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 3nwr_1_A DATA FIRST_RESID 12 DATA SEQUENCE EDTLEADYLI ETPLDPARVA DVMAGEQSSG XXXXXXXXXX XXXARSRASV DATA SEQUENCE LRIEELEAAA RPSLPNAWLE RQGTPGPWRR ARITLSFPLA NIDANLPTLA DATA SEQUENCE ATVAGNLYDL GEVTGVRLLS LRLPASYRAR FELPRHGVAG TRALTDVKDR DATA SEQUENCE PMIGTIIKPN VGLSAAETAA LVRELCEAGV DFIXDDEVCA NPAHAPLAER DATA SEQUENCE VRAVMSEVRR YRERSGRPVM VAFNITDDLD AMRRHAELVE REGGSCVMAS DATA SEQUENCE INWCGFSAIQ SLRRTTPLVL HAHRNGYGMM SRDPALGMSF QAYQTLWRLS DATA SEQUENCE GVDHMHVHGL AGKFAQSDAE VIESARDCAT PLAAGCDDAV LPAFSSGQWA DATA SEQUENCE GTVQATFDAV RSTDLLFMSG GGILAHPDGP AAGVTSVRQA WAAVQAGTPL DATA SEQUENCE PVYAEHMPEL RRALAFF 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 12 E HA 0.000 nan 4.350 nan 0.000 0.291 12 E C 0.000 176.586 176.600 -0.024 0.000 1.382 12 E CA 0.000 56.397 56.400 -0.005 0.000 0.976 12 E CB 0.000 29.703 29.700 0.006 0.000 0.812 13 D N 1.036 121.414 120.400 -0.035 0.000 2.363 13 D HA 0.050 4.701 4.640 0.019 0.000 0.214 13 D C 0.396 176.649 176.300 -0.079 0.000 1.093 13 D CA 0.797 54.765 54.000 -0.053 0.000 0.837 13 D CB 0.919 41.698 40.800 -0.035 0.000 0.948 13 D HN 0.200 nan 8.370 nan 0.000 0.507 14 T N -1.500 113.007 114.554 -0.079 0.000 2.883 14 T HA 0.651 5.013 4.350 0.019 0.000 0.296 14 T C -0.489 174.158 174.700 -0.088 0.000 1.117 14 T CA -0.982 61.074 62.100 -0.072 0.000 1.006 14 T CB 2.186 71.035 68.868 -0.032 0.000 1.191 14 T HN -0.046 nan 8.240 nan 0.000 0.508 15 L N -1.581 119.613 121.223 -0.050 0.000 2.301 15 L HA 0.951 5.303 4.340 0.019 0.000 0.264 15 L C -0.619 176.297 176.870 0.076 0.000 1.016 15 L CA -1.016 53.817 54.840 -0.011 0.000 0.821 15 L CB 1.225 43.255 42.059 -0.048 0.000 1.346 15 L HN 0.807 nan 8.230 nan 0.000 0.429 16 E N 0.269 120.508 120.200 0.064 0.000 2.256 16 E HA 0.824 5.186 4.350 0.019 0.000 0.267 16 E C -1.294 175.355 176.600 0.082 0.000 0.892 16 E CA -1.196 55.256 56.400 0.087 0.000 0.775 16 E CB 2.245 31.967 29.700 0.036 0.000 1.207 16 E HN 0.923 nan 8.360 nan 0.000 0.420 17 A N 2.612 125.508 122.820 0.126 0.000 2.374 17 A HA 0.482 4.814 4.320 0.019 0.000 0.305 17 A C -1.376 176.158 177.584 -0.083 0.000 1.053 17 A CA -0.874 51.161 52.037 -0.003 0.000 0.726 17 A CB 1.104 20.162 19.000 0.098 0.000 1.229 17 A HN 0.504 nan 8.150 nan 0.000 0.431 18 D N 0.957 121.218 120.400 -0.233 0.000 2.168 18 D HA 0.618 5.270 4.640 0.019 0.000 0.246 18 D C -1.050 175.037 176.300 -0.355 0.000 1.050 18 D CA 0.653 54.567 54.000 -0.144 0.000 0.857 18 D CB 1.033 41.796 40.800 -0.061 0.000 1.169 18 D HN 0.440 nan 8.370 nan 0.000 0.453 19 Y N 0.139 120.465 120.300 0.045 0.000 2.576 19 Y HA 0.455 5.016 4.550 0.018 0.000 0.346 19 Y C -0.414 175.513 175.900 0.046 0.000 1.018 19 Y CA -1.424 56.704 58.100 0.047 0.000 1.050 19 Y CB 1.734 40.213 38.460 0.031 0.000 1.280 19 Y HN 0.158 nan 8.280 nan 0.000 0.474 20 L N 5.047 126.402 121.223 0.221 0.000 2.287 20 L HA 0.685 5.036 4.340 0.019 0.000 0.287 20 L C -0.784 176.180 176.870 0.156 0.000 1.022 20 L CA -0.540 54.393 54.840 0.155 0.000 0.814 20 L CB 0.335 42.465 42.059 0.118 0.000 1.217 20 L HN 0.572 nan 8.230 nan 0.000 0.420 21 I N 1.105 121.746 120.570 0.118 0.000 2.797 21 I HA 0.716 4.898 4.170 0.019 0.000 0.307 21 I C -0.937 175.236 176.117 0.094 0.000 1.033 21 I CA -0.649 60.706 61.300 0.092 0.000 1.071 21 I CB 2.096 40.124 38.000 0.046 0.000 1.255 21 I HN 0.749 nan 8.210 nan 0.000 0.445 22 E N 2.458 122.720 120.200 0.104 0.000 2.275 22 E HA 0.569 4.931 4.350 0.019 0.000 0.270 22 E C -1.575 175.124 176.600 0.164 0.000 0.882 22 E CA -0.477 56.005 56.400 0.137 0.000 0.758 22 E CB 2.232 32.018 29.700 0.144 0.000 1.195 22 E HN 0.858 nan 8.360 nan 0.000 0.419 23 T N 3.326 117.990 114.554 0.183 0.000 3.047 23 T HA 0.337 4.699 4.350 0.019 0.000 0.340 23 T C -2.571 172.193 174.700 0.108 0.000 1.421 23 T CA -1.205 61.002 62.100 0.178 0.000 1.090 23 T CB 1.619 70.549 68.868 0.103 0.000 1.292 23 T HN 0.328 nan 8.240 nan 0.000 0.480 24 P HA 0.220 nan 4.420 nan 0.000 0.245 24 P C 0.551 177.787 177.300 -0.108 0.000 1.206 24 P CA 0.098 63.062 63.100 -0.227 0.000 0.781 24 P CB 0.260 31.717 31.700 -0.405 0.000 0.994 25 L N -0.293 120.926 121.223 -0.006 0.000 2.642 25 L HA 0.333 4.685 4.340 0.019 0.000 0.229 25 L C 0.668 177.538 176.870 0.001 0.000 1.179 25 L CA -0.874 53.972 54.840 0.010 0.000 0.834 25 L CB -0.369 41.728 42.059 0.063 0.000 1.515 25 L HN -0.220 nan 8.230 nan 0.000 0.512 26 D N -0.222 120.180 120.400 0.004 0.000 2.358 26 D HA 0.092 4.743 4.640 0.019 0.000 0.258 26 D C -1.811 174.491 176.300 0.003 0.000 1.223 26 D CA -1.239 52.761 54.000 -0.001 0.000 0.886 26 D CB 1.232 42.030 40.800 -0.003 0.000 1.120 26 D HN 0.112 nan 8.370 nan 0.000 0.482 27 P HA -0.175 nan 4.420 nan 0.000 0.215 27 P C 0.896 178.193 177.300 -0.005 0.000 1.153 27 P CA 1.413 64.517 63.100 0.007 0.000 0.853 27 P CB 0.117 31.826 31.700 0.015 0.000 0.788 28 A N -0.231 122.585 122.820 -0.007 0.000 1.902 28 A HA -0.216 4.116 4.320 0.019 0.000 0.217 28 A C 2.419 179.988 177.584 -0.024 0.000 1.181 28 A CA 1.490 53.518 52.037 -0.016 0.000 0.623 28 A CB -1.120 17.872 19.000 -0.014 0.000 0.818 28 A HN 0.022 nan 8.150 nan 0.000 0.443 29 R N -0.198 120.291 120.500 -0.019 0.000 2.081 29 R HA -0.098 4.254 4.340 0.019 0.000 0.235 29 R C 1.924 178.204 176.300 -0.033 0.000 1.131 29 R CA 1.846 57.933 56.100 -0.022 0.000 0.960 29 R CB -0.419 29.875 30.300 -0.010 0.000 0.856 29 R HN 0.323 nan 8.270 nan 0.000 0.436 30 V N 1.255 121.152 119.914 -0.028 0.000 2.343 30 V HA -0.217 3.915 4.120 0.019 0.000 0.247 30 V C 2.567 178.619 176.094 -0.071 0.000 1.051 30 V CA 1.845 64.119 62.300 -0.043 0.000 1.036 30 V CB -0.808 31.002 31.823 -0.021 0.000 0.654 30 V HN 0.513 nan 8.190 nan 0.000 0.451 31 A N 0.034 122.815 122.820 -0.064 0.000 1.940 31 A HA -0.318 4.013 4.320 0.019 0.000 0.219 31 A C 2.043 179.565 177.584 -0.104 0.000 1.176 31 A CA 2.336 54.320 52.037 -0.089 0.000 0.631 31 A CB -0.658 18.307 19.000 -0.059 0.000 0.814 31 A HN 0.597 nan 8.150 nan 0.000 0.446 32 D N -1.092 119.258 120.400 -0.082 0.000 2.194 32 D HA -0.053 4.599 4.640 0.019 0.000 0.204 32 D C 1.756 178.001 176.300 -0.090 0.000 0.964 32 D CA 0.982 54.929 54.000 -0.087 0.000 0.846 32 D CB 0.029 40.789 40.800 -0.067 0.000 0.962 32 D HN 0.123 nan 8.370 nan 0.000 0.490 33 V N 0.493 120.355 119.914 -0.085 0.000 2.287 33 V HA -0.316 3.815 4.120 0.019 0.000 0.248 33 V C 2.451 178.481 176.094 -0.107 0.000 1.053 33 V CA 1.792 64.038 62.300 -0.091 0.000 1.027 33 V CB -0.469 31.296 31.823 -0.096 0.000 0.646 33 V HN 0.341 nan 8.190 nan 0.000 0.447 34 M N -0.212 119.309 119.600 -0.131 0.000 2.080 34 M HA -0.193 4.299 4.480 0.019 0.000 0.260 34 M C 2.401 178.624 176.300 -0.128 0.000 1.068 34 M CA 2.314 57.518 55.300 -0.159 0.000 1.109 34 M CB -0.687 31.764 32.600 -0.249 0.000 1.342 34 M HN 0.394 nan 8.290 nan 0.000 0.405 35 A N 0.564 123.292 122.820 -0.155 0.000 1.908 35 A HA -0.075 4.257 4.320 0.019 0.000 0.218 35 A C 2.373 179.886 177.584 -0.119 0.000 1.181 35 A CA 2.046 53.967 52.037 -0.195 0.000 0.627 35 A CB -1.569 17.299 19.000 -0.221 0.000 0.818 35 A HN 0.569 nan 8.150 nan 0.000 0.445 36 G N -0.766 107.980 108.800 -0.090 0.000 2.404 36 G HA2 -0.149 3.822 3.960 0.019 0.000 0.215 36 G HA3 -0.149 3.822 3.960 0.019 0.000 0.215 36 G C 1.389 176.269 174.900 -0.033 0.000 1.174 36 G CA 0.873 45.938 45.100 -0.059 0.000 0.780 36 G HN 0.449 nan 8.290 nan 0.000 0.537 37 E N 0.474 120.649 120.200 -0.041 0.000 2.153 37 E HA -0.075 4.286 4.350 0.019 0.000 0.194 37 E C 2.373 178.977 176.600 0.007 0.000 0.988 37 E CA 0.727 57.108 56.400 -0.030 0.000 0.811 37 E CB -0.059 29.607 29.700 -0.057 0.000 0.746 37 E HN 0.370 nan 8.360 nan 0.000 0.466 38 Q N 0.019 119.850 119.800 0.051 0.000 2.320 38 Q HA 0.084 4.435 4.340 0.019 0.000 0.201 38 Q C 1.112 177.234 176.000 0.204 0.000 0.910 38 Q CA 0.096 55.984 55.803 0.141 0.000 0.946 38 Q CB 0.604 29.509 28.738 0.278 0.000 1.062 38 Q HN 0.238 nan 8.270 nan 0.000 0.503 39 S N -1.139 114.629 115.700 0.115 0.000 4.174 39 S HA 0.178 4.660 4.470 0.019 0.000 0.210 39 S C 0.839 175.460 174.600 0.036 0.000 1.163 39 S CA 0.180 58.437 58.200 0.095 0.000 1.560 39 S CB 0.049 63.301 63.200 0.087 0.000 1.473 39 S HN 0.061 nan 8.310 nan 0.000 0.742 40 S N 0.993 116.701 115.700 0.013 0.000 2.583 40 S HA 0.583 5.065 4.470 0.019 0.000 0.239 40 S C 1.156 175.749 174.600 -0.011 0.000 0.966 40 S CA 0.139 58.340 58.200 0.001 0.000 0.973 40 S CB -0.890 62.309 63.200 -0.002 0.000 0.794 40 S HN 2.004 nan 8.310 nan 0.000 0.463 56 R N 0.626 121.117 120.500 -0.015 0.000 2.290 56 R HA 0.225 4.576 4.340 0.019 0.000 0.197 56 R C 1.158 177.453 176.300 -0.009 0.000 0.913 56 R CA 1.591 57.683 56.100 -0.013 0.000 1.040 56 R CB -0.025 30.269 30.300 -0.010 0.000 0.992 56 R HN 0.593 nan 8.270 nan 0.000 0.500 57 S N -0.582 115.113 115.700 -0.009 0.000 2.684 57 S HA 0.212 4.694 4.470 0.019 0.000 0.268 57 S C 0.303 174.902 174.600 -0.003 0.000 1.075 57 S CA -0.676 57.525 58.200 0.001 0.000 1.184 57 S CB 0.203 63.405 63.200 0.004 0.000 1.129 57 S HN 0.141 nan 8.310 nan 0.000 0.630 58 R N 3.186 123.672 120.500 -0.024 0.000 2.234 58 R HA 0.750 5.102 4.340 0.019 0.000 0.324 58 R C 0.074 176.323 176.300 -0.085 0.000 1.054 58 R CA 0.078 56.151 56.100 -0.045 0.000 0.912 58 R CB 0.304 30.576 30.300 -0.047 0.000 1.030 58 R HN 0.369 nan 8.270 nan 0.000 0.455 59 A N 3.412 126.150 122.820 -0.137 0.000 2.406 59 A HA 0.458 4.790 4.320 0.019 0.000 0.243 59 A C -0.370 177.059 177.584 -0.258 0.000 1.082 59 A CA 0.150 52.005 52.037 -0.304 0.000 0.786 59 A CB 0.153 18.753 19.000 -0.667 0.000 1.029 59 A HN 0.940 nan 8.150 nan 0.000 0.495 60 S N -0.457 115.080 115.700 -0.270 0.000 2.599 60 S HA 0.636 5.117 4.470 0.019 0.000 0.287 60 S C -0.843 173.650 174.600 -0.178 0.000 1.105 60 S CA -0.757 57.334 58.200 -0.181 0.000 0.899 60 S CB 1.339 64.467 63.200 -0.120 0.000 1.100 60 S HN 0.819 nan 8.310 nan 0.000 0.482 61 V N 2.937 122.778 119.914 -0.122 0.000 2.385 61 V HA 0.279 4.410 4.120 0.019 0.000 0.269 61 V C 0.708 176.766 176.094 -0.059 0.000 1.043 61 V CA -0.373 61.874 62.300 -0.088 0.000 0.906 61 V CB 0.398 32.179 31.823 -0.070 0.000 0.995 61 V HN 0.912 nan 8.190 nan 0.000 0.467 62 L N 4.259 125.456 121.223 -0.044 0.000 2.354 62 L HA 0.322 4.673 4.340 0.019 0.000 0.212 62 L C 0.936 177.798 176.870 -0.013 0.000 1.091 62 L CA 0.697 55.520 54.840 -0.029 0.000 0.828 62 L CB 0.113 42.158 42.059 -0.024 0.000 0.973 62 L HN 0.535 nan 8.230 nan 0.000 0.461 63 R N -0.109 120.389 120.500 -0.003 0.000 2.584 63 R HA 0.636 4.988 4.340 0.019 0.000 0.276 63 R C -1.401 174.907 176.300 0.013 0.000 1.046 63 R CA -0.501 55.603 56.100 0.006 0.000 0.906 63 R CB 2.752 33.060 30.300 0.014 0.000 1.215 63 R HN -0.070 nan 8.270 nan 0.000 0.449 64 I N 1.131 121.707 120.570 0.011 0.000 2.569 64 I HA 0.311 4.492 4.170 0.019 0.000 0.290 64 I C -0.758 175.370 176.117 0.018 0.000 1.088 64 I CA -0.515 60.795 61.300 0.016 0.000 1.047 64 I CB 2.554 40.558 38.000 0.007 0.000 1.237 64 I HN 0.554 nan 8.210 nan 0.000 0.421 65 E N 5.747 125.962 120.200 0.025 0.000 2.283 65 E HA 0.250 4.611 4.350 0.019 0.000 0.258 65 E C -1.116 175.501 176.600 0.029 0.000 0.893 65 E CA -0.595 55.820 56.400 0.024 0.000 0.798 65 E CB 1.705 31.421 29.700 0.026 0.000 1.242 65 E HN 0.618 nan 8.360 nan 0.000 0.414 66 E N 4.580 124.794 120.200 0.024 0.000 2.338 66 E HA 0.238 4.600 4.350 0.019 0.000 0.272 66 E C -0.669 175.949 176.600 0.031 0.000 1.029 66 E CA -0.181 56.236 56.400 0.028 0.000 0.872 66 E CB 0.705 30.417 29.700 0.021 0.000 1.015 66 E HN 0.460 nan 8.360 nan 0.000 0.417 67 L N 2.268 123.513 121.223 0.038 0.000 2.421 67 L HA 0.407 4.758 4.340 0.019 0.000 0.267 67 L C 0.425 177.320 176.870 0.042 0.000 1.036 67 L CA -1.102 53.762 54.840 0.040 0.000 0.829 67 L CB 0.683 42.771 42.059 0.047 0.000 1.437 67 L HN 0.602 nan 8.230 nan 0.000 0.488 68 E N 0.758 120.984 120.200 0.043 0.000 2.415 68 E HA 0.246 4.608 4.350 0.019 0.000 0.263 68 E C -0.521 176.115 176.600 0.060 0.000 0.995 68 E CA -0.406 56.022 56.400 0.045 0.000 0.915 68 E CB 1.125 30.851 29.700 0.043 0.000 0.951 68 E HN 0.543 nan 8.360 nan 0.000 0.449 69 A N 3.353 126.212 122.820 0.064 0.000 2.366 69 A HA 0.496 4.828 4.320 0.019 0.000 0.249 69 A C -0.140 177.514 177.584 0.117 0.000 1.084 69 A CA 0.187 52.279 52.037 0.091 0.000 0.794 69 A CB 0.700 19.745 19.000 0.076 0.000 1.034 69 A HN 0.724 nan 8.150 nan 0.000 0.491 70 A N 0.014 122.939 122.820 0.174 0.000 2.310 70 A HA 0.601 4.933 4.320 0.019 0.000 0.299 70 A C 1.099 178.844 177.584 0.269 0.000 1.147 70 A CA 0.079 52.224 52.037 0.180 0.000 0.818 70 A CB 0.561 19.655 19.000 0.157 0.000 1.096 70 A HN 1.892 nan 8.150 nan 0.000 0.495 71 A N 1.901 124.837 122.820 0.193 0.000 2.067 71 A HA 0.205 4.537 4.320 0.019 0.000 0.217 71 A C 1.083 178.826 177.584 0.266 0.000 1.156 71 A CA 1.113 53.288 52.037 0.231 0.000 0.683 71 A CB -0.125 18.952 19.000 0.128 0.000 0.808 71 A HN 0.881 nan 8.150 nan 0.000 0.455 72 R N -0.733 119.790 120.500 0.039 0.000 2.771 72 R HA 0.569 4.920 4.340 0.019 0.000 0.274 72 R C -3.379 172.544 176.300 -0.629 0.000 0.987 72 R CA -2.166 53.714 56.100 -0.367 0.000 0.908 72 R CB 1.074 31.238 30.300 -0.227 0.000 1.213 72 R HN -0.119 nan 8.270 nan 0.000 0.468 73 P HA 0.081 nan 4.420 nan 0.000 0.271 73 P C -0.198 176.851 177.300 -0.418 0.000 1.216 73 P CA -0.225 62.260 63.100 -1.025 0.000 0.771 73 P CB 1.539 32.519 31.700 -1.200 0.000 0.864 74 S N 1.818 117.388 115.700 -0.217 0.000 2.406 74 S HA 0.026 4.507 4.470 0.019 0.000 0.228 74 S C 0.966 175.514 174.600 -0.086 0.000 1.020 74 S CA 0.779 58.914 58.200 -0.107 0.000 0.965 74 S CB -0.298 62.883 63.200 -0.033 0.000 0.798 74 S HN 0.414 nan 8.310 nan 0.000 0.488 75 L N 1.229 122.404 121.223 -0.080 0.000 2.370 75 L HA 0.485 4.836 4.340 0.019 0.000 0.266 75 L C -2.776 174.068 176.870 -0.044 0.000 1.002 75 L CA -2.570 52.247 54.840 -0.039 0.000 0.818 75 L CB 1.502 43.568 42.059 0.011 0.000 1.325 75 L HN -0.152 nan 8.230 nan 0.000 0.418 76 P HA 0.104 nan 4.420 nan 0.000 0.269 76 P C -1.083 176.242 177.300 0.042 0.000 1.215 76 P CA -0.168 62.931 63.100 -0.002 0.000 0.780 76 P CB 0.411 32.114 31.700 0.005 0.000 0.898 77 N N 0.485 119.227 118.700 0.071 0.000 2.616 77 N HA 0.256 5.008 4.740 0.019 0.000 0.281 77 N C 0.164 175.758 175.510 0.141 0.000 1.145 77 N CA -0.347 52.778 53.050 0.124 0.000 0.919 77 N CB 1.453 40.040 38.487 0.168 0.000 1.509 77 N HN 0.229 nan 8.380 nan 0.000 0.537 78 A N 2.829 125.734 122.820 0.141 0.000 1.969 78 A HA -0.075 4.256 4.320 0.019 0.000 0.218 78 A C 1.768 179.450 177.584 0.163 0.000 1.169 78 A CA 0.808 52.921 52.037 0.126 0.000 0.635 78 A CB -0.624 18.442 19.000 0.110 0.000 0.810 78 A HN 0.796 nan 8.150 nan 0.000 0.445 79 W N 0.553 121.877 121.300 0.041 0.000 2.379 79 W HA -0.101 4.572 4.660 0.021 0.000 0.307 79 W C 1.738 178.285 176.519 0.047 0.000 1.200 79 W CA 1.782 59.150 57.345 0.039 0.000 1.297 79 W CB -0.228 29.253 29.460 0.036 0.000 1.140 79 W HN 0.238 nan 8.180 nan 0.000 0.507 80 L N 0.629 121.994 121.223 0.236 0.000 2.093 80 L HA -0.200 4.151 4.340 0.019 0.000 0.208 80 L C 2.581 179.443 176.870 -0.014 0.000 1.085 80 L CA 2.020 56.911 54.840 0.085 0.000 0.755 80 L CB -0.933 41.279 42.059 0.254 0.000 0.904 80 L HN 0.178 nan 8.230 nan 0.000 0.435 81 E N -0.289 119.931 120.200 0.034 0.000 2.216 81 E HA -0.184 4.178 4.350 0.019 0.000 0.192 81 E C 2.094 178.667 176.600 -0.044 0.000 0.988 81 E CA 0.267 56.677 56.400 0.017 0.000 0.834 81 E CB -0.256 29.472 29.700 0.046 0.000 0.772 81 E HN 0.380 nan 8.360 nan 0.000 0.479 82 R N 0.520 120.970 120.500 -0.083 0.000 2.211 82 R HA -0.111 4.241 4.340 0.019 0.000 0.240 82 R C 1.343 177.538 176.300 -0.176 0.000 1.144 82 R CA 1.526 57.554 56.100 -0.120 0.000 0.992 82 R CB -0.004 30.209 30.300 -0.145 0.000 0.869 82 R HN 0.368 nan 8.270 nan 0.000 0.462 83 Q N -1.555 118.106 119.800 -0.231 0.000 2.171 83 Q HA 0.156 4.508 4.340 0.019 0.000 0.218 83 Q C 0.412 176.325 176.000 -0.144 0.000 0.822 83 Q CA 0.221 55.880 55.803 -0.240 0.000 0.987 83 Q CB 1.626 30.112 28.738 -0.419 0.000 1.144 83 Q HN 0.380 nan 8.270 nan 0.000 0.494 84 G N 2.155 110.903 108.800 -0.086 0.000 2.379 84 G HA2 -0.288 3.683 3.960 0.019 0.000 0.297 84 G HA3 -0.288 3.683 3.960 0.019 0.000 0.297 84 G C 0.080 174.956 174.900 -0.040 0.000 1.004 84 G CA 0.621 45.700 45.100 -0.036 0.000 0.921 84 G HN 0.281 nan 8.290 nan 0.000 0.511 85 T N 2.484 117.008 114.554 -0.050 0.000 2.871 85 T HA 0.385 4.746 4.350 0.019 0.000 0.296 85 T C -1.007 173.650 174.700 -0.072 0.000 0.998 85 T CA 0.064 62.127 62.100 -0.063 0.000 1.162 85 T CB 1.362 70.204 68.868 -0.044 0.000 0.947 85 T HN 0.444 nan 8.240 nan 0.000 0.536 86 P HA 0.345 nan 4.420 nan 0.000 0.276 86 P C 0.577 177.572 177.300 -0.507 0.000 1.244 86 P CA -0.509 62.467 63.100 -0.206 0.000 0.801 86 P CB 0.691 32.300 31.700 -0.151 0.000 1.006 87 G N 1.758 110.083 108.800 -0.792 0.000 2.570 87 G HA2 0.390 4.362 3.960 0.019 0.000 0.276 87 G HA3 0.390 4.362 3.960 0.019 0.000 0.276 87 G C -2.240 172.305 174.900 -0.592 0.000 1.346 87 G CA -0.800 43.483 45.100 -1.362 0.000 1.034 87 G HN 0.384 nan 8.290 nan 0.000 0.512 88 P HA 0.159 nan 4.420 nan 0.000 0.275 88 P C -0.632 176.366 177.300 -0.503 0.000 1.266 88 P CA -0.327 62.565 63.100 -0.347 0.000 0.793 88 P CB 0.582 32.246 31.700 -0.059 0.000 1.074 89 W N 1.600 122.915 121.300 0.024 0.000 2.295 89 W HA 0.287 4.959 4.660 0.019 0.000 0.333 89 W C 0.283 176.820 176.519 0.029 0.000 0.990 89 W CA -0.233 57.130 57.345 0.030 0.000 1.453 89 W CB 0.175 29.654 29.460 0.033 0.000 1.263 89 W HN 0.244 nan 8.180 nan 0.000 0.380 90 R N 2.076 122.638 120.500 0.103 0.000 2.643 90 R HA 0.353 4.704 4.340 0.019 0.000 0.270 90 R C 0.210 176.573 176.300 0.106 0.000 1.061 90 R CA 0.046 56.193 56.100 0.078 0.000 1.107 90 R CB 0.839 31.154 30.300 0.025 0.000 0.999 90 R HN 0.323 nan 8.270 nan 0.000 0.460 91 R N 0.386 120.938 120.500 0.086 0.000 2.670 91 R HA 0.699 5.050 4.340 0.019 0.000 0.289 91 R C -1.257 175.082 176.300 0.065 0.000 0.965 91 R CA -0.712 55.439 56.100 0.085 0.000 0.899 91 R CB 2.365 32.718 30.300 0.087 0.000 1.173 91 R HN 0.693 nan 8.270 nan 0.000 0.456 92 A N 1.939 124.799 122.820 0.066 0.000 2.574 92 A HA 0.509 4.840 4.320 0.019 0.000 0.297 92 A C -1.350 176.276 177.584 0.070 0.000 1.062 92 A CA -0.765 51.307 52.037 0.057 0.000 0.686 92 A CB 1.709 20.735 19.000 0.045 0.000 1.285 92 A HN 0.705 nan 8.150 nan 0.000 0.403 93 R N 1.515 122.054 120.500 0.064 0.000 2.297 93 R HA 0.674 5.026 4.340 0.019 0.000 0.308 93 R C -0.609 175.736 176.300 0.075 0.000 1.029 93 R CA -0.278 55.868 56.100 0.076 0.000 0.929 93 R CB 0.387 30.724 30.300 0.060 0.000 1.046 93 R HN 0.814 nan 8.270 nan 0.000 0.461 94 I N -0.461 120.175 120.570 0.110 0.000 2.934 94 I HA 0.562 4.743 4.170 0.019 0.000 0.306 94 I C -1.088 175.112 176.117 0.139 0.000 1.110 94 I CA -0.787 60.574 61.300 0.103 0.000 1.019 94 I CB 2.801 40.853 38.000 0.086 0.000 1.227 94 I HN 0.360 nan 8.210 nan 0.000 0.434 95 T N 5.464 120.074 114.554 0.094 0.000 2.812 95 T HA 0.591 4.953 4.350 0.019 0.000 0.282 95 T C -0.376 174.366 174.700 0.069 0.000 0.990 95 T CA -0.456 61.700 62.100 0.094 0.000 0.960 95 T CB 1.378 70.271 68.868 0.043 0.000 0.948 95 T HN 0.385 nan 8.240 nan 0.000 0.438 96 L N 2.079 123.370 121.223 0.114 0.000 2.331 96 L HA 0.687 5.038 4.340 0.019 0.000 0.275 96 L C 0.400 177.221 176.870 -0.083 0.000 1.022 96 L CA -0.867 53.946 54.840 -0.046 0.000 0.812 96 L CB 1.833 43.833 42.059 -0.097 0.000 1.257 96 L HN 0.533 nan 8.230 nan 0.000 0.435 97 S N 1.894 117.461 115.700 -0.221 0.000 2.456 97 S HA 0.646 5.127 4.470 0.019 0.000 0.316 97 S C -0.980 173.450 174.600 -0.284 0.000 1.089 97 S CA -0.434 57.679 58.200 -0.144 0.000 1.101 97 S CB 0.300 63.442 63.200 -0.096 0.000 0.995 97 S HN 0.316 nan 8.310 nan 0.000 0.468 98 F N 5.187 125.115 119.950 -0.038 0.000 2.458 98 F HA 0.466 5.007 4.527 0.023 0.000 0.336 98 F C -2.141 173.610 175.800 -0.082 0.000 1.114 98 F CA -2.197 55.773 58.000 -0.051 0.000 0.987 98 F CB 1.948 40.919 39.000 -0.048 0.000 1.130 98 F HN 0.385 nan 8.300 nan 0.000 0.458 99 P HA 0.152 nan 4.420 nan 0.000 0.276 99 P C 0.732 178.022 177.300 -0.017 0.000 1.243 99 P CA 0.008 63.117 63.100 0.014 0.000 0.768 99 P CB 0.693 32.398 31.700 0.007 0.000 0.856 100 L N 2.663 123.820 121.223 -0.110 0.000 2.131 100 L HA -0.213 4.139 4.340 0.019 0.000 0.210 100 L C 2.279 179.096 176.870 -0.087 0.000 1.092 100 L CA 1.687 56.398 54.840 -0.216 0.000 0.759 100 L CB -0.873 40.958 42.059 -0.380 0.000 0.903 100 L HN 0.392 nan 8.230 nan 0.000 0.435 101 A N 0.241 123.035 122.820 -0.045 0.000 2.070 101 A HA -0.202 4.130 4.320 0.019 0.000 0.220 101 A C 1.927 179.512 177.584 0.001 0.000 1.159 101 A CA 1.683 53.712 52.037 -0.013 0.000 0.656 101 A CB -0.505 18.488 19.000 -0.011 0.000 0.800 101 A HN 0.428 nan 8.150 nan 0.000 0.453 102 N N -0.271 118.434 118.700 0.007 0.000 2.309 102 N HA -0.031 4.721 4.740 0.019 0.000 0.182 102 N C 1.335 176.855 175.510 0.017 0.000 1.018 102 N CA 1.497 54.559 53.050 0.020 0.000 0.876 102 N CB -0.187 38.329 38.487 0.049 0.000 0.972 102 N HN 0.655 nan 8.380 nan 0.000 0.434 103 I N -1.581 119.001 120.570 0.020 0.000 3.718 103 I HA 0.053 4.234 4.170 0.019 0.000 0.297 103 I C 0.163 176.327 176.117 0.080 0.000 1.220 103 I CA -0.139 61.188 61.300 0.044 0.000 1.381 103 I CB 0.086 38.122 38.000 0.060 0.000 1.238 103 I HN -0.137 nan 8.210 nan 0.000 0.448 104 D N 1.325 121.787 120.400 0.103 0.000 3.824 104 D HA -0.239 4.413 4.640 0.019 0.000 0.275 104 D C 0.367 176.776 176.300 0.181 0.000 2.108 104 D CA 1.432 55.510 54.000 0.130 0.000 1.125 104 D CB -0.226 40.591 40.800 0.028 0.000 0.951 104 D HN 0.330 nan 8.370 nan 0.000 1.140 105 A N 0.758 123.527 122.820 -0.084 0.000 3.117 105 A HA 0.179 4.511 4.320 0.019 0.000 0.255 105 A C 0.387 177.726 177.584 -0.407 0.000 1.583 105 A CA 0.011 51.710 52.037 -0.563 0.000 1.234 105 A CB -0.497 17.974 19.000 -0.882 0.000 1.076 105 A HN 0.317 nan 8.150 nan 0.000 0.653 106 N N 1.421 120.111 118.700 -0.017 0.000 2.558 106 N HA 0.167 4.918 4.740 0.019 0.000 0.242 106 N C 0.586 176.160 175.510 0.108 0.000 0.979 106 N CA -0.442 52.624 53.050 0.026 0.000 0.931 106 N CB 1.034 39.527 38.487 0.010 0.000 1.122 106 N HN 0.271 nan 8.380 nan 0.000 0.508 107 L N 7.318 128.619 121.223 0.129 0.000 1.994 107 L HA 0.106 4.457 4.340 0.019 0.000 0.208 107 L C -0.823 175.853 176.870 -0.323 0.000 1.071 107 L CA 2.057 56.829 54.840 -0.114 0.000 0.745 107 L CB -1.020 40.926 42.059 -0.189 0.000 0.892 107 L HN 0.453 nan 8.230 nan 0.000 0.431 108 P HA -0.091 nan 4.420 nan 0.000 0.219 108 P C 1.359 178.617 177.300 -0.069 0.000 1.150 108 P CA 1.490 64.544 63.100 -0.077 0.000 0.814 108 P CB -0.176 31.563 31.700 0.065 0.000 0.787 109 T N 0.428 114.951 114.554 -0.053 0.000 2.951 109 T HA -0.056 4.305 4.350 0.019 0.000 0.268 109 T C 1.739 176.387 174.700 -0.087 0.000 1.073 109 T CA 0.496 62.569 62.100 -0.044 0.000 1.134 109 T CB -0.713 68.145 68.868 -0.016 0.000 0.884 109 T HN -0.013 nan 8.240 nan 0.000 0.479 110 L N 1.997 123.151 121.223 -0.114 0.000 2.012 110 L HA 0.011 4.362 4.340 0.019 0.000 0.210 110 L C 2.570 179.299 176.870 -0.235 0.000 1.073 110 L CA 2.013 56.750 54.840 -0.171 0.000 0.748 110 L CB -1.111 40.838 42.059 -0.184 0.000 0.891 110 L HN 0.212 nan 8.230 nan 0.000 0.431 111 A N -0.473 122.186 122.820 -0.269 0.000 1.933 111 A HA -0.074 4.258 4.320 0.019 0.000 0.218 111 A C 2.438 179.988 177.584 -0.057 0.000 1.175 111 A CA 1.743 53.674 52.037 -0.176 0.000 0.628 111 A CB -1.193 17.727 19.000 -0.133 0.000 0.814 111 A HN 0.607 nan 8.150 nan 0.000 0.444 112 A N -1.176 121.616 122.820 -0.046 0.000 2.019 112 A HA -0.038 4.293 4.320 0.019 0.000 0.219 112 A C 2.223 179.776 177.584 -0.052 0.000 1.164 112 A CA 2.204 54.234 52.037 -0.011 0.000 0.644 112 A CB -0.853 18.146 19.000 -0.002 0.000 0.805 112 A HN 0.445 nan 8.150 nan 0.000 0.449 113 T N -0.657 113.816 114.554 -0.134 0.000 2.866 113 T HA -0.023 4.338 4.350 0.019 0.000 0.250 113 T C 1.902 176.410 174.700 -0.321 0.000 1.033 113 T CA 1.625 63.584 62.100 -0.235 0.000 1.145 113 T CB -0.424 68.231 68.868 -0.356 0.000 0.866 113 T HN 0.576 nan 8.240 nan 0.000 0.434 114 V N -0.739 118.981 119.914 -0.323 0.000 3.406 114 V HA 0.534 4.665 4.120 0.019 0.000 0.263 114 V C 1.682 177.810 176.094 0.058 0.000 1.172 114 V CA 0.810 63.004 62.300 -0.177 0.000 1.140 114 V CB -0.788 30.914 31.823 -0.202 0.000 0.784 114 V HN 0.431 nan 8.190 nan 0.000 0.467 115 A N 0.287 123.124 122.820 0.028 0.000 1.949 115 A HA 0.697 5.029 4.320 0.019 0.000 0.200 115 A C 1.917 179.515 177.584 0.024 0.000 2.254 115 A CA 1.067 53.166 52.037 0.103 0.000 1.206 115 A CB -0.859 18.335 19.000 0.324 0.000 1.110 115 A HN 1.339 nan 8.150 nan 0.000 0.628 116 G N 0.413 109.296 108.800 0.137 0.000 2.660 116 G HA2 -0.413 3.559 3.960 0.019 0.000 0.338 116 G HA3 -0.413 3.559 3.960 0.019 0.000 0.338 116 G C 0.583 175.552 174.900 0.114 0.000 1.336 116 G CA 0.953 46.120 45.100 0.112 0.000 0.990 116 G HN 0.543 nan 8.290 nan 0.000 0.537 117 N N 0.608 119.333 118.700 0.042 0.000 2.550 117 N HA 0.093 4.845 4.740 0.019 0.000 0.186 117 N C 2.295 177.784 175.510 -0.035 0.000 1.110 117 N CA 0.680 53.749 53.050 0.031 0.000 0.912 117 N CB -0.224 38.268 38.487 0.008 0.000 0.968 117 N HN 0.486 nan 8.380 nan 0.000 0.448 118 L N -0.563 120.569 121.223 -0.152 0.000 2.129 118 L HA -0.219 4.132 4.340 0.019 0.000 0.212 118 L C 1.383 178.108 176.870 -0.242 0.000 1.087 118 L CA 1.172 55.851 54.840 -0.268 0.000 0.757 118 L CB -0.490 41.309 42.059 -0.435 0.000 0.896 118 L HN 0.216 nan 8.230 nan 0.000 0.434 119 Y N -0.566 119.749 120.300 0.024 0.000 2.421 119 Y HA -0.188 4.372 4.550 0.018 0.000 0.292 119 Y C 2.086 177.997 175.900 0.019 0.000 1.136 119 Y CA 0.782 58.902 58.100 0.032 0.000 1.255 119 Y CB -0.388 38.101 38.460 0.048 0.000 0.991 119 Y HN 0.241 nan 8.280 nan 0.000 0.552 120 D N -0.284 120.186 120.400 0.117 0.000 2.349 120 D HA 0.091 4.743 4.640 0.019 0.000 0.214 120 D C 0.271 176.577 176.300 0.010 0.000 1.063 120 D CA 0.144 54.187 54.000 0.071 0.000 0.847 120 D CB 0.213 41.048 40.800 0.058 0.000 0.933 120 D HN 0.227 nan 8.370 nan 0.000 0.513 121 L N 0.996 122.203 121.223 -0.026 0.000 2.540 121 L HA 0.021 4.373 4.340 0.019 0.000 0.276 121 L C 1.974 178.794 176.870 -0.083 0.000 1.212 121 L CA -0.100 54.687 54.840 -0.089 0.000 0.893 121 L CB 0.649 42.644 42.059 -0.106 0.000 1.138 121 L HN 0.013 nan 8.230 nan 0.000 0.491 122 G N 1.945 110.621 108.800 -0.207 0.000 2.470 122 G HA2 -0.183 3.789 3.960 0.019 0.000 0.220 122 G HA3 -0.183 3.789 3.960 0.019 0.000 0.220 122 G C 1.230 176.110 174.900 -0.034 0.000 1.121 122 G CA 0.233 45.220 45.100 -0.189 0.000 0.766 122 G HN 0.730 nan 8.290 nan 0.000 0.553 123 E N -0.597 119.527 120.200 -0.127 0.000 2.274 123 E HA 0.096 4.458 4.350 0.019 0.000 0.194 123 E C 1.179 177.843 176.600 0.107 0.000 0.996 123 E CA 0.320 56.733 56.400 0.022 0.000 0.840 123 E CB 0.256 29.926 29.700 -0.051 0.000 0.772 123 E HN 0.421 nan 8.360 nan 0.000 0.491 124 V N -1.627 118.337 119.914 0.084 0.000 2.667 124 V HA 0.484 4.616 4.120 0.019 0.000 0.308 124 V C 0.598 176.776 176.094 0.139 0.000 1.048 124 V CA -0.297 62.066 62.300 0.106 0.000 0.928 124 V CB 1.910 33.767 31.823 0.056 0.000 1.004 124 V HN 0.083 nan 8.190 nan 0.000 0.444 125 T N -0.548 114.102 114.554 0.161 0.000 3.129 125 T HA 0.628 4.989 4.350 0.019 0.000 0.267 125 T C 0.566 175.318 174.700 0.087 0.000 1.018 125 T CA 0.302 62.475 62.100 0.121 0.000 0.903 125 T CB -0.296 68.645 68.868 0.122 0.000 1.067 125 T HN 1.736 nan 8.240 nan 0.000 0.549 126 G N 0.177 109.040 108.800 0.105 0.000 2.716 126 G HA2 0.519 4.490 3.960 0.019 0.000 0.299 126 G HA3 0.519 4.490 3.960 0.019 0.000 0.299 126 G C -1.978 172.994 174.900 0.120 0.000 1.450 126 G CA -0.557 44.607 45.100 0.105 0.000 0.968 126 G HN 0.318 nan 8.290 nan 0.000 0.566 127 V N 1.709 121.722 119.914 0.164 0.000 2.737 127 V HA 0.670 4.802 4.120 0.019 0.000 0.298 127 V C -0.342 175.939 176.094 0.312 0.000 1.163 127 V CA -0.825 61.583 62.300 0.181 0.000 0.925 127 V CB 2.022 33.892 31.823 0.078 0.000 1.037 127 V HN 0.957 nan 8.190 nan 0.000 0.433 128 R N 3.721 124.401 120.500 0.300 0.000 2.538 128 R HA 0.661 5.012 4.340 0.019 0.000 0.292 128 R C -1.602 174.880 176.300 0.304 0.000 1.008 128 R CA -0.858 55.436 56.100 0.323 0.000 0.896 128 R CB 1.877 32.293 30.300 0.194 0.000 1.187 128 R HN 0.618 nan 8.270 nan 0.000 0.440 129 L N 6.303 127.694 121.223 0.280 0.000 2.315 129 L HA 0.226 4.577 4.340 0.019 0.000 0.283 129 L C -0.053 176.800 176.870 -0.029 0.000 1.089 129 L CA 0.373 55.197 54.840 -0.027 0.000 0.833 129 L CB 0.827 42.901 42.059 0.026 0.000 1.170 129 L HN 0.854 nan 8.230 nan 0.000 0.442 130 L N 3.238 124.392 121.223 -0.115 0.000 2.221 130 L HA 0.253 4.605 4.340 0.019 0.000 0.202 130 L C 0.687 177.534 176.870 -0.038 0.000 1.074 130 L CA 0.648 55.471 54.840 -0.028 0.000 0.795 130 L CB -0.366 41.685 42.059 -0.013 0.000 0.960 130 L HN 0.825 nan 8.230 nan 0.000 0.458 131 S N -1.143 114.493 115.700 -0.107 0.000 2.587 131 S HA 0.674 5.156 4.470 0.019 0.000 0.269 131 S C -1.137 173.396 174.600 -0.112 0.000 1.154 131 S CA -0.907 57.246 58.200 -0.077 0.000 0.824 131 S CB 1.897 65.074 63.200 -0.038 0.000 1.118 131 S HN 0.008 nan 8.310 nan 0.000 0.462 132 L N 0.564 121.736 121.223 -0.085 0.000 2.388 132 L HA 0.698 5.049 4.340 0.019 0.000 0.264 132 L C -0.442 176.398 176.870 -0.050 0.000 0.998 132 L CA -0.804 53.989 54.840 -0.080 0.000 0.817 132 L CB 2.385 44.380 42.059 -0.108 0.000 1.338 132 L HN 0.701 nan 8.230 nan 0.000 0.414 133 R N 2.485 122.969 120.500 -0.027 0.000 2.483 133 R HA 0.654 5.006 4.340 0.019 0.000 0.303 133 R C -1.667 174.636 176.300 0.005 0.000 0.987 133 R CA -0.804 55.289 56.100 -0.012 0.000 0.881 133 R CB 2.007 32.305 30.300 -0.003 0.000 1.177 133 R HN 0.263 nan 8.270 nan 0.000 0.451 134 L N 4.100 125.333 121.223 0.017 0.000 2.346 134 L HA 0.549 4.901 4.340 0.019 0.000 0.274 134 L C -2.165 174.752 176.870 0.079 0.000 1.007 134 L CA -2.195 52.690 54.840 0.075 0.000 0.818 134 L CB 1.333 43.466 42.059 0.123 0.000 1.284 134 L HN 0.403 nan 8.230 nan 0.000 0.424 135 P HA 0.172 nan 4.420 nan 0.000 0.271 135 P C 0.103 177.471 177.300 0.114 0.000 1.218 135 P CA -0.284 62.867 63.100 0.086 0.000 0.780 135 P CB 0.807 32.553 31.700 0.076 0.000 0.901 136 A N 2.477 125.340 122.820 0.072 0.000 1.908 136 A HA -0.213 4.119 4.320 0.019 0.000 0.218 136 A C 2.138 179.770 177.584 0.080 0.000 1.181 136 A CA 2.381 54.455 52.037 0.061 0.000 0.627 136 A CB -1.727 17.296 19.000 0.037 0.000 0.818 136 A HN 0.632 nan 8.150 nan 0.000 0.445 137 S N -1.956 113.798 115.700 0.089 0.000 2.419 137 S HA -0.200 4.282 4.470 0.019 0.000 0.233 137 S C 1.893 176.582 174.600 0.148 0.000 1.016 137 S CA 1.417 59.670 58.200 0.089 0.000 0.974 137 S CB -0.654 62.589 63.200 0.072 0.000 0.786 137 S HN 0.621 nan 8.310 nan 0.000 0.492 138 Y N 2.697 123.027 120.300 0.050 0.000 2.206 138 Y HA 0.194 4.758 4.550 0.022 0.000 0.292 138 Y C 2.743 178.769 175.900 0.210 0.000 1.123 138 Y CA 1.037 59.199 58.100 0.103 0.000 1.142 138 Y CB -0.479 38.044 38.460 0.105 0.000 1.006 138 Y HN 0.087 nan 8.280 nan 0.000 0.518 139 R N 0.971 121.556 120.500 0.141 0.000 2.117 139 R HA -0.189 4.162 4.340 0.019 0.000 0.243 139 R C 2.064 178.420 176.300 0.094 0.000 1.143 139 R CA 1.424 57.563 56.100 0.066 0.000 0.968 139 R CB -0.840 29.473 30.300 0.021 0.000 0.863 139 R HN 0.459 nan 8.270 nan 0.000 0.444 140 A N 0.767 123.616 122.820 0.049 0.000 2.125 140 A HA -0.120 4.212 4.320 0.019 0.000 0.219 140 A C 1.965 179.523 177.584 -0.043 0.000 1.156 140 A CA 1.095 53.139 52.037 0.011 0.000 0.671 140 A CB -0.318 18.686 19.000 0.007 0.000 0.794 140 A HN 0.358 nan 8.150 nan 0.000 0.459 141 R N -1.959 118.470 120.500 -0.119 0.000 2.310 141 R HA 0.254 4.605 4.340 0.019 0.000 0.202 141 R C -0.263 175.706 176.300 -0.551 0.000 0.933 141 R CA -0.039 55.862 56.100 -0.330 0.000 1.054 141 R CB -0.000 30.038 30.300 -0.436 0.000 0.985 141 R HN 0.536 nan 8.270 nan 0.000 0.489 142 F N 0.249 120.068 119.950 -0.218 0.000 2.690 142 F HA 0.286 4.821 4.527 0.013 0.000 0.332 142 F C 0.889 176.613 175.800 -0.127 0.000 1.215 142 F CA -0.926 56.957 58.000 -0.196 0.000 1.086 142 F CB 0.396 39.242 39.000 -0.255 0.000 1.828 142 F HN -0.272 nan 8.300 nan 0.000 0.519 143 E N 1.210 121.486 120.200 0.126 0.000 2.179 143 E HA 0.420 4.782 4.350 0.019 0.000 0.275 143 E C -0.944 175.675 176.600 0.030 0.000 0.945 143 E CA -0.384 56.044 56.400 0.047 0.000 0.792 143 E CB 1.833 31.560 29.700 0.045 0.000 1.125 143 E HN 0.342 nan 8.360 nan 0.000 0.397 144 L N 3.472 124.701 121.223 0.011 0.000 2.399 144 L HA 0.346 4.698 4.340 0.019 0.000 0.265 144 L C -1.977 174.895 176.870 0.002 0.000 1.089 144 L CA -2.034 52.808 54.840 0.003 0.000 0.802 144 L CB 0.652 42.707 42.059 -0.006 0.000 1.180 144 L HN 0.195 nan 8.230 nan 0.000 0.454 145 P HA 0.027 nan 4.420 nan 0.000 0.267 145 P C -0.090 177.194 177.300 -0.026 0.000 1.205 145 P CA -0.007 63.102 63.100 0.015 0.000 0.765 145 P CB 0.715 32.438 31.700 0.039 0.000 0.828 146 R N 2.710 123.171 120.500 -0.067 0.000 2.115 146 R HA -0.123 4.228 4.340 0.019 0.000 0.230 146 R C 1.272 177.333 176.300 -0.397 0.000 1.111 146 R CA 1.360 57.316 56.100 -0.240 0.000 0.976 146 R CB 0.098 30.218 30.300 -0.300 0.000 0.870 146 R HN 0.621 nan 8.270 nan 0.000 0.445 147 H N -2.096 116.999 119.070 0.042 0.000 2.545 147 H HA 0.223 4.789 4.556 0.017 0.000 0.251 147 H C 1.267 176.637 175.328 0.071 0.000 0.934 147 H CA 0.674 56.756 56.048 0.056 0.000 1.116 147 H CB 0.148 29.949 29.762 0.065 0.000 1.439 147 H HN 0.340 nan 8.280 nan 0.000 0.445 148 G N 1.465 110.388 108.800 0.205 0.000 2.627 148 G HA2 -0.389 3.583 3.960 0.019 0.000 0.312 148 G HA3 -0.389 3.583 3.960 0.019 0.000 0.312 148 G C 1.376 176.385 174.900 0.182 0.000 1.299 148 G CA 1.522 46.724 45.100 0.171 0.000 0.989 148 G HN 0.228 nan 8.290 nan 0.000 0.547 149 V N 0.933 120.915 119.914 0.112 0.000 2.283 149 V HA 0.039 4.171 4.120 0.019 0.000 0.243 149 V C 3.444 179.585 176.094 0.079 0.000 1.039 149 V CA 3.317 65.662 62.300 0.075 0.000 1.016 149 V CB -1.400 30.446 31.823 0.039 0.000 0.650 149 V HN 1.376 nan 8.190 nan 0.000 0.449 150 A N 0.636 123.503 122.820 0.078 0.000 1.908 150 A HA -0.116 4.216 4.320 0.019 0.000 0.218 150 A C 2.400 180.045 177.584 0.101 0.000 1.181 150 A CA 2.083 54.163 52.037 0.072 0.000 0.627 150 A CB -1.293 17.744 19.000 0.062 0.000 0.818 150 A HN 0.541 nan 8.150 nan 0.000 0.445 151 G N -1.262 107.634 108.800 0.159 0.000 2.422 151 G HA2 -0.121 3.851 3.960 0.019 0.000 0.218 151 G HA3 -0.121 3.851 3.960 0.019 0.000 0.218 151 G C 1.549 176.516 174.900 0.113 0.000 1.146 151 G CA 1.620 46.853 45.100 0.222 0.000 0.769 151 G HN 0.445 nan 8.290 nan 0.000 0.547 152 T N 0.613 115.250 114.554 0.138 0.000 2.777 152 T HA -0.053 4.309 4.350 0.019 0.000 0.266 152 T C 2.459 177.204 174.700 0.075 0.000 1.040 152 T CA 0.936 63.114 62.100 0.130 0.000 1.141 152 T CB -0.119 68.887 68.868 0.229 0.000 0.868 152 T HN 0.241 nan 8.240 nan 0.000 0.444 153 R N 1.010 121.543 120.500 0.055 0.000 2.081 153 R HA 0.009 4.361 4.340 0.019 0.000 0.235 153 R C 2.859 179.179 176.300 0.034 0.000 1.131 153 R CA 1.326 57.443 56.100 0.029 0.000 0.960 153 R CB -0.527 29.784 30.300 0.017 0.000 0.856 153 R HN 0.378 nan 8.270 nan 0.000 0.436 154 A N 1.185 124.032 122.820 0.045 0.000 1.902 154 A HA -0.129 4.202 4.320 0.019 0.000 0.217 154 A C 2.160 179.764 177.584 0.033 0.000 1.181 154 A CA 1.204 53.267 52.037 0.042 0.000 0.623 154 A CB -0.483 18.552 19.000 0.058 0.000 0.818 154 A HN 0.187 nan 8.150 nan 0.000 0.443 155 L N -0.236 121.003 121.223 0.026 0.000 2.217 155 L HA -0.088 4.264 4.340 0.019 0.000 0.211 155 L C 2.560 179.453 176.870 0.038 0.000 1.107 155 L CA 1.570 56.419 54.840 0.016 0.000 0.783 155 L CB -0.331 41.712 42.059 -0.026 0.000 0.919 155 L HN 0.640 nan 8.230 nan 0.000 0.442 156 T N -5.698 108.886 114.554 0.050 0.000 3.060 156 T HA 0.018 4.380 4.350 0.019 0.000 0.249 156 T C 0.741 175.467 174.700 0.043 0.000 1.079 156 T CA 0.177 62.313 62.100 0.060 0.000 1.013 156 T CB -0.008 68.905 68.868 0.074 0.000 0.975 156 T HN 0.197 nan 8.240 nan 0.000 0.518 157 D N 0.395 120.814 120.400 0.032 0.000 2.708 157 D HA -0.143 4.508 4.640 0.019 0.000 0.236 157 D C -0.868 175.440 176.300 0.013 0.000 1.146 157 D CA 0.329 54.342 54.000 0.021 0.000 0.662 157 D CB -1.670 39.142 40.800 0.021 0.000 1.059 157 D HN 0.433 nan 8.370 nan 0.000 0.428 158 V N 1.375 121.293 119.914 0.006 0.000 2.378 158 V HA 0.362 4.494 4.120 0.019 0.000 0.288 158 V C 1.030 177.109 176.094 -0.024 0.000 1.016 158 V CA -0.677 61.614 62.300 -0.014 0.000 0.840 158 V CB 1.882 33.688 31.823 -0.027 0.000 0.994 158 V HN -0.015 nan 8.190 nan 0.000 0.431 159 K N 1.402 121.785 120.400 -0.028 0.000 2.306 159 K HA 0.264 4.596 4.320 0.019 0.000 0.200 159 K C 0.212 176.791 176.600 -0.035 0.000 1.083 159 K CA 0.605 56.878 56.287 -0.023 0.000 0.959 159 K CB 0.483 32.976 32.500 -0.012 0.000 0.994 159 K HN 0.554 nan 8.250 nan 0.000 0.492 160 D N 1.216 121.587 120.400 -0.048 0.000 2.895 160 D HA 0.131 4.783 4.640 0.019 0.000 0.350 160 D C -0.452 175.795 176.300 -0.088 0.000 1.389 160 D CA -0.023 53.946 54.000 -0.051 0.000 0.812 160 D CB 0.880 41.661 40.800 -0.031 0.000 1.164 160 D HN 0.196 nan 8.370 nan 0.000 0.455 161 R N -1.854 118.563 120.500 -0.139 0.000 2.741 161 R HA 0.537 4.889 4.340 0.019 0.000 0.276 161 R C -3.416 172.674 176.300 -0.351 0.000 1.028 161 R CA -1.365 54.586 56.100 -0.248 0.000 0.865 161 R CB 0.426 30.601 30.300 -0.208 0.000 1.268 161 R HN -0.310 nan 8.270 nan 0.000 0.475 162 P HA 0.181 nan 4.420 nan 0.000 0.274 162 P C -0.763 176.300 177.300 -0.395 0.000 1.246 162 P CA -0.404 62.324 63.100 -0.619 0.000 0.795 162 P CB 0.535 31.533 31.700 -1.170 0.000 1.006 163 M N 1.554 121.004 119.600 -0.250 0.000 2.216 163 M HA 0.276 4.767 4.480 0.019 0.000 0.356 163 M C -0.221 176.034 176.300 -0.074 0.000 1.205 163 M CA 0.004 55.224 55.300 -0.132 0.000 1.122 163 M CB 0.422 32.959 32.600 -0.104 0.000 1.571 163 M HN 0.076 nan 8.290 nan 0.000 0.464 164 I N 2.426 123.005 120.570 0.014 0.000 2.354 164 I HA 0.600 4.782 4.170 0.019 0.000 0.292 164 I C 0.500 176.711 176.117 0.155 0.000 0.989 164 I CA -0.288 61.087 61.300 0.125 0.000 1.188 164 I CB 0.630 38.719 38.000 0.149 0.000 1.342 164 I HN 0.761 nan 8.210 nan 0.000 0.457 165 G N 3.312 112.217 108.800 0.175 0.000 2.630 165 G HA2 0.711 4.683 3.960 0.019 0.000 0.296 165 G HA3 0.711 4.683 3.960 0.019 0.000 0.296 165 G C -1.080 173.936 174.900 0.193 0.000 1.285 165 G CA -0.376 44.882 45.100 0.263 0.000 0.958 165 G HN 0.540 nan 8.290 nan 0.000 0.479 166 T N -1.215 113.452 114.554 0.188 0.000 2.816 166 T HA 0.594 4.956 4.350 0.019 0.000 0.299 166 T C -1.543 173.211 174.700 0.090 0.000 1.230 166 T CA -0.361 61.806 62.100 0.111 0.000 1.007 166 T CB 1.373 70.280 68.868 0.065 0.000 1.289 166 T HN 0.350 nan 8.240 nan 0.000 0.508 167 I N 2.021 122.630 120.570 0.064 0.000 2.493 167 I HA 0.504 4.686 4.170 0.019 0.000 0.298 167 I C 0.084 176.204 176.117 0.005 0.000 0.998 167 I CA -0.620 60.706 61.300 0.045 0.000 1.137 167 I CB 1.513 39.559 38.000 0.078 0.000 1.310 167 I HN 0.567 nan 8.210 nan 0.000 0.445 168 I N 6.239 126.796 120.570 -0.023 0.000 2.587 168 I HA 0.063 4.245 4.170 0.019 0.000 0.284 168 I C 0.145 176.256 176.117 -0.010 0.000 1.134 168 I CA 0.314 61.597 61.300 -0.028 0.000 1.410 168 I CB -0.143 37.830 38.000 -0.045 0.000 1.392 168 I HN 0.366 nan 8.210 nan 0.000 0.545 169 K N 7.991 128.386 120.400 -0.008 0.000 2.371 169 K HA 0.525 4.857 4.320 0.019 0.000 0.251 169 K C -2.320 174.273 176.600 -0.011 0.000 0.934 169 K CA -1.697 54.587 56.287 -0.005 0.000 0.798 169 K CB 1.798 34.300 32.500 0.002 0.000 1.204 169 K HN 0.289 nan 8.250 nan 0.000 0.427 170 P HA 0.096 nan 4.420 nan 0.000 0.270 170 P C 0.273 177.567 177.300 -0.011 0.000 1.223 170 P CA -0.233 62.857 63.100 -0.015 0.000 0.785 170 P CB 0.681 32.364 31.700 -0.029 0.000 0.923 171 N N -0.360 118.338 118.700 -0.004 0.000 2.104 171 N HA -0.074 4.678 4.740 0.019 0.000 0.190 171 N C 0.640 176.153 175.510 0.005 0.000 1.024 171 N CA 1.018 54.070 53.050 0.003 0.000 0.853 171 N CB -0.229 38.263 38.487 0.009 0.000 1.008 171 N HN 0.284 nan 8.380 nan 0.000 0.424 172 V N -2.444 117.471 119.914 0.003 0.000 3.048 172 V HA 0.561 4.693 4.120 0.019 0.000 0.303 172 V C 0.238 176.312 176.094 -0.033 0.000 1.214 172 V CA 0.229 62.542 62.300 0.022 0.000 0.984 172 V CB 1.631 33.490 31.823 0.061 0.000 1.054 172 V HN 0.425 nan 8.190 nan 0.000 0.430 173 G N 4.343 113.103 108.800 -0.065 0.000 2.545 173 G HA2 -0.107 3.865 3.960 0.019 0.000 0.195 173 G HA3 -0.107 3.865 3.960 0.019 0.000 0.195 173 G C -0.004 174.759 174.900 -0.228 0.000 1.009 173 G CA -0.041 44.849 45.100 -0.350 0.000 0.703 173 G HN 0.915 nan 8.290 nan 0.000 0.479 174 L N 2.724 123.897 121.223 -0.083 0.000 2.461 174 L HA 0.455 4.807 4.340 0.019 0.000 0.272 174 L C 1.667 178.541 176.870 0.007 0.000 1.197 174 L CA 0.265 55.081 54.840 -0.039 0.000 0.836 174 L CB 0.919 42.968 42.059 -0.018 0.000 1.105 174 L HN 0.526 nan 8.230 nan 0.000 0.477 175 S N 1.585 117.291 115.700 0.011 0.000 2.617 175 S HA 0.283 4.764 4.470 0.019 0.000 0.259 175 S C 1.092 175.709 174.600 0.029 0.000 1.301 175 S CA -0.183 58.038 58.200 0.034 0.000 0.984 175 S CB 1.351 64.566 63.200 0.024 0.000 0.954 175 S HN 0.688 nan 8.310 nan 0.000 0.572 176 A N 1.306 124.143 122.820 0.029 0.000 1.902 176 A HA 0.125 4.457 4.320 0.019 0.000 0.217 176 A C 2.431 180.028 177.584 0.020 0.000 1.181 176 A CA 1.938 53.989 52.037 0.024 0.000 0.623 176 A CB -1.766 17.242 19.000 0.013 0.000 0.818 176 A HN 1.358 nan 8.150 nan 0.000 0.443 177 A N -0.277 122.552 122.820 0.015 0.000 1.902 177 A HA -0.174 4.157 4.320 0.019 0.000 0.217 177 A C 1.919 179.509 177.584 0.009 0.000 1.181 177 A CA 1.686 53.730 52.037 0.012 0.000 0.623 177 A CB -0.544 18.461 19.000 0.009 0.000 0.818 177 A HN 0.639 nan 8.150 nan 0.000 0.443 178 E N -0.855 119.349 120.200 0.007 0.000 2.110 178 E HA -0.120 4.242 4.350 0.019 0.000 0.193 178 E C 2.058 178.658 176.600 -0.000 0.000 0.988 178 E CA 1.550 57.951 56.400 0.000 0.000 0.804 178 E CB -0.268 29.429 29.700 -0.005 0.000 0.745 178 E HN 0.614 nan 8.360 nan 0.000 0.458 179 T N 0.869 115.427 114.554 0.007 0.000 2.708 179 T HA -0.152 4.209 4.350 0.019 0.000 0.266 179 T C 2.029 176.732 174.700 0.006 0.000 1.037 179 T CA 1.206 63.310 62.100 0.008 0.000 1.146 179 T CB -0.246 68.637 68.868 0.026 0.000 0.865 179 T HN 0.247 nan 8.240 nan 0.000 0.435 180 A N 1.551 124.381 122.820 0.018 0.000 1.908 180 A HA 0.108 4.439 4.320 0.019 0.000 0.218 180 A C 2.651 180.236 177.584 0.001 0.000 1.181 180 A CA 1.917 53.965 52.037 0.018 0.000 0.627 180 A CB -1.143 17.873 19.000 0.026 0.000 0.818 180 A HN 0.511 nan 8.150 nan 0.000 0.445 181 A N -0.570 122.249 122.820 -0.000 0.000 1.902 181 A HA -0.023 4.308 4.320 0.019 0.000 0.217 181 A C 2.138 179.711 177.584 -0.018 0.000 1.181 181 A CA 1.765 53.798 52.037 -0.006 0.000 0.623 181 A CB -0.592 18.406 19.000 -0.003 0.000 0.818 181 A HN 0.748 nan 8.150 nan 0.000 0.443 182 L N -0.086 121.125 121.223 -0.021 0.000 2.027 182 L HA -0.075 4.276 4.340 0.019 0.000 0.206 182 L C 2.339 179.178 176.870 -0.051 0.000 1.074 182 L CA 1.890 56.711 54.840 -0.031 0.000 0.745 182 L CB -0.690 41.353 42.059 -0.026 0.000 0.898 182 L HN 0.128 nan 8.230 nan 0.000 0.433 183 V N 0.180 120.061 119.914 -0.055 0.000 2.332 183 V HA -0.306 3.826 4.120 0.019 0.000 0.248 183 V C 2.852 178.878 176.094 -0.113 0.000 1.055 183 V CA 1.940 64.188 62.300 -0.087 0.000 1.038 183 V CB -0.814 30.963 31.823 -0.077 0.000 0.651 183 V HN 0.534 nan 8.190 nan 0.000 0.450 184 R N 0.911 121.363 120.500 -0.080 0.000 2.083 184 R HA -0.198 4.153 4.340 0.019 0.000 0.237 184 R C 2.102 178.328 176.300 -0.124 0.000 1.137 184 R CA 2.109 58.154 56.100 -0.091 0.000 0.951 184 R CB -0.647 29.637 30.300 -0.027 0.000 0.851 184 R HN 0.650 nan 8.270 nan 0.000 0.434 185 E N -0.113 120.037 120.200 -0.082 0.000 2.077 185 E HA -0.155 4.207 4.350 0.019 0.000 0.193 185 E C 2.041 178.581 176.600 -0.101 0.000 0.989 185 E CA 1.512 57.869 56.400 -0.072 0.000 0.800 185 E CB -0.188 29.487 29.700 -0.041 0.000 0.746 185 E HN 0.312 nan 8.360 nan 0.000 0.452 186 L N 0.373 121.529 121.223 -0.113 0.000 2.056 186 L HA -0.206 4.145 4.340 0.019 0.000 0.207 186 L C 2.602 179.357 176.870 -0.190 0.000 1.078 186 L CA 0.677 55.448 54.840 -0.114 0.000 0.749 186 L CB -0.499 41.502 42.059 -0.098 0.000 0.901 186 L HN 0.313 nan 8.230 nan 0.000 0.433 187 C N -0.013 119.088 119.300 -0.332 0.000 2.413 187 C HA -0.137 4.335 4.460 0.019 0.000 0.276 187 C C 2.739 177.336 174.990 -0.655 0.000 1.236 187 C CA 0.592 59.209 59.018 -0.669 0.000 1.735 187 C CB -0.719 26.334 27.740 -1.144 0.000 2.031 187 C HN 0.502 nan 8.230 nan 0.000 0.474 188 E N 0.863 120.811 120.200 -0.419 0.000 2.153 188 E HA -0.133 4.229 4.350 0.019 0.000 0.194 188 E C 2.287 178.871 176.600 -0.027 0.000 0.988 188 E CA 1.347 57.690 56.400 -0.097 0.000 0.811 188 E CB -0.493 29.198 29.700 -0.015 0.000 0.746 188 E HN 0.697 nan 8.360 nan 0.000 0.466 189 A N 0.195 122.977 122.820 -0.063 0.000 2.067 189 A HA 0.081 4.413 4.320 0.019 0.000 0.219 189 A C 1.819 179.405 177.584 0.003 0.000 1.158 189 A CA 1.576 53.600 52.037 -0.021 0.000 0.661 189 A CB -0.205 18.782 19.000 -0.022 0.000 0.801 189 A HN 0.341 nan 8.150 nan 0.000 0.452 190 G N -1.565 107.232 108.800 -0.005 0.000 2.154 190 G HA2 -0.048 3.923 3.960 0.019 0.000 0.186 190 G HA3 -0.048 3.923 3.960 0.019 0.000 0.186 190 G C 0.344 175.272 174.900 0.047 0.000 1.000 190 G CA 0.310 45.438 45.100 0.048 0.000 0.664 190 G HN 1.615 nan 8.290 nan 0.000 0.513 191 V N -2.088 117.836 119.914 0.017 0.000 3.237 191 V HA 0.548 4.680 4.120 0.019 0.000 0.305 191 V C 0.990 177.119 176.094 0.059 0.000 1.096 191 V CA 0.738 63.066 62.300 0.047 0.000 1.130 191 V CB 1.139 32.985 31.823 0.039 0.000 1.048 191 V HN 0.086 nan 8.190 nan 0.000 0.484 192 D N 0.388 120.846 120.400 0.096 0.000 2.392 192 D HA 0.211 4.862 4.640 0.019 0.000 0.206 192 D C -0.216 176.185 176.300 0.168 0.000 1.046 192 D CA 0.996 55.064 54.000 0.113 0.000 0.865 192 D CB 0.934 41.792 40.800 0.097 0.000 0.969 192 D HN 0.590 nan 8.370 nan 0.000 0.509 193 F N 0.850 120.784 119.950 -0.026 0.000 2.615 193 F HA 0.441 4.978 4.527 0.017 0.000 0.312 193 F C -1.683 174.074 175.800 -0.071 0.000 1.119 193 F CA -0.725 57.246 58.000 -0.049 0.000 0.979 193 F CB 1.550 40.529 39.000 -0.035 0.000 1.266 193 F HN -0.357 nan 8.300 nan 0.000 0.444 197 D N 0.574 120.964 120.400 -0.017 0.000 2.382 197 D HA 0.021 4.673 4.640 0.019 0.000 0.240 197 D C 1.596 177.842 176.300 -0.091 0.000 1.146 197 D CA -0.045 53.935 54.000 -0.032 0.000 0.897 197 D CB 0.975 41.770 40.800 -0.009 0.000 1.197 197 D HN 0.292 nan 8.370 nan 0.000 0.432 198 E N 2.171 122.237 120.200 -0.223 0.000 2.333 198 E HA -0.164 4.198 4.350 0.019 0.000 0.198 198 E C 1.645 178.192 176.600 -0.087 0.000 1.007 198 E CA 1.061 57.302 56.400 -0.266 0.000 0.845 198 E CB -0.490 28.868 29.700 -0.571 0.000 0.766 198 E HN 0.372 nan 8.360 nan 0.000 0.507 199 V N -1.108 118.778 119.914 -0.047 0.000 3.623 199 V HA 0.183 4.314 4.120 0.019 0.000 0.271 199 V C 0.997 177.093 176.094 0.002 0.000 1.248 199 V CA 0.073 62.367 62.300 -0.011 0.000 1.156 199 V CB -0.743 31.081 31.823 0.003 0.000 0.870 199 V HN 0.308 nan 8.190 nan 0.000 0.453 200 C N 0.964 120.264 119.300 -0.000 0.000 2.264 200 C HA 0.894 5.366 4.460 0.019 0.000 0.322 200 C C 1.026 176.025 174.990 0.014 0.000 1.210 200 C CA 0.339 59.366 59.018 0.016 0.000 1.539 200 C CB 0.239 27.991 27.740 0.020 0.000 2.167 200 C HN 0.681 nan 8.230 nan 0.000 0.463 201 A N 4.660 127.487 122.820 0.011 0.000 1.922 201 A HA 0.406 4.738 4.320 0.019 0.000 0.192 201 A C 0.769 178.332 177.584 -0.035 0.000 2.007 201 A CA 0.261 52.300 52.037 0.004 0.000 1.054 201 A CB -0.030 18.984 19.000 0.024 0.000 1.106 201 A HN 0.607 nan 8.150 nan 0.000 0.639 202 N N 1.019 119.700 118.700 -0.032 0.000 2.642 202 N HA 0.314 5.066 4.740 0.019 0.000 0.308 202 N C -2.916 172.569 175.510 -0.042 0.000 1.914 202 N CA -1.596 51.420 53.050 -0.057 0.000 0.893 202 N CB 0.734 39.191 38.487 -0.051 0.000 1.322 202 N HN 0.265 nan 8.380 nan 0.000 0.490 203 P HA 0.156 nan 4.420 nan 0.000 0.272 203 P C 0.633 177.863 177.300 -0.117 0.000 1.230 203 P CA -0.223 62.836 63.100 -0.068 0.000 0.788 203 P CB 1.170 32.878 31.700 0.013 0.000 0.949 204 A N 1.855 124.535 122.820 -0.232 0.000 1.972 204 A HA -0.220 4.111 4.320 0.019 0.000 0.219 204 A C 1.886 179.370 177.584 -0.167 0.000 1.169 204 A CA 1.595 53.504 52.037 -0.214 0.000 0.635 204 A CB -1.663 17.186 19.000 -0.251 0.000 0.810 204 A HN 0.739 nan 8.150 nan 0.000 0.446 205 H N -0.850 118.215 119.070 -0.009 0.000 2.421 205 H HA 0.255 4.823 4.556 0.020 0.000 0.298 205 H C 0.912 176.235 175.328 -0.009 0.000 1.087 205 H CA 0.883 56.926 56.048 -0.008 0.000 1.330 205 H CB 0.043 29.801 29.762 -0.007 0.000 1.388 205 H HN 0.529 nan 8.280 nan 0.000 0.526 206 A N 0.207 123.080 122.820 0.089 0.000 3.277 206 A HA 0.287 4.619 4.320 0.019 0.000 0.281 206 A C -2.805 174.781 177.584 0.004 0.000 1.179 206 A CA -1.205 50.859 52.037 0.046 0.000 0.879 206 A CB 0.265 19.301 19.000 0.059 0.000 1.374 206 A HN -0.066 nan 8.150 nan 0.000 0.590 207 P HA -0.046 nan 4.420 nan 0.000 0.266 207 P C 1.486 178.740 177.300 -0.077 0.000 1.193 207 P CA -0.264 62.806 63.100 -0.049 0.000 0.770 207 P CB 0.705 32.380 31.700 -0.041 0.000 0.836 208 L N 3.441 124.582 121.223 -0.136 0.000 1.997 208 L HA -0.309 4.043 4.340 0.019 0.000 0.216 208 L C 1.865 178.616 176.870 -0.199 0.000 1.074 208 L CA 3.011 57.721 54.840 -0.217 0.000 0.763 208 L CB -1.620 40.158 42.059 -0.468 0.000 0.890 208 L HN 0.434 nan 8.230 nan 0.000 0.434 209 A N -0.270 122.461 122.820 -0.148 0.000 1.865 209 A HA -0.257 4.075 4.320 0.019 0.000 0.217 209 A C 2.041 179.564 177.584 -0.101 0.000 1.191 209 A CA 1.890 53.862 52.037 -0.109 0.000 0.623 209 A CB -0.647 18.323 19.000 -0.050 0.000 0.826 209 A HN 0.648 nan 8.150 nan 0.000 0.444 210 E N -1.000 119.158 120.200 -0.070 0.000 2.077 210 E HA -0.208 4.154 4.350 0.019 0.000 0.193 210 E C 2.328 178.898 176.600 -0.050 0.000 0.989 210 E CA 1.191 57.562 56.400 -0.048 0.000 0.800 210 E CB -0.180 29.505 29.700 -0.026 0.000 0.746 210 E HN 0.596 nan 8.360 nan 0.000 0.452 211 R N 0.799 121.266 120.500 -0.054 0.000 2.081 211 R HA -0.127 4.224 4.340 0.019 0.000 0.235 211 R C 2.298 178.566 176.300 -0.053 0.000 1.131 211 R CA 1.079 57.169 56.100 -0.015 0.000 0.960 211 R CB -0.123 30.189 30.300 0.020 0.000 0.856 211 R HN 0.016 nan 8.270 nan 0.000 0.436 212 V N 1.115 120.874 119.914 -0.257 0.000 2.295 212 V HA -0.257 3.875 4.120 0.019 0.000 0.246 212 V C 2.414 178.350 176.094 -0.263 0.000 1.049 212 V CA 2.031 63.981 62.300 -0.585 0.000 1.024 212 V CB -0.518 30.851 31.823 -0.757 0.000 0.648 212 V HN 0.395 nan 8.190 nan 0.000 0.447 213 R N 0.146 120.551 120.500 -0.158 0.000 2.073 213 R HA -0.137 4.215 4.340 0.019 0.000 0.234 213 R C 2.443 178.728 176.300 -0.025 0.000 1.134 213 R CA 1.584 57.638 56.100 -0.077 0.000 0.952 213 R CB -0.650 29.615 30.300 -0.058 0.000 0.850 213 R HN 0.540 nan 8.270 nan 0.000 0.433 214 A N 0.673 123.486 122.820 -0.011 0.000 1.873 214 A HA -0.093 4.239 4.320 0.019 0.000 0.215 214 A C 2.394 180.005 177.584 0.046 0.000 1.186 214 A CA 1.287 53.334 52.037 0.017 0.000 0.616 214 A CB -0.539 18.471 19.000 0.017 0.000 0.823 214 A HN 0.111 nan 8.150 nan 0.000 0.442 215 V N -0.055 119.911 119.914 0.087 0.000 2.295 215 V HA -0.271 3.861 4.120 0.019 0.000 0.246 215 V C 2.651 178.835 176.094 0.149 0.000 1.049 215 V CA 1.990 64.376 62.300 0.144 0.000 1.024 215 V CB -0.642 31.358 31.823 0.295 0.000 0.648 215 V HN 0.487 nan 8.190 nan 0.000 0.447 216 M N -0.397 119.299 119.600 0.160 0.000 2.229 216 M HA -0.100 4.391 4.480 0.019 0.000 0.264 216 M C 2.479 178.826 176.300 0.079 0.000 1.063 216 M CA 1.617 56.997 55.300 0.134 0.000 1.114 216 M CB -1.560 31.096 32.600 0.093 0.000 1.387 216 M HN 0.462 nan 8.290 nan 0.000 0.420 217 S N 0.383 116.116 115.700 0.055 0.000 2.359 217 S HA -0.164 4.317 4.470 0.019 0.000 0.224 217 S C 1.811 176.444 174.600 0.055 0.000 1.035 217 S CA 1.305 59.531 58.200 0.044 0.000 1.018 217 S CB 0.022 63.240 63.200 0.030 0.000 0.876 217 S HN 0.415 nan 8.310 nan 0.000 0.448 218 E N 0.476 120.710 120.200 0.058 0.000 2.072 218 E HA -0.064 4.297 4.350 0.019 0.000 0.191 218 E C 2.315 178.971 176.600 0.093 0.000 0.985 218 E CA 1.106 57.544 56.400 0.063 0.000 0.801 218 E CB -0.614 29.109 29.700 0.038 0.000 0.750 218 E HN 0.457 nan 8.360 nan 0.000 0.452 219 V N 1.553 121.519 119.914 0.087 0.000 2.343 219 V HA -0.238 3.893 4.120 0.019 0.000 0.247 219 V C 2.425 178.600 176.094 0.136 0.000 1.051 219 V CA 1.690 64.055 62.300 0.109 0.000 1.036 219 V CB -0.465 31.404 31.823 0.077 0.000 0.654 219 V HN 0.182 nan 8.190 nan 0.000 0.451 220 R N -0.239 120.319 120.500 0.096 0.000 2.073 220 R HA -0.158 4.194 4.340 0.019 0.000 0.234 220 R C 2.556 178.895 176.300 0.065 0.000 1.134 220 R CA 1.699 57.842 56.100 0.071 0.000 0.952 220 R CB -0.417 29.914 30.300 0.052 0.000 0.850 220 R HN 0.404 nan 8.270 nan 0.000 0.433 221 R N 0.020 120.564 120.500 0.074 0.000 2.096 221 R HA -0.191 4.161 4.340 0.019 0.000 0.235 221 R C 2.135 178.481 176.300 0.076 0.000 1.127 221 R CA 1.441 57.578 56.100 0.061 0.000 0.968 221 R CB -0.288 30.049 30.300 0.062 0.000 0.861 221 R HN 0.249 nan 8.270 nan 0.000 0.440 222 Y N 1.192 121.496 120.300 0.008 0.000 2.181 222 Y HA -0.199 4.363 4.550 0.019 0.000 0.288 222 Y C 2.461 178.364 175.900 0.006 0.000 1.146 222 Y CA 1.760 59.864 58.100 0.005 0.000 1.164 222 Y CB -0.221 38.241 38.460 0.003 0.000 0.982 222 Y HN -0.049 nan 8.280 nan 0.000 0.515 223 R N 0.662 121.134 120.500 -0.046 0.000 2.073 223 R HA -0.198 4.154 4.340 0.019 0.000 0.234 223 R C 2.041 178.255 176.300 -0.144 0.000 1.134 223 R CA 2.112 58.141 56.100 -0.119 0.000 0.952 223 R CB -0.300 30.001 30.300 0.002 0.000 0.850 223 R HN 0.527 nan 8.270 nan 0.000 0.433 224 E N -0.205 119.947 120.200 -0.080 0.000 2.070 224 E HA -0.224 4.138 4.350 0.019 0.000 0.197 224 E C 2.258 178.800 176.600 -0.096 0.000 1.004 224 E CA 1.617 57.978 56.400 -0.064 0.000 0.805 224 E CB -0.045 29.637 29.700 -0.029 0.000 0.744 224 E HN 0.369 nan 8.360 nan 0.000 0.451 225 R N 0.060 120.482 120.500 -0.130 0.000 2.093 225 R HA -0.019 4.333 4.340 0.019 0.000 0.224 225 R C 2.556 178.742 176.300 -0.189 0.000 1.101 225 R CA 1.431 57.454 56.100 -0.128 0.000 0.979 225 R CB -0.006 30.240 30.300 -0.090 0.000 0.877 225 R HN 0.149 nan 8.270 nan 0.000 0.441 226 S N -1.354 114.134 115.700 -0.352 0.000 2.497 226 S HA 0.150 4.632 4.470 0.019 0.000 0.218 226 S C 1.507 175.961 174.600 -0.244 0.000 1.023 226 S CA 0.392 58.367 58.200 -0.376 0.000 0.913 226 S CB 0.951 63.669 63.200 -0.803 0.000 0.800 226 S HN 0.434 nan 8.310 nan 0.000 0.505 227 G N 1.683 110.355 108.800 -0.212 0.000 2.162 227 G HA2 -0.271 3.701 3.960 0.019 0.000 0.260 227 G HA3 -0.271 3.701 3.960 0.019 0.000 0.260 227 G C 0.029 174.870 174.900 -0.098 0.000 0.976 227 G CA 0.187 45.215 45.100 -0.120 0.000 0.655 227 G HN 0.615 nan 8.290 nan 0.000 0.533 228 R N 0.925 121.334 120.500 -0.151 0.000 2.265 228 R HA 0.458 4.810 4.340 0.019 0.000 0.328 228 R C -2.679 173.652 176.300 0.052 0.000 0.969 228 R CA -1.852 54.233 56.100 -0.025 0.000 0.832 228 R CB 1.640 31.976 30.300 0.060 0.000 1.139 228 R HN 0.114 nan 8.270 nan 0.000 0.457 229 P HA 0.123 nan 4.420 nan 0.000 0.275 229 P C -0.714 176.661 177.300 0.126 0.000 1.227 229 P CA -0.378 62.776 63.100 0.090 0.000 0.781 229 P CB 1.018 32.752 31.700 0.056 0.000 0.906 230 V N 4.075 124.060 119.914 0.120 0.000 2.483 230 V HA 0.360 4.492 4.120 0.019 0.000 0.297 230 V C 0.165 176.255 176.094 -0.007 0.000 1.027 230 V CA -0.678 61.659 62.300 0.061 0.000 0.855 230 V CB 1.630 33.464 31.823 0.019 0.000 0.995 230 V HN 0.588 nan 8.190 nan 0.000 0.424 231 M N 5.871 125.461 119.600 -0.018 0.000 2.146 231 M HA 0.513 5.005 4.480 0.019 0.000 0.352 231 M C -1.276 174.795 176.300 -0.383 0.000 1.343 231 M CA -0.061 55.187 55.300 -0.086 0.000 1.115 231 M CB 0.951 33.609 32.600 0.097 0.000 1.657 231 M HN 0.465 nan 8.290 nan 0.000 0.471 232 V N 5.520 125.182 119.914 -0.420 0.000 2.370 232 V HA 0.517 4.648 4.120 0.019 0.000 0.283 232 V C 0.146 175.793 176.094 -0.745 0.000 1.023 232 V CA -0.823 61.040 62.300 -0.728 0.000 0.857 232 V CB 1.141 32.447 31.823 -0.861 0.000 0.985 232 V HN 0.933 nan 8.190 nan 0.000 0.443 233 A N 5.919 128.254 122.820 -0.809 0.000 2.527 233 A HA 0.637 4.968 4.320 0.019 0.000 0.313 233 A C -0.411 176.958 177.584 -0.358 0.000 1.410 233 A CA -0.220 51.556 52.037 -0.435 0.000 1.060 233 A CB -0.559 18.226 19.000 -0.358 0.000 1.137 233 A HN 0.599 nan 8.150 nan 0.000 0.542 234 F N 1.933 121.835 119.950 -0.080 0.000 2.467 234 F HA 0.142 4.680 4.527 0.018 0.000 0.362 234 F C 1.026 176.821 175.800 -0.009 0.000 1.090 234 F CA -0.130 57.840 58.000 -0.051 0.000 1.202 234 F CB 0.594 39.567 39.000 -0.045 0.000 1.113 234 F HN 0.594 nan 8.300 nan 0.000 0.541 235 N N 4.965 123.759 118.700 0.156 0.000 2.402 235 N HA 0.064 4.815 4.740 0.019 0.000 0.259 235 N C 0.512 176.084 175.510 0.103 0.000 1.167 235 N CA -0.030 53.087 53.050 0.113 0.000 0.949 235 N CB 0.134 38.657 38.487 0.060 0.000 1.212 235 N HN 0.650 nan 8.380 nan 0.000 0.493 236 I N -0.401 120.249 120.570 0.132 0.000 3.928 236 I HA 0.248 4.430 4.170 0.019 0.000 0.335 236 I C -0.015 176.229 176.117 0.211 0.000 1.325 236 I CA -0.433 60.962 61.300 0.157 0.000 1.107 236 I CB -0.379 37.753 38.000 0.219 0.000 1.014 236 I HN 0.065 nan 8.210 nan 0.000 0.400 237 T N 3.361 118.003 114.554 0.146 0.000 2.718 237 T HA -0.011 4.350 4.350 0.019 0.000 0.265 237 T C -0.136 174.655 174.700 0.153 0.000 1.014 237 T CA 1.056 63.240 62.100 0.139 0.000 1.172 237 T CB -0.078 68.862 68.868 0.120 0.000 1.007 237 T HN 0.530 nan 8.240 nan 0.000 0.500 238 D N 0.623 121.110 120.400 0.145 0.000 2.804 238 D HA 0.110 4.762 4.640 0.019 0.000 0.309 238 D C -1.053 175.296 176.300 0.082 0.000 1.311 238 D CA -0.714 53.363 54.000 0.128 0.000 0.765 238 D CB 1.112 42.029 40.800 0.196 0.000 1.293 238 D HN 0.536 nan 8.370 nan 0.000 0.434 239 D N 0.642 121.074 120.400 0.054 0.000 2.548 239 D HA -0.099 4.552 4.640 0.019 0.000 0.231 239 D C 1.603 177.909 176.300 0.009 0.000 1.142 239 D CA -0.086 53.932 54.000 0.031 0.000 0.866 239 D CB 0.607 41.415 40.800 0.014 0.000 1.190 239 D HN 0.259 nan 8.370 nan 0.000 0.469 240 L N 3.222 124.456 121.223 0.019 0.000 2.012 240 L HA -0.178 4.174 4.340 0.019 0.000 0.210 240 L C 1.078 177.935 176.870 -0.022 0.000 1.073 240 L CA 1.978 56.826 54.840 0.014 0.000 0.748 240 L CB -1.009 41.068 42.059 0.030 0.000 0.891 240 L HN 0.612 nan 8.230 nan 0.000 0.431 241 D N 0.335 120.717 120.400 -0.030 0.000 2.123 241 D HA -0.157 4.495 4.640 0.019 0.000 0.196 241 D C 2.216 178.448 176.300 -0.114 0.000 0.992 241 D CA 1.591 55.561 54.000 -0.051 0.000 0.833 241 D CB -0.013 40.765 40.800 -0.037 0.000 0.954 241 D HN 0.485 nan 8.370 nan 0.000 0.455 242 A N 0.761 123.487 122.820 -0.155 0.000 1.902 242 A HA -0.153 4.178 4.320 0.019 0.000 0.217 242 A C 2.291 179.508 177.584 -0.612 0.000 1.181 242 A CA 1.253 53.077 52.037 -0.355 0.000 0.623 242 A CB -0.535 18.309 19.000 -0.260 0.000 0.818 242 A HN 0.139 nan 8.150 nan 0.000 0.443 243 M N -1.179 118.251 119.600 -0.283 0.000 2.108 243 M HA -0.199 4.292 4.480 0.019 0.000 0.261 243 M C 2.416 178.669 176.300 -0.079 0.000 1.066 243 M CA 1.652 56.882 55.300 -0.117 0.000 1.107 243 M CB -0.412 32.206 32.600 0.029 0.000 1.356 243 M HN 0.392 nan 8.290 nan 0.000 0.406 244 R N -0.353 120.100 120.500 -0.078 0.000 2.081 244 R HA -0.098 4.254 4.340 0.019 0.000 0.235 244 R C 2.286 178.558 176.300 -0.046 0.000 1.131 244 R CA 1.294 57.373 56.100 -0.035 0.000 0.960 244 R CB -0.220 30.066 30.300 -0.024 0.000 0.856 244 R HN 0.395 nan 8.270 nan 0.000 0.436 245 R N -0.498 119.933 120.500 -0.115 0.000 2.081 245 R HA -0.121 4.230 4.340 0.019 0.000 0.235 245 R C 2.143 178.443 176.300 0.001 0.000 1.131 245 R CA 1.328 57.380 56.100 -0.081 0.000 0.960 245 R CB -0.368 29.861 30.300 -0.118 0.000 0.856 245 R HN 0.382 nan 8.270 nan 0.000 0.436 246 H N 0.353 119.420 119.070 -0.005 0.000 2.353 246 H HA -0.010 4.568 4.556 0.036 0.000 0.300 246 H C 2.065 177.382 175.328 -0.019 0.000 1.090 246 H CA 1.451 57.488 56.048 -0.020 0.000 1.327 246 H CB -0.505 29.255 29.762 -0.004 0.000 1.383 246 H HN 0.286 nan 8.280 nan 0.000 0.508 247 A N 1.178 124.073 122.820 0.125 0.000 1.930 247 A HA -0.160 4.171 4.320 0.019 0.000 0.217 247 A C 2.310 179.926 177.584 0.053 0.000 1.175 247 A CA 1.490 53.579 52.037 0.087 0.000 0.627 247 A CB -0.319 18.728 19.000 0.080 0.000 0.815 247 A HN 0.468 nan 8.150 nan 0.000 0.443 248 E N -0.706 119.517 120.200 0.038 0.000 2.077 248 E HA -0.201 4.160 4.350 0.019 0.000 0.193 248 E C 1.950 178.557 176.600 0.013 0.000 0.989 248 E CA 1.272 57.686 56.400 0.024 0.000 0.800 248 E CB -0.276 29.433 29.700 0.014 0.000 0.746 248 E HN 0.526 nan 8.360 nan 0.000 0.452 249 L N 0.766 121.994 121.223 0.009 0.000 2.017 249 L HA -0.158 4.194 4.340 0.019 0.000 0.208 249 L C 2.234 179.069 176.870 -0.059 0.000 1.073 249 L CA 1.366 56.192 54.840 -0.023 0.000 0.745 249 L CB -0.353 41.689 42.059 -0.028 0.000 0.894 249 L HN -0.065 nan 8.230 nan 0.000 0.432 250 V N 0.029 119.903 119.914 -0.067 0.000 2.332 250 V HA -0.338 3.794 4.120 0.019 0.000 0.248 250 V C 2.621 178.711 176.094 -0.007 0.000 1.055 250 V CA 2.151 64.399 62.300 -0.086 0.000 1.038 250 V CB -0.738 31.077 31.823 -0.015 0.000 0.651 250 V HN 0.644 nan 8.190 nan 0.000 0.450 251 E N 0.072 120.284 120.200 0.020 0.000 2.051 251 E HA -0.234 4.128 4.350 0.019 0.000 0.192 251 E C 2.475 179.087 176.600 0.019 0.000 0.991 251 E CA 1.205 57.624 56.400 0.033 0.000 0.799 251 E CB -0.087 29.637 29.700 0.040 0.000 0.748 251 E HN 0.491 nan 8.360 nan 0.000 0.449 252 R N 0.147 120.651 120.500 0.006 0.000 2.120 252 R HA -0.088 4.264 4.340 0.019 0.000 0.234 252 R C 1.640 177.938 176.300 -0.003 0.000 1.123 252 R CA 1.090 57.191 56.100 0.002 0.000 0.975 252 R CB -0.018 30.279 30.300 -0.005 0.000 0.866 252 R HN 0.186 nan 8.270 nan 0.000 0.446 253 E N -0.498 119.692 120.200 -0.016 0.000 2.476 253 E HA 0.041 4.403 4.350 0.019 0.000 0.191 253 E C 0.837 177.446 176.600 0.015 0.000 1.064 253 E CA 0.517 56.907 56.400 -0.017 0.000 0.866 253 E CB 0.710 30.372 29.700 -0.063 0.000 0.952 253 E HN 0.543 nan 8.360 nan 0.000 0.492 254 G N 0.991 109.807 108.800 0.027 0.000 2.141 254 G HA2 -0.240 3.732 3.960 0.019 0.000 0.242 254 G HA3 -0.240 3.732 3.960 0.019 0.000 0.242 254 G C 0.658 175.598 174.900 0.067 0.000 0.982 254 G CA 0.011 45.137 45.100 0.043 0.000 0.662 254 G HN 0.501 nan 8.290 nan 0.000 0.527 255 G N -0.514 108.338 108.800 0.087 0.000 2.651 255 G HA2 0.591 4.563 3.960 0.019 0.000 0.260 255 G HA3 0.591 4.563 3.960 0.019 0.000 0.260 255 G C 1.030 175.985 174.900 0.092 0.000 1.216 255 G CA 0.844 46.028 45.100 0.140 0.000 0.913 255 G HN 1.445 nan 8.290 nan 0.000 0.535 256 S N -2.974 112.775 115.700 0.082 0.000 2.728 256 S HA 0.269 4.750 4.470 0.019 0.000 0.257 256 S C 0.178 174.792 174.600 0.023 0.000 1.060 256 S CA 0.012 58.229 58.200 0.029 0.000 1.126 256 S CB -0.198 63.002 63.200 -0.001 0.000 1.099 256 S HN 0.926 nan 8.310 nan 0.000 0.617 257 C N 1.862 121.204 119.300 0.071 0.000 2.985 257 C HA 0.808 5.279 4.460 0.019 0.000 0.332 257 C C -1.178 173.890 174.990 0.130 0.000 1.164 257 C CA -0.255 58.806 59.018 0.073 0.000 1.347 257 C CB 0.956 28.726 27.740 0.050 0.000 1.764 257 C HN 0.709 nan 8.230 nan 0.000 0.489 258 V N 4.387 124.382 119.914 0.136 0.000 2.823 258 V HA 0.731 4.862 4.120 0.019 0.000 0.312 258 V C -0.506 175.694 176.094 0.177 0.000 1.072 258 V CA -0.709 61.692 62.300 0.168 0.000 0.937 258 V CB 1.684 33.602 31.823 0.160 0.000 1.013 258 V HN 1.121 nan 8.190 nan 0.000 0.430 259 M N 3.810 123.524 119.600 0.190 0.000 2.508 259 M HA 0.913 5.405 4.480 0.019 0.000 0.327 259 M C -0.595 175.809 176.300 0.174 0.000 1.160 259 M CA -0.469 54.977 55.300 0.242 0.000 0.980 259 M CB 1.864 34.624 32.600 0.268 0.000 1.693 259 M HN 1.209 nan 8.290 nan 0.000 0.452 260 A N 2.366 125.272 122.820 0.144 0.000 2.486 260 A HA 0.629 4.961 4.320 0.019 0.000 0.300 260 A C -0.949 176.659 177.584 0.040 0.000 1.048 260 A CA -0.687 51.402 52.037 0.087 0.000 0.696 260 A CB 1.634 20.670 19.000 0.061 0.000 1.278 260 A HN 0.752 nan 8.150 nan 0.000 0.405 261 S N 2.407 118.139 115.700 0.054 0.000 2.700 261 S HA 0.167 4.648 4.470 0.019 0.000 0.321 261 S C 1.700 176.207 174.600 -0.155 0.000 1.161 261 S CA -0.028 58.186 58.200 0.023 0.000 1.078 261 S CB -0.851 62.473 63.200 0.207 0.000 1.302 261 S HN 0.664 nan 8.310 nan 0.000 0.540 262 I N 0.869 121.200 120.570 -0.398 0.000 2.194 262 I HA -0.238 3.944 4.170 0.019 0.000 0.246 262 I C 1.830 177.580 176.117 -0.613 0.000 1.093 262 I CA 1.327 62.173 61.300 -0.756 0.000 1.355 262 I CB -0.441 36.529 38.000 -1.717 0.000 1.046 262 I HN 0.375 nan 8.210 nan 0.000 0.413 263 N N 0.854 119.148 118.700 -0.678 0.000 2.166 263 N HA -0.168 4.583 4.740 0.019 0.000 0.186 263 N C 1.554 176.787 175.510 -0.462 0.000 1.019 263 N CA 2.012 54.673 53.050 -0.647 0.000 0.856 263 N CB -0.396 37.429 38.487 -1.103 0.000 0.993 263 N HN 0.698 nan 8.380 nan 0.000 0.426 264 W N 0.040 121.344 121.300 0.007 0.000 2.704 264 W HA 0.156 4.823 4.660 0.010 0.000 0.266 264 W C 2.181 178.720 176.519 0.033 0.000 1.266 264 W CA -0.634 56.725 57.345 0.024 0.000 1.377 264 W CB -0.492 28.978 29.460 0.017 0.000 1.082 264 W HN -0.021 nan 8.180 nan 0.000 0.608 265 C N 0.206 119.612 119.300 0.178 0.000 2.466 265 C HA 0.366 4.838 4.460 0.019 0.000 0.278 265 C C 1.485 176.561 174.990 0.142 0.000 1.288 265 C CA 1.414 60.517 59.018 0.143 0.000 1.722 265 C CB -1.347 26.453 27.740 0.101 0.000 2.017 265 C HN 0.507 nan 8.230 nan 0.000 0.488 266 G N -1.180 107.709 108.800 0.148 0.000 2.692 266 G HA2 -0.140 3.832 3.960 0.019 0.000 0.686 266 G HA3 -0.140 3.832 3.960 0.019 0.000 0.686 266 G C -0.126 174.845 174.900 0.119 0.000 1.243 266 G CA -0.379 44.778 45.100 0.095 0.000 0.782 266 G HN 0.124 nan 8.290 nan 0.000 0.625 267 F N 1.280 121.218 119.950 -0.021 0.000 2.126 267 F HA -0.090 4.443 4.527 0.010 0.000 0.299 267 F C 3.036 178.804 175.800 -0.053 0.000 1.096 267 F CA 2.182 60.030 58.000 -0.253 0.000 1.255 267 F CB -0.629 38.105 39.000 -0.444 0.000 0.997 267 F HN 0.467 nan 8.300 nan 0.000 0.479 268 S N -0.010 115.792 115.700 0.171 0.000 2.368 268 S HA -0.196 4.285 4.470 0.019 0.000 0.225 268 S C 2.372 177.034 174.600 0.105 0.000 1.030 268 S CA 1.150 59.419 58.200 0.115 0.000 0.999 268 S CB -0.768 62.487 63.200 0.093 0.000 0.844 268 S HN 0.387 nan 8.310 nan 0.000 0.459 269 A N 1.599 124.488 122.820 0.116 0.000 1.872 269 A HA 0.012 4.344 4.320 0.019 0.000 0.214 269 A C 2.002 179.660 177.584 0.122 0.000 1.187 269 A CA 0.984 53.084 52.037 0.106 0.000 0.614 269 A CB -0.514 18.549 19.000 0.105 0.000 0.826 269 A HN 0.393 nan 8.150 nan 0.000 0.442 270 I N 0.048 120.725 120.570 0.177 0.000 2.315 270 I HA -0.227 3.955 4.170 0.019 0.000 0.248 270 I C 2.598 178.812 176.117 0.160 0.000 1.117 270 I CA 1.756 63.175 61.300 0.199 0.000 1.404 270 I CB -1.443 36.768 38.000 0.350 0.000 1.071 270 I HN 0.568 nan 8.210 nan 0.000 0.419 271 Q N 0.677 120.566 119.800 0.148 0.000 2.084 271 Q HA -0.174 4.178 4.340 0.019 0.000 0.202 271 Q C 2.350 178.393 176.000 0.072 0.000 0.978 271 Q CA 2.134 57.998 55.803 0.103 0.000 0.844 271 Q CB 0.169 28.958 28.738 0.085 0.000 0.898 271 Q HN 0.372 nan 8.270 nan 0.000 0.426 272 S N 0.662 116.403 115.700 0.068 0.000 2.368 272 S HA -0.135 4.346 4.470 0.019 0.000 0.224 272 S C 1.743 176.372 174.600 0.048 0.000 1.029 272 S CA 1.036 59.264 58.200 0.047 0.000 0.988 272 S CB -0.320 62.905 63.200 0.042 0.000 0.838 272 S HN 0.409 nan 8.310 nan 0.000 0.462 273 L N 2.360 123.621 121.223 0.063 0.000 2.046 273 L HA -0.046 4.306 4.340 0.019 0.000 0.208 273 L C 2.227 179.134 176.870 0.062 0.000 1.077 273 L CA 1.791 56.668 54.840 0.062 0.000 0.747 273 L CB -0.610 41.495 42.059 0.076 0.000 0.896 273 L HN 0.122 nan 8.230 nan 0.000 0.432 274 R N -0.117 120.425 120.500 0.070 0.000 2.105 274 R HA -0.143 4.208 4.340 0.019 0.000 0.239 274 R C 2.322 178.648 176.300 0.042 0.000 1.135 274 R CA 1.700 57.837 56.100 0.062 0.000 0.967 274 R CB -0.384 29.957 30.300 0.068 0.000 0.861 274 R HN 0.383 nan 8.270 nan 0.000 0.442 275 R N -0.833 119.688 120.500 0.034 0.000 2.189 275 R HA -0.017 4.334 4.340 0.019 0.000 0.218 275 R C 1.418 177.730 176.300 0.020 0.000 1.074 275 R CA 1.639 57.751 56.100 0.019 0.000 0.991 275 R CB 0.066 30.373 30.300 0.011 0.000 0.883 275 R HN 0.515 nan 8.270 nan 0.000 0.457 276 T N -4.212 110.359 114.554 0.028 0.000 3.023 276 T HA 0.057 4.418 4.350 0.019 0.000 0.253 276 T C 0.749 175.470 174.700 0.035 0.000 1.038 276 T CA -0.112 62.004 62.100 0.026 0.000 0.962 276 T CB 0.679 69.559 68.868 0.021 0.000 1.018 276 T HN -0.112 nan 8.240 nan 0.000 0.521 277 T N 3.360 117.943 114.554 0.047 0.000 2.797 277 T HA 0.496 4.858 4.350 0.019 0.000 0.279 277 T C -2.281 172.464 174.700 0.076 0.000 0.991 277 T CA -1.993 60.144 62.100 0.062 0.000 0.979 277 T CB 1.899 70.812 68.868 0.075 0.000 0.943 277 T HN -0.102 nan 8.240 nan 0.000 0.444 278 P HA 0.224 nan 4.420 nan 0.000 0.257 278 P C 0.144 177.594 177.300 0.250 0.000 1.281 278 P CA -0.051 63.126 63.100 0.129 0.000 0.826 278 P CB 0.179 31.943 31.700 0.106 0.000 1.237 279 L N -0.335 120.998 121.223 0.184 0.000 2.456 279 L HA 0.231 4.583 4.340 0.019 0.000 0.257 279 L C 0.794 177.782 176.870 0.197 0.000 1.162 279 L CA -1.167 53.767 54.840 0.156 0.000 0.808 279 L CB 0.519 42.641 42.059 0.106 0.000 1.136 279 L HN -0.323 nan 8.230 nan 0.000 0.466 280 V N 2.295 122.243 119.914 0.057 0.000 2.585 280 V HA -0.011 4.120 4.120 0.019 0.000 0.296 280 V C 0.309 176.423 176.094 0.033 0.000 1.035 280 V CA 0.079 62.407 62.300 0.046 0.000 1.084 280 V CB 0.864 32.635 31.823 -0.087 0.000 0.953 280 V HN 0.406 nan 8.190 nan 0.000 0.483 281 L N 5.136 126.364 121.223 0.009 0.000 2.272 281 L HA 0.385 4.737 4.340 0.019 0.000 0.284 281 L C -0.188 176.659 176.870 -0.038 0.000 1.045 281 L CA -0.576 54.280 54.840 0.026 0.000 0.842 281 L CB 0.519 42.610 42.059 0.053 0.000 1.224 281 L HN 0.754 nan 8.230 nan 0.000 0.430 282 H N 3.945 122.982 119.070 -0.055 0.000 2.761 282 H HA 0.452 5.018 4.556 0.018 0.000 0.284 282 H C -0.084 175.313 175.328 0.115 0.000 1.105 282 H CA -0.399 55.671 56.048 0.036 0.000 1.352 282 H CB 1.058 30.961 29.762 0.236 0.000 1.423 282 H HN 0.629 nan 8.280 nan 0.000 0.464 283 A N 5.841 128.558 122.820 -0.171 0.000 2.309 283 A HA 0.169 4.500 4.320 0.019 0.000 0.290 283 A C -0.578 176.917 177.584 -0.148 0.000 1.206 283 A CA -0.475 51.461 52.037 -0.169 0.000 0.850 283 A CB -0.060 18.794 19.000 -0.244 0.000 1.118 283 A HN 0.890 nan 8.150 nan 0.000 0.523 284 H N 3.301 122.278 119.070 -0.156 0.000 2.488 284 H HA 0.271 4.837 4.556 0.018 0.000 0.322 284 H C 0.873 176.054 175.328 -0.245 0.000 1.078 284 H CA -0.365 55.571 56.048 -0.186 0.000 1.260 284 H CB 0.931 30.642 29.762 -0.085 0.000 1.425 284 H HN 0.829 nan 8.280 nan 0.000 0.471 285 R N 2.918 123.157 120.500 -0.434 0.000 2.426 285 R HA 0.015 4.366 4.340 0.019 0.000 0.263 285 R C -0.455 175.765 176.300 -0.132 0.000 0.961 285 R CA -0.440 55.505 56.100 -0.257 0.000 1.086 285 R CB -0.650 29.545 30.300 -0.175 0.000 1.186 285 R HN 0.504 nan 8.270 nan 0.000 0.537 286 N N 0.467 119.211 118.700 0.072 0.000 2.292 286 N HA 0.069 4.821 4.740 0.019 0.000 0.258 286 N C 0.848 176.407 175.510 0.082 0.000 1.261 286 N CA 1.070 54.230 53.050 0.184 0.000 0.845 286 N CB 0.716 39.433 38.487 0.382 0.000 1.064 286 N HN 0.294 nan 8.380 nan 0.000 0.471 287 G N 1.107 109.976 108.800 0.115 0.000 2.238 287 G HA2 -0.358 3.614 3.960 0.019 0.000 0.217 287 G HA3 -0.358 3.614 3.960 0.019 0.000 0.217 287 G C 0.463 175.323 174.900 -0.067 0.000 0.996 287 G CA 0.288 45.452 45.100 0.106 0.000 0.632 287 G HN 0.692 nan 8.290 nan 0.000 0.503 288 Y N 2.295 122.445 120.300 -0.249 0.000 2.333 288 Y HA 0.151 4.712 4.550 0.019 0.000 0.290 288 Y C 2.426 178.159 175.900 -0.278 0.000 1.144 288 Y CA 2.300 60.172 58.100 -0.380 0.000 1.228 288 Y CB -0.495 37.621 38.460 -0.573 0.000 0.985 288 Y HN 0.253 nan 8.280 nan 0.000 0.542 289 G N 0.522 109.126 108.800 -0.326 0.000 2.422 289 G HA2 -0.346 3.625 3.960 0.019 0.000 0.218 289 G HA3 -0.346 3.625 3.960 0.019 0.000 0.218 289 G C 1.773 176.508 174.900 -0.276 0.000 1.146 289 G CA 0.964 45.871 45.100 -0.322 0.000 0.769 289 G HN 0.545 nan 8.290 nan 0.000 0.547 290 M N -0.164 119.334 119.600 -0.171 0.000 2.202 290 M HA 0.069 4.561 4.480 0.019 0.000 0.262 290 M C 2.125 178.309 176.300 -0.193 0.000 1.063 290 M CA 1.437 56.667 55.300 -0.116 0.000 1.097 290 M CB -0.141 32.458 32.600 -0.002 0.000 1.382 290 M HN 0.222 nan 8.290 nan 0.000 0.413 291 M N -0.763 118.651 119.600 -0.309 0.000 2.561 291 M HA 0.062 4.554 4.480 0.019 0.000 0.238 291 M C 1.069 177.119 176.300 -0.416 0.000 1.131 291 M CA 0.689 55.797 55.300 -0.321 0.000 1.046 291 M CB 0.243 32.700 32.600 -0.239 0.000 1.532 291 M HN 0.526 nan 8.290 nan 0.000 0.497 292 S N -2.031 113.368 115.700 -0.502 0.000 2.483 292 S HA 0.220 4.702 4.470 0.019 0.000 0.280 292 S C 1.507 175.942 174.600 -0.274 0.000 1.059 292 S CA -0.671 57.254 58.200 -0.458 0.000 1.359 292 S CB 0.084 62.751 63.200 -0.888 0.000 1.171 292 S HN 0.240 nan 8.310 nan 0.000 0.625 293 R N 1.935 122.293 120.500 -0.236 0.000 2.120 293 R HA 0.083 4.434 4.340 0.019 0.000 0.234 293 R C -0.000 176.251 176.300 -0.082 0.000 1.123 293 R CA 1.143 57.162 56.100 -0.135 0.000 0.975 293 R CB -0.636 29.603 30.300 -0.102 0.000 0.866 293 R HN 0.506 nan 8.270 nan 0.000 0.446 294 D N 1.281 121.633 120.400 -0.079 0.000 2.339 294 D HA 0.069 4.720 4.640 0.019 0.000 0.241 294 D C -1.582 174.703 176.300 -0.025 0.000 1.183 294 D CA -2.384 51.591 54.000 -0.043 0.000 0.859 294 D CB 1.538 42.315 40.800 -0.038 0.000 1.067 294 D HN -0.065 nan 8.370 nan 0.000 0.484 295 P HA -0.080 nan 4.420 nan 0.000 0.225 295 P C 0.664 177.986 177.300 0.037 0.000 1.148 295 P CA 0.530 63.638 63.100 0.015 0.000 0.779 295 P CB 0.251 31.963 31.700 0.020 0.000 0.780 296 A N -1.509 121.332 122.820 0.035 0.000 2.275 296 A HA 0.266 4.597 4.320 0.019 0.000 0.212 296 A C 0.720 178.356 177.584 0.086 0.000 1.201 296 A CA 0.197 52.270 52.037 0.059 0.000 0.843 296 A CB -0.472 18.555 19.000 0.044 0.000 0.873 296 A HN 0.230 nan 8.150 nan 0.000 0.492 297 L N -2.683 118.580 121.223 0.066 0.000 2.424 297 L HA 0.736 5.088 4.340 0.019 0.000 0.258 297 L C 0.490 177.383 176.870 0.039 0.000 0.995 297 L CA 0.930 55.816 54.840 0.078 0.000 0.821 297 L CB 1.601 43.664 42.059 0.008 0.000 1.383 297 L HN 0.845 nan 8.230 nan 0.000 0.410 298 G N 3.038 111.860 108.800 0.038 0.000 2.603 298 G HA2 -0.185 3.786 3.960 0.019 0.000 0.245 298 G HA3 -0.185 3.786 3.960 0.019 0.000 0.245 298 G C -0.563 174.425 174.900 0.146 0.000 1.195 298 G CA 0.097 45.128 45.100 -0.115 0.000 0.953 298 G HN 0.882 nan 8.290 nan 0.000 0.566 299 M N 0.831 120.483 119.600 0.087 0.000 2.224 299 M HA 0.567 5.058 4.480 0.019 0.000 0.281 299 M C -0.103 176.316 176.300 0.199 0.000 1.025 299 M CA -0.437 54.978 55.300 0.191 0.000 0.954 299 M CB 1.929 34.693 32.600 0.275 0.000 1.639 299 M HN 0.699 nan 8.290 nan 0.000 0.461 300 S N 2.582 118.391 115.700 0.181 0.000 2.600 300 S HA 0.179 4.660 4.470 0.019 0.000 0.265 300 S C 0.571 175.348 174.600 0.295 0.000 1.325 300 S CA -0.479 57.851 58.200 0.218 0.000 1.002 300 S CB 0.598 63.884 63.200 0.143 0.000 0.921 300 S HN 0.711 nan 8.310 nan 0.000 0.554 301 F N 1.638 121.688 119.950 0.167 0.000 2.171 301 F HA -0.134 4.406 4.527 0.021 0.000 0.300 301 F C 2.606 178.454 175.800 0.079 0.000 1.090 301 F CA 1.624 59.675 58.000 0.085 0.000 1.293 301 F CB -0.188 38.809 39.000 -0.006 0.000 1.013 301 F HN 0.564 nan 8.300 nan 0.000 0.486 302 Q N 0.864 120.749 119.800 0.142 0.000 2.077 302 Q HA -0.237 4.115 4.340 0.019 0.000 0.206 302 Q C 2.318 178.271 176.000 -0.077 0.000 0.989 302 Q CA 2.051 57.869 55.803 0.026 0.000 0.853 302 Q CB -0.686 28.085 28.738 0.055 0.000 0.907 302 Q HN 0.509 nan 8.270 nan 0.000 0.418 303 A N -0.362 122.440 122.820 -0.030 0.000 1.873 303 A HA -0.194 4.137 4.320 0.019 0.000 0.215 303 A C 2.020 179.568 177.584 -0.060 0.000 1.186 303 A CA 1.368 53.374 52.037 -0.052 0.000 0.616 303 A CB -1.130 17.859 19.000 -0.018 0.000 0.823 303 A HN 0.539 nan 8.150 nan 0.000 0.442 304 Y N 1.570 121.776 120.300 -0.156 0.000 2.081 304 Y HA -0.357 4.206 4.550 0.022 0.000 0.280 304 Y C 2.682 178.437 175.900 -0.242 0.000 1.163 304 Y CA 2.720 60.730 58.100 -0.150 0.000 1.135 304 Y CB -0.532 37.781 38.460 -0.246 0.000 0.970 304 Y HN 0.573 nan 8.280 nan 0.000 0.498 305 Q N -1.408 118.057 119.800 -0.559 0.000 2.230 305 Q HA -0.079 4.272 4.340 0.019 0.000 0.202 305 Q C 1.818 177.628 176.000 -0.317 0.000 0.963 305 Q CA 1.990 57.433 55.803 -0.599 0.000 0.866 305 Q CB -1.034 27.148 28.738 -0.927 0.000 0.931 305 Q HN 0.304 nan 8.270 nan 0.000 0.452 306 T N 1.479 115.870 114.554 -0.272 0.000 2.674 306 T HA -0.077 4.285 4.350 0.019 0.000 0.265 306 T C 1.705 176.215 174.700 -0.316 0.000 1.039 306 T CA 1.547 63.504 62.100 -0.237 0.000 1.150 306 T CB -0.345 68.402 68.868 -0.201 0.000 0.864 306 T HN 0.218 nan 8.240 nan 0.000 0.427 307 L N -1.070 119.928 121.223 -0.376 0.000 2.012 307 L HA -0.117 4.235 4.340 0.019 0.000 0.210 307 L C 2.518 179.061 176.870 -0.545 0.000 1.073 307 L CA 1.569 56.053 54.840 -0.593 0.000 0.748 307 L CB -0.586 41.077 42.059 -0.661 0.000 0.891 307 L HN 0.368 nan 8.230 nan 0.000 0.431 308 W N 0.227 121.393 121.300 -0.224 0.000 2.363 308 W HA -0.124 4.539 4.660 0.005 0.000 0.296 308 W C 2.784 179.205 176.519 -0.163 0.000 1.212 308 W CA 0.662 57.916 57.345 -0.151 0.000 1.260 308 W CB -0.117 29.099 29.460 -0.407 0.000 1.131 308 W HN -0.017 nan 8.180 nan 0.000 0.530 309 R N 0.104 120.586 120.500 -0.029 0.000 2.148 309 R HA -0.104 4.247 4.340 0.019 0.000 0.227 309 R C 1.913 178.161 176.300 -0.086 0.000 1.103 309 R CA 0.985 57.059 56.100 -0.043 0.000 0.983 309 R CB -0.629 29.625 30.300 -0.077 0.000 0.874 309 R HN 0.280 nan 8.270 nan 0.000 0.451 310 L N 0.554 121.646 121.223 -0.218 0.000 2.362 310 L HA -0.115 4.237 4.340 0.019 0.000 0.219 310 L C 2.190 179.005 176.870 -0.091 0.000 1.134 310 L CA 1.113 55.785 54.840 -0.280 0.000 0.807 310 L CB -0.382 41.231 42.059 -0.742 0.000 0.927 310 L HN 0.252 nan 8.230 nan 0.000 0.447 311 S N -0.920 114.766 115.700 -0.024 0.000 2.562 311 S HA 0.141 4.623 4.470 0.019 0.000 0.221 311 S C 1.520 176.181 174.600 0.102 0.000 0.975 311 S CA 0.406 58.660 58.200 0.089 0.000 0.918 311 S CB 0.425 63.757 63.200 0.220 0.000 0.772 311 S HN 0.516 nan 8.310 nan 0.000 0.531 312 G N 0.973 109.816 108.800 0.073 0.000 2.141 312 G HA2 -0.235 3.737 3.960 0.019 0.000 0.231 312 G HA3 -0.235 3.737 3.960 0.019 0.000 0.231 312 G C 0.150 175.090 174.900 0.067 0.000 0.984 312 G CA -0.081 45.053 45.100 0.058 0.000 0.660 312 G HN 1.548 nan 8.290 nan 0.000 0.525 313 V N -2.158 117.809 119.914 0.088 0.000 3.032 313 V HA 0.446 4.578 4.120 0.019 0.000 0.307 313 V C 1.001 177.124 176.094 0.048 0.000 1.097 313 V CA 0.908 63.246 62.300 0.063 0.000 1.191 313 V CB 1.089 32.943 31.823 0.052 0.000 0.964 313 V HN 0.121 nan 8.190 nan 0.000 0.494 314 D N 0.191 120.605 120.400 0.023 0.000 2.379 314 D HA 0.159 4.811 4.640 0.019 0.000 0.218 314 D C 0.418 176.846 176.300 0.214 0.000 1.006 314 D CA 0.895 54.936 54.000 0.070 0.000 0.893 314 D CB 0.258 41.058 40.800 0.000 0.000 1.019 314 D HN 0.871 nan 8.370 nan 0.000 0.503 315 H N -0.582 118.491 119.070 0.004 0.000 2.690 315 H HA 0.449 5.019 4.556 0.023 0.000 0.368 315 H C -0.185 175.052 175.328 -0.152 0.000 1.150 315 H CA -0.918 55.083 56.048 -0.078 0.000 1.174 315 H CB 2.169 31.875 29.762 -0.092 0.000 1.684 315 H HN -0.227 nan 8.280 nan 0.000 0.538 316 M N 1.801 121.385 119.600 -0.027 0.000 2.457 316 M HA 0.229 4.721 4.480 0.019 0.000 0.300 316 M C -0.555 175.664 176.300 -0.136 0.000 1.141 316 M CA -0.559 54.715 55.300 -0.045 0.000 0.901 316 M CB 2.226 34.870 32.600 0.075 0.000 1.687 316 M HN 0.643 nan 8.290 nan 0.000 0.449 317 H N 1.618 120.583 119.070 -0.173 0.000 2.582 317 H HA 0.371 4.938 4.556 0.018 0.000 0.345 317 H C 0.653 175.801 175.328 -0.300 0.000 1.104 317 H CA 0.152 56.076 56.048 -0.207 0.000 1.390 317 H CB 1.885 31.520 29.762 -0.211 0.000 1.461 317 H HN 0.550 nan 8.280 nan 0.000 0.551 318 V N -0.068 119.652 119.914 -0.323 0.000 3.346 318 V HA 0.173 4.305 4.120 0.019 0.000 0.309 318 V C 0.506 176.450 176.094 -0.250 0.000 1.457 318 V CA -0.191 61.790 62.300 -0.533 0.000 1.069 318 V CB -0.700 30.676 31.823 -0.745 0.000 0.944 318 V HN 1.032 nan 8.190 nan 0.000 0.449 319 H N 0.807 119.810 119.070 -0.112 0.000 1.452 319 H HA -0.091 4.476 4.556 0.019 0.000 0.090 319 H C 0.662 176.060 175.328 0.117 0.000 2.770 319 H CA 0.509 56.611 56.048 0.090 0.000 1.901 319 H CB -1.326 28.512 29.762 0.127 0.000 2.257 319 H HN 0.876 nan 8.280 nan 0.000 0.961 320 G N -0.355 108.644 108.800 0.331 0.000 2.718 320 G HA2 0.515 4.486 3.960 0.019 0.000 0.295 320 G HA3 0.515 4.486 3.960 0.019 0.000 0.295 320 G C -1.211 173.841 174.900 0.254 0.000 1.421 320 G CA -0.743 44.550 45.100 0.323 0.000 0.902 320 G HN 0.453 nan 8.290 nan 0.000 0.501 321 L N 1.303 122.680 121.223 0.256 0.000 2.453 321 L HA 0.368 4.719 4.340 0.019 0.000 0.272 321 L C 1.538 178.484 176.870 0.127 0.000 1.182 321 L CA 0.673 55.612 54.840 0.165 0.000 0.858 321 L CB 1.159 43.294 42.059 0.127 0.000 1.120 321 L HN 1.340 nan 8.230 nan 0.000 0.474 322 A N 2.474 125.358 122.820 0.106 0.000 2.832 322 A HA -0.147 4.185 4.320 0.019 0.000 0.280 322 A C 0.840 178.479 177.584 0.092 0.000 1.464 322 A CA 0.631 52.727 52.037 0.097 0.000 0.804 322 A CB -2.299 16.766 19.000 0.109 0.000 1.020 322 A HN 0.972 nan 8.150 nan 0.000 0.563 323 G N -1.321 107.533 108.800 0.091 0.000 2.621 323 G HA2 0.454 4.426 3.960 0.019 0.000 0.271 323 G HA3 0.454 4.426 3.960 0.019 0.000 0.271 323 G C 0.647 175.538 174.900 -0.015 0.000 1.236 323 G CA -0.038 45.087 45.100 0.043 0.000 0.958 323 G HN 0.481 nan 8.290 nan 0.000 0.512 324 K N -0.941 119.366 120.400 -0.154 0.000 2.367 324 K HA 0.180 4.511 4.320 0.019 0.000 0.194 324 K C -0.095 176.409 176.600 -0.159 0.000 1.027 324 K CA -0.139 56.037 56.287 -0.185 0.000 1.075 324 K CB 0.190 32.526 32.500 -0.273 0.000 0.845 324 K HN 0.278 nan 8.250 nan 0.000 0.529 325 F N 0.597 120.538 119.950 -0.014 0.000 2.352 325 F HA 0.174 4.714 4.527 0.020 0.000 0.304 325 F C 1.730 177.552 175.800 0.036 0.000 1.215 325 F CA -0.629 57.370 58.000 -0.002 0.000 1.121 325 F CB 0.224 39.209 39.000 -0.025 0.000 1.329 325 F HN -0.129 nan 8.300 nan 0.000 0.528 326 A N -0.606 122.386 122.820 0.288 0.000 2.067 326 A HA -0.007 4.324 4.320 0.019 0.000 0.217 326 A C 0.808 178.471 177.584 0.131 0.000 1.156 326 A CA 0.317 52.446 52.037 0.154 0.000 0.683 326 A CB -0.742 18.318 19.000 0.100 0.000 0.808 326 A HN 0.675 nan 8.150 nan 0.000 0.455 327 Q N 1.165 121.069 119.800 0.174 0.000 2.361 327 Q HA 0.328 4.679 4.340 0.019 0.000 0.276 327 Q C 0.617 176.682 176.000 0.109 0.000 1.022 327 Q CA 0.516 56.393 55.803 0.123 0.000 0.898 327 Q CB 0.650 29.471 28.738 0.139 0.000 1.246 327 Q HN 0.531 nan 8.270 nan 0.000 0.410 328 S N 0.977 116.721 115.700 0.073 0.000 2.603 328 S HA 0.119 4.601 4.470 0.019 0.000 0.268 328 S C 0.143 174.785 174.600 0.071 0.000 1.317 328 S CA -0.719 57.520 58.200 0.066 0.000 1.012 328 S CB 0.877 64.106 63.200 0.049 0.000 0.926 328 S HN 0.525 nan 8.310 nan 0.000 0.539 329 D N 1.703 122.146 120.400 0.071 0.000 2.149 329 D HA -0.056 4.596 4.640 0.019 0.000 0.198 329 D C 2.220 178.558 176.300 0.063 0.000 0.990 329 D CA 1.807 55.853 54.000 0.077 0.000 0.839 329 D CB -0.858 39.983 40.800 0.068 0.000 0.948 329 D HN 0.724 nan 8.370 nan 0.000 0.460 330 A N 0.822 123.671 122.820 0.049 0.000 1.883 330 A HA -0.257 4.075 4.320 0.019 0.000 0.217 330 A C 2.138 179.741 177.584 0.032 0.000 1.186 330 A CA 2.024 54.086 52.037 0.040 0.000 0.624 330 A CB -0.677 18.345 19.000 0.036 0.000 0.822 330 A HN 0.324 nan 8.150 nan 0.000 0.444 331 E N -0.279 119.937 120.200 0.027 0.000 2.077 331 E HA -0.136 4.225 4.350 0.019 0.000 0.193 331 E C 1.854 178.424 176.600 -0.050 0.000 0.989 331 E CA 1.478 57.880 56.400 0.003 0.000 0.800 331 E CB -0.155 29.550 29.700 0.008 0.000 0.746 331 E HN 0.318 nan 8.360 nan 0.000 0.452 332 V N 1.265 121.168 119.914 -0.018 0.000 2.295 332 V HA -0.277 3.855 4.120 0.019 0.000 0.246 332 V C 2.395 178.482 176.094 -0.011 0.000 1.049 332 V CA 1.779 64.056 62.300 -0.039 0.000 1.024 332 V CB -0.433 31.444 31.823 0.090 0.000 0.648 332 V HN 0.345 nan 8.190 nan 0.000 0.447 333 I N 0.006 120.612 120.570 0.059 0.000 2.163 333 I HA -0.286 3.896 4.170 0.019 0.000 0.243 333 I C 2.635 178.775 176.117 0.037 0.000 1.085 333 I CA 2.149 63.499 61.300 0.083 0.000 1.347 333 I CB -0.396 37.647 38.000 0.072 0.000 1.044 333 I HN 0.410 nan 8.210 nan 0.000 0.408 334 E N 0.733 120.943 120.200 0.016 0.000 2.110 334 E HA -0.195 4.167 4.350 0.019 0.000 0.193 334 E C 2.219 178.826 176.600 0.011 0.000 0.988 334 E CA 1.544 57.960 56.400 0.026 0.000 0.804 334 E CB 0.124 29.848 29.700 0.040 0.000 0.745 334 E HN 0.377 nan 8.360 nan 0.000 0.458 335 S N 0.359 115.992 115.700 -0.113 0.000 2.368 335 S HA -0.105 4.376 4.470 0.019 0.000 0.224 335 S C 2.025 176.500 174.600 -0.208 0.000 1.029 335 S CA 0.858 58.864 58.200 -0.323 0.000 0.988 335 S CB -0.181 62.387 63.200 -1.053 0.000 0.838 335 S HN 0.479 nan 8.310 nan 0.000 0.462 336 A N 2.091 124.795 122.820 -0.194 0.000 1.902 336 A HA -0.130 4.202 4.320 0.019 0.000 0.217 336 A C 2.144 179.744 177.584 0.027 0.000 1.181 336 A CA 1.366 53.342 52.037 -0.101 0.000 0.623 336 A CB -0.478 18.562 19.000 0.066 0.000 0.818 336 A HN 0.418 nan 8.150 nan 0.000 0.443 337 R N -0.431 120.098 120.500 0.048 0.000 2.115 337 R HA -0.102 4.250 4.340 0.019 0.000 0.230 337 R C 1.562 177.902 176.300 0.067 0.000 1.111 337 R CA 1.255 57.389 56.100 0.058 0.000 0.976 337 R CB -0.373 29.957 30.300 0.049 0.000 0.870 337 R HN 0.485 nan 8.270 nan 0.000 0.445 338 D N 0.470 120.930 120.400 0.100 0.000 2.104 338 D HA -0.168 4.484 4.640 0.019 0.000 0.194 338 D C 1.908 178.273 176.300 0.107 0.000 0.994 338 D CA 1.125 55.202 54.000 0.129 0.000 0.830 338 D CB -0.395 40.556 40.800 0.252 0.000 0.959 338 D HN 0.235 nan 8.370 nan 0.000 0.452 339 C N 0.995 120.372 119.300 0.128 0.000 2.413 339 C HA -0.072 4.400 4.460 0.019 0.000 0.277 339 C C 2.736 177.757 174.990 0.051 0.000 1.265 339 C CA 0.897 59.967 59.018 0.087 0.000 1.752 339 C CB -1.010 26.766 27.740 0.060 0.000 1.998 339 C HN 0.362 nan 8.230 nan 0.000 0.489 340 A N -0.919 121.930 122.820 0.049 0.000 2.169 340 A HA 0.089 4.420 4.320 0.019 0.000 0.212 340 A C 1.041 178.643 177.584 0.030 0.000 1.153 340 A CA 0.713 52.773 52.037 0.038 0.000 0.756 340 A CB -0.323 18.701 19.000 0.040 0.000 0.813 340 A HN 0.530 nan 8.150 nan 0.000 0.471 341 T N 3.108 117.681 114.554 0.031 0.000 2.749 341 T HA 0.424 4.786 4.350 0.019 0.000 0.295 341 T C -2.667 172.040 174.700 0.013 0.000 0.936 341 T CA -0.947 61.166 62.100 0.022 0.000 1.060 341 T CB 1.076 69.959 68.868 0.025 0.000 0.904 341 T HN 0.083 nan 8.240 nan 0.000 0.500 342 P HA 0.136 nan 4.420 nan 0.000 0.267 342 P C 0.927 178.224 177.300 -0.004 0.000 1.200 342 P CA -0.223 62.879 63.100 0.003 0.000 0.772 342 P CB 0.564 32.267 31.700 0.006 0.000 0.855 343 L N 0.688 121.902 121.223 -0.015 0.000 2.131 343 L HA -0.024 4.327 4.340 0.019 0.000 0.210 343 L C 1.103 177.965 176.870 -0.013 0.000 1.092 343 L CA 1.392 56.216 54.840 -0.027 0.000 0.759 343 L CB -0.423 41.605 42.059 -0.053 0.000 0.903 343 L HN 0.448 nan 8.230 nan 0.000 0.435 344 A N -1.184 121.635 122.820 -0.002 0.000 2.609 344 A HA 0.725 5.057 4.320 0.019 0.000 0.291 344 A C -0.698 176.892 177.584 0.009 0.000 1.096 344 A CA -0.245 51.796 52.037 0.008 0.000 0.684 344 A CB 0.761 19.773 19.000 0.020 0.000 1.282 344 A HN -0.002 nan 8.150 nan 0.000 0.412 345 A N -0.114 122.713 122.820 0.011 0.000 2.566 345 A HA 0.464 4.795 4.320 0.019 0.000 0.245 345 A C 1.627 179.218 177.584 0.011 0.000 1.056 345 A CA 1.316 53.360 52.037 0.010 0.000 0.757 345 A CB -1.014 17.992 19.000 0.010 0.000 0.979 345 A HN 2.844 nan 8.150 nan 0.000 0.508 346 G N 0.622 109.428 108.800 0.009 0.000 2.162 346 G HA2 -0.363 3.609 3.960 0.019 0.000 0.260 346 G HA3 -0.363 3.609 3.960 0.019 0.000 0.260 346 G C 1.085 175.990 174.900 0.009 0.000 0.976 346 G CA 0.995 46.100 45.100 0.009 0.000 0.655 346 G HN 2.199 nan 8.290 nan 0.000 0.533 347 C N -1.263 118.042 119.300 0.008 0.000 2.594 347 C HA 0.472 4.944 4.460 0.019 0.000 0.265 347 C C 1.300 176.294 174.990 0.006 0.000 1.351 347 C CA 0.175 59.198 59.018 0.007 0.000 1.744 347 C CB -0.332 27.412 27.740 0.006 0.000 1.890 347 C HN 1.083 nan 8.230 nan 0.000 0.551 348 D N 2.698 123.103 120.400 0.007 0.000 2.704 348 D HA -0.168 4.484 4.640 0.019 0.000 0.232 348 D C -0.194 176.112 176.300 0.011 0.000 1.183 348 D CA 1.435 55.441 54.000 0.010 0.000 0.647 348 D CB -1.293 39.513 40.800 0.010 0.000 1.013 348 D HN 0.872 nan 8.370 nan 0.000 0.415 349 D N -1.156 119.249 120.400 0.009 0.000 2.696 349 D HA 0.378 5.030 4.640 0.019 0.000 0.269 349 D C 0.512 176.821 176.300 0.014 0.000 1.319 349 D CA 0.054 54.059 54.000 0.009 0.000 0.826 349 D CB -0.214 40.586 40.800 -0.001 0.000 1.086 349 D HN 0.410 nan 8.370 nan 0.000 0.481 350 A N 0.383 123.215 122.820 0.020 0.000 2.507 350 A HA 0.484 4.815 4.320 0.019 0.000 0.235 350 A C 0.624 178.232 177.584 0.040 0.000 1.070 350 A CA -0.038 52.015 52.037 0.027 0.000 0.768 350 A CB 0.409 19.426 19.000 0.028 0.000 1.011 350 A HN 0.551 nan 8.150 nan 0.000 0.502 351 V N 0.103 120.043 119.914 0.043 0.000 3.019 351 V HA 0.742 4.874 4.120 0.019 0.000 0.317 351 V C -0.187 175.936 176.094 0.048 0.000 1.094 351 V CA -1.155 61.184 62.300 0.064 0.000 1.000 351 V CB 1.468 33.328 31.823 0.061 0.000 1.060 351 V HN 0.905 nan 8.190 nan 0.000 0.443 352 L N 4.718 125.976 121.223 0.058 0.000 2.281 352 L HA 0.587 4.938 4.340 0.019 0.000 0.285 352 L C -2.283 174.520 176.870 -0.112 0.000 1.074 352 L CA -1.578 53.233 54.840 -0.048 0.000 0.817 352 L CB 0.833 42.790 42.059 -0.170 0.000 1.168 352 L HN 0.640 nan 8.230 nan 0.000 0.434 353 P HA 0.240 nan 4.420 nan 0.000 0.280 353 P C -1.490 175.648 177.300 -0.269 0.000 1.244 353 P CA -0.469 62.503 63.100 -0.213 0.000 0.784 353 P CB 1.313 32.884 31.700 -0.214 0.000 0.913 354 A N 4.361 126.928 122.820 -0.422 0.000 2.256 354 A HA 0.591 4.923 4.320 0.019 0.000 0.317 354 A C -0.688 176.674 177.584 -0.369 0.000 1.318 354 A CA -0.606 51.181 52.037 -0.416 0.000 0.894 354 A CB -0.203 18.358 19.000 -0.731 0.000 1.165 354 A HN 0.388 nan 8.150 nan 0.000 0.525 355 F N 2.321 122.212 119.950 -0.098 0.000 2.394 355 F HA 0.575 5.115 4.527 0.021 0.000 0.340 355 F C 1.095 176.860 175.800 -0.059 0.000 1.105 355 F CA 0.595 58.586 58.000 -0.016 0.000 1.124 355 F CB 1.956 41.002 39.000 0.076 0.000 1.145 355 F HN 0.686 nan 8.300 nan 0.000 0.505 356 S N 0.829 116.641 115.700 0.186 0.000 2.615 356 S HA 0.700 5.182 4.470 0.019 0.000 0.269 356 S C -0.560 174.091 174.600 0.086 0.000 1.161 356 S CA -0.640 57.625 58.200 0.107 0.000 0.817 356 S CB 1.571 64.903 63.200 0.220 0.000 1.131 356 S HN 1.160 nan 8.310 nan 0.000 0.467 357 S N -0.311 115.372 115.700 -0.029 0.000 3.225 357 S HA 0.281 4.762 4.470 0.019 0.000 0.812 357 S C 0.836 175.370 174.600 -0.110 0.000 0.610 357 S CA 0.746 58.838 58.200 -0.180 0.000 1.518 357 S CB -1.472 61.520 63.200 -0.347 0.000 1.023 357 S HN 2.939 nan 8.310 nan 0.000 0.891 358 G N 3.284 112.018 108.800 -0.110 0.000 2.225 358 G HA2 -0.263 3.709 3.960 0.019 0.000 0.267 358 G HA3 -0.263 3.709 3.960 0.019 0.000 0.267 358 G C -0.135 174.815 174.900 0.083 0.000 1.024 358 G CA 0.742 45.819 45.100 -0.039 0.000 0.784 358 G HN 0.945 nan 8.290 nan 0.000 0.507 359 Q N -0.472 119.328 119.800 -0.001 0.000 2.288 359 Q HA 0.601 4.953 4.340 0.019 0.000 0.254 359 Q C 0.678 176.770 176.000 0.154 0.000 0.932 359 Q CA 0.010 55.795 55.803 -0.029 0.000 0.902 359 Q CB 1.534 29.960 28.738 -0.519 0.000 1.203 359 Q HN 0.865 nan 8.270 nan 0.000 0.415 360 W N -0.299 121.009 121.300 0.013 0.000 2.760 360 W HA 0.475 5.146 4.660 0.019 0.000 0.430 360 W C -0.234 176.354 176.519 0.114 0.000 1.072 360 W CA -0.169 57.179 57.345 0.004 0.000 1.181 360 W CB 0.193 29.448 29.460 -0.342 0.000 1.466 360 W HN 0.549 nan 8.180 nan 0.000 0.597 361 A N 1.221 123.977 122.820 -0.105 0.000 1.927 361 A HA -0.052 4.280 4.320 0.019 0.000 0.220 361 A C 2.031 179.028 177.584 -0.979 0.000 1.185 361 A CA 3.165 54.941 52.037 -0.434 0.000 0.639 361 A CB -1.558 17.359 19.000 -0.139 0.000 0.820 361 A HN 1.213 nan 8.150 nan 0.000 0.451 362 G N -1.370 106.124 108.800 -2.178 0.000 2.679 362 G HA2 0.045 4.017 3.960 0.019 0.000 0.212 362 G HA3 0.045 4.017 3.960 0.019 0.000 0.212 362 G C 1.228 175.591 174.900 -0.895 0.000 1.137 362 G CA 1.611 45.688 45.100 -1.706 0.000 0.787 362 G HN 0.778 nan 8.290 nan 0.000 0.534 363 T N -2.956 111.155 114.554 -0.737 0.000 3.044 363 T HA 0.252 4.613 4.350 0.019 0.000 0.260 363 T C 1.927 176.458 174.700 -0.283 0.000 1.019 363 T CA 0.249 62.178 62.100 -0.285 0.000 0.921 363 T CB 0.673 69.523 68.868 -0.030 0.000 1.053 363 T HN -0.072 nan 8.240 nan 0.000 0.533 364 V N 1.526 121.101 119.914 -0.566 0.000 2.307 364 V HA -0.143 3.989 4.120 0.019 0.000 0.245 364 V C 2.935 178.564 176.094 -0.775 0.000 1.045 364 V CA 2.024 63.716 62.300 -1.014 0.000 1.024 364 V CB -0.655 30.260 31.823 -1.513 0.000 0.651 364 V HN 0.449 nan 8.190 nan 0.000 0.449 365 Q N 0.755 120.244 119.800 -0.518 0.000 2.061 365 Q HA -0.187 4.164 4.340 0.019 0.000 0.204 365 Q C 2.130 178.037 176.000 -0.155 0.000 0.984 365 Q CA 2.473 58.104 55.803 -0.286 0.000 0.846 365 Q CB -0.657 27.953 28.738 -0.214 0.000 0.902 365 Q HN 0.586 nan 8.270 nan 0.000 0.421 366 A N -0.918 121.808 122.820 -0.156 0.000 1.933 366 A HA -0.169 4.163 4.320 0.019 0.000 0.218 366 A C 2.285 179.826 177.584 -0.072 0.000 1.175 366 A CA 1.925 53.913 52.037 -0.082 0.000 0.628 366 A CB -0.966 18.000 19.000 -0.055 0.000 0.814 366 A HN 0.506 nan 8.150 nan 0.000 0.444 367 T N -0.828 113.648 114.554 -0.130 0.000 2.737 367 T HA -0.100 4.261 4.350 0.019 0.000 0.265 367 T C 1.625 176.314 174.700 -0.018 0.000 1.038 367 T CA 1.471 63.459 62.100 -0.185 0.000 1.144 367 T CB -0.382 68.340 68.868 -0.243 0.000 0.866 367 T HN 0.441 nan 8.240 nan 0.000 0.434 368 F N 2.662 122.540 119.950 -0.120 0.000 2.126 368 F HA -0.120 4.418 4.527 0.019 0.000 0.299 368 F C 1.814 177.606 175.800 -0.013 0.000 1.096 368 F CA 1.175 59.188 58.000 0.023 0.000 1.255 368 F CB -0.528 38.451 39.000 -0.035 0.000 0.997 368 F HN 0.076 nan 8.300 nan 0.000 0.479 369 D N 0.109 120.458 120.400 -0.085 0.000 2.178 369 D HA -0.072 4.579 4.640 0.019 0.000 0.202 369 D C 2.360 178.595 176.300 -0.109 0.000 0.974 369 D CA 1.222 55.122 54.000 -0.166 0.000 0.841 369 D CB -0.546 40.202 40.800 -0.087 0.000 0.953 369 D HN 0.369 nan 8.370 nan 0.000 0.478 370 A N 0.450 123.246 122.820 -0.039 0.000 1.873 370 A HA -0.106 4.225 4.320 0.019 0.000 0.215 370 A C 2.443 180.049 177.584 0.036 0.000 1.186 370 A CA 1.128 53.181 52.037 0.025 0.000 0.616 370 A CB -0.581 18.482 19.000 0.106 0.000 0.823 370 A HN 0.150 nan 8.150 nan 0.000 0.442 371 V N -1.268 118.670 119.914 0.039 0.000 2.591 371 V HA -0.081 4.050 4.120 0.019 0.000 0.249 371 V C 1.060 177.130 176.094 -0.039 0.000 1.053 371 V CA 1.101 63.440 62.300 0.065 0.000 1.068 371 V CB -0.834 31.071 31.823 0.137 0.000 0.689 371 V HN 0.621 nan 8.190 nan 0.000 0.462 372 R N 0.560 120.950 120.500 -0.184 0.000 3.875 372 R HA -0.147 4.205 4.340 0.019 0.000 0.321 372 R C 0.297 176.476 176.300 -0.201 0.000 1.196 372 R CA 1.004 56.935 56.100 -0.280 0.000 0.868 372 R CB -2.506 27.700 30.300 -0.157 0.000 1.333 372 R HN 0.800 nan 8.270 nan 0.000 0.522 373 S N -3.537 112.102 115.700 -0.102 0.000 2.683 373 S HA 0.413 4.895 4.470 0.019 0.000 0.269 373 S C 0.561 175.294 174.600 0.222 0.000 1.165 373 S CA -0.046 58.196 58.200 0.071 0.000 0.840 373 S CB 1.671 64.893 63.200 0.038 0.000 1.169 373 S HN 0.207 nan 8.310 nan 0.000 0.490 374 T N -1.939 112.704 114.554 0.148 0.000 3.105 374 T HA 0.306 4.668 4.350 0.019 0.000 0.253 374 T C -0.512 174.122 174.700 -0.109 0.000 1.047 374 T CA -0.064 62.021 62.100 -0.024 0.000 0.944 374 T CB -0.641 68.152 68.868 -0.126 0.000 1.016 374 T HN 0.472 nan 8.240 nan 0.000 0.544 375 D N 3.023 123.408 120.400 -0.025 0.000 2.545 375 D HA 0.438 5.090 4.640 0.019 0.000 0.227 375 D C -0.077 176.216 176.300 -0.013 0.000 1.150 375 D CA 0.022 54.004 54.000 -0.030 0.000 1.046 375 D CB 0.050 40.851 40.800 0.002 0.000 1.098 375 D HN 0.624 nan 8.370 nan 0.000 0.502 376 L N -1.474 119.710 121.223 -0.065 0.000 2.622 376 L HA 0.556 4.908 4.340 0.019 0.000 0.258 376 L C -1.613 175.208 176.870 -0.081 0.000 0.996 376 L CA -1.365 53.480 54.840 0.010 0.000 0.858 376 L CB 1.411 43.583 42.059 0.189 0.000 1.449 376 L HN -0.135 nan 8.230 nan 0.000 0.411 377 L N 1.915 123.100 121.223 -0.063 0.000 2.272 377 L HA 0.614 4.965 4.340 0.019 0.000 0.289 377 L C -1.365 175.558 176.870 0.088 0.000 1.032 377 L CA -0.077 54.678 54.840 -0.142 0.000 0.810 377 L CB 1.036 42.839 42.059 -0.427 0.000 1.205 377 L HN 0.644 nan 8.230 nan 0.000 0.422 378 F N 6.903 126.821 119.950 -0.053 0.000 2.308 378 F HA 0.521 5.060 4.527 0.019 0.000 0.370 378 F C -0.528 175.329 175.800 0.095 0.000 1.100 378 F CA -0.827 57.225 58.000 0.087 0.000 1.108 378 F CB 0.795 39.872 39.000 0.128 0.000 1.293 378 F HN 0.345 nan 8.300 nan 0.000 0.478 379 M N 4.766 124.269 119.600 -0.161 0.000 2.108 379 M HA 0.229 4.721 4.480 0.019 0.000 0.354 379 M C -0.157 176.019 176.300 -0.207 0.000 1.229 379 M CA -0.044 55.208 55.300 -0.079 0.000 1.081 379 M CB 0.842 33.466 32.600 0.040 0.000 1.606 379 M HN 0.493 nan 8.290 nan 0.000 0.467 380 S N 1.795 117.448 115.700 -0.078 0.000 2.532 380 S HA 0.811 5.292 4.470 0.019 0.000 0.299 380 S C 0.463 175.072 174.600 0.015 0.000 1.105 380 S CA -0.353 57.813 58.200 -0.058 0.000 1.018 380 S CB 1.396 64.622 63.200 0.044 0.000 1.021 380 S HN 0.883 nan 8.310 nan 0.000 0.483 381 G N 3.201 112.000 108.800 -0.001 0.000 2.606 381 G HA2 0.309 4.281 3.960 0.019 0.000 0.213 381 G HA3 0.309 4.281 3.960 0.019 0.000 0.213 381 G C 1.299 176.218 174.900 0.032 0.000 2.020 381 G CA 0.399 45.509 45.100 0.018 0.000 0.814 381 G HN 0.922 nan 8.290 nan 0.000 0.685 382 G N 0.614 109.426 108.800 0.021 0.000 2.462 382 G HA2 0.069 4.041 3.960 0.019 0.000 0.220 382 G HA3 0.069 4.041 3.960 0.019 0.000 0.220 382 G C 1.714 176.649 174.900 0.058 0.000 1.121 382 G CA 1.486 46.632 45.100 0.077 0.000 0.758 382 G HN 0.754 nan 8.290 nan 0.000 0.559 383 G N 0.432 109.152 108.800 -0.134 0.000 2.479 383 G HA2 -0.116 3.856 3.960 0.019 0.000 0.220 383 G HA3 -0.116 3.856 3.960 0.019 0.000 0.220 383 G C 1.606 176.535 174.900 0.048 0.000 1.115 383 G CA 0.819 45.729 45.100 -0.317 0.000 0.757 383 G HN 0.488 nan 8.290 nan 0.000 0.560 384 I N -0.716 119.933 120.570 0.131 0.000 2.899 384 I HA 0.174 4.355 4.170 0.019 0.000 0.257 384 I C 2.313 178.542 176.117 0.187 0.000 1.115 384 I CA 0.107 61.516 61.300 0.181 0.000 1.451 384 I CB 0.077 38.156 38.000 0.131 0.000 1.251 384 I HN 0.018 nan 8.210 nan 0.000 0.456 385 L N 0.660 121.968 121.223 0.142 0.000 2.291 385 L HA 0.011 4.363 4.340 0.019 0.000 0.214 385 L C 2.052 178.998 176.870 0.126 0.000 1.120 385 L CA 0.765 55.670 54.840 0.108 0.000 0.799 385 L CB -0.426 41.675 42.059 0.070 0.000 0.925 385 L HN 0.207 nan 8.230 nan 0.000 0.446 386 A N -2.294 120.651 122.820 0.208 0.000 2.387 386 A HA 0.027 4.359 4.320 0.019 0.000 0.234 386 A C 0.681 178.287 177.584 0.036 0.000 1.253 386 A CA -0.326 51.813 52.037 0.170 0.000 0.894 386 A CB -0.494 18.672 19.000 0.276 0.000 0.963 386 A HN 0.264 nan 8.150 nan 0.000 0.508 387 H N 1.317 120.430 119.070 0.072 0.000 3.001 387 H HA 0.041 4.609 4.556 0.019 0.000 0.334 387 H C -1.718 173.376 175.328 -0.391 0.000 1.034 387 H CA -0.820 55.154 56.048 -0.123 0.000 1.420 387 H CB 1.076 30.883 29.762 0.075 0.000 1.405 387 H HN 0.050 nan 8.280 nan 0.000 0.593 388 P HA -0.106 nan 4.420 nan 0.000 0.221 388 P C 0.309 177.528 177.300 -0.136 0.000 1.145 388 P CA 1.270 64.015 63.100 -0.591 0.000 0.795 388 P CB 0.376 31.656 31.700 -0.700 0.000 0.775 389 D N -1.335 119.174 120.400 0.182 0.000 2.402 389 D HA 0.317 4.968 4.640 0.019 0.000 0.216 389 D C 1.050 177.378 176.300 0.046 0.000 1.128 389 D CA 0.447 54.513 54.000 0.110 0.000 0.833 389 D CB 0.505 41.386 40.800 0.134 0.000 0.971 389 D HN 0.095 nan 8.370 nan 0.000 0.503 390 G N 1.464 110.297 108.800 0.056 0.000 2.570 390 G HA2 -0.157 3.815 3.960 0.019 0.000 0.686 390 G HA3 -0.157 3.815 3.960 0.019 0.000 0.686 390 G C -2.402 172.502 174.900 0.006 0.000 1.257 390 G CA -0.968 44.139 45.100 0.012 0.000 0.846 390 G HN -0.205 nan 8.290 nan 0.000 0.627 391 P HA -0.007 nan 4.420 nan 0.000 0.216 391 P C 2.221 179.517 177.300 -0.008 0.000 1.150 391 P CA 2.734 65.848 63.100 0.022 0.000 0.837 391 P CB 0.060 31.769 31.700 0.016 0.000 0.786 392 A N 0.172 122.976 122.820 -0.027 0.000 1.902 392 A HA -0.110 4.222 4.320 0.019 0.000 0.217 392 A C 2.340 179.875 177.584 -0.082 0.000 1.181 392 A CA 2.103 54.120 52.037 -0.033 0.000 0.623 392 A CB -1.613 17.374 19.000 -0.021 0.000 0.818 392 A HN 0.192 nan 8.150 nan 0.000 0.443 393 A N -0.461 122.260 122.820 -0.166 0.000 1.933 393 A HA 0.118 4.449 4.320 0.019 0.000 0.218 393 A C 2.386 179.668 177.584 -0.505 0.000 1.175 393 A CA 1.935 53.751 52.037 -0.368 0.000 0.628 393 A CB -1.355 17.333 19.000 -0.520 0.000 0.814 393 A HN 0.714 nan 8.150 nan 0.000 0.444 394 G N -0.403 108.211 108.800 -0.309 0.000 2.433 394 G HA2 -0.148 3.824 3.960 0.019 0.000 0.216 394 G HA3 -0.148 3.824 3.960 0.019 0.000 0.216 394 G C 1.521 176.468 174.900 0.078 0.000 1.186 394 G CA 1.304 46.410 45.100 0.011 0.000 0.779 394 G HN 0.322 nan 8.290 nan 0.000 0.543 395 V N 0.977 120.922 119.914 0.051 0.000 2.332 395 V HA -0.199 3.933 4.120 0.019 0.000 0.248 395 V C 3.159 179.301 176.094 0.079 0.000 1.055 395 V CA 2.374 64.724 62.300 0.085 0.000 1.038 395 V CB -0.982 30.878 31.823 0.063 0.000 0.651 395 V HN 0.393 nan 8.190 nan 0.000 0.450 396 T N 0.347 114.916 114.554 0.025 0.000 2.788 396 T HA -0.182 4.179 4.350 0.019 0.000 0.268 396 T C 2.140 176.879 174.700 0.064 0.000 1.044 396 T CA 1.844 63.962 62.100 0.031 0.000 1.139 396 T CB -0.358 68.503 68.868 -0.012 0.000 0.867 396 T HN 0.753 nan 8.240 nan 0.000 0.454 397 S N 1.193 116.935 115.700 0.070 0.000 2.382 397 S HA -0.099 4.383 4.470 0.019 0.000 0.228 397 S C 2.147 176.833 174.600 0.143 0.000 1.027 397 S CA 1.107 59.400 58.200 0.155 0.000 0.991 397 S CB -0.888 62.499 63.200 0.312 0.000 0.823 397 S HN 0.306 nan 8.310 nan 0.000 0.469 398 V N 2.248 122.260 119.914 0.164 0.000 2.379 398 V HA -0.055 4.077 4.120 0.019 0.000 0.245 398 V C 3.045 179.242 176.094 0.171 0.000 1.044 398 V CA 1.588 63.984 62.300 0.160 0.000 1.036 398 V CB -0.712 31.285 31.823 0.291 0.000 0.664 398 V HN 0.416 nan 8.190 nan 0.000 0.453 399 R N 0.031 120.637 120.500 0.177 0.000 2.096 399 R HA -0.155 4.197 4.340 0.019 0.000 0.235 399 R C 2.261 178.645 176.300 0.140 0.000 1.127 399 R CA 1.435 57.636 56.100 0.168 0.000 0.968 399 R CB -0.557 29.809 30.300 0.111 0.000 0.861 399 R HN 0.618 nan 8.270 nan 0.000 0.440 400 Q N -0.150 119.729 119.800 0.131 0.000 2.119 400 Q HA -0.044 4.308 4.340 0.019 0.000 0.201 400 Q C 2.150 178.225 176.000 0.124 0.000 0.972 400 Q CA 1.537 57.461 55.803 0.201 0.000 0.847 400 Q CB -0.151 28.704 28.738 0.194 0.000 0.903 400 Q HN 0.341 nan 8.270 nan 0.000 0.433 401 A N 0.169 122.972 122.820 -0.028 0.000 1.883 401 A HA -0.198 4.133 4.320 0.019 0.000 0.217 401 A C 1.613 178.936 177.584 -0.435 0.000 1.186 401 A CA 1.254 53.133 52.037 -0.263 0.000 0.624 401 A CB -1.047 17.698 19.000 -0.425 0.000 0.822 401 A HN 0.525 nan 8.150 nan 0.000 0.444 402 W N -0.371 120.760 121.300 -0.283 0.000 2.358 402 W HA -0.054 4.618 4.660 0.020 0.000 0.303 402 W C 2.803 179.096 176.519 -0.377 0.000 1.208 402 W CA 1.336 58.453 57.345 -0.380 0.000 1.274 402 W CB -0.191 29.063 29.460 -0.344 0.000 1.138 402 W HN 0.398 nan 8.180 nan 0.000 0.515 403 A N 0.502 123.286 122.820 -0.059 0.000 1.908 403 A HA -0.160 4.172 4.320 0.019 0.000 0.218 403 A C 2.034 179.356 177.584 -0.437 0.000 1.181 403 A CA 2.524 54.461 52.037 -0.166 0.000 0.627 403 A CB -1.339 17.643 19.000 -0.030 0.000 0.818 403 A HN 0.225 nan 8.150 nan 0.000 0.445 404 A N -0.083 122.355 122.820 -0.637 0.000 1.858 404 A HA -0.048 4.284 4.320 0.019 0.000 0.216 404 A C 2.388 179.692 177.584 -0.467 0.000 1.190 404 A CA 2.576 54.130 52.037 -0.804 0.000 0.617 404 A CB -1.363 17.269 19.000 -0.613 0.000 0.827 404 A HN 1.226 nan 8.150 nan 0.000 0.443 405 V N -2.222 117.426 119.914 -0.443 0.000 2.515 405 V HA -0.264 3.868 4.120 0.019 0.000 0.250 405 V C 2.051 177.891 176.094 -0.424 0.000 1.058 405 V CA 2.260 64.318 62.300 -0.403 0.000 1.064 405 V CB -1.192 30.322 31.823 -0.515 0.000 0.675 405 V HN 0.616 nan 8.190 nan 0.000 0.461 406 Q N 0.887 120.381 119.800 -0.510 0.000 2.167 406 Q HA 0.081 4.433 4.340 0.019 0.000 0.202 406 Q C 2.322 178.236 176.000 -0.144 0.000 0.970 406 Q CA 1.609 57.197 55.803 -0.359 0.000 0.855 406 Q CB -0.334 28.231 28.738 -0.288 0.000 0.911 406 Q HN 0.785 nan 8.270 nan 0.000 0.438 407 A N -0.147 122.560 122.820 -0.188 0.000 2.169 407 A HA 0.275 4.607 4.320 0.019 0.000 0.212 407 A C 1.529 179.061 177.584 -0.087 0.000 1.153 407 A CA 0.839 52.798 52.037 -0.131 0.000 0.756 407 A CB -0.120 18.769 19.000 -0.184 0.000 0.813 407 A HN 0.443 nan 8.150 nan 0.000 0.471 408 G N -1.488 107.260 108.800 -0.087 0.000 2.141 408 G HA2 -0.193 3.778 3.960 0.019 0.000 0.242 408 G HA3 -0.193 3.778 3.960 0.019 0.000 0.242 408 G C 0.391 175.259 174.900 -0.053 0.000 0.982 408 G CA 0.566 45.647 45.100 -0.033 0.000 0.662 408 G HN 1.024 nan 8.290 nan 0.000 0.527 409 T N 1.472 115.961 114.554 -0.108 0.000 2.829 409 T HA 0.620 4.982 4.350 0.019 0.000 0.282 409 T C -2.347 172.307 174.700 -0.078 0.000 0.990 409 T CA -1.500 60.559 62.100 -0.069 0.000 1.028 409 T CB 1.411 70.257 68.868 -0.036 0.000 0.951 409 T HN 0.024 nan 8.240 nan 0.000 0.460 410 P HA 0.105 nan 4.420 nan 0.000 0.266 410 P C 0.739 178.024 177.300 -0.024 0.000 1.195 410 P CA -0.382 62.694 63.100 -0.040 0.000 0.768 410 P CB 0.486 32.174 31.700 -0.019 0.000 0.838 411 L N 5.437 126.624 121.223 -0.060 0.000 2.013 411 L HA -0.143 4.209 4.340 0.019 0.000 0.212 411 L C -0.698 176.189 176.870 0.029 0.000 1.073 411 L CA 2.774 57.596 54.840 -0.030 0.000 0.753 411 L CB -2.153 39.841 42.059 -0.108 0.000 0.890 411 L HN 0.519 nan 8.230 nan 0.000 0.432 412 P HA -0.053 nan 4.420 nan 0.000 0.226 412 P C 1.870 179.172 177.300 0.005 0.000 1.153 412 P CA 0.704 63.811 63.100 0.012 0.000 0.777 412 P CB 0.174 31.877 31.700 0.004 0.000 0.794 413 V N -1.442 118.484 119.914 0.020 0.000 2.346 413 V HA -0.216 3.915 4.120 0.019 0.000 0.244 413 V C 2.183 178.293 176.094 0.025 0.000 1.037 413 V CA 1.440 63.745 62.300 0.009 0.000 1.029 413 V CB -1.306 30.541 31.823 0.040 0.000 0.663 413 V HN 0.006 nan 8.190 nan 0.000 0.454 414 Y N 1.517 121.800 120.300 -0.028 0.000 2.274 414 Y HA -0.182 4.379 4.550 0.019 0.000 0.290 414 Y C 2.395 178.295 175.900 0.000 0.000 1.145 414 Y CA 0.945 59.069 58.100 0.039 0.000 1.203 414 Y CB -0.596 37.880 38.460 0.027 0.000 0.984 414 Y HN 0.177 nan 8.280 nan 0.000 0.533 415 A N -0.083 122.757 122.820 0.034 0.000 2.024 415 A HA -0.175 4.157 4.320 0.019 0.000 0.220 415 A C 2.043 179.566 177.584 -0.101 0.000 1.164 415 A CA 1.730 53.752 52.037 -0.025 0.000 0.643 415 A CB -0.466 18.548 19.000 0.024 0.000 0.806 415 A HN 0.444 nan 8.150 nan 0.000 0.451 416 E N -0.300 119.788 120.200 -0.186 0.000 2.268 416 E HA -0.147 4.215 4.350 0.019 0.000 0.195 416 E C 1.203 177.632 176.600 -0.285 0.000 0.995 416 E CA 0.925 57.173 56.400 -0.252 0.000 0.836 416 E CB -0.299 29.200 29.700 -0.336 0.000 0.763 416 E HN 0.775 nan 8.360 nan 0.000 0.491 417 H N -1.498 117.482 119.070 -0.150 0.000 2.592 417 H HA 0.230 4.798 4.556 0.019 0.000 0.265 417 H C 0.407 175.594 175.328 -0.235 0.000 0.955 417 H CA 0.306 56.231 56.048 -0.205 0.000 1.175 417 H CB 0.663 30.239 29.762 -0.309 0.000 1.433 417 H HN 0.000 nan 8.280 nan 0.000 0.537 418 M N 1.032 120.552 119.600 -0.134 0.000 2.031 418 M HA 0.246 4.738 4.480 0.019 0.000 0.273 418 M C -2.224 174.054 176.300 -0.035 0.000 0.904 418 M CA -1.863 53.358 55.300 -0.132 0.000 0.963 418 M CB 2.190 34.638 32.600 -0.254 0.000 1.707 418 M HN -0.199 nan 8.290 nan 0.000 0.427 419 P HA -0.115 nan 4.420 nan 0.000 0.216 419 P C 0.913 178.262 177.300 0.082 0.000 1.153 419 P CA 1.529 64.646 63.100 0.028 0.000 0.848 419 P CB 0.499 32.211 31.700 0.020 0.000 0.787 420 E N -0.674 119.573 120.200 0.078 0.000 2.051 420 E HA -0.163 4.199 4.350 0.019 0.000 0.192 420 E C 1.873 178.635 176.600 0.270 0.000 0.991 420 E CA 0.826 57.308 56.400 0.137 0.000 0.799 420 E CB -1.200 28.504 29.700 0.006 0.000 0.748 420 E HN 0.083 nan 8.360 nan 0.000 0.449 421 L N 0.961 122.288 121.223 0.173 0.000 2.017 421 L HA -0.151 4.200 4.340 0.019 0.000 0.208 421 L C 2.277 179.262 176.870 0.192 0.000 1.073 421 L CA 1.874 56.828 54.840 0.190 0.000 0.745 421 L CB -0.354 41.781 42.059 0.127 0.000 0.894 421 L HN -0.033 nan 8.230 nan 0.000 0.432 422 R N -1.027 119.549 120.500 0.127 0.000 2.083 422 R HA -0.153 4.199 4.340 0.019 0.000 0.237 422 R C 2.381 178.758 176.300 0.128 0.000 1.137 422 R CA 1.304 57.465 56.100 0.102 0.000 0.951 422 R CB -0.125 30.205 30.300 0.049 0.000 0.851 422 R HN 0.287 nan 8.270 nan 0.000 0.434 423 R N 0.020 120.604 120.500 0.140 0.000 2.096 423 R HA -0.069 4.283 4.340 0.019 0.000 0.235 423 R C 2.151 178.480 176.300 0.049 0.000 1.127 423 R CA 1.368 57.518 56.100 0.082 0.000 0.968 423 R CB -0.703 29.654 30.300 0.095 0.000 0.861 423 R HN 0.326 nan 8.270 nan 0.000 0.440 424 A N 1.267 124.215 122.820 0.213 0.000 1.877 424 A HA -0.100 4.232 4.320 0.019 0.000 0.216 424 A C 2.390 180.316 177.584 0.570 0.000 1.186 424 A CA 1.074 53.355 52.037 0.406 0.000 0.620 424 A CB -0.579 18.836 19.000 0.692 0.000 0.822 424 A HN 0.186 nan 8.150 nan 0.000 0.443 425 L N -0.843 120.667 121.223 0.478 0.000 2.083 425 L HA -0.190 4.162 4.340 0.019 0.000 0.209 425 L C 3.056 180.102 176.870 0.295 0.000 1.083 425 L CA 1.031 56.159 54.840 0.479 0.000 0.752 425 L CB -0.519 41.701 42.059 0.269 0.000 0.899 425 L HN 0.450 nan 8.230 nan 0.000 0.433 426 A N -0.449 122.476 122.820 0.174 0.000 1.929 426 A HA -0.220 4.112 4.320 0.019 0.000 0.216 426 A C 2.132 179.726 177.584 0.017 0.000 1.176 426 A CA 1.269 53.355 52.037 0.081 0.000 0.628 426 A CB -0.620 18.414 19.000 0.056 0.000 0.816 426 A HN 0.383 nan 8.150 nan 0.000 0.444 427 F N -0.554 119.280 119.950 -0.193 0.000 2.149 427 F HA 0.204 4.743 4.527 0.019 0.000 0.294 427 F C 0.644 176.143 175.800 -0.501 0.000 1.095 427 F CA 0.278 58.028 58.000 -0.417 0.000 1.276 427 F CB -0.140 38.447 39.000 -0.687 0.000 1.023 427 F HN 0.116 nan 8.300 nan 0.000 0.480 428 F N 0.000 119.796 119.950 -0.257 0.000 2.286 428 F HA 0.000 4.539 4.527 0.020 0.000 0.279 428 F CA 0.000 57.611 58.000 -0.648 0.000 1.383 428 F CB 0.000 38.179 39.000 -1.368 0.000 1.145 428 F HN 0.000 nan 8.300 nan 0.000 0.574