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 1yrq_1_M DATA FIRST_RESID 5 DATA SEQUENCE KPTPQSTFTG PIVVDPITRI EGHLRIMVEV ENGKVKDAWS SSQLFRGLEI DATA SEQUENCE ILKGRDPRDA QHFTQRACGV CTYVHALASS RCVDDAVKVS IPANARMMRN DATA SEQUENCE LVMASQYLHD HLVHFYHLHA LDWVDVTAAL KADPNKAAKL AASIAPARPG DATA SEQUENCE NSAKALKAVQ DKLKAFVESG QLGIFTNAYF LGGHKAYYLP PEVNLIATAH DATA SEQUENCE YLEALHMQVK AASAMAILGG KNPHTQFTVV GGCSNYQGLT KDPLANYLAL DATA SEQUENCE SKEVcQFVNE CYIPDLLAVA GFYKDWGGIG GTSNYLAFGE FATDDSSPSK DATA SEQUENCE HLATSQFPSG VITGRDLGKV DNVDLGAIYE DVKYSWYAPG GDGKHPYDGV DATA SEQUENCE TDPKYTKLDD KDHYSWMKAP RYKGKAMEVG PLARTFIAYA KGQPDFKKVV DATA SEQUENCE DMVLGKLSVP ATALHSTLGR TAARGIETAI VcANMEKWIK EMADSGAKDN DATA SEQUENCE TLCAKWEMPE ESKGVGLADA PRGALSHWIR IKGKKIDNFQ LVVPSTWNLG DATA SEQUENCE PRGAQGDKSP VEEALIGTPI ADPKRPVEIL RTVHAFDPCI ACGVH 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 5 K HA 0.000 nan 4.320 nan 0.000 0.191 5 K C 0.000 176.575 176.600 -0.042 0.000 0.988 5 K CA 0.000 56.262 56.287 -0.042 0.000 0.838 5 K CB 0.000 nan 32.500 nan 0.000 1.064 6 P HA 0.493 nan 4.420 nan 0.000 0.282 6 P C -0.650 176.673 177.300 0.039 0.000 1.287 6 P CA -0.066 63.042 63.100 0.013 0.000 0.792 6 P CB 0.420 32.132 31.700 0.020 0.000 1.163 7 T N 2.005 116.607 114.554 0.080 0.000 2.752 7 T HA 0.260 4.610 4.350 -0.000 0.000 0.295 7 T C -2.197 172.596 174.700 0.156 0.000 0.923 7 T CA -0.542 61.656 62.100 0.162 0.000 1.112 7 T CB -0.332 68.606 68.868 0.116 0.000 0.884 7 T HN 0.310 nan 8.240 nan 0.000 0.525 8 P HA 0.078 nan 4.420 nan 0.000 0.261 8 P C -0.463 176.933 177.300 0.161 0.000 1.183 8 P CA 0.083 63.293 63.100 0.184 0.000 0.761 8 P CB 0.348 32.204 31.700 0.259 0.000 0.785 9 Q N 2.140 122.007 119.800 0.113 0.000 2.268 9 Q HA 0.430 4.770 4.340 -0.000 0.000 0.266 9 Q C -0.606 175.445 176.000 0.084 0.000 1.006 9 Q CA -0.626 55.236 55.803 0.097 0.000 0.824 9 Q CB 1.558 30.341 28.738 0.074 0.000 1.306 9 Q HN 0.524 nan 8.270 nan 0.000 0.424 10 S N 1.430 117.185 115.700 0.093 0.000 2.652 10 S HA 0.291 4.761 4.470 -0.000 0.000 0.267 10 S C 0.832 175.492 174.600 0.102 0.000 1.201 10 S CA 0.372 58.629 58.200 0.094 0.000 0.996 10 S CB 1.056 64.320 63.200 0.108 0.000 1.054 10 S HN 0.802 nan 8.310 nan 0.000 0.561 11 T N -2.128 112.490 114.554 0.107 0.000 3.134 11 T HA 0.268 4.618 4.350 -0.000 0.000 0.260 11 T C -0.028 174.732 174.700 0.098 0.000 1.027 11 T CA -0.585 61.564 62.100 0.082 0.000 0.913 11 T CB -0.942 67.956 68.868 0.050 0.000 1.046 11 T HN 0.499 nan 8.240 nan 0.000 0.553 12 F N 3.205 123.163 119.950 0.014 0.000 2.571 12 F HA 0.380 4.907 4.527 -0.000 0.000 0.384 12 F C -0.158 175.651 175.800 0.015 0.000 1.058 12 F CA 0.274 58.282 58.000 0.013 0.000 1.200 12 F CB 0.478 39.485 39.000 0.013 0.000 1.077 12 F HN -0.005 nan 8.300 nan 0.000 0.558 13 T N 5.550 119.612 114.554 -0.820 0.000 2.772 13 T HA 0.708 5.058 4.350 -0.000 0.000 0.288 13 T C 0.067 174.083 174.700 -1.140 0.000 0.994 13 T CA -0.029 61.647 62.100 -0.707 0.000 0.951 13 T CB 0.910 69.579 68.868 -0.332 0.000 0.933 13 T HN 1.078 nan 8.240 nan 0.000 0.447 14 G N 4.437 112.760 108.800 -0.794 0.000 2.333 14 G HA2 0.459 4.419 3.960 -0.000 0.000 0.288 14 G HA3 0.459 4.419 3.960 -0.000 0.000 0.288 14 G C -3.415 171.549 174.900 0.107 0.000 1.286 14 G CA -0.856 44.041 45.100 -0.340 0.000 0.865 14 G HN 0.468 nan 8.290 nan 0.000 0.506 15 P HA 0.683 nan 4.420 nan 0.000 0.286 15 P C -0.828 176.622 177.300 0.249 0.000 1.261 15 P CA -0.450 62.767 63.100 0.193 0.000 0.821 15 P CB 1.817 33.571 31.700 0.090 0.000 1.013 16 I N 1.629 122.305 120.570 0.176 0.000 2.499 16 I HA 0.319 4.489 4.170 -0.000 0.000 0.288 16 I C -0.509 175.662 176.117 0.090 0.000 1.048 16 I CA -1.144 60.220 61.300 0.106 0.000 1.062 16 I CB 2.492 40.533 38.000 0.068 0.000 1.238 16 I HN -0.032 nan 8.210 nan 0.000 0.426 17 V N 6.840 126.796 119.914 0.070 0.000 2.417 17 V HA 0.407 4.527 4.120 -0.000 0.000 0.291 17 V C -0.153 175.988 176.094 0.079 0.000 1.024 17 V CA -0.678 61.666 62.300 0.073 0.000 0.861 17 V CB 2.184 34.042 31.823 0.059 0.000 0.985 17 V HN 0.408 nan 8.190 nan 0.000 0.436 18 V N 3.987 123.957 119.914 0.093 0.000 2.334 18 V HA 0.597 4.717 4.120 -0.000 0.000 0.281 18 V C -0.719 175.440 176.094 0.108 0.000 1.016 18 V CA -0.267 62.095 62.300 0.103 0.000 0.832 18 V CB 1.501 33.390 31.823 0.109 0.000 0.999 18 V HN 0.934 nan 8.190 nan 0.000 0.439 19 D N 5.459 125.924 120.400 0.108 0.000 2.591 19 D HA 0.472 5.112 4.640 -0.000 0.000 0.222 19 D C -2.524 173.841 176.300 0.109 0.000 1.360 19 D CA -0.679 53.392 54.000 0.118 0.000 0.967 19 D CB 2.599 43.472 40.800 0.122 0.000 1.456 19 D HN 0.424 nan 8.370 nan 0.000 0.588 20 P HA 0.462 nan 4.420 nan 0.000 0.282 20 P C -0.215 177.150 177.300 0.108 0.000 1.259 20 P CA -0.721 62.457 63.100 0.130 0.000 0.826 20 P CB 1.116 32.899 31.700 0.140 0.000 1.064 21 I N 2.274 122.912 120.570 0.112 0.000 2.436 21 I HA 0.068 4.238 4.170 -0.000 0.000 0.289 21 I C 1.281 177.468 176.117 0.116 0.000 1.083 21 I CA 0.273 61.629 61.300 0.094 0.000 1.372 21 I CB 0.228 38.277 38.000 0.081 0.000 1.408 21 I HN 0.513 nan 8.210 nan 0.000 0.516 22 T N 3.647 118.273 114.554 0.121 0.000 2.862 22 T HA 0.469 4.819 4.350 -0.000 0.000 0.276 22 T C 0.659 175.482 174.700 0.206 0.000 0.974 22 T CA -0.829 61.339 62.100 0.114 0.000 0.966 22 T CB 0.904 69.802 68.868 0.050 0.000 1.072 22 T HN 0.597 nan 8.240 nan 0.000 0.538 23 R N 0.007 120.561 120.500 0.089 0.000 3.336 23 R HA -0.133 4.207 4.340 -0.000 0.000 0.260 23 R C -0.212 176.107 176.300 0.031 0.000 1.032 23 R CA 0.784 56.882 56.100 -0.004 0.000 0.693 23 R CB -2.164 28.039 30.300 -0.162 0.000 1.134 23 R HN 0.798 nan 8.270 nan 0.000 0.433 24 I N -4.659 115.983 120.570 0.120 0.000 3.195 24 I HA 0.509 4.679 4.170 -0.000 0.000 0.313 24 I C -0.175 175.994 176.117 0.086 0.000 1.237 24 I CA -1.282 60.109 61.300 0.152 0.000 0.963 24 I CB 1.974 40.098 38.000 0.207 0.000 1.278 24 I HN -0.210 nan 8.210 nan 0.000 0.460 25 E N 2.065 122.321 120.200 0.092 0.000 2.316 25 E HA 0.532 4.882 4.350 -0.000 0.000 0.275 25 E C 0.210 176.815 176.600 0.008 0.000 1.029 25 E CA 1.311 57.740 56.400 0.050 0.000 0.871 25 E CB 0.973 30.724 29.700 0.086 0.000 1.022 25 E HN 1.040 nan 8.360 nan 0.000 0.418 26 G N 4.255 112.986 108.800 -0.116 0.000 2.660 26 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.215 26 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.215 26 G C -0.928 173.743 174.900 -0.382 0.000 1.345 26 G CA -0.476 44.489 45.100 -0.225 0.000 0.877 26 G HN 0.713 nan 8.290 nan 0.000 0.549 27 H N -0.405 118.746 119.070 0.134 0.000 2.673 27 H HA 0.577 5.133 4.556 -0.000 0.000 0.293 27 H C -0.427 175.010 175.328 0.181 0.000 1.065 27 H CA -0.380 55.756 56.048 0.147 0.000 1.236 27 H CB 1.342 31.189 29.762 0.141 0.000 1.389 27 H HN 0.501 nan 8.280 nan 0.000 0.481 28 L N 3.212 124.574 121.223 0.231 0.000 2.362 28 L HA 0.483 4.823 4.340 -0.000 0.000 0.271 28 L C -0.306 176.685 176.870 0.202 0.000 1.002 28 L CA -0.681 54.288 54.840 0.215 0.000 0.818 28 L CB 1.896 44.053 42.059 0.163 0.000 1.298 28 L HN 0.546 nan 8.230 nan 0.000 0.420 29 R N 5.149 125.776 120.500 0.211 0.000 2.561 29 R HA 0.685 5.025 4.340 -0.000 0.000 0.297 29 R C -1.783 174.619 176.300 0.170 0.000 0.969 29 R CA -0.627 55.585 56.100 0.186 0.000 0.879 29 R CB 1.226 31.652 30.300 0.210 0.000 1.178 29 R HN 0.625 nan 8.270 nan 0.000 0.445 30 I N 5.373 126.026 120.570 0.139 0.000 2.433 30 I HA 0.365 4.535 4.170 -0.000 0.000 0.292 30 I C -0.652 175.542 176.117 0.129 0.000 1.001 30 I CA -0.932 60.447 61.300 0.132 0.000 1.119 30 I CB 1.831 39.894 38.000 0.104 0.000 1.289 30 I HN 0.725 nan 8.210 nan 0.000 0.438 31 M N 7.087 126.782 119.600 0.157 0.000 2.321 31 M HA 0.606 5.086 4.480 -0.000 0.000 0.315 31 M C -0.458 176.006 176.300 0.272 0.000 1.052 31 M CA -0.701 54.691 55.300 0.153 0.000 0.936 31 M CB 2.340 34.967 32.600 0.045 0.000 1.639 31 M HN 0.371 nan 8.290 nan 0.000 0.433 32 V N -0.812 119.241 119.914 0.231 0.000 3.007 32 V HA 0.759 4.879 4.120 -0.000 0.000 0.311 32 V C -1.110 175.134 176.094 0.251 0.000 1.120 32 V CA -0.757 61.697 62.300 0.256 0.000 0.980 32 V CB 2.214 34.131 31.823 0.157 0.000 1.033 32 V HN 0.824 nan 8.190 nan 0.000 0.429 33 E N 1.232 121.590 120.200 0.263 0.000 2.166 33 E HA 0.730 5.080 4.350 -0.000 0.000 0.275 33 E C -1.159 175.524 176.600 0.137 0.000 0.941 33 E CA -0.473 56.042 56.400 0.192 0.000 0.784 33 E CB 2.109 31.930 29.700 0.201 0.000 1.115 33 E HN 0.742 nan 8.360 nan 0.000 0.399 34 V N 3.110 123.106 119.914 0.136 0.000 2.628 34 V HA 0.431 4.551 4.120 -0.000 0.000 0.306 34 V C -0.357 175.758 176.094 0.036 0.000 1.045 34 V CA -0.714 61.665 62.300 0.132 0.000 0.905 34 V CB 1.893 33.890 31.823 0.289 0.000 0.997 34 V HN 0.665 nan 8.190 nan 0.000 0.436 35 E N 2.878 123.094 120.200 0.027 0.000 2.246 35 E HA 0.338 4.688 4.350 -0.000 0.000 0.266 35 E C -0.512 176.090 176.600 0.003 0.000 0.880 35 E CA -0.573 55.817 56.400 -0.017 0.000 0.762 35 E CB 1.069 30.762 29.700 -0.012 0.000 1.180 35 E HN 0.804 nan 8.360 nan 0.000 0.416 36 N N 2.874 121.563 118.700 -0.018 0.000 2.698 36 N HA -0.291 4.449 4.740 -0.000 0.000 0.258 36 N C 0.630 176.171 175.510 0.052 0.000 0.978 36 N CA 0.973 54.030 53.050 0.012 0.000 0.777 36 N CB -0.936 37.554 38.487 0.005 0.000 0.907 36 N HN 0.996 nan 8.380 nan 0.000 0.543 37 G N -1.119 107.741 108.800 0.101 0.000 2.179 37 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.260 37 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.260 37 G C 0.064 175.025 174.900 0.102 0.000 0.977 37 G CA 1.009 46.188 45.100 0.131 0.000 0.641 37 G HN 0.537 nan 8.290 nan 0.000 0.533 38 K N -0.070 120.375 120.400 0.075 0.000 2.259 38 K HA 0.633 4.953 4.320 -0.000 0.000 0.252 38 K C 0.350 176.984 176.600 0.057 0.000 0.936 38 K CA -0.817 55.502 56.287 0.053 0.000 0.810 38 K CB 2.586 35.100 32.500 0.024 0.000 1.143 38 K HN 0.032 nan 8.250 nan 0.000 0.427 39 V N 4.236 124.182 119.914 0.053 0.000 2.655 39 V HA 0.003 4.123 4.120 -0.000 0.000 0.300 39 V C 0.667 176.773 176.094 0.019 0.000 1.044 39 V CA 0.464 62.795 62.300 0.051 0.000 1.095 39 V CB 1.025 32.878 31.823 0.050 0.000 0.952 39 V HN 0.718 nan 8.190 nan 0.000 0.485 40 K N 1.902 122.312 120.400 0.017 0.000 2.425 40 K HA 0.352 4.672 4.320 -0.000 0.000 0.201 40 K C -0.113 176.452 176.600 -0.057 0.000 1.128 40 K CA 0.073 56.353 56.287 -0.012 0.000 1.000 40 K CB 0.465 32.968 32.500 0.004 0.000 0.961 40 K HN 0.725 nan 8.250 nan 0.000 0.555 41 D N -0.800 119.557 120.400 -0.072 0.000 2.706 41 D HA 0.551 5.191 4.640 -0.000 0.000 0.225 41 D C -1.785 174.338 176.300 -0.295 0.000 1.241 41 D CA -0.302 53.545 54.000 -0.255 0.000 0.784 41 D CB 2.008 42.659 40.800 -0.248 0.000 1.521 41 D HN -0.019 nan 8.370 nan 0.000 0.461 42 A N 1.943 124.392 122.820 -0.620 0.000 2.539 42 A HA 0.789 5.109 4.320 -0.000 0.000 0.296 42 A C -1.666 175.556 177.584 -0.603 0.000 1.073 42 A CA -0.774 51.057 52.037 -0.343 0.000 0.700 42 A CB 1.836 20.739 19.000 -0.161 0.000 1.296 42 A HN 0.361 nan 8.150 nan 0.000 0.405 43 W N 0.727 121.936 121.300 -0.151 0.000 2.957 43 W HA 0.502 5.162 4.660 -0.000 0.000 0.336 43 W C -0.244 176.244 176.519 -0.052 0.000 1.087 43 W CA -0.508 56.688 57.345 -0.248 0.000 1.235 43 W CB 2.432 31.552 29.460 -0.566 0.000 1.399 43 W HN 0.673 nan 8.180 nan 0.000 0.480 44 S N 2.311 118.182 115.700 0.286 0.000 2.488 44 S HA 0.265 4.735 4.470 -0.000 0.000 0.310 44 S C -0.416 174.380 174.600 0.325 0.000 1.093 44 S CA -0.058 58.283 58.200 0.236 0.000 1.129 44 S CB 0.522 63.794 63.200 0.120 0.000 0.989 44 S HN 0.324 nan 8.310 nan 0.000 0.479 45 S N 4.303 120.185 115.700 0.303 0.000 2.474 45 S HA 0.445 4.915 4.470 -0.000 0.000 0.320 45 S C -0.199 174.586 174.600 0.310 0.000 1.067 45 S CA -0.612 57.774 58.200 0.311 0.000 1.127 45 S CB 0.178 63.576 63.200 0.330 0.000 0.971 45 S HN 0.669 nan 8.310 nan 0.000 0.472 46 S N 4.476 120.361 115.700 0.308 0.000 2.528 46 S HA 0.229 4.699 4.470 -0.000 0.000 0.277 46 S C 0.780 175.753 174.600 0.622 0.000 1.297 46 S CA -0.626 57.815 58.200 0.401 0.000 1.052 46 S CB 1.055 64.475 63.200 0.367 0.000 0.917 46 S HN 0.739 nan 8.310 nan 0.000 0.492 47 Q N 0.776 120.909 119.800 0.555 0.000 2.247 47 Q HA 0.300 4.640 4.340 -0.000 0.000 0.211 47 Q C -0.649 175.628 176.000 0.461 0.000 0.861 47 Q CA -0.003 56.140 55.803 0.567 0.000 0.949 47 Q CB 0.358 29.322 28.738 0.376 0.000 1.115 47 Q HN 0.570 nan 8.270 nan 0.000 0.507 48 L N -0.080 121.369 121.223 0.378 0.000 2.410 48 L HA 0.568 4.908 4.340 -0.000 0.000 0.270 48 L C -1.667 175.114 176.870 -0.148 0.000 0.983 48 L CA -0.865 54.012 54.840 0.062 0.000 0.822 48 L CB 1.680 43.798 42.059 0.098 0.000 1.285 48 L HN -0.114 nan 8.230 nan 0.000 0.409 49 F N 4.418 123.907 119.950 -0.769 0.000 2.482 49 F HA 0.607 5.134 4.527 -0.000 0.000 0.331 49 F C 0.659 176.192 175.800 -0.444 0.000 1.115 49 F CA -0.251 57.272 58.000 -0.796 0.000 0.955 49 F CB 1.801 39.798 39.000 -1.672 0.000 1.136 49 F HN 0.636 nan 8.300 nan 0.000 0.452 50 R N 2.443 122.395 120.500 -0.914 0.000 2.194 50 R HA 0.320 4.660 4.340 -0.000 0.000 0.194 50 R C 0.471 176.309 176.300 -0.769 0.000 0.985 50 R CA 0.426 56.167 56.100 -0.598 0.000 1.104 50 R CB 0.536 30.640 30.300 -0.325 0.000 1.092 50 R HN 0.953 nan 8.270 nan 0.000 0.555 51 G N 1.262 109.292 108.800 -1.284 0.000 2.325 51 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.248 51 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.248 51 G C 0.370 175.142 174.900 -0.213 0.000 1.108 51 G CA -0.112 44.556 45.100 -0.720 0.000 0.881 51 G HN 0.142 nan 8.290 nan 0.000 0.494 52 L N -0.666 120.451 121.223 -0.175 0.000 2.072 52 L HA 0.007 4.347 4.340 -0.000 0.000 0.205 52 L C 2.754 179.600 176.870 -0.040 0.000 1.079 52 L CA 1.868 56.668 54.840 -0.066 0.000 0.752 52 L CB -0.382 41.643 42.059 -0.057 0.000 0.906 52 L HN 0.449 nan 8.230 nan 0.000 0.436 53 E N 0.522 120.743 120.200 0.034 0.000 2.130 53 E HA -0.249 4.101 4.350 -0.000 0.000 0.196 53 E C 2.181 178.813 176.600 0.053 0.000 0.998 53 E CA 1.432 57.878 56.400 0.077 0.000 0.806 53 E CB -0.164 29.634 29.700 0.163 0.000 0.738 53 E HN 0.481 nan 8.360 nan 0.000 0.459 54 I N 0.429 121.042 120.570 0.072 0.000 2.233 54 I HA -0.232 3.938 4.170 -0.000 0.000 0.243 54 I C 2.243 178.365 176.117 0.008 0.000 1.093 54 I CA 0.884 62.227 61.300 0.073 0.000 1.380 54 I CB -0.148 37.931 38.000 0.132 0.000 1.067 54 I HN 0.082 nan 8.210 nan 0.000 0.413 55 I N 0.504 121.062 120.570 -0.020 0.000 2.335 55 I HA -0.299 3.871 4.170 -0.000 0.000 0.251 55 I C 2.305 178.301 176.117 -0.201 0.000 1.129 55 I CA 1.457 62.721 61.300 -0.060 0.000 1.402 55 I CB -0.159 37.843 38.000 0.004 0.000 1.069 55 I HN 0.222 nan 8.210 nan 0.000 0.424 56 L N 0.034 121.108 121.223 -0.249 0.000 2.313 56 L HA -0.078 4.262 4.340 -0.000 0.000 0.214 56 L C 1.311 178.050 176.870 -0.218 0.000 1.119 56 L CA 0.418 55.026 54.840 -0.386 0.000 0.809 56 L CB -0.309 41.511 42.059 -0.398 0.000 0.933 56 L HN 0.084 nan 8.230 nan 0.000 0.449 57 K N 0.432 120.774 120.400 -0.097 0.000 2.484 57 K HA 0.064 4.384 4.320 -0.000 0.000 0.280 57 K C 1.055 177.626 176.600 -0.048 0.000 1.013 57 K CA 0.893 57.161 56.287 -0.032 0.000 1.029 57 K CB 0.278 32.782 32.500 0.007 0.000 0.902 57 K HN 0.268 nan 8.250 nan 0.000 0.481 58 G N 3.100 111.886 108.800 -0.024 0.000 2.179 58 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.260 58 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.260 58 G C 0.120 174.998 174.900 -0.037 0.000 0.977 58 G CA 0.149 45.238 45.100 -0.019 0.000 0.641 58 G HN 0.620 nan 8.290 nan 0.000 0.533 59 R N 0.173 120.624 120.500 -0.081 0.000 2.549 59 R HA 0.439 4.779 4.340 -0.000 0.000 0.259 59 R C -0.268 176.003 176.300 -0.048 0.000 1.095 59 R CA -0.673 55.367 56.100 -0.101 0.000 1.148 59 R CB 0.442 30.590 30.300 -0.253 0.000 1.181 59 R HN 0.173 nan 8.270 nan 0.000 0.571 60 D N 1.297 121.686 120.400 -0.018 0.000 2.417 60 D HA 0.019 4.659 4.640 -0.000 0.000 0.250 60 D C -1.654 174.663 176.300 0.029 0.000 1.166 60 D CA -1.737 52.283 54.000 0.033 0.000 0.881 60 D CB 1.287 42.125 40.800 0.064 0.000 1.164 60 D HN 0.134 nan 8.370 nan 0.000 0.467 61 P HA -0.120 nan 4.420 nan 0.000 0.217 61 P C 1.115 178.441 177.300 0.044 0.000 1.148 61 P CA 1.138 64.277 63.100 0.065 0.000 0.828 61 P CB 0.204 31.958 31.700 0.090 0.000 0.783 62 R N -0.681 119.868 120.500 0.082 0.000 2.193 62 R HA -0.115 4.225 4.340 -0.000 0.000 0.229 62 R C 1.375 177.739 176.300 0.107 0.000 1.110 62 R CA 1.189 57.343 56.100 0.089 0.000 0.988 62 R CB -0.619 29.788 30.300 0.178 0.000 0.871 62 R HN 0.233 nan 8.270 nan 0.000 0.458 63 D N 0.203 120.674 120.400 0.118 0.000 2.323 63 D HA 0.018 4.658 4.640 -0.000 0.000 0.209 63 D C 1.667 178.063 176.300 0.159 0.000 0.973 63 D CA 0.754 54.886 54.000 0.220 0.000 0.874 63 D CB 0.018 40.938 40.800 0.199 0.000 0.930 63 D HN 0.192 nan 8.370 nan 0.000 0.521 64 A N 1.430 124.219 122.820 -0.052 0.000 1.883 64 A HA -0.282 4.038 4.320 -0.000 0.000 0.217 64 A C 2.123 179.620 177.584 -0.144 0.000 1.186 64 A CA 2.065 53.958 52.037 -0.240 0.000 0.624 64 A CB -0.820 17.941 19.000 -0.400 0.000 0.822 64 A HN 0.408 nan 8.150 nan 0.000 0.444 65 Q N -1.612 118.089 119.800 -0.165 0.000 2.291 65 Q HA -0.204 4.136 4.340 -0.000 0.000 0.206 65 Q C 1.627 177.489 176.000 -0.229 0.000 0.976 65 Q CA 1.645 57.322 55.803 -0.210 0.000 0.875 65 Q CB -0.524 28.009 28.738 -0.342 0.000 0.927 65 Q HN 0.767 nan 8.270 nan 0.000 0.450 66 H N -0.951 118.139 119.070 0.033 0.000 2.482 66 H HA 0.042 4.598 4.556 -0.000 0.000 0.286 66 H C 1.226 176.493 175.328 -0.101 0.000 1.017 66 H CA 0.862 56.889 56.048 -0.036 0.000 1.322 66 H CB 0.016 29.758 29.762 -0.034 0.000 1.426 66 H HN 0.309 nan 8.280 nan 0.000 0.546 67 F N 1.090 120.995 119.950 -0.075 0.000 2.179 67 F HA -0.118 4.409 4.527 0.000 0.000 0.292 67 F C 2.810 178.504 175.800 -0.176 0.000 1.089 67 F CA 1.570 59.492 58.000 -0.130 0.000 1.295 67 F CB -0.470 38.429 39.000 -0.168 0.000 1.041 67 F HN 0.137 nan 8.300 nan 0.000 0.487 68 T N -2.294 112.263 114.554 0.004 0.000 2.915 68 T HA -0.208 4.142 4.350 -0.000 0.000 0.269 68 T C 1.852 176.519 174.700 -0.054 0.000 1.071 68 T CA 1.135 63.192 62.100 -0.073 0.000 1.132 68 T CB -0.520 68.351 68.868 0.005 0.000 0.878 68 T HN 0.320 nan 8.240 nan 0.000 0.479 69 Q N 0.520 120.299 119.800 -0.036 0.000 2.170 69 Q HA -0.071 4.269 4.340 -0.000 0.000 0.203 69 Q C 1.796 177.688 176.000 -0.180 0.000 0.976 69 Q CA 0.997 56.770 55.803 -0.049 0.000 0.858 69 Q CB -0.024 28.655 28.738 -0.098 0.000 0.907 69 Q HN 0.328 nan 8.270 nan 0.000 0.433 70 R N -0.403 119.946 120.500 -0.252 0.000 2.328 70 R HA 0.076 4.416 4.340 -0.000 0.000 0.200 70 R C 1.478 177.744 176.300 -0.058 0.000 0.983 70 R CA 0.637 56.641 56.100 -0.160 0.000 1.062 70 R CB -0.473 29.727 30.300 -0.167 0.000 0.956 70 R HN 0.266 nan 8.270 nan 0.000 0.479 71 A N -0.819 121.914 122.820 -0.146 0.000 1.972 71 A HA -0.077 4.243 4.320 -0.000 0.000 0.219 71 A C 0.771 178.344 177.584 -0.019 0.000 1.169 71 A CA 1.030 52.950 52.037 -0.195 0.000 0.635 71 A CB 0.022 18.619 19.000 -0.672 0.000 0.810 71 A HN 0.388 nan 8.150 nan 0.000 0.446 72 C N -3.020 116.341 119.300 0.103 0.000 2.931 72 C HA 0.578 5.038 4.460 -0.000 0.000 0.370 72 C C 1.199 176.374 174.990 0.308 0.000 1.071 72 C CA -0.224 58.920 59.018 0.210 0.000 1.266 72 C CB 0.984 28.877 27.740 0.255 0.000 1.691 72 C HN 0.509 nan 8.230 nan 0.000 0.511 73 G N 2.724 111.633 108.800 0.182 0.000 3.088 73 G HA2 0.240 4.200 3.960 -0.000 0.000 0.217 73 G HA3 0.240 4.200 3.960 -0.000 0.000 0.217 73 G C 0.854 175.754 174.900 0.001 0.000 1.159 73 G CA 0.902 45.989 45.100 -0.021 0.000 0.760 73 G HN 0.693 nan 8.290 nan 0.000 0.550 74 V N 0.904 120.873 119.914 0.093 0.000 2.436 74 V HA -0.042 4.078 4.120 -0.000 0.000 0.240 74 V C 2.151 178.338 176.094 0.154 0.000 1.040 74 V CA 1.230 63.602 62.300 0.120 0.000 1.052 74 V CB -0.353 31.549 31.823 0.132 0.000 0.707 74 V HN 0.557 nan 8.190 nan 0.000 0.469 75 C N 1.290 120.696 119.300 0.177 0.000 3.089 75 C HA 0.438 4.898 4.460 -0.000 0.000 0.548 75 C C 1.133 176.262 174.990 0.232 0.000 1.205 75 C CA -1.005 58.125 59.018 0.186 0.000 1.398 75 C CB -2.367 25.471 27.740 0.163 0.000 1.764 75 C HN 0.418 nan 8.230 nan 0.000 0.638 76 T N -0.115 114.567 114.554 0.213 0.000 2.791 76 T HA 0.174 4.524 4.350 -0.000 0.000 0.323 76 T C 0.549 175.468 174.700 0.365 0.000 1.082 76 T CA 1.686 63.959 62.100 0.287 0.000 1.084 76 T CB 0.137 69.089 68.868 0.139 0.000 0.992 76 T HN 1.369 nan 8.240 nan 0.000 0.547 77 Y N 1.109 121.549 120.300 0.233 0.000 2.786 77 Y HA -0.378 4.172 4.550 0.000 0.000 0.482 77 Y C 1.598 177.562 175.900 0.108 0.000 1.231 77 Y CA 3.195 61.400 58.100 0.176 0.000 2.675 77 Y CB -2.094 36.462 38.460 0.162 0.000 0.944 77 Y HN 0.507 nan 8.280 nan 0.000 0.535 78 V N -0.988 118.838 119.914 -0.147 0.000 2.515 78 V HA -0.180 3.940 4.120 -0.000 0.000 0.250 78 V C 2.226 178.046 176.094 -0.456 0.000 1.058 78 V CA 2.469 64.527 62.300 -0.403 0.000 1.064 78 V CB -0.886 30.808 31.823 -0.214 0.000 0.675 78 V HN 0.673 nan 8.190 nan 0.000 0.461 79 H N 1.019 120.007 119.070 -0.136 0.000 2.395 79 H HA 0.132 4.688 4.556 -0.000 0.000 0.299 79 H C 2.558 177.801 175.328 -0.142 0.000 1.070 79 H CA 1.722 57.730 56.048 -0.067 0.000 1.356 79 H CB -0.237 29.625 29.762 0.165 0.000 1.401 79 H HN 0.592 nan 8.280 nan 0.000 0.524 80 A N 1.509 124.293 122.820 -0.060 0.000 1.883 80 A HA -0.152 4.168 4.320 -0.000 0.000 0.217 80 A C 2.496 179.900 177.584 -0.299 0.000 1.186 80 A CA 1.359 53.306 52.037 -0.150 0.000 0.624 80 A CB -0.782 18.169 19.000 -0.080 0.000 0.822 80 A HN 0.272 nan 8.150 nan 0.000 0.444 81 L N -0.090 120.818 121.223 -0.525 0.000 1.989 81 L HA -0.108 4.232 4.340 -0.000 0.000 0.211 81 L C 2.707 179.300 176.870 -0.462 0.000 1.071 81 L CA 2.476 56.981 54.840 -0.558 0.000 0.749 81 L CB -1.071 40.487 42.059 -0.835 0.000 0.890 81 L HN 0.356 nan 8.230 nan 0.000 0.431 82 A N -1.527 120.959 122.820 -0.557 0.000 1.908 82 A HA -0.218 4.102 4.320 -0.000 0.000 0.218 82 A C 2.400 179.658 177.584 -0.543 0.000 1.181 82 A CA 2.187 53.803 52.037 -0.702 0.000 0.627 82 A CB -1.051 17.238 19.000 -1.185 0.000 0.818 82 A HN 0.559 nan 8.150 nan 0.000 0.445 83 S N -0.112 115.419 115.700 -0.282 0.000 2.402 83 S HA -0.077 4.393 4.470 -0.000 0.000 0.229 83 S C 2.243 176.809 174.600 -0.055 0.000 1.021 83 S CA 1.263 59.548 58.200 0.142 0.000 0.974 83 S CB -0.208 63.168 63.200 0.294 0.000 0.800 83 S HN 0.655 nan 8.310 nan 0.000 0.484 84 S N 1.445 117.032 115.700 -0.189 0.000 2.371 84 S HA 0.016 4.486 4.470 -0.000 0.000 0.224 84 S C 1.895 176.352 174.600 -0.239 0.000 1.029 84 S CA 0.732 58.796 58.200 -0.226 0.000 0.978 84 S CB -0.134 62.906 63.200 -0.266 0.000 0.833 84 S HN 0.426 nan 8.310 nan 0.000 0.466 85 R N 0.205 120.544 120.500 -0.267 0.000 2.096 85 R HA -0.077 4.263 4.340 -0.000 0.000 0.235 85 R C 2.699 178.847 176.300 -0.253 0.000 1.127 85 R CA 1.313 57.247 56.100 -0.275 0.000 0.968 85 R CB -0.759 29.335 30.300 -0.343 0.000 0.861 85 R HN 0.497 nan 8.270 nan 0.000 0.440 86 C N 0.075 119.231 119.300 -0.240 0.000 2.436 86 C HA -0.046 4.414 4.460 -0.000 0.000 0.277 86 C C 2.528 177.431 174.990 -0.145 0.000 1.241 86 C CA 0.667 59.559 59.018 -0.210 0.000 1.721 86 C CB -0.673 26.964 27.740 -0.173 0.000 2.043 86 C HN 0.284 nan 8.230 nan 0.000 0.472 87 V N 1.339 121.182 119.914 -0.117 0.000 2.548 87 V HA -0.103 4.017 4.120 -0.000 0.000 0.249 87 V C 2.252 178.213 176.094 -0.222 0.000 1.055 87 V CA 2.298 64.520 62.300 -0.130 0.000 1.065 87 V CB -0.732 31.017 31.823 -0.124 0.000 0.681 87 V HN 0.523 nan 8.190 nan 0.000 0.462 88 D N 0.225 120.473 120.400 -0.254 0.000 2.123 88 D HA -0.207 4.433 4.640 -0.000 0.000 0.196 88 D C 1.915 178.114 176.300 -0.169 0.000 0.992 88 D CA 1.818 55.664 54.000 -0.256 0.000 0.833 88 D CB -0.247 40.411 40.800 -0.236 0.000 0.954 88 D HN 0.521 nan 8.370 nan 0.000 0.455 89 D N 0.092 120.403 120.400 -0.148 0.000 2.183 89 D HA -0.025 4.615 4.640 -0.000 0.000 0.203 89 D C 1.918 178.179 176.300 -0.065 0.000 0.969 89 D CA 1.269 55.207 54.000 -0.103 0.000 0.842 89 D CB -0.026 40.704 40.800 -0.117 0.000 0.957 89 D HN 0.074 nan 8.370 nan 0.000 0.484 90 A N 0.154 122.934 122.820 -0.068 0.000 1.902 90 A HA -0.092 4.228 4.320 -0.000 0.000 0.217 90 A C 2.225 179.802 177.584 -0.012 0.000 1.181 90 A CA 1.885 53.904 52.037 -0.030 0.000 0.623 90 A CB -0.803 18.186 19.000 -0.018 0.000 0.818 90 A HN 0.408 nan 8.150 nan 0.000 0.443 91 V N -4.784 115.112 119.914 -0.030 0.000 3.633 91 V HA 0.227 4.347 4.120 -0.000 0.000 0.283 91 V C 0.164 176.288 176.094 0.051 0.000 1.305 91 V CA 0.177 62.505 62.300 0.047 0.000 1.153 91 V CB -0.742 31.137 31.823 0.093 0.000 0.950 91 V HN 0.357 nan 8.190 nan 0.000 0.432 92 K N -0.049 120.353 120.400 0.003 0.000 3.148 92 K HA -0.154 4.166 4.320 -0.000 0.000 0.267 92 K C -0.297 176.315 176.600 0.019 0.000 0.996 92 K CA 1.061 57.351 56.287 0.006 0.000 0.737 92 K CB -2.025 30.487 32.500 0.021 0.000 1.308 92 K HN 0.666 nan 8.250 nan 0.000 0.470 93 V N 0.261 120.170 119.914 -0.009 0.000 2.483 93 V HA 0.440 4.560 4.120 -0.000 0.000 0.295 93 V C -0.071 176.007 176.094 -0.027 0.000 1.035 93 V CA -0.498 61.808 62.300 0.009 0.000 0.896 93 V CB 1.995 33.830 31.823 0.019 0.000 0.986 93 V HN 0.406 nan 8.190 nan 0.000 0.447 94 S N 7.092 122.789 115.700 -0.004 0.000 2.422 94 S HA 0.495 4.965 4.470 -0.000 0.000 0.298 94 S C -0.115 174.475 174.600 -0.016 0.000 1.118 94 S CA -0.818 57.371 58.200 -0.017 0.000 1.083 94 S CB 0.197 63.396 63.200 -0.002 0.000 0.971 94 S HN 0.786 nan 8.310 nan 0.000 0.478 95 I N 3.203 123.749 120.570 -0.040 0.000 2.779 95 I HA 0.490 4.660 4.170 -0.000 0.000 0.285 95 I C -2.415 173.693 176.117 -0.015 0.000 1.134 95 I CA -2.018 59.260 61.300 -0.036 0.000 1.398 95 I CB -0.067 37.892 38.000 -0.069 0.000 1.404 95 I HN 0.335 nan 8.210 nan 0.000 0.587 96 P HA 0.119 nan 4.420 nan 0.000 0.270 96 P C 0.345 177.647 177.300 0.003 0.000 1.223 96 P CA -0.165 62.941 63.100 0.011 0.000 0.785 96 P CB 0.869 32.584 31.700 0.025 0.000 0.923 97 A N 2.033 124.859 122.820 0.011 0.000 1.908 97 A HA -0.248 4.072 4.320 -0.000 0.000 0.218 97 A C 1.916 179.503 177.584 0.004 0.000 1.181 97 A CA 1.833 53.875 52.037 0.008 0.000 0.627 97 A CB -1.221 17.789 19.000 0.017 0.000 0.818 97 A HN 0.531 nan 8.150 nan 0.000 0.445 98 N N 0.216 118.922 118.700 0.010 0.000 2.223 98 N HA -0.080 4.660 4.740 -0.000 0.000 0.185 98 N C 1.838 177.344 175.510 -0.006 0.000 1.016 98 N CA 1.463 54.518 53.050 0.007 0.000 0.863 98 N CB -0.492 38.007 38.487 0.019 0.000 0.983 98 N HN 0.497 nan 8.380 nan 0.000 0.429 99 A N 1.215 124.026 122.820 -0.015 0.000 1.897 99 A HA -0.094 4.226 4.320 -0.000 0.000 0.215 99 A C 2.251 179.824 177.584 -0.018 0.000 1.181 99 A CA 1.077 53.100 52.037 -0.024 0.000 0.620 99 A CB -0.433 18.537 19.000 -0.050 0.000 0.821 99 A HN 0.238 nan 8.150 nan 0.000 0.443 100 R N -0.668 119.816 120.500 -0.027 0.000 2.091 100 R HA -0.142 4.198 4.340 -0.000 0.000 0.238 100 R C 2.084 178.360 176.300 -0.039 0.000 1.136 100 R CA 2.047 58.126 56.100 -0.035 0.000 0.959 100 R CB -0.350 29.930 30.300 -0.033 0.000 0.856 100 R HN 0.537 nan 8.270 nan 0.000 0.437 101 M N -0.082 119.499 119.600 -0.032 0.000 2.117 101 M HA -0.171 4.309 4.480 -0.000 0.000 0.262 101 M C 2.526 178.803 176.300 -0.040 0.000 1.065 101 M CA 1.770 57.043 55.300 -0.045 0.000 1.114 101 M CB -0.185 32.405 32.600 -0.016 0.000 1.361 101 M HN 0.285 nan 8.290 nan 0.000 0.408 102 M N -0.162 119.432 119.600 -0.010 0.000 2.156 102 M HA -0.166 4.314 4.480 -0.000 0.000 0.264 102 M C 2.155 178.502 176.300 0.079 0.000 1.067 102 M CA 1.702 57.001 55.300 -0.001 0.000 1.131 102 M CB -0.051 32.574 32.600 0.041 0.000 1.368 102 M HN 0.090 nan 8.290 nan 0.000 0.416 103 R N 0.121 120.704 120.500 0.139 0.000 2.081 103 R HA -0.132 4.208 4.340 -0.000 0.000 0.235 103 R C 1.741 178.129 176.300 0.145 0.000 1.131 103 R CA 1.791 58.027 56.100 0.226 0.000 0.960 103 R CB -0.499 29.868 30.300 0.113 0.000 0.856 103 R HN 0.451 nan 8.270 nan 0.000 0.436 104 N N 0.554 119.258 118.700 0.007 0.000 2.244 104 N HA -0.099 4.641 4.740 -0.000 0.000 0.183 104 N C 1.744 177.237 175.510 -0.030 0.000 1.016 104 N CA 0.934 53.947 53.050 -0.062 0.000 0.866 104 N CB -0.117 38.258 38.487 -0.187 0.000 0.980 104 N HN 0.186 nan 8.380 nan 0.000 0.430 105 L N 0.054 121.252 121.223 -0.042 0.000 2.056 105 L HA -0.073 4.267 4.340 -0.000 0.000 0.207 105 L C 1.982 178.890 176.870 0.064 0.000 1.078 105 L CA 0.636 55.496 54.840 0.034 0.000 0.749 105 L CB -0.214 41.866 42.059 0.035 0.000 0.901 105 L HN -0.016 nan 8.230 nan 0.000 0.433 106 V N -0.602 119.269 119.914 -0.072 0.000 2.427 106 V HA -0.317 3.803 4.120 -0.000 0.000 0.248 106 V C 2.406 178.456 176.094 -0.074 0.000 1.051 106 V CA 1.700 63.853 62.300 -0.245 0.000 1.048 106 V CB -0.398 31.012 31.823 -0.688 0.000 0.666 106 V HN 0.432 nan 8.190 nan 0.000 0.456 107 M N 1.187 120.887 119.600 0.166 0.000 2.108 107 M HA -0.106 4.374 4.480 -0.000 0.000 0.261 107 M C 2.018 178.508 176.300 0.315 0.000 1.066 107 M CA 2.231 57.731 55.300 0.334 0.000 1.107 107 M CB -0.763 31.939 32.600 0.169 0.000 1.356 107 M HN 0.253 nan 8.290 nan 0.000 0.406 108 A N -1.376 121.611 122.820 0.278 0.000 1.898 108 A HA -0.097 4.223 4.320 -0.000 0.000 0.216 108 A C 2.244 179.969 177.584 0.234 0.000 1.181 108 A CA 2.014 54.182 52.037 0.218 0.000 0.620 108 A CB -1.086 17.991 19.000 0.129 0.000 0.819 108 A HN 0.568 nan 8.150 nan 0.000 0.442 109 S N -0.623 115.201 115.700 0.206 0.000 2.419 109 S HA -0.176 4.294 4.470 -0.000 0.000 0.233 109 S C 2.077 176.797 174.600 0.201 0.000 1.016 109 S CA 1.619 59.924 58.200 0.175 0.000 0.974 109 S CB -0.184 63.112 63.200 0.160 0.000 0.786 109 S HN 0.697 nan 8.310 nan 0.000 0.492 110 Q N 0.235 120.180 119.800 0.242 0.000 2.096 110 Q HA -0.008 4.332 4.340 -0.000 0.000 0.197 110 Q C 1.528 177.694 176.000 0.277 0.000 0.964 110 Q CA 1.385 57.344 55.803 0.261 0.000 0.838 110 Q CB -0.596 28.328 28.738 0.310 0.000 0.906 110 Q HN 0.504 nan 8.270 nan 0.000 0.444 111 Y N 0.467 120.820 120.300 0.087 0.000 2.114 111 Y HA -0.256 4.294 4.550 -0.000 0.000 0.282 111 Y C 1.998 177.860 175.900 -0.064 0.000 1.165 111 Y CA 1.630 59.682 58.100 -0.080 0.000 1.148 111 Y CB -0.417 38.099 38.460 0.093 0.000 0.972 111 Y HN 0.128 nan 8.280 nan 0.000 0.504 112 L N -1.490 119.892 121.223 0.265 0.000 2.005 112 L HA -0.262 4.078 4.340 -0.000 0.000 0.207 112 L C 2.616 179.611 176.870 0.208 0.000 1.072 112 L CA 1.831 56.812 54.840 0.235 0.000 0.744 112 L CB -0.872 41.305 42.059 0.196 0.000 0.895 112 L HN 0.352 nan 8.230 nan 0.000 0.433 113 H N -0.126 119.016 119.070 0.120 0.000 2.387 113 H HA -0.207 4.349 4.556 -0.000 0.000 0.299 113 H C 1.772 177.171 175.328 0.118 0.000 1.090 113 H CA 1.934 58.044 56.048 0.102 0.000 1.332 113 H CB 0.191 29.999 29.762 0.077 0.000 1.386 113 H HN 0.330 nan 8.280 nan 0.000 0.516 114 D N -0.397 120.111 120.400 0.181 0.000 2.120 114 D HA -0.119 4.521 4.640 -0.000 0.000 0.202 114 D C 2.043 178.471 176.300 0.214 0.000 0.972 114 D CA 0.680 54.781 54.000 0.167 0.000 0.837 114 D CB -0.088 40.771 40.800 0.097 0.000 0.989 114 D HN 0.423 nan 8.370 nan 0.000 0.469 115 H N 0.598 119.750 119.070 0.136 0.000 2.353 115 H HA -0.021 4.535 4.556 -0.000 0.000 0.300 115 H C 2.352 177.722 175.328 0.070 0.000 1.090 115 H CA 0.492 56.637 56.048 0.161 0.000 1.327 115 H CB -0.590 29.318 29.762 0.243 0.000 1.383 115 H HN 0.180 nan 8.280 nan 0.000 0.508 116 L N -0.326 120.986 121.223 0.148 0.000 1.989 116 L HA -0.176 4.164 4.340 -0.000 0.000 0.211 116 L C 2.484 179.355 176.870 0.001 0.000 1.071 116 L CA 1.033 55.876 54.840 0.005 0.000 0.749 116 L CB -0.381 41.719 42.059 0.070 0.000 0.890 116 L HN 0.109 nan 8.230 nan 0.000 0.431 117 V N -0.968 118.943 119.914 -0.004 0.000 2.407 117 V HA -0.331 3.789 4.120 -0.000 0.000 0.248 117 V C 2.436 178.574 176.094 0.074 0.000 1.055 117 V CA 1.874 64.217 62.300 0.070 0.000 1.049 117 V CB -0.916 30.910 31.823 0.005 0.000 0.662 117 V HN 0.553 nan 8.190 nan 0.000 0.455 118 H N -0.742 118.355 119.070 0.044 0.000 2.321 118 H HA -0.215 4.341 4.556 -0.000 0.000 0.300 118 H C 2.295 177.635 175.328 0.020 0.000 1.087 118 H CA 2.363 58.442 56.048 0.052 0.000 1.319 118 H CB -0.111 29.713 29.762 0.103 0.000 1.379 118 H HN 0.426 nan 8.280 nan 0.000 0.501 119 F N 0.718 120.535 119.950 -0.221 0.000 2.075 119 F HA -0.214 4.313 4.527 -0.000 0.000 0.297 119 F C 1.976 177.507 175.800 -0.448 0.000 1.113 119 F CA 1.582 59.359 58.000 -0.371 0.000 1.218 119 F CB -0.817 37.788 39.000 -0.659 0.000 0.984 119 F HN 0.095 nan 8.300 nan 0.000 0.472 120 Y N -0.773 119.295 120.300 -0.387 0.000 2.176 120 Y HA -0.147 4.403 4.550 -0.000 0.000 0.291 120 Y C 2.525 178.143 175.900 -0.469 0.000 1.122 120 Y CA 2.149 59.930 58.100 -0.530 0.000 1.128 120 Y CB -0.634 37.395 38.460 -0.720 0.000 1.005 120 Y HN 0.135 nan 8.280 nan 0.000 0.509 121 H N -1.534 117.476 119.070 -0.100 0.000 2.547 121 H HA 0.130 4.686 4.556 -0.000 0.000 0.272 121 H C 1.599 176.878 175.328 -0.082 0.000 0.971 121 H CA 0.704 56.657 56.048 -0.159 0.000 1.245 121 H CB 0.262 29.873 29.762 -0.251 0.000 1.440 121 H HN 0.214 nan 8.280 nan 0.000 0.540 122 L N -1.265 119.895 121.223 -0.105 0.000 2.362 122 L HA 0.080 4.420 4.340 -0.000 0.000 0.204 122 L C 2.066 178.696 176.870 -0.400 0.000 1.060 122 L CA 0.749 55.438 54.840 -0.252 0.000 0.827 122 L CB -0.183 41.734 42.059 -0.236 0.000 1.027 122 L HN 0.344 nan 8.230 nan 0.000 0.474 123 H N -0.032 118.690 119.070 -0.580 0.000 2.451 123 H HA 0.104 4.660 4.556 -0.000 0.000 0.294 123 H C 2.284 177.474 175.328 -0.229 0.000 1.028 123 H CA 0.708 56.490 56.048 -0.445 0.000 1.349 123 H CB 0.593 30.098 29.762 -0.428 0.000 1.444 123 H HN 0.264 nan 8.280 nan 0.000 0.538 124 A N 1.135 123.800 122.820 -0.258 0.000 1.940 124 A HA -0.148 4.172 4.320 -0.000 0.000 0.219 124 A C 2.227 179.801 177.584 -0.017 0.000 1.176 124 A CA 1.043 52.925 52.037 -0.259 0.000 0.631 124 A CB -0.814 17.981 19.000 -0.341 0.000 0.814 124 A HN 0.413 nan 8.150 nan 0.000 0.446 125 L N -0.239 121.020 121.223 0.059 0.000 2.549 125 L HA -0.151 4.189 4.340 -0.000 0.000 0.230 125 L C 1.223 178.204 176.870 0.184 0.000 1.162 125 L CA 0.713 55.662 54.840 0.182 0.000 0.834 125 L CB -0.485 41.748 42.059 0.291 0.000 0.947 125 L HN 0.324 nan 8.230 nan 0.000 0.452 126 D N -1.078 119.258 120.400 -0.106 0.000 2.277 126 D HA -0.123 4.516 4.640 -0.000 0.000 0.208 126 D C 1.587 177.371 176.300 -0.860 0.000 0.962 126 D CA 1.120 54.848 54.000 -0.454 0.000 0.865 126 D CB 0.077 40.397 40.800 -0.801 0.000 0.939 126 D HN 0.433 nan 8.370 nan 0.000 0.510 127 W N 0.005 121.075 121.300 -0.384 0.000 2.904 127 W HA 0.216 4.876 4.660 -0.000 0.000 0.265 127 W C 0.256 176.717 176.519 -0.096 0.000 1.138 127 W CA -0.169 56.852 57.345 -0.540 0.000 1.455 127 W CB 0.518 29.612 29.460 -0.609 0.000 0.924 127 W HN -0.370 nan 8.180 nan 0.000 0.619 128 V N 2.433 122.476 119.914 0.215 0.000 2.394 128 V HA 0.141 4.261 4.120 -0.000 0.000 0.282 128 V C -0.543 175.474 176.094 -0.128 0.000 1.031 128 V CA -0.520 61.829 62.300 0.082 0.000 0.881 128 V CB 1.261 33.060 31.823 -0.038 0.000 0.982 128 V HN -0.142 nan 8.190 nan 0.000 0.451 129 D N 4.502 124.748 120.400 -0.256 0.000 2.441 129 D HA 0.174 4.814 4.640 -0.000 0.000 0.221 129 D C 0.878 176.642 176.300 -0.892 0.000 1.156 129 D CA -0.106 53.390 54.000 -0.841 0.000 0.896 129 D CB 1.580 42.128 40.800 -0.420 0.000 1.028 129 D HN 0.221 nan 8.370 nan 0.000 0.509 130 V N 3.347 122.443 119.914 -1.364 0.000 2.490 130 V HA -0.248 3.872 4.120 -0.000 0.000 0.250 130 V C 2.556 178.322 176.094 -0.546 0.000 1.061 130 V CA 2.418 64.218 62.300 -0.834 0.000 1.064 130 V CB -0.787 30.461 31.823 -0.959 0.000 0.670 130 V HN 0.755 nan 8.190 nan 0.000 0.461 131 T N -1.539 112.730 114.554 -0.474 0.000 2.904 131 T HA -0.041 4.309 4.350 -0.000 0.000 0.267 131 T C 1.909 176.511 174.700 -0.164 0.000 1.059 131 T CA 1.175 63.158 62.100 -0.195 0.000 1.137 131 T CB -0.360 68.495 68.868 -0.021 0.000 0.879 131 T HN 0.440 nan 8.240 nan 0.000 0.467 132 A N 1.764 124.463 122.820 -0.201 0.000 2.019 132 A HA 0.363 4.683 4.320 -0.000 0.000 0.219 132 A C 2.738 180.242 177.584 -0.132 0.000 1.164 132 A CA 1.536 53.492 52.037 -0.135 0.000 0.644 132 A CB -1.276 17.649 19.000 -0.125 0.000 0.805 132 A HN 0.767 nan 8.150 nan 0.000 0.449 133 A N -0.340 122.374 122.820 -0.177 0.000 2.076 133 A HA -0.022 4.298 4.320 -0.000 0.000 0.220 133 A C 1.979 179.499 177.584 -0.106 0.000 1.160 133 A CA 1.288 53.237 52.037 -0.147 0.000 0.653 133 A CB -0.535 18.356 19.000 -0.182 0.000 0.801 133 A HN 0.504 nan 8.150 nan 0.000 0.455 134 L N -0.968 120.196 121.223 -0.097 0.000 2.291 134 L HA -0.107 4.233 4.340 -0.000 0.000 0.214 134 L C 2.081 178.922 176.870 -0.047 0.000 1.120 134 L CA 0.997 55.799 54.840 -0.063 0.000 0.799 134 L CB -0.190 41.840 42.059 -0.049 0.000 0.925 134 L HN 0.335 nan 8.230 nan 0.000 0.446 135 K N 0.164 120.533 120.400 -0.052 0.000 2.400 135 K HA 0.179 4.498 4.320 -0.000 0.000 0.194 135 K C 0.833 177.411 176.600 -0.037 0.000 1.033 135 K CA 0.097 56.361 56.287 -0.039 0.000 1.021 135 K CB 0.221 32.699 32.500 -0.037 0.000 0.808 135 K HN 0.154 nan 8.250 nan 0.000 0.505 136 A N 2.298 125.090 122.820 -0.047 0.000 2.407 136 A HA 0.016 4.336 4.320 -0.000 0.000 0.248 136 A C -0.233 177.332 177.584 -0.031 0.000 1.082 136 A CA -0.297 51.715 52.037 -0.042 0.000 0.785 136 A CB 0.263 19.231 19.000 -0.053 0.000 1.020 136 A HN 0.084 nan 8.150 nan 0.000 0.489 137 D N 2.457 122.843 120.400 -0.024 0.000 2.336 137 D HA 0.275 4.915 4.640 -0.000 0.000 0.249 137 D C -1.704 174.585 176.300 -0.018 0.000 1.213 137 D CA -1.881 52.109 54.000 -0.018 0.000 0.870 137 D CB 1.138 41.931 40.800 -0.012 0.000 1.076 137 D HN 0.108 nan 8.370 nan 0.000 0.483 138 P HA -0.111 nan 4.420 nan 0.000 0.218 138 P C 0.996 178.289 177.300 -0.012 0.000 1.148 138 P CA 0.780 63.869 63.100 -0.018 0.000 0.822 138 P CB 0.355 32.046 31.700 -0.016 0.000 0.784 139 N N -0.364 118.331 118.700 -0.008 0.000 2.188 139 N HA -0.147 4.593 4.740 -0.000 0.000 0.184 139 N C 1.671 177.179 175.510 -0.003 0.000 1.018 139 N CA 1.154 54.202 53.050 -0.004 0.000 0.858 139 N CB -0.381 38.104 38.487 -0.003 0.000 0.989 139 N HN 0.233 nan 8.380 nan 0.000 0.426 140 K N 1.102 121.499 120.400 -0.005 0.000 2.062 140 K HA 0.058 4.378 4.320 -0.000 0.000 0.205 140 K C 1.954 178.553 176.600 -0.001 0.000 1.051 140 K CA 1.133 57.419 56.287 -0.002 0.000 0.941 140 K CB -0.099 32.400 32.500 -0.003 0.000 0.719 140 K HN 0.051 nan 8.250 nan 0.000 0.440 141 A N 0.923 123.738 122.820 -0.008 0.000 1.933 141 A HA -0.051 4.269 4.320 -0.000 0.000 0.218 141 A C 2.357 179.939 177.584 -0.003 0.000 1.175 141 A CA 1.742 53.773 52.037 -0.011 0.000 0.628 141 A CB -0.927 18.057 19.000 -0.027 0.000 0.814 141 A HN 0.476 nan 8.150 nan 0.000 0.444 142 A N -0.157 122.661 122.820 -0.003 0.000 1.902 142 A HA -0.172 4.148 4.320 -0.000 0.000 0.217 142 A C 2.133 179.722 177.584 0.009 0.000 1.181 142 A CA 1.841 53.881 52.037 0.004 0.000 0.623 142 A CB -0.403 18.599 19.000 0.003 0.000 0.818 142 A HN 0.541 nan 8.150 nan 0.000 0.443 143 K N -1.004 119.400 120.400 0.007 0.000 2.057 143 K HA -0.068 4.252 4.320 -0.000 0.000 0.206 143 K C 1.943 178.551 176.600 0.012 0.000 1.050 143 K CA 1.246 57.537 56.287 0.008 0.000 0.935 143 K CB -0.374 32.129 32.500 0.006 0.000 0.715 143 K HN 0.382 nan 8.250 nan 0.000 0.439 144 L N 1.393 122.625 121.223 0.016 0.000 2.042 144 L HA -0.166 4.174 4.340 -0.000 0.000 0.210 144 L C 2.186 179.073 176.870 0.028 0.000 1.076 144 L CA 1.885 56.740 54.840 0.025 0.000 0.749 144 L CB -0.700 41.379 42.059 0.033 0.000 0.893 144 L HN 0.129 nan 8.230 nan 0.000 0.432 145 A N -0.612 122.224 122.820 0.027 0.000 1.978 145 A HA -0.083 4.237 4.320 -0.000 0.000 0.220 145 A C 2.358 179.960 177.584 0.030 0.000 1.170 145 A CA 1.668 53.729 52.037 0.039 0.000 0.636 145 A CB -1.053 17.973 19.000 0.042 0.000 0.810 145 A HN 0.586 nan 8.150 nan 0.000 0.448 146 A N -0.142 122.689 122.820 0.019 0.000 2.167 146 A HA 0.107 4.427 4.320 -0.000 0.000 0.214 146 A C 2.286 179.872 177.584 0.003 0.000 1.151 146 A CA 1.654 53.697 52.037 0.010 0.000 0.735 146 A CB -0.540 18.463 19.000 0.006 0.000 0.802 146 A HN 0.900 nan 8.150 nan 0.000 0.467 147 S N -0.034 115.670 115.700 0.006 0.000 2.486 147 S HA 0.063 4.533 4.470 -0.000 0.000 0.220 147 S C 1.290 175.887 174.600 -0.005 0.000 1.011 147 S CA 0.724 58.924 58.200 -0.000 0.000 0.921 147 S CB -0.515 62.687 63.200 0.003 0.000 0.785 147 S HN 0.812 nan 8.310 nan 0.000 0.517 148 I N -1.503 119.070 120.570 0.004 0.000 4.009 148 I HA 0.794 4.964 4.170 -0.000 0.000 0.331 148 I C 0.094 176.206 176.117 -0.009 0.000 1.462 148 I CA -0.610 60.689 61.300 -0.002 0.000 1.117 148 I CB 0.697 38.708 38.000 0.018 0.000 1.091 148 I HN 0.327 nan 8.210 nan 0.000 0.410 149 A N 1.232 124.046 122.820 -0.011 0.000 2.599 149 A HA 0.704 5.024 4.320 -0.000 0.000 0.294 149 A C -2.992 174.576 177.584 -0.026 0.000 1.055 149 A CA -0.968 51.054 52.037 -0.024 0.000 0.683 149 A CB 0.390 19.384 19.000 -0.010 0.000 1.278 149 A HN 0.010 nan 8.150 nan 0.000 0.412 150 P HA 0.393 nan 4.420 nan 0.000 0.268 150 P C 0.286 177.572 177.300 -0.025 0.000 1.208 150 P CA 0.383 63.461 63.100 -0.036 0.000 0.777 150 P CB 0.546 32.217 31.700 -0.048 0.000 0.875 151 A N 3.381 126.191 122.820 -0.017 0.000 2.531 151 A HA 0.330 4.650 4.320 -0.000 0.000 0.236 151 A C 0.745 178.325 177.584 -0.007 0.000 1.062 151 A CA 0.243 52.275 52.037 -0.008 0.000 0.760 151 A CB -0.308 18.688 19.000 -0.007 0.000 0.995 151 A HN 0.766 nan 8.150 nan 0.000 0.501 152 R N 1.430 121.933 120.500 0.005 0.000 2.664 152 R HA 0.398 4.738 4.340 -0.000 0.000 0.260 152 R C -2.983 173.330 176.300 0.022 0.000 1.062 152 R CA -1.314 54.792 56.100 0.010 0.000 0.902 152 R CB 0.446 30.748 30.300 0.004 0.000 1.258 152 R HN 0.331 nan 8.270 nan 0.000 0.465 153 P HA -0.051 nan 4.420 nan 0.000 0.218 153 P C 1.275 178.595 177.300 0.033 0.000 1.149 153 P CA 1.767 64.881 63.100 0.023 0.000 0.817 153 P CB -0.030 31.681 31.700 0.019 0.000 0.785 154 G N -0.675 108.154 108.800 0.048 0.000 2.679 154 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.212 154 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.212 154 G C 1.145 176.098 174.900 0.088 0.000 1.137 154 G CA 0.258 45.399 45.100 0.069 0.000 0.787 154 G HN 0.237 nan 8.290 nan 0.000 0.534 155 N N 0.206 118.953 118.700 0.079 0.000 2.235 155 N HA 0.109 4.849 4.740 -0.000 0.000 0.209 155 N C 0.821 176.352 175.510 0.036 0.000 1.122 155 N CA -0.015 53.081 53.050 0.076 0.000 0.845 155 N CB 0.712 39.255 38.487 0.095 0.000 1.004 155 N HN 0.312 nan 8.380 nan 0.000 0.499 156 S N -0.818 114.898 115.700 0.027 0.000 2.603 156 S HA 0.520 4.990 4.470 -0.000 0.000 0.268 156 S C 1.629 176.233 174.600 0.008 0.000 1.317 156 S CA -0.224 57.985 58.200 0.015 0.000 1.012 156 S CB 1.689 64.897 63.200 0.013 0.000 0.926 156 S HN 0.157 nan 8.310 nan 0.000 0.539 157 A N 2.118 124.940 122.820 0.004 0.000 1.884 157 A HA -0.207 4.113 4.320 -0.000 0.000 0.219 157 A C 2.166 179.749 177.584 -0.001 0.000 1.197 157 A CA 2.192 54.228 52.037 -0.001 0.000 0.637 157 A CB -1.167 17.833 19.000 -0.001 0.000 0.827 157 A HN 0.991 nan 8.150 nan 0.000 0.450 158 K N -0.568 119.833 120.400 0.001 0.000 2.063 158 K HA -0.095 4.225 4.320 -0.000 0.000 0.208 158 K C 2.117 178.717 176.600 0.001 0.000 1.048 158 K CA 1.343 57.631 56.287 0.001 0.000 0.928 158 K CB -0.332 32.170 32.500 0.003 0.000 0.713 158 K HN 0.395 nan 8.250 nan 0.000 0.442 159 A N 1.136 123.958 122.820 0.004 0.000 1.897 159 A HA -0.053 4.267 4.320 -0.000 0.000 0.215 159 A C 2.091 179.673 177.584 -0.003 0.000 1.181 159 A CA 1.023 53.062 52.037 0.004 0.000 0.620 159 A CB -0.470 18.539 19.000 0.015 0.000 0.821 159 A HN 0.299 nan 8.150 nan 0.000 0.443 160 L N -0.675 120.543 121.223 -0.008 0.000 2.093 160 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 160 L C 2.607 179.463 176.870 -0.023 0.000 1.085 160 L CA 1.779 56.605 54.840 -0.024 0.000 0.755 160 L CB -0.473 41.568 42.059 -0.030 0.000 0.904 160 L HN 0.478 nan 8.230 nan 0.000 0.435 161 K N 0.662 121.053 120.400 -0.015 0.000 2.057 161 K HA -0.192 4.128 4.320 -0.000 0.000 0.207 161 K C 2.140 178.735 176.600 -0.008 0.000 1.049 161 K CA 1.402 57.682 56.287 -0.012 0.000 0.931 161 K CB -0.046 32.450 32.500 -0.007 0.000 0.714 161 K HN 0.253 nan 8.250 nan 0.000 0.440 162 A N 0.604 123.421 122.820 -0.006 0.000 1.873 162 A HA -0.098 4.222 4.320 -0.000 0.000 0.215 162 A C 2.235 179.816 177.584 -0.004 0.000 1.186 162 A CA 1.578 53.615 52.037 -0.001 0.000 0.616 162 A CB -0.676 18.324 19.000 0.000 0.000 0.823 162 A HN 0.164 nan 8.150 nan 0.000 0.442 163 V N -0.003 119.904 119.914 -0.012 0.000 2.252 163 V HA -0.374 3.746 4.120 -0.000 0.000 0.249 163 V C 2.729 178.810 176.094 -0.023 0.000 1.056 163 V CA 2.511 64.800 62.300 -0.019 0.000 1.022 163 V CB -0.930 30.875 31.823 -0.031 0.000 0.641 163 V HN 0.755 nan 8.190 nan 0.000 0.445 164 Q N -0.311 119.472 119.800 -0.027 0.000 2.014 164 Q HA -0.297 4.043 4.340 -0.000 0.000 0.207 164 Q C 2.090 178.085 176.000 -0.008 0.000 0.993 164 Q CA 2.426 58.212 55.803 -0.028 0.000 0.850 164 Q CB -0.243 28.478 28.738 -0.028 0.000 0.916 164 Q HN 0.633 nan 8.270 nan 0.000 0.417 165 D N 0.050 120.451 120.400 0.001 0.000 2.133 165 D HA -0.201 4.439 4.640 -0.000 0.000 0.192 165 D C 1.668 177.987 176.300 0.032 0.000 1.001 165 D CA 1.410 55.419 54.000 0.014 0.000 0.844 165 D CB -0.153 40.654 40.800 0.013 0.000 0.944 165 D HN 0.228 nan 8.370 nan 0.000 0.447 166 K N -0.268 120.150 120.400 0.029 0.000 2.097 166 K HA -0.103 4.217 4.320 -0.000 0.000 0.205 166 K C 2.108 178.753 176.600 0.075 0.000 1.050 166 K CA 0.470 56.786 56.287 0.048 0.000 0.938 166 K CB -0.141 32.375 32.500 0.028 0.000 0.718 166 K HN 0.008 nan 8.250 nan 0.000 0.442 167 L N 1.434 122.682 121.223 0.043 0.000 2.072 167 L HA -0.124 4.216 4.340 -0.000 0.000 0.205 167 L C 2.080 179.020 176.870 0.115 0.000 1.079 167 L CA 1.641 56.515 54.840 0.057 0.000 0.752 167 L CB -0.200 41.843 42.059 -0.027 0.000 0.906 167 L HN 0.050 nan 8.230 nan 0.000 0.436 168 K N -0.901 119.538 120.400 0.066 0.000 2.032 168 K HA -0.198 4.122 4.320 -0.000 0.000 0.209 168 K C 2.021 178.670 176.600 0.082 0.000 1.048 168 K CA 1.518 57.840 56.287 0.058 0.000 0.927 168 K CB -0.334 32.184 32.500 0.030 0.000 0.712 168 K HN 0.439 nan 8.250 nan 0.000 0.441 169 A N 0.543 123.420 122.820 0.095 0.000 1.972 169 A HA -0.172 4.148 4.320 -0.000 0.000 0.219 169 A C 1.931 179.595 177.584 0.132 0.000 1.169 169 A CA 1.107 53.200 52.037 0.093 0.000 0.635 169 A CB -0.575 18.478 19.000 0.089 0.000 0.810 169 A HN 0.374 nan 8.150 nan 0.000 0.446 170 F N 0.495 120.466 119.950 0.036 0.000 2.084 170 F HA -0.112 4.415 4.527 -0.000 0.000 0.296 170 F C 2.200 178.034 175.800 0.057 0.000 1.111 170 F CA 1.995 60.029 58.000 0.057 0.000 1.224 170 F CB -0.210 38.843 39.000 0.087 0.000 0.991 170 F HN 0.014 nan 8.300 nan 0.000 0.471 171 V N 0.030 120.043 119.914 0.165 0.000 2.667 171 V HA -0.213 3.907 4.120 -0.000 0.000 0.252 171 V C 1.994 178.075 176.094 -0.022 0.000 1.065 171 V CA 1.915 64.249 62.300 0.057 0.000 1.083 171 V CB -0.613 31.274 31.823 0.107 0.000 0.692 171 V HN 0.345 nan 8.190 nan 0.000 0.468 172 E N 0.367 120.562 120.200 -0.007 0.000 2.371 172 E HA -0.097 4.253 4.350 -0.000 0.000 0.194 172 E C 2.272 178.845 176.600 -0.045 0.000 1.012 172 E CA 0.978 57.368 56.400 -0.017 0.000 0.860 172 E CB -0.024 29.678 29.700 0.003 0.000 0.811 172 E HN 0.733 nan 8.360 nan 0.000 0.502 173 S N -0.532 115.118 115.700 -0.084 0.000 2.447 173 S HA -0.039 4.431 4.470 -0.000 0.000 0.233 173 S C 1.823 176.355 174.600 -0.114 0.000 1.006 173 S CA 0.827 58.966 58.200 -0.103 0.000 0.957 173 S CB -0.096 63.018 63.200 -0.142 0.000 0.773 173 S HN 0.361 nan 8.310 nan 0.000 0.507 174 G N 0.357 109.080 108.800 -0.129 0.000 2.184 174 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.264 174 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.264 174 G C -0.018 174.801 174.900 -0.135 0.000 0.975 174 G CA 0.386 45.423 45.100 -0.104 0.000 0.642 174 G HN 0.624 nan 8.290 nan 0.000 0.536 175 Q N -0.110 119.554 119.800 -0.226 0.000 2.509 175 Q HA 0.580 4.920 4.340 -0.000 0.000 0.230 175 Q C 1.425 177.172 176.000 -0.421 0.000 1.089 175 Q CA -0.498 55.161 55.803 -0.239 0.000 0.901 175 Q CB 0.557 29.175 28.738 -0.201 0.000 1.208 175 Q HN 0.456 nan 8.270 nan 0.000 0.529 176 L N 1.112 122.210 121.223 -0.208 0.000 2.599 176 L HA 0.049 4.389 4.340 -0.000 0.000 0.230 176 L C 1.402 178.382 176.870 0.184 0.000 1.141 176 L CA 0.360 55.169 54.840 -0.051 0.000 0.877 176 L CB -0.565 41.560 42.059 0.110 0.000 1.009 176 L HN 0.888 nan 8.230 nan 0.000 0.447 177 G N 2.456 111.299 108.800 0.071 0.000 2.684 177 G HA2 -0.444 3.516 3.960 -0.000 0.000 0.332 177 G HA3 -0.444 3.516 3.960 -0.000 0.000 0.332 177 G C 0.906 175.848 174.900 0.071 0.000 1.306 177 G CA 0.880 46.060 45.100 0.134 0.000 1.002 177 G HN 0.508 nan 8.290 nan 0.000 0.545 178 I N -2.341 118.204 120.570 -0.043 0.000 3.083 178 I HA 0.223 4.393 4.170 -0.000 0.000 0.273 178 I C 2.003 177.980 176.117 -0.233 0.000 1.297 178 I CA 1.631 62.806 61.300 -0.208 0.000 1.452 178 I CB -0.306 37.481 38.000 -0.355 0.000 1.078 178 I HN 0.172 nan 8.210 nan 0.000 0.484 179 F N 1.314 121.347 119.950 0.138 0.000 2.727 179 F HA 0.221 4.748 4.527 -0.000 0.000 0.302 179 F C 1.212 177.009 175.800 -0.006 0.000 1.097 179 F CA -0.460 57.591 58.000 0.085 0.000 1.330 179 F CB -0.892 38.232 39.000 0.206 0.000 1.084 179 F HN -0.133 nan 8.300 nan 0.000 0.578 180 T N 2.798 117.432 114.554 0.132 0.000 2.800 180 T HA -0.104 4.246 4.350 -0.000 0.000 0.283 180 T C 0.625 175.327 174.700 0.004 0.000 0.999 180 T CA 0.421 62.554 62.100 0.055 0.000 1.176 180 T CB -0.241 68.645 68.868 0.029 0.000 0.973 180 T HN 0.292 nan 8.240 nan 0.000 0.519 181 N N -0.297 118.397 118.700 -0.011 0.000 2.714 181 N HA -0.175 4.565 4.740 -0.000 0.000 0.250 181 N C 0.259 175.713 175.510 -0.094 0.000 1.117 181 N CA 0.850 53.885 53.050 -0.027 0.000 0.719 181 N CB -1.629 36.862 38.487 0.006 0.000 1.081 181 N HN 0.947 nan 8.380 nan 0.000 0.557 182 A N -0.392 122.293 122.820 -0.226 0.000 2.547 182 A HA 0.117 4.437 4.320 -0.000 0.000 0.233 182 A C 1.170 178.518 177.584 -0.393 0.000 1.067 182 A CA 0.188 51.916 52.037 -0.515 0.000 0.763 182 A CB 0.115 18.415 19.000 -1.167 0.000 1.007 182 A HN 0.235 nan 8.150 nan 0.000 0.506 183 Y N 1.142 121.201 120.300 -0.402 0.000 2.421 183 Y HA -0.147 4.403 4.550 -0.000 0.000 0.292 183 Y C 1.750 177.535 175.900 -0.191 0.000 1.136 183 Y CA 1.653 59.664 58.100 -0.149 0.000 1.255 183 Y CB -0.837 37.639 38.460 0.027 0.000 0.991 183 Y HN 0.795 nan 8.280 nan 0.000 0.552 184 F N -1.675 118.197 119.950 -0.130 0.000 2.789 184 F HA 0.236 4.763 4.527 -0.000 0.000 0.300 184 F C 0.488 176.172 175.800 -0.193 0.000 1.132 184 F CA -0.894 56.826 58.000 -0.467 0.000 1.404 184 F CB -1.271 37.132 39.000 -0.994 0.000 1.114 184 F HN -0.300 nan 8.300 nan 0.000 0.584 185 L N 2.083 123.234 121.223 -0.119 0.000 2.540 185 L HA 0.217 4.557 4.340 -0.000 0.000 0.276 185 L C 1.560 178.451 176.870 0.035 0.000 1.212 185 L CA 0.970 55.817 54.840 0.011 0.000 0.893 185 L CB -0.108 41.917 42.059 -0.057 0.000 1.138 185 L HN 0.652 nan 8.230 nan 0.000 0.491 186 G N 2.136 110.963 108.800 0.045 0.000 2.189 186 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.267 186 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.267 186 G C 0.635 175.561 174.900 0.043 0.000 0.975 186 G CA 0.356 45.475 45.100 0.032 0.000 0.644 186 G HN 1.553 nan 8.290 nan 0.000 0.537 187 G N -1.291 107.549 108.800 0.066 0.000 2.721 187 G HA2 0.356 4.316 3.960 -0.000 0.000 0.686 187 G HA3 0.356 4.316 3.960 -0.000 0.000 0.686 187 G C -0.817 174.173 174.900 0.150 0.000 1.236 187 G CA 0.474 45.628 45.100 0.091 0.000 0.786 187 G HN 1.954 nan 8.290 nan 0.000 0.616 188 H N 1.624 120.758 119.070 0.106 0.000 2.947 188 H HA 0.361 4.917 4.556 -0.000 0.000 0.354 188 H C 1.190 176.673 175.328 0.259 0.000 1.085 188 H CA -0.620 55.535 56.048 0.178 0.000 1.253 188 H CB 1.513 31.426 29.762 0.252 0.000 1.757 188 H HN 0.539 nan 8.280 nan 0.000 0.523 189 K N 2.530 123.148 120.400 0.363 0.000 2.152 189 K HA -0.059 4.261 4.320 -0.000 0.000 0.206 189 K C 1.650 178.585 176.600 0.559 0.000 1.048 189 K CA 1.477 57.986 56.287 0.370 0.000 0.933 189 K CB 0.215 32.853 32.500 0.230 0.000 0.721 189 K HN 0.491 nan 8.250 nan 0.000 0.447 190 A N 0.141 123.400 122.820 0.732 0.000 2.235 190 A HA -0.027 4.293 4.320 -0.000 0.000 0.208 190 A C -0.140 177.512 177.584 0.113 0.000 1.172 190 A CA 0.370 52.663 52.037 0.427 0.000 0.786 190 A CB -0.158 18.981 19.000 0.231 0.000 0.804 190 A HN 0.165 nan 8.150 nan 0.000 0.479 191 Y N -0.229 120.203 120.300 0.220 0.000 2.454 191 Y HA 0.359 4.909 4.550 -0.000 0.000 0.345 191 Y C 0.413 176.468 175.900 0.258 0.000 0.970 191 Y CA -0.522 57.675 58.100 0.162 0.000 1.204 191 Y CB 0.532 39.070 38.460 0.131 0.000 1.122 191 Y HN 0.312 nan 8.280 nan 0.000 0.514 192 Y N 1.004 121.392 120.300 0.148 0.000 2.510 192 Y HA 0.171 4.721 4.550 -0.000 0.000 0.273 192 Y C 0.748 176.497 175.900 -0.251 0.000 1.119 192 Y CA -0.775 57.259 58.100 -0.110 0.000 1.286 192 Y CB -0.410 37.842 38.460 -0.345 0.000 1.061 192 Y HN 0.332 nan 8.280 nan 0.000 0.542 193 L N 3.401 124.571 121.223 -0.088 0.000 2.490 193 L HA 0.105 4.445 4.340 -0.000 0.000 0.274 193 L C -2.036 174.652 176.870 -0.303 0.000 1.201 193 L CA -1.681 52.946 54.840 -0.355 0.000 0.869 193 L CB -0.019 41.946 42.059 -0.158 0.000 1.123 193 L HN -0.123 nan 8.230 nan 0.000 0.484 194 P HA 0.059 nan 4.420 nan 0.000 0.266 194 P C -2.041 175.162 177.300 -0.163 0.000 1.195 194 P CA -1.043 61.909 63.100 -0.246 0.000 0.768 194 P CB 0.149 31.708 31.700 -0.236 0.000 0.838 195 P HA -0.210 nan 4.420 nan 0.000 0.216 195 P C 1.016 178.263 177.300 -0.088 0.000 1.150 195 P CA 1.554 64.598 63.100 -0.093 0.000 0.843 195 P CB 0.014 31.672 31.700 -0.070 0.000 0.787 196 E N -0.994 119.163 120.200 -0.071 0.000 2.150 196 E HA -0.098 4.252 4.350 -0.000 0.000 0.193 196 E C 1.897 178.463 176.600 -0.057 0.000 0.985 196 E CA 0.795 57.163 56.400 -0.054 0.000 0.814 196 E CB -1.036 28.648 29.700 -0.027 0.000 0.752 196 E HN 0.095 nan 8.360 nan 0.000 0.466 197 V N 1.481 121.354 119.914 -0.068 0.000 2.591 197 V HA -0.172 3.948 4.120 -0.000 0.000 0.249 197 V C 1.683 177.741 176.094 -0.061 0.000 1.053 197 V CA 1.269 63.541 62.300 -0.045 0.000 1.068 197 V CB -0.458 31.330 31.823 -0.060 0.000 0.689 197 V HN 0.286 nan 8.190 nan 0.000 0.462 198 N N 0.474 119.117 118.700 -0.095 0.000 2.149 198 N HA -0.147 4.593 4.740 -0.000 0.000 0.188 198 N C 1.708 177.141 175.510 -0.129 0.000 1.019 198 N CA 1.378 54.358 53.050 -0.118 0.000 0.857 198 N CB -0.272 38.121 38.487 -0.157 0.000 0.997 198 N HN 0.415 nan 8.380 nan 0.000 0.426 199 L N 0.946 122.099 121.223 -0.118 0.000 2.179 199 L HA 0.146 4.486 4.340 -0.000 0.000 0.208 199 L C 1.892 178.676 176.870 -0.144 0.000 1.096 199 L CA 0.952 55.719 54.840 -0.121 0.000 0.779 199 L CB -0.327 41.675 42.059 -0.095 0.000 0.922 199 L HN 0.027 nan 8.230 nan 0.000 0.443 200 I N -0.291 120.190 120.570 -0.148 0.000 2.202 200 I HA -0.236 3.934 4.170 -0.000 0.000 0.242 200 I C 2.577 178.454 176.117 -0.400 0.000 1.091 200 I CA 1.127 62.270 61.300 -0.261 0.000 1.368 200 I CB -0.563 37.356 38.000 -0.135 0.000 1.058 200 I HN 0.337 nan 8.210 nan 0.000 0.410 201 A N 0.236 122.979 122.820 -0.128 0.000 1.877 201 A HA -0.197 4.123 4.320 -0.000 0.000 0.216 201 A C 2.379 180.008 177.584 0.074 0.000 1.186 201 A CA 2.425 54.496 52.037 0.057 0.000 0.620 201 A CB -1.099 17.956 19.000 0.092 0.000 0.822 201 A HN 0.366 nan 8.150 nan 0.000 0.443 202 T N 0.277 114.804 114.554 -0.045 0.000 2.788 202 T HA 0.001 4.351 4.350 -0.000 0.000 0.268 202 T C 2.195 176.901 174.700 0.010 0.000 1.044 202 T CA 1.457 63.522 62.100 -0.059 0.000 1.139 202 T CB -0.423 68.341 68.868 -0.173 0.000 0.867 202 T HN 0.593 nan 8.240 nan 0.000 0.454 203 A N 1.068 123.844 122.820 -0.072 0.000 1.940 203 A HA -0.175 4.145 4.320 -0.000 0.000 0.219 203 A C 1.902 179.536 177.584 0.082 0.000 1.176 203 A CA 1.692 53.704 52.037 -0.042 0.000 0.631 203 A CB -0.826 18.099 19.000 -0.124 0.000 0.814 203 A HN 0.723 nan 8.150 nan 0.000 0.446 204 H N -3.684 115.429 119.070 0.070 0.000 2.403 204 H HA -0.070 4.486 4.556 -0.000 0.000 0.298 204 H C 1.998 177.198 175.328 -0.213 0.000 1.059 204 H CA 1.114 57.155 56.048 -0.012 0.000 1.363 204 H CB -0.169 29.579 29.762 -0.022 0.000 1.410 204 H HN 0.625 nan 8.280 nan 0.000 0.528 205 Y N 2.059 122.299 120.300 -0.099 0.000 2.069 205 Y HA -0.316 4.234 4.550 -0.000 0.000 0.278 205 Y C 2.098 178.052 175.900 0.090 0.000 1.175 205 Y CA 1.625 59.710 58.100 -0.024 0.000 1.134 205 Y CB -0.599 37.956 38.460 0.157 0.000 0.965 205 Y HN 0.066 nan 8.280 nan 0.000 0.498 206 L N -0.149 121.296 121.223 0.370 0.000 2.056 206 L HA -0.203 4.137 4.340 -0.000 0.000 0.207 206 L C 2.445 179.334 176.870 0.032 0.000 1.078 206 L CA 1.766 56.734 54.840 0.212 0.000 0.749 206 L CB -0.694 41.445 42.059 0.134 0.000 0.901 206 L HN 0.258 nan 8.230 nan 0.000 0.433 207 E N 0.338 120.540 120.200 0.003 0.000 2.130 207 E HA -0.260 4.090 4.350 -0.000 0.000 0.196 207 E C 2.275 178.719 176.600 -0.261 0.000 0.998 207 E CA 1.270 57.615 56.400 -0.091 0.000 0.806 207 E CB -0.185 29.612 29.700 0.162 0.000 0.738 207 E HN 0.525 nan 8.360 nan 0.000 0.459 208 A N 1.032 123.699 122.820 -0.255 0.000 1.969 208 A HA -0.124 4.196 4.320 -0.000 0.000 0.218 208 A C 2.153 179.684 177.584 -0.089 0.000 1.169 208 A CA 0.803 52.599 52.037 -0.401 0.000 0.635 208 A CB -0.515 18.237 19.000 -0.413 0.000 0.810 208 A HN 0.143 nan 8.150 nan 0.000 0.445 209 L N -1.238 120.007 121.223 0.037 0.000 2.187 209 L HA -0.227 4.113 4.340 -0.000 0.000 0.213 209 L C 2.513 179.384 176.870 0.001 0.000 1.100 209 L CA 1.371 56.171 54.840 -0.067 0.000 0.765 209 L CB -0.555 41.462 42.059 -0.069 0.000 0.904 209 L HN 0.564 nan 8.230 nan 0.000 0.437 210 H N -2.059 116.914 119.070 -0.161 0.000 2.355 210 H HA -0.092 4.464 4.556 -0.000 0.000 0.303 210 H C 2.149 177.367 175.328 -0.183 0.000 1.061 210 H CA 0.938 56.899 56.048 -0.146 0.000 1.368 210 H CB 0.184 29.872 29.762 -0.122 0.000 1.412 210 H HN 0.183 nan 8.280 nan 0.000 0.523 211 M N 2.001 121.490 119.600 -0.185 0.000 2.267 211 M HA -0.179 4.301 4.480 -0.000 0.000 0.263 211 M C 2.234 178.442 176.300 -0.153 0.000 1.063 211 M CA 1.526 56.651 55.300 -0.293 0.000 1.090 211 M CB -0.161 31.982 32.600 -0.762 0.000 1.392 211 M HN 0.273 nan 8.290 nan 0.000 0.422 212 Q N -1.612 118.120 119.800 -0.113 0.000 2.230 212 Q HA -0.031 4.309 4.340 -0.000 0.000 0.202 212 Q C 1.611 177.687 176.000 0.126 0.000 0.963 212 Q CA 1.808 57.603 55.803 -0.013 0.000 0.866 212 Q CB -1.275 27.395 28.738 -0.113 0.000 0.931 212 Q HN 0.360 nan 8.270 nan 0.000 0.452 213 V N 0.997 120.924 119.914 0.022 0.000 2.358 213 V HA -0.233 3.887 4.120 -0.000 0.000 0.246 213 V C 2.216 178.312 176.094 0.004 0.000 1.047 213 V CA 2.118 64.419 62.300 0.002 0.000 1.035 213 V CB -0.537 31.245 31.823 -0.067 0.000 0.658 213 V HN 0.373 nan 8.190 nan 0.000 0.452 214 K N 0.185 120.580 120.400 -0.009 0.000 2.057 214 K HA -0.143 4.177 4.320 -0.000 0.000 0.207 214 K C 2.286 178.894 176.600 0.014 0.000 1.049 214 K CA 1.511 57.793 56.287 -0.009 0.000 0.931 214 K CB -0.427 32.058 32.500 -0.025 0.000 0.714 214 K HN 0.471 nan 8.250 nan 0.000 0.440 215 A N 1.092 123.944 122.820 0.053 0.000 1.972 215 A HA -0.109 4.211 4.320 -0.000 0.000 0.219 215 A C 2.240 179.876 177.584 0.087 0.000 1.169 215 A CA 1.842 53.937 52.037 0.095 0.000 0.635 215 A CB -0.510 18.596 19.000 0.177 0.000 0.810 215 A HN 0.356 nan 8.150 nan 0.000 0.446 216 A N -1.102 121.757 122.820 0.065 0.000 2.016 216 A HA 0.096 4.416 4.320 -0.000 0.000 0.217 216 A C 2.367 179.924 177.584 -0.045 0.000 1.162 216 A CA 1.575 53.569 52.037 -0.073 0.000 0.662 216 A CB -0.525 18.382 19.000 -0.155 0.000 0.812 216 A HN 0.409 nan 8.150 nan 0.000 0.450 217 S N 0.067 115.758 115.700 -0.015 0.000 2.345 217 S HA -0.010 4.460 4.470 -0.000 0.000 0.220 217 S C 2.394 177.007 174.600 0.022 0.000 1.031 217 S CA 1.105 59.299 58.200 -0.009 0.000 0.996 217 S CB -0.506 62.690 63.200 -0.006 0.000 0.882 217 S HN 0.786 nan 8.310 nan 0.000 0.445 218 A N 1.854 124.698 122.820 0.040 0.000 1.881 218 A HA -0.257 4.063 4.320 -0.000 0.000 0.219 218 A C 2.155 179.873 177.584 0.223 0.000 1.215 218 A CA 2.204 54.312 52.037 0.119 0.000 0.648 218 A CB -0.873 18.102 19.000 -0.043 0.000 0.832 218 A HN 0.515 nan 8.150 nan 0.000 0.455 219 M N -0.742 118.918 119.600 0.100 0.000 2.106 219 M HA -0.210 4.270 4.480 -0.000 0.000 0.259 219 M C 2.165 178.390 176.300 -0.125 0.000 1.068 219 M CA 1.873 57.177 55.300 0.006 0.000 1.100 219 M CB -0.225 32.340 32.600 -0.058 0.000 1.351 219 M HN 0.470 nan 8.290 nan 0.000 0.404 220 A N -0.289 122.476 122.820 -0.092 0.000 2.119 220 A HA -0.012 4.308 4.320 -0.000 0.000 0.216 220 A C 1.838 179.343 177.584 -0.132 0.000 1.152 220 A CA 0.714 52.678 52.037 -0.122 0.000 0.708 220 A CB -0.829 18.126 19.000 -0.075 0.000 0.805 220 A HN 0.592 nan 8.150 nan 0.000 0.460 221 I N -0.648 119.864 120.570 -0.097 0.000 2.286 221 I HA -0.239 3.931 4.170 -0.000 0.000 0.248 221 I C 2.119 178.099 176.117 -0.229 0.000 1.115 221 I CA 1.187 62.424 61.300 -0.105 0.000 1.392 221 I CB -0.114 37.878 38.000 -0.014 0.000 1.065 221 I HN 0.313 nan 8.210 nan 0.000 0.418 222 L N -0.621 120.373 121.223 -0.381 0.000 2.298 222 L HA 0.137 4.477 4.340 -0.000 0.000 0.209 222 L C 2.361 178.748 176.870 -0.804 0.000 1.084 222 L CA 0.808 55.310 54.840 -0.562 0.000 0.816 222 L CB -0.525 41.110 42.059 -0.707 0.000 0.967 222 L HN 0.209 nan 8.230 nan 0.000 0.460 223 G N -1.358 107.011 108.800 -0.718 0.000 2.939 223 G HA2 0.299 4.259 3.960 -0.000 0.000 0.210 223 G HA3 0.299 4.259 3.960 -0.000 0.000 0.210 223 G C 1.298 176.062 174.900 -0.227 0.000 1.160 223 G CA 0.673 45.313 45.100 -0.768 0.000 0.770 223 G HN 0.463 nan 8.290 nan 0.000 0.543 224 G N 0.165 108.871 108.800 -0.156 0.000 2.454 224 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.225 224 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.225 224 G C 0.347 175.233 174.900 -0.023 0.000 1.138 224 G CA 0.855 45.935 45.100 -0.033 0.000 0.667 224 G HN 1.320 nan 8.290 nan 0.000 0.512 225 K N -0.771 119.615 120.400 -0.023 0.000 2.685 225 K HA 0.570 4.890 4.320 -0.000 0.000 0.290 225 K C -2.030 174.558 176.600 -0.020 0.000 1.018 225 K CA -0.804 55.474 56.287 -0.016 0.000 0.860 225 K CB 1.278 33.786 32.500 0.013 0.000 1.498 225 K HN 0.433 nan 8.250 nan 0.000 0.390 226 N N 1.589 120.263 118.700 -0.043 0.000 2.425 226 N HA 0.432 5.172 4.740 -0.000 0.000 0.289 226 N C -2.847 172.608 175.510 -0.091 0.000 1.074 226 N CA -0.974 52.033 53.050 -0.071 0.000 0.905 226 N CB 1.971 40.385 38.487 -0.122 0.000 1.586 226 N HN 0.607 nan 8.380 nan 0.000 0.490 227 P HA 0.442 nan 4.420 nan 0.000 0.276 227 P C -1.162 176.114 177.300 -0.040 0.000 1.252 227 P CA 0.298 63.305 63.100 -0.155 0.000 0.802 227 P CB 0.299 31.806 31.700 -0.322 0.000 1.035 228 H N -1.993 117.118 119.070 0.067 0.000 3.194 228 H HA -0.087 4.469 4.556 -0.000 0.000 0.347 228 H C 0.071 175.473 175.328 0.124 0.000 1.106 228 H CA 0.295 56.405 56.048 0.103 0.000 1.110 228 H CB -2.215 27.591 29.762 0.073 0.000 1.586 228 H HN 0.604 nan 8.280 nan 0.000 0.391 229 T N -1.015 113.726 114.554 0.311 0.000 2.748 229 T HA 0.338 4.688 4.350 -0.000 0.000 0.304 229 T C 0.765 175.660 174.700 0.325 0.000 1.041 229 T CA -0.351 61.922 62.100 0.287 0.000 1.033 229 T CB 1.940 71.025 68.868 0.363 0.000 0.995 229 T HN 0.581 nan 8.240 nan 0.000 0.536 230 Q N 0.373 120.384 119.800 0.352 0.000 3.853 230 Q HA 0.359 4.699 4.340 -0.000 0.000 0.220 230 Q C -0.807 175.385 176.000 0.320 0.000 0.826 230 Q CA -0.495 55.478 55.803 0.284 0.000 0.821 230 Q CB 0.100 28.944 28.738 0.177 0.000 1.546 230 Q HN 0.860 nan 8.270 nan 0.000 0.410 231 F N -2.256 117.729 119.950 0.058 0.000 2.974 231 F HA 0.375 4.902 4.527 -0.000 0.000 0.357 231 F C 0.182 175.988 175.800 0.009 0.000 1.114 231 F CA -0.298 57.708 58.000 0.009 0.000 1.099 231 F CB 0.400 39.377 39.000 -0.040 0.000 1.205 231 F HN 0.025 nan 8.300 nan 0.000 0.535 232 T N 1.555 115.710 114.554 -0.665 0.000 2.909 232 T HA 0.704 5.054 4.350 -0.000 0.000 0.286 232 T C -0.232 174.308 174.700 -0.267 0.000 1.002 232 T CA -0.014 61.702 62.100 -0.640 0.000 1.074 232 T CB 2.067 70.545 68.868 -0.650 0.000 0.984 232 T HN 0.667 nan 8.240 nan 0.000 0.495 233 V N -1.053 118.728 119.914 -0.221 0.000 3.206 233 V HA 0.728 4.848 4.120 -0.000 0.000 0.305 233 V C -0.297 175.694 176.094 -0.172 0.000 1.257 233 V CA -1.418 60.813 62.300 -0.115 0.000 1.057 233 V CB 1.389 33.206 31.823 -0.010 0.000 1.075 233 V HN 0.821 nan 8.190 nan 0.000 0.443 234 V N 2.119 121.916 119.914 -0.195 0.000 2.585 234 V HA 0.524 4.644 4.120 -0.000 0.000 0.296 234 V C 1.682 177.536 176.094 -0.399 0.000 1.035 234 V CA 1.625 63.641 62.300 -0.475 0.000 1.084 234 V CB -0.144 31.096 31.823 -0.972 0.000 0.953 234 V HN 2.062 nan 8.190 nan 0.000 0.483 235 G N 2.777 111.351 108.800 -0.375 0.000 2.194 235 G HA2 0.116 4.076 3.960 -0.000 0.000 0.236 235 G HA3 0.116 4.076 3.960 -0.000 0.000 0.236 235 G C 0.683 175.538 174.900 -0.075 0.000 0.987 235 G CA 0.087 45.105 45.100 -0.138 0.000 0.635 235 G HN 1.968 nan 8.290 nan 0.000 0.520 236 G N -1.827 106.899 108.800 -0.124 0.000 2.374 236 G HA2 0.408 4.368 3.960 -0.000 0.000 0.067 236 G HA3 0.408 4.368 3.960 -0.000 0.000 0.067 236 G C -0.406 174.393 174.900 -0.169 0.000 1.023 236 G CA 0.553 45.582 45.100 -0.119 0.000 1.131 236 G HN 1.413 nan 8.290 nan 0.000 0.436 237 C N -0.311 118.895 119.300 -0.156 0.000 3.154 237 C HA 0.795 5.255 4.460 -0.000 0.000 0.312 237 C C 1.570 176.443 174.990 -0.195 0.000 1.349 237 C CA 0.350 59.256 59.018 -0.187 0.000 1.518 237 C CB 1.448 29.143 27.740 -0.076 0.000 1.934 237 C HN 1.315 nan 8.230 nan 0.000 0.462 238 S N -0.362 115.257 115.700 -0.135 0.000 2.526 238 S HA 0.035 4.505 4.470 -0.000 0.000 0.220 238 S C 0.346 174.829 174.600 -0.195 0.000 1.017 238 S CA 0.348 58.459 58.200 -0.147 0.000 0.930 238 S CB -0.396 62.805 63.200 0.001 0.000 0.856 238 S HN 0.709 nan 8.310 nan 0.000 0.497 239 N N 1.581 120.222 118.700 -0.097 0.000 2.971 239 N HA 0.198 4.938 4.740 -0.000 0.000 0.294 239 N C -0.045 175.400 175.510 -0.109 0.000 1.210 239 N CA -0.356 52.669 53.050 -0.042 0.000 1.157 239 N CB -0.753 37.756 38.487 0.037 0.000 1.450 239 N HN 0.350 nan 8.380 nan 0.000 0.527 240 Y N 0.311 120.635 120.300 0.040 0.000 2.207 240 Y HA -0.216 4.334 4.550 -0.000 0.000 0.287 240 Y C 2.371 178.276 175.900 0.008 0.000 1.156 240 Y CA 1.343 59.458 58.100 0.024 0.000 1.182 240 Y CB -0.146 38.328 38.460 0.024 0.000 0.979 240 Y HN 0.538 nan 8.280 nan 0.000 0.521 241 Q N 0.020 119.903 119.800 0.138 0.000 2.167 241 Q HA -0.100 4.240 4.340 -0.000 0.000 0.202 241 Q C 2.333 178.343 176.000 0.017 0.000 0.970 241 Q CA 1.184 57.029 55.803 0.071 0.000 0.855 241 Q CB -0.505 28.263 28.738 0.050 0.000 0.911 241 Q HN 0.515 nan 8.270 nan 0.000 0.438 242 G N 0.836 109.625 108.800 -0.018 0.000 2.527 242 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.219 242 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.219 242 G C 1.083 175.942 174.900 -0.069 0.000 1.117 242 G CA 0.415 45.463 45.100 -0.087 0.000 0.759 242 G HN 0.348 nan 8.290 nan 0.000 0.556 243 L N 1.092 122.310 121.223 -0.007 0.000 2.640 243 L HA 0.201 4.541 4.340 -0.000 0.000 0.230 243 L C 1.343 178.227 176.870 0.022 0.000 1.123 243 L CA 0.016 54.862 54.840 0.009 0.000 0.900 243 L CB -0.018 42.070 42.059 0.048 0.000 1.146 243 L HN 0.162 nan 8.230 nan 0.000 0.484 244 T N -4.179 110.387 114.554 0.020 0.000 2.902 244 T HA 0.196 4.546 4.350 -0.000 0.000 0.280 244 T C 0.945 175.657 174.700 0.020 0.000 0.992 244 T CA -0.687 61.429 62.100 0.025 0.000 1.015 244 T CB 2.287 71.172 68.868 0.029 0.000 1.044 244 T HN -0.020 nan 8.240 nan 0.000 0.520 245 K N 0.451 120.865 120.400 0.023 0.000 2.001 245 K HA -0.205 4.115 4.320 -0.000 0.000 0.214 245 K C 1.546 178.163 176.600 0.027 0.000 1.050 245 K CA 2.250 58.552 56.287 0.025 0.000 0.934 245 K CB -0.403 32.111 32.500 0.023 0.000 0.718 245 K HN 0.641 nan 8.250 nan 0.000 0.443 246 D N -0.129 120.285 120.400 0.023 0.000 2.084 246 D HA -0.079 4.561 4.640 -0.000 0.000 0.194 246 D C -0.755 175.562 176.300 0.028 0.000 0.990 246 D CA 1.197 55.211 54.000 0.023 0.000 0.826 246 D CB -1.525 39.286 40.800 0.018 0.000 0.971 246 D HN 0.238 nan 8.370 nan 0.000 0.453 247 P HA -0.123 nan 4.420 nan 0.000 0.216 247 P C 1.692 179.019 177.300 0.044 0.000 1.157 247 P CA 0.951 64.061 63.100 0.018 0.000 0.880 247 P CB -0.038 31.657 31.700 -0.008 0.000 0.791 248 L N -1.564 119.684 121.223 0.040 0.000 2.141 248 L HA -0.117 4.223 4.340 -0.000 0.000 0.209 248 L C 2.465 179.406 176.870 0.120 0.000 1.094 248 L CA 1.279 56.172 54.840 0.089 0.000 0.763 248 L CB -1.098 40.996 42.059 0.058 0.000 0.908 248 L HN -0.052 nan 8.230 nan 0.000 0.437 249 A N 0.400 123.264 122.820 0.073 0.000 1.933 249 A HA -0.259 4.061 4.320 -0.000 0.000 0.218 249 A C 2.083 179.702 177.584 0.058 0.000 1.175 249 A CA 2.199 54.270 52.037 0.057 0.000 0.628 249 A CB -0.637 18.385 19.000 0.036 0.000 0.814 249 A HN 0.457 nan 8.150 nan 0.000 0.444 250 N N -1.548 117.192 118.700 0.067 0.000 2.171 250 N HA -0.167 4.573 4.740 -0.000 0.000 0.184 250 N C 1.563 177.125 175.510 0.087 0.000 1.021 250 N CA 1.643 54.729 53.050 0.060 0.000 0.854 250 N CB -0.498 38.020 38.487 0.051 0.000 0.994 250 N HN 0.506 nan 8.380 nan 0.000 0.426 251 Y N 0.520 120.812 120.300 -0.014 0.000 2.165 251 Y HA -0.142 4.408 4.550 -0.000 0.000 0.286 251 Y C 2.077 177.974 175.900 -0.004 0.000 1.155 251 Y CA 1.404 59.494 58.100 -0.017 0.000 1.164 251 Y CB -0.626 37.819 38.460 -0.025 0.000 0.978 251 Y HN 0.167 nan 8.280 nan 0.000 0.513 252 L N 0.614 121.847 121.223 0.017 0.000 2.027 252 L HA -0.045 4.294 4.340 -0.000 0.000 0.206 252 L C 2.471 179.288 176.870 -0.088 0.000 1.074 252 L CA 2.220 57.018 54.840 -0.070 0.000 0.745 252 L CB -1.553 40.516 42.059 0.017 0.000 0.898 252 L HN 0.238 nan 8.230 nan 0.000 0.433 253 A N -0.367 122.431 122.820 -0.037 0.000 1.883 253 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 253 A C 2.294 179.846 177.584 -0.052 0.000 1.186 253 A CA 2.230 54.247 52.037 -0.033 0.000 0.624 253 A CB -1.004 17.990 19.000 -0.010 0.000 0.822 253 A HN 0.529 nan 8.150 nan 0.000 0.444 254 L N -0.676 120.507 121.223 -0.067 0.000 2.017 254 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 254 L C 2.872 179.678 176.870 -0.107 0.000 1.073 254 L CA 1.492 56.289 54.840 -0.072 0.000 0.745 254 L CB -0.535 41.490 42.059 -0.057 0.000 0.894 254 L HN 0.322 nan 8.230 nan 0.000 0.432 255 S N -0.337 115.240 115.700 -0.205 0.000 2.383 255 S HA -0.214 4.256 4.470 -0.000 0.000 0.229 255 S C 1.957 176.494 174.600 -0.105 0.000 1.030 255 S CA 1.391 59.466 58.200 -0.207 0.000 1.002 255 S CB -0.145 62.841 63.200 -0.358 0.000 0.829 255 S HN 0.338 nan 8.310 nan 0.000 0.467 256 K N 0.696 121.043 120.400 -0.089 0.000 2.155 256 K HA 0.008 4.328 4.320 -0.000 0.000 0.203 256 K C 2.183 178.770 176.600 -0.020 0.000 1.052 256 K CA 0.808 57.064 56.287 -0.052 0.000 0.948 256 K CB -0.034 32.437 32.500 -0.048 0.000 0.728 256 K HN 0.387 nan 8.250 nan 0.000 0.448 257 E N 0.292 120.482 120.200 -0.016 0.000 2.051 257 E HA -0.163 4.187 4.350 -0.000 0.000 0.192 257 E C 1.968 178.596 176.600 0.046 0.000 0.991 257 E CA 1.142 57.549 56.400 0.011 0.000 0.799 257 E CB 0.093 29.792 29.700 -0.001 0.000 0.748 257 E HN 0.022 nan 8.360 nan 0.000 0.449 258 V N 0.627 120.559 119.914 0.029 0.000 2.343 258 V HA -0.295 3.825 4.120 -0.000 0.000 0.247 258 V C 2.351 178.524 176.094 0.131 0.000 1.051 258 V CA 1.416 63.759 62.300 0.072 0.000 1.036 258 V CB -0.321 31.526 31.823 0.040 0.000 0.654 258 V HN 0.463 nan 8.190 nan 0.000 0.451 259 c N -0.746 117.893 118.600 0.066 0.000 2.450 259 c HA -0.125 4.445 4.570 -0.000 0.000 0.279 259 c C 2.814 176.932 174.090 0.048 0.000 1.335 259 c CA 1.146 57.507 56.329 0.052 0.000 1.749 259 c CB -0.838 41.668 42.510 -0.006 0.000 1.963 259 c HN 0.680 nan 8.230 nan 0.000 0.501 260 Q N -0.274 119.555 119.800 0.048 0.000 2.124 260 Q HA -0.240 4.100 4.340 -0.000 0.000 0.202 260 Q C 1.959 177.995 176.000 0.060 0.000 0.977 260 Q CA 1.766 57.589 55.803 0.034 0.000 0.850 260 Q CB -0.329 28.429 28.738 0.034 0.000 0.901 260 Q HN 0.684 nan 8.270 nan 0.000 0.429 261 F N -0.135 119.804 119.950 -0.018 0.000 2.206 261 F HA -0.116 4.411 4.527 -0.000 0.000 0.298 261 F C 1.778 177.596 175.800 0.030 0.000 1.090 261 F CA 0.907 58.896 58.000 -0.018 0.000 1.323 261 F CB -0.021 38.969 39.000 -0.016 0.000 1.028 261 F HN -0.087 nan 8.300 nan 0.000 0.492 262 V N 0.975 121.002 119.914 0.188 0.000 2.261 262 V HA -0.340 3.780 4.120 -0.000 0.000 0.246 262 V C 2.129 178.191 176.094 -0.053 0.000 1.047 262 V CA 2.279 64.668 62.300 0.148 0.000 1.015 262 V CB -0.797 31.126 31.823 0.166 0.000 0.642 262 V HN 0.382 nan 8.190 nan 0.000 0.446 263 N N -0.291 118.363 118.700 -0.075 0.000 2.331 263 N HA -0.112 4.628 4.740 -0.000 0.000 0.180 263 N C 1.811 177.232 175.510 -0.150 0.000 1.019 263 N CA 1.132 54.109 53.050 -0.123 0.000 0.881 263 N CB -0.024 38.404 38.487 -0.098 0.000 0.972 263 N HN 0.634 nan 8.380 nan 0.000 0.435 264 E N -0.489 119.604 120.200 -0.178 0.000 2.102 264 E HA 0.047 4.397 4.350 -0.000 0.000 0.190 264 E C 1.472 177.888 176.600 -0.306 0.000 0.971 264 E CA 0.645 56.920 56.400 -0.208 0.000 0.821 264 E CB 0.312 29.897 29.700 -0.191 0.000 0.777 264 E HN 0.304 nan 8.360 nan 0.000 0.460 265 C N -0.478 118.518 119.300 -0.507 0.000 2.463 265 C HA 0.093 4.553 4.460 -0.000 0.000 0.322 265 C C 2.272 177.133 174.990 -0.215 0.000 1.556 265 C CA -0.452 58.174 59.018 -0.654 0.000 2.225 265 C CB -0.916 25.943 27.740 -1.468 0.000 1.995 265 C HN 0.428 nan 8.230 nan 0.000 0.678 266 Y N 2.957 123.053 120.300 -0.340 0.000 2.002 266 Y HA -0.223 4.327 4.550 -0.000 0.000 0.268 266 Y C 2.237 177.927 175.900 -0.350 0.000 1.177 266 Y CA 1.687 59.665 58.100 -0.203 0.000 1.111 266 Y CB -0.920 37.476 38.460 -0.107 0.000 0.952 266 Y HN 0.182 nan 8.280 nan 0.000 0.491 267 I N 0.469 120.855 120.570 -0.307 0.000 2.163 267 I HA -0.183 3.987 4.170 -0.000 0.000 0.240 267 I C -0.352 175.608 176.117 -0.261 0.000 1.081 267 I CA 1.347 62.389 61.300 -0.431 0.000 1.353 267 I CB -2.758 35.018 38.000 -0.374 0.000 1.054 267 I HN 0.164 nan 8.210 nan 0.000 0.407 268 P HA -0.122 nan 4.420 nan 0.000 0.216 268 P C 1.147 178.435 177.300 -0.019 0.000 1.150 268 P CA 1.420 64.469 63.100 -0.086 0.000 0.837 268 P CB 0.053 31.719 31.700 -0.057 0.000 0.786 269 D N -0.997 119.428 120.400 0.040 0.000 2.097 269 D HA -0.134 4.506 4.640 -0.000 0.000 0.195 269 D C 1.860 178.212 176.300 0.086 0.000 0.989 269 D CA 0.864 54.963 54.000 0.165 0.000 0.827 269 D CB -0.968 40.060 40.800 0.380 0.000 0.966 269 D HN -0.025 nan 8.370 nan 0.000 0.456 270 L N 0.672 121.814 121.223 -0.134 0.000 1.990 270 L HA -0.172 4.168 4.340 -0.000 0.000 0.213 270 L C 2.206 178.984 176.870 -0.152 0.000 1.072 270 L CA 1.560 56.249 54.840 -0.252 0.000 0.755 270 L CB -0.700 41.042 42.059 -0.529 0.000 0.889 270 L HN 0.063 nan 8.230 nan 0.000 0.432 271 L N -1.104 120.029 121.223 -0.149 0.000 2.046 271 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 271 L C 2.671 179.507 176.870 -0.055 0.000 1.077 271 L CA 1.191 55.961 54.840 -0.116 0.000 0.747 271 L CB -1.095 40.889 42.059 -0.124 0.000 0.896 271 L HN 0.354 nan 8.230 nan 0.000 0.432 272 A N -0.042 122.779 122.820 0.003 0.000 1.865 272 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 272 A C 2.386 180.083 177.584 0.187 0.000 1.191 272 A CA 2.146 54.237 52.037 0.090 0.000 0.623 272 A CB -1.019 18.072 19.000 0.152 0.000 0.826 272 A HN 0.173 nan 8.150 nan 0.000 0.444 273 V N -0.295 119.710 119.914 0.152 0.000 2.343 273 V HA -0.247 3.873 4.120 -0.000 0.000 0.247 273 V C 3.031 179.203 176.094 0.130 0.000 1.051 273 V CA 2.052 64.454 62.300 0.171 0.000 1.036 273 V CB -1.099 30.713 31.823 -0.019 0.000 0.654 273 V HN 0.639 nan 8.190 nan 0.000 0.451 274 A N 0.155 122.956 122.820 -0.032 0.000 1.969 274 A HA -0.012 4.308 4.320 -0.000 0.000 0.218 274 A C 2.381 179.974 177.584 0.014 0.000 1.169 274 A CA 1.607 53.610 52.037 -0.057 0.000 0.635 274 A CB -1.011 17.916 19.000 -0.122 0.000 0.810 274 A HN 0.528 nan 8.150 nan 0.000 0.445 275 G N -1.033 107.745 108.800 -0.036 0.000 2.418 275 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.217 275 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.217 275 G C 1.278 176.086 174.900 -0.154 0.000 1.158 275 G CA 1.129 46.145 45.100 -0.141 0.000 0.771 275 G HN 0.440 nan 8.290 nan 0.000 0.545 276 F N -0.916 119.043 119.950 0.015 0.000 2.367 276 F HA 0.222 4.749 4.527 -0.000 0.000 0.298 276 F C 1.295 177.086 175.800 -0.016 0.000 1.094 276 F CA 0.350 58.322 58.000 -0.046 0.000 1.409 276 F CB 0.020 38.938 39.000 -0.136 0.000 1.064 276 F HN 0.112 nan 8.300 nan 0.000 0.528 277 Y N -0.483 120.015 120.300 0.330 0.000 2.756 277 Y HA 0.189 4.739 4.550 -0.000 0.000 0.300 277 Y C 1.532 177.634 175.900 0.338 0.000 1.113 277 Y CA -0.532 57.803 58.100 0.391 0.000 1.291 277 Y CB -0.377 38.176 38.460 0.156 0.000 1.175 277 Y HN -0.117 nan 8.280 nan 0.000 0.534 278 K N 0.709 121.299 120.400 0.317 0.000 2.144 278 K HA -0.254 4.066 4.320 -0.000 0.000 0.209 278 K C 1.603 178.359 176.600 0.260 0.000 1.047 278 K CA 2.013 58.427 56.287 0.211 0.000 0.927 278 K CB -0.062 32.502 32.500 0.107 0.000 0.716 278 K HN 0.551 nan 8.250 nan 0.000 0.454 279 D N -0.512 120.087 120.400 0.332 0.000 2.218 279 D HA -0.202 4.438 4.640 -0.000 0.000 0.204 279 D C 1.066 177.497 176.300 0.218 0.000 0.976 279 D CA 0.873 55.020 54.000 0.244 0.000 0.853 279 D CB -0.692 40.259 40.800 0.251 0.000 0.939 279 D HN 0.300 nan 8.370 nan 0.000 0.481 280 W N 1.465 122.921 121.300 0.260 0.000 3.216 280 W HA 0.357 5.017 4.660 -0.000 0.000 0.247 280 W C 2.181 178.797 176.519 0.161 0.000 1.326 280 W CA 0.422 57.908 57.345 0.235 0.000 1.564 280 W CB -0.021 29.630 29.460 0.320 0.000 1.113 280 W HN 0.105 nan 8.180 nan 0.000 0.722 281 G N -0.620 108.337 108.800 0.261 0.000 2.623 281 G HA2 0.042 4.002 3.960 -0.000 0.000 0.214 281 G HA3 0.042 4.002 3.960 -0.000 0.000 0.214 281 G C 1.344 176.322 174.900 0.131 0.000 1.138 281 G CA 0.603 45.806 45.100 0.172 0.000 0.794 281 G HN 0.292 nan 8.290 nan 0.000 0.535 282 G N 0.184 109.037 108.800 0.089 0.000 4.044 282 G HA2 0.511 4.471 3.960 -0.000 0.000 0.297 282 G HA3 0.511 4.471 3.960 -0.000 0.000 0.297 282 G C -0.299 174.597 174.900 -0.006 0.000 1.101 282 G CA -0.320 44.808 45.100 0.047 0.000 0.884 282 G HN 0.277 nan 8.290 nan 0.000 0.538 283 I N -0.459 120.114 120.570 0.004 0.000 2.582 283 I HA 0.509 4.679 4.170 -0.000 0.000 0.292 283 I C 0.888 177.061 176.117 0.094 0.000 1.066 283 I CA -0.695 60.562 61.300 -0.071 0.000 1.053 283 I CB 2.293 40.034 38.000 -0.432 0.000 1.241 283 I HN 0.170 nan 8.210 nan 0.000 0.421 284 G N 3.758 112.618 108.800 0.099 0.000 2.198 284 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.257 284 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.257 284 G C 0.299 175.323 174.900 0.206 0.000 1.042 284 G CA 0.016 45.229 45.100 0.188 0.000 0.791 284 G HN 1.061 nan 8.290 nan 0.000 0.502 285 G N -0.755 108.145 108.800 0.166 0.000 2.476 285 G HA2 0.849 4.808 3.960 -0.000 0.000 0.286 285 G HA3 0.849 4.808 3.960 -0.000 0.000 0.286 285 G C 0.304 175.280 174.900 0.128 0.000 1.177 285 G CA 0.746 45.957 45.100 0.184 0.000 0.870 285 G HN 1.415 nan 8.290 nan 0.000 0.528 286 T N -2.689 111.930 114.554 0.107 0.000 2.831 286 T HA 0.604 4.954 4.350 -0.000 0.000 0.287 286 T C 0.748 175.328 174.700 -0.200 0.000 1.070 286 T CA -0.248 61.841 62.100 -0.018 0.000 1.010 286 T CB 1.779 70.664 68.868 0.028 0.000 1.264 286 T HN 0.240 nan 8.240 nan 0.000 0.532 287 S N 0.295 115.827 115.700 -0.280 0.000 2.524 287 S HA 0.290 4.760 4.470 -0.000 0.000 0.222 287 S C 0.171 174.493 174.600 -0.463 0.000 1.040 287 S CA -0.359 57.636 58.200 -0.342 0.000 0.915 287 S CB -0.041 63.036 63.200 -0.205 0.000 0.831 287 S HN 0.733 nan 8.310 nan 0.000 0.492 288 N N 0.891 119.264 118.700 -0.544 0.000 2.321 288 N HA 0.469 5.209 4.740 -0.000 0.000 0.299 288 N C -1.587 173.509 175.510 -0.691 0.000 1.048 288 N CA -0.297 52.469 53.050 -0.473 0.000 0.836 288 N CB 1.215 39.579 38.487 -0.204 0.000 1.269 288 N HN 0.164 nan 8.380 nan 0.000 0.486 289 Y N 0.492 120.740 120.300 -0.087 0.000 2.409 289 Y HA 0.594 5.144 4.550 -0.000 0.000 0.343 289 Y C -0.272 175.504 175.900 -0.207 0.000 0.973 289 Y CA -1.174 56.867 58.100 -0.097 0.000 1.064 289 Y CB 2.177 40.627 38.460 -0.017 0.000 1.207 289 Y HN 0.382 nan 8.280 nan 0.000 0.452 290 L N 2.614 123.742 121.223 -0.159 0.000 2.431 290 L HA 1.017 5.357 4.340 -0.000 0.000 0.266 290 L C -1.500 175.150 176.870 -0.368 0.000 0.978 290 L CA -0.446 54.164 54.840 -0.383 0.000 0.822 290 L CB 1.910 43.512 42.059 -0.761 0.000 1.310 290 L HN 0.683 nan 8.230 nan 0.000 0.409 291 A N 3.826 126.475 122.820 -0.285 0.000 2.486 291 A HA 0.600 4.920 4.320 -0.000 0.000 0.300 291 A C -0.454 177.101 177.584 -0.048 0.000 1.048 291 A CA -0.488 51.418 52.037 -0.218 0.000 0.696 291 A CB 0.793 19.756 19.000 -0.062 0.000 1.278 291 A HN 0.812 nan 8.150 nan 0.000 0.405 292 F N 1.781 121.722 119.950 -0.015 0.000 2.754 292 F HA 0.370 4.897 4.527 -0.000 0.000 0.297 292 F C 1.665 177.503 175.800 0.063 0.000 1.122 292 F CA 0.726 58.752 58.000 0.043 0.000 1.400 292 F CB 0.402 39.440 39.000 0.063 0.000 1.117 292 F HN 1.050 nan 8.300 nan 0.000 0.587 293 G N 1.521 110.448 108.800 0.213 0.000 2.758 293 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.686 293 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.686 293 G C -1.294 173.647 174.900 0.068 0.000 1.389 293 G CA -0.748 44.411 45.100 0.098 0.000 0.845 293 G HN 0.193 nan 8.290 nan 0.000 0.572 294 E N -1.214 118.963 120.200 -0.038 0.000 2.445 294 E HA 0.715 5.065 4.350 -0.000 0.000 0.279 294 E C 0.115 176.459 176.600 -0.427 0.000 1.018 294 E CA -0.638 55.551 56.400 -0.352 0.000 0.816 294 E CB 0.633 29.898 29.700 -0.726 0.000 1.356 294 E HN 1.473 nan 8.360 nan 0.000 0.462 295 F N -0.738 119.057 119.950 -0.257 0.000 2.985 295 F HA -0.154 4.373 4.527 -0.000 0.000 0.303 295 F C 0.326 175.985 175.800 -0.235 0.000 0.976 295 F CA 0.456 58.214 58.000 -0.402 0.000 1.013 295 F CB -1.818 36.788 39.000 -0.655 0.000 1.060 295 F HN 0.399 nan 8.300 nan 0.000 0.780 296 A N 0.344 123.112 122.820 -0.088 0.000 2.386 296 A HA 0.547 4.867 4.320 -0.000 0.000 0.248 296 A C 1.386 178.957 177.584 -0.022 0.000 1.082 296 A CA 0.211 52.209 52.037 -0.065 0.000 0.789 296 A CB 0.379 19.325 19.000 -0.090 0.000 1.025 296 A HN 0.628 nan 8.150 nan 0.000 0.490 297 T N -1.744 112.813 114.554 0.005 0.000 3.081 297 T HA 0.129 4.479 4.350 -0.000 0.000 0.255 297 T C 0.018 174.725 174.700 0.011 0.000 1.113 297 T CA 0.971 63.082 62.100 0.019 0.000 1.082 297 T CB -0.036 68.858 68.868 0.044 0.000 0.939 297 T HN 0.598 nan 8.240 nan 0.000 0.506 298 D N 0.653 121.057 120.400 0.006 0.000 2.479 298 D HA 0.247 4.887 4.640 -0.000 0.000 0.246 298 D C -1.309 175.001 176.300 0.016 0.000 1.336 298 D CA -0.424 53.581 54.000 0.008 0.000 0.967 298 D CB 1.254 42.060 40.800 0.010 0.000 1.275 298 D HN -0.147 nan 8.370 nan 0.000 0.577 299 D N 1.525 121.930 120.400 0.009 0.000 2.643 299 D HA 0.039 4.679 4.640 -0.000 0.000 0.244 299 D C 1.264 177.548 176.300 -0.025 0.000 1.257 299 D CA 0.131 54.136 54.000 0.008 0.000 0.831 299 D CB 0.541 41.334 40.800 -0.011 0.000 1.043 299 D HN 0.334 nan 8.370 nan 0.000 0.488 300 S N -0.890 114.801 115.700 -0.015 0.000 2.561 300 S HA 0.056 4.526 4.470 -0.000 0.000 0.225 300 S C 0.868 175.450 174.600 -0.030 0.000 0.977 300 S CA -0.238 57.949 58.200 -0.022 0.000 0.926 300 S CB -0.015 63.179 63.200 -0.009 0.000 0.769 300 S HN 0.171 nan 8.310 nan 0.000 0.533 301 S N -0.697 114.986 115.700 -0.028 0.000 2.565 301 S HA 0.450 4.920 4.470 -0.000 0.000 0.274 301 S C -2.929 171.648 174.600 -0.038 0.000 1.144 301 S CA -1.047 57.130 58.200 -0.039 0.000 0.849 301 S CB 1.184 64.373 63.200 -0.019 0.000 1.103 301 S HN -0.054 nan 8.310 nan 0.000 0.455 302 P HA -0.076 nan 4.420 nan 0.000 0.217 302 P C 1.347 178.638 177.300 -0.016 0.000 1.148 302 P CA 1.511 64.551 63.100 -0.099 0.000 0.828 302 P CB -0.244 31.349 31.700 -0.179 0.000 0.783 303 S N -0.218 115.481 115.700 -0.003 0.000 2.383 303 S HA -0.070 4.400 4.470 -0.000 0.000 0.227 303 S C 1.867 176.482 174.600 0.025 0.000 1.026 303 S CA 1.060 59.272 58.200 0.019 0.000 0.981 303 S CB -0.446 62.767 63.200 0.022 0.000 0.818 303 S HN 0.105 nan 8.310 nan 0.000 0.472 304 K N 0.983 121.397 120.400 0.023 0.000 2.155 304 K HA -0.011 4.309 4.320 -0.000 0.000 0.203 304 K C 1.913 178.528 176.600 0.026 0.000 1.052 304 K CA 1.173 57.472 56.287 0.020 0.000 0.948 304 K CB -0.743 31.766 32.500 0.016 0.000 0.728 304 K HN 0.548 nan 8.250 nan 0.000 0.448 305 H N 0.876 119.914 119.070 -0.053 0.000 2.319 305 H HA -0.033 4.523 4.556 -0.000 0.000 0.299 305 H C 1.908 177.219 175.328 -0.029 0.000 1.092 305 H CA 1.955 57.966 56.048 -0.062 0.000 1.302 305 H CB -0.197 29.499 29.762 -0.110 0.000 1.373 305 H HN 0.018 nan 8.280 nan 0.000 0.497 306 L N -0.349 120.857 121.223 -0.028 0.000 2.046 306 L HA -0.138 4.202 4.340 -0.000 0.000 0.208 306 L C 2.820 179.659 176.870 -0.053 0.000 1.077 306 L CA 1.168 55.985 54.840 -0.038 0.000 0.747 306 L CB -0.579 41.508 42.059 0.048 0.000 0.896 306 L HN 0.454 nan 8.230 nan 0.000 0.432 307 A N -0.626 122.178 122.820 -0.027 0.000 2.016 307 A HA -0.112 4.208 4.320 -0.000 0.000 0.217 307 A C 2.178 179.751 177.584 -0.018 0.000 1.162 307 A CA 1.752 53.783 52.037 -0.009 0.000 0.662 307 A CB -0.548 18.457 19.000 0.008 0.000 0.812 307 A HN 0.491 nan 8.150 nan 0.000 0.450 308 T N -3.768 110.758 114.554 -0.048 0.000 3.044 308 T HA 0.255 4.605 4.350 -0.000 0.000 0.260 308 T C 0.507 175.185 174.700 -0.035 0.000 1.019 308 T CA 0.293 62.379 62.100 -0.024 0.000 0.921 308 T CB -0.160 68.702 68.868 -0.010 0.000 1.053 308 T HN 0.068 nan 8.240 nan 0.000 0.533 309 S N 2.418 118.048 115.700 -0.117 0.000 2.546 309 S HA 0.085 4.555 4.470 -0.000 0.000 0.290 309 S C 1.191 175.854 174.600 0.105 0.000 1.290 309 S CA -0.290 57.852 58.200 -0.097 0.000 1.069 309 S CB 0.912 63.975 63.200 -0.228 0.000 0.846 309 S HN 0.497 nan 8.310 nan 0.000 0.495 310 Q N 1.094 121.034 119.800 0.233 0.000 2.311 310 Q HA 0.040 4.380 4.340 -0.000 0.000 0.203 310 Q C -0.508 175.904 176.000 0.686 0.000 0.954 310 Q CA 0.786 56.831 55.803 0.404 0.000 0.885 310 Q CB 0.111 29.131 28.738 0.471 0.000 0.963 310 Q HN 0.573 nan 8.270 nan 0.000 0.471 311 F N 2.309 122.434 119.950 0.291 0.000 2.334 311 F HA 0.294 4.821 4.527 -0.000 0.000 0.365 311 F C -2.007 173.829 175.800 0.059 0.000 1.124 311 F CA -3.953 54.189 58.000 0.236 0.000 1.166 311 F CB 0.217 39.454 39.000 0.396 0.000 1.355 311 F HN -0.108 nan 8.300 nan 0.000 0.532 312 P HA -0.025 nan 4.420 nan 0.000 0.265 312 P C 0.237 177.557 177.300 0.033 0.000 1.187 312 P CA 0.176 63.305 63.100 0.047 0.000 0.766 312 P CB 0.710 32.405 31.700 -0.009 0.000 0.820 313 S N 1.897 117.614 115.700 0.028 0.000 2.608 313 S HA 0.647 5.117 4.470 -0.000 0.000 0.261 313 S C 0.421 175.039 174.600 0.029 0.000 1.314 313 S CA 0.460 58.691 58.200 0.052 0.000 0.992 313 S CB 0.175 63.424 63.200 0.083 0.000 0.935 313 S HN 0.885 nan 8.310 nan 0.000 0.564 314 G N -0.968 107.848 108.800 0.026 0.000 2.328 314 G HA2 0.431 4.391 3.960 -0.000 0.000 0.299 314 G HA3 0.431 4.391 3.960 -0.000 0.000 0.299 314 G C -1.875 173.004 174.900 -0.035 0.000 1.435 314 G CA -0.328 44.777 45.100 0.009 0.000 0.865 314 G HN 1.347 nan 8.290 nan 0.000 0.601 315 V N 0.950 120.851 119.914 -0.021 0.000 2.482 315 V HA 0.529 4.649 4.120 -0.000 0.000 0.295 315 V C 0.004 176.102 176.094 0.008 0.000 1.026 315 V CA -0.538 61.724 62.300 -0.064 0.000 0.856 315 V CB 1.391 33.158 31.823 -0.093 0.000 1.001 315 V HN 0.681 nan 8.190 nan 0.000 0.424 316 I N 3.434 124.028 120.570 0.040 0.000 2.359 316 I HA 0.498 4.668 4.170 -0.000 0.000 0.294 316 I C 0.140 176.283 176.117 0.044 0.000 0.987 316 I CA -0.043 61.306 61.300 0.082 0.000 1.225 316 I CB 1.970 40.071 38.000 0.169 0.000 1.366 316 I HN 0.505 nan 8.210 nan 0.000 0.466 317 T N 4.052 118.622 114.554 0.027 0.000 2.815 317 T HA 0.458 4.808 4.350 -0.000 0.000 0.289 317 T C 0.517 175.201 174.700 -0.026 0.000 1.000 317 T CA -0.118 61.981 62.100 -0.002 0.000 0.958 317 T CB 1.419 70.307 68.868 0.034 0.000 0.944 317 T HN 1.024 nan 8.240 nan 0.000 0.442 318 G N 3.437 112.191 108.800 -0.076 0.000 2.176 318 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.252 318 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.252 318 G C 0.569 175.398 174.900 -0.118 0.000 1.024 318 G CA 0.323 45.366 45.100 -0.094 0.000 0.755 318 G HN 0.857 nan 8.290 nan 0.000 0.507 319 R N -1.660 118.753 120.500 -0.145 0.000 3.954 319 R HA -0.196 4.144 4.340 -0.000 0.000 0.422 319 R C 0.268 176.540 176.300 -0.047 0.000 1.091 319 R CA 1.379 57.357 56.100 -0.203 0.000 1.168 319 R CB -1.483 28.565 30.300 -0.420 0.000 1.752 319 R HN 0.539 nan 8.270 nan 0.000 0.547 320 D N 1.205 121.595 120.400 -0.016 0.000 2.352 320 D HA 0.120 4.760 4.640 -0.000 0.000 0.245 320 D C 0.862 177.184 176.300 0.035 0.000 1.224 320 D CA -0.067 53.943 54.000 0.015 0.000 0.879 320 D CB 0.549 41.356 40.800 0.012 0.000 1.057 320 D HN 0.260 nan 8.370 nan 0.000 0.491 321 L N 2.698 123.953 121.223 0.054 0.000 2.627 321 L HA 0.267 4.607 4.340 -0.000 0.000 0.232 321 L C 1.845 178.742 176.870 0.044 0.000 1.150 321 L CA -0.069 54.813 54.840 0.069 0.000 0.917 321 L CB 0.372 42.507 42.059 0.126 0.000 1.104 321 L HN 0.402 nan 8.230 nan 0.000 0.445 322 G N -0.017 108.803 108.800 0.033 0.000 3.502 322 G HA2 0.114 4.074 3.960 -0.000 0.000 0.267 322 G HA3 0.114 4.074 3.960 -0.000 0.000 0.267 322 G C 0.538 175.449 174.900 0.020 0.000 1.090 322 G CA -0.077 45.035 45.100 0.020 0.000 0.795 322 G HN 0.166 nan 8.290 nan 0.000 0.535 323 K N 0.568 120.983 120.400 0.026 0.000 3.429 323 K HA 0.260 4.580 4.320 -0.000 0.000 0.166 323 K C -0.675 175.946 176.600 0.035 0.000 1.079 323 K CA -0.293 56.011 56.287 0.029 0.000 0.750 323 K CB 1.024 33.541 32.500 0.029 0.000 0.883 323 K HN -0.039 nan 8.250 nan 0.000 0.549 324 V N 2.238 122.172 119.914 0.032 0.000 2.439 324 V HA 0.112 4.232 4.120 -0.000 0.000 0.271 324 V C 0.296 176.415 176.094 0.042 0.000 1.040 324 V CA -0.153 62.169 62.300 0.035 0.000 1.002 324 V CB 0.596 32.434 31.823 0.024 0.000 1.000 324 V HN 0.405 nan 8.190 nan 0.000 0.477 325 D N 3.174 123.606 120.400 0.055 0.000 2.348 325 D HA 0.266 4.905 4.640 -0.000 0.000 0.249 325 D C 0.116 176.462 176.300 0.077 0.000 1.110 325 D CA -0.426 53.618 54.000 0.073 0.000 0.967 325 D CB 0.601 41.464 40.800 0.105 0.000 1.139 325 D HN 0.413 nan 8.370 nan 0.000 0.466 326 N N -0.457 118.297 118.700 0.091 0.000 2.525 326 N HA 0.130 4.870 4.740 -0.000 0.000 0.271 326 N C -0.476 175.126 175.510 0.154 0.000 1.194 326 N CA -0.328 52.783 53.050 0.101 0.000 0.964 326 N CB 0.802 39.344 38.487 0.091 0.000 1.126 326 N HN 0.061 nan 8.380 nan 0.000 0.452 327 V N 1.348 121.359 119.914 0.162 0.000 2.572 327 V HA -0.017 4.103 4.120 -0.000 0.000 0.291 327 V C 0.467 176.729 176.094 0.281 0.000 1.039 327 V CA -0.053 62.394 62.300 0.245 0.000 1.055 327 V CB 0.638 32.611 31.823 0.251 0.000 0.969 327 V HN 0.564 nan 8.190 nan 0.000 0.482 328 D N 4.362 125.001 120.400 0.399 0.000 2.460 328 D HA 0.291 4.931 4.640 -0.000 0.000 0.232 328 D C 0.862 177.379 176.300 0.362 0.000 1.079 328 D CA -0.360 53.818 54.000 0.297 0.000 0.864 328 D CB 1.156 42.076 40.800 0.200 0.000 1.048 328 D HN 0.402 nan 8.370 nan 0.000 0.523 329 L N 2.663 124.090 121.223 0.341 0.000 2.187 329 L HA -0.017 4.323 4.340 -0.000 0.000 0.213 329 L C 2.327 179.486 176.870 0.481 0.000 1.100 329 L CA 1.195 56.309 54.840 0.457 0.000 0.765 329 L CB -0.151 42.170 42.059 0.437 0.000 0.904 329 L HN 0.477 nan 8.230 nan 0.000 0.437 330 G N -0.409 108.587 108.800 0.326 0.000 2.509 330 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.218 330 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.218 330 G C 1.631 176.678 174.900 0.245 0.000 1.124 330 G CA 0.689 45.933 45.100 0.239 0.000 0.776 330 G HN 0.470 nan 8.290 nan 0.000 0.547 331 A N -0.173 122.753 122.820 0.178 0.000 2.178 331 A HA 0.439 4.759 4.320 -0.000 0.000 0.211 331 A C 1.047 178.705 177.584 0.123 0.000 1.157 331 A CA -0.214 51.829 52.037 0.010 0.000 0.780 331 A CB -0.013 18.773 19.000 -0.356 0.000 0.828 331 A HN 0.320 nan 8.150 nan 0.000 0.476 332 I N 0.483 121.210 120.570 0.262 0.000 2.575 332 I HA 0.369 4.539 4.170 -0.000 0.000 0.285 332 I C -0.098 176.083 176.117 0.107 0.000 1.085 332 I CA -0.128 61.345 61.300 0.288 0.000 1.403 332 I CB 0.609 38.807 38.000 0.329 0.000 1.409 332 I HN 0.514 nan 8.210 nan 0.000 0.557 333 Y N 2.766 123.019 120.300 -0.077 0.000 2.677 333 Y HA 0.609 5.159 4.550 0.000 0.000 0.334 333 Y C -1.727 174.051 175.900 -0.204 0.000 1.196 333 Y CA -1.342 56.653 58.100 -0.175 0.000 1.059 333 Y CB 1.055 39.464 38.460 -0.085 0.000 1.315 333 Y HN 0.483 nan 8.280 nan 0.000 0.455 334 E N 1.781 121.925 120.200 -0.093 0.000 2.256 334 E HA 0.334 4.684 4.350 -0.000 0.000 0.268 334 E C -1.666 174.922 176.600 -0.019 0.000 0.877 334 E CA -1.079 55.203 56.400 -0.196 0.000 0.757 334 E CB 2.225 31.791 29.700 -0.224 0.000 1.183 334 E HN 0.521 nan 8.360 nan 0.000 0.418 335 D N 1.262 121.643 120.400 -0.031 0.000 2.277 335 D HA 0.220 4.860 4.640 -0.000 0.000 0.250 335 D C 0.690 176.985 176.300 -0.009 0.000 1.032 335 D CA -0.449 53.569 54.000 0.029 0.000 0.947 335 D CB 2.142 42.987 40.800 0.076 0.000 1.159 335 D HN 0.292 nan 8.370 nan 0.000 0.460 336 V N -1.536 118.385 119.914 0.012 0.000 3.330 336 V HA 0.162 4.282 4.120 -0.000 0.000 0.309 336 V C 1.680 177.778 176.094 0.007 0.000 1.481 336 V CA -0.271 62.064 62.300 0.058 0.000 1.068 336 V CB 0.172 32.062 31.823 0.111 0.000 0.935 336 V HN 0.369 nan 8.190 nan 0.000 0.453 337 K N 1.313 121.669 120.400 -0.073 0.000 2.089 337 K HA -0.167 4.153 4.320 -0.000 0.000 0.210 337 K C 1.357 177.595 176.600 -0.603 0.000 1.048 337 K CA 2.582 58.699 56.287 -0.284 0.000 0.926 337 K CB -0.387 31.917 32.500 -0.327 0.000 0.714 337 K HN 0.607 nan 8.250 nan 0.000 0.448 338 Y N 0.273 120.395 120.300 -0.298 0.000 2.555 338 Y HA 0.320 4.870 4.550 -0.000 0.000 0.259 338 Y C -0.039 175.478 175.900 -0.639 0.000 1.179 338 Y CA -0.560 57.246 58.100 -0.491 0.000 1.230 338 Y CB 0.700 38.931 38.460 -0.382 0.000 1.146 338 Y HN -0.068 nan 8.280 nan 0.000 0.526 339 S N -1.541 113.990 115.700 -0.282 0.000 2.739 339 S HA 0.260 4.730 4.470 -0.000 0.000 0.306 339 S C -0.683 173.748 174.600 -0.282 0.000 1.115 339 S CA -0.820 57.184 58.200 -0.328 0.000 0.985 339 S CB 0.987 64.229 63.200 0.070 0.000 1.133 339 S HN 0.238 nan 8.310 nan 0.000 0.541 340 W N 2.424 123.432 121.300 -0.487 0.000 1.496 340 W HA 0.395 5.055 4.660 -0.000 0.000 0.422 340 W C -1.081 174.929 176.519 -0.849 0.000 0.638 340 W CA -0.535 56.337 57.345 -0.787 0.000 2.105 340 W CB -1.293 27.299 29.460 -1.446 0.000 1.639 340 W HN 0.559 nan 8.180 nan 0.000 0.304 341 Y N 0.013 120.347 120.300 0.056 0.000 2.698 341 Y HA 0.631 5.181 4.550 -0.000 0.000 0.332 341 Y C 0.371 176.282 175.900 0.018 0.000 1.119 341 Y CA -1.787 56.346 58.100 0.055 0.000 1.109 341 Y CB 0.257 38.759 38.460 0.070 0.000 1.308 341 Y HN -0.052 nan 8.280 nan 0.000 0.499 342 A N 2.218 125.154 122.820 0.192 0.000 2.354 342 A HA 0.527 4.847 4.320 -0.000 0.000 0.269 342 A C -2.374 175.257 177.584 0.078 0.000 1.109 342 A CA -1.453 50.636 52.037 0.087 0.000 0.800 342 A CB -0.658 18.386 19.000 0.073 0.000 1.045 342 A HN 0.452 nan 8.150 nan 0.000 0.489 343 P HA 0.130 nan 4.420 nan 0.000 0.267 343 P C 0.790 178.107 177.300 0.028 0.000 1.195 343 P CA 1.498 64.620 63.100 0.036 0.000 0.773 343 P CB 0.321 32.032 31.700 0.018 0.000 0.837 344 G N 0.977 109.786 108.800 0.016 0.000 2.147 344 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.244 344 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.244 344 G C 0.732 175.638 174.900 0.011 0.000 1.005 344 G CA 0.038 45.143 45.100 0.008 0.000 0.713 344 G HN 0.910 nan 8.290 nan 0.000 0.515 345 G N -0.748 108.063 108.800 0.018 0.000 3.393 345 G HA2 0.411 4.371 3.960 -0.000 0.000 0.255 345 G HA3 0.411 4.371 3.960 -0.000 0.000 0.255 345 G C 0.161 175.063 174.900 0.004 0.000 1.097 345 G CA 0.309 45.416 45.100 0.011 0.000 0.780 345 G HN 0.450 nan 8.290 nan 0.000 0.540 346 D N 0.211 120.615 120.400 0.007 0.000 2.358 346 D HA 0.368 5.008 4.640 -0.000 0.000 0.244 346 D C 1.402 177.713 176.300 0.019 0.000 1.163 346 D CA 0.877 54.890 54.000 0.022 0.000 0.945 346 D CB 1.219 42.026 40.800 0.013 0.000 1.152 346 D HN 0.193 nan 8.370 nan 0.000 0.451 347 G N 0.735 109.579 108.800 0.073 0.000 2.258 347 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.274 347 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.274 347 G C 0.087 174.982 174.900 -0.009 0.000 1.021 347 G CA 0.286 45.352 45.100 -0.056 0.000 0.798 347 G HN 0.270 nan 8.290 nan 0.000 0.507 348 K N 0.711 121.149 120.400 0.064 0.000 2.276 348 K HA 0.222 4.542 4.320 -0.000 0.000 0.285 348 K C 0.507 177.118 176.600 0.020 0.000 1.062 348 K CA -0.645 55.656 56.287 0.023 0.000 0.918 348 K CB 0.704 33.197 32.500 -0.013 0.000 1.055 348 K HN 0.489 nan 8.250 nan 0.000 0.477 349 H N 4.459 123.488 119.070 -0.068 0.000 2.815 349 H HA 0.035 4.591 4.556 0.000 0.000 0.350 349 H C -1.675 173.479 175.328 -0.290 0.000 1.080 349 H CA -1.329 54.621 56.048 -0.164 0.000 1.433 349 H CB 1.253 30.939 29.762 -0.127 0.000 1.432 349 H HN 0.223 nan 8.280 nan 0.000 0.592 350 P HA -0.180 nan 4.420 nan 0.000 0.216 350 P C 1.006 178.107 177.300 -0.332 0.000 1.150 350 P CA 1.256 63.868 63.100 -0.813 0.000 0.837 350 P CB -0.078 30.461 31.700 -1.935 0.000 0.786 351 Y N 0.290 120.566 120.300 -0.040 0.000 2.241 351 Y HA -0.170 4.380 4.550 -0.000 0.000 0.286 351 Y C 1.532 177.452 175.900 0.033 0.000 1.166 351 Y CA 1.028 59.180 58.100 0.087 0.000 1.203 351 Y CB -1.064 37.472 38.460 0.127 0.000 0.977 351 Y HN 0.099 nan 8.280 nan 0.000 0.529 352 D N -0.749 119.756 120.400 0.174 0.000 2.424 352 D HA 0.142 4.782 4.640 -0.000 0.000 0.220 352 D C 1.069 177.387 176.300 0.030 0.000 1.150 352 D CA 0.223 54.275 54.000 0.086 0.000 0.831 352 D CB -0.087 40.755 40.800 0.069 0.000 0.981 352 D HN 0.176 nan 8.370 nan 0.000 0.500 353 G N 0.675 109.470 108.800 -0.009 0.000 2.647 353 G HA2 0.259 4.219 3.960 -0.000 0.000 0.234 353 G HA3 0.259 4.219 3.960 -0.000 0.000 0.234 353 G C 0.107 175.001 174.900 -0.010 0.000 1.252 353 G CA 0.030 45.104 45.100 -0.044 0.000 0.846 353 G HN 0.039 nan 8.290 nan 0.000 0.589 354 V N 0.547 120.442 119.914 -0.032 0.000 2.577 354 V HA 0.551 4.670 4.120 -0.000 0.000 0.303 354 V C -0.192 175.874 176.094 -0.046 0.000 1.042 354 V CA -0.747 61.545 62.300 -0.013 0.000 0.872 354 V CB 2.163 33.982 31.823 -0.007 0.000 0.998 354 V HN 0.803 nan 8.190 nan 0.000 0.423 355 T N 2.764 117.332 114.554 0.024 0.000 2.991 355 T HA 0.371 4.721 4.350 -0.000 0.000 0.347 355 T C -0.985 173.834 174.700 0.198 0.000 1.122 355 T CA -0.232 61.904 62.100 0.062 0.000 1.062 355 T CB 0.537 69.497 68.868 0.153 0.000 1.043 355 T HN 0.732 nan 8.240 nan 0.000 0.491 356 D N 4.383 124.946 120.400 0.272 0.000 2.378 356 D HA 0.269 4.909 4.640 -0.000 0.000 0.265 356 D C -2.461 174.019 176.300 0.299 0.000 1.229 356 D CA -2.077 52.069 54.000 0.244 0.000 0.914 356 D CB 1.469 42.361 40.800 0.154 0.000 1.140 356 D HN 0.135 nan 8.370 nan 0.000 0.516 357 P HA 0.031 nan 4.420 nan 0.000 0.260 357 P C -0.508 176.818 177.300 0.042 0.000 1.185 357 P CA 0.135 63.238 63.100 0.005 0.000 0.763 357 P CB 0.371 31.907 31.700 -0.274 0.000 0.776 358 K N 4.194 124.581 120.400 -0.021 0.000 2.656 358 K HA 0.242 4.562 4.320 -0.000 0.000 0.241 358 K C -1.462 175.055 176.600 -0.139 0.000 0.967 358 K CA -0.818 55.441 56.287 -0.047 0.000 0.946 358 K CB 0.620 33.089 32.500 -0.052 0.000 1.164 358 K HN 0.282 nan 8.250 nan 0.000 0.459 359 Y N 2.851 122.961 120.300 -0.315 0.000 2.320 359 Y HA 0.188 4.738 4.550 -0.000 0.000 0.324 359 Y C 1.034 176.672 175.900 -0.437 0.000 1.190 359 Y CA 0.554 58.241 58.100 -0.689 0.000 1.215 359 Y CB 1.476 39.538 38.460 -0.662 0.000 1.221 359 Y HN 0.759 nan 8.280 nan 0.000 0.486 360 T N 0.789 114.703 114.554 -1.067 0.000 3.499 360 T HA 0.349 4.699 4.350 -0.000 0.000 0.227 360 T C -0.468 173.881 174.700 -0.584 0.000 0.946 360 T CA 0.396 62.190 62.100 -0.511 0.000 1.368 360 T CB 0.149 68.923 68.868 -0.158 0.000 1.227 360 T HN 0.698 nan 8.240 nan 0.000 0.398 361 K N -0.362 119.669 120.400 -0.615 0.000 2.870 361 K HA 0.440 4.760 4.320 -0.000 0.000 0.290 361 K C -1.888 174.683 176.600 -0.047 0.000 1.070 361 K CA -0.997 55.123 56.287 -0.278 0.000 0.843 361 K CB 0.405 32.859 32.500 -0.077 0.000 1.475 361 K HN 0.141 nan 8.250 nan 0.000 0.359 362 L N 1.792 123.052 121.223 0.062 0.000 2.472 362 L HA 0.190 4.530 4.340 -0.000 0.000 0.260 362 L C -0.064 176.846 176.870 0.067 0.000 1.209 362 L CA 1.272 56.195 54.840 0.138 0.000 0.817 362 L CB -0.454 41.678 42.059 0.121 0.000 1.106 362 L HN 0.902 nan 8.230 nan 0.000 0.479 363 D N 0.302 120.721 120.400 0.032 0.000 2.800 363 D HA -0.193 4.447 4.640 -0.000 0.000 0.232 363 D C -0.611 175.651 176.300 -0.063 0.000 1.137 363 D CA 0.905 54.869 54.000 -0.060 0.000 0.718 363 D CB -0.926 39.845 40.800 -0.048 0.000 1.084 363 D HN 0.509 nan 8.370 nan 0.000 0.432 364 D N -0.166 120.225 120.400 -0.016 0.000 2.440 364 D HA 0.282 4.922 4.640 -0.000 0.000 0.239 364 D C 0.734 177.030 176.300 -0.007 0.000 1.084 364 D CA -0.548 53.460 54.000 0.013 0.000 0.843 364 D CB 0.914 41.775 40.800 0.102 0.000 1.097 364 D HN -0.064 nan 8.370 nan 0.000 0.531 365 K N 1.713 122.075 120.400 -0.064 0.000 2.459 365 K HA 0.059 4.379 4.320 -0.000 0.000 0.193 365 K C 0.744 177.485 176.600 0.234 0.000 1.030 365 K CA 0.466 56.713 56.287 -0.066 0.000 1.026 365 K CB 0.552 32.962 32.500 -0.150 0.000 0.809 365 K HN 0.366 nan 8.250 nan 0.000 0.504 366 D N -0.668 119.823 120.400 0.153 0.000 2.327 366 D HA 0.001 4.641 4.640 -0.000 0.000 0.205 366 D C -0.155 175.938 176.300 -0.346 0.000 0.989 366 D CA 0.796 54.809 54.000 0.022 0.000 0.873 366 D CB 0.491 41.278 40.800 -0.023 0.000 0.955 366 D HN 0.206 nan 8.370 nan 0.000 0.515 367 H N -0.212 118.847 119.070 -0.020 0.000 3.275 367 H HA 0.082 4.638 4.556 -0.000 0.000 0.326 367 H C -0.906 174.014 175.328 -0.680 0.000 1.096 367 H CA -0.329 55.485 56.048 -0.390 0.000 1.579 367 H CB 0.474 30.059 29.762 -0.295 0.000 1.834 367 H HN 0.089 nan 8.280 nan 0.000 0.510 368 Y N 0.718 120.442 120.300 -0.960 0.000 2.809 368 Y HA 0.565 5.115 4.550 -0.000 0.000 0.251 368 Y C -0.461 174.674 175.900 -1.274 0.000 1.136 368 Y CA -0.647 56.851 58.100 -1.003 0.000 1.185 368 Y CB 0.638 38.902 38.460 -0.327 0.000 1.260 368 Y HN 0.272 nan 8.280 nan 0.000 0.576 369 S N -0.480 114.094 115.700 -1.876 0.000 2.542 369 S HA 0.219 4.689 4.470 -0.000 0.000 0.276 369 S C -0.944 173.382 174.600 -0.457 0.000 1.148 369 S CA -0.695 56.966 58.200 -0.897 0.000 0.886 369 S CB 0.239 63.153 63.200 -0.476 0.000 1.109 369 S HN 0.456 nan 8.310 nan 0.000 0.458 370 W N 3.064 124.500 121.300 0.226 0.000 2.678 370 W HA 0.253 4.913 4.660 -0.000 0.000 0.256 370 W C 1.113 177.827 176.519 0.326 0.000 1.280 370 W CA -0.263 57.264 57.345 0.304 0.000 1.345 370 W CB 0.228 29.948 29.460 0.434 0.000 1.118 370 W HN 0.317 nan 8.180 nan 0.000 0.629 371 M N 1.734 121.566 119.600 0.387 0.000 2.228 371 M HA 0.069 4.549 4.480 -0.000 0.000 0.351 371 M C 0.664 177.097 176.300 0.222 0.000 1.233 371 M CA 0.496 55.951 55.300 0.260 0.000 1.129 371 M CB 0.726 33.407 32.600 0.135 0.000 1.604 371 M HN -0.175 nan 8.290 nan 0.000 0.457 372 K N 1.509 122.009 120.400 0.166 0.000 2.156 372 K HA 0.396 4.716 4.320 -0.000 0.000 0.242 372 K C -0.200 176.357 176.600 -0.071 0.000 1.033 372 K CA -0.310 55.986 56.287 0.015 0.000 0.878 372 K CB 0.435 32.865 32.500 -0.117 0.000 1.057 372 K HN 0.740 nan 8.250 nan 0.000 0.505 373 A N 2.499 125.246 122.820 -0.123 0.000 2.431 373 A HA 0.387 4.707 4.320 -0.000 0.000 0.318 373 A C -2.522 174.874 177.584 -0.314 0.000 1.330 373 A CA -1.738 50.194 52.037 -0.175 0.000 0.804 373 A CB 0.487 19.424 19.000 -0.105 0.000 1.135 373 A HN 0.284 nan 8.150 nan 0.000 0.483 374 P HA 0.505 nan 4.420 nan 0.000 0.280 374 P C -0.460 176.380 177.300 -0.767 0.000 1.244 374 P CA -0.231 62.337 63.100 -0.887 0.000 0.784 374 P CB 0.967 31.690 31.700 -1.629 0.000 0.913 375 R N 1.973 122.014 120.500 -0.765 0.000 2.855 375 R HA 0.525 4.865 4.340 -0.000 0.000 0.266 375 R C -1.495 174.708 176.300 -0.162 0.000 1.034 375 R CA -0.842 55.017 56.100 -0.402 0.000 0.944 375 R CB 1.642 31.611 30.300 -0.552 0.000 1.219 375 R HN 0.517 nan 8.270 nan 0.000 0.474 376 Y N 0.746 121.085 120.300 0.065 0.000 2.317 376 Y HA 0.188 4.738 4.550 0.000 0.000 0.325 376 Y C -0.317 175.714 175.900 0.218 0.000 1.066 376 Y CA -0.329 57.906 58.100 0.224 0.000 1.203 376 Y CB 0.795 39.410 38.460 0.258 0.000 1.127 376 Y HN 0.729 nan 8.280 nan 0.000 0.451 377 K N 4.351 124.781 120.400 0.050 0.000 3.069 377 K HA -0.224 4.096 4.320 -0.000 0.000 0.267 377 K C 0.841 177.552 176.600 0.185 0.000 1.082 377 K CA 1.174 57.502 56.287 0.070 0.000 0.782 377 K CB -1.450 31.029 32.500 -0.034 0.000 1.230 377 K HN 1.386 nan 8.250 nan 0.000 0.488 378 G N -0.301 108.698 108.800 0.331 0.000 2.136 378 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.242 378 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.242 378 G C -0.153 174.848 174.900 0.167 0.000 0.989 378 G CA 0.777 46.042 45.100 0.275 0.000 0.682 378 G HN 0.313 nan 8.290 nan 0.000 0.522 379 K N -0.049 120.452 120.400 0.168 0.000 2.318 379 K HA 0.757 5.077 4.320 -0.000 0.000 0.249 379 K C 0.441 177.124 176.600 0.139 0.000 0.942 379 K CA -0.168 56.194 56.287 0.125 0.000 0.808 379 K CB 1.880 34.454 32.500 0.124 0.000 1.189 379 K HN 0.501 nan 8.250 nan 0.000 0.428 380 A N 3.056 125.928 122.820 0.086 0.000 2.371 380 A HA 0.510 4.829 4.320 -0.000 0.000 0.257 380 A C -0.527 177.118 177.584 0.101 0.000 1.089 380 A CA -0.079 52.026 52.037 0.115 0.000 0.794 380 A CB 0.309 19.335 19.000 0.043 0.000 1.029 380 A HN 0.523 nan 8.150 nan 0.000 0.488 381 M N 1.538 121.241 119.600 0.172 0.000 2.326 381 M HA 0.318 4.798 4.480 -0.000 0.000 0.306 381 M C -0.345 175.954 176.300 -0.002 0.000 1.054 381 M CA -0.272 55.010 55.300 -0.030 0.000 0.922 381 M CB 1.587 34.010 32.600 -0.296 0.000 1.632 381 M HN 0.936 nan 8.290 nan 0.000 0.436 382 E N 2.805 122.963 120.200 -0.070 0.000 2.259 382 E HA 0.497 4.847 4.350 -0.000 0.000 0.281 382 E C -0.956 175.689 176.600 0.075 0.000 1.027 382 E CA -0.567 55.887 56.400 0.089 0.000 0.838 382 E CB 1.168 30.944 29.700 0.126 0.000 1.066 382 E HN 0.551 nan 8.360 nan 0.000 0.401 383 V N 1.427 121.400 119.914 0.098 0.000 3.019 383 V HA 1.005 5.125 4.120 -0.000 0.000 0.317 383 V C 0.380 176.537 176.094 0.106 0.000 1.094 383 V CA 0.312 62.612 62.300 0.001 0.000 1.000 383 V CB 1.019 32.737 31.823 -0.174 0.000 1.060 383 V HN 1.007 nan 8.190 nan 0.000 0.443 384 G N 2.199 111.039 108.800 0.066 0.000 2.362 384 G HA2 0.017 3.977 3.960 -0.000 0.000 0.517 384 G HA3 0.017 3.977 3.960 -0.000 0.000 0.517 384 G C -2.521 172.435 174.900 0.093 0.000 1.256 384 G CA -0.040 45.114 45.100 0.090 0.000 1.027 384 G HN 0.648 nan 8.290 nan 0.000 0.491 385 P HA -0.037 nan 4.420 nan 0.000 0.216 385 P C 2.248 179.555 177.300 0.010 0.000 1.153 385 P CA 1.576 64.725 63.100 0.081 0.000 0.858 385 P CB 0.077 31.769 31.700 -0.013 0.000 0.789 386 L N -0.631 120.580 121.223 -0.019 0.000 2.056 386 L HA -0.063 4.277 4.340 -0.000 0.000 0.207 386 L C 2.198 179.011 176.870 -0.095 0.000 1.078 386 L CA 1.923 56.710 54.840 -0.088 0.000 0.749 386 L CB -1.571 40.499 42.059 0.017 0.000 0.901 386 L HN -0.127 nan 8.230 nan 0.000 0.433 387 A N -0.173 122.679 122.820 0.055 0.000 1.841 387 A HA -0.259 4.061 4.320 -0.000 0.000 0.216 387 A C 2.426 179.985 177.584 -0.042 0.000 1.199 387 A CA 2.038 54.117 52.037 0.070 0.000 0.621 387 A CB -0.722 18.383 19.000 0.175 0.000 0.835 387 A HN 0.473 nan 8.150 nan 0.000 0.445 388 R N -1.190 119.297 120.500 -0.023 0.000 2.133 388 R HA -0.135 4.205 4.340 -0.000 0.000 0.247 388 R C 2.254 178.367 176.300 -0.311 0.000 1.151 388 R CA 1.900 57.948 56.100 -0.086 0.000 0.971 388 R CB -0.719 29.630 30.300 0.082 0.000 0.866 388 R HN 0.594 nan 8.270 nan 0.000 0.447 389 T N 0.156 114.560 114.554 -0.250 0.000 2.812 389 T HA -0.053 4.297 4.350 -0.000 0.000 0.264 389 T C 1.462 175.957 174.700 -0.342 0.000 1.042 389 T CA 1.088 62.990 62.100 -0.330 0.000 1.140 389 T CB -0.179 68.538 68.868 -0.252 0.000 0.870 389 T HN 0.148 nan 8.240 nan 0.000 0.445 390 F N 0.833 120.606 119.950 -0.294 0.000 2.146 390 F HA 0.068 4.595 4.527 0.000 0.000 0.298 390 F C 2.157 177.865 175.800 -0.155 0.000 1.096 390 F CA 0.713 58.566 58.000 -0.245 0.000 1.275 390 F CB -0.316 38.404 39.000 -0.466 0.000 1.008 390 F HN 0.084 nan 8.300 nan 0.000 0.480 391 I N -0.159 120.406 120.570 -0.007 0.000 2.163 391 I HA -0.355 3.815 4.170 -0.000 0.000 0.243 391 I C 2.650 178.700 176.117 -0.111 0.000 1.085 391 I CA 1.315 62.589 61.300 -0.042 0.000 1.347 391 I CB -0.746 37.217 38.000 -0.062 0.000 1.044 391 I HN 0.113 nan 8.210 nan 0.000 0.408 392 A N 0.003 122.652 122.820 -0.286 0.000 1.873 392 A HA -0.277 4.043 4.320 -0.000 0.000 0.215 392 A C 2.304 179.797 177.584 -0.152 0.000 1.186 392 A CA 1.456 53.264 52.037 -0.382 0.000 0.616 392 A CB -1.130 17.202 19.000 -1.113 0.000 0.823 392 A HN 0.475 nan 8.150 nan 0.000 0.442 393 Y N 0.822 120.992 120.300 -0.217 0.000 2.151 393 Y HA -0.224 4.326 4.550 -0.000 0.000 0.284 393 Y C 2.689 178.567 175.900 -0.036 0.000 1.166 393 Y CA 1.316 59.366 58.100 -0.084 0.000 1.163 393 Y CB -0.603 37.802 38.460 -0.091 0.000 0.974 393 Y HN 0.317 nan 8.280 nan 0.000 0.511 394 A N 0.035 122.853 122.820 -0.002 0.000 1.902 394 A HA -0.182 4.138 4.320 -0.000 0.000 0.217 394 A C 2.175 179.702 177.584 -0.095 0.000 1.181 394 A CA 1.840 53.845 52.037 -0.052 0.000 0.623 394 A CB -0.502 18.517 19.000 0.032 0.000 0.818 394 A HN 0.494 nan 8.150 nan 0.000 0.443 395 K N -1.500 118.855 120.400 -0.075 0.000 2.432 395 K HA 0.132 4.452 4.320 -0.000 0.000 0.196 395 K C 0.971 177.528 176.600 -0.071 0.000 1.038 395 K CA 0.536 56.787 56.287 -0.060 0.000 0.986 395 K CB -0.127 32.347 32.500 -0.042 0.000 0.782 395 K HN 0.726 nan 8.250 nan 0.000 0.485 396 G N 1.883 110.617 108.800 -0.110 0.000 2.132 396 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.228 396 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.228 396 G C -0.191 174.689 174.900 -0.033 0.000 1.000 396 G CA -0.313 44.725 45.100 -0.103 0.000 0.693 396 G HN 0.284 nan 8.290 nan 0.000 0.515 397 Q N 0.065 119.867 119.800 0.002 0.000 2.244 397 Q HA 0.124 4.464 4.340 -0.000 0.000 0.278 397 Q C -0.902 175.159 176.000 0.100 0.000 1.093 397 Q CA -0.771 55.078 55.803 0.076 0.000 0.916 397 Q CB 0.971 29.784 28.738 0.125 0.000 1.159 397 Q HN 0.241 nan 8.270 nan 0.000 0.384 398 P HA -0.158 nan 4.420 nan 0.000 0.216 398 P C 0.340 177.650 177.300 0.018 0.000 1.150 398 P CA 1.133 64.250 63.100 0.029 0.000 0.837 398 P CB 0.378 32.086 31.700 0.014 0.000 0.786 399 D N -1.530 118.878 120.400 0.013 0.000 2.103 399 D HA -0.082 4.558 4.640 -0.000 0.000 0.199 399 D C 1.877 178.094 176.300 -0.138 0.000 0.978 399 D CA 1.085 55.026 54.000 -0.098 0.000 0.829 399 D CB -0.883 39.815 40.800 -0.171 0.000 0.981 399 D HN 0.135 nan 8.370 nan 0.000 0.464 400 F N 1.605 121.496 119.950 -0.098 0.000 2.075 400 F HA -0.120 4.407 4.527 0.000 0.000 0.297 400 F C 2.425 178.239 175.800 0.024 0.000 1.113 400 F CA 1.073 59.020 58.000 -0.088 0.000 1.218 400 F CB -0.249 38.689 39.000 -0.104 0.000 0.984 400 F HN -0.152 nan 8.300 nan 0.000 0.472 401 K N 0.880 121.434 120.400 0.256 0.000 2.089 401 K HA -0.298 4.022 4.320 -0.000 0.000 0.210 401 K C 2.196 178.884 176.600 0.147 0.000 1.048 401 K CA 1.935 58.362 56.287 0.234 0.000 0.926 401 K CB -0.243 32.288 32.500 0.053 0.000 0.714 401 K HN 0.243 nan 8.250 nan 0.000 0.448 402 K N 0.130 120.554 120.400 0.040 0.000 1.991 402 K HA -0.075 4.245 4.320 -0.000 0.000 0.207 402 K C 2.027 178.591 176.600 -0.060 0.000 1.045 402 K CA 1.248 57.524 56.287 -0.019 0.000 0.937 402 K CB 0.007 32.474 32.500 -0.054 0.000 0.720 402 K HN -0.022 nan 8.250 nan 0.000 0.438 403 V N 0.987 120.832 119.914 -0.114 0.000 2.407 403 V HA -0.200 3.920 4.120 -0.000 0.000 0.248 403 V C 2.310 178.304 176.094 -0.167 0.000 1.055 403 V CA 1.330 63.528 62.300 -0.170 0.000 1.049 403 V CB -0.023 31.646 31.823 -0.256 0.000 0.662 403 V HN 0.183 nan 8.190 nan 0.000 0.455 404 V N -0.033 119.794 119.914 -0.145 0.000 2.307 404 V HA -0.232 3.888 4.120 -0.000 0.000 0.245 404 V C 2.293 178.268 176.094 -0.198 0.000 1.045 404 V CA 2.135 64.300 62.300 -0.224 0.000 1.024 404 V CB -0.609 31.006 31.823 -0.347 0.000 0.651 404 V HN 0.531 nan 8.190 nan 0.000 0.449 405 D N -0.544 119.809 120.400 -0.079 0.000 2.144 405 D HA -0.178 4.462 4.640 -0.000 0.000 0.199 405 D C 2.069 178.324 176.300 -0.074 0.000 0.984 405 D CA 1.128 55.105 54.000 -0.039 0.000 0.834 405 D CB -0.268 40.559 40.800 0.045 0.000 0.955 405 D HN 0.274 nan 8.370 nan 0.000 0.465 406 M N 0.604 120.150 119.600 -0.090 0.000 2.086 406 M HA -0.145 4.335 4.480 -0.000 0.000 0.261 406 M C 1.936 178.163 176.300 -0.121 0.000 1.067 406 M CA 1.210 56.449 55.300 -0.101 0.000 1.116 406 M CB -0.457 32.075 32.600 -0.114 0.000 1.348 406 M HN -0.126 nan 8.290 nan 0.000 0.407 407 V N 1.324 121.146 119.914 -0.153 0.000 2.307 407 V HA -0.276 3.844 4.120 -0.000 0.000 0.245 407 V C 2.600 178.604 176.094 -0.149 0.000 1.045 407 V CA 1.519 63.719 62.300 -0.167 0.000 1.024 407 V CB -0.707 30.992 31.823 -0.207 0.000 0.651 407 V HN 0.519 nan 8.190 nan 0.000 0.449 408 L N 0.343 121.472 121.223 -0.156 0.000 2.265 408 L HA -0.063 4.277 4.340 -0.000 0.000 0.215 408 L C 2.479 179.294 176.870 -0.091 0.000 1.117 408 L CA 1.361 56.123 54.840 -0.129 0.000 0.782 408 L CB -1.067 40.909 42.059 -0.139 0.000 0.914 408 L HN 0.473 nan 8.230 nan 0.000 0.441 409 G N -0.121 108.627 108.800 -0.087 0.000 2.396 409 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.214 409 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.214 409 G C 1.728 176.585 174.900 -0.073 0.000 1.166 409 G CA 0.063 45.122 45.100 -0.069 0.000 0.793 409 G HN 0.144 nan 8.290 nan 0.000 0.533 410 K N 0.319 120.667 120.400 -0.087 0.000 2.097 410 K HA 0.107 4.427 4.320 -0.000 0.000 0.205 410 K C 2.103 178.650 176.600 -0.089 0.000 1.050 410 K CA 0.553 56.787 56.287 -0.090 0.000 0.938 410 K CB -0.259 32.179 32.500 -0.103 0.000 0.718 410 K HN 0.350 nan 8.250 nan 0.000 0.442 411 L N 1.575 122.745 121.223 -0.088 0.000 2.628 411 L HA 0.089 4.429 4.340 -0.000 0.000 0.229 411 L C -0.093 176.741 176.870 -0.061 0.000 1.137 411 L CA -0.242 54.551 54.840 -0.078 0.000 0.909 411 L CB -0.327 41.686 42.059 -0.077 0.000 1.137 411 L HN -0.032 nan 8.230 nan 0.000 0.470 412 S N 0.697 116.362 115.700 -0.058 0.000 3.280 412 S HA -0.123 4.347 4.470 -0.000 0.000 0.349 412 S C 0.038 174.618 174.600 -0.033 0.000 0.936 412 S CA 0.623 58.797 58.200 -0.043 0.000 1.301 412 S CB -2.175 61.001 63.200 -0.039 0.000 0.907 412 S HN 0.422 nan 8.310 nan 0.000 0.516 413 V N -2.490 117.401 119.914 -0.038 0.000 2.962 413 V HA 0.936 5.056 4.120 -0.000 0.000 0.313 413 V C -2.380 173.698 176.094 -0.028 0.000 1.099 413 V CA -2.676 59.609 62.300 -0.025 0.000 0.971 413 V CB 2.010 33.820 31.823 -0.023 0.000 1.028 413 V HN 0.154 nan 8.190 nan 0.000 0.430 414 P HA 0.325 nan 4.420 nan 0.000 0.274 414 P C 0.794 178.085 177.300 -0.015 0.000 1.237 414 P CA 0.184 63.285 63.100 0.003 0.000 0.793 414 P CB 1.347 33.064 31.700 0.028 0.000 0.977 415 A N 1.727 124.542 122.820 -0.010 0.000 2.024 415 A HA -0.178 4.142 4.320 -0.000 0.000 0.220 415 A C 1.915 179.496 177.584 -0.005 0.000 1.164 415 A CA 2.354 54.357 52.037 -0.056 0.000 0.643 415 A CB -1.915 17.099 19.000 0.023 0.000 0.806 415 A HN 0.706 nan 8.150 nan 0.000 0.451 416 T N -2.476 112.107 114.554 0.049 0.000 2.962 416 T HA 0.148 4.498 4.350 -0.000 0.000 0.270 416 T C 1.750 176.504 174.700 0.090 0.000 1.088 416 T CA 1.196 63.353 62.100 0.094 0.000 1.127 416 T CB -0.423 68.541 68.868 0.159 0.000 0.883 416 T HN 0.577 nan 8.240 nan 0.000 0.493 417 A N 1.379 124.228 122.820 0.048 0.000 2.125 417 A HA 0.231 4.551 4.320 -0.000 0.000 0.219 417 A C 2.270 179.891 177.584 0.061 0.000 1.156 417 A CA 0.762 52.834 52.037 0.058 0.000 0.671 417 A CB -0.811 18.204 19.000 0.026 0.000 0.794 417 A HN 0.588 nan 8.150 nan 0.000 0.459 418 L N -0.733 120.494 121.223 0.007 0.000 2.291 418 L HA -0.049 4.291 4.340 -0.000 0.000 0.214 418 L C 0.499 177.491 176.870 0.203 0.000 1.120 418 L CA 0.125 54.953 54.840 -0.020 0.000 0.799 418 L CB -0.500 41.364 42.059 -0.324 0.000 0.925 418 L HN 0.369 nan 8.230 nan 0.000 0.446 419 H N 1.452 120.746 119.070 0.374 0.000 3.392 419 H HA 0.238 4.794 4.556 -0.000 0.000 0.253 419 H C 0.229 175.683 175.328 0.211 0.000 1.682 419 H CA 0.345 56.578 56.048 0.308 0.000 1.535 419 H CB -0.389 29.472 29.762 0.166 0.000 1.823 419 H HN 0.285 nan 8.280 nan 0.000 0.576 420 S N -0.380 115.501 115.700 0.302 0.000 2.701 420 S HA 0.035 4.505 4.470 -0.000 0.000 0.267 420 S C 0.789 175.516 174.600 0.211 0.000 1.034 420 S CA -0.475 57.864 58.200 0.232 0.000 0.867 420 S CB 0.754 64.079 63.200 0.208 0.000 1.123 420 S HN 0.173 nan 8.310 nan 0.000 0.470 421 T N 0.981 115.706 114.554 0.286 0.000 2.821 421 T HA 0.006 4.356 4.350 -0.000 0.000 0.267 421 T C 1.734 176.602 174.700 0.281 0.000 1.046 421 T CA 1.640 63.938 62.100 0.331 0.000 1.139 421 T CB -0.543 68.682 68.868 0.594 0.000 0.871 421 T HN 0.507 nan 8.240 nan 0.000 0.454 422 L N 1.395 122.782 121.223 0.274 0.000 2.027 422 L HA 0.134 4.474 4.340 -0.000 0.000 0.206 422 L C 2.588 179.478 176.870 0.033 0.000 1.074 422 L CA 1.895 56.800 54.840 0.108 0.000 0.745 422 L CB -1.253 40.882 42.059 0.127 0.000 0.898 422 L HN 0.291 nan 8.230 nan 0.000 0.433 423 G N -0.933 107.898 108.800 0.051 0.000 2.476 423 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.218 423 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.218 423 G C 1.862 176.731 174.900 -0.051 0.000 1.164 423 G CA 0.974 46.059 45.100 -0.026 0.000 0.768 423 G HN 0.394 nan 8.290 nan 0.000 0.560 424 R N -0.419 120.085 120.500 0.006 0.000 2.092 424 R HA -0.036 4.304 4.340 -0.000 0.000 0.231 424 R C 2.721 179.013 176.300 -0.014 0.000 1.119 424 R CA 1.681 57.757 56.100 -0.040 0.000 0.970 424 R CB -0.338 29.889 30.300 -0.121 0.000 0.864 424 R HN 0.349 nan 8.270 nan 0.000 0.440 425 T N 0.434 115.027 114.554 0.065 0.000 2.777 425 T HA -0.072 4.278 4.350 -0.000 0.000 0.266 425 T C 1.780 176.480 174.700 -0.001 0.000 1.040 425 T CA 1.235 63.411 62.100 0.127 0.000 1.141 425 T CB -0.218 68.742 68.868 0.153 0.000 0.868 425 T HN 0.407 nan 8.240 nan 0.000 0.444 426 A N 1.736 124.504 122.820 -0.086 0.000 1.858 426 A HA 0.166 4.486 4.320 -0.000 0.000 0.216 426 A C 2.702 180.172 177.584 -0.189 0.000 1.190 426 A CA 1.832 53.768 52.037 -0.167 0.000 0.617 426 A CB -1.299 17.591 19.000 -0.183 0.000 0.827 426 A HN 0.492 nan 8.150 nan 0.000 0.443 427 A N -0.366 122.347 122.820 -0.179 0.000 1.997 427 A HA -0.271 4.049 4.320 -0.000 0.000 0.221 427 A C 2.225 179.732 177.584 -0.127 0.000 1.172 427 A CA 2.108 54.042 52.037 -0.172 0.000 0.645 427 A CB -0.548 18.343 19.000 -0.183 0.000 0.813 427 A HN 0.593 nan 8.150 nan 0.000 0.454 428 R N -0.926 119.489 120.500 -0.142 0.000 2.092 428 R HA -0.065 4.275 4.340 -0.000 0.000 0.231 428 R C 2.237 178.440 176.300 -0.160 0.000 1.119 428 R CA 1.355 57.320 56.100 -0.224 0.000 0.970 428 R CB -0.527 29.635 30.300 -0.231 0.000 0.864 428 R HN 0.466 nan 8.270 nan 0.000 0.440 429 G N 0.720 109.380 108.800 -0.232 0.000 2.408 429 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.215 429 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.215 429 G C 1.439 176.102 174.900 -0.395 0.000 1.156 429 G CA 0.417 45.188 45.100 -0.548 0.000 0.793 429 G HN 0.207 nan 8.290 nan 0.000 0.535 430 I N 1.536 121.933 120.570 -0.288 0.000 2.091 430 I HA -0.260 3.910 4.170 -0.000 0.000 0.239 430 I C 2.940 178.918 176.117 -0.232 0.000 1.061 430 I CA 2.045 63.187 61.300 -0.263 0.000 1.317 430 I CB -0.343 37.520 38.000 -0.228 0.000 1.031 430 I HN 0.469 nan 8.210 nan 0.000 0.401 431 E N 0.535 120.686 120.200 -0.083 0.000 2.204 431 E HA -0.163 4.187 4.350 -0.000 0.000 0.194 431 E C 1.861 178.591 176.600 0.216 0.000 0.989 431 E CA 1.626 58.057 56.400 0.051 0.000 0.824 431 E CB -0.397 29.540 29.700 0.396 0.000 0.756 431 E HN 0.385 nan 8.360 nan 0.000 0.477 432 T N 1.202 115.888 114.554 0.221 0.000 2.708 432 T HA -0.121 4.229 4.350 -0.000 0.000 0.266 432 T C 2.055 176.796 174.700 0.069 0.000 1.037 432 T CA 1.562 63.819 62.100 0.262 0.000 1.146 432 T CB -0.356 68.693 68.868 0.303 0.000 0.865 432 T HN 0.425 nan 8.240 nan 0.000 0.435 433 A N 1.296 124.062 122.820 -0.090 0.000 1.883 433 A HA -0.062 4.258 4.320 -0.000 0.000 0.217 433 A C 2.308 179.804 177.584 -0.147 0.000 1.186 433 A CA 1.377 53.326 52.037 -0.147 0.000 0.624 433 A CB -0.811 18.053 19.000 -0.227 0.000 0.822 433 A HN 0.542 nan 8.150 nan 0.000 0.444 434 I N -0.652 119.805 120.570 -0.189 0.000 2.315 434 I HA -0.175 3.995 4.170 -0.000 0.000 0.248 434 I C 2.327 178.382 176.117 -0.103 0.000 1.117 434 I CA 0.857 62.019 61.300 -0.229 0.000 1.404 434 I CB -0.393 37.307 38.000 -0.500 0.000 1.071 434 I HN 0.144 nan 8.210 nan 0.000 0.419 435 V N 0.408 120.352 119.914 0.050 0.000 2.287 435 V HA -0.348 3.772 4.120 -0.000 0.000 0.248 435 V C 2.665 178.684 176.094 -0.124 0.000 1.053 435 V CA 1.937 64.236 62.300 -0.002 0.000 1.027 435 V CB -0.576 31.317 31.823 0.116 0.000 0.646 435 V HN 0.566 nan 8.190 nan 0.000 0.447 436 c N 0.196 118.760 118.600 -0.060 0.000 2.401 436 c HA -0.190 4.380 4.570 -0.000 0.000 0.276 436 c C 2.987 176.977 174.090 -0.168 0.000 1.233 436 c CA 1.065 57.343 56.329 -0.084 0.000 1.753 436 c CB -1.300 41.184 42.510 -0.043 0.000 2.029 436 c HN 0.642 nan 8.230 nan 0.000 0.478 437 A N -0.245 122.455 122.820 -0.201 0.000 2.168 437 A HA -0.076 4.244 4.320 -0.000 0.000 0.215 437 A C 1.753 179.130 177.584 -0.345 0.000 1.152 437 A CA 1.254 53.152 52.037 -0.232 0.000 0.716 437 A CB -0.406 18.468 19.000 -0.209 0.000 0.794 437 A HN 0.769 nan 8.150 nan 0.000 0.465 438 N N -1.130 117.249 118.700 -0.533 0.000 2.197 438 N HA 0.079 4.819 4.740 -0.000 0.000 0.201 438 N C 1.170 176.115 175.510 -0.942 0.000 1.148 438 N CA -0.012 52.465 53.050 -0.955 0.000 0.883 438 N CB 0.116 37.594 38.487 -1.682 0.000 1.012 438 N HN 0.267 nan 8.380 nan 0.000 0.507 439 M N 1.230 120.556 119.600 -0.456 0.000 2.080 439 M HA -0.159 4.321 4.480 -0.000 0.000 0.260 439 M C 2.098 178.362 176.300 -0.061 0.000 1.068 439 M CA 1.521 56.747 55.300 -0.122 0.000 1.109 439 M CB -0.967 31.591 32.600 -0.071 0.000 1.342 439 M HN 0.201 nan 8.290 nan 0.000 0.405 440 E N 0.465 120.589 120.200 -0.126 0.000 2.072 440 E HA -0.217 4.133 4.350 -0.000 0.000 0.191 440 E C 2.096 178.670 176.600 -0.044 0.000 0.985 440 E CA 1.422 57.784 56.400 -0.063 0.000 0.801 440 E CB -0.024 29.629 29.700 -0.078 0.000 0.750 440 E HN 0.446 nan 8.360 nan 0.000 0.452 441 K N -0.198 120.123 120.400 -0.131 0.000 2.057 441 K HA -0.176 4.144 4.320 -0.000 0.000 0.207 441 K C 1.803 178.442 176.600 0.066 0.000 1.049 441 K CA 1.518 57.754 56.287 -0.085 0.000 0.931 441 K CB -0.222 32.170 32.500 -0.180 0.000 0.714 441 K HN 0.245 nan 8.250 nan 0.000 0.440 442 W N 1.226 122.521 121.300 -0.008 0.000 2.381 442 W HA -0.044 4.616 4.660 -0.000 0.000 0.301 442 W C 2.029 178.568 176.519 0.034 0.000 1.205 442 W CA 0.455 57.804 57.345 0.006 0.000 1.285 442 W CB -0.719 28.733 29.460 -0.013 0.000 1.133 442 W HN 0.078 nan 8.180 nan 0.000 0.521 443 I N 0.324 121.065 120.570 0.284 0.000 2.163 443 I HA -0.313 3.857 4.170 -0.000 0.000 0.240 443 I C 2.552 178.754 176.117 0.142 0.000 1.081 443 I CA 1.625 63.056 61.300 0.220 0.000 1.353 443 I CB -0.630 37.505 38.000 0.225 0.000 1.054 443 I HN -0.155 nan 8.210 nan 0.000 0.407 444 K N 1.061 121.527 120.400 0.109 0.000 2.113 444 K HA -0.295 4.025 4.320 -0.000 0.000 0.208 444 K C 2.094 178.741 176.600 0.080 0.000 1.047 444 K CA 1.962 58.295 56.287 0.076 0.000 0.928 444 K CB -0.142 32.388 32.500 0.049 0.000 0.716 444 K HN 0.312 nan 8.250 nan 0.000 0.446 445 E N 0.355 120.619 120.200 0.106 0.000 2.058 445 E HA -0.256 4.094 4.350 -0.000 0.000 0.194 445 E C 2.021 178.668 176.600 0.078 0.000 0.997 445 E CA 1.571 58.031 56.400 0.099 0.000 0.801 445 E CB -0.104 29.681 29.700 0.141 0.000 0.746 445 E HN 0.422 nan 8.360 nan 0.000 0.450 446 M N -0.204 119.446 119.600 0.082 0.000 2.349 446 M HA -0.006 4.474 4.480 -0.000 0.000 0.266 446 M C 2.098 178.424 176.300 0.043 0.000 1.076 446 M CA 1.262 56.593 55.300 0.051 0.000 1.126 446 M CB 0.084 32.705 32.600 0.035 0.000 1.392 446 M HN 0.207 nan 8.290 nan 0.000 0.440 447 A N 0.484 123.335 122.820 0.053 0.000 1.898 447 A HA -0.172 4.148 4.320 -0.000 0.000 0.216 447 A C 1.581 179.189 177.584 0.040 0.000 1.181 447 A CA 2.073 54.136 52.037 0.044 0.000 0.620 447 A CB -0.740 18.291 19.000 0.051 0.000 0.819 447 A HN 0.509 nan 8.150 nan 0.000 0.442 448 D N -0.836 119.590 120.400 0.043 0.000 2.103 448 D HA -0.075 4.565 4.640 -0.000 0.000 0.199 448 D C 2.274 178.595 176.300 0.036 0.000 0.978 448 D CA 1.514 55.537 54.000 0.037 0.000 0.829 448 D CB -0.466 40.357 40.800 0.038 0.000 0.981 448 D HN 0.352 nan 8.370 nan 0.000 0.464 449 S N -0.313 115.410 115.700 0.039 0.000 2.368 449 S HA -0.104 4.366 4.470 -0.000 0.000 0.225 449 S C 2.068 176.692 174.600 0.039 0.000 1.030 449 S CA 1.747 59.970 58.200 0.038 0.000 0.999 449 S CB -0.543 62.679 63.200 0.037 0.000 0.844 449 S HN 0.335 nan 8.310 nan 0.000 0.459 450 G N 0.027 108.850 108.800 0.039 0.000 2.484 450 G HA2 0.120 4.080 3.960 -0.000 0.000 0.218 450 G HA3 0.120 4.080 3.960 -0.000 0.000 0.218 450 G C 1.471 176.398 174.900 0.045 0.000 1.130 450 G CA 0.765 45.892 45.100 0.045 0.000 0.784 450 G HN 0.640 nan 8.290 nan 0.000 0.543 451 A N 0.152 122.995 122.820 0.038 0.000 2.016 451 A HA 0.226 4.546 4.320 -0.000 0.000 0.217 451 A C 2.248 179.850 177.584 0.031 0.000 1.162 451 A CA 1.605 53.661 52.037 0.033 0.000 0.662 451 A CB -0.104 18.913 19.000 0.028 0.000 0.812 451 A HN 0.204 nan 8.150 nan 0.000 0.450 452 K N -0.122 120.297 120.400 0.032 0.000 2.076 452 K HA 0.017 4.337 4.320 -0.000 0.000 0.204 452 K C -0.351 176.267 176.600 0.030 0.000 1.051 452 K CA 1.325 57.629 56.287 0.028 0.000 0.949 452 K CB 0.031 32.548 32.500 0.028 0.000 0.726 452 K HN 0.558 nan 8.250 nan 0.000 0.443 453 D N -1.187 119.236 120.400 0.039 0.000 2.419 453 D HA 0.014 4.654 4.640 -0.000 0.000 0.219 453 D C -1.008 175.331 176.300 0.065 0.000 1.349 453 D CA -0.308 53.719 54.000 0.044 0.000 0.964 453 D CB -0.013 40.811 40.800 0.040 0.000 1.463 453 D HN 0.180 nan 8.370 nan 0.000 0.573 454 N N 1.917 120.666 118.700 0.083 0.000 2.375 454 N HA 0.030 4.770 4.740 -0.000 0.000 0.220 454 N C -0.416 175.229 175.510 0.225 0.000 1.170 454 N CA -0.479 52.657 53.050 0.144 0.000 0.833 454 N CB 0.210 38.797 38.487 0.166 0.000 1.069 454 N HN 0.152 nan 8.380 nan 0.000 0.479 455 T N 1.230 115.878 114.554 0.157 0.000 2.871 455 T HA -0.004 4.346 4.350 -0.000 0.000 0.296 455 T C 0.626 175.411 174.700 0.142 0.000 0.998 455 T CA -0.033 62.169 62.100 0.170 0.000 1.162 455 T CB 1.201 70.128 68.868 0.098 0.000 0.947 455 T HN 0.252 nan 8.240 nan 0.000 0.536 456 L N 3.155 124.464 121.223 0.142 0.000 3.128 456 L HA 0.457 4.797 4.340 -0.000 0.000 0.277 456 L C -0.063 176.779 176.870 -0.047 0.000 1.171 456 L CA 0.195 55.014 54.840 -0.036 0.000 1.008 456 L CB 0.654 42.518 42.059 -0.325 0.000 1.442 456 L HN 0.741 nan 8.230 nan 0.000 0.584 457 C N 0.673 119.998 119.300 0.040 0.000 2.551 457 C HA 0.849 5.309 4.460 -0.000 0.000 0.332 457 C C 0.294 175.346 174.990 0.103 0.000 1.139 457 C CA -0.441 58.610 59.018 0.055 0.000 1.328 457 C CB 0.372 28.158 27.740 0.077 0.000 1.903 457 C HN 0.485 nan 8.230 nan 0.000 0.459 458 A N 5.048 127.930 122.820 0.103 0.000 2.264 458 A HA 0.690 5.010 4.320 -0.000 0.000 0.304 458 A C -0.339 177.375 177.584 0.216 0.000 1.100 458 A CA -0.414 51.699 52.037 0.127 0.000 0.839 458 A CB 0.516 19.572 19.000 0.092 0.000 1.121 458 A HN 0.893 nan 8.150 nan 0.000 0.496 459 K N 1.067 121.566 120.400 0.165 0.000 2.237 459 K HA 0.392 4.712 4.320 -0.000 0.000 0.270 459 K C -0.697 176.047 176.600 0.241 0.000 1.015 459 K CA 0.114 56.487 56.287 0.143 0.000 0.949 459 K CB 0.737 33.266 32.500 0.047 0.000 0.976 459 K HN 0.765 nan 8.250 nan 0.000 0.472 460 W N 1.032 122.335 121.300 0.005 0.000 3.005 460 W HA 0.417 5.077 4.660 -0.000 0.000 0.343 460 W C -1.457 175.065 176.519 0.004 0.000 1.243 460 W CA -0.735 56.611 57.345 0.002 0.000 1.186 460 W CB 0.737 30.195 29.460 -0.002 0.000 1.453 460 W HN 0.481 nan 8.180 nan 0.000 0.575 461 E N 1.563 121.876 120.200 0.188 0.000 2.293 461 E HA 0.378 4.728 4.350 -0.000 0.000 0.270 461 E C -1.180 175.562 176.600 0.237 0.000 0.879 461 E CA -1.344 55.051 56.400 -0.008 0.000 0.756 461 E CB 3.191 32.884 29.700 -0.010 0.000 1.208 461 E HN 0.291 nan 8.360 nan 0.000 0.428 462 M N 4.538 124.218 119.600 0.133 0.000 2.143 462 M HA 0.236 4.716 4.480 -0.000 0.000 0.348 462 M C -2.430 173.949 176.300 0.131 0.000 1.375 462 M CA -1.856 53.600 55.300 0.259 0.000 1.124 462 M CB 0.440 33.182 32.600 0.236 0.000 1.669 462 M HN 0.186 nan 8.290 nan 0.000 0.469 463 P HA 0.120 nan 4.420 nan 0.000 0.274 463 P C -0.138 177.198 177.300 0.060 0.000 1.237 463 P CA -0.135 63.009 63.100 0.073 0.000 0.793 463 P CB 0.693 32.431 31.700 0.064 0.000 0.977 464 E N 0.238 120.462 120.200 0.039 0.000 2.047 464 E HA -0.120 4.229 4.350 -0.000 0.000 0.191 464 E C 0.425 177.043 176.600 0.030 0.000 0.987 464 E CA 1.345 57.764 56.400 0.031 0.000 0.799 464 E CB 0.362 30.074 29.700 0.020 0.000 0.752 464 E HN 0.603 nan 8.360 nan 0.000 0.449 465 E N -0.460 119.753 120.200 0.023 0.000 2.314 465 E HA 0.414 4.764 4.350 -0.000 0.000 0.272 465 E C -1.263 175.341 176.600 0.007 0.000 0.884 465 E CA -0.392 56.017 56.400 0.014 0.000 0.753 465 E CB 1.855 31.557 29.700 0.003 0.000 1.213 465 E HN -0.018 nan 8.360 nan 0.000 0.432 466 S N 2.078 117.777 115.700 -0.002 0.000 2.683 466 S HA 0.403 4.873 4.470 -0.000 0.000 0.264 466 S C -2.171 172.406 174.600 -0.037 0.000 1.066 466 S CA -0.782 57.407 58.200 -0.019 0.000 0.846 466 S CB 0.805 64.006 63.200 0.002 0.000 1.114 466 S HN 0.606 nan 8.310 nan 0.000 0.476 467 K N 0.326 120.686 120.400 -0.067 0.000 2.532 467 K HA 0.819 5.139 4.320 -0.000 0.000 0.265 467 K C -0.423 176.179 176.600 0.004 0.000 0.948 467 K CA -0.874 55.371 56.287 -0.071 0.000 0.842 467 K CB 1.579 33.878 32.500 -0.334 0.000 1.392 467 K HN 0.903 nan 8.250 nan 0.000 0.436 468 G N 0.260 109.139 108.800 0.131 0.000 2.692 468 G HA2 0.555 4.515 3.960 -0.000 0.000 0.291 468 G HA3 0.555 4.515 3.960 -0.000 0.000 0.291 468 G C -1.960 172.996 174.900 0.093 0.000 1.423 468 G CA -0.731 44.430 45.100 0.101 0.000 0.843 468 G HN 0.526 nan 8.290 nan 0.000 0.486 469 V N -0.031 119.815 119.914 -0.112 0.000 2.638 469 V HA 0.896 5.016 4.120 -0.000 0.000 0.306 469 V C 0.095 175.878 176.094 -0.518 0.000 1.052 469 V CA 0.149 62.149 62.300 -0.501 0.000 0.885 469 V CB 1.715 33.009 31.823 -0.881 0.000 0.999 469 V HN 1.410 nan 8.190 nan 0.000 0.424 470 G N 6.478 114.927 108.800 -0.584 0.000 2.416 470 G HA2 0.677 4.637 3.960 -0.000 0.000 0.324 470 G HA3 0.677 4.637 3.960 -0.000 0.000 0.324 470 G C -1.274 173.262 174.900 -0.606 0.000 1.194 470 G CA -0.668 44.123 45.100 -0.515 0.000 0.922 470 G HN 0.802 nan 8.290 nan 0.000 0.467 471 L N 1.332 122.183 121.223 -0.619 0.000 2.334 471 L HA 0.857 5.197 4.340 -0.000 0.000 0.276 471 L C 0.242 176.797 176.870 -0.525 0.000 1.014 471 L CA -0.888 53.593 54.840 -0.599 0.000 0.815 471 L CB 2.092 43.732 42.059 -0.698 0.000 1.268 471 L HN 0.665 nan 8.230 nan 0.000 0.428 472 A N 1.485 124.194 122.820 -0.185 0.000 2.606 472 A HA 0.597 4.917 4.320 -0.000 0.000 0.293 472 A C -1.804 175.846 177.584 0.110 0.000 1.082 472 A CA -0.556 51.408 52.037 -0.121 0.000 0.685 472 A CB 1.840 20.699 19.000 -0.236 0.000 1.284 472 A HN 0.660 nan 8.150 nan 0.000 0.408 473 D N 1.072 121.530 120.400 0.096 0.000 2.454 473 D HA 0.590 5.230 4.640 -0.000 0.000 0.225 473 D C 0.443 176.840 176.300 0.162 0.000 1.081 473 D CA 0.476 54.556 54.000 0.133 0.000 0.864 473 D CB 1.323 42.235 40.800 0.186 0.000 1.040 473 D HN 0.836 nan 8.370 nan 0.000 0.517 474 A N 3.882 126.760 122.820 0.096 0.000 2.259 474 A HA 0.433 4.753 4.320 -0.000 0.000 0.278 474 A C -1.336 176.241 177.584 -0.012 0.000 1.107 474 A CA -0.970 51.118 52.037 0.085 0.000 0.828 474 A CB 0.169 19.168 19.000 -0.002 0.000 1.111 474 A HN 0.393 nan 8.150 nan 0.000 0.498 475 P HA -0.143 nan 4.420 nan 0.000 0.217 475 P C 1.077 178.367 177.300 -0.017 0.000 1.148 475 P CA 1.534 64.402 63.100 -0.387 0.000 0.834 475 P CB 0.095 31.622 31.700 -0.288 0.000 0.783 476 R N -2.053 118.465 120.500 0.030 0.000 2.280 476 R HA 0.382 4.722 4.340 -0.000 0.000 0.195 476 R C 1.081 177.432 176.300 0.087 0.000 0.935 476 R CA 0.529 56.675 56.100 0.077 0.000 1.033 476 R CB 0.325 30.687 30.300 0.103 0.000 0.964 476 R HN 0.218 nan 8.270 nan 0.000 0.489 477 G N -0.301 108.538 108.800 0.065 0.000 2.302 477 G HA2 0.104 4.064 3.960 -0.000 0.000 0.276 477 G HA3 0.104 4.064 3.960 -0.000 0.000 0.276 477 G C -1.451 173.431 174.900 -0.029 0.000 1.316 477 G CA -0.644 44.471 45.100 0.026 0.000 0.988 477 G HN 0.149 nan 8.290 nan 0.000 0.479 478 A N -0.218 122.470 122.820 -0.220 0.000 2.496 478 A HA 0.508 4.828 4.320 -0.000 0.000 0.278 478 A C 0.127 177.671 177.584 -0.068 0.000 1.137 478 A CA 0.588 52.329 52.037 -0.495 0.000 0.805 478 A CB -0.080 18.108 19.000 -1.352 0.000 1.077 478 A HN 1.909 nan 8.150 nan 0.000 0.513 479 L N 3.746 125.094 121.223 0.209 0.000 2.309 479 L HA 0.728 5.068 4.340 -0.000 0.000 0.282 479 L C 0.191 177.312 176.870 0.417 0.000 1.036 479 L CA 0.334 55.339 54.840 0.275 0.000 0.806 479 L CB 1.724 43.796 42.059 0.022 0.000 1.220 479 L HN 0.682 nan 8.230 nan 0.000 0.429 480 S N 2.629 118.573 115.700 0.408 0.000 2.548 480 S HA 0.594 5.064 4.470 -0.000 0.000 0.276 480 S C -0.969 173.731 174.600 0.166 0.000 1.129 480 S CA -0.781 57.478 58.200 0.099 0.000 0.931 480 S CB 0.912 64.178 63.200 0.110 0.000 1.068 480 S HN 0.751 nan 8.310 nan 0.000 0.480 481 H N 0.810 119.634 119.070 -0.410 0.000 2.495 481 H HA 0.480 5.036 4.556 -0.000 0.000 0.348 481 H C -1.511 173.416 175.328 -0.669 0.000 1.113 481 H CA -0.709 55.149 56.048 -0.316 0.000 1.195 481 H CB 1.277 30.954 29.762 -0.142 0.000 1.521 481 H HN 0.625 nan 8.280 nan 0.000 0.509 482 W N 4.021 125.053 121.300 -0.448 0.000 2.683 482 W HA 0.490 5.150 4.660 -0.000 0.000 0.329 482 W C -0.721 175.488 176.519 -0.516 0.000 1.037 482 W CA -0.583 56.511 57.345 -0.419 0.000 1.232 482 W CB 1.185 30.380 29.460 -0.442 0.000 1.390 482 W HN 0.319 nan 8.180 nan 0.000 0.465 483 I N 3.330 123.850 120.570 -0.084 0.000 2.509 483 I HA 0.531 4.701 4.170 -0.000 0.000 0.293 483 I C -0.452 175.747 176.117 0.137 0.000 1.020 483 I CA -1.244 60.000 61.300 -0.094 0.000 1.088 483 I CB 1.304 39.222 38.000 -0.137 0.000 1.267 483 I HN 0.390 nan 8.210 nan 0.000 0.430 484 R N 7.709 128.280 120.500 0.119 0.000 2.343 484 R HA 0.575 4.915 4.340 -0.000 0.000 0.320 484 R C -1.078 175.266 176.300 0.072 0.000 0.956 484 R CA -0.724 55.422 56.100 0.077 0.000 0.836 484 R CB 1.779 32.124 30.300 0.075 0.000 1.151 484 R HN 0.563 nan 8.270 nan 0.000 0.450 485 I N 2.721 123.320 120.570 0.049 0.000 2.385 485 I HA 0.325 4.495 4.170 -0.000 0.000 0.294 485 I C 0.008 176.146 176.117 0.036 0.000 0.988 485 I CA -0.390 60.942 61.300 0.054 0.000 1.265 485 I CB 1.423 39.457 38.000 0.057 0.000 1.388 485 I HN 0.336 nan 8.210 nan 0.000 0.480 486 K N 3.851 124.274 120.400 0.038 0.000 2.553 486 K HA 0.453 4.773 4.320 -0.000 0.000 0.250 486 K C 0.191 176.809 176.600 0.030 0.000 0.953 486 K CA -0.271 56.032 56.287 0.028 0.000 0.800 486 K CB 1.792 34.306 32.500 0.023 0.000 1.243 486 K HN 0.796 nan 8.250 nan 0.000 0.435 487 G N 3.655 112.471 108.800 0.026 0.000 2.225 487 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.267 487 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.267 487 G C 0.128 175.049 174.900 0.034 0.000 1.024 487 G CA 0.863 45.979 45.100 0.026 0.000 0.784 487 G HN 0.834 nan 8.290 nan 0.000 0.507 488 K N -2.596 117.831 120.400 0.044 0.000 3.407 488 K HA -0.190 4.130 4.320 -0.000 0.000 0.312 488 K C 0.660 177.297 176.600 0.062 0.000 1.302 488 K CA 1.845 58.168 56.287 0.060 0.000 0.931 488 K CB -0.631 31.902 32.500 0.056 0.000 1.257 488 K HN 0.505 nan 8.250 nan 0.000 0.454 489 K N 0.423 120.854 120.400 0.051 0.000 2.350 489 K HA 0.465 4.785 4.320 -0.000 0.000 0.241 489 K C 0.241 176.874 176.600 0.054 0.000 0.994 489 K CA -0.867 55.447 56.287 0.045 0.000 0.839 489 K CB 1.049 33.566 32.500 0.029 0.000 1.244 489 K HN 0.020 nan 8.250 nan 0.000 0.443 490 I N 1.932 122.533 120.570 0.051 0.000 2.505 490 I HA -0.092 4.078 4.170 -0.000 0.000 0.287 490 I C 1.164 177.323 176.117 0.069 0.000 1.104 490 I CA 0.433 61.783 61.300 0.084 0.000 1.387 490 I CB 0.301 38.346 38.000 0.075 0.000 1.404 490 I HN 0.641 nan 8.210 nan 0.000 0.528 491 D N 4.814 125.262 120.400 0.080 0.000 2.262 491 D HA -0.023 4.617 4.640 -0.000 0.000 0.212 491 D C 0.325 176.674 176.300 0.082 0.000 0.964 491 D CA 0.741 54.780 54.000 0.064 0.000 0.875 491 D CB 0.460 41.291 40.800 0.051 0.000 0.996 491 D HN 0.463 nan 8.370 nan 0.000 0.497 492 N N -0.906 117.863 118.700 0.115 0.000 2.324 492 N HA 0.279 5.019 4.740 -0.000 0.000 0.285 492 N C -2.190 173.440 175.510 0.201 0.000 1.076 492 N CA -0.599 52.533 53.050 0.138 0.000 0.864 492 N CB 1.094 39.650 38.487 0.115 0.000 1.632 492 N HN -0.028 nan 8.380 nan 0.000 0.478 493 F N 2.271 122.253 119.950 0.053 0.000 2.617 493 F HA 0.461 4.988 4.527 0.000 0.000 0.325 493 F C -1.083 174.737 175.800 0.034 0.000 1.179 493 F CA -0.392 57.636 58.000 0.047 0.000 0.965 493 F CB 1.356 40.348 39.000 -0.013 0.000 1.232 493 F HN 0.256 nan 8.300 nan 0.000 0.461 494 Q N 5.809 125.656 119.800 0.080 0.000 2.340 494 Q HA 0.490 4.830 4.340 -0.000 0.000 0.268 494 Q C -1.503 174.557 176.000 0.099 0.000 1.031 494 Q CA -1.029 54.842 55.803 0.113 0.000 0.804 494 Q CB 3.051 31.803 28.738 0.024 0.000 1.286 494 Q HN 0.583 nan 8.270 nan 0.000 0.448 495 L N 1.885 123.111 121.223 0.005 0.000 2.282 495 L HA 0.449 4.789 4.340 -0.000 0.000 0.288 495 L C -0.428 176.436 176.870 -0.010 0.000 1.033 495 L CA -0.515 54.228 54.840 -0.162 0.000 0.807 495 L CB 1.746 43.404 42.059 -0.668 0.000 1.209 495 L HN 0.285 nan 8.230 nan 0.000 0.423 496 V N 4.734 124.773 119.914 0.208 0.000 2.350 496 V HA 0.551 4.671 4.120 -0.000 0.000 0.285 496 V C -0.191 176.099 176.094 0.327 0.000 1.014 496 V CA -0.643 61.796 62.300 0.232 0.000 0.831 496 V CB 1.762 33.749 31.823 0.272 0.000 1.000 496 V HN 0.447 nan 8.190 nan 0.000 0.433 497 V N 6.784 126.873 119.914 0.291 0.000 2.769 497 V HA 0.385 4.505 4.120 -0.000 0.000 0.312 497 V C -1.583 174.735 176.094 0.375 0.000 1.058 497 V CA -1.781 60.724 62.300 0.343 0.000 0.952 497 V CB 2.161 34.206 31.823 0.369 0.000 1.019 497 V HN 0.550 nan 8.190 nan 0.000 0.445 498 P HA -0.140 nan 4.420 nan 0.000 0.216 498 P C 1.660 179.145 177.300 0.309 0.000 1.157 498 P CA 1.535 64.824 63.100 0.316 0.000 0.880 498 P CB 0.204 32.014 31.700 0.183 0.000 0.791 499 S N -1.529 114.322 115.700 0.253 0.000 2.447 499 S HA -0.092 4.378 4.470 -0.000 0.000 0.233 499 S C 1.748 176.456 174.600 0.181 0.000 1.006 499 S CA 1.512 59.837 58.200 0.210 0.000 0.957 499 S CB -1.163 62.155 63.200 0.196 0.000 0.773 499 S HN 0.307 nan 8.310 nan 0.000 0.507 500 T N 0.608 115.275 114.554 0.190 0.000 2.708 500 T HA -0.129 4.221 4.350 -0.000 0.000 0.266 500 T C 1.319 176.020 174.700 0.002 0.000 1.037 500 T CA 1.161 63.306 62.100 0.074 0.000 1.146 500 T CB -0.412 68.475 68.868 0.032 0.000 0.865 500 T HN 0.557 nan 8.240 nan 0.000 0.435 501 W N 1.909 123.237 121.300 0.047 0.000 2.338 501 W HA -0.075 4.585 4.660 -0.000 0.000 0.304 501 W C 2.482 178.989 176.519 -0.020 0.000 1.212 501 W CA 0.559 57.905 57.345 0.003 0.000 1.264 501 W CB -0.378 29.078 29.460 -0.007 0.000 1.142 501 W HN 0.191 nan 8.180 nan 0.000 0.512 502 N N -0.601 118.235 118.700 0.226 0.000 2.220 502 N HA 0.007 4.747 4.740 -0.000 0.000 0.182 502 N C 1.175 176.609 175.510 -0.126 0.000 1.023 502 N CA 1.103 54.188 53.050 0.059 0.000 0.856 502 N CB -0.453 38.112 38.487 0.131 0.000 0.997 502 N HN 0.097 nan 8.380 nan 0.000 0.429 503 L N -0.166 121.030 121.223 -0.044 0.000 3.014 503 L HA 0.405 4.745 4.340 -0.000 0.000 0.263 503 L C 1.012 177.879 176.870 -0.004 0.000 1.207 503 L CA -0.355 54.447 54.840 -0.063 0.000 1.017 503 L CB 0.800 42.854 42.059 -0.008 0.000 1.360 503 L HN -0.058 nan 8.230 nan 0.000 0.560 504 G N 0.490 109.283 108.800 -0.012 0.000 2.651 504 G HA2 0.373 4.333 3.960 -0.000 0.000 0.260 504 G HA3 0.373 4.333 3.960 -0.000 0.000 0.260 504 G C -2.399 172.472 174.900 -0.049 0.000 1.216 504 G CA -0.676 44.409 45.100 -0.025 0.000 0.913 504 G HN -0.111 nan 8.290 nan 0.000 0.535 505 P HA 0.223 nan 4.420 nan 0.000 0.297 505 P C -0.167 177.062 177.300 -0.119 0.000 1.303 505 P CA -0.708 62.291 63.100 -0.168 0.000 0.753 505 P CB 0.941 32.317 31.700 -0.540 0.000 1.281 506 R N -0.933 119.478 120.500 -0.147 0.000 2.734 506 R HA 0.351 4.691 4.340 -0.000 0.000 0.266 506 R C 1.204 177.472 176.300 -0.053 0.000 1.044 506 R CA 0.333 56.296 56.100 -0.229 0.000 1.128 506 R CB -0.413 29.482 30.300 -0.674 0.000 1.010 506 R HN 0.576 nan 8.270 nan 0.000 0.461 507 G N 0.209 109.005 108.800 -0.006 0.000 2.553 507 G HA2 0.257 4.217 3.960 -0.000 0.000 0.278 507 G HA3 0.257 4.217 3.960 -0.000 0.000 0.278 507 G C 0.740 175.783 174.900 0.238 0.000 1.349 507 G CA 0.054 45.209 45.100 0.091 0.000 1.037 507 G HN 0.679 nan 8.290 nan 0.000 0.508 508 A N -1.477 121.449 122.820 0.176 0.000 2.024 508 A HA -0.065 4.255 4.320 -0.000 0.000 0.220 508 A C 2.100 179.785 177.584 0.167 0.000 1.164 508 A CA 1.789 53.911 52.037 0.143 0.000 0.643 508 A CB -0.260 18.798 19.000 0.096 0.000 0.806 508 A HN 0.603 nan 8.150 nan 0.000 0.451 509 Q N -1.985 117.907 119.800 0.153 0.000 2.280 509 Q HA 0.292 4.632 4.340 -0.000 0.000 0.201 509 Q C 1.029 177.096 176.000 0.111 0.000 0.890 509 Q CA 0.355 56.226 55.803 0.114 0.000 0.947 509 Q CB 0.189 28.974 28.738 0.077 0.000 1.081 509 Q HN 0.839 nan 8.270 nan 0.000 0.502 510 G N 2.057 110.952 108.800 0.159 0.000 2.162 510 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.260 510 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.260 510 G C -0.342 174.475 174.900 -0.138 0.000 0.976 510 G CA 0.366 45.451 45.100 -0.024 0.000 0.655 510 G HN 0.540 nan 8.290 nan 0.000 0.533 511 D N 0.890 121.245 120.400 -0.075 0.000 2.348 511 D HA 0.354 4.994 4.640 -0.000 0.000 0.253 511 D C 0.549 176.771 176.300 -0.130 0.000 1.161 511 D CA -0.198 53.749 54.000 -0.088 0.000 0.876 511 D CB 0.995 41.775 40.800 -0.033 0.000 1.160 511 D HN 0.401 nan 8.370 nan 0.000 0.459 512 K N 1.279 121.581 120.400 -0.163 0.000 2.380 512 K HA 0.125 4.445 4.320 -0.000 0.000 0.267 512 K C 0.931 177.458 176.600 -0.121 0.000 0.990 512 K CA -0.378 55.799 56.287 -0.183 0.000 0.946 512 K CB 0.381 32.747 32.500 -0.223 0.000 0.937 512 K HN 0.664 nan 8.250 nan 0.000 0.491 513 S N 1.504 117.136 115.700 -0.113 0.000 2.617 513 S HA 0.105 4.575 4.470 -0.000 0.000 0.259 513 S C -1.821 172.721 174.600 -0.098 0.000 1.301 513 S CA -1.208 56.941 58.200 -0.085 0.000 0.984 513 S CB 0.709 63.858 63.200 -0.084 0.000 0.954 513 S HN 0.317 nan 8.310 nan 0.000 0.572 514 P HA -0.118 nan 4.420 nan 0.000 0.215 514 P C 1.713 178.895 177.300 -0.196 0.000 1.157 514 P CA 0.794 63.851 63.100 -0.071 0.000 0.874 514 P CB -0.180 31.519 31.700 -0.002 0.000 0.790 515 V N 0.016 119.632 119.914 -0.497 0.000 2.427 515 V HA -0.239 3.881 4.120 -0.000 0.000 0.248 515 V C 2.055 178.050 176.094 -0.166 0.000 1.051 515 V CA 1.973 63.955 62.300 -0.529 0.000 1.048 515 V CB -0.942 30.501 31.823 -0.633 0.000 0.666 515 V HN 0.088 nan 8.190 nan 0.000 0.456 516 E N -0.415 119.692 120.200 -0.154 0.000 2.106 516 E HA -0.258 4.092 4.350 -0.000 0.000 0.192 516 E C 2.182 178.707 176.600 -0.126 0.000 0.984 516 E CA 1.461 57.774 56.400 -0.144 0.000 0.806 516 E CB -0.108 29.475 29.700 -0.195 0.000 0.750 516 E HN 0.734 nan 8.360 nan 0.000 0.458 517 E N 0.605 120.748 120.200 -0.095 0.000 2.047 517 E HA -0.170 4.180 4.350 -0.000 0.000 0.191 517 E C 2.079 178.683 176.600 0.005 0.000 0.987 517 E CA 0.867 57.232 56.400 -0.058 0.000 0.799 517 E CB -0.046 29.628 29.700 -0.043 0.000 0.752 517 E HN 0.209 nan 8.360 nan 0.000 0.449 518 A N 0.979 123.845 122.820 0.076 0.000 1.978 518 A HA -0.145 4.175 4.320 -0.000 0.000 0.220 518 A C 2.136 179.803 177.584 0.138 0.000 1.170 518 A CA 0.975 53.119 52.037 0.179 0.000 0.636 518 A CB -0.558 18.695 19.000 0.422 0.000 0.810 518 A HN 0.317 nan 8.150 nan 0.000 0.448 519 L N 0.312 121.587 121.223 0.087 0.000 2.376 519 L HA 0.014 4.354 4.340 -0.000 0.000 0.219 519 L C 0.150 177.040 176.870 0.033 0.000 1.133 519 L CA -0.152 54.733 54.840 0.076 0.000 0.816 519 L CB -0.236 41.853 42.059 0.050 0.000 0.933 519 L HN 0.300 nan 8.230 nan 0.000 0.449 520 I N 0.836 121.406 120.570 -0.000 0.000 2.598 520 I HA 0.059 4.229 4.170 -0.000 0.000 0.284 520 I C 1.368 177.481 176.117 -0.007 0.000 1.140 520 I CA 0.964 62.252 61.300 -0.020 0.000 1.420 520 I CB -0.119 37.853 38.000 -0.048 0.000 1.387 520 I HN 0.353 nan 8.210 nan 0.000 0.553 521 G N 4.341 113.135 108.800 -0.009 0.000 2.159 521 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.227 521 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.227 521 G C 0.364 175.239 174.900 -0.041 0.000 0.986 521 G CA -0.203 44.884 45.100 -0.021 0.000 0.651 521 G HN 0.566 nan 8.290 nan 0.000 0.523 522 T N 4.305 118.849 114.554 -0.017 0.000 2.769 522 T HA 0.458 4.808 4.350 -0.000 0.000 0.293 522 T C -1.820 172.878 174.700 -0.002 0.000 0.931 522 T CA -0.276 61.808 62.100 -0.027 0.000 1.139 522 T CB 1.608 70.513 68.868 0.061 0.000 0.881 522 T HN 0.270 nan 8.240 nan 0.000 0.532 523 P HA 0.177 nan 4.420 nan 0.000 0.268 523 P C -0.715 176.640 177.300 0.092 0.000 1.204 523 P CA -0.290 62.825 63.100 0.025 0.000 0.768 523 P CB 0.576 32.278 31.700 0.003 0.000 0.842 524 I N 2.578 123.211 120.570 0.105 0.000 2.382 524 I HA 0.203 4.373 4.170 -0.000 0.000 0.285 524 I C 1.331 177.515 176.117 0.111 0.000 1.007 524 I CA -0.827 60.540 61.300 0.111 0.000 1.142 524 I CB 0.869 38.925 38.000 0.093 0.000 1.289 524 I HN 0.360 nan 8.210 nan 0.000 0.453 525 A N 4.455 127.364 122.820 0.147 0.000 2.021 525 A HA 0.007 4.327 4.320 -0.000 0.000 0.216 525 A C 0.551 178.148 177.584 0.021 0.000 1.163 525 A CA 1.023 53.137 52.037 0.127 0.000 0.676 525 A CB -0.017 19.118 19.000 0.226 0.000 0.818 525 A HN 0.686 nan 8.150 nan 0.000 0.453 526 D N -2.389 117.998 120.400 -0.021 0.000 2.354 526 D HA 0.294 4.934 4.640 -0.000 0.000 0.230 526 D C -2.606 173.588 176.300 -0.176 0.000 1.361 526 D CA -1.512 52.408 54.000 -0.133 0.000 0.992 526 D CB 1.419 42.056 40.800 -0.272 0.000 1.409 526 D HN -0.154 nan 8.370 nan 0.000 0.573 527 P HA -0.128 nan 4.420 nan 0.000 0.219 527 P C 1.182 178.273 177.300 -0.348 0.000 1.146 527 P CA 0.803 63.631 63.100 -0.453 0.000 0.808 527 P CB 0.409 31.475 31.700 -1.057 0.000 0.779 528 K N -0.650 119.582 120.400 -0.279 0.000 2.211 528 K HA -0.009 4.311 4.320 -0.000 0.000 0.203 528 K C 0.821 177.262 176.600 -0.266 0.000 1.050 528 K CA 0.863 57.024 56.287 -0.210 0.000 0.945 528 K CB -0.033 32.376 32.500 -0.151 0.000 0.732 528 K HN 0.251 nan 8.250 nan 0.000 0.451 529 R N 0.846 121.126 120.500 -0.367 0.000 2.644 529 R HA 0.150 4.490 4.340 -0.000 0.000 0.271 529 R C -2.447 173.485 176.300 -0.615 0.000 1.687 529 R CA -1.080 54.540 56.100 -0.799 0.000 1.655 529 R CB 1.333 31.352 30.300 -0.469 0.000 1.285 529 R HN -0.106 nan 8.270 nan 0.000 0.643 530 P HA -0.005 nan 4.420 nan 0.000 0.220 530 P C 0.983 178.290 177.300 0.010 0.000 1.806 530 P CA 0.041 63.068 63.100 -0.121 0.000 0.976 530 P CB 0.676 32.346 31.700 -0.050 0.000 1.952 531 V N 1.853 121.765 119.914 -0.002 0.000 2.546 531 V HA -0.281 3.839 4.120 -0.000 0.000 0.254 531 V C 1.933 177.980 176.094 -0.079 0.000 1.076 531 V CA 2.162 64.510 62.300 0.078 0.000 1.087 531 V CB -0.621 31.150 31.823 -0.086 0.000 0.674 531 V HN 0.168 nan 8.190 nan 0.000 0.470 532 E N 0.347 120.564 120.200 0.029 0.000 2.051 532 E HA -0.177 4.173 4.350 -0.000 0.000 0.192 532 E C 1.975 178.703 176.600 0.213 0.000 0.991 532 E CA 1.982 58.512 56.400 0.217 0.000 0.799 532 E CB -0.362 29.558 29.700 0.367 0.000 0.748 532 E HN 0.685 nan 8.360 nan 0.000 0.449 533 I N 0.671 121.325 120.570 0.139 0.000 2.194 533 I HA -0.305 3.865 4.170 -0.000 0.000 0.246 533 I C 2.148 178.285 176.117 0.033 0.000 1.093 533 I CA 1.093 62.460 61.300 0.111 0.000 1.355 533 I CB -0.322 37.731 38.000 0.089 0.000 1.046 533 I HN 0.116 nan 8.210 nan 0.000 0.413 534 L N -0.046 121.153 121.223 -0.040 0.000 2.083 534 L HA -0.194 4.146 4.340 -0.000 0.000 0.209 534 L C 2.766 179.532 176.870 -0.174 0.000 1.083 534 L CA 1.326 56.034 54.840 -0.220 0.000 0.752 534 L CB -0.641 41.334 42.059 -0.140 0.000 0.899 534 L HN 0.190 nan 8.230 nan 0.000 0.433 535 R N -0.582 119.789 120.500 -0.215 0.000 2.083 535 R HA -0.149 4.191 4.340 -0.000 0.000 0.237 535 R C 2.357 178.725 176.300 0.113 0.000 1.137 535 R CA 2.077 57.984 56.100 -0.322 0.000 0.951 535 R CB -0.513 29.084 30.300 -1.171 0.000 0.851 535 R HN 0.287 nan 8.270 nan 0.000 0.434 536 T N 0.277 114.950 114.554 0.198 0.000 2.770 536 T HA -0.059 4.291 4.350 -0.000 0.000 0.263 536 T C 1.932 176.840 174.700 0.347 0.000 1.039 536 T CA 1.122 63.433 62.100 0.350 0.000 1.142 536 T CB -0.074 69.037 68.868 0.405 0.000 0.868 536 T HN -0.028 nan 8.240 nan 0.000 0.435 537 V N 1.141 121.177 119.914 0.203 0.000 2.287 537 V HA -0.246 3.874 4.120 -0.000 0.000 0.248 537 V C 2.147 178.373 176.094 0.221 0.000 1.053 537 V CA 1.897 64.301 62.300 0.174 0.000 1.027 537 V CB -0.692 31.129 31.823 -0.004 0.000 0.646 537 V HN 0.659 nan 8.190 nan 0.000 0.447 538 H N -0.507 118.635 119.070 0.120 0.000 2.457 538 H HA -0.015 4.541 4.556 -0.000 0.000 0.294 538 H C 2.229 177.484 175.328 -0.122 0.000 1.064 538 H CA 0.875 56.922 56.048 -0.002 0.000 1.330 538 H CB -0.059 29.618 29.762 -0.142 0.000 1.395 538 H HN 0.474 nan 8.280 nan 0.000 0.541 539 A N 0.379 123.217 122.820 0.030 0.000 2.067 539 A HA -0.136 4.184 4.320 -0.000 0.000 0.219 539 A C 1.570 179.138 177.584 -0.027 0.000 1.158 539 A CA 0.954 53.002 52.037 0.020 0.000 0.661 539 A CB -0.673 18.458 19.000 0.219 0.000 0.801 539 A HN 0.350 nan 8.150 nan 0.000 0.452 540 F N -0.501 119.491 119.950 0.070 0.000 2.748 540 F HA 0.056 4.583 4.527 -0.000 0.000 0.299 540 F C 0.748 176.540 175.800 -0.014 0.000 1.154 540 F CA 0.755 58.788 58.000 0.055 0.000 1.446 540 F CB 0.142 39.196 39.000 0.089 0.000 1.112 540 F HN 0.280 nan 8.300 nan 0.000 0.584 541 D N 0.308 120.747 120.400 0.065 0.000 2.746 541 D HA -0.144 4.496 4.640 -0.000 0.000 0.241 541 D C -2.626 173.731 176.300 0.094 0.000 1.140 541 D CA -0.117 53.807 54.000 -0.127 0.000 0.707 541 D CB -0.481 40.055 40.800 -0.440 0.000 1.034 541 D HN 0.077 nan 8.370 nan 0.000 0.423 542 P HA 0.179 nan 4.420 nan 0.000 0.271 542 P C -0.226 177.171 177.300 0.163 0.000 1.216 542 P CA -0.549 62.658 63.100 0.179 0.000 0.776 542 P CB 1.291 33.100 31.700 0.181 0.000 0.881 543 C N 5.743 125.139 119.300 0.160 0.000 2.547 543 C HA 0.330 4.790 4.460 -0.000 0.000 0.327 543 C C 1.392 176.482 174.990 0.168 0.000 1.076 543 C CA -0.482 58.631 59.018 0.159 0.000 1.390 543 C CB -0.988 26.856 27.740 0.173 0.000 1.918 543 C HN 0.487 nan 8.230 nan 0.000 0.438 544 I N 3.681 124.340 120.570 0.148 0.000 2.716 544 I HA 0.038 4.208 4.170 -0.000 0.000 0.259 544 I C 2.478 178.692 176.117 0.161 0.000 1.172 544 I CA 1.402 62.801 61.300 0.164 0.000 1.478 544 I CB -1.452 36.648 38.000 0.167 0.000 1.104 544 I HN 0.766 nan 8.210 nan 0.000 0.439 545 A N 0.237 123.141 122.820 0.139 0.000 1.898 545 A HA -0.192 4.128 4.320 -0.000 0.000 0.216 545 A C 2.601 180.278 177.584 0.156 0.000 1.181 545 A CA 1.561 53.669 52.037 0.118 0.000 0.620 545 A CB -1.105 17.955 19.000 0.099 0.000 0.819 545 A HN 0.446 nan 8.150 nan 0.000 0.442 546 C N -1.026 118.398 119.300 0.207 0.000 2.413 546 C HA -0.032 4.428 4.460 -0.000 0.000 0.278 546 C C 3.067 178.290 174.990 0.389 0.000 1.224 546 C CA 0.984 60.187 59.018 0.307 0.000 1.732 546 C CB -1.560 26.380 27.740 0.333 0.000 2.050 546 C HN 0.693 nan 8.230 nan 0.000 0.463 547 G N -0.481 108.487 108.800 0.280 0.000 2.469 547 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.220 547 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.220 547 G C 1.533 176.513 174.900 0.133 0.000 1.136 547 G CA 1.688 46.936 45.100 0.246 0.000 0.759 547 G HN 0.455 nan 8.290 nan 0.000 0.562 548 V N 1.000 120.930 119.914 0.027 0.000 2.922 548 V HA 0.145 4.265 4.120 -0.000 0.000 0.242 548 V C 1.104 176.770 176.094 -0.714 0.000 1.094 548 V CA 0.660 62.851 62.300 -0.182 0.000 1.106 548 V CB -0.669 31.226 31.823 0.120 0.000 0.799 548 V HN 0.766 nan 8.190 nan 0.000 0.474 549 H N 0.000 119.071 119.070 0.002 0.000 2.539 549 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 549 H CA 0.000 55.977 56.048 -0.118 0.000 1.023 549 H CB 0.000 29.706 29.762 -0.093 0.000 1.292 549 H HN 0.000 nan 8.280 nan 0.000 0.496