 304 I CA 1.367 62.742 61.300 0.126 0.000 1.380 304 I CB -1.426 36.645 38.000 0.118 0.000 1.067 304 I HN 0.312 nan 8.210 nan 0.000 0.413 305 D N 0.436 120.855 120.400 0.031 0.000 2.123 305 D HA -0.222 4.417 4.640 -0.000 0.000 0.196 305 D C 2.102 178.421 176.300 0.032 0.000 0.992 305 D CA 1.139 55.149 54.000 0.016 0.000 0.833 305 D CB -0.259 40.539 40.800 -0.003 0.000 0.954 305 D HN 0.162 nan 8.370 nan 0.000 0.455 306 M N 0.855 120.475 119.600 0.032 0.000 2.159 306 M HA -0.127 4.353 4.480 -0.000 0.000 0.263 306 M C 1.517 177.848 176.300 0.052 0.000 1.063 306 M CA 1.376 56.726 55.300 0.083 0.000 1.110 306 M CB -0.571 32.065 32.600 0.059 0.000 1.374 306 M HN -0.138 nan 8.290 nan 0.000 0.411 307 N N 0.225 118.886 118.700 -0.066 0.000 2.120 307 N HA -0.158 4.582 4.740 -0.000 0.000 0.188 307 N C 1.152 176.526 175.510 -0.227 0.000 1.024 307 N CA 1.783 54.666 53.050 -0.278 0.000 0.852 307 N CB -0.195 37.864 38.487 -0.713 0.000 1.003 307 N HN 0.390 nan 8.380 nan 0.000 0.424 308 D N -0.983 119.336 120.400 -0.135 0.000 2.117 308 D HA -0.164 4.476 4.640 -0.000 0.000 0.198 308 D C 1.582 177.890 176.300 0.014 0.000 0.982 308 D CA 0.714 54.667 54.000 -0.079 0.000 0.828 308 D CB -0.524 40.258 40.800 -0.028 0.000 0.967 308 D HN 0.392 nan 8.370 nan 0.000 0.464 309 Y N 1.700 121.957 120.300 -0.070 0.000 2.128 309 Y HA -0.269 4.281 4.550 0.000 0.000 0.284 309 Y C 2.402 178.268 175.900 -0.057 0.000 1.154 309 Y CA 1.885 59.951 58.100 -0.056 0.000 1.149 309 Y CB -0.470 37.961 38.460 -0.048 0.000 0.976 309 Y HN -0.127 nan 8.280 nan 0.000 0.505 310 Q N 0.548 120.191 119.800 -0.262 0.000 2.096 310 Q HA -0.192 4.148 4.340 -0.000 0.000 0.204 310 Q C 2.291 178.149 176.000 -0.237 0.000 0.982 310 Q CA 2.192 57.792 55.803 -0.338 0.000 0.850 310 Q CB -0.196 28.426 28.738 -0.194 0.000 0.901 310 Q HN 0.510 nan 8.270 nan 0.000 0.422 311 R N -0.761 119.645 120.500 -0.155 0.000 2.066 311 R HA -0.040 4.300 4.340 -0.000 0.000 0.232 311 R C 2.491 178.761 176.300 -0.050 0.000 1.131 311 R CA 1.517 57.596 56.100 -0.035 0.000 0.955 311 R CB -0.271 30.040 30.300 0.018 0.000 0.851 311 R HN 0.166 nan 8.270 nan 0.000 0.432 312 R N 1.109 121.521 120.500 -0.147 0.000 2.081 312 R HA -0.132 4.208 4.340 -0.000 0.000 0.235 312 R C 2.403 178.498 176.300 -0.342 0.000 1.131 312 R CA 1.717 57.596 56.100 -0.367 0.000 0.960 312 R CB -0.044 30.143 30.300 -0.188 0.000 0.856 312 R HN 0.207 nan 8.270 nan 0.000 0.436 313 R N -0.844 119.473 120.500 -0.304 0.000 2.115 313 R HA -0.124 4.216 4.340 -0.000 0.000 0.226 313 R C 1.954 178.152 176.300 -0.171 0.000 1.100 313 R CA 1.316 57.251 56.100 -0.276 0.000 0.980 313 R CB -0.709 29.321 30.300 -0.450 0.000 0.875 313 R HN 0.202 nan 8.270 nan 0.000 0.445 314 F N 2.241 122.027 119.950 -0.273 0.000 2.102 314 F HA 0.013 4.540 4.527 -0.000 0.000 0.298 314 F C 2.457 178.105 175.800 -0.253 0.000 1.105 314 F CA 1.360 59.236 58.000 -0.207 0.000 1.239 314 F CB -0.497 38.414 39.000 -0.148 0.000 0.991 314 F HN 0.144 nan 8.300 nan 0.000 0.474 315 A N -0.622 122.052 122.820 -0.244 0.000 1.908 315 A HA -0.179 4.141 4.320 -0.000 0.000 0.218 315 A C 2.369 179.703 177.584 -0.417 0.000 1.181 315 A CA 2.130 53.946 52.037 -0.369 0.000 0.627 315 A CB -1.271 17.512 19.000 -0.362 0.000 0.818 315 A HN 0.423 nan 8.150 nan 0.000 0.445 316 S N -0.934 114.549 115.700 -0.362 0.000 2.383 316 S HA -0.134 4.336 4.470 -0.000 0.000 0.227 316 S C 2.075 176.500 174.600 -0.291 0.000 1.026 316 S CA 1.074 59.102 58.200 -0.287 0.000 0.981 316 S CB -0.344 62.728 63.200 -0.214 0.000 0.818 316 S HN 0.638 nan 8.310 nan 0.000 0.472 317 R N 1.175 121.485 120.500 -0.317 0.000 2.073 317 R HA -0.073 4.267 4.340 -0.000 0.000 0.234 317 R C 2.103 178.113 176.300 -0.484 0.000 1.134 317 R CA 1.432 57.358 56.100 -0.291 0.000 0.952 317 R CB -0.512 29.660 30.300 -0.214 0.000 0.850 317 R HN 0.395 nan 8.270 nan 0.000 0.433 318 I N 0.679 120.730 120.570 -0.865 0.000 2.163 318 I HA -0.321 3.849 4.170 -0.000 0.000 0.243 318 I C 2.341 178.030 176.117 -0.713 0.000 1.085 318 I CA 1.435 61.976 61.300 -1.265 0.000 1.347 318 I CB -0.253 37.008 38.000 -1.233 0.000 1.044 318 I HN 0.185 nan 8.210 nan 0.000 0.408 319 I N 0.434 120.711 120.570 -0.487 0.000 2.252 319 I HA -0.268 3.902 4.170 -0.000 0.000 0.245 319 I C 2.098 178.046 176.117 -0.281 0.000 1.102 319 I CA 1.296 62.394 61.300 -0.336 0.000 1.385 319 I CB -0.505 37.350 38.000 -0.241 0.000 1.064 319 I HN 0.203 nan 8.210 nan 0.000 0.414 320 D N 0.625 120.880 120.400 -0.242 0.000 2.097 320 D HA -0.143 4.497 4.640 -0.000 0.000 0.195 320 D C 2.409 178.597 176.300 -0.187 0.000 0.989 320 D CA 1.453 55.358 54.000 -0.159 0.000 0.827 320 D CB -0.301 40.434 40.800 -0.109 0.000 0.966 320 D HN 0.153 nan 8.370 nan 0.000 0.456 321 S N 0.209 115.764 115.700 -0.241 0.000 2.383 321 S HA -0.114 4.356 4.470 -0.000 0.000 0.229 321 S C 1.281 175.441 174.600 -0.733 0.000 1.030 321 S CA 0.448 58.476 58.200 -0.287 0.000 1.002 321 S CB -0.089 63.066 63.200 -0.075 0.000 0.829 321 S HN 0.123 nan 8.310 nan 0.000 0.467 322 L N 1.834 122.595 121.223 -0.771 0.000 2.922 322 L HA 0.338 4.678 4.340 -0.000 0.000 0.244 322 L C -0.325 176.232 176.870 -0.521 0.000 1.324 322 L CA 0.278 54.592 54.840 -0.877 0.000 1.172 322 L CB -1.778 39.918 42.059 -0.606 0.000 1.545 322 L HN 0.228 nan 8.230 nan 0.000 0.438 323 F N -0.865 119.034 119.950 -0.085 0.000 3.084 323 F HA -0.406 4.121 4.527 -0.000 0.000 0.286 323 F C 1.151 176.915 175.800 -0.060 0.000 0.855 323 F CA 0.371 58.350 58.000 -0.035 0.000 1.091 323 F CB -2.000 37.000 39.000 -0.000 0.000 1.177 323 F HN 0.572 nan 8.300 nan 0.000 0.542 324 N N -1.364 117.335 118.700 -0.001 0.000 2.828 324 N HA -0.196 4.543 4.740 -0.000 0.000 0.248 324 N C 0.057 175.542 175.510 -0.040 0.000 1.044 324 N CA 1.473 54.505 53.050 -0.030 0.000 0.851 324 N CB -1.033 37.460 38.487 0.009 0.000 1.136 324 N HN 0.620 nan 8.380 nan 0.000 0.572 325 T N -1.176 113.346 114.554 -0.053 0.000 3.105 325 T HA 0.492 4.842 4.350 -0.000 0.000 0.321 325 T C 0.466 175.092 174.700 -0.124 0.000 1.135 325 T CA -0.094 61.965 62.100 -0.069 0.000 1.053 325 T CB 1.637 70.486 68.868 -0.031 0.000 1.133 325 T HN 0.110 nan 8.240 nan 0.000 0.463 326 V N 1.409 121.238 119.914 -0.141 0.000 3.432 326 V HA 0.413 4.533 4.120 -0.000 0.000 0.298 326 V C 0.841 176.833 176.094 -0.170 0.000 1.464 326 V CA -0.111 62.080 62.300 -0.181 0.000 1.046 326 V CB -0.363 31.352 31.823 -0.181 0.000 0.887 326 V HN 0.842 nan 8.190 nan 0.000 0.441 327 T N 3.125 117.598 114.554 -0.134 0.000 2.849 327 T HA 0.071 4.421 4.350 -0.000 0.000 0.289 327 T C 0.591 175.175 174.700 -0.193 0.000 1.010 327 T CA 1.509 63.526 62.100 -0.138 0.000 1.161 327 T CB -0.179 68.638 68.868 -0.085 0.000 0.989 327 T HN 0.713 nan 8.240 nan 0.000 0.523 328 D N 0.641 120.842 120.400 -0.332 0.000 3.059 328 D HA -0.144 4.495 4.640 -0.000 0.000 0.213 328 D C 0.099 176.211 176.300 -0.313 0.000 1.144 328 D CA 1.194 54.907 54.000 -0.479 0.000 0.975 328 D CB -0.562 40.134 40.800 -0.173 0.000 1.125 328 D HN 0.604 nan 8.370 nan 0.000 0.412 329 K N 1.004 121.255 120.400 -0.249 0.000 2.258 329 K HA 0.235 4.555 4.320 -0.000 0.000 0.284 329 K C 0.588 177.230 176.600 0.069 0.000 1.051 329 K CA -0.448 55.758 56.287 -0.134 0.000 0.923 329 K CB 1.700 33.952 32.500 -0.412 0.000 1.046 329 K HN -0.002 nan 8.250 nan 0.000 0.474 330 K N 4.332 124.901 120.400 0.282 0.000 2.416 330 K HA 0.140 4.460 4.320 -0.000 0.000 0.283 330 K C -0.784 175.953 176.600 0.229 0.000 1.037 330 K CA 0.103 56.546 56.287 0.259 0.000 0.995 330 K CB 0.323 32.915 32.500 0.152 0.000 0.938 330 K HN 0.489 nan 8.250 nan 0.000 0.475 331 I N 3.446 124.135 120.570 0.197 0.000 2.533 331 I HA 0.288 4.458 4.170 -0.000 0.000 0.290 331 I C -0.559 175.661 176.117 0.171 0.000 1.056 331 I CA -1.006 60.391 61.300 0.161 0.000 1.057 331 I CB 2.099 40.158 38.000 0.099 0.000 1.240 331 I HN 0.667 nan 8.210 nan 0.000 0.423 332 A N 7.452 130.359 122.820 0.144 0.000 2.289 332 A HA 0.673 4.993 4.320 -0.000 0.000 0.298 332 A C -0.473 177.186 177.584 0.124 0.000 1.208 332 A CA -0.334 51.782 52.037 0.132 0.000 0.845 332 A CB 0.231 19.276 19.000 0.076 0.000 1.125 332 A HN 0.507 nan 8.150 nan 0.000 0.517 333 I N 4.196 124.853 120.570 0.145 0.000 2.330 333 I HA 0.209 4.379 4.170 -0.000 0.000 0.286 333 I C -0.380 175.815 176.117 0.130 0.000 1.025 333 I CA -0.201 61.192 61.300 0.155 0.000 1.197 333 I CB 0.719 38.851 38.000 0.221 0.000 1.358 333 I HN 0.507 nan 8.210 nan 0.000 0.467 334 L N 6.130 127.354 121.223 0.002 0.000 2.270 334 L HA 0.653 4.992 4.340 -0.000 0.000 0.286 334 L C 0.498 177.348 176.870 -0.034 0.000 1.059 334 L CA -0.407 54.310 54.840 -0.205 0.000 0.839 334 L CB 0.955 42.516 42.059 -0.830 0.000 1.221 334 L HN 0.859 nan 8.230 nan 0.000 0.431 335 G N 2.106 111.116 108.800 0.350 0.000 3.444 335 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.685 335 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.685 335 G C -0.788 174.373 174.900 0.436 0.000 1.145 335 G CA -0.703 44.742 45.100 0.575 0.000 0.973 335 G HN 0.487 nan 8.290 nan 0.000 0.525 336 F N 2.127 122.237 119.950 0.268 0.000 2.740 336 F HA 0.638 5.165 4.527 -0.000 0.000 0.304 336 F C 1.786 177.711 175.800 0.208 0.000 1.098 336 F CA 1.131 59.241 58.000 0.184 0.000 1.258 336 F CB 0.432 39.497 39.000 0.109 0.000 1.061 336 F HN 0.951 nan 8.300 nan 0.000 0.598 337 A N 0.587 123.632 122.820 0.374 0.000 2.425 337 A HA 0.171 4.490 4.320 -0.000 0.000 0.242 337 A C 0.861 178.514 177.584 0.115 0.000 1.077 337 A CA 0.046 52.246 52.037 0.273 0.000 0.781 337 A CB -0.515 18.691 19.000 0.344 0.000 1.020 337 A HN 0.544 nan 8.150 nan 0.000 0.494 338 F N 0.187 120.124 119.950 -0.021 0.000 2.502 338 F HA 0.203 4.730 4.527 -0.000 0.000 0.298 338 F C 0.642 176.381 175.800 -0.102 0.000 1.111 338 F CA 0.732 58.691 58.000 -0.068 0.000 1.445 338 F CB -0.191 38.769 39.000 -0.068 0.000 1.081 338 F HN 0.608 nan 8.300 nan 0.000 0.558 339 K N 0.376 120.331 120.400 -0.740 0.000 2.617 339 K HA 0.329 4.649 4.320 -0.000 0.000 0.293 339 K C -1.394 174.719 176.600 -0.811 0.000 1.034 339 K CA -1.223 54.633 56.287 -0.717 0.000 0.884 339 K CB 1.182 33.173 32.500 -0.848 0.000 1.541 339 K HN 0.143 nan 8.250 nan 0.000 0.409 340 K N 0.182 120.066 120.400 -0.859 0.000 2.138 340 K HA 0.212 4.532 4.320 -0.000 0.000 0.251 340 K C -0.773 175.342 176.600 -0.808 0.000 1.015 340 K CA 0.122 55.621 56.287 -1.313 0.000 0.917 340 K CB 0.284 32.177 32.500 -1.012 0.000 1.021 340 K HN 0.654 nan 8.250 nan 0.000 0.485 341 D N -0.855 119.111 120.400 -0.723 0.000 3.041 341 D HA -0.150 4.490 4.640 -0.000 0.000 0.220 341 D C -0.841 175.557 176.300 0.164 0.000 1.157 341 D CA 1.726 55.740 54.000 0.023 0.000 0.876 341 D CB -1.342 39.443 40.800 -0.025 0.000 1.107 341 D HN 0.751 nan 8.370 nan 0.000 0.422 342 T N -2.413 112.249 114.554 0.179 0.000 2.883 342 T HA 0.599 4.949 4.350 -0.000 0.000 0.301 342 T C 0.968 175.948 174.700 0.466 0.000 1.158 342 T CA 0.074 62.365 62.100 0.318 0.000 1.007 342 T CB 1.782 70.701 68.868 0.085 0.000 1.186 342 T HN -0.059 nan 8.240 nan 0.000 0.499 343 G N 1.144 110.217 108.800 0.456 0.000 3.088 343 G HA2 0.172 4.132 3.960 -0.000 0.000 0.217 343 G HA3 0.172 4.132 3.960 -0.000 0.000 0.217 343 G C 0.198 175.294 174.900 0.326 0.000 1.159 343 G CA -0.129 45.181 45.100 0.350 0.000 0.760 343 G HN 0.657 nan 8.290 nan 0.000 0.550 344 D N 0.927 121.533 120.400 0.343 0.000 2.348 344 D HA 0.224 4.864 4.640 -0.000 0.000 0.253 344 D C 1.572 178.070 176.300 0.331 0.000 1.161 344 D CA 0.242 54.404 54.000 0.270 0.000 0.876 344 D CB 1.448 42.294 40.800 0.078 0.000 1.160 344 D HN 0.090 nan 8.370 nan 0.000 0.459 345 T N 0.525 115.213 114.554 0.224 0.000 3.054 345 T HA 0.185 4.534 4.350 -0.000 0.000 0.255 345 T C 0.845 175.584 174.700 0.065 0.000 1.035 345 T CA -0.439 61.781 62.100 0.199 0.000 0.941 345 T CB 0.017 69.043 68.868 0.263 0.000 1.026 345 T HN 0.233 nan 8.240 nan 0.000 0.533 346 R N 2.632 123.106 120.500 -0.045 0.000 2.473 346 R HA 0.058 4.398 4.340 -0.000 0.000 0.315 346 R C 0.123 176.325 176.300 -0.163 0.000 0.972 346 R CA 0.167 56.188 56.100 -0.131 0.000 1.047 346 R CB -0.042 30.128 30.300 -0.217 0.000 0.932 346 R HN 0.310 nan 8.270 nan 0.000 0.411 347 E N -0.389 119.796 120.200 -0.025 0.000 2.883 347 E HA -0.233 4.117 4.350 -0.000 0.000 0.271 347 E C -0.236 176.431 176.600 0.112 0.000 1.049 347 E CA 1.124 57.581 56.400 0.095 0.000 0.817 347 E CB -1.398 28.326 29.700 0.041 0.000 1.407 347 E HN 0.631 nan 8.360 nan 0.000 0.434 348 S N -0.316 115.419 115.700 0.059 0.000 2.552 348 S HA 0.125 4.595 4.470 -0.000 0.000 0.289 348 S C 1.505 176.149 174.600 0.073 0.000 1.304 348 S CA 0.503 58.738 58.200 0.058 0.000 1.063 348 S CB 0.938 64.094 63.200 -0.074 0.000 0.848 348 S HN 0.216 nan 8.310 nan 0.000 0.499 349 S N 3.768 119.500 115.700 0.054 0.000 2.419 349 S HA -0.091 4.379 4.470 -0.000 0.000 0.233 349 S C 2.107 176.735 174.600 0.046 0.000 1.016 349 S CA 1.381 59.619 58.200 0.064 0.000 0.974 349 S CB -0.338 62.846 63.200 -0.026 0.000 0.786 349 S HN 0.792 nan 8.310 nan 0.000 0.492 350 S N 1.819 117.456 115.700 -0.104 0.000 2.383 350 S HA -0.063 4.407 4.470 -0.000 0.000 0.229 350 S C 1.728 176.147 174.600 -0.301 0.000 1.030 350 S CA 1.094 59.162 58.200 -0.220 0.000 1.002 350 S CB -0.416 62.510 63.200 -0.456 0.000 0.829 350 S HN 0.478 nan 8.310 nan 0.000 0.467 351 I N -0.047 120.261 120.570 -0.436 0.000 2.179 351 I HA -0.207 3.963 4.170 -0.000 0.000 0.242 351 I C 2.080 178.083 176.117 -0.190 0.000 1.088 351 I CA 1.450 62.581 61.300 -0.282 0.000 1.357 351 I CB -0.427 37.386 38.000 -0.312 0.000 1.051 351 I HN 0.247 nan 8.210 nan 0.000 0.409 352 Y N 0.267 120.510 120.300 -0.095 0.000 2.200 352 Y HA -0.189 4.361 4.550 -0.000 0.000 0.290 352 Y C 2.458 178.354 175.900 -0.007 0.000 1.137 352 Y CA 1.028 59.063 58.100 -0.108 0.000 1.163 352 Y CB -0.229 38.192 38.460 -0.064 0.000 0.988 352 Y HN 0.053 nan 8.280 nan 0.000 0.518 353 I N -0.946 119.781 120.570 0.261 0.000 2.202 353 I HA -0.256 3.914 4.170 -0.000 0.000 0.242 353 I C 2.323 178.555 176.117 0.193 0.000 1.091 353 I CA 1.239 62.718 61.300 0.298 0.000 1.368 353 I CB -1.479 36.687 38.000 0.276 0.000 1.058 353 I HN 0.107 nan 8.210 nan 0.000 0.410 354 S N 0.936 116.722 115.700 0.143 0.000 2.365 354 S HA -0.216 4.254 4.470 -0.000 0.000 0.225 354 S C 1.970 176.612 174.600 0.072 0.000 1.039 354 S CA 1.469 59.750 58.200 0.135 0.000 1.033 354 S CB -0.202 63.133 63.200 0.225 0.000 0.887 354 S HN 0.424 nan 8.310 nan 0.000 0.447 355 K N -0.088 120.307 120.400 -0.008 0.000 2.057 355 K HA -0.101 4.219 4.320 -0.000 0.000 0.207 355 K C 1.951 178.521 176.600 -0.050 0.000 1.049 355 K CA 1.493 57.729 56.287 -0.085 0.000 0.931 355 K CB -0.371 31.995 32.500 -0.224 0.000 0.714 355 K HN 0.445 nan 8.250 nan 0.000 0.440 356 Y N 1.157 121.467 120.300 0.017 0.000 2.165 356 Y HA -0.227 4.323 4.550 0.000 0.000 0.286 356 Y C 2.145 178.027 175.900 -0.028 0.000 1.155 356 Y CA 0.829 58.928 58.100 -0.001 0.000 1.164 356 Y CB -0.104 38.354 38.460 -0.002 0.000 0.978 356 Y HN -0.001 nan 8.280 nan 0.000 0.513 357 L N -1.064 120.238 121.223 0.131 0.000 2.179 357 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 357 L C 2.122 179.009 176.870 0.029 0.000 1.096 357 L CA 0.919 55.783 54.840 0.040 0.000 0.779 357 L CB -0.386 41.683 42.059 0.016 0.000 0.922 357 L HN 0.344 nan 8.230 nan 0.000 0.443 358 M N -0.579 119.045 119.600 0.040 0.000 2.254 358 M HA -0.144 4.336 4.480 -0.000 0.000 0.265 358 M C 1.484 177.796 176.300 0.021 0.000 1.066 358 M CA 1.209 56.527 55.300 0.030 0.000 1.123 358 M CB -0.321 32.294 32.600 0.026 0.000 1.388 358 M HN 0.106 nan 8.290 nan 0.000 0.425 359 D N 0.590 121.005 120.400 0.025 0.000 2.218 359 D HA -0.130 4.510 4.640 -0.000 0.000 0.204 359 D C 1.750 178.060 176.300 0.018 0.000 0.976 359 D CA 1.043 55.059 54.000 0.026 0.000 0.853 359 D CB -0.157 40.673 40.800 0.050 0.000 0.939 359 D HN 0.356 nan 8.370 nan 0.000 0.481 360 E N -0.504 119.701 120.200 0.008 0.000 2.478 360 E HA 0.127 4.477 4.350 -0.000 0.000 0.194 360 E C 1.367 177.944 176.600 -0.037 0.000 1.045 360 E CA 0.531 56.919 56.400 -0.019 0.000 0.868 360 E CB 0.477 30.152 29.700 -0.042 0.000 0.885 360 E HN 0.295 nan 8.360 nan 0.000 0.505 361 G N 1.368 110.153 108.800 -0.026 0.000 2.132 361 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.234 361 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.234 361 G C 0.464 175.301 174.900 -0.104 0.000 0.989 361 G CA 0.148 45.224 45.100 -0.039 0.000 0.676 361 G HN 0.492 nan 8.290 nan 0.000 0.522 362 A N -0.089 122.687 122.820 -0.073 0.000 2.445 362 A HA 0.596 4.916 4.320 -0.000 0.000 0.242 362 A C 0.241 177.843 177.584 0.031 0.000 1.075 362 A CA 0.083 52.068 52.037 -0.087 0.000 0.777 362 A CB 0.165 19.143 19.000 -0.037 0.000 1.013 362 A HN 0.642 nan 8.150 nan 0.000 0.493 363 H N 1.643 120.757 119.070 0.073 0.000 2.787 363 H HA 0.348 4.904 4.556 0.000 0.000 0.275 363 H C -0.625 174.809 175.328 0.176 0.000 1.183 363 H CA -0.548 55.566 56.048 0.110 0.000 1.290 363 H CB 0.339 30.192 29.762 0.151 0.000 1.438 363 H HN 0.473 nan 8.280 nan 0.000 0.487 364 L N 4.164 125.519 121.223 0.220 0.000 2.349 364 L HA 0.234 4.573 4.340 -0.000 0.000 0.275 364 L C 0.351 177.292 176.870 0.119 0.000 1.115 364 L CA -0.255 54.696 54.840 0.184 0.000 0.820 364 L CB 0.641 42.768 42.059 0.113 0.000 1.135 364 L HN 0.638 nan 8.230 nan 0.000 0.445 365 H N 4.823 123.942 119.070 0.081 0.000 2.638 365 H HA 0.467 5.022 4.556 -0.000 0.000 0.317 365 H C -0.591 174.782 175.328 0.076 0.000 1.006 365 H CA -0.519 55.567 56.048 0.063 0.000 1.222 365 H CB 1.986 31.786 29.762 0.063 0.000 1.419 365 H HN 0.432 nan 8.280 nan 0.000 0.489 366 I N 3.953 124.586 120.570 0.106 0.000 2.377 366 I HA 0.161 4.331 4.170 -0.000 0.000 0.293 366 I C -0.848 175.348 176.117 0.133 0.000 0.987 366 I CA -0.792 60.568 61.300 0.100 0.000 1.185 366 I CB 1.328 39.308 38.000 -0.033 0.000 1.341 366 I HN 0.473 nan 8.210 nan 0.000 0.455 367 Y N 6.162 126.496 120.300 0.057 0.000 2.442 367 Y HA 0.511 5.061 4.550 -0.000 0.000 0.344 367 Y C -1.402 174.566 175.900 0.113 0.000 0.976 367 Y CA -0.686 57.442 58.100 0.048 0.000 1.040 367 Y CB 1.597 40.078 38.460 0.035 0.000 1.228 367 Y HN 0.540 nan 8.280 nan 0.000 0.451 368 D N 7.467 127.295 120.400 -0.954 0.000 2.990 368 D HA 0.253 4.893 4.640 -0.000 0.000 0.227 368 D C -2.416 173.222 176.300 -1.104 0.000 1.249 368 D CA -1.807 51.740 54.000 -0.756 0.000 0.891 368 D CB 3.253 43.968 40.800 -0.141 0.000 1.647 368 D HN 0.384 nan 8.370 nan 0.000 0.530 369 P HA 0.008 nan 4.420 nan 0.000 0.226 369 P C 0.687 177.589 177.300 -0.662 0.000 1.153 369 P CA 0.720 63.308 63.100 -0.853 0.000 0.777 369 P CB 0.839 31.970 31.700 -0.948 0.000 0.794 370 K N -1.337 118.697 120.400 -0.609 0.000 2.504 370 K HA 0.164 4.484 4.320 -0.000 0.000 0.203 370 K C 0.220 176.737 176.600 -0.138 0.000 1.350 370 K CA 0.198 56.272 56.287 -0.355 0.000 0.953 370 K CB 0.266 32.606 32.500 -0.267 0.000 1.243 370 K HN -0.185 nan 8.250 nan 0.000 0.534 371 V N 4.559 124.435 119.914 -0.063 0.000 2.529 371 V HA 0.123 4.243 4.120 -0.000 0.000 0.292 371 V C -2.232 173.829 176.094 -0.054 0.000 1.028 371 V CA -1.286 61.030 62.300 0.027 0.000 1.074 371 V CB 0.385 32.290 31.823 0.137 0.000 0.958 371 V HN 0.144 nan 8.190 nan 0.000 0.481 372 P HA 0.138 nan 4.420 nan 0.000 0.268 372 P C 0.745 177.999 177.300 -0.077 0.000 1.204 372 P CA -0.357 62.709 63.100 -0.057 0.000 0.768 372 P CB 0.423 32.102 31.700 -0.034 0.000 0.842 373 R N 2.131 122.576 120.500 -0.093 0.000 2.127 373 R HA -0.194 4.146 4.340 -0.000 0.000 0.238 373 R C 1.009 177.246 176.300 -0.104 0.000 1.134 373 R CA 1.576 57.608 56.100 -0.114 0.000 0.975 373 R CB -0.695 29.548 30.300 -0.095 0.000 0.865 373 R HN 0.287 nan 8.270 nan 0.000 0.447 374 E N 0.890 121.047 120.200 -0.071 0.000 2.110 374 E HA -0.210 4.140 4.350 -0.000 0.000 0.193 374 E C 1.969 178.540 176.600 -0.048 0.000 0.988 374 E CA 1.394 57.761 56.400 -0.056 0.000 0.804 374 E CB -0.112 29.565 29.700 -0.039 0.000 0.745 374 E HN 0.360 nan 8.360 nan 0.000 0.458 375 Q N 0.425 120.204 119.800 -0.035 0.000 2.119 375 Q HA -0.040 4.300 4.340 -0.000 0.000 0.201 375 Q C 1.858 177.845 176.000 -0.023 0.000 0.972 375 Q CA 1.208 57.012 55.803 0.002 0.000 0.847 375 Q CB -0.130 28.638 28.738 0.050 0.000 0.903 375 Q HN 0.356 nan 8.270 nan 0.000 0.433 376 I N -0.745 119.737 120.570 -0.148 0.000 2.226 376 I HA -0.273 3.897 4.170 -0.000 0.000 0.245 376 I C 1.988 177.965 176.117 -0.233 0.000 1.100 376 I CA 0.934 61.995 61.300 -0.398 0.000 1.374 376 I CB -0.350 37.262 38.000 -0.647 0.000 1.057 376 I HN 0.057 nan 8.210 nan 0.000 0.413 377 V N 0.368 120.189 119.914 -0.155 0.000 2.295 377 V HA -0.238 3.882 4.120 -0.000 0.000 0.246 377 V C 2.439 178.503 176.094 -0.051 0.000 1.049 377 V CA 1.576 63.817 62.300 -0.098 0.000 1.024 377 V CB -0.467 31.307 31.823 -0.081 0.000 0.648 377 V HN 0.241 nan 8.190 nan 0.000 0.447 378 V N 0.155 120.051 119.914 -0.030 0.000 2.343 378 V HA -0.245 3.875 4.120 -0.000 0.000 0.247 378 V C 2.290 178.391 176.094 0.012 0.000 1.051 378 V CA 2.170 64.467 62.300 -0.005 0.000 1.036 378 V CB -0.695 31.132 31.823 0.007 0.000 0.654 378 V HN 0.554 nan 8.190 nan 0.000 0.451 379 D N 0.041 120.468 120.400 0.045 0.000 2.178 379 D HA -0.101 4.539 4.640 -0.000 0.000 0.201 379 D C 1.862 178.197 176.300 0.058 0.000 0.980 379 D CA 1.240 55.294 54.000 0.091 0.000 0.842 379 D CB -0.050 40.910 40.800 0.266 0.000 0.948 379 D HN 0.372 nan 8.370 nan 0.000 0.472 380 L N -0.109 121.139 121.223 0.042 0.000 2.585 380 L HA 0.105 4.445 4.340 -0.000 0.000 0.226 380 L C 0.859 177.720 176.870 -0.015 0.000 1.113 380 L CA -0.012 54.838 54.840 0.018 0.000 0.876 380 L CB 0.310 42.380 42.059 0.017 0.000 1.072 380 L HN -0.232 nan 8.230 nan 0.000 0.468 381 S N -1.395 114.294 115.700 -0.017 0.000 2.652 381 S HA 0.440 4.910 4.470 -0.000 0.000 0.270 381 S C 0.491 175.078 174.600 -0.020 0.000 1.243 381 S CA -0.327 57.861 58.200 -0.020 0.000 0.999 381 S CB 0.608 63.797 63.200 -0.018 0.000 0.973 381 S HN 0.436 nan 8.310 nan 0.000 0.544 390 Q N -0.452 119.346 119.800 -0.004 0.000 2.045 390 Q HA -0.124 4.216 4.340 -0.000 0.000 0.206 390 Q C 2.105 178.103 176.000 -0.003 0.000 0.991 390 Q CA 2.689 58.494 55.803 0.003 0.000 0.851 390 Q CB -0.153 28.586 28.738 0.002 0.000 0.911 390 Q HN 0.413 nan 8.270 nan 0.000 0.418 391 V N 0.422 120.327 119.914 -0.016 0.000 2.343 391 V HA -0.269 3.851 4.120 -0.000 0.000 0.247 391 V C 2.232 178.301 176.094 -0.043 0.000 1.051 391 V CA 1.984 64.266 62.300 -0.030 0.000 1.036 391 V CB -0.643 31.158 31.823 -0.037 0.000 0.654 391 V HN 0.306 nan 8.190 nan 0.000 0.451 392 S N -0.152 115.526 115.700 -0.038 0.000 2.370 392 S HA -0.207 4.263 4.470 -0.000 0.000 0.226 392 S C 2.086 176.655 174.600 -0.053 0.000 1.033 392 S CA 1.607 59.779 58.200 -0.045 0.000 1.011 392 S CB -0.320 62.860 63.200 -0.034 0.000 0.852 392 S HN 0.573 nan 8.310 nan 0.000 0.457 393 R N 0.451 120.931 120.500 -0.033 0.000 2.075 393 R HA 0.169 4.509 4.340 -0.000 0.000 0.226 393 R C 1.935 178.210 176.300 -0.043 0.000 1.114 393 R CA 0.940 57.022 56.100 -0.031 0.000 0.972 393 R CB -0.244 30.065 30.300 0.015 0.000 0.869 393 R HN 0.358 nan 8.270 nan 0.000 0.437 394 L N -0.067 121.160 121.223 0.007 0.000 2.515 394 L HA 0.198 4.538 4.340 -0.000 0.000 0.223 394 L C 0.118 176.991 176.870 0.005 0.000 1.079 394 L CA -0.029 54.860 54.840 0.082 0.000 0.857 394 L CB 0.706 42.832 42.059 0.112 0.000 1.050 394 L HN -0.128 nan 8.230 nan 0.000 0.476 395 V N 0.261 120.137 119.914 -0.063 0.000 2.398 395 V HA 0.368 4.488 4.120 -0.000 0.000 0.286 395 V C -0.203 175.772 176.094 -0.198 0.000 1.026 395 V CA -0.267 61.968 62.300 -0.108 0.000 0.868 395 V CB 1.554 33.326 31.823 -0.085 0.000 0.982 395 V HN 0.080 nan 8.190 nan 0.000 0.443 396 T N 5.959 120.320 114.554 -0.323 0.000 2.841 396 T HA 0.664 5.014 4.350 -0.000 0.000 0.283 396 T C -0.375 174.184 174.700 -0.234 0.000 1.000 396 T CA -0.268 61.611 62.100 -0.368 0.000 0.977 396 T CB 1.516 69.928 68.868 -0.760 0.000 0.979 396 T HN 0.375 nan 8.240 nan 0.000 0.446 397 I N 2.475 122.959 120.570 -0.142 0.000 2.312 397 I HA 0.299 4.468 4.170 -0.000 0.000 0.290 397 I C 0.408 176.522 176.117 -0.005 0.000 1.008 397 I CA -0.391 60.858 61.300 -0.085 0.000 1.226 397 I CB 1.283 39.214 38.000 -0.116 0.000 1.371 397 I HN 0.512 nan 8.210 nan 0.000 0.468 398 S N 4.291 120.038 115.700 0.078 0.000 2.562 398 S HA 0.286 4.756 4.470 -0.000 0.000 0.275 398 S C 1.268 175.980 174.600 0.186 0.000 1.281 398 S CA -0.585 57.703 58.200 0.146 0.000 1.045 398 S CB 1.649 64.967 63.200 0.196 0.000 0.962 398 S HN 0.745 nan 8.310 nan 0.000 0.503 399 K N 1.440 121.917 120.400 0.128 0.000 2.217 399 K HA -0.005 4.315 4.320 -0.000 0.000 0.202 399 K C 0.462 177.155 176.600 0.156 0.000 1.051 399 K CA 1.547 57.909 56.287 0.125 0.000 0.952 399 K CB -0.617 31.920 32.500 0.061 0.000 0.736 399 K HN 0.905 nan 8.250 nan 0.000 0.453 400 D N -3.382 117.035 120.400 0.028 0.000 2.622 400 D HA 0.143 4.783 4.640 -0.000 0.000 0.255 400 D C -2.753 173.241 176.300 -0.510 0.000 1.246 400 D CA -1.077 52.733 54.000 -0.316 0.000 0.795 400 D CB 1.838 42.570 40.800 -0.114 0.000 1.369 400 D HN -0.111 nan 8.370 nan 0.000 0.425 401 P HA -0.083 nan 4.420 nan 0.000 0.223 401 P C 1.080 178.092 177.300 -0.480 0.000 1.151 401 P CA 1.001 63.691 63.100 -0.683 0.000 0.787 401 P CB -0.058 31.183 31.700 -0.764 0.000 0.788 402 Y N 0.706 120.894 120.300 -0.186 0.000 2.263 402 Y HA -0.046 4.504 4.550 -0.000 0.000 0.292 402 Y C 2.641 178.493 175.900 -0.080 0.000 1.130 402 Y CA 0.922 58.953 58.100 -0.115 0.000 1.179 402 Y CB -1.044 37.354 38.460 -0.104 0.000 0.998 402 Y HN -0.000 nan 8.280 nan 0.000 0.532 403 E N 0.142 120.376 120.200 0.057 0.000 2.058 403 E HA -0.265 4.085 4.350 -0.000 0.000 0.194 403 E C 2.418 179.022 176.600 0.007 0.000 0.997 403 E CA 1.187 57.609 56.400 0.037 0.000 0.801 403 E CB -0.267 29.467 29.700 0.056 0.000 0.746 403 E HN 0.462 nan 8.360 nan 0.000 0.450 404 A N 0.290 123.116 122.820 0.009 0.000 1.933 404 A HA -0.187 4.133 4.320 -0.000 0.000 0.218 404 A C 2.287 179.850 177.584 -0.035 0.000 1.175 404 A CA 1.284 53.344 52.037 0.039 0.000 0.628 404 A CB -0.517 18.531 19.000 0.080 0.000 0.814 404 A HN 0.393 nan 8.150 nan 0.000 0.444 405 C N -0.175 119.101 119.300 -0.040 0.000 2.594 405 C HA 0.102 4.562 4.460 -0.000 0.000 0.265 405 C C 0.886 175.867 174.990 -0.015 0.000 1.351 405 C CA -0.413 58.598 59.018 -0.012 0.000 1.744 405 C CB -1.265 26.473 27.740 -0.004 0.000 1.890 405 C HN 0.574 nan 8.230 nan 0.000 0.551 406 D N 0.521 120.900 120.400 -0.035 0.000 2.363 406 D HA 0.359 4.999 4.640 -0.000 0.000 0.263 406 D C 1.192 177.442 176.300 -0.083 0.000 1.258 406 D CA 1.470 55.447 54.000 -0.038 0.000 0.907 406 D CB -0.096 40.688 40.800 -0.026 0.000 1.107 406 D HN 0.507 nan 8.370 nan 0.000 0.495 407 G N 2.692 111.448 108.800 -0.073 0.000 2.143 407 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.248 407 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.248 407 G C 0.392 175.225 174.900 -0.112 0.000 0.991 407 G CA 0.202 45.244 45.100 -0.097 0.000 0.689 407 G HN 0.862 nan 8.290 nan 0.000 0.522 408 A N -0.574 122.201 122.820 -0.075 0.000 2.302 408 A HA 0.741 5.061 4.320 -0.000 0.000 0.285 408 A C 1.026 178.597 177.584 -0.022 0.000 1.105 408 A CA 0.120 52.153 52.037 -0.006 0.000 0.816 408 A CB 0.419 19.448 19.000 0.049 0.000 1.067 408 A HN 0.408 nan 8.150 nan 0.000 0.489 409 H N 0.450 119.587 119.070 0.112 0.000 2.482 409 H HA 0.308 4.864 4.556 -0.000 0.000 0.286 409 H C 0.686 176.189 175.328 0.290 0.000 1.017 409 H CA 1.395 57.553 56.048 0.182 0.000 1.322 409 H CB 0.470 30.318 29.762 0.143 0.000 1.426 409 H HN 0.759 nan 8.280 nan 0.000 0.546 410 A N 0.760 123.795 122.820 0.357 0.000 2.549 410 A HA 0.509 4.828 4.320 -0.000 0.000 0.297 410 A C -1.170 176.577 177.584 0.272 0.000 1.061 410 A CA -0.530 51.735 52.037 0.380 0.000 0.690 410 A CB 1.803 21.057 19.000 0.423 0.000 1.287 410 A HN -0.030 nan 8.150 nan 0.000 0.402 411 V N 1.605 121.675 119.914 0.259 0.000 2.384 411 V HA 0.513 4.633 4.120 -0.000 0.000 0.287 411 V C -0.549 175.669 176.094 0.207 0.000 1.020 411 V CA -0.513 61.889 62.300 0.170 0.000 0.850 411 V CB 1.469 33.356 31.823 0.106 0.000 0.987 411 V HN 0.669 nan 8.190 nan 0.000 0.436 412 V N 6.600 126.619 119.914 0.176 0.000 2.350 412 V HA 0.462 4.582 4.120 -0.000 0.000 0.285 412 V C -0.081 176.104 176.094 0.152 0.000 1.014 412 V CA -0.368 62.069 62.300 0.227 0.000 0.831 412 V CB 1.467 33.403 31.823 0.187 0.000 1.000 412 V HN 0.694 nan 8.190 nan 0.000 0.433 413 I N 4.224 124.886 120.570 0.154 0.000 2.301 413 I HA 0.204 4.374 4.170 -0.000 0.000 0.292 413 I C 0.715 176.904 176.117 0.120 0.000 1.046 413 I CA 0.082 61.409 61.300 0.046 0.000 1.282 413 I CB 0.962 38.983 38.000 0.035 0.000 1.409 413 I HN 0.671 nan 8.210 nan 0.000 0.484 414 C N 3.105 122.477 119.300 0.120 0.000 3.019 414 C HA 0.182 4.642 4.460 -0.000 0.000 0.295 414 C C 0.959 176.003 174.990 0.090 0.000 1.256 414 C CA 0.201 59.274 59.018 0.091 0.000 1.706 414 C CB -0.174 27.633 27.740 0.112 0.000 2.153 414 C HN 0.723 nan 8.230 nan 0.000 0.618 415 T N 1.738 116.423 114.554 0.218 0.000 2.861 415 T HA 0.214 4.564 4.350 -0.000 0.000 0.287 415 T C 0.152 174.988 174.700 0.227 0.000 1.003 415 T CA -0.178 62.018 62.100 0.160 0.000 0.977 415 T CB 1.382 70.385 68.868 0.225 0.000 0.996 415 T HN 0.334 nan 8.240 nan 0.000 0.448 416 E N 1.996 122.170 120.200 -0.042 0.000 2.424 416 E HA -0.020 4.330 4.350 -0.000 0.000 0.237 416 E C -0.888 175.665 176.600 -0.078 0.000 1.381 416 E CA -0.546 55.853 56.400 -0.001 0.000 1.587 416 E CB -0.322 29.333 29.700 -0.075 0.000 1.398 416 E HN 0.620 nan 8.360 nan 0.000 0.439 417 W N 1.410 122.667 121.300 -0.072 0.000 2.264 417 W HA 0.046 4.706 4.660 -0.000 0.000 0.331 417 W C 1.110 177.436 176.519 -0.322 0.000 1.364 417 W CA -0.433 56.719 57.345 -0.323 0.000 1.253 417 W CB 0.612 29.656 29.460 -0.693 0.000 1.215 417 W HN 0.098 nan 8.180 nan 0.000 0.561 418 D N 2.485 122.923 120.400 0.063 0.000 2.158 418 D HA -0.260 4.380 4.640 -0.000 0.000 0.197 418 D C 2.235 178.541 176.300 0.010 0.000 0.995 418 D CA 2.075 56.099 54.000 0.039 0.000 0.846 418 D CB -0.298 40.535 40.800 0.056 0.000 0.941 418 D HN 0.550 nan 8.370 nan 0.000 0.456 419 M N -1.480 118.068 119.600 -0.087 0.000 2.358 419 M HA -0.091 4.389 4.480 -0.000 0.000 0.264 419 M C 1.451 177.779 176.300 0.047 0.000 1.064 419 M CA 1.202 56.458 55.300 -0.074 0.000 1.093 419 M CB -0.446 32.066 32.600 -0.147 0.000 1.401 419 M HN -0.191 nan 8.290 nan 0.000 0.440 420 F N 1.303 121.345 119.950 0.154 0.000 2.206 420 F HA -0.027 4.500 4.527 -0.000 0.000 0.298 420 F C 2.903 178.829 175.800 0.211 0.000 1.090 420 F CA 1.220 59.309 58.000 0.148 0.000 1.323 420 F CB -1.406 37.711 39.000 0.193 0.000 1.028 420 F HN 0.155 nan 8.300 nan 0.000 0.492 421 K N 0.280 120.893 120.400 0.354 0.000 2.280 421 K HA -0.109 4.211 4.320 -0.000 0.000 0.202 421 K C 1.480 178.246 176.600 0.277 0.000 1.047 421 K CA 1.232 57.690 56.287 0.284 0.000 0.942 421 K CB -0.471 32.133 32.500 0.173 0.000 0.739 421 K HN 0.266 nan 8.250 nan 0.000 0.457 422 E N 0.074 120.402 120.200 0.212 0.000 2.479 422 E HA 0.192 4.542 4.350 -0.000 0.000 0.193 422 E C 0.544 177.226 176.600 0.137 0.000 1.049 422 E CA -0.068 56.425 56.400 0.156 0.000 0.870 422 E CB -0.146 29.615 29.700 0.102 0.000 0.944 422 E HN 0.447 nan 8.360 nan 0.000 0.492 423 L N 1.466 122.744 121.223 0.091 0.000 2.473 423 L HA 0.041 4.381 4.340 -0.000 0.000 0.268 423 L C 0.846 177.674 176.870 -0.071 0.000 1.215 423 L CA -0.098 54.673 54.840 -0.115 0.000 0.823 423 L CB 0.287 42.017 42.059 -0.549 0.000 1.099 423 L HN -0.149 nan 8.230 nan 0.000 0.483 424 D N 0.458 120.900 120.400 0.070 0.000 2.483 424 D HA 0.047 4.687 4.640 -0.000 0.000 0.220 424 D C 0.537 176.897 176.300 0.099 0.000 1.173 424 D CA 0.081 54.153 54.000 0.121 0.000 0.964 424 D CB 0.268 41.128 40.800 0.101 0.000 1.046 424 D HN 0.274 nan 8.370 nan 0.000 0.517 425 Y N 1.064 121.486 120.300 0.203 0.000 2.439 425 Y HA -0.135 4.415 4.550 0.000 0.000 0.292 425 Y C 2.422 178.544 175.900 0.371 0.000 1.130 425 Y CA 0.534 58.793 58.100 0.264 0.000 1.254 425 Y CB 0.273 38.819 38.460 0.143 0.000 1.000 425 Y HN 0.268 nan 8.280 nan 0.000 0.554 426 E N 0.138 120.547 120.200 0.350 0.000 2.051 426 E HA -0.246 4.104 4.350 -0.000 0.000 0.192 426 E C 2.155 178.870 176.600 0.192 0.000 0.991 426 E CA 1.258 57.793 56.400 0.225 0.000 0.799 426 E CB -0.394 29.387 29.700 0.133 0.000 0.748 426 E HN 0.535 nan 8.360 nan 0.000 0.449 427 R N 0.221 120.812 120.500 0.152 0.000 2.083 427 R HA -0.118 4.222 4.340 -0.000 0.000 0.237 427 R C 2.530 178.923 176.300 0.155 0.000 1.137 427 R CA 1.942 58.101 56.100 0.099 0.000 0.951 427 R CB -0.511 29.797 30.300 0.013 0.000 0.851 427 R HN 0.337 nan 8.270 nan 0.000 0.434 428 I N 0.192 120.912 120.570 0.249 0.000 2.163 428 I HA -0.345 3.825 4.170 -0.000 0.000 0.243 428 I C 2.744 179.021 176.117 0.266 0.000 1.085 428 I CA 1.684 63.148 61.300 0.273 0.000 1.347 428 I CB -0.689 37.475 38.000 0.273 0.000 1.044 428 I HN 0.420 nan 8.210 nan 0.000 0.408 429 H N 2.058 121.260 119.070 0.221 0.000 2.319 429 H HA -0.208 4.348 4.556 -0.000 0.000 0.297 429 H C 2.194 177.467 175.328 -0.093 0.000 1.097 429 H CA 1.900 57.885 56.048 -0.105 0.000 1.285 429 H CB 0.100 29.604 29.762 -0.430 0.000 1.368 429 H HN 0.280 nan 8.280 nan 0.000 0.495 430 K N 0.360 120.764 120.400 0.007 0.000 2.089 430 K HA -0.163 4.157 4.320 -0.000 0.000 0.210 430 K C 1.987 178.529 176.600 -0.096 0.000 1.048 430 K CA 1.628 57.888 56.287 -0.046 0.000 0.926 430 K CB 0.006 32.511 32.500 0.009 0.000 0.714 430 K HN 0.283 nan 8.250 nan 0.000 0.448 431 K N -0.304 120.060 120.400 -0.060 0.000 2.358 431 K HA 0.195 4.515 4.320 -0.000 0.000 0.197 431 K C 0.313 176.864 176.600 -0.082 0.000 1.025 431 K CA -0.224 56.028 56.287 -0.059 0.000 1.104 431 K CB 0.421 32.908 32.500 -0.021 0.000 0.855 431 K HN 0.080 nan 8.250 nan 0.000 0.531 432 M N 1.585 121.115 119.600 -0.117 0.000 2.250 432 M HA 0.181 4.660 4.480 -0.000 0.000 0.344 432 M C 0.098 176.281 176.300 -0.195 0.000 1.150 432 M CA -0.296 54.929 55.300 -0.125 0.000 1.147 432 M CB 0.789 33.346 32.600 -0.072 0.000 1.498 432 M HN -0.026 nan 8.290 nan 0.000 0.461 433 L N 2.672 123.768 121.223 -0.212 0.000 2.473 433 L HA 0.156 4.496 4.340 -0.000 0.000 0.268 433 L C 0.172 176.946 176.870 -0.159 0.000 1.215 433 L CA -0.042 54.653 54.840 -0.241 0.000 0.823 433 L CB 0.090 41.854 42.059 -0.492 0.000 1.099 433 L HN 0.502 nan 8.230 nan 0.000 0.483 434 K N 1.901 122.251 120.400 -0.085 0.000 2.324 434 K HA 0.511 4.831 4.320 -0.000 0.000 0.253 434 K C -2.211 174.452 176.600 0.104 0.000 0.932 434 K CA -1.689 54.571 56.287 -0.045 0.000 0.799 434 K CB 1.270 33.714 32.500 -0.093 0.000 1.154 434 K HN 0.381 nan 8.250 nan 0.000 0.425 435 P HA 0.286 nan 4.420 nan 0.000 0.272 435 P C -1.033 176.196 177.300 -0.118 0.000 1.223 435 P CA -0.541 62.526 63.100 -0.056 0.000 0.784 435 P CB 0.690 32.311 31.700 -0.132 0.000 0.923 436 A N 2.136 124.813 122.820 -0.238 0.000 2.288 436 A HA 0.642 4.962 4.320 -0.000 0.000 0.320 436 A C -0.884 176.652 177.584 -0.079 0.000 1.217 436 A CA -0.545 51.462 52.037 -0.050 0.000 0.840 436 A CB 0.086 19.022 19.000 -0.106 0.000 1.179 436 A HN 0.405 nan 8.150 nan 0.000 0.504 437 F N 1.476 121.520 119.950 0.157 0.000 2.508 437 F HA 0.621 5.148 4.527 -0.000 0.000 0.325 437 F C 0.105 175.837 175.800 -0.113 0.000 1.090 437 F CA -0.570 57.394 58.000 -0.060 0.000 0.945 437 F CB 1.940 40.827 39.000 -0.187 0.000 1.156 437 F HN 0.341 nan 8.300 nan 0.000 0.463 438 I N 3.149 123.605 120.570 -0.190 0.000 2.406 438 I HA 0.340 4.510 4.170 -0.000 0.000 0.290 438 I C -1.281 174.562 176.117 -0.457 0.000 0.999 438 I CA -0.584 60.566 61.300 -0.250 0.000 1.124 438 I CB 1.423 39.204 38.000 -0.365 0.000 1.289 438 I HN 0.376 nan 8.210 nan 0.000 0.441 439 F N 3.802 123.773 119.950 0.036 0.000 2.347 439 F HA 0.254 4.781 4.527 -0.000 0.000 0.366 439 F C 0.258 176.178 175.800 0.201 0.000 1.107 439 F CA -0.733 57.307 58.000 0.068 0.000 1.058 439 F CB 0.761 39.694 39.000 -0.111 0.000 1.236 439 F HN 0.363 nan 8.300 nan 0.000 0.456 440 D N 2.695 123.256 120.400 0.269 0.000 2.441 440 D HA 0.203 4.843 4.640 -0.000 0.000 0.221 440 D C 1.094 177.513 176.300 0.198 0.000 1.156 440 D CA -0.099 54.017 54.000 0.193 0.000 0.896 440 D CB 1.317 42.168 40.800 0.086 0.000 1.028 440 D HN 0.703 nan 8.370 nan 0.000 0.509 441 G N 3.204 112.069 108.800 0.108 0.000 3.026 441 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.208 441 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.208 441 G C 1.184 175.958 174.900 -0.211 0.000 1.169 441 G CA -0.090 44.798 45.100 -0.353 0.000 0.788 441 G HN 0.299 nan 8.290 nan 0.000 0.533 442 R N -0.415 120.054 120.500 -0.051 0.000 2.531 442 R HA 0.186 4.526 4.340 -0.000 0.000 0.316 442 R C 0.575 176.877 176.300 0.003 0.000 0.955 442 R CA -0.490 55.592 56.100 -0.030 0.000 1.120 442 R CB 0.241 30.551 30.300 0.017 0.000 1.361 442 R HN 0.104 nan 8.270 nan 0.000 0.534 443 R N 0.248 120.765 120.500 0.028 0.000 3.758 443 R HA -0.109 4.231 4.340 -0.000 0.000 0.299 443 R C 1.112 177.440 176.300 0.048 0.000 1.182 443 R CA 1.063 57.188 56.100 0.042 0.000 0.809 443 R CB -2.898 27.410 30.300 0.015 0.000 1.249 443 R HN 0.293 nan 8.270 nan 0.000 0.497 444 V N -3.340 116.618 119.914 0.073 0.000 3.235 444 V HA 0.083 4.203 4.120 -0.000 0.000 0.259 444 V C 1.768 177.914 176.094 0.087 0.000 1.133 444 V CA 1.057 63.409 62.300 0.087 0.000 1.128 444 V CB -0.117 31.792 31.823 0.144 0.000 0.757 444 V HN 0.265 nan 8.190 nan 0.000 0.469 445 L N 0.441 121.714 121.223 0.084 0.000 2.628 445 L HA 0.339 4.679 4.340 -0.000 0.000 0.229 445 L C 0.132 177.056 176.870 0.090 0.000 1.137 445 L CA -0.295 54.583 54.840 0.063 0.000 0.909 445 L CB -0.516 41.532 42.059 -0.018 0.000 1.137 445 L HN 0.242 nan 8.230 nan 0.000 0.470 446 D N 1.356 121.768 120.400 0.020 0.000 2.506 446 D HA 0.187 4.827 4.640 -0.000 0.000 0.234 446 D C 1.363 177.582 176.300 -0.134 0.000 1.143 446 D CA 1.487 55.394 54.000 -0.156 0.000 0.871 446 D CB 0.686 41.416 40.800 -0.117 0.000 1.190 446 D HN 0.285 nan 8.370 nan 0.000 0.459 447 G N 1.264 109.928 108.800 -0.228 0.000 2.155 447 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.257 447 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.257 447 G C 0.646 175.525 174.900 -0.036 0.000 0.983 447 G CA 0.058 45.093 45.100 -0.109 0.000 0.676 447 G HN 0.414 nan 8.290 nan 0.000 0.528 448 L N -0.378 120.850 121.223 0.008 0.000 2.858 448 L HA 0.375 4.715 4.340 -0.000 0.000 0.251 448 L C 1.981 178.907 176.870 0.092 0.000 1.149 448 L CA 0.442 55.304 54.840 0.037 0.000 0.955 448 L CB -0.388 41.665 42.059 -0.010 0.000 1.289 448 L HN 0.496 nan 8.230 nan 0.000 0.542 449 H N -0.612 118.415 119.070 -0.072 0.000 2.353 449 H HA -0.088 4.468 4.556 -0.000 0.000 0.300 449 H C 1.286 176.586 175.328 -0.047 0.000 1.090 449 H CA 1.217 57.223 56.048 -0.070 0.000 1.327 449 H CB 0.429 30.160 29.762 -0.052 0.000 1.383 449 H HN 0.363 nan 8.280 nan 0.000 0.508 450 N N 0.971 119.731 118.700 0.100 0.000 2.142 450 N HA -0.120 4.620 4.740 -0.000 0.000 0.186 450 N C 1.826 177.352 175.510 0.027 0.000 1.023 450 N CA 1.045 54.123 53.050 0.046 0.000 0.852 450 N CB -0.251 38.254 38.487 0.030 0.000 0.998 450 N HN 0.463 nan 8.380 nan 0.000 0.424 451 E N 0.847 121.064 120.200 0.029 0.000 2.051 451 E HA -0.037 4.313 4.350 -0.000 0.000 0.192 451 E C 2.114 178.734 176.600 0.034 0.000 0.991 451 E CA 0.608 57.024 56.400 0.027 0.000 0.799 451 E CB -0.311 29.410 29.700 0.034 0.000 0.748 451 E HN 0.278 nan 8.360 nan 0.000 0.449 452 L N 0.499 121.736 121.223 0.024 0.000 2.046 452 L HA -0.228 4.112 4.340 -0.000 0.000 0.208 452 L C 2.492 179.427 176.870 0.109 0.000 1.077 452 L CA 1.305 56.193 54.840 0.079 0.000 0.747 452 L CB -0.356 41.629 42.059 -0.123 0.000 0.896 452 L HN 0.176 nan 8.230 nan 0.000 0.432 453 Q N -0.740 119.071 119.800 0.018 0.000 2.079 453 Q HA -0.168 4.172 4.340 -0.000 0.000 0.200 453 Q C 2.210 178.177 176.000 -0.055 0.000 0.974 453 Q CA 1.998 57.790 55.803 -0.019 0.000 0.840 453 Q CB -0.197 28.530 28.738 -0.019 0.000 0.898 453 Q HN 0.443 nan 8.270 nan 0.000 0.430 454 T N 1.257 115.787 114.554 -0.039 0.000 2.720 454 T HA -0.147 4.203 4.350 -0.000 0.000 0.268 454 T C 1.802 176.434 174.700 -0.112 0.000 1.037 454 T CA 1.085 63.151 62.100 -0.055 0.000 1.144 454 T CB -0.201 68.651 68.868 -0.026 0.000 0.864 454 T HN 0.210 nan 8.240 nan 0.000 0.444 455 I N 0.236 120.726 120.570 -0.133 0.000 2.286 455 I HA -0.024 4.146 4.170 -0.000 0.000 0.248 455 I C 2.098 177.796 176.117 -0.698 0.000 1.115 455 I CA 1.355 62.477 61.300 -0.295 0.000 1.392 455 I CB -0.162 37.740 38.000 -0.164 0.000 1.065 455 I HN 0.522 nan 8.210 nan 0.000 0.418 456 G N -0.574 107.877 108.800 -0.581 0.000 2.370 456 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.174 456 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.174 456 G C 0.101 174.779 174.900 -0.370 0.000 1.002 456 G CA -0.766 44.017 45.100 -0.529 0.000 0.730 456 G HN 0.115 nan 8.290 nan 0.000 0.497 457 F N 1.604 121.423 119.950 -0.218 0.000 2.429 457 F HA 0.472 4.999 4.527 -0.000 0.000 0.348 457 F C 1.101 176.767 175.800 -0.224 0.000 1.109 457 F CA -0.027 57.884 58.000 -0.148 0.000 1.232 457 F CB 1.026 39.942 39.000 -0.141 0.000 1.157 457 F HN 0.070 nan 8.300 nan 0.000 0.564 458 Q N 3.858 123.583 119.800 -0.126 0.000 2.361 458 Q HA 0.327 4.667 4.340 -0.000 0.000 0.250 458 Q C -1.084 174.800 176.000 -0.193 0.000 1.023 458 Q CA -0.729 54.949 55.803 -0.209 0.000 0.915 458 Q CB 0.640 29.138 28.738 -0.400 0.000 1.238 458 Q HN 0.613 nan 8.270 nan 0.000 0.451 459 I N 3.840 124.284 120.570 -0.209 0.000 2.331 459 I HA 0.269 4.439 4.170 -0.000 0.000 0.292 459 I C -1.028 174.904 176.117 -0.308 0.000 0.998 459 I CA 0.115 61.214 61.300 -0.336 0.000 1.267 459 I CB 1.177 38.890 38.000 -0.479 0.000 1.386 459 I HN 0.625 nan 8.210 nan 0.000 0.476 460 E N 4.468 124.485 120.200 -0.305 0.000 2.266 460 E HA 0.565 4.915 4.350 -0.000 0.000 0.268 460 E C -1.078 175.524 176.600 0.004 0.000 0.879 460 E CA -0.894 55.434 56.400 -0.121 0.000 0.762 460 E CB 2.228 31.900 29.700 -0.047 0.000 1.199 460 E HN 0.578 nan 8.360 nan 0.000 0.422 461 T N 1.317 115.927 114.554 0.094 0.000 2.868 461 T HA 0.437 4.787 4.350 -0.000 0.000 0.306 461 T C -0.831 173.963 174.700 0.157 0.000 1.224 461 T CA -0.590 61.602 62.100 0.155 0.000 1.012 461 T CB 0.893 69.856 68.868 0.159 0.000 1.221 461 T HN 0.348 nan 8.240 nan 0.000 0.499 462 I N 2.608 123.256 120.570 0.131 0.000 2.618 462 I HA 0.348 4.518 4.170 -0.000 0.000 0.284 462 I C 1.555 177.707 176.117 0.057 0.000 1.146 462 I CA 1.334 62.681 61.300 0.078 0.000 1.425 462 I CB 0.757 38.750 38.000 -0.011 0.000 1.383 462 I HN 1.058 nan 8.210 nan 0.000 0.562 463 G N 4.477 113.308 108.800 0.052 0.000 2.148 463 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.254 463 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.254 463 G C 0.138 175.068 174.900 0.049 0.000 0.981 463 G CA 0.035 45.160 45.100 0.042 0.000 0.670 463 G HN 0.625 nan 8.290 nan 0.000 0.528 464 K N 0.219 120.660 120.400 0.068 0.000 2.443 464 K HA 0.477 4.797 4.320 -0.000 0.000 0.252 464 K C -0.018 176.625 176.600 0.072 0.000 0.933 464 K CA -0.886 55.444 56.287 0.072 0.000 0.792 464 K CB 1.229 33.793 32.500 0.106 0.000 1.185 464 K HN 0.131 nan 8.250 nan 0.000 0.425 465 K N 2.940 123.375 120.400 0.059 0.000 2.326 465 K HA 0.122 4.442 4.320 -0.000 0.000 0.275 465 K C -0.148 176.484 176.600 0.055 0.000 1.018 465 K CA -0.469 55.850 56.287 0.053 0.000 0.962 465 K CB 0.805 33.330 32.500 0.043 0.000 0.953 465 K HN 0.324 nan 8.250 nan 0.000 0.475 466 V N 0.000 119.945 119.914 0.051 0.000 2.409 466 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 466 V CA 0.000 62.327 62.300 0.044 0.000 1.235 466 V CB 0.000 31.853 31.823 0.051 0.000 1.184 466 V HN 0.000 nan 8.190 nan 0.000 0.556