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 3e0w_1_A DATA FIRST_RESID 7 DATA SEQUENCE LTLSIFDPVA NYRAARIICT IGPSTQSVEA LKGLIQSGMS VARMNFSHGS DATA SEQUENCE HEYHQTTINN VRQAAAELGV NIAIALDTKG PEIRTGQFVG GDAVMERGAT DATA SEQUENCE CYVTTDPAFA DKGTKDKFYI DYQNLSKVVR PGNYIYIDDG ILILQVQSHE DATA SEQUENCE DEQTLECTVT NSHTISDRRG VNLPGCDVDL PAVSAKDRVD LQFGVEQGVD DATA SEQUENCE MIFASFIRSA EQVGDVRKAL GPKGRDIMII CKIENHQGVQ NIDSIIEESD DATA SEQUENCE GIMVARGDLG VEIPAEKVVV AQKILISKCN VAGKPVICAT QMLESMTYNP DATA SEQUENCE RPTRAEVSDV ANAVFNGADC VMLSGETAKG KYPNEVVQYM ARICLEAQSA DATA SEQUENCE LNEYVFFNSI KKLQHIPMSA DEAVCSSAVN SVYETKAKAM VVLSNTGRSA DATA SEQUENCE RLVAKYRPNC PIVCVTTRLQ TCRQLNITQG VESVFFDADK LGHDWGKEHR DATA SEQUENCE VAAGVEFAKS KGYVQTGDYC VVIHADXXXX XXXNQTRILL VE 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 7 L HA 0.000 nan 4.340 nan 0.000 0.249 7 L C 0.000 176.887 176.870 0.029 0.000 1.165 7 L CA 0.000 54.856 54.840 0.026 0.000 0.813 7 L CB 0.000 42.076 42.059 0.028 0.000 0.961 8 T N 4.996 119.566 114.554 0.027 0.000 1.969 8 T HA -0.122 4.228 4.350 -0.000 0.000 0.592 8 T C -0.653 174.053 174.700 0.010 0.000 0.903 8 T CA 0.121 62.235 62.100 0.023 0.000 3.149 8 T CB -0.623 68.267 68.868 0.036 0.000 1.870 8 T HN 0.542 nan 8.240 nan 0.000 0.458 9 L N 3.868 125.088 121.223 -0.006 0.000 2.407 9 L HA 0.404 4.744 4.340 -0.000 0.000 0.261 9 L C 0.878 177.709 176.870 -0.065 0.000 1.108 9 L CA 0.316 55.139 54.840 -0.029 0.000 0.995 9 L CB 0.133 42.177 42.059 -0.024 0.000 1.349 9 L HN 0.779 nan 8.230 nan 0.000 0.423 10 S N 2.062 117.713 115.700 -0.083 0.000 2.606 10 S HA 0.587 5.057 4.470 -0.000 0.000 0.257 10 S C 0.402 174.821 174.600 -0.301 0.000 1.327 10 S CA -0.226 57.892 58.200 -0.138 0.000 0.984 10 S CB 1.234 64.380 63.200 -0.089 0.000 0.941 10 S HN 0.474 nan 8.310 nan 0.000 0.576 11 I N -2.208 118.135 120.570 -0.379 0.000 3.279 11 I HA 0.769 4.938 4.170 -0.000 0.000 0.315 11 I C -1.724 174.018 176.117 -0.625 0.000 1.187 11 I CA -1.455 59.483 61.300 -0.603 0.000 0.953 11 I CB 0.995 38.837 38.000 -0.264 0.000 1.279 11 I HN 0.630 nan 8.210 nan 0.000 0.465 12 F N 0.599 120.556 119.950 0.010 0.000 2.552 12 F HA 0.776 5.303 4.527 -0.000 0.000 0.369 12 F C -0.222 175.581 175.800 0.004 0.000 1.112 12 F CA -0.540 57.464 58.000 0.007 0.000 1.129 12 F CB 0.467 39.466 39.000 -0.002 0.000 1.360 12 F HN 0.676 nan 8.300 nan 0.000 0.473 13 D N 0.023 120.501 120.400 0.130 0.000 2.887 13 D HA 0.155 4.795 4.640 -0.000 0.000 0.162 13 D C -0.924 175.408 176.300 0.053 0.000 1.495 13 D CA 0.217 54.269 54.000 0.086 0.000 1.531 13 D CB -1.131 39.704 40.800 0.059 0.000 1.459 13 D HN 0.241 nan 8.370 nan 0.000 0.256 14 P HA 0.259 nan 4.420 nan 0.000 0.195 14 P C -0.406 176.897 177.300 0.006 0.000 1.086 14 P CA 0.194 63.305 63.100 0.019 0.000 0.798 14 P CB -0.107 31.599 31.700 0.010 0.000 0.679 15 V N -1.130 118.771 119.914 -0.022 0.000 5.574 15 V HA -0.082 4.038 4.120 -0.000 0.000 0.296 15 V C 0.518 176.574 176.094 -0.065 0.000 0.678 15 V CA -0.186 62.077 62.300 -0.063 0.000 1.093 15 V CB -2.711 29.091 31.823 -0.036 0.000 1.279 15 V HN 0.743 nan 8.190 nan 0.000 0.446 16 A N 3.761 126.523 122.820 -0.097 0.000 2.310 16 A HA 0.488 4.808 4.320 -0.000 0.000 0.260 16 A C 1.383 178.937 177.584 -0.051 0.000 1.112 16 A CA 0.387 52.411 52.037 -0.022 0.000 0.804 16 A CB 0.104 19.160 19.000 0.093 0.000 1.081 16 A HN 0.729 nan 8.150 nan 0.000 0.499 17 N N -0.877 117.874 118.700 0.086 0.000 2.149 17 N HA -0.142 4.598 4.740 -0.000 0.000 0.188 17 N C 0.923 176.503 175.510 0.116 0.000 1.019 17 N CA 1.860 54.973 53.050 0.104 0.000 0.857 17 N CB -0.541 38.039 38.487 0.156 0.000 0.997 17 N HN 0.778 nan 8.380 nan 0.000 0.426 18 Y N 0.591 120.931 120.300 0.066 0.000 2.296 18 Y HA 0.061 4.611 4.550 -0.000 0.000 0.396 18 Y C 1.520 177.430 175.900 0.017 0.000 1.347 18 Y CA -0.174 57.949 58.100 0.037 0.000 1.875 18 Y CB 0.008 38.450 38.460 -0.031 0.000 1.685 18 Y HN 0.168 nan 8.280 nan 0.000 0.642 19 R N -1.491 118.911 120.500 -0.163 0.000 4.024 19 R HA -0.275 4.065 4.340 -0.000 0.000 0.391 19 R C -0.571 175.652 176.300 -0.129 0.000 1.157 19 R CA 0.782 56.734 56.100 -0.247 0.000 1.215 19 R CB -2.633 27.311 30.300 -0.593 0.000 1.738 19 R HN 1.146 nan 8.270 nan 0.000 0.566 20 A N 1.193 123.975 122.820 -0.064 0.000 2.351 20 A HA 0.733 5.053 4.320 -0.000 0.000 0.257 20 A C 0.962 178.555 177.584 0.014 0.000 1.087 20 A CA 0.087 52.113 52.037 -0.018 0.000 0.798 20 A CB 0.744 19.747 19.000 0.005 0.000 1.033 20 A HN 0.701 nan 8.150 nan 0.000 0.488 21 A N 1.700 124.531 122.820 0.017 0.000 2.346 21 A HA 0.554 4.874 4.320 -0.000 0.000 0.255 21 A C 0.457 178.068 177.584 0.044 0.000 1.113 21 A CA -0.206 51.848 52.037 0.029 0.000 0.798 21 A CB 0.172 19.188 19.000 0.026 0.000 1.073 21 A HN 0.772 nan 8.150 nan 0.000 0.502 22 R N -0.322 120.207 120.500 0.049 0.000 2.589 22 R HA 0.530 4.870 4.340 -0.000 0.000 0.293 22 R C -1.200 175.137 176.300 0.062 0.000 0.963 22 R CA -0.375 55.761 56.100 0.060 0.000 0.905 22 R CB 1.163 31.503 30.300 0.066 0.000 1.144 22 R HN 0.639 nan 8.270 nan 0.000 0.459 23 I N 3.913 124.523 120.570 0.067 0.000 2.336 23 I HA 0.365 4.535 4.170 -0.000 0.000 0.292 23 I C 0.238 176.405 176.117 0.084 0.000 0.991 23 I CA -0.395 60.947 61.300 0.070 0.000 1.227 23 I CB 1.157 39.198 38.000 0.067 0.000 1.366 23 I HN 0.301 nan 8.210 nan 0.000 0.466 24 I N 5.770 126.397 120.570 0.095 0.000 2.354 24 I HA 0.330 4.500 4.170 -0.000 0.000 0.292 24 I C -0.668 175.517 176.117 0.114 0.000 0.989 24 I CA -0.369 61.006 61.300 0.125 0.000 1.188 24 I CB 1.337 39.445 38.000 0.180 0.000 1.342 24 I HN 0.539 nan 8.210 nan 0.000 0.457 25 C N 3.968 123.332 119.300 0.107 0.000 2.351 25 C HA 0.417 4.877 4.460 -0.000 0.000 0.326 25 C C 0.643 175.697 174.990 0.108 0.000 1.272 25 C CA -0.571 58.504 59.018 0.096 0.000 1.650 25 C CB 0.994 28.781 27.740 0.078 0.000 2.257 25 C HN 0.657 nan 8.230 nan 0.000 0.505 26 T N 4.474 119.093 114.554 0.109 0.000 2.737 26 T HA 0.294 4.644 4.350 -0.000 0.000 0.296 26 T C 0.166 174.932 174.700 0.110 0.000 0.922 26 T CA -0.043 62.130 62.100 0.122 0.000 1.079 26 T CB -0.047 68.894 68.868 0.122 0.000 0.892 26 T HN 0.331 nan 8.240 nan 0.000 0.514 27 I N 3.584 124.230 120.570 0.127 0.000 2.529 27 I HA 0.527 4.697 4.170 -0.000 0.000 0.284 27 I C 1.012 177.227 176.117 0.164 0.000 1.082 27 I CA 0.631 62.007 61.300 0.126 0.000 1.406 27 I CB 0.691 38.763 38.000 0.121 0.000 1.405 27 I HN 0.807 nan 8.210 nan 0.000 0.548 28 G N 5.405 114.288 108.800 0.138 0.000 2.782 28 G HA2 0.439 4.399 3.960 -0.000 0.000 0.304 28 G HA3 0.439 4.399 3.960 -0.000 0.000 0.304 28 G C -2.488 172.496 174.900 0.141 0.000 1.315 28 G CA -0.603 44.593 45.100 0.160 0.000 0.791 28 G HN 0.295 nan 8.290 nan 0.000 0.519 29 P HA -0.111 nan 4.420 nan 0.000 0.218 29 P C 1.934 179.260 177.300 0.043 0.000 1.150 29 P CA 1.960 65.113 63.100 0.088 0.000 0.841 29 P CB 0.229 31.954 31.700 0.043 0.000 0.784 30 S N -1.942 113.774 115.700 0.026 0.000 2.453 30 S HA -0.043 4.427 4.470 -0.000 0.000 0.231 30 S C 1.390 175.997 174.600 0.012 0.000 1.005 30 S CA 1.661 59.863 58.200 0.004 0.000 0.949 30 S CB -0.642 62.549 63.200 -0.014 0.000 0.774 30 S HN 0.370 nan 8.310 nan 0.000 0.510 31 T N -2.142 112.428 114.554 0.028 0.000 3.262 31 T HA 0.293 4.643 4.350 -0.000 0.000 0.300 31 T C 0.935 175.647 174.700 0.021 0.000 0.959 31 T CA -0.393 61.723 62.100 0.027 0.000 0.936 31 T CB 0.106 68.996 68.868 0.037 0.000 1.169 31 T HN 0.156 nan 8.240 nan 0.000 0.532 32 Q N 2.202 122.010 119.800 0.012 0.000 2.245 32 Q HA 0.051 4.391 4.340 -0.000 0.000 0.201 32 Q C 1.173 177.149 176.000 -0.041 0.000 0.955 32 Q CA 0.581 56.365 55.803 -0.031 0.000 0.870 32 Q CB 0.035 28.716 28.738 -0.094 0.000 0.945 32 Q HN 0.675 nan 8.270 nan 0.000 0.461 33 S N -1.076 114.610 115.700 -0.023 0.000 2.568 33 S HA -0.001 4.469 4.470 -0.000 0.000 0.282 33 S C 1.303 175.895 174.600 -0.014 0.000 1.338 33 S CA -0.375 57.812 58.200 -0.021 0.000 1.045 33 S CB 1.339 64.532 63.200 -0.011 0.000 0.873 33 S HN 0.133 nan 8.310 nan 0.000 0.516 34 V N 2.738 122.643 119.914 -0.015 0.000 2.332 34 V HA -0.178 3.942 4.120 -0.000 0.000 0.248 34 V C 2.784 178.877 176.094 -0.002 0.000 1.055 34 V CA 2.457 64.752 62.300 -0.009 0.000 1.038 34 V CB -1.120 30.697 31.823 -0.011 0.000 0.651 34 V HN 1.057 nan 8.190 nan 0.000 0.450 35 E N -0.189 120.011 120.200 -0.001 0.000 2.072 35 E HA -0.210 4.140 4.350 -0.000 0.000 0.191 35 E C 2.272 178.878 176.600 0.009 0.000 0.985 35 E CA 1.296 57.699 56.400 0.005 0.000 0.801 35 E CB -0.185 29.517 29.700 0.004 0.000 0.750 35 E HN 0.574 nan 8.360 nan 0.000 0.452 36 A N 0.960 123.785 122.820 0.009 0.000 1.933 36 A HA -0.144 4.176 4.320 -0.000 0.000 0.218 36 A C 2.178 179.774 177.584 0.019 0.000 1.175 36 A CA 0.986 53.031 52.037 0.015 0.000 0.628 36 A CB -0.599 18.409 19.000 0.012 0.000 0.814 36 A HN 0.280 nan 8.150 nan 0.000 0.444 37 L N -0.584 120.648 121.223 0.015 0.000 2.131 37 L HA -0.183 4.157 4.340 -0.000 0.000 0.210 37 L C 2.518 179.400 176.870 0.019 0.000 1.092 37 L CA 1.324 56.175 54.840 0.018 0.000 0.759 37 L CB -0.321 41.745 42.059 0.011 0.000 0.903 37 L HN 0.328 nan 8.230 nan 0.000 0.435 38 K N -0.125 120.284 120.400 0.016 0.000 2.097 38 K HA -0.098 4.222 4.320 -0.000 0.000 0.205 38 K C 2.125 178.739 176.600 0.023 0.000 1.050 38 K CA 1.331 57.628 56.287 0.017 0.000 0.938 38 K CB -0.448 32.060 32.500 0.013 0.000 0.718 38 K HN 0.409 nan 8.250 nan 0.000 0.442 39 G N 1.591 110.406 108.800 0.025 0.000 2.418 39 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.217 39 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.217 39 G C 1.470 176.393 174.900 0.037 0.000 1.158 39 G CA 0.383 45.502 45.100 0.031 0.000 0.771 39 G HN 0.045 nan 8.290 nan 0.000 0.545 40 L N 0.697 121.943 121.223 0.038 0.000 2.017 40 L HA 0.058 4.398 4.340 -0.000 0.000 0.208 40 L C 2.867 179.763 176.870 0.042 0.000 1.073 40 L CA 1.093 55.959 54.840 0.043 0.000 0.745 40 L CB -0.705 41.380 42.059 0.044 0.000 0.894 40 L HN 0.221 nan 8.230 nan 0.000 0.432 41 I N -1.284 119.308 120.570 0.037 0.000 2.163 41 I HA -0.361 3.809 4.170 -0.000 0.000 0.243 41 I C 2.548 178.687 176.117 0.038 0.000 1.085 41 I CA 1.293 62.614 61.300 0.036 0.000 1.347 41 I CB -0.229 37.788 38.000 0.029 0.000 1.044 41 I HN 0.357 nan 8.210 nan 0.000 0.408 42 Q N 0.331 120.151 119.800 0.034 0.000 2.167 42 Q HA -0.155 4.185 4.340 -0.000 0.000 0.202 42 Q C 2.203 178.224 176.000 0.035 0.000 0.970 42 Q CA 1.642 57.464 55.803 0.033 0.000 0.855 42 Q CB 0.137 28.892 28.738 0.028 0.000 0.911 42 Q HN 0.397 nan 8.270 nan 0.000 0.438 43 S N -1.606 114.117 115.700 0.039 0.000 2.436 43 S HA 0.091 4.561 4.470 -0.000 0.000 0.228 43 S C 1.120 175.746 174.600 0.043 0.000 1.014 43 S CA 0.872 59.096 58.200 0.041 0.000 0.950 43 S CB 0.567 63.797 63.200 0.051 0.000 0.784 43 S HN 0.643 nan 8.310 nan 0.000 0.504 44 G N 0.604 109.433 108.800 0.047 0.000 2.834 44 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.217 44 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.217 44 G C -0.014 174.920 174.900 0.057 0.000 0.974 44 G CA -0.413 44.718 45.100 0.052 0.000 0.826 44 G HN 0.339 nan 8.290 nan 0.000 0.584 45 M N 1.637 121.271 119.600 0.056 0.000 2.269 45 M HA 0.461 4.940 4.480 -0.000 0.000 0.350 45 M C 1.091 177.425 176.300 0.058 0.000 1.429 45 M CA 0.760 56.095 55.300 0.059 0.000 1.063 45 M CB 0.889 33.522 32.600 0.055 0.000 1.841 45 M HN -0.016 nan 8.290 nan 0.000 0.455 46 S N 3.166 118.904 115.700 0.064 0.000 2.514 46 S HA 0.235 4.705 4.470 -0.000 0.000 0.223 46 S C -0.273 174.363 174.600 0.060 0.000 1.046 46 S CA -0.208 58.029 58.200 0.062 0.000 0.914 46 S CB 0.630 63.872 63.200 0.070 0.000 0.807 46 S HN 0.635 nan 8.310 nan 0.000 0.497 47 V N 1.686 121.643 119.914 0.071 0.000 2.623 47 V HA 0.682 4.802 4.120 -0.000 0.000 0.304 47 V C -0.667 175.469 176.094 0.070 0.000 1.054 47 V CA -1.188 61.154 62.300 0.070 0.000 0.882 47 V CB 1.385 33.273 31.823 0.107 0.000 1.002 47 V HN 0.257 nan 8.190 nan 0.000 0.424 48 A N 4.958 127.805 122.820 0.046 0.000 2.309 48 A HA 0.700 5.020 4.320 -0.000 0.000 0.290 48 A C 0.124 177.731 177.584 0.038 0.000 1.206 48 A CA -0.333 51.735 52.037 0.052 0.000 0.850 48 A CB 0.244 19.269 19.000 0.042 0.000 1.118 48 A HN 0.865 nan 8.150 nan 0.000 0.523 49 R N 3.698 124.243 120.500 0.076 0.000 2.338 49 R HA 0.575 4.915 4.340 -0.000 0.000 0.317 49 R C -0.890 175.477 176.300 0.110 0.000 0.968 49 R CA -0.391 55.748 56.100 0.065 0.000 0.849 49 R CB 0.637 31.046 30.300 0.180 0.000 1.128 49 R HN 0.781 nan 8.270 nan 0.000 0.448 50 M N 3.409 123.067 119.600 0.097 0.000 2.209 50 M HA 0.196 4.676 4.480 -0.000 0.000 0.355 50 M C -0.139 176.291 176.300 0.216 0.000 1.171 50 M CA -0.655 54.765 55.300 0.201 0.000 1.069 50 M CB 1.416 34.183 32.600 0.279 0.000 1.622 50 M HN 0.453 nan 8.290 nan 0.000 0.459 51 N N 2.332 121.177 118.700 0.242 0.000 2.699 51 N HA 0.221 4.961 4.740 -0.000 0.000 0.232 51 N C -0.606 175.033 175.510 0.216 0.000 1.027 51 N CA -0.263 52.932 53.050 0.242 0.000 0.920 51 N CB 0.191 38.828 38.487 0.249 0.000 1.148 51 N HN 0.480 nan 8.380 nan 0.000 0.509 52 F N 0.987 120.866 119.950 -0.118 0.000 2.816 52 F HA 0.005 4.532 4.527 -0.000 0.000 0.302 52 F C 2.216 177.983 175.800 -0.054 0.000 1.178 52 F CA 0.251 58.151 58.000 -0.167 0.000 1.421 52 F CB -0.282 38.575 39.000 -0.238 0.000 1.114 52 F HN 0.527 nan 8.300 nan 0.000 0.573 53 S N -1.864 113.867 115.700 0.051 0.000 2.522 53 S HA -0.010 4.459 4.470 -0.000 0.000 0.227 53 S C 0.563 174.926 174.600 -0.394 0.000 0.986 53 S CA 0.424 58.529 58.200 -0.158 0.000 0.929 53 S CB -0.389 62.680 63.200 -0.218 0.000 0.769 53 S HN 0.278 nan 8.310 nan 0.000 0.529 54 H N 0.512 119.604 119.070 0.037 0.000 2.797 54 H HA 0.590 5.146 4.556 -0.000 0.000 0.372 54 H C 0.598 175.876 175.328 -0.084 0.000 1.168 54 H CA -0.051 55.976 56.048 -0.035 0.000 1.163 54 H CB 1.305 31.029 29.762 -0.063 0.000 1.778 54 H HN 0.447 nan 8.280 nan 0.000 0.551 55 G N 1.257 109.999 108.800 -0.096 0.000 2.764 55 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.686 55 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.686 55 G C 0.158 174.868 174.900 -0.317 0.000 1.258 55 G CA -0.089 44.787 45.100 -0.374 0.000 0.846 55 G HN 0.849 nan 8.290 nan 0.000 0.596 56 S N 1.221 116.768 115.700 -0.256 0.000 2.596 56 S HA 0.285 4.755 4.470 -0.000 0.000 0.260 56 S C 1.290 175.777 174.600 -0.188 0.000 1.336 56 S CA 0.472 58.595 58.200 -0.129 0.000 0.993 56 S CB 0.751 63.915 63.200 -0.059 0.000 0.923 56 S HN 0.716 nan 8.310 nan 0.000 0.567 57 H N 0.533 119.454 119.070 -0.249 0.000 2.421 57 H HA -0.077 4.479 4.556 -0.000 0.000 0.298 57 H C 2.050 177.274 175.328 -0.172 0.000 1.087 57 H CA 1.935 57.760 56.048 -0.372 0.000 1.330 57 H CB 0.069 29.593 29.762 -0.396 0.000 1.388 57 H HN 0.760 nan 8.280 nan 0.000 0.526 58 E N 0.248 120.475 120.200 0.044 0.000 2.085 58 E HA -0.217 4.133 4.350 -0.000 0.000 0.194 58 E C 1.962 178.566 176.600 0.007 0.000 0.994 58 E CA 0.949 57.382 56.400 0.056 0.000 0.801 58 E CB -0.171 29.554 29.700 0.041 0.000 0.743 58 E HN 0.454 nan 8.360 nan 0.000 0.453 59 Y N 1.165 121.341 120.300 -0.207 0.000 2.128 59 Y HA -0.276 4.274 4.550 -0.000 0.000 0.284 59 Y C 2.317 178.063 175.900 -0.255 0.000 1.154 59 Y CA 1.940 59.867 58.100 -0.287 0.000 1.149 59 Y CB -0.080 38.096 38.460 -0.472 0.000 0.976 59 Y HN 0.162 nan 8.280 nan 0.000 0.505 60 H N -1.028 118.053 119.070 0.018 0.000 2.462 60 H HA -0.102 4.454 4.556 -0.000 0.000 0.292 60 H C 2.044 177.466 175.328 0.155 0.000 1.049 60 H CA 1.411 57.471 56.048 0.019 0.000 1.334 60 H CB -0.255 29.388 29.762 -0.198 0.000 1.404 60 H HN 0.394 nan 8.280 nan 0.000 0.544 61 Q N 0.835 120.806 119.800 0.285 0.000 2.079 61 Q HA -0.089 4.251 4.340 -0.000 0.000 0.200 61 Q C 2.056 178.122 176.000 0.109 0.000 0.974 61 Q CA 1.878 57.866 55.803 0.309 0.000 0.840 61 Q CB -0.179 28.745 28.738 0.310 0.000 0.898 61 Q HN 0.306 nan 8.270 nan 0.000 0.430 62 T N -0.262 114.287 114.554 -0.008 0.000 2.674 62 T HA -0.152 4.198 4.350 -0.000 0.000 0.265 62 T C 1.730 176.377 174.700 -0.088 0.000 1.039 62 T CA 1.865 63.911 62.100 -0.090 0.000 1.150 62 T CB -0.750 67.989 68.868 -0.216 0.000 0.864 62 T HN 0.402 nan 8.240 nan 0.000 0.427 63 T N 2.370 116.854 114.554 -0.116 0.000 2.635 63 T HA -0.080 4.269 4.350 -0.000 0.000 0.267 63 T C 1.991 176.701 174.700 0.016 0.000 1.040 63 T CA 1.294 63.364 62.100 -0.050 0.000 1.156 63 T CB -0.614 68.264 68.868 0.016 0.000 0.863 63 T HN 0.299 nan 8.240 nan 0.000 0.430 64 I N 1.604 122.214 120.570 0.067 0.000 2.145 64 I HA -0.290 3.880 4.170 -0.000 0.000 0.244 64 I C 2.438 178.565 176.117 0.017 0.000 1.075 64 I CA 1.248 62.582 61.300 0.056 0.000 1.332 64 I CB -0.462 37.590 38.000 0.086 0.000 1.033 64 I HN 0.211 nan 8.210 nan 0.000 0.410 65 N N 0.943 119.650 118.700 0.012 0.000 2.058 65 N HA -0.164 4.576 4.740 -0.000 0.000 0.191 65 N C 1.590 177.092 175.510 -0.013 0.000 1.037 65 N CA 1.428 54.476 53.050 -0.004 0.000 0.848 65 N CB -0.784 37.700 38.487 -0.005 0.000 1.021 65 N HN 0.326 nan 8.380 nan 0.000 0.422 66 N N 0.749 119.436 118.700 -0.020 0.000 2.043 66 N HA -0.094 4.646 4.740 -0.000 0.000 0.193 66 N C 1.924 177.427 175.510 -0.013 0.000 1.037 66 N CA 0.652 53.688 53.050 -0.022 0.000 0.851 66 N CB -0.817 37.648 38.487 -0.037 0.000 1.027 66 N HN 0.005 nan 8.380 nan 0.000 0.422 67 V N 1.408 121.318 119.914 -0.006 0.000 2.252 67 V HA -0.275 3.845 4.120 -0.000 0.000 0.249 67 V C 2.325 178.414 176.094 -0.008 0.000 1.056 67 V CA 1.762 64.062 62.300 -0.000 0.000 1.022 67 V CB -0.430 31.398 31.823 0.008 0.000 0.641 67 V HN 0.307 nan 8.190 nan 0.000 0.445 68 R N -0.818 119.674 120.500 -0.013 0.000 2.096 68 R HA -0.187 4.153 4.340 -0.000 0.000 0.235 68 R C 2.457 178.743 176.300 -0.023 0.000 1.127 68 R CA 1.595 57.681 56.100 -0.023 0.000 0.968 68 R CB -0.309 29.974 30.300 -0.027 0.000 0.861 68 R HN 0.584 nan 8.270 nan 0.000 0.440 69 Q N 0.055 119.845 119.800 -0.018 0.000 2.049 69 Q HA -0.103 4.237 4.340 -0.000 0.000 0.198 69 Q C 2.121 178.113 176.000 -0.012 0.000 0.971 69 Q CA 1.436 57.230 55.803 -0.016 0.000 0.833 69 Q CB -0.022 28.708 28.738 -0.014 0.000 0.896 69 Q HN 0.363 nan 8.270 nan 0.000 0.434 70 A N 0.967 123.781 122.820 -0.009 0.000 1.883 70 A HA -0.202 4.118 4.320 -0.000 0.000 0.217 70 A C 2.274 179.856 177.584 -0.003 0.000 1.186 70 A CA 1.968 54.003 52.037 -0.004 0.000 0.624 70 A CB -1.008 17.992 19.000 0.001 0.000 0.822 70 A HN 0.520 nan 8.150 nan 0.000 0.444 71 A N -0.253 122.563 122.820 -0.007 0.000 1.883 71 A HA 0.108 4.428 4.320 -0.000 0.000 0.217 71 A C 2.539 180.114 177.584 -0.016 0.000 1.186 71 A CA 2.407 54.438 52.037 -0.010 0.000 0.624 71 A CB -1.113 17.876 19.000 -0.018 0.000 0.822 71 A HN 1.147 nan 8.150 nan 0.000 0.444 72 A N -0.429 122.378 122.820 -0.023 0.000 1.902 72 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 72 A C 1.929 179.504 177.584 -0.015 0.000 1.181 72 A CA 1.660 53.681 52.037 -0.027 0.000 0.623 72 A CB -0.566 18.416 19.000 -0.031 0.000 0.818 72 A HN 0.638 nan 8.150 nan 0.000 0.443 73 E N -0.491 119.703 120.200 -0.010 0.000 2.110 73 E HA -0.130 4.220 4.350 -0.000 0.000 0.193 73 E C 1.564 178.164 176.600 0.001 0.000 0.988 73 E CA 1.083 57.480 56.400 -0.004 0.000 0.804 73 E CB -0.200 29.499 29.700 -0.003 0.000 0.745 73 E HN 0.609 nan 8.360 nan 0.000 0.458 74 L N -0.564 120.660 121.223 0.003 0.000 2.591 74 L HA 0.140 4.480 4.340 -0.000 0.000 0.228 74 L C 1.043 177.920 176.870 0.012 0.000 1.133 74 L CA 0.188 55.034 54.840 0.009 0.000 0.880 74 L CB 0.247 42.314 42.059 0.013 0.000 1.033 74 L HN 0.230 nan 8.230 nan 0.000 0.450 75 G N 1.252 110.055 108.800 0.004 0.000 2.272 75 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.280 75 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.280 75 G C -0.039 174.867 174.900 0.010 0.000 1.067 75 G CA 0.371 45.474 45.100 0.005 0.000 0.902 75 G HN 0.310 nan 8.290 nan 0.000 0.500 76 V N -4.006 115.908 119.914 -0.001 0.000 3.130 76 V HA 0.867 4.987 4.120 -0.000 0.000 0.310 76 V C -0.477 175.605 176.094 -0.021 0.000 1.158 76 V CA -1.867 60.436 62.300 0.004 0.000 1.029 76 V CB 2.317 34.154 31.823 0.023 0.000 1.057 76 V HN 0.119 nan 8.190 nan 0.000 0.436 77 N N 2.511 121.199 118.700 -0.021 0.000 2.476 77 N HA 0.576 5.316 4.740 -0.000 0.000 0.257 77 N C -1.252 174.250 175.510 -0.014 0.000 0.970 77 N CA -0.281 52.747 53.050 -0.038 0.000 0.938 77 N CB 1.489 39.937 38.487 -0.065 0.000 1.144 77 N HN 0.629 nan 8.380 nan 0.000 0.500 78 I N 1.488 122.050 120.570 -0.014 0.000 2.378 78 I HA 0.376 4.546 4.170 -0.000 0.000 0.291 78 I C 0.647 176.760 176.117 -0.006 0.000 0.992 78 I CA -1.180 60.121 61.300 0.002 0.000 1.154 78 I CB 1.050 39.055 38.000 0.009 0.000 1.315 78 I HN 0.307 nan 8.210 nan 0.000 0.448 79 A N 7.652 130.474 122.820 0.002 0.000 2.401 79 A HA 0.625 4.945 4.320 -0.000 0.000 0.259 79 A C -0.064 177.506 177.584 -0.023 0.000 1.103 79 A CA -0.225 51.805 52.037 -0.011 0.000 0.789 79 A CB 0.210 19.211 19.000 0.002 0.000 1.035 79 A HN 0.652 nan 8.150 nan 0.000 0.491 80 I N 1.631 122.173 120.570 -0.046 0.000 2.377 80 I HA 0.521 4.691 4.170 -0.000 0.000 0.293 80 I C 0.447 176.483 176.117 -0.135 0.000 0.987 80 I CA -0.168 61.096 61.300 -0.059 0.000 1.185 80 I CB 1.824 39.803 38.000 -0.035 0.000 1.341 80 I HN 0.673 nan 8.210 nan 0.000 0.455 81 A N 7.314 130.012 122.820 -0.204 0.000 2.319 81 A HA 0.600 4.920 4.320 -0.000 0.000 0.310 81 A C -0.932 176.406 177.584 -0.409 0.000 1.152 81 A CA -0.500 51.268 52.037 -0.447 0.000 0.783 81 A CB 1.180 19.683 19.000 -0.829 0.000 1.184 81 A HN 0.770 nan 8.150 nan 0.000 0.474 82 L N 3.081 124.053 121.223 -0.417 0.000 2.283 82 L HA 0.290 4.630 4.340 -0.000 0.000 0.287 82 L C -0.546 176.112 176.870 -0.354 0.000 1.073 82 L CA -0.382 54.201 54.840 -0.429 0.000 0.822 82 L CB 0.514 42.240 42.059 -0.555 0.000 1.186 82 L HN 0.715 nan 8.230 nan 0.000 0.436 83 D N 4.252 124.549 120.400 -0.172 0.000 2.396 83 D HA 0.058 4.698 4.640 -0.000 0.000 0.225 83 D C -0.036 176.290 176.300 0.044 0.000 1.121 83 D CA -0.190 53.840 54.000 0.050 0.000 0.853 83 D CB 1.253 42.192 40.800 0.231 0.000 1.043 83 D HN 0.477 nan 8.370 nan 0.000 0.500 84 T N 2.468 117.033 114.554 0.018 0.000 2.855 84 T HA -0.011 4.339 4.350 -0.000 0.000 0.314 84 T C 1.329 176.077 174.700 0.080 0.000 1.077 84 T CA 0.066 62.178 62.100 0.020 0.000 1.095 84 T CB 1.149 70.024 68.868 0.013 0.000 0.987 84 T HN 0.491 nan 8.240 nan 0.000 0.546 85 K N 2.022 122.470 120.400 0.080 0.000 2.031 85 K HA 0.213 4.533 4.320 -0.000 0.000 0.205 85 K C 0.979 177.603 176.600 0.040 0.000 1.049 85 K CA 1.101 57.420 56.287 0.053 0.000 0.939 85 K CB -0.800 31.723 32.500 0.039 0.000 0.717 85 K HN 1.084 nan 8.250 nan 0.000 0.438 86 G N -0.039 108.788 108.800 0.046 0.000 2.730 86 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.686 86 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.686 86 G C -2.297 172.599 174.900 -0.007 0.000 1.343 86 G CA -0.294 44.834 45.100 0.045 0.000 0.826 86 G HN 0.191 nan 8.290 nan 0.000 0.582 87 P HA 0.136 nan 4.420 nan 0.000 0.255 87 P C 0.547 177.711 177.300 -0.227 0.000 1.248 87 P CA 0.380 63.450 63.100 -0.051 0.000 0.807 87 P CB 0.236 31.957 31.700 0.036 0.000 1.150 88 E N 1.133 121.031 120.200 -0.503 0.000 2.502 88 E HA 0.011 4.361 4.350 -0.000 0.000 0.261 88 E C -0.134 176.241 176.600 -0.374 0.000 0.974 88 E CA -0.302 55.594 56.400 -0.839 0.000 0.936 88 E CB 0.100 29.179 29.700 -1.035 0.000 0.926 88 E HN 0.106 nan 8.360 nan 0.000 0.459 89 I N 4.887 125.270 120.570 -0.313 0.000 2.683 89 I HA 0.035 4.205 4.170 -0.000 0.000 0.286 89 I C 0.873 176.936 176.117 -0.089 0.000 1.175 89 I CA 0.644 61.855 61.300 -0.147 0.000 1.429 89 I CB 0.320 38.229 38.000 -0.153 0.000 1.371 89 I HN 0.453 nan 8.210 nan 0.000 0.569 90 R N 3.176 123.657 120.500 -0.032 0.000 2.854 90 R HA 0.499 4.839 4.340 -0.000 0.000 0.271 90 R C -0.207 176.119 176.300 0.043 0.000 0.994 90 R CA -0.834 55.274 56.100 0.013 0.000 0.945 90 R CB 2.080 32.390 30.300 0.017 0.000 1.194 90 R HN 0.731 nan 8.270 nan 0.000 0.476 91 T N -1.402 113.211 114.554 0.099 0.000 2.754 91 T HA 0.351 4.701 4.350 -0.000 0.000 0.286 91 T C 0.899 175.668 174.700 0.116 0.000 0.997 91 T CA -0.453 61.735 62.100 0.147 0.000 0.982 91 T CB 1.065 70.058 68.868 0.208 0.000 1.027 91 T HN 0.603 nan 8.240 nan 0.000 0.529 92 G N 0.168 109.055 108.800 0.145 0.000 2.489 92 G HA2 0.487 4.447 3.960 -0.000 0.000 0.271 92 G HA3 0.487 4.447 3.960 -0.000 0.000 0.271 92 G C -0.191 174.567 174.900 -0.237 0.000 1.427 92 G CA -0.797 44.371 45.100 0.113 0.000 1.057 92 G HN 1.039 nan 8.290 nan 0.000 0.532 93 Q N -1.332 118.318 119.800 -0.250 0.000 2.204 93 Q HA 0.615 4.955 4.340 -0.000 0.000 0.254 93 Q C -1.547 174.167 176.000 -0.477 0.000 0.981 93 Q CA -0.618 55.013 55.803 -0.288 0.000 0.897 93 Q CB 1.839 30.547 28.738 -0.049 0.000 1.273 93 Q HN 0.349 nan 8.270 nan 0.000 0.464 94 F N -0.679 119.297 119.950 0.043 0.000 2.538 94 F HA 0.299 4.826 4.527 -0.000 0.000 0.325 94 F C 1.213 177.033 175.800 0.033 0.000 1.066 94 F CA -1.073 56.949 58.000 0.038 0.000 0.946 94 F CB 1.444 40.435 39.000 -0.014 0.000 1.199 94 F HN 0.314 nan 8.300 nan 0.000 0.473 95 V N 1.728 121.777 119.914 0.225 0.000 2.255 95 V HA -0.197 3.923 4.120 -0.000 0.000 0.247 95 V C 1.782 177.939 176.094 0.106 0.000 1.051 95 V CA 2.226 64.604 62.300 0.130 0.000 1.018 95 V CB -1.064 30.827 31.823 0.113 0.000 0.641 95 V HN 0.972 nan 8.190 nan 0.000 0.445 96 G N -0.723 108.142 108.800 0.107 0.000 2.467 96 G HA2 0.243 4.203 3.960 -0.000 0.000 0.243 96 G HA3 0.243 4.203 3.960 -0.000 0.000 0.243 96 G C 1.189 176.123 174.900 0.057 0.000 1.521 96 G CA 0.291 45.425 45.100 0.058 0.000 1.055 96 G HN 0.505 nan 8.290 nan 0.000 0.553 97 G N -1.066 107.748 108.800 0.023 0.000 2.712 97 G HA2 0.362 4.322 3.960 -0.000 0.000 0.212 97 G HA3 0.362 4.322 3.960 -0.000 0.000 0.212 97 G C 0.213 175.123 174.900 0.017 0.000 1.142 97 G CA 1.280 46.393 45.100 0.021 0.000 0.789 97 G HN 0.864 nan 8.290 nan 0.000 0.535 98 D N -2.208 118.177 120.400 -0.024 0.000 3.010 98 D HA 0.540 5.180 4.640 -0.000 0.000 0.353 98 D C -0.818 175.253 176.300 -0.381 0.000 1.415 98 D CA -0.255 53.630 54.000 -0.193 0.000 0.864 98 D CB 0.552 41.227 40.800 -0.207 0.000 1.445 98 D HN 0.281 nan 8.370 nan 0.000 0.516 99 A N -0.353 122.037 122.820 -0.716 0.000 2.393 99 A HA 0.646 4.965 4.320 -0.000 0.000 0.306 99 A C -1.264 176.074 177.584 -0.409 0.000 1.050 99 A CA -0.789 50.879 52.037 -0.615 0.000 0.724 99 A CB 1.802 20.173 19.000 -1.049 0.000 1.248 99 A HN 0.558 nan 8.150 nan 0.000 0.424 100 V N 3.322 123.095 119.914 -0.234 0.000 2.318 100 V HA 0.330 4.450 4.120 -0.000 0.000 0.271 100 V C -0.258 175.767 176.094 -0.114 0.000 1.030 100 V CA -0.202 61.997 62.300 -0.169 0.000 0.844 100 V CB 0.590 32.346 31.823 -0.112 0.000 1.015 100 V HN 0.888 nan 8.190 nan 0.000 0.460 101 M N 4.572 124.108 119.600 -0.108 0.000 2.216 101 M HA 0.449 4.929 4.480 -0.000 0.000 0.356 101 M C 0.008 176.300 176.300 -0.014 0.000 1.205 101 M CA 0.061 55.337 55.300 -0.039 0.000 1.122 101 M CB 0.820 33.414 32.600 -0.011 0.000 1.571 101 M HN 0.472 nan 8.290 nan 0.000 0.464 102 E N 1.814 122.013 120.200 -0.001 0.000 2.199 102 E HA 0.292 4.642 4.350 -0.000 0.000 0.269 102 E C 0.310 176.914 176.600 0.008 0.000 0.899 102 E CA -0.401 56.000 56.400 0.002 0.000 0.772 102 E CB 1.728 31.427 29.700 -0.002 0.000 1.155 102 E HN 0.591 nan 8.360 nan 0.000 0.408 103 R N 2.019 122.526 120.500 0.010 0.000 2.133 103 R HA -0.168 4.172 4.340 -0.000 0.000 0.247 103 R C 1.685 177.988 176.300 0.006 0.000 1.151 103 R CA 2.137 58.245 56.100 0.012 0.000 0.971 103 R CB -0.239 30.068 30.300 0.012 0.000 0.866 103 R HN 0.610 nan 8.270 nan 0.000 0.447 104 G N -0.552 108.249 108.800 0.001 0.000 2.551 104 G HA2 0.120 4.080 3.960 -0.000 0.000 0.216 104 G HA3 0.120 4.080 3.960 -0.000 0.000 0.216 104 G C 0.256 175.148 174.900 -0.012 0.000 1.137 104 G CA 0.298 45.396 45.100 -0.004 0.000 0.798 104 G HN 0.477 nan 8.290 nan 0.000 0.536 105 A N 0.110 122.924 122.820 -0.011 0.000 2.466 105 A HA 0.520 4.840 4.320 -0.000 0.000 0.238 105 A C 0.623 178.179 177.584 -0.046 0.000 1.074 105 A CA 0.680 52.706 52.037 -0.018 0.000 0.774 105 A CB 0.228 19.225 19.000 -0.004 0.000 1.015 105 A HN 0.364 nan 8.150 nan 0.000 0.498 106 T N -0.397 114.114 114.554 -0.071 0.000 2.823 106 T HA 0.566 4.916 4.350 -0.000 0.000 0.279 106 T C -0.315 174.253 174.700 -0.220 0.000 0.998 106 T CA -0.004 62.001 62.100 -0.158 0.000 0.994 106 T CB 0.070 68.832 68.868 -0.177 0.000 0.960 106 T HN 1.772 nan 8.240 nan 0.000 0.448 107 C N 3.293 122.383 119.300 -0.349 0.000 3.291 107 C HA 0.864 5.324 4.460 -0.000 0.000 0.316 107 C C -1.783 172.860 174.990 -0.577 0.000 1.391 107 C CA -1.215 57.609 59.018 -0.323 0.000 1.394 107 C CB 0.174 27.901 27.740 -0.022 0.000 1.744 107 C HN 0.900 nan 8.230 nan 0.000 0.461 108 Y N 0.076 120.313 120.300 -0.105 0.000 2.446 108 Y HA 0.728 5.278 4.550 -0.000 0.000 0.345 108 Y C 0.014 175.695 175.900 -0.364 0.000 0.984 108 Y CA -0.905 57.077 58.100 -0.197 0.000 1.058 108 Y CB 2.117 40.475 38.460 -0.171 0.000 1.220 108 Y HN 0.637 nan 8.280 nan 0.000 0.455 109 V N 2.550 122.326 119.914 -0.231 0.000 2.531 109 V HA 0.565 4.685 4.120 -0.000 0.000 0.301 109 V C -0.635 175.312 176.094 -0.246 0.000 1.034 109 V CA -0.694 61.353 62.300 -0.422 0.000 0.865 109 V CB 1.995 33.564 31.823 -0.423 0.000 0.995 109 V HN 0.894 nan 8.190 nan 0.000 0.424 110 T N 0.856 115.274 114.554 -0.226 0.000 2.887 110 T HA 0.396 4.746 4.350 -0.000 0.000 0.288 110 T C 0.666 175.352 174.700 -0.024 0.000 1.021 110 T CA -0.212 61.827 62.100 -0.102 0.000 1.000 110 T CB 1.683 70.477 68.868 -0.123 0.000 1.034 110 T HN 0.781 nan 8.240 nan 0.000 0.467 111 T N -2.398 112.172 114.554 0.027 0.000 3.145 111 T HA 0.172 4.522 4.350 -0.000 0.000 0.255 111 T C 0.052 174.914 174.700 0.270 0.000 1.039 111 T CA -0.395 61.738 62.100 0.054 0.000 0.928 111 T CB -0.180 68.683 68.868 -0.008 0.000 1.029 111 T HN 0.505 nan 8.240 nan 0.000 0.554 112 D N 2.319 122.915 120.400 0.328 0.000 2.347 112 D HA 0.306 4.946 4.640 -0.000 0.000 0.235 112 D C -1.682 174.791 176.300 0.288 0.000 1.149 112 D CA -2.631 51.548 54.000 0.299 0.000 0.850 112 D CB 1.881 42.860 40.800 0.298 0.000 1.061 112 D HN -0.038 nan 8.370 nan 0.000 0.487 113 P HA -0.148 nan 4.420 nan 0.000 0.220 113 P C 0.962 178.094 177.300 -0.280 0.000 1.144 113 P CA 1.197 64.150 63.100 -0.245 0.000 0.800 113 P CB 0.159 31.800 31.700 -0.099 0.000 0.772 114 A N -1.590 121.156 122.820 -0.123 0.000 2.024 114 A HA -0.164 4.155 4.320 -0.000 0.000 0.220 114 A C 1.545 178.889 177.584 -0.400 0.000 1.164 114 A CA 1.426 53.309 52.037 -0.256 0.000 0.643 114 A CB -1.577 17.248 19.000 -0.291 0.000 0.806 114 A HN 0.185 nan 8.150 nan 0.000 0.451 115 F N -1.098 118.767 119.950 -0.141 0.000 2.727 115 F HA 0.359 4.886 4.527 -0.000 0.000 0.302 115 F C 2.234 177.950 175.800 -0.140 0.000 1.097 115 F CA 0.131 58.088 58.000 -0.071 0.000 1.330 115 F CB -0.008 39.021 39.000 0.049 0.000 1.084 115 F HN 0.221 nan 8.300 nan 0.000 0.578 116 A N 0.492 123.126 122.820 -0.310 0.000 1.933 116 A HA -0.196 4.124 4.320 -0.000 0.000 0.218 116 A C 1.822 179.315 177.584 -0.152 0.000 1.175 116 A CA 2.079 53.867 52.037 -0.415 0.000 0.628 116 A CB -0.551 17.989 19.000 -0.767 0.000 0.814 116 A HN 0.398 nan 8.150 nan 0.000 0.444 117 D N -1.800 118.517 120.400 -0.138 0.000 2.368 117 D HA 0.116 4.756 4.640 -0.000 0.000 0.218 117 D C 0.831 177.103 176.300 -0.047 0.000 1.112 117 D CA 0.236 54.185 54.000 -0.086 0.000 0.834 117 D CB 0.054 40.800 40.800 -0.090 0.000 0.953 117 D HN 0.407 nan 8.370 nan 0.000 0.505 118 K N -0.014 120.376 120.400 -0.017 0.000 2.438 118 K HA 0.263 4.583 4.320 -0.000 0.000 0.206 118 K C 0.987 177.671 176.600 0.139 0.000 1.081 118 K CA -0.183 56.128 56.287 0.040 0.000 1.053 118 K CB 1.586 34.080 32.500 -0.011 0.000 0.908 118 K HN 0.093 nan 8.250 nan 0.000 0.556 119 G N 0.868 109.732 108.800 0.107 0.000 2.464 119 G HA2 0.035 3.995 3.960 -0.000 0.000 0.231 119 G HA3 0.035 3.995 3.960 -0.000 0.000 0.231 119 G C -0.190 174.923 174.900 0.356 0.000 1.267 119 G CA 0.501 45.703 45.100 0.170 0.000 0.863 119 G HN 0.062 nan 8.290 nan 0.000 0.559 120 T N -0.430 114.416 114.554 0.488 0.000 2.816 120 T HA 0.360 4.710 4.350 -0.000 0.000 0.299 120 T C 1.432 176.383 174.700 0.418 0.000 1.230 120 T CA -0.116 62.234 62.100 0.417 0.000 1.007 120 T CB 1.322 70.351 68.868 0.268 0.000 1.289 120 T HN 0.669 nan 8.240 nan 0.000 0.508 121 K N 0.792 121.324 120.400 0.220 0.000 2.281 121 K HA -0.098 4.222 4.320 -0.000 0.000 0.203 121 K C 0.484 177.225 176.600 0.236 0.000 1.046 121 K CA 1.905 58.282 56.287 0.150 0.000 0.938 121 K CB 0.008 32.531 32.500 0.039 0.000 0.737 121 K HN 0.447 nan 8.250 nan 0.000 0.458 122 D N 0.487 121.034 120.400 0.245 0.000 2.323 122 D HA 0.032 4.672 4.640 -0.000 0.000 0.218 122 D C 0.068 176.527 176.300 0.265 0.000 0.973 122 D CA 0.677 54.809 54.000 0.221 0.000 0.890 122 D CB 0.513 41.422 40.800 0.182 0.000 1.011 122 D HN 0.164 nan 8.370 nan 0.000 0.499 123 K N 0.282 120.850 120.400 0.280 0.000 2.565 123 K HA 0.336 4.656 4.320 -0.000 0.000 0.249 123 K C -1.559 175.209 176.600 0.280 0.000 0.958 123 K CA -0.513 55.874 56.287 0.167 0.000 0.806 123 K CB 1.358 33.858 32.500 0.000 0.000 1.194 123 K HN -0.114 nan 8.250 nan 0.000 0.434 124 F N 1.182 121.201 119.950 0.114 0.000 2.726 124 F HA 0.566 5.092 4.527 -0.000 0.000 0.324 124 F C -1.731 174.139 175.800 0.118 0.000 1.140 124 F CA -1.275 56.802 58.000 0.128 0.000 0.964 124 F CB 0.663 39.770 39.000 0.179 0.000 1.399 124 F HN 0.388 nan 8.300 nan 0.000 0.491 125 Y N 1.603 122.020 120.300 0.195 0.000 2.420 125 Y HA 0.786 5.336 4.550 -0.000 0.000 0.334 125 Y C -1.341 174.636 175.900 0.129 0.000 1.094 125 Y CA -1.516 56.635 58.100 0.086 0.000 1.126 125 Y CB 1.393 39.919 38.460 0.109 0.000 1.217 125 Y HN 0.627 nan 8.280 nan 0.000 0.462 126 I N 5.359 125.493 120.570 -0.727 0.000 2.498 126 I HA 0.184 4.354 4.170 -0.000 0.000 0.290 126 I C -0.310 175.237 176.117 -0.949 0.000 1.032 126 I CA -0.731 60.226 61.300 -0.570 0.000 1.073 126 I CB 2.044 39.918 38.000 -0.210 0.000 1.251 126 I HN 0.744 nan 8.210 nan 0.000 0.426 127 D N 4.931 125.015 120.400 -0.525 0.000 2.336 127 D HA -0.164 4.476 4.640 -0.000 0.000 0.229 127 D C 0.132 176.426 176.300 -0.010 0.000 1.061 127 D CA 0.160 54.026 54.000 -0.224 0.000 0.875 127 D CB -0.108 40.743 40.800 0.085 0.000 0.904 127 D HN 0.451 nan 8.370 nan 0.000 0.525 128 Y N 1.450 121.653 120.300 -0.161 0.000 2.595 128 Y HA 0.156 4.706 4.550 -0.000 0.000 0.347 128 Y C 1.217 177.083 175.900 -0.057 0.000 1.025 128 Y CA -0.777 57.277 58.100 -0.076 0.000 1.295 128 Y CB 0.822 39.246 38.460 -0.060 0.000 1.147 128 Y HN -0.237 nan 8.280 nan 0.000 0.515 129 Q N 3.178 122.804 119.800 -0.291 0.000 2.557 129 Q HA -0.082 4.258 4.340 -0.000 0.000 0.217 129 Q C 0.467 176.280 176.000 -0.311 0.000 0.978 129 Q CA 1.062 56.736 55.803 -0.215 0.000 0.950 129 Q CB -0.244 28.426 28.738 -0.113 0.000 0.991 129 Q HN 0.747 nan 8.270 nan 0.000 0.533 130 N N -1.162 117.165 118.700 -0.621 0.000 2.194 130 N HA 0.013 4.753 4.740 -0.000 0.000 0.231 130 N C 0.737 176.121 175.510 -0.211 0.000 1.247 130 N CA -0.002 52.769 53.050 -0.465 0.000 0.884 130 N CB 0.396 38.539 38.487 -0.573 0.000 1.146 130 N HN 0.186 nan 8.380 nan 0.000 0.516 131 L N 1.149 122.337 121.223 -0.059 0.000 2.042 131 L HA -0.085 4.255 4.340 -0.000 0.000 0.210 131 L C 1.916 178.862 176.870 0.127 0.000 1.076 131 L CA 1.937 56.902 54.840 0.208 0.000 0.749 131 L CB -0.666 41.494 42.059 0.168 0.000 0.893 131 L HN 0.018 nan 8.230 nan 0.000 0.432 132 S N -0.484 115.265 115.700 0.082 0.000 2.383 132 S HA -0.213 4.257 4.470 -0.000 0.000 0.229 132 S C 1.890 176.592 174.600 0.169 0.000 1.030 132 S CA 1.622 59.913 58.200 0.152 0.000 1.002 132 S CB -0.327 62.943 63.200 0.117 0.000 0.829 132 S HN 0.497 nan 8.310 nan 0.000 0.467 133 K N 0.372 120.822 120.400 0.083 0.000 2.296 133 K HA 0.073 4.393 4.320 -0.000 0.000 0.200 133 K C 1.750 178.406 176.600 0.094 0.000 1.048 133 K CA 0.705 57.029 56.287 0.062 0.000 0.966 133 K CB 0.017 32.529 32.500 0.021 0.000 0.754 133 K HN 0.207 nan 8.250 nan 0.000 0.466 134 V N 0.326 120.317 119.914 0.129 0.000 2.575 134 V HA 0.003 4.122 4.120 -0.000 0.000 0.242 134 V C 0.999 177.156 176.094 0.105 0.000 1.045 134 V CA 0.322 62.701 62.300 0.133 0.000 1.065 134 V CB 0.646 32.588 31.823 0.199 0.000 0.717 134 V HN 0.017 nan 8.190 nan 0.000 0.467 135 V N 1.015 120.990 119.914 0.100 0.000 2.732 135 V HA 0.511 4.631 4.120 -0.000 0.000 0.297 135 V C -0.011 176.107 176.094 0.040 0.000 1.060 135 V CA -0.288 62.042 62.300 0.049 0.000 1.038 135 V CB 1.622 33.452 31.823 0.012 0.000 1.003 135 V HN 0.474 nan 8.190 nan 0.000 0.481 136 R N 5.177 125.678 120.500 0.001 0.000 2.740 136 R HA 0.603 4.943 4.340 -0.000 0.000 0.282 136 R C -2.777 173.479 176.300 -0.073 0.000 0.969 136 R CA -2.267 53.832 56.100 -0.001 0.000 0.918 136 R CB 2.041 32.353 30.300 0.019 0.000 1.175 136 R HN 0.445 nan 8.270 nan 0.000 0.464 137 P HA 0.074 nan 4.420 nan 0.000 0.261 137 P C 0.138 177.363 177.300 -0.124 0.000 1.173 137 P CA 1.302 64.330 63.100 -0.121 0.000 0.760 137 P CB 0.694 32.346 31.700 -0.079 0.000 0.783 138 G N 2.247 110.935 108.800 -0.187 0.000 2.259 138 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.217 138 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.217 138 G C 0.340 175.025 174.900 -0.359 0.000 1.001 138 G CA -0.374 44.583 45.100 -0.239 0.000 0.627 138 G HN 0.574 nan 8.290 nan 0.000 0.501 139 N N -0.129 118.415 118.700 -0.260 0.000 2.453 139 N HA 0.459 5.199 4.740 -0.000 0.000 0.253 139 N C -0.622 174.675 175.510 -0.356 0.000 1.252 139 N CA 0.055 52.975 53.050 -0.217 0.000 0.917 139 N CB 0.265 38.698 38.487 -0.089 0.000 1.117 139 N HN 0.292 nan 8.380 nan 0.000 0.442 140 Y N 1.448 121.668 120.300 -0.134 0.000 2.341 140 Y HA 0.353 4.903 4.550 -0.000 0.000 0.340 140 Y C 0.099 175.761 175.900 -0.397 0.000 0.997 140 Y CA -0.572 57.327 58.100 -0.336 0.000 1.149 140 Y CB 0.694 38.845 38.460 -0.515 0.000 1.171 140 Y HN 0.281 nan 8.280 nan 0.000 0.494 141 I N 4.828 125.274 120.570 -0.208 0.000 2.315 141 I HA 0.167 4.337 4.170 -0.000 0.000 0.291 141 I C -0.990 175.014 176.117 -0.188 0.000 1.006 141 I CA -0.559 60.671 61.300 -0.116 0.000 1.265 141 I CB 0.421 38.400 38.000 -0.034 0.000 1.387 141 I HN 0.486 nan 8.210 nan 0.000 0.475 142 Y N 6.956 127.310 120.300 0.090 0.000 2.335 142 Y HA 0.579 5.129 4.550 -0.000 0.000 0.339 142 Y C 0.127 176.073 175.900 0.078 0.000 0.987 142 Y CA -0.554 57.590 58.100 0.072 0.000 1.140 142 Y CB 0.893 39.380 38.460 0.045 0.000 1.173 142 Y HN 0.328 nan 8.280 nan 0.000 0.486 143 I N 2.831 123.525 120.570 0.207 0.000 2.569 143 I HA 0.245 4.415 4.170 -0.000 0.000 0.296 143 I C -0.704 175.499 176.117 0.144 0.000 1.028 143 I CA -1.003 60.401 61.300 0.173 0.000 1.082 143 I CB 1.878 39.990 38.000 0.187 0.000 1.264 143 I HN 0.596 nan 8.210 nan 0.000 0.429 144 D N 4.792 125.270 120.400 0.130 0.000 3.187 144 D HA -0.224 4.416 4.640 -0.000 0.000 0.244 144 D C 0.228 176.578 176.300 0.083 0.000 1.114 144 D CA 1.094 55.162 54.000 0.115 0.000 0.920 144 D CB -0.739 40.146 40.800 0.142 0.000 0.970 144 D HN 0.838 nan 8.370 nan 0.000 0.418 145 D N 0.582 121.031 120.400 0.082 0.000 2.911 145 D HA -0.172 4.468 4.640 -0.000 0.000 0.227 145 D C 1.024 177.346 176.300 0.036 0.000 1.164 145 D CA 2.779 56.813 54.000 0.056 0.000 0.782 145 D CB -1.291 39.533 40.800 0.040 0.000 1.094 145 D HN 1.401 nan 8.370 nan 0.000 0.425 146 G N -0.865 107.986 108.800 0.084 0.000 2.258 146 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.274 146 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.274 146 G C 1.211 176.154 174.900 0.071 0.000 1.021 146 G CA 0.580 45.758 45.100 0.130 0.000 0.798 146 G HN 0.603 nan 8.290 nan 0.000 0.507 147 I N -1.102 119.455 120.570 -0.021 0.000 2.339 147 I HA 0.148 4.318 4.170 -0.000 0.000 0.245 147 I C 1.477 177.499 176.117 -0.157 0.000 1.096 147 I CA 0.308 61.500 61.300 -0.180 0.000 1.408 147 I CB -0.066 37.676 38.000 -0.430 0.000 1.092 147 I HN 0.288 nan 8.210 nan 0.000 0.423 148 L N 2.134 123.330 121.223 -0.047 0.000 2.305 148 L HA 0.460 4.800 4.340 -0.000 0.000 0.281 148 L C -0.608 176.305 176.870 0.071 0.000 1.085 148 L CA 0.140 55.012 54.840 0.053 0.000 0.813 148 L CB 0.543 42.684 42.059 0.138 0.000 1.157 148 L HN -0.026 nan 8.230 nan 0.000 0.436 149 I N 6.216 126.809 120.570 0.040 0.000 2.436 149 I HA 0.388 4.558 4.170 -0.000 0.000 0.289 149 I C -0.698 175.419 176.117 -0.001 0.000 1.010 149 I CA -0.508 60.776 61.300 -0.027 0.000 1.098 149 I CB 1.627 39.588 38.000 -0.064 0.000 1.266 149 I HN 0.534 nan 8.210 nan 0.000 0.434 150 L N 5.460 126.664 121.223 -0.031 0.000 2.322 150 L HA 0.585 4.925 4.340 -0.000 0.000 0.269 150 L C -0.435 176.396 176.870 -0.065 0.000 1.012 150 L CA -0.672 54.155 54.840 -0.022 0.000 0.815 150 L CB 1.859 43.909 42.059 -0.015 0.000 1.295 150 L HN 0.563 nan 8.230 nan 0.000 0.438 151 Q N 0.894 120.617 119.800 -0.128 0.000 2.340 151 Q HA 0.462 4.802 4.340 -0.000 0.000 0.268 151 Q C -1.470 174.383 176.000 -0.245 0.000 1.031 151 Q CA -0.696 54.926 55.803 -0.301 0.000 0.804 151 Q CB 2.565 31.075 28.738 -0.379 0.000 1.286 151 Q HN 0.440 nan 8.270 nan 0.000 0.448 152 V N 4.567 124.323 119.914 -0.264 0.000 2.555 152 V HA 0.002 4.122 4.120 -0.000 0.000 0.286 152 V C 0.571 176.541 176.094 -0.206 0.000 1.044 152 V CA 0.130 62.298 62.300 -0.221 0.000 1.026 152 V CB 1.363 33.057 31.823 -0.214 0.000 0.981 152 V HN 0.884 nan 8.190 nan 0.000 0.480 153 Q N 2.621 122.312 119.800 -0.182 0.000 2.388 153 Q HA 0.216 4.556 4.340 -0.000 0.000 0.204 153 Q C 0.756 176.684 176.000 -0.119 0.000 0.946 153 Q CA 0.942 56.661 55.803 -0.141 0.000 0.880 153 Q CB 0.686 29.350 28.738 -0.123 0.000 0.997 153 Q HN 0.923 nan 8.270 nan 0.000 0.552 154 S N -0.839 114.783 115.700 -0.129 0.000 2.636 154 S HA 0.364 4.834 4.470 -0.000 0.000 0.268 154 S C -1.016 173.492 174.600 -0.154 0.000 1.159 154 S CA -0.957 57.180 58.200 -0.105 0.000 0.815 154 S CB 1.050 64.245 63.200 -0.008 0.000 1.130 154 S HN 0.195 nan 8.310 nan 0.000 0.471 155 H N 1.110 120.178 119.070 -0.003 0.000 2.742 155 H HA 0.338 4.894 4.556 -0.000 0.000 0.302 155 H C 0.877 176.212 175.328 0.012 0.000 1.069 155 H CA 0.053 56.101 56.048 0.001 0.000 1.446 155 H CB 1.359 31.117 29.762 -0.007 0.000 1.462 155 H HN 0.863 nan 8.280 nan 0.000 0.499 156 E N 2.134 122.401 120.200 0.112 0.000 2.122 156 E HA -0.089 4.260 4.350 -0.000 0.000 0.190 156 E C -0.434 176.187 176.600 0.035 0.000 0.977 156 E CA 0.771 57.208 56.400 0.062 0.000 0.820 156 E CB 0.612 30.321 29.700 0.016 0.000 0.770 156 E HN 0.812 nan 8.360 nan 0.000 0.462 157 D N -2.648 117.782 120.400 0.050 0.000 2.779 157 D HA 0.032 4.672 4.640 -0.000 0.000 0.331 157 D C -0.354 175.973 176.300 0.044 0.000 1.331 157 D CA -0.651 53.366 54.000 0.029 0.000 0.866 157 D CB -0.019 40.780 40.800 -0.002 0.000 1.409 157 D HN -0.166 nan 8.370 nan 0.000 0.486 158 E N -0.835 119.370 120.200 0.010 0.000 2.527 158 E HA -0.085 4.265 4.350 -0.000 0.000 0.204 158 E C 0.492 177.105 176.600 0.021 0.000 1.132 158 E CA 0.769 57.169 56.400 0.001 0.000 0.905 158 E CB 0.045 29.733 29.700 -0.020 0.000 0.875 158 E HN 0.318 nan 8.360 nan 0.000 0.548 159 Q N -1.138 118.680 119.800 0.029 0.000 2.123 159 Q HA 0.078 4.418 4.340 -0.000 0.000 0.244 159 Q C -0.361 175.641 176.000 0.004 0.000 0.769 159 Q CA 0.309 56.126 55.803 0.023 0.000 0.938 159 Q CB 1.641 30.397 28.738 0.030 0.000 1.170 159 Q HN 0.027 nan 8.270 nan 0.000 0.469 160 T N 0.802 115.358 114.554 0.004 0.000 2.876 160 T HA 0.606 4.956 4.350 -0.000 0.000 0.289 160 T C -0.748 173.962 174.700 0.016 0.000 1.014 160 T CA -0.496 61.589 62.100 -0.026 0.000 0.986 160 T CB 1.766 70.586 68.868 -0.081 0.000 1.021 160 T HN -0.000 nan 8.240 nan 0.000 0.458 161 L N 1.932 123.146 121.223 -0.015 0.000 2.329 161 L HA 0.526 4.865 4.340 -0.000 0.000 0.279 161 L C 0.392 177.255 176.870 -0.010 0.000 1.014 161 L CA -0.906 53.898 54.840 -0.060 0.000 0.814 161 L CB 1.841 43.812 42.059 -0.147 0.000 1.257 161 L HN 0.664 nan 8.230 nan 0.000 0.424 162 E N 2.089 122.273 120.200 -0.027 0.000 2.259 162 E HA 0.364 4.714 4.350 -0.000 0.000 0.281 162 E C -1.441 175.009 176.600 -0.251 0.000 1.037 162 E CA -0.432 55.872 56.400 -0.160 0.000 0.854 162 E CB 1.085 30.762 29.700 -0.038 0.000 1.051 162 E HN 0.593 nan 8.360 nan 0.000 0.409 163 C N 2.776 121.866 119.300 -0.350 0.000 2.889 163 C HA 0.553 5.013 4.460 -0.000 0.000 0.307 163 C C -0.474 174.387 174.990 -0.215 0.000 1.251 163 C CA -0.677 58.194 59.018 -0.244 0.000 1.593 163 C CB 1.944 29.566 27.740 -0.197 0.000 2.104 163 C HN 0.748 nan 8.230 nan 0.000 0.476 164 T N 1.165 115.631 114.554 -0.148 0.000 2.855 164 T HA 0.479 4.829 4.350 -0.000 0.000 0.281 164 T C -0.418 174.249 174.700 -0.054 0.000 1.007 164 T CA -0.428 61.612 62.100 -0.100 0.000 1.009 164 T CB 1.308 70.126 68.868 -0.083 0.000 0.983 164 T HN 0.425 nan 8.240 nan 0.000 0.455 165 V N 3.858 123.755 119.914 -0.027 0.000 2.405 165 V HA 0.104 4.224 4.120 -0.000 0.000 0.264 165 V C 1.454 177.557 176.094 0.015 0.000 1.048 165 V CA 0.094 62.398 62.300 0.007 0.000 0.966 165 V CB 0.410 32.242 31.823 0.017 0.000 1.015 165 V HN 1.082 nan 8.190 nan 0.000 0.477 166 T N 3.835 118.408 114.554 0.031 0.000 2.857 166 T HA -0.019 4.331 4.350 -0.000 0.000 0.266 166 T C 0.738 175.457 174.700 0.031 0.000 1.048 166 T CA 1.132 63.259 62.100 0.045 0.000 1.139 166 T CB -0.174 68.742 68.868 0.081 0.000 0.874 166 T HN 0.824 nan 8.240 nan 0.000 0.455 167 N N 0.151 118.870 118.700 0.032 0.000 2.367 167 N HA 0.156 4.896 4.740 -0.000 0.000 0.278 167 N C -1.670 173.870 175.510 0.050 0.000 1.117 167 N CA -0.495 52.574 53.050 0.031 0.000 0.867 167 N CB 1.318 39.817 38.487 0.021 0.000 1.649 167 N HN -0.165 nan 8.380 nan 0.000 0.479 168 S N 1.017 116.745 115.700 0.047 0.000 2.525 168 S HA 0.188 4.658 4.470 -0.000 0.000 0.285 168 S C -0.579 174.096 174.600 0.124 0.000 1.283 168 S CA 0.330 58.563 58.200 0.056 0.000 1.072 168 S CB -0.532 62.687 63.200 0.031 0.000 0.867 168 S HN 0.751 nan 8.310 nan 0.000 0.492 169 H N 0.603 119.656 119.070 -0.027 0.000 3.121 169 H HA 0.325 4.881 4.556 -0.000 0.000 0.337 169 H C -0.894 174.393 175.328 -0.068 0.000 1.198 169 H CA -0.577 55.450 56.048 -0.036 0.000 1.274 169 H CB 0.828 30.577 29.762 -0.021 0.000 1.954 169 H HN 0.566 nan 8.280 nan 0.000 0.531 170 T N 3.432 117.585 114.554 -0.669 0.000 2.767 170 T HA 0.562 4.912 4.350 -0.000 0.000 0.288 170 T C 0.334 174.707 174.700 -0.545 0.000 0.963 170 T CA -0.736 61.070 62.100 -0.490 0.000 1.019 170 T CB 0.166 68.826 68.868 -0.347 0.000 0.923 170 T HN 0.589 nan 8.240 nan 0.000 0.468 171 I N 0.383 120.712 120.570 -0.402 0.000 2.509 171 I HA 0.754 4.924 4.170 -0.000 0.000 0.293 171 I C 0.143 176.027 176.117 -0.388 0.000 1.020 171 I CA -0.980 60.135 61.300 -0.309 0.000 1.088 171 I CB 2.279 40.154 38.000 -0.208 0.000 1.267 171 I HN 0.729 nan 8.210 nan 0.000 0.430 172 S N 3.063 118.675 115.700 -0.146 0.000 2.690 172 S HA 0.406 4.876 4.470 -0.000 0.000 0.285 172 S C -0.145 174.604 174.600 0.248 0.000 1.135 172 S CA -0.824 57.366 58.200 -0.017 0.000 1.020 172 S CB 0.657 63.871 63.200 0.024 0.000 1.159 172 S HN 0.697 nan 8.310 nan 0.000 0.534 173 D N 1.039 121.616 120.400 0.296 0.000 2.449 173 D HA 0.067 4.707 4.640 -0.000 0.000 0.236 173 D C -0.025 176.403 176.300 0.215 0.000 1.149 173 D CA 0.530 54.710 54.000 0.300 0.000 0.878 173 D CB 0.070 40.980 40.800 0.183 0.000 1.198 173 D HN 0.467 nan 8.370 nan 0.000 0.446 174 R N 1.157 121.743 120.500 0.143 0.000 2.788 174 R HA -0.201 4.139 4.340 -0.000 0.000 0.258 174 R C -0.202 176.170 176.300 0.121 0.000 0.895 174 R CA 0.519 56.683 56.100 0.107 0.000 0.702 174 R CB -0.908 29.441 30.300 0.082 0.000 1.661 174 R HN 0.276 nan 8.270 nan 0.000 0.520 175 R N 0.255 120.839 120.500 0.140 0.000 2.720 175 R HA 0.369 4.709 4.340 -0.000 0.000 0.272 175 R C 0.734 177.090 176.300 0.094 0.000 0.991 175 R CA -0.408 55.767 56.100 0.124 0.000 1.010 175 R CB 1.364 31.751 30.300 0.144 0.000 1.141 175 R HN 0.451 nan 8.270 nan 0.000 0.494 176 G N 0.608 109.453 108.800 0.076 0.000 2.365 176 G HA2 0.284 4.244 3.960 -0.000 0.000 0.249 176 G HA3 0.284 4.244 3.960 -0.000 0.000 0.249 176 G C -0.395 174.548 174.900 0.071 0.000 1.288 176 G CA -0.255 44.871 45.100 0.043 0.000 0.887 176 G HN 0.223 nan 8.290 nan 0.000 0.524 177 V N 4.170 124.108 119.914 0.040 0.000 2.435 177 V HA 0.340 4.460 4.120 -0.000 0.000 0.290 177 V C -0.296 175.837 176.094 0.065 0.000 1.030 177 V CA -1.115 61.230 62.300 0.073 0.000 0.881 177 V CB 1.538 33.394 31.823 0.055 0.000 0.983 177 V HN 0.706 nan 8.190 nan 0.000 0.445 178 N N 4.116 122.903 118.700 0.146 0.000 2.321 178 N HA 0.540 5.279 4.740 -0.000 0.000 0.299 178 N C -1.269 174.370 175.510 0.216 0.000 1.048 178 N CA -0.526 52.626 53.050 0.169 0.000 0.836 178 N CB 2.545 41.128 38.487 0.160 0.000 1.269 178 N HN 0.344 nan 8.380 nan 0.000 0.486 179 L N 3.674 124.987 121.223 0.151 0.000 2.556 179 L HA 0.411 4.751 4.340 -0.000 0.000 0.243 179 L C -2.288 174.660 176.870 0.130 0.000 1.331 179 L CA -1.724 53.202 54.840 0.144 0.000 0.927 179 L CB 0.518 42.602 42.059 0.042 0.000 1.219 179 L HN 0.299 nan 8.230 nan 0.000 0.490 180 P HA 0.451 nan 4.420 nan 0.000 0.277 180 P C 0.830 178.190 177.300 0.101 0.000 1.240 180 P CA -0.040 63.099 63.100 0.066 0.000 0.798 180 P CB 1.027 32.686 31.700 -0.068 0.000 0.979 181 G N -0.211 108.625 108.800 0.061 0.000 2.153 181 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.252 181 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.252 181 G C -0.132 174.809 174.900 0.069 0.000 0.994 181 G CA -0.072 45.069 45.100 0.069 0.000 0.698 181 G HN 0.725 nan 8.290 nan 0.000 0.521 182 C N 0.235 119.575 119.300 0.068 0.000 2.535 182 C HA 0.494 4.954 4.460 -0.000 0.000 0.319 182 C C -0.061 174.964 174.990 0.058 0.000 1.171 182 C CA -1.225 57.830 59.018 0.061 0.000 1.394 182 C CB 1.792 29.566 27.740 0.057 0.000 1.990 182 C HN 0.501 nan 8.230 nan 0.000 0.466 183 D N 2.888 123.325 120.400 0.062 0.000 2.383 183 D HA 0.250 4.890 4.640 -0.000 0.000 0.245 183 D C -0.178 176.165 176.300 0.071 0.000 1.263 183 D CA 0.334 54.372 54.000 0.064 0.000 0.936 183 D CB 0.573 41.410 40.800 0.063 0.000 1.053 183 D HN 0.479 nan 8.370 nan 0.000 0.507 184 V N 1.279 121.222 119.914 0.050 0.000 2.325 184 V HA 0.375 4.495 4.120 -0.000 0.000 0.280 184 V C -0.399 175.726 176.094 0.052 0.000 1.016 184 V CA -1.104 61.212 62.300 0.026 0.000 0.818 184 V CB 1.356 33.091 31.823 -0.147 0.000 1.019 184 V HN 0.077 nan 8.190 nan 0.000 0.434 185 D N 5.305 125.758 120.400 0.088 0.000 2.517 185 D HA 0.421 5.061 4.640 -0.000 0.000 0.220 185 D C 0.113 176.475 176.300 0.104 0.000 1.158 185 D CA 0.235 54.286 54.000 0.086 0.000 0.992 185 D CB 0.556 41.402 40.800 0.078 0.000 1.058 185 D HN 0.587 nan 8.370 nan 0.000 0.516 186 L N 2.565 123.847 121.223 0.098 0.000 2.380 186 L HA 0.280 4.620 4.340 -0.000 0.000 0.273 186 L C -1.545 175.390 176.870 0.108 0.000 1.138 186 L CA -1.663 53.242 54.840 0.108 0.000 0.832 186 L CB 0.086 42.200 42.059 0.091 0.000 1.124 186 L HN 0.101 nan 8.230 nan 0.000 0.454 187 P HA -0.054 nan 4.420 nan 0.000 0.269 187 P C 0.135 177.491 177.300 0.093 0.000 1.211 187 P CA -0.015 63.136 63.100 0.084 0.000 0.781 187 P CB 0.665 32.410 31.700 0.076 0.000 0.877 188 A N 1.381 124.247 122.820 0.077 0.000 2.015 188 A HA 0.066 4.386 4.320 -0.000 0.000 0.219 188 A C 0.698 178.330 177.584 0.080 0.000 1.163 188 A CA 1.323 53.406 52.037 0.077 0.000 0.646 188 A CB -0.154 18.878 19.000 0.052 0.000 0.806 188 A HN 0.391 nan 8.150 nan 0.000 0.448 189 V N 0.449 120.405 119.914 0.070 0.000 2.668 189 V HA 0.376 4.496 4.120 -0.000 0.000 0.304 189 V C -0.050 176.081 176.094 0.061 0.000 1.071 189 V CA -0.352 61.986 62.300 0.063 0.000 0.894 189 V CB 1.991 33.845 31.823 0.051 0.000 1.008 189 V HN 0.486 nan 8.190 nan 0.000 0.425 190 S N 3.932 119.667 115.700 0.060 0.000 2.617 190 S HA 0.607 5.077 4.470 -0.000 0.000 0.269 190 S C 1.436 176.071 174.600 0.058 0.000 1.292 190 S CA 0.171 58.405 58.200 0.057 0.000 1.010 190 S CB 1.778 65.009 63.200 0.052 0.000 0.944 190 S HN 1.307 nan 8.310 nan 0.000 0.536 191 A N 1.869 124.723 122.820 0.056 0.000 1.917 191 A HA -0.158 4.162 4.320 -0.000 0.000 0.219 191 A C 2.177 179.801 177.584 0.066 0.000 1.182 191 A CA 1.786 53.856 52.037 0.056 0.000 0.633 191 A CB -0.887 18.142 19.000 0.048 0.000 0.819 191 A HN 0.859 nan 8.150 nan 0.000 0.448 192 K N -0.489 119.954 120.400 0.071 0.000 2.097 192 K HA -0.186 4.134 4.320 -0.000 0.000 0.206 192 K C 1.298 177.964 176.600 0.111 0.000 1.049 192 K CA 1.742 58.085 56.287 0.093 0.000 0.933 192 K CB -0.328 32.223 32.500 0.085 0.000 0.717 192 K HN 0.425 nan 8.250 nan 0.000 0.442 193 D N 0.235 120.686 120.400 0.084 0.000 2.097 193 D HA -0.161 4.479 4.640 -0.000 0.000 0.195 193 D C 1.994 178.336 176.300 0.072 0.000 0.989 193 D CA 0.981 55.023 54.000 0.071 0.000 0.827 193 D CB -0.159 40.674 40.800 0.055 0.000 0.966 193 D HN 0.209 nan 8.370 nan 0.000 0.456 194 R N 0.643 121.186 120.500 0.071 0.000 2.096 194 R HA -0.159 4.181 4.340 -0.000 0.000 0.240 194 R C 2.247 178.603 176.300 0.093 0.000 1.139 194 R CA 1.873 58.014 56.100 0.069 0.000 0.952 194 R CB -0.216 30.120 30.300 0.059 0.000 0.854 194 R HN 0.262 nan 8.270 nan 0.000 0.436 195 V N -1.517 118.467 119.914 0.116 0.000 2.379 195 V HA -0.123 3.997 4.120 -0.000 0.000 0.245 195 V C 1.347 177.601 176.094 0.266 0.000 1.044 195 V CA 1.974 64.369 62.300 0.159 0.000 1.036 195 V CB -0.547 31.350 31.823 0.123 0.000 0.664 195 V HN 0.158 nan 8.190 nan 0.000 0.453 196 D N 0.875 121.428 120.400 0.254 0.000 2.144 196 D HA -0.080 4.560 4.640 -0.000 0.000 0.199 196 D C 2.124 178.494 176.300 0.116 0.000 0.984 196 D CA 1.715 55.855 54.000 0.233 0.000 0.834 196 D CB -0.342 40.544 40.800 0.142 0.000 0.955 196 D HN 0.480 nan 8.370 nan 0.000 0.465 197 L N 0.612 121.875 121.223 0.067 0.000 2.141 197 L HA -0.166 4.174 4.340 -0.000 0.000 0.209 197 L C 2.475 179.386 176.870 0.069 0.000 1.094 197 L CA 0.762 55.616 54.840 0.024 0.000 0.763 197 L CB -0.277 41.790 42.059 0.012 0.000 0.908 197 L HN -0.039 nan 8.230 nan 0.000 0.437 198 Q N -0.432 119.442 119.800 0.123 0.000 2.030 198 Q HA -0.251 4.089 4.340 -0.000 0.000 0.204 198 Q C 2.167 178.264 176.000 0.161 0.000 0.986 198 Q CA 1.871 57.750 55.803 0.126 0.000 0.843 198 Q CB -0.811 28.012 28.738 0.142 0.000 0.904 198 Q HN 0.414 nan 8.270 nan 0.000 0.420 199 F N 1.311 121.332 119.950 0.118 0.000 2.043 199 F HA -0.214 4.313 4.527 -0.000 0.000 0.297 199 F C 2.248 178.072 175.800 0.040 0.000 1.121 199 F CA 2.101 60.188 58.000 0.145 0.000 1.199 199 F CB -0.807 38.357 39.000 0.272 0.000 0.968 199 F HN 0.166 nan 8.300 nan 0.000 0.478 200 G N 0.008 108.872 108.800 0.107 0.000 2.513 200 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.219 200 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.219 200 G C 1.744 176.576 174.900 -0.114 0.000 1.160 200 G CA 1.614 46.672 45.100 -0.070 0.000 0.767 200 G HN 0.390 nan 8.290 nan 0.000 0.571 201 V N 0.713 120.588 119.914 -0.065 0.000 2.295 201 V HA -0.178 3.942 4.120 -0.000 0.000 0.246 201 V C 2.662 178.704 176.094 -0.088 0.000 1.049 201 V CA 2.402 64.666 62.300 -0.060 0.000 1.024 201 V CB -0.599 31.210 31.823 -0.023 0.000 0.648 201 V HN 0.479 nan 8.190 nan 0.000 0.447 202 E N -0.422 119.715 120.200 -0.106 0.000 2.204 202 E HA -0.174 4.176 4.350 -0.000 0.000 0.194 202 E C 1.989 178.470 176.600 -0.199 0.000 0.989 202 E CA 0.753 57.078 56.400 -0.125 0.000 0.824 202 E CB -0.018 29.624 29.700 -0.097 0.000 0.756 202 E HN 0.510 nan 8.360 nan 0.000 0.477 203 Q N -0.773 118.841 119.800 -0.309 0.000 2.282 203 Q HA 0.147 4.487 4.340 -0.000 0.000 0.206 203 Q C 0.563 176.453 176.000 -0.184 0.000 0.878 203 Q CA 0.532 56.145 55.803 -0.318 0.000 0.944 203 Q CB 1.170 29.566 28.738 -0.569 0.000 1.100 203 Q HN 0.298 nan 8.270 nan 0.000 0.509 204 G N 1.779 110.493 108.800 -0.142 0.000 2.333 204 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.296 204 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.296 204 G C 0.373 175.218 174.900 -0.092 0.000 1.059 204 G CA 0.370 45.412 45.100 -0.098 0.000 1.050 204 G HN 0.319 nan 8.290 nan 0.000 0.508 205 V N -2.889 116.963 119.914 -0.103 0.000 3.185 205 V HA 0.504 4.624 4.120 -0.000 0.000 0.305 205 V C 1.107 177.150 176.094 -0.086 0.000 1.090 205 V CA 0.564 62.805 62.300 -0.098 0.000 1.107 205 V CB 1.172 32.919 31.823 -0.125 0.000 1.061 205 V HN 0.212 nan 8.190 nan 0.000 0.480 206 D N 1.346 121.692 120.400 -0.089 0.000 2.323 206 D HA 0.179 4.819 4.640 -0.000 0.000 0.218 206 D C 0.661 176.920 176.300 -0.069 0.000 0.973 206 D CA 1.354 55.313 54.000 -0.067 0.000 0.890 206 D CB 0.513 41.281 40.800 -0.053 0.000 1.011 206 D HN 0.786 nan 8.370 nan 0.000 0.499 207 M N -0.422 119.106 119.600 -0.120 0.000 2.520 207 M HA 0.457 4.937 4.480 -0.000 0.000 0.280 207 M C -1.884 174.295 176.300 -0.202 0.000 1.232 207 M CA -0.851 54.382 55.300 -0.111 0.000 0.892 207 M CB 2.437 35.008 32.600 -0.047 0.000 1.728 207 M HN -0.377 nan 8.290 nan 0.000 0.475 208 I N 2.492 123.001 120.570 -0.100 0.000 2.359 208 I HA 0.409 4.578 4.170 -0.000 0.000 0.294 208 I C -1.053 175.127 176.117 0.105 0.000 0.987 208 I CA -0.110 61.133 61.300 -0.094 0.000 1.225 208 I CB 1.261 39.230 38.000 -0.053 0.000 1.366 208 I HN 0.455 nan 8.210 nan 0.000 0.466 209 F N 5.928 125.859 119.950 -0.033 0.000 2.384 209 F HA 0.506 5.033 4.527 -0.000 0.000 0.359 209 F C 0.771 176.569 175.800 -0.003 0.000 1.143 209 F CA -1.358 56.637 58.000 -0.008 0.000 1.216 209 F CB -0.145 38.859 39.000 0.006 0.000 1.512 209 F HN 0.431 nan 8.300 nan 0.000 0.573 210 A N 2.169 125.097 122.820 0.179 0.000 2.488 210 A HA 0.488 4.808 4.320 -0.000 0.000 0.249 210 A C 0.503 178.151 177.584 0.108 0.000 1.083 210 A CA -0.092 52.009 52.037 0.108 0.000 0.768 210 A CB 0.099 19.144 19.000 0.075 0.000 1.017 210 A HN 0.539 nan 8.150 nan 0.000 0.496 211 S N 0.729 116.499 115.700 0.118 0.000 2.617 211 S HA 0.543 5.013 4.470 -0.000 0.000 0.283 211 S C 0.048 174.779 174.600 0.219 0.000 1.189 211 S CA -0.299 57.992 58.200 0.151 0.000 1.036 211 S CB 0.215 63.502 63.200 0.146 0.000 1.014 211 S HN 1.027 nan 8.310 nan 0.000 0.522 212 F N 0.504 120.463 119.950 0.014 0.000 3.067 212 F HA -0.202 4.325 4.527 -0.000 0.000 0.279 212 F C -0.461 175.337 175.800 -0.003 0.000 0.945 212 F CA -0.196 57.807 58.000 0.005 0.000 0.948 212 F CB -0.993 38.013 39.000 0.010 0.000 0.898 212 F HN 0.411 nan 8.300 nan 0.000 0.746 213 I N 2.151 122.702 120.570 -0.032 0.000 2.416 213 I HA 0.129 4.299 4.170 -0.000 0.000 0.288 213 I C 1.388 177.398 176.117 -0.177 0.000 1.051 213 I CA 0.368 61.627 61.300 -0.067 0.000 1.375 213 I CB 0.854 38.838 38.000 -0.027 0.000 1.407 213 I HN 0.221 nan 8.210 nan 0.000 0.516 214 R N 3.484 123.877 120.500 -0.179 0.000 2.509 214 R HA 0.328 4.667 4.340 -0.000 0.000 0.297 214 R C -0.221 175.989 176.300 -0.150 0.000 0.951 214 R CA -0.045 55.921 56.100 -0.222 0.000 1.103 214 R CB 0.142 30.257 30.300 -0.310 0.000 1.283 214 R HN 0.555 nan 8.270 nan 0.000 0.534 215 S N -1.301 114.341 115.700 -0.096 0.000 2.550 215 S HA 0.621 5.091 4.470 -0.000 0.000 0.270 215 S C 0.539 175.111 174.600 -0.046 0.000 1.145 215 S CA -0.321 57.837 58.200 -0.069 0.000 0.852 215 S CB 1.964 65.131 63.200 -0.055 0.000 1.119 215 S HN 0.057 nan 8.310 nan 0.000 0.465 216 A N 1.109 123.906 122.820 -0.039 0.000 1.933 216 A HA -0.050 4.270 4.320 -0.000 0.000 0.218 216 A C 1.923 179.498 177.584 -0.016 0.000 1.175 216 A CA 1.657 53.678 52.037 -0.026 0.000 0.628 216 A CB -0.950 18.035 19.000 -0.025 0.000 0.814 216 A HN 0.933 nan 8.150 nan 0.000 0.444 217 E N -0.052 120.139 120.200 -0.015 0.000 2.160 217 E HA -0.250 4.100 4.350 -0.000 0.000 0.195 217 E C 2.039 178.640 176.600 0.000 0.000 0.991 217 E CA 1.517 57.913 56.400 -0.006 0.000 0.810 217 E CB -0.147 29.549 29.700 -0.006 0.000 0.742 217 E HN 0.798 nan 8.360 nan 0.000 0.466 218 Q N -0.322 119.477 119.800 -0.002 0.000 2.230 218 Q HA -0.081 4.258 4.340 -0.000 0.000 0.202 218 Q C 2.266 178.273 176.000 0.012 0.000 0.963 218 Q CA 0.959 56.767 55.803 0.009 0.000 0.866 218 Q CB 0.244 28.986 28.738 0.007 0.000 0.931 218 Q HN 0.163 nan 8.270 nan 0.000 0.452 219 V N 0.229 120.146 119.914 0.004 0.000 2.358 219 V HA -0.182 3.938 4.120 -0.000 0.000 0.246 219 V C 2.245 178.346 176.094 0.012 0.000 1.047 219 V CA 1.952 64.258 62.300 0.009 0.000 1.035 219 V CB -1.155 30.669 31.823 0.002 0.000 0.658 219 V HN 0.500 nan 8.190 nan 0.000 0.452 220 G N -0.274 108.531 108.800 0.009 0.000 2.450 220 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.220 220 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.220 220 G C 1.255 176.164 174.900 0.014 0.000 1.130 220 G CA 1.039 46.145 45.100 0.010 0.000 0.760 220 G HN 0.505 nan 8.290 nan 0.000 0.557 221 D N 0.199 120.609 120.400 0.017 0.000 2.144 221 D HA -0.082 4.557 4.640 -0.000 0.000 0.199 221 D C 2.733 179.047 176.300 0.023 0.000 0.984 221 D CA 0.709 54.722 54.000 0.021 0.000 0.834 221 D CB -0.178 40.637 40.800 0.026 0.000 0.955 221 D HN 0.218 nan 8.370 nan 0.000 0.465 222 V N 0.918 120.846 119.914 0.023 0.000 2.343 222 V HA -0.210 3.910 4.120 -0.000 0.000 0.247 222 V C 2.584 178.689 176.094 0.017 0.000 1.051 222 V CA 1.454 63.767 62.300 0.023 0.000 1.036 222 V CB -0.364 31.474 31.823 0.025 0.000 0.654 222 V HN 0.080 nan 8.190 nan 0.000 0.451 223 R N -0.079 120.431 120.500 0.016 0.000 2.092 223 R HA -0.145 4.195 4.340 -0.000 0.000 0.231 223 R C 2.495 178.803 176.300 0.013 0.000 1.119 223 R CA 1.235 57.342 56.100 0.013 0.000 0.970 223 R CB -0.217 30.090 30.300 0.012 0.000 0.864 223 R HN 0.275 nan 8.270 nan 0.000 0.440 224 K N 0.353 120.762 120.400 0.015 0.000 2.103 224 K HA -0.118 4.202 4.320 -0.000 0.000 0.207 224 K C 1.702 178.313 176.600 0.018 0.000 1.048 224 K CA 1.566 57.863 56.287 0.016 0.000 0.930 224 K CB -0.111 32.399 32.500 0.017 0.000 0.716 224 K HN 0.243 nan 8.250 nan 0.000 0.444 225 A N 1.031 123.863 122.820 0.020 0.000 1.930 225 A HA -0.071 4.249 4.320 -0.000 0.000 0.217 225 A C 2.288 179.884 177.584 0.020 0.000 1.175 225 A CA 0.950 53.001 52.037 0.023 0.000 0.627 225 A CB -0.397 18.620 19.000 0.027 0.000 0.815 225 A HN 0.285 nan 8.150 nan 0.000 0.443 226 L N -1.084 120.147 121.223 0.013 0.000 2.141 226 L HA 0.137 4.477 4.340 -0.000 0.000 0.209 226 L C 1.591 178.466 176.870 0.008 0.000 1.094 226 L CA 0.603 55.447 54.840 0.007 0.000 0.763 226 L CB -0.996 41.063 42.059 -0.000 0.000 0.908 226 L HN 0.655 nan 8.230 nan 0.000 0.437 227 G N -0.475 108.332 108.800 0.011 0.000 2.796 227 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.226 227 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.226 227 G C -1.814 173.091 174.900 0.008 0.000 1.381 227 G CA -0.276 44.830 45.100 0.011 0.000 0.867 227 G HN 0.083 nan 8.290 nan 0.000 0.552 228 P HA -0.151 nan 4.420 nan 0.000 0.216 228 P C 1.550 178.853 177.300 0.006 0.000 1.154 228 P CA 2.138 65.243 63.100 0.008 0.000 0.865 228 P CB -0.086 31.619 31.700 0.009 0.000 0.789 229 K N -0.711 119.691 120.400 0.003 0.000 2.148 229 K HA 0.010 4.330 4.320 -0.000 0.000 0.204 229 K C 2.169 178.765 176.600 -0.006 0.000 1.050 229 K CA 1.355 57.641 56.287 -0.002 0.000 0.942 229 K CB -0.617 31.880 32.500 -0.004 0.000 0.724 229 K HN 0.175 nan 8.250 nan 0.000 0.446 230 G N 1.632 110.429 108.800 -0.005 0.000 3.314 230 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.238 230 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.238 230 G C 1.083 175.981 174.900 -0.004 0.000 1.184 230 G CA -0.386 44.708 45.100 -0.009 0.000 0.806 230 G HN 0.253 nan 8.290 nan 0.000 0.536 231 R N -0.211 120.290 120.500 0.001 0.000 2.189 231 R HA 0.014 4.353 4.340 -0.000 0.000 0.223 231 R C 0.499 176.803 176.300 0.007 0.000 1.092 231 R CA 1.290 57.394 56.100 0.006 0.000 0.989 231 R CB -0.050 30.256 30.300 0.009 0.000 0.876 231 R HN 0.035 nan 8.270 nan 0.000 0.457 232 D N 0.868 121.270 120.400 0.004 0.000 2.339 232 D HA 0.168 4.808 4.640 -0.000 0.000 0.217 232 D C 0.300 176.600 176.300 0.001 0.000 1.050 232 D CA 0.177 54.180 54.000 0.006 0.000 0.856 232 D CB 0.292 41.096 40.800 0.006 0.000 0.922 232 D HN 0.269 nan 8.370 nan 0.000 0.518 233 I N 1.719 122.286 120.570 -0.006 0.000 2.396 233 I HA 0.080 4.249 4.170 -0.000 0.000 0.289 233 I C 0.826 176.943 176.117 0.000 0.000 1.056 233 I CA -0.272 61.020 61.300 -0.013 0.000 1.365 233 I CB 0.713 38.696 38.000 -0.028 0.000 1.407 233 I HN -0.346 nan 8.210 nan 0.000 0.509 234 M N 6.755 126.360 119.600 0.008 0.000 2.248 234 M HA 0.298 4.778 4.480 -0.000 0.000 0.337 234 M C -0.403 175.920 176.300 0.038 0.000 1.121 234 M CA 0.392 55.710 55.300 0.029 0.000 1.155 234 M CB 0.589 33.216 32.600 0.045 0.000 1.514 234 M HN 0.416 nan 8.290 nan 0.000 0.452 235 I N 3.369 123.969 120.570 0.049 0.000 2.354 235 I HA 0.317 4.487 4.170 -0.000 0.000 0.286 235 I C -0.846 175.324 176.117 0.088 0.000 1.007 235 I CA -0.625 60.713 61.300 0.064 0.000 1.167 235 I CB 1.150 39.174 38.000 0.041 0.000 1.320 235 I HN 0.473 nan 8.210 nan 0.000 0.458 236 I N 6.161 126.824 120.570 0.155 0.000 2.331 236 I HA 0.226 4.395 4.170 -0.000 0.000 0.292 236 I C -0.215 175.948 176.117 0.076 0.000 0.998 236 I CA 0.015 61.389 61.300 0.124 0.000 1.267 236 I CB 1.138 39.238 38.000 0.166 0.000 1.386 236 I HN 0.533 nan 8.210 nan 0.000 0.476 237 C N 5.870 125.179 119.300 0.015 0.000 2.307 237 C HA 0.368 4.828 4.460 -0.000 0.000 0.340 237 C C 0.508 175.481 174.990 -0.029 0.000 1.275 237 C CA -1.083 57.937 59.018 0.003 0.000 1.811 237 C CB -0.120 27.614 27.740 -0.009 0.000 2.372 237 C HN 0.617 nan 8.230 nan 0.000 0.531 238 K N 3.369 123.763 120.400 -0.011 0.000 2.276 238 K HA 0.418 4.738 4.320 -0.000 0.000 0.285 238 K C -0.362 176.217 176.600 -0.036 0.000 1.062 238 K CA -0.128 56.146 56.287 -0.021 0.000 0.918 238 K CB 0.482 32.997 32.500 0.025 0.000 1.055 238 K HN 0.496 nan 8.250 nan 0.000 0.477 239 I N 3.891 124.429 120.570 -0.053 0.000 2.304 239 I HA 0.101 4.271 4.170 -0.000 0.000 0.291 239 I C 0.710 176.789 176.117 -0.062 0.000 1.018 239 I CA 0.295 61.548 61.300 -0.078 0.000 1.260 239 I CB 0.925 38.881 38.000 -0.074 0.000 1.390 239 I HN 0.790 nan 8.210 nan 0.000 0.475 240 E N 4.040 124.184 120.200 -0.093 0.000 2.536 240 E HA 0.063 4.412 4.350 -0.000 0.000 0.220 240 E C 0.071 176.643 176.600 -0.047 0.000 0.876 240 E CA -0.047 56.337 56.400 -0.026 0.000 1.190 240 E CB 0.864 30.623 29.700 0.098 0.000 1.191 240 E HN 0.817 nan 8.360 nan 0.000 0.557 241 N N -1.109 117.493 118.700 -0.163 0.000 2.761 241 N HA 0.093 4.833 4.740 -0.000 0.000 0.283 241 N C 0.817 176.266 175.510 -0.103 0.000 1.377 241 N CA -0.567 52.416 53.050 -0.111 0.000 0.791 241 N CB 0.543 38.930 38.487 -0.166 0.000 1.540 241 N HN -0.072 nan 8.380 nan 0.000 0.539 242 H N -1.877 117.117 119.070 -0.126 0.000 2.387 242 H HA -0.120 4.436 4.556 -0.000 0.000 0.299 242 H C 1.746 177.010 175.328 -0.106 0.000 1.099 242 H CA 1.567 57.553 56.048 -0.104 0.000 1.315 242 H CB -0.005 29.703 29.762 -0.090 0.000 1.380 242 H HN 0.698 nan 8.280 nan 0.000 0.513 243 Q N 0.745 119.957 119.800 -0.981 0.000 2.124 243 Q HA -0.087 4.253 4.340 -0.000 0.000 0.202 243 Q C 2.554 178.330 176.000 -0.374 0.000 0.977 243 Q CA 1.283 56.634 55.803 -0.753 0.000 0.850 243 Q CB -0.336 28.021 28.738 -0.635 0.000 0.901 243 Q HN 0.692 nan 8.270 nan 0.000 0.429 244 G N -0.165 108.442 108.800 -0.321 0.000 2.421 244 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.216 244 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.216 244 G C 1.398 176.203 174.900 -0.157 0.000 1.171 244 G CA 0.984 45.952 45.100 -0.219 0.000 0.775 244 G HN 0.291 nan 8.290 nan 0.000 0.543 245 V N 0.670 120.499 119.914 -0.142 0.000 2.332 245 V HA -0.267 3.853 4.120 -0.000 0.000 0.248 245 V C 2.752 178.795 176.094 -0.086 0.000 1.055 245 V CA 2.313 64.559 62.300 -0.091 0.000 1.038 245 V CB -0.596 31.191 31.823 -0.060 0.000 0.651 245 V HN 0.516 nan 8.190 nan 0.000 0.450 246 Q N 0.324 120.056 119.800 -0.114 0.000 2.084 246 Q HA -0.190 4.150 4.340 -0.000 0.000 0.202 246 Q C 1.223 177.172 176.000 -0.085 0.000 0.978 246 Q CA 1.672 57.420 55.803 -0.092 0.000 0.844 246 Q CB -0.002 28.665 28.738 -0.120 0.000 0.898 246 Q HN 0.609 nan 8.270 nan 0.000 0.426 247 N N 0.405 119.042 118.700 -0.105 0.000 2.320 247 N HA 0.065 4.805 4.740 -0.000 0.000 0.237 247 N C 0.860 176.326 175.510 -0.073 0.000 1.129 247 N CA 0.010 53.009 53.050 -0.085 0.000 0.854 247 N CB 0.345 38.776 38.487 -0.095 0.000 1.083 247 N HN 0.313 nan 8.380 nan 0.000 0.504 248 I N 0.719 121.248 120.570 -0.068 0.000 2.179 248 I HA -0.268 3.902 4.170 -0.000 0.000 0.242 248 I C 1.281 177.370 176.117 -0.047 0.000 1.088 248 I CA 1.608 62.873 61.300 -0.059 0.000 1.357 248 I CB 0.204 38.172 38.000 -0.054 0.000 1.051 248 I HN -0.056 nan 8.210 nan 0.000 0.409 249 D N 0.510 120.884 120.400 -0.044 0.000 2.154 249 D HA -0.238 4.402 4.640 -0.000 0.000 0.190 249 D C 2.466 178.744 176.300 -0.037 0.000 1.003 249 D CA 2.117 56.094 54.000 -0.039 0.000 0.849 249 D CB -0.515 40.262 40.800 -0.038 0.000 0.942 249 D HN 0.523 nan 8.370 nan 0.000 0.446 250 S N -0.097 115.580 115.700 -0.039 0.000 2.383 250 S HA -0.085 4.385 4.470 -0.000 0.000 0.227 250 S C 2.294 176.874 174.600 -0.033 0.000 1.026 250 S CA 0.523 58.702 58.200 -0.035 0.000 0.981 250 S CB -0.543 62.635 63.200 -0.037 0.000 0.818 250 S HN 0.257 nan 8.310 nan 0.000 0.472 251 I N 1.547 122.094 120.570 -0.039 0.000 2.252 251 I HA -0.118 4.052 4.170 -0.000 0.000 0.245 251 I C 2.406 178.507 176.117 -0.028 0.000 1.102 251 I CA 1.117 62.395 61.300 -0.036 0.000 1.385 251 I CB -0.402 37.569 38.000 -0.048 0.000 1.064 251 I HN 0.250 nan 8.210 nan 0.000 0.414 252 I N 1.089 121.641 120.570 -0.030 0.000 2.076 252 I HA -0.299 3.871 4.170 -0.000 0.000 0.237 252 I C 2.208 178.314 176.117 -0.018 0.000 1.059 252 I CA 1.894 63.179 61.300 -0.025 0.000 1.317 252 I CB -0.485 37.499 38.000 -0.028 0.000 1.037 252 I HN 0.330 nan 8.210 nan 0.000 0.398 253 E N 0.316 120.505 120.200 -0.019 0.000 2.512 253 E HA -0.099 4.251 4.350 -0.000 0.000 0.195 253 E C 1.387 177.982 176.600 -0.008 0.000 1.083 253 E CA 0.507 56.900 56.400 -0.013 0.000 0.873 253 E CB -0.172 29.518 29.700 -0.016 0.000 0.897 253 E HN 0.393 nan 8.360 nan 0.000 0.514 254 E N 0.400 120.594 120.200 -0.009 0.000 2.562 254 E HA 0.115 4.465 4.350 -0.000 0.000 0.214 254 E C -0.224 176.376 176.600 0.000 0.000 0.979 254 E CA 0.168 56.565 56.400 -0.005 0.000 1.002 254 E CB 0.730 30.424 29.700 -0.010 0.000 1.048 254 E HN 0.320 nan 8.360 nan 0.000 0.488 255 S N -0.989 114.711 115.700 0.001 0.000 2.806 255 S HA 0.380 4.850 4.470 -0.000 0.000 0.315 255 S C 0.347 174.956 174.600 0.014 0.000 1.127 255 S CA -0.678 57.527 58.200 0.008 0.000 0.918 255 S CB 1.455 64.657 63.200 0.004 0.000 1.240 255 S HN -0.123 nan 8.310 nan 0.000 0.552 256 D N 0.016 120.431 120.400 0.024 0.000 2.398 256 D HA 0.401 5.041 4.640 -0.000 0.000 0.210 256 D C 0.645 176.964 176.300 0.032 0.000 1.094 256 D CA 0.591 54.610 54.000 0.031 0.000 0.839 256 D CB 0.798 41.623 40.800 0.042 0.000 0.963 256 D HN 0.851 nan 8.370 nan 0.000 0.506 257 G N 0.368 109.180 108.800 0.020 0.000 2.321 257 G HA2 0.366 4.326 3.960 -0.000 0.000 0.298 257 G HA3 0.366 4.326 3.960 -0.000 0.000 0.298 257 G C -2.081 172.809 174.900 -0.016 0.000 1.385 257 G CA -0.808 44.296 45.100 0.006 0.000 0.856 257 G HN -0.012 nan 8.290 nan 0.000 0.584 258 I N 0.441 120.987 120.570 -0.040 0.000 2.582 258 I HA 0.730 4.900 4.170 -0.000 0.000 0.292 258 I C -0.114 175.943 176.117 -0.099 0.000 1.066 258 I CA -0.663 60.602 61.300 -0.059 0.000 1.053 258 I CB 2.160 40.133 38.000 -0.045 0.000 1.241 258 I HN 0.700 nan 8.210 nan 0.000 0.421 259 M N 7.346 126.871 119.600 -0.126 0.000 2.321 259 M HA 0.758 5.237 4.480 -0.000 0.000 0.315 259 M C -2.096 174.144 176.300 -0.100 0.000 1.052 259 M CA -0.557 54.645 55.300 -0.163 0.000 0.936 259 M CB 1.635 34.053 32.600 -0.304 0.000 1.639 259 M HN 0.414 nan 8.290 nan 0.000 0.433 260 V N 4.101 123.969 119.914 -0.077 0.000 2.925 260 V HA 0.975 5.095 4.120 -0.000 0.000 0.311 260 V C -1.543 174.532 176.094 -0.031 0.000 1.104 260 V CA -0.309 61.964 62.300 -0.046 0.000 0.954 260 V CB 2.206 34.006 31.823 -0.038 0.000 1.022 260 V HN 0.972 nan 8.190 nan 0.000 0.427 261 A N 5.356 128.167 122.820 -0.015 0.000 2.375 261 A HA 0.556 4.876 4.320 -0.000 0.000 0.295 261 A C 0.811 178.398 177.584 0.004 0.000 1.066 261 A CA -0.142 51.895 52.037 -0.001 0.000 0.722 261 A CB 1.371 20.377 19.000 0.009 0.000 1.206 261 A HN 0.996 nan 8.150 nan 0.000 0.435 262 R N 2.178 122.682 120.500 0.005 0.000 2.159 262 R HA -0.243 4.097 4.340 -0.000 0.000 0.252 262 R C 1.674 177.978 176.300 0.007 0.000 1.144 262 R CA 2.893 58.996 56.100 0.006 0.000 0.961 262 R CB -0.619 29.687 30.300 0.009 0.000 0.877 262 R HN 0.849 nan 8.270 nan 0.000 0.444 263 G N 0.461 109.269 108.800 0.014 0.000 2.524 263 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.215 263 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.215 263 G C 0.548 175.459 174.900 0.018 0.000 1.239 263 G CA 0.727 45.837 45.100 0.017 0.000 0.798 263 G HN 0.483 nan 8.290 nan 0.000 0.557 264 D N 0.409 120.826 120.400 0.028 0.000 2.848 264 D HA 0.156 4.796 4.640 -0.000 0.000 0.232 264 D C 1.375 177.693 176.300 0.028 0.000 1.107 264 D CA 0.005 54.029 54.000 0.040 0.000 1.020 264 D CB -0.533 40.299 40.800 0.053 0.000 1.148 264 D HN 0.193 nan 8.370 nan 0.000 0.453 265 L N -0.142 121.089 121.223 0.013 0.000 2.731 265 L HA 0.360 4.700 4.340 -0.000 0.000 0.240 265 L C 1.158 178.024 176.870 -0.006 0.000 1.120 265 L CA 0.205 55.043 54.840 -0.003 0.000 0.913 265 L CB 0.147 42.199 42.059 -0.012 0.000 1.213 265 L HN 0.398 nan 8.230 nan 0.000 0.515 266 G N -0.855 107.945 108.800 0.000 0.000 2.661 266 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.685 266 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.685 266 G C 0.281 175.134 174.900 -0.078 0.000 1.298 266 G CA -0.531 44.562 45.100 -0.012 0.000 0.855 266 G HN -0.273 nan 8.290 nan 0.000 0.560 267 V N 0.307 120.124 119.914 -0.162 0.000 2.255 267 V HA -0.139 3.981 4.120 -0.000 0.000 0.247 267 V C 2.502 178.438 176.094 -0.263 0.000 1.051 267 V CA 2.966 65.067 62.300 -0.332 0.000 1.018 267 V CB -0.685 30.713 31.823 -0.708 0.000 0.641 267 V HN 0.774 nan 8.190 nan 0.000 0.445 268 E N -0.483 119.586 120.200 -0.218 0.000 2.516 268 E HA 0.025 4.374 4.350 -0.000 0.000 0.199 268 E C -0.094 176.445 176.600 -0.102 0.000 1.069 268 E CA 0.161 56.452 56.400 -0.181 0.000 0.876 268 E CB 0.049 29.618 29.700 -0.219 0.000 0.843 268 E HN 0.519 nan 8.360 nan 0.000 0.530 269 I N 2.064 122.587 120.570 -0.079 0.000 2.337 269 I HA 0.169 4.339 4.170 -0.000 0.000 0.285 269 I C -2.276 173.807 176.117 -0.057 0.000 1.041 269 I CA -2.287 58.981 61.300 -0.053 0.000 1.199 269 I CB 0.921 38.901 38.000 -0.033 0.000 1.370 269 I HN -0.250 nan 8.210 nan 0.000 0.470 270 P HA -0.002 nan 4.420 nan 0.000 0.267 270 P C 0.778 178.056 177.300 -0.036 0.000 1.201 270 P CA 0.002 63.073 63.100 -0.049 0.000 0.775 270 P CB 0.809 32.484 31.700 -0.042 0.000 0.854 271 A N 3.216 126.016 122.820 -0.033 0.000 1.948 271 A HA -0.240 4.080 4.320 -0.000 0.000 0.220 271 A C 1.786 179.359 177.584 -0.017 0.000 1.177 271 A CA 1.754 53.777 52.037 -0.024 0.000 0.636 271 A CB -0.858 18.128 19.000 -0.023 0.000 0.815 271 A HN 0.694 nan 8.150 nan 0.000 0.449 272 E N 0.245 120.435 120.200 -0.017 0.000 2.216 272 E HA -0.111 4.239 4.350 -0.000 0.000 0.192 272 E C 1.066 177.660 176.600 -0.010 0.000 0.988 272 E CA 0.990 57.383 56.400 -0.012 0.000 0.834 272 E CB -0.354 29.340 29.700 -0.011 0.000 0.772 272 E HN 0.618 nan 8.360 nan 0.000 0.479 273 K N 1.109 121.500 120.400 -0.015 0.000 2.469 273 K HA 0.175 4.495 4.320 -0.000 0.000 0.201 273 K C 1.512 178.105 176.600 -0.013 0.000 1.028 273 K CA -0.154 56.125 56.287 -0.013 0.000 1.170 273 K CB 0.567 33.057 32.500 -0.017 0.000 0.874 273 K HN -0.081 nan 8.250 nan 0.000 0.507 274 V N 0.149 120.056 119.914 -0.012 0.000 2.407 274 V HA -0.181 3.939 4.120 -0.000 0.000 0.245 274 V C 2.017 178.109 176.094 -0.004 0.000 1.041 274 V CA 1.201 63.495 62.300 -0.010 0.000 1.040 274 V CB 0.155 31.972 31.823 -0.010 0.000 0.671 274 V HN 0.100 nan 8.190 nan 0.000 0.455 275 V N -0.015 119.899 119.914 -0.000 0.000 2.287 275 V HA -0.257 3.863 4.120 -0.000 0.000 0.248 275 V C 2.453 178.550 176.094 0.006 0.000 1.053 275 V CA 2.182 64.485 62.300 0.006 0.000 1.027 275 V CB -0.481 31.348 31.823 0.009 0.000 0.646 275 V HN 0.414 nan 8.190 nan 0.000 0.447 276 V N 0.366 120.281 119.914 0.002 0.000 2.282 276 V HA -0.339 3.781 4.120 -0.000 0.000 0.249 276 V C 2.687 178.779 176.094 -0.002 0.000 1.057 276 V CA 2.326 64.627 62.300 0.001 0.000 1.032 276 V CB -1.329 30.492 31.823 -0.002 0.000 0.645 276 V HN 0.586 nan 8.190 nan 0.000 0.447 277 A N -0.929 121.887 122.820 -0.006 0.000 1.877 277 A HA -0.230 4.090 4.320 -0.000 0.000 0.216 277 A C 2.200 179.779 177.584 -0.009 0.000 1.186 277 A CA 1.642 53.673 52.037 -0.010 0.000 0.620 277 A CB -0.509 18.482 19.000 -0.015 0.000 0.822 277 A HN 0.553 nan 8.150 nan 0.000 0.443 278 Q N 0.129 119.926 119.800 -0.005 0.000 2.062 278 Q HA -0.228 4.112 4.340 -0.000 0.000 0.209 278 Q C 2.058 178.059 176.000 0.001 0.000 0.996 278 Q CA 1.739 57.541 55.803 -0.002 0.000 0.859 278 Q CB -0.481 28.259 28.738 0.004 0.000 0.920 278 Q HN 0.571 nan 8.270 nan 0.000 0.415 279 K N 0.469 120.873 120.400 0.007 0.000 2.020 279 K HA -0.133 4.187 4.320 -0.000 0.000 0.212 279 K C 2.299 178.902 176.600 0.006 0.000 1.050 279 K CA 1.094 57.388 56.287 0.011 0.000 0.929 279 K CB -0.510 31.999 32.500 0.016 0.000 0.714 279 K HN 0.253 nan 8.250 nan 0.000 0.443 280 I N 0.830 121.400 120.570 -0.000 0.000 2.127 280 I HA -0.303 3.867 4.170 -0.000 0.000 0.241 280 I C 2.212 178.323 176.117 -0.009 0.000 1.075 280 I CA 0.949 62.245 61.300 -0.005 0.000 1.334 280 I CB -0.286 37.708 38.000 -0.010 0.000 1.040 280 I HN 0.013 nan 8.210 nan 0.000 0.405 281 L N 0.146 121.361 121.223 -0.013 0.000 2.131 281 L HA -0.177 4.163 4.340 -0.000 0.000 0.210 281 L C 2.260 179.123 176.870 -0.013 0.000 1.092 281 L CA 1.782 56.611 54.840 -0.018 0.000 0.759 281 L CB -0.574 41.471 42.059 -0.023 0.000 0.903 281 L HN 0.192 nan 8.230 nan 0.000 0.435 282 I N -1.768 118.799 120.570 -0.005 0.000 2.233 282 I HA -0.243 3.927 4.170 -0.000 0.000 0.243 282 I C 2.369 178.494 176.117 0.013 0.000 1.093 282 I CA 0.910 62.212 61.300 0.002 0.000 1.380 282 I CB -0.247 37.756 38.000 0.005 0.000 1.067 282 I HN 0.118 nan 8.210 nan 0.000 0.413 283 S N 0.412 116.121 115.700 0.015 0.000 2.383 283 S HA -0.240 4.230 4.470 -0.000 0.000 0.229 283 S C 1.998 176.596 174.600 -0.003 0.000 1.030 283 S CA 1.425 59.637 58.200 0.020 0.000 1.002 283 S CB -0.233 62.976 63.200 0.015 0.000 0.829 283 S HN 0.302 nan 8.310 nan 0.000 0.467 284 K N 0.134 120.527 120.400 -0.012 0.000 2.097 284 K HA -0.034 4.286 4.320 -0.000 0.000 0.205 284 K C 2.189 178.773 176.600 -0.026 0.000 1.050 284 K CA 1.232 57.505 56.287 -0.024 0.000 0.938 284 K CB -0.202 32.283 32.500 -0.025 0.000 0.718 284 K HN 0.348 nan 8.250 nan 0.000 0.442 285 C N 0.389 119.678 119.300 -0.018 0.000 2.466 285 C HA 0.013 4.473 4.460 -0.000 0.000 0.278 285 C C 2.081 177.061 174.990 -0.016 0.000 1.288 285 C CA 0.567 59.575 59.018 -0.018 0.000 1.722 285 C CB -1.129 26.604 27.740 -0.012 0.000 2.017 285 C HN 0.580 nan 8.230 nan 0.000 0.488 286 N N 0.616 119.318 118.700 0.003 0.000 2.223 286 N HA -0.126 4.614 4.740 -0.000 0.000 0.185 286 N C 1.569 177.048 175.510 -0.051 0.000 1.016 286 N CA 1.009 54.074 53.050 0.025 0.000 0.863 286 N CB -0.054 38.505 38.487 0.121 0.000 0.983 286 N HN 0.312 nan 8.380 nan 0.000 0.429 287 V N 1.229 121.096 119.914 -0.078 0.000 2.323 287 V HA -0.125 3.995 4.120 -0.000 0.000 0.244 287 V C 2.169 178.186 176.094 -0.128 0.000 1.041 287 V CA 1.725 63.945 62.300 -0.133 0.000 1.025 287 V CB -0.533 31.227 31.823 -0.106 0.000 0.656 287 V HN 0.318 nan 8.190 nan 0.000 0.451 288 A N -0.690 122.081 122.820 -0.082 0.000 2.209 288 A HA 0.291 4.611 4.320 -0.000 0.000 0.212 288 A C 2.012 179.552 177.584 -0.073 0.000 1.158 288 A CA 1.168 53.164 52.037 -0.067 0.000 0.742 288 A CB -0.668 18.307 19.000 -0.042 0.000 0.790 288 A HN 1.250 nan 8.150 nan 0.000 0.472 289 G N -0.904 107.844 108.800 -0.087 0.000 2.162 289 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.260 289 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.260 289 G C 0.174 175.058 174.900 -0.027 0.000 0.976 289 G CA 0.675 45.726 45.100 -0.081 0.000 0.655 289 G HN 0.602 nan 8.290 nan 0.000 0.533 290 K N 1.115 121.505 120.400 -0.017 0.000 2.098 290 K HA 0.516 4.836 4.320 -0.000 0.000 0.258 290 K C -2.347 174.256 176.600 0.005 0.000 0.973 290 K CA -1.844 54.443 56.287 -0.000 0.000 0.898 290 K CB 1.898 34.397 32.500 -0.002 0.000 1.057 290 K HN 0.067 nan 8.250 nan 0.000 0.447 291 P HA 0.062 nan 4.420 nan 0.000 0.279 291 P C -0.909 176.389 177.300 -0.004 0.000 1.239 291 P CA -0.399 62.709 63.100 0.013 0.000 0.789 291 P CB 1.105 32.821 31.700 0.027 0.000 0.933 292 V N 5.149 125.058 119.914 -0.008 0.000 2.384 292 V HA 0.385 4.505 4.120 -0.000 0.000 0.287 292 V C -0.291 175.782 176.094 -0.035 0.000 1.020 292 V CA -0.982 61.303 62.300 -0.026 0.000 0.850 292 V CB 0.564 32.376 31.823 -0.018 0.000 0.987 292 V HN 0.320 nan 8.190 nan 0.000 0.436 293 I N 7.262 127.789 120.570 -0.071 0.000 2.304 293 I HA 0.303 4.473 4.170 -0.000 0.000 0.291 293 I C 0.345 176.417 176.117 -0.077 0.000 1.018 293 I CA -0.177 61.069 61.300 -0.089 0.000 1.260 293 I CB 1.095 38.982 38.000 -0.188 0.000 1.390 293 I HN 0.659 nan 8.210 nan 0.000 0.475 294 C N 6.559 125.835 119.300 -0.040 0.000 2.416 294 C HA 0.527 4.987 4.460 -0.000 0.000 0.355 294 C C 1.502 176.478 174.990 -0.023 0.000 1.211 294 C CA -0.352 58.652 59.018 -0.024 0.000 1.699 294 C CB -0.812 26.927 27.740 -0.002 0.000 2.310 294 C HN 0.923 nan 8.230 nan 0.000 0.539 295 A N 4.404 127.205 122.820 -0.031 0.000 2.267 295 A HA 0.222 4.542 4.320 -0.000 0.000 0.213 295 A C 1.255 178.842 177.584 0.007 0.000 1.192 295 A CA 0.696 52.721 52.037 -0.020 0.000 0.851 295 A CB -0.480 18.495 19.000 -0.041 0.000 0.881 295 A HN 0.983 nan 8.150 nan 0.000 0.494 296 T N -0.148 114.411 114.554 0.008 0.000 2.902 296 T HA 0.153 4.503 4.350 -0.000 0.000 0.301 296 T C 0.034 174.748 174.700 0.024 0.000 1.012 296 T CA 0.114 62.224 62.100 0.018 0.000 1.151 296 T CB 0.267 69.144 68.868 0.015 0.000 0.946 296 T HN 0.236 nan 8.240 nan 0.000 0.542 297 Q N 4.205 124.022 119.800 0.029 0.000 2.423 297 Q HA 0.420 4.760 4.340 -0.000 0.000 0.235 297 Q C -0.385 175.632 176.000 0.028 0.000 1.100 297 Q CA 0.259 56.081 55.803 0.031 0.000 0.908 297 Q CB 0.092 28.851 28.738 0.036 0.000 1.312 297 Q HN 0.738 nan 8.270 nan 0.000 0.497 298 M N 2.176 121.792 119.600 0.026 0.000 2.528 298 M HA 0.396 4.876 4.480 -0.000 0.000 0.318 298 M C 0.178 176.489 176.300 0.018 0.000 1.195 298 M CA -0.654 54.660 55.300 0.023 0.000 1.000 298 M CB 1.053 33.668 32.600 0.025 0.000 1.615 298 M HN 0.493 nan 8.290 nan 0.000 0.469 299 L N -0.134 121.095 121.223 0.009 0.000 3.898 299 L HA -0.237 4.103 4.340 -0.000 0.000 0.407 299 L C 0.917 177.782 176.870 -0.009 0.000 1.207 299 L CA -0.168 54.667 54.840 -0.008 0.000 0.931 299 L CB -1.463 40.592 42.059 -0.006 0.000 2.014 299 L HN 0.784 nan 8.230 nan 0.000 0.858 300 E N 0.704 120.908 120.200 0.007 0.000 2.150 300 E HA -0.146 4.204 4.350 -0.000 0.000 0.193 300 E C 1.996 178.609 176.600 0.021 0.000 0.985 300 E CA 1.396 57.805 56.400 0.014 0.000 0.814 300 E CB 0.079 29.805 29.700 0.043 0.000 0.752 300 E HN 0.680 nan 8.360 nan 0.000 0.466 301 S N -0.444 115.279 115.700 0.039 0.000 2.442 301 S HA -0.134 4.336 4.470 -0.000 0.000 0.236 301 S C 1.694 176.324 174.600 0.051 0.000 1.007 301 S CA 0.795 59.045 58.200 0.083 0.000 0.965 301 S CB -0.238 62.991 63.200 0.047 0.000 0.773 301 S HN 0.251 nan 8.310 nan 0.000 0.504 302 M N 1.501 121.088 119.600 -0.023 0.000 2.633 302 M HA 0.073 4.553 4.480 -0.000 0.000 0.226 302 M C 1.085 177.364 176.300 -0.035 0.000 1.137 302 M CA 0.425 55.707 55.300 -0.030 0.000 1.020 302 M CB -0.544 32.014 32.600 -0.070 0.000 1.675 302 M HN 0.365 nan 8.290 nan 0.000 0.500 303 T N -0.776 113.647 114.554 -0.218 0.000 3.023 303 T HA -0.055 4.295 4.350 -0.000 0.000 0.266 303 T C 0.610 174.903 174.700 -0.678 0.000 1.093 303 T CA 1.128 62.902 62.100 -0.543 0.000 1.129 303 T CB -0.005 68.337 68.868 -0.876 0.000 0.899 303 T HN 0.466 nan 8.240 nan 0.000 0.491 304 Y N -0.230 120.149 120.300 0.132 0.000 2.540 304 Y HA 0.430 4.980 4.550 -0.000 0.000 0.257 304 Y C 0.498 176.571 175.900 0.288 0.000 1.090 304 Y CA -1.100 57.093 58.100 0.155 0.000 1.242 304 Y CB 0.412 38.916 38.460 0.074 0.000 1.325 304 Y HN 0.009 nan 8.280 nan 0.000 0.544 305 N N 2.190 121.081 118.700 0.319 0.000 2.258 305 N HA 0.212 4.952 4.740 -0.000 0.000 0.299 305 N C -2.370 172.979 175.510 -0.270 0.000 1.047 305 N CA -1.489 51.612 53.050 0.085 0.000 0.814 305 N CB 2.632 41.139 38.487 0.034 0.000 1.413 305 N HN -0.172 nan 8.380 nan 0.000 0.478 306 P HA -0.024 nan 4.420 nan 0.000 0.222 306 P C -0.251 176.800 177.300 -0.414 0.000 1.153 306 P CA 1.057 63.659 63.100 -0.829 0.000 0.798 306 P CB 0.770 32.040 31.700 -0.717 0.000 0.796 307 R N 0.482 120.789 120.500 -0.322 0.000 2.599 307 R HA 0.467 4.807 4.340 -0.000 0.000 0.295 307 R C -2.363 173.747 176.300 -0.317 0.000 0.963 307 R CA -2.114 53.778 56.100 -0.347 0.000 0.883 307 R CB 1.534 31.725 30.300 -0.183 0.000 1.171 307 R HN 0.067 nan 8.270 nan 0.000 0.450 308 P HA 0.118 nan 4.420 nan 0.000 0.289 308 P C -0.436 176.774 177.300 -0.150 0.000 1.299 308 P CA -0.327 62.614 63.100 -0.264 0.000 0.766 308 P CB 0.515 32.025 31.700 -0.317 0.000 1.226 309 T N -3.072 111.429 114.554 -0.088 0.000 2.895 309 T HA 0.311 4.661 4.350 -0.000 0.000 0.283 309 T C 1.199 175.880 174.700 -0.032 0.000 1.014 309 T CA -0.865 61.206 62.100 -0.048 0.000 1.037 309 T CB 1.260 70.111 68.868 -0.028 0.000 1.006 309 T HN 0.441 nan 8.240 nan 0.000 0.468 310 R N 1.210 121.698 120.500 -0.019 0.000 2.285 310 R HA 0.015 4.355 4.340 -0.000 0.000 0.213 310 R C 1.678 177.973 176.300 -0.007 0.000 1.068 310 R CA 1.431 57.526 56.100 -0.008 0.000 1.004 310 R CB -1.400 28.895 30.300 -0.008 0.000 0.873 310 R HN 0.733 nan 8.270 nan 0.000 0.467 311 A N 1.548 124.363 122.820 -0.009 0.000 1.929 311 A HA -0.089 4.231 4.320 -0.000 0.000 0.216 311 A C 1.932 179.515 177.584 -0.001 0.000 1.176 311 A CA 1.114 53.148 52.037 -0.005 0.000 0.628 311 A CB -0.177 18.821 19.000 -0.004 0.000 0.816 311 A HN 0.508 nan 8.150 nan 0.000 0.444 312 E N -0.273 119.925 120.200 -0.004 0.000 2.107 312 E HA -0.070 4.280 4.350 -0.000 0.000 0.191 312 E C 1.925 178.531 176.600 0.009 0.000 0.982 312 E CA 0.999 57.399 56.400 -0.000 0.000 0.809 312 E CB -0.194 29.499 29.700 -0.012 0.000 0.756 312 E HN 0.383 nan 8.360 nan 0.000 0.459 313 V N 1.077 120.997 119.914 0.010 0.000 2.295 313 V HA -0.254 3.865 4.120 -0.000 0.000 0.246 313 V C 2.213 178.322 176.094 0.024 0.000 1.049 313 V CA 1.944 64.262 62.300 0.031 0.000 1.024 313 V CB -0.414 31.433 31.823 0.039 0.000 0.648 313 V HN 0.197 nan 8.190 nan 0.000 0.447 314 S N -0.542 115.163 115.700 0.009 0.000 2.423 314 S HA -0.195 4.275 4.470 -0.000 0.000 0.231 314 S C 1.813 176.418 174.600 0.008 0.000 1.014 314 S CA 1.314 59.514 58.200 -0.001 0.000 0.965 314 S CB -0.377 62.816 63.200 -0.012 0.000 0.785 314 S HN 0.677 nan 8.310 nan 0.000 0.495 315 D N 1.595 122.003 120.400 0.013 0.000 2.084 315 D HA -0.089 4.551 4.640 -0.000 0.000 0.194 315 D C 1.906 178.224 176.300 0.030 0.000 0.990 315 D CA 1.064 55.076 54.000 0.020 0.000 0.826 315 D CB -0.300 40.510 40.800 0.017 0.000 0.971 315 D HN 0.207 nan 8.370 nan 0.000 0.453 316 V N 1.307 121.242 119.914 0.035 0.000 2.295 316 V HA -0.205 3.915 4.120 -0.000 0.000 0.246 316 V C 2.700 178.827 176.094 0.056 0.000 1.049 316 V CA 1.760 64.087 62.300 0.045 0.000 1.024 316 V CB -1.152 30.702 31.823 0.052 0.000 0.648 316 V HN 0.283 nan 8.190 nan 0.000 0.447 317 A N 0.767 123.617 122.820 0.050 0.000 1.869 317 A HA -0.335 3.985 4.320 -0.000 0.000 0.218 317 A C 2.145 179.786 177.584 0.095 0.000 1.203 317 A CA 2.502 54.574 52.037 0.059 0.000 0.638 317 A CB -0.957 18.052 19.000 0.015 0.000 0.831 317 A HN 0.593 nan 8.150 nan 0.000 0.450 318 N N 0.099 118.839 118.700 0.067 0.000 2.061 318 N HA -0.205 4.535 4.740 -0.000 0.000 0.193 318 N C 1.998 177.581 175.510 0.122 0.000 1.030 318 N CA 1.781 54.892 53.050 0.101 0.000 0.856 318 N CB -0.613 37.907 38.487 0.056 0.000 1.023 318 N HN 0.511 nan 8.380 nan 0.000 0.424 319 A N 0.972 123.839 122.820 0.079 0.000 1.892 319 A HA -0.134 4.186 4.320 -0.000 0.000 0.218 319 A C 2.621 180.245 177.584 0.066 0.000 1.188 319 A CA 1.739 53.813 52.037 0.062 0.000 0.631 319 A CB -0.886 18.141 19.000 0.044 0.000 0.822 319 A HN 0.136 nan 8.150 nan 0.000 0.447 320 V N -1.625 118.339 119.914 0.083 0.000 2.244 320 V HA -0.208 3.912 4.120 -0.000 0.000 0.244 320 V C 2.269 178.415 176.094 0.087 0.000 1.042 320 V CA 2.028 64.373 62.300 0.074 0.000 1.006 320 V CB -0.981 30.891 31.823 0.082 0.000 0.641 320 V HN 0.603 nan 8.190 nan 0.000 0.446 321 F N 1.477 121.420 119.950 -0.012 0.000 2.250 321 F HA -0.204 4.323 4.527 0.000 0.000 0.301 321 F C 2.048 177.833 175.800 -0.025 0.000 1.077 321 F CA 1.992 59.980 58.000 -0.020 0.000 1.348 321 F CB -0.485 38.511 39.000 -0.007 0.000 1.040 321 F HN 0.257 nan 8.300 nan 0.000 0.509 322 N N -0.971 117.771 118.700 0.071 0.000 2.300 322 N HA 0.072 4.812 4.740 -0.000 0.000 0.179 322 N C 1.263 176.731 175.510 -0.069 0.000 1.016 322 N CA 0.803 53.853 53.050 0.000 0.000 0.876 322 N CB -0.045 38.476 38.487 0.058 0.000 0.979 322 N HN 0.391 nan 8.380 nan 0.000 0.432 323 G N -0.480 108.283 108.800 -0.061 0.000 2.834 323 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.217 323 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.217 323 G C -0.108 174.775 174.900 -0.028 0.000 0.974 323 G CA -0.156 44.902 45.100 -0.070 0.000 0.826 323 G HN 0.405 nan 8.290 nan 0.000 0.584 324 A N 0.640 123.454 122.820 -0.010 0.000 2.540 324 A HA 0.496 4.816 4.320 -0.000 0.000 0.239 324 A C 1.084 178.668 177.584 0.001 0.000 1.061 324 A CA 1.034 53.071 52.037 -0.000 0.000 0.758 324 A CB 0.287 19.292 19.000 0.008 0.000 0.991 324 A HN 0.232 nan 8.150 nan 0.000 0.502 325 D N 0.507 120.911 120.400 0.007 0.000 2.338 325 D HA 0.098 4.738 4.640 -0.000 0.000 0.208 325 D C -0.161 176.154 176.300 0.024 0.000 0.997 325 D CA 0.754 54.764 54.000 0.016 0.000 0.880 325 D CB 0.229 41.043 40.800 0.023 0.000 0.980 325 D HN 0.461 nan 8.370 nan 0.000 0.509 326 C N 1.558 120.869 119.300 0.018 0.000 2.482 326 C HA 0.527 4.987 4.460 -0.000 0.000 0.317 326 C C 0.116 175.115 174.990 0.017 0.000 1.197 326 C CA -1.079 57.954 59.018 0.024 0.000 1.432 326 C CB 1.588 29.342 27.740 0.024 0.000 2.062 326 C HN 0.100 nan 8.230 nan 0.000 0.471 327 V N 1.943 121.875 119.914 0.030 0.000 2.732 327 V HA 0.745 4.865 4.120 -0.000 0.000 0.310 327 V C -0.422 175.697 176.094 0.040 0.000 1.053 327 V CA -0.549 61.769 62.300 0.030 0.000 0.957 327 V CB 1.765 33.612 31.823 0.039 0.000 1.018 327 V HN 0.892 nan 8.190 nan 0.000 0.452 328 M N 4.504 124.126 119.600 0.036 0.000 2.259 328 M HA 0.576 5.056 4.480 -0.000 0.000 0.304 328 M C -1.862 174.474 176.300 0.059 0.000 1.019 328 M CA -0.570 54.763 55.300 0.055 0.000 0.922 328 M CB 1.678 34.300 32.600 0.037 0.000 1.600 328 M HN 0.805 nan 8.290 nan 0.000 0.433 329 L N 2.961 124.227 121.223 0.071 0.000 2.295 329 L HA 0.439 4.779 4.340 -0.000 0.000 0.285 329 L C 0.632 177.544 176.870 0.070 0.000 1.035 329 L CA -0.181 54.696 54.840 0.062 0.000 0.806 329 L CB 1.841 43.935 42.059 0.059 0.000 1.214 329 L HN 0.763 nan 8.230 nan 0.000 0.426 330 S N 1.571 117.306 115.700 0.059 0.000 3.224 330 S HA 0.186 4.656 4.470 -0.000 0.000 0.171 330 S C 1.617 176.242 174.600 0.043 0.000 0.846 330 S CA 0.406 58.644 58.200 0.064 0.000 1.328 330 S CB -0.056 63.182 63.200 0.064 0.000 0.614 330 S HN 0.895 nan 8.310 nan 0.000 0.578 331 G N 0.833 109.648 108.800 0.025 0.000 2.475 331 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.220 331 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.220 331 G C 1.045 175.926 174.900 -0.032 0.000 1.125 331 G CA 1.362 46.459 45.100 -0.005 0.000 0.755 331 G HN 0.601 nan 8.290 nan 0.000 0.565 332 E N 0.098 120.281 120.200 -0.030 0.000 2.085 332 E HA -0.124 4.226 4.350 -0.000 0.000 0.194 332 E C 2.852 179.442 176.600 -0.015 0.000 0.994 332 E CA 1.911 58.285 56.400 -0.043 0.000 0.801 332 E CB -0.353 29.335 29.700 -0.020 0.000 0.743 332 E HN 0.612 nan 8.360 nan 0.000 0.453 333 T N -2.042 112.520 114.554 0.014 0.000 3.009 333 T HA 0.240 4.590 4.350 -0.000 0.000 0.258 333 T C 2.028 176.745 174.700 0.028 0.000 1.063 333 T CA 0.513 62.631 62.100 0.029 0.000 1.139 333 T CB -0.044 68.854 68.868 0.050 0.000 0.890 333 T HN 0.152 nan 8.240 nan 0.000 0.471 334 A N 3.044 125.881 122.820 0.029 0.000 1.872 334 A HA 0.078 4.398 4.320 -0.000 0.000 0.214 334 A C 2.206 179.797 177.584 0.011 0.000 1.187 334 A CA 1.423 53.482 52.037 0.037 0.000 0.614 334 A CB -0.240 18.788 19.000 0.046 0.000 0.826 334 A HN 0.654 nan 8.150 nan 0.000 0.442 335 K N -0.918 119.471 120.400 -0.019 0.000 2.483 335 K HA 0.236 4.556 4.320 -0.000 0.000 0.206 335 K C 0.560 177.117 176.600 -0.072 0.000 1.086 335 K CA 0.356 56.621 56.287 -0.037 0.000 1.052 335 K CB 0.076 32.552 32.500 -0.039 0.000 0.904 335 K HN 0.244 nan 8.250 nan 0.000 0.557 336 G N 1.742 110.487 108.800 -0.091 0.000 2.572 336 G HA2 0.095 4.055 3.960 -0.000 0.000 0.261 336 G HA3 0.095 4.055 3.960 -0.000 0.000 0.261 336 G C 0.324 175.129 174.900 -0.158 0.000 1.197 336 G CA -0.395 44.612 45.100 -0.155 0.000 0.870 336 G HN 0.114 nan 8.290 nan 0.000 0.548 337 K N -0.713 119.542 120.400 -0.241 0.000 2.103 337 K HA 0.025 4.345 4.320 -0.000 0.000 0.204 337 K C -0.045 176.223 176.600 -0.552 0.000 1.052 337 K CA 1.011 57.040 56.287 -0.429 0.000 0.945 337 K CB -0.120 32.022 32.500 -0.596 0.000 0.722 337 K HN 0.490 nan 8.250 nan 0.000 0.443 338 Y N -0.249 120.029 120.300 -0.037 0.000 2.747 338 Y HA 0.294 4.844 4.550 -0.000 0.000 0.362 338 Y C -2.131 173.766 175.900 -0.005 0.000 1.026 338 Y CA -2.595 55.498 58.100 -0.012 0.000 1.135 338 Y CB 1.235 39.690 38.460 -0.008 0.000 1.175 338 Y HN 0.097 nan 8.280 nan 0.000 0.643 339 P HA -0.110 nan 4.420 nan 0.000 0.216 339 P C 1.086 178.440 177.300 0.089 0.000 1.153 339 P CA 1.455 64.595 63.100 0.067 0.000 0.848 339 P CB 0.568 32.291 31.700 0.038 0.000 0.787 340 N N -0.286 118.474 118.700 0.100 0.000 2.106 340 N HA -0.124 4.616 4.740 -0.000 0.000 0.188 340 N C 1.613 177.192 175.510 0.116 0.000 1.029 340 N CA 1.192 54.298 53.050 0.095 0.000 0.848 340 N CB -0.821 37.717 38.487 0.084 0.000 1.007 340 N HN 0.146 nan 8.380 nan 0.000 0.423 341 E N 0.291 120.580 120.200 0.147 0.000 2.160 341 E HA -0.077 4.273 4.350 -0.000 0.000 0.195 341 E C 1.998 178.724 176.600 0.210 0.000 0.991 341 E CA 0.418 56.922 56.400 0.173 0.000 0.810 341 E CB -0.235 29.541 29.700 0.127 0.000 0.742 341 E HN 0.088 nan 8.360 nan 0.000 0.466 342 V N 0.011 120.012 119.914 0.144 0.000 2.270 342 V HA -0.230 3.890 4.120 -0.000 0.000 0.245 342 V C 2.182 178.359 176.094 0.138 0.000 1.043 342 V CA 1.515 63.886 62.300 0.117 0.000 1.014 342 V CB -0.469 31.397 31.823 0.072 0.000 0.645 342 V HN 0.151 nan 8.190 nan 0.000 0.447 343 V N -0.453 119.528 119.914 0.111 0.000 2.490 343 V HA -0.295 3.825 4.120 -0.000 0.000 0.250 343 V C 2.389 178.539 176.094 0.092 0.000 1.061 343 V CA 1.819 64.175 62.300 0.093 0.000 1.064 343 V CB -0.792 31.076 31.823 0.075 0.000 0.670 343 V HN 0.585 nan 8.190 nan 0.000 0.461 344 Q N -1.393 118.469 119.800 0.102 0.000 2.123 344 Q HA -0.160 4.180 4.340 -0.000 0.000 0.199 344 Q C 2.165 178.169 176.000 0.007 0.000 0.966 344 Q CA 1.804 57.634 55.803 0.047 0.000 0.845 344 Q CB -0.184 28.570 28.738 0.028 0.000 0.907 344 Q HN 0.708 nan 8.270 nan 0.000 0.439 345 Y N -0.301 120.007 120.300 0.013 0.000 2.184 345 Y HA -0.208 4.342 4.550 -0.000 0.000 0.290 345 Y C 2.349 178.258 175.900 0.015 0.000 1.129 345 Y CA 0.858 58.963 58.100 0.009 0.000 1.144 345 Y CB -0.008 38.453 38.460 0.002 0.000 0.995 345 Y HN 0.114 nan 8.280 nan 0.000 0.513 346 M N -0.195 119.510 119.600 0.174 0.000 2.088 346 M HA -0.330 4.150 4.480 -0.000 0.000 0.256 346 M C 2.477 178.818 176.300 0.069 0.000 1.071 346 M CA 2.042 57.405 55.300 0.106 0.000 1.097 346 M CB -1.474 31.178 32.600 0.088 0.000 1.315 346 M HN 0.373 nan 8.290 nan 0.000 0.406 347 A N -0.424 122.427 122.820 0.052 0.000 1.892 347 A HA -0.258 4.062 4.320 -0.000 0.000 0.218 347 A C 2.274 179.863 177.584 0.008 0.000 1.188 347 A CA 2.407 54.462 52.037 0.029 0.000 0.631 347 A CB -0.813 18.200 19.000 0.021 0.000 0.822 347 A HN 0.544 nan 8.150 nan 0.000 0.447 348 R N -0.340 120.146 120.500 -0.023 0.000 2.096 348 R HA -0.036 4.304 4.340 -0.000 0.000 0.235 348 R C 1.855 178.151 176.300 -0.006 0.000 1.127 348 R CA 1.732 57.803 56.100 -0.047 0.000 0.968 348 R CB -0.425 29.790 30.300 -0.143 0.000 0.861 348 R HN 0.566 nan 8.270 nan 0.000 0.440 349 I N -0.415 120.173 120.570 0.028 0.000 2.286 349 I HA -0.276 3.894 4.170 -0.000 0.000 0.245 349 I C 2.188 178.332 176.117 0.045 0.000 1.104 349 I CA 0.721 62.051 61.300 0.049 0.000 1.397 349 I CB -0.215 37.833 38.000 0.079 0.000 1.072 349 I HN 0.280 nan 8.210 nan 0.000 0.417 350 C N 0.372 119.697 119.300 0.042 0.000 2.419 350 C HA -0.112 4.348 4.460 -0.000 0.000 0.281 350 C C 2.603 177.606 174.990 0.021 0.000 1.336 350 C CA 0.428 59.468 59.018 0.036 0.000 1.770 350 C CB -0.873 26.889 27.740 0.036 0.000 1.929 350 C HN 0.476 nan 8.230 nan 0.000 0.509 351 L N 1.020 122.251 121.223 0.013 0.000 2.022 351 L HA -0.034 4.306 4.340 -0.000 0.000 0.204 351 L C 2.396 179.269 176.870 0.006 0.000 1.076 351 L CA 1.945 56.784 54.840 -0.001 0.000 0.749 351 L CB -1.154 40.902 42.059 -0.004 0.000 0.903 351 L HN 0.357 nan 8.230 nan 0.000 0.439 352 E N -0.297 119.912 120.200 0.015 0.000 2.274 352 E HA -0.072 4.278 4.350 -0.000 0.000 0.194 352 E C 1.391 178.022 176.600 0.053 0.000 0.996 352 E CA 0.749 57.165 56.400 0.026 0.000 0.840 352 E CB 0.041 29.750 29.700 0.015 0.000 0.772 352 E HN 0.514 nan 8.360 nan 0.000 0.491 353 A N 0.546 123.404 122.820 0.064 0.000 2.462 353 A HA 0.065 4.385 4.320 -0.000 0.000 0.261 353 A C 1.518 179.206 177.584 0.172 0.000 1.323 353 A CA -0.080 52.022 52.037 0.107 0.000 0.913 353 A CB 0.247 19.302 19.000 0.092 0.000 1.028 353 A HN -0.019 nan 8.150 nan 0.000 0.511 354 Q N -0.683 119.181 119.800 0.107 0.000 2.356 354 Q HA 0.096 4.436 4.340 -0.000 0.000 0.205 354 Q C 1.752 177.799 176.000 0.078 0.000 0.901 354 Q CA 0.835 56.675 55.803 0.062 0.000 0.938 354 Q CB -0.311 28.414 28.738 -0.021 0.000 1.081 354 Q HN 0.552 nan 8.270 nan 0.000 0.517 355 S N 0.030 115.818 115.700 0.145 0.000 2.433 355 S HA -0.366 4.104 4.470 -0.000 0.000 0.270 355 S C 1.708 176.359 174.600 0.085 0.000 1.068 355 S CA 2.196 60.471 58.200 0.125 0.000 1.375 355 S CB -0.669 62.635 63.200 0.174 0.000 1.255 355 S HN 0.625 nan 8.310 nan 0.000 0.442 356 A N 1.272 124.195 122.820 0.173 0.000 2.168 356 A HA 0.261 4.581 4.320 -0.000 0.000 0.215 356 A C 0.947 178.480 177.584 -0.084 0.000 1.152 356 A CA 0.201 52.279 52.037 0.068 0.000 0.716 356 A CB -0.448 18.667 19.000 0.190 0.000 0.794 356 A HN 0.577 nan 8.150 nan 0.000 0.465 357 L N 1.865 122.982 121.223 -0.177 0.000 2.919 357 L HA -0.117 4.223 4.340 -0.000 0.000 0.289 357 L C 0.409 177.159 176.870 -0.200 0.000 1.050 357 L CA 0.791 55.464 54.840 -0.278 0.000 1.071 357 L CB -2.028 39.877 42.059 -0.256 0.000 1.499 357 L HN 0.535 nan 8.230 nan 0.000 0.443 358 N N 3.481 122.056 118.700 -0.207 0.000 2.444 358 N HA 0.099 4.839 4.740 -0.000 0.000 0.255 358 N C 0.921 176.397 175.510 -0.056 0.000 1.255 358 N CA 0.276 53.284 53.050 -0.070 0.000 0.933 358 N CB 0.802 39.289 38.487 0.001 0.000 1.143 358 N HN 0.586 nan 8.380 nan 0.000 0.453 359 E N 1.105 121.409 120.200 0.173 0.000 2.646 359 E HA -0.096 4.254 4.350 -0.000 0.000 0.207 359 E C 0.880 177.688 176.600 0.346 0.000 0.922 359 E CA -0.061 56.550 56.400 0.353 0.000 1.482 359 E CB -0.665 29.257 29.700 0.370 0.000 1.509 359 E HN 0.602 nan 8.360 nan 0.000 0.831 360 Y N 2.939 123.299 120.300 0.099 0.000 2.114 360 Y HA -0.134 4.416 4.550 -0.000 0.000 0.284 360 Y C 2.042 177.860 175.900 -0.137 0.000 1.143 360 Y CA 2.234 60.227 58.100 -0.177 0.000 1.135 360 Y CB -0.015 38.432 38.460 -0.023 0.000 0.980 360 Y HN -0.092 nan 8.280 nan 0.000 0.499 361 V N -0.593 119.280 119.914 -0.068 0.000 3.565 361 V HA -0.073 4.047 4.120 -0.000 0.000 0.260 361 V C 1.842 177.927 176.094 -0.015 0.000 1.231 361 V CA 0.733 62.948 62.300 -0.142 0.000 1.100 361 V CB -0.713 31.074 31.823 -0.059 0.000 0.807 361 V HN 0.404 nan 8.190 nan 0.000 0.454 362 F N 1.392 121.325 119.950 -0.029 0.000 2.171 362 F HA -0.207 4.319 4.527 -0.000 0.000 0.300 362 F C 2.066 177.880 175.800 0.024 0.000 1.090 362 F CA 1.915 59.914 58.000 -0.001 0.000 1.293 362 F CB -0.317 38.704 39.000 0.036 0.000 1.013 362 F HN 0.265 nan 8.300 nan 0.000 0.486 363 F N 1.250 121.195 119.950 -0.009 0.000 2.102 363 F HA -0.189 4.338 4.527 -0.000 0.000 0.298 363 F C 2.074 177.811 175.800 -0.105 0.000 1.105 363 F CA 2.185 60.162 58.000 -0.038 0.000 1.239 363 F CB -1.251 37.785 39.000 0.060 0.000 0.991 363 F HN -0.013 nan 8.300 nan 0.000 0.474 364 N N -0.056 118.264 118.700 -0.632 0.000 2.453 364 N HA -0.148 4.592 4.740 -0.000 0.000 0.183 364 N C 1.898 177.141 175.510 -0.445 0.000 1.041 364 N CA 1.172 53.801 53.050 -0.703 0.000 0.900 364 N CB -0.179 38.044 38.487 -0.440 0.000 0.961 364 N HN 0.514 nan 8.380 nan 0.000 0.443 365 S N -0.482 114.999 115.700 -0.366 0.000 2.377 365 S HA 0.009 4.479 4.470 -0.000 0.000 0.223 365 S C 1.886 176.299 174.600 -0.313 0.000 1.030 365 S CA 0.440 58.462 58.200 -0.297 0.000 0.970 365 S CB -0.449 62.592 63.200 -0.265 0.000 0.830 365 S HN 0.299 nan 8.310 nan 0.000 0.473 366 I N 1.525 121.856 120.570 -0.397 0.000 2.315 366 I HA -0.081 4.089 4.170 -0.000 0.000 0.248 366 I C 2.888 178.897 176.117 -0.180 0.000 1.117 366 I CA 1.071 62.172 61.300 -0.331 0.000 1.404 366 I CB -0.317 37.427 38.000 -0.426 0.000 1.071 366 I HN 0.255 nan 8.210 nan 0.000 0.419 367 K N 1.772 122.059 120.400 -0.188 0.000 2.057 367 K HA -0.181 4.139 4.320 -0.000 0.000 0.207 367 K C 1.971 178.500 176.600 -0.117 0.000 1.049 367 K CA 1.539 57.767 56.287 -0.097 0.000 0.931 367 K CB -0.039 32.234 32.500 -0.379 0.000 0.714 367 K HN 0.265 nan 8.250 nan 0.000 0.440 368 K N 0.262 120.559 120.400 -0.172 0.000 2.362 368 K HA -0.028 4.292 4.320 -0.000 0.000 0.200 368 K C 1.671 178.217 176.600 -0.091 0.000 1.046 368 K CA 0.538 56.747 56.287 -0.130 0.000 0.952 368 K CB 0.124 32.539 32.500 -0.143 0.000 0.753 368 K HN 0.118 nan 8.250 nan 0.000 0.466 369 L N 0.629 121.798 121.223 -0.090 0.000 2.640 369 L HA 0.060 4.400 4.340 -0.000 0.000 0.230 369 L C 0.164 177.019 176.870 -0.026 0.000 1.123 369 L CA -0.121 54.681 54.840 -0.065 0.000 0.900 369 L CB 0.405 42.409 42.059 -0.092 0.000 1.146 369 L HN 0.059 nan 8.230 nan 0.000 0.484 370 Q N -0.409 119.387 119.800 -0.005 0.000 2.230 370 Q HA 0.160 4.500 4.340 -0.000 0.000 0.248 370 Q C -0.657 175.378 176.000 0.059 0.000 0.915 370 Q CA -0.474 55.353 55.803 0.041 0.000 0.900 370 Q CB 1.403 30.190 28.738 0.082 0.000 1.229 370 Q HN 0.062 nan 8.270 nan 0.000 0.439 371 H N 1.800 120.865 119.070 -0.008 0.000 3.017 371 H HA 0.207 4.763 4.556 -0.000 0.000 0.276 371 H C -0.398 174.926 175.328 -0.008 0.000 1.062 371 H CA 0.115 56.156 56.048 -0.011 0.000 1.486 371 H CB -0.220 29.536 29.762 -0.010 0.000 1.507 371 H HN 0.443 nan 8.280 nan 0.000 0.508 372 I N 8.300 128.634 120.570 -0.395 0.000 2.496 372 I HA 0.148 4.318 4.170 -0.000 0.000 0.285 372 I C -1.676 174.128 176.117 -0.522 0.000 1.080 372 I CA -1.782 59.317 61.300 -0.336 0.000 1.404 372 I CB 0.990 38.867 38.000 -0.205 0.000 1.403 372 I HN 0.641 nan 8.210 nan 0.000 0.539 373 P HA 0.262 nan 4.420 nan 0.000 0.293 373 P C -0.697 176.566 177.300 -0.062 0.000 1.300 373 P CA -0.635 62.389 63.100 -0.126 0.000 0.792 373 P CB 0.979 32.635 31.700 -0.073 0.000 0.925 374 M N 1.008 120.584 119.600 -0.041 0.000 2.202 374 M HA 0.387 4.867 4.480 -0.000 0.000 0.316 374 M C 0.390 176.696 176.300 0.010 0.000 1.138 374 M CA -0.461 54.843 55.300 0.006 0.000 1.151 374 M CB 0.190 32.801 32.600 0.017 0.000 1.422 374 M HN 0.321 nan 8.290 nan 0.000 0.471 375 S N 0.987 116.704 115.700 0.028 0.000 2.572 375 S HA 0.372 4.842 4.470 -0.000 0.000 0.279 375 S C 1.133 175.742 174.600 0.014 0.000 1.341 375 S CA -0.313 57.901 58.200 0.023 0.000 1.043 375 S CB 1.057 64.277 63.200 0.034 0.000 0.887 375 S HN 0.852 nan 8.310 nan 0.000 0.516 376 A N 2.304 125.129 122.820 0.009 0.000 1.927 376 A HA -0.227 4.093 4.320 -0.000 0.000 0.220 376 A C 1.964 179.550 177.584 0.002 0.000 1.185 376 A CA 1.991 54.029 52.037 0.001 0.000 0.639 376 A CB -1.162 17.839 19.000 0.003 0.000 0.820 376 A HN 1.026 nan 8.150 nan 0.000 0.451 377 D N -0.729 119.680 120.400 0.015 0.000 2.183 377 D HA -0.176 4.464 4.640 -0.000 0.000 0.203 377 D C 1.703 178.016 176.300 0.022 0.000 0.969 377 D CA 1.417 55.429 54.000 0.020 0.000 0.842 377 D CB -0.620 40.200 40.800 0.033 0.000 0.957 377 D HN 0.668 nan 8.370 nan 0.000 0.484 378 E N 0.459 120.678 120.200 0.032 0.000 2.072 378 E HA -0.045 4.305 4.350 -0.000 0.000 0.190 378 E C 2.169 178.751 176.600 -0.031 0.000 0.982 378 E CA 0.822 57.250 56.400 0.047 0.000 0.803 378 E CB -0.051 29.704 29.700 0.091 0.000 0.755 378 E HN 0.313 nan 8.360 nan 0.000 0.453 379 A N 0.515 123.314 122.820 -0.036 0.000 1.978 379 A HA -0.154 4.166 4.320 -0.000 0.000 0.220 379 A C 2.346 179.881 177.584 -0.081 0.000 1.170 379 A CA 1.280 53.275 52.037 -0.070 0.000 0.636 379 A CB -0.573 18.400 19.000 -0.046 0.000 0.810 379 A HN 0.202 nan 8.150 nan 0.000 0.448 380 V N -0.968 118.912 119.914 -0.055 0.000 2.307 380 V HA -0.307 3.813 4.120 -0.000 0.000 0.245 380 V C 2.668 178.721 176.094 -0.068 0.000 1.045 380 V CA 2.091 64.358 62.300 -0.054 0.000 1.024 380 V CB -1.010 30.791 31.823 -0.036 0.000 0.651 380 V HN 0.723 nan 8.190 nan 0.000 0.449 381 C N 0.561 119.824 119.300 -0.061 0.000 2.432 381 C HA -0.134 4.326 4.460 -0.000 0.000 0.277 381 C C 3.286 178.200 174.990 -0.126 0.000 1.249 381 C CA 1.397 60.386 59.018 -0.048 0.000 1.725 381 C CB -1.125 26.636 27.740 0.035 0.000 2.028 381 C HN 0.772 nan 8.230 nan 0.000 0.477 382 S N 1.016 116.517 115.700 -0.331 0.000 2.356 382 S HA -0.174 4.296 4.470 -0.000 0.000 0.223 382 S C 1.772 176.311 174.600 -0.102 0.000 1.032 382 S CA 2.040 59.958 58.200 -0.469 0.000 1.005 382 S CB -0.771 61.875 63.200 -0.923 0.000 0.867 382 S HN 0.568 nan 8.310 nan 0.000 0.449 383 S N 2.329 117.973 115.700 -0.095 0.000 2.383 383 S HA 0.021 4.491 4.470 -0.000 0.000 0.229 383 S C 2.303 176.876 174.600 -0.046 0.000 1.030 383 S CA 1.127 59.306 58.200 -0.036 0.000 1.002 383 S CB -0.895 62.276 63.200 -0.049 0.000 0.829 383 S HN 0.805 nan 8.310 nan 0.000 0.467 384 A N 1.085 123.863 122.820 -0.070 0.000 1.877 384 A HA -0.045 4.275 4.320 -0.000 0.000 0.216 384 A C 2.332 179.852 177.584 -0.107 0.000 1.186 384 A CA 1.548 53.538 52.037 -0.078 0.000 0.620 384 A CB -0.926 18.032 19.000 -0.069 0.000 0.822 384 A HN 0.347 nan 8.150 nan 0.000 0.443 385 V N 1.083 120.916 119.914 -0.135 0.000 2.332 385 V HA -0.329 3.791 4.120 -0.000 0.000 0.248 385 V C 2.395 178.300 176.094 -0.315 0.000 1.055 385 V CA 2.201 64.350 62.300 -0.252 0.000 1.038 385 V CB -1.164 30.485 31.823 -0.290 0.000 0.651 385 V HN 0.723 nan 8.190 nan 0.000 0.450 386 N N 0.106 118.661 118.700 -0.242 0.000 2.091 386 N HA -0.212 4.527 4.740 -0.000 0.000 0.193 386 N C 1.932 177.452 175.510 0.017 0.000 1.021 386 N CA 1.863 54.896 53.050 -0.028 0.000 0.862 386 N CB -0.020 38.549 38.487 0.137 0.000 1.018 386 N HN 0.487 nan 8.380 nan 0.000 0.429 387 S N -0.027 115.648 115.700 -0.042 0.000 2.402 387 S HA -0.060 4.410 4.470 -0.000 0.000 0.229 387 S C 2.096 176.648 174.600 -0.080 0.000 1.021 387 S CA 0.611 58.777 58.200 -0.056 0.000 0.974 387 S CB -0.091 63.061 63.200 -0.078 0.000 0.800 387 S HN 0.177 nan 8.310 nan 0.000 0.484 388 V N 0.620 120.454 119.914 -0.134 0.000 2.295 388 V HA -0.208 3.912 4.120 -0.000 0.000 0.246 388 V C 1.906 177.884 176.094 -0.193 0.000 1.049 388 V CA 1.712 63.885 62.300 -0.213 0.000 1.024 388 V CB -0.940 30.666 31.823 -0.361 0.000 0.648 388 V HN 0.476 nan 8.190 nan 0.000 0.447 389 Y N 0.656 120.929 120.300 -0.045 0.000 2.242 389 Y HA -0.160 4.390 4.550 -0.000 0.000 0.291 389 Y C 2.575 178.511 175.900 0.061 0.000 1.137 389 Y CA 1.537 59.667 58.100 0.050 0.000 1.181 389 Y CB -0.408 38.125 38.460 0.123 0.000 0.989 389 Y HN 0.318 nan 8.280 nan 0.000 0.527 390 E N -0.696 119.602 120.200 0.163 0.000 2.106 390 E HA -0.148 4.202 4.350 -0.000 0.000 0.192 390 E C 1.939 178.552 176.600 0.021 0.000 0.984 390 E CA 1.754 58.207 56.400 0.089 0.000 0.806 390 E CB -0.161 29.563 29.700 0.041 0.000 0.750 390 E HN 0.550 nan 8.360 nan 0.000 0.458 391 T N -1.815 112.720 114.554 -0.033 0.000 3.044 391 T HA 0.104 4.454 4.350 -0.000 0.000 0.250 391 T C 0.843 175.561 174.700 0.031 0.000 1.081 391 T CA -0.080 61.967 62.100 -0.088 0.000 1.040 391 T CB 0.138 68.858 68.868 -0.248 0.000 0.962 391 T HN 0.008 nan 8.240 nan 0.000 0.506 392 K N 0.958 121.377 120.400 0.032 0.000 3.150 392 K HA -0.128 4.192 4.320 -0.000 0.000 0.267 392 K C -0.492 176.134 176.600 0.043 0.000 1.028 392 K CA 0.322 56.633 56.287 0.040 0.000 0.753 392 K CB -1.629 30.906 32.500 0.057 0.000 1.288 392 K HN 0.850 nan 8.250 nan 0.000 0.473 393 A N -0.052 122.777 122.820 0.016 0.000 2.580 393 A HA 0.571 4.891 4.320 -0.000 0.000 0.301 393 A C -0.093 177.489 177.584 -0.004 0.000 1.054 393 A CA -0.027 52.035 52.037 0.041 0.000 0.751 393 A CB 1.365 20.463 19.000 0.165 0.000 1.275 393 A HN 0.252 nan 8.150 nan 0.000 0.403 394 K N -0.593 119.784 120.400 -0.038 0.000 2.014 394 K HA 0.478 4.798 4.320 -0.000 0.000 0.138 394 K C -0.244 176.299 176.600 -0.094 0.000 2.057 394 K CA 0.956 57.215 56.287 -0.047 0.000 1.047 394 K CB 0.587 33.090 32.500 0.006 0.000 2.102 394 K HN 2.110 nan 8.250 nan 0.000 0.436 395 A N 0.732 123.502 122.820 -0.084 0.000 2.608 395 A HA 0.700 5.020 4.320 -0.000 0.000 0.292 395 A C -1.693 175.848 177.584 -0.072 0.000 1.066 395 A CA -0.710 51.258 52.037 -0.115 0.000 0.676 395 A CB 1.284 20.273 19.000 -0.018 0.000 1.277 395 A HN 0.044 nan 8.150 nan 0.000 0.413 396 M N 1.470 121.024 119.600 -0.078 0.000 2.393 396 M HA 0.500 4.980 4.480 -0.000 0.000 0.316 396 M C -1.274 175.025 176.300 -0.003 0.000 1.087 396 M CA -0.795 54.480 55.300 -0.042 0.000 0.937 396 M CB 2.034 34.598 32.600 -0.060 0.000 1.668 396 M HN 0.405 nan 8.290 nan 0.000 0.438 397 V N 4.105 124.027 119.914 0.013 0.000 2.378 397 V HA 0.459 4.579 4.120 -0.000 0.000 0.288 397 V C -0.547 175.562 176.094 0.025 0.000 1.016 397 V CA -0.661 61.656 62.300 0.028 0.000 0.840 397 V CB 1.869 33.717 31.823 0.043 0.000 0.994 397 V HN 0.619 nan 8.190 nan 0.000 0.431 398 V N 6.554 126.480 119.914 0.021 0.000 2.409 398 V HA 0.448 4.568 4.120 -0.000 0.000 0.291 398 V C -0.153 175.957 176.094 0.026 0.000 1.020 398 V CA -0.586 61.732 62.300 0.029 0.000 0.848 398 V CB 1.797 33.635 31.823 0.024 0.000 0.990 398 V HN 0.647 nan 8.190 nan 0.000 0.430 399 L N 3.978 125.231 121.223 0.050 0.000 2.283 399 L HA 0.591 4.931 4.340 -0.000 0.000 0.287 399 L C 0.294 177.179 176.870 0.024 0.000 1.073 399 L CA 0.355 55.201 54.840 0.010 0.000 0.822 399 L CB 1.022 43.071 42.059 -0.017 0.000 1.186 399 L HN 0.648 nan 8.230 nan 0.000 0.436 400 S N 1.842 117.547 115.700 0.010 0.000 2.575 400 S HA 0.312 4.782 4.470 -0.000 0.000 0.278 400 S C 0.370 174.981 174.600 0.018 0.000 1.139 400 S CA -0.673 57.542 58.200 0.024 0.000 0.954 400 S CB 1.726 64.946 63.200 0.034 0.000 1.054 400 S HN 0.656 nan 8.310 nan 0.000 0.483 401 N N 1.654 120.368 118.700 0.023 0.000 2.258 401 N HA -0.063 4.677 4.740 -0.000 0.000 0.183 401 N C 1.606 177.138 175.510 0.036 0.000 1.029 401 N CA 1.901 54.966 53.050 0.024 0.000 0.857 401 N CB 0.051 38.552 38.487 0.024 0.000 1.008 401 N HN 0.783 nan 8.380 nan 0.000 0.433 402 T N -3.237 111.339 114.554 0.037 0.000 3.065 402 T HA 0.292 4.642 4.350 -0.000 0.000 0.252 402 T C 1.335 176.057 174.700 0.037 0.000 1.099 402 T CA 0.862 62.984 62.100 0.037 0.000 1.063 402 T CB 0.512 69.402 68.868 0.036 0.000 0.948 402 T HN 0.288 nan 8.240 nan 0.000 0.506 403 G N 2.194 111.017 108.800 0.039 0.000 2.225 403 G HA2 -0.391 3.568 3.960 -0.000 0.000 0.254 403 G HA3 -0.391 3.568 3.960 -0.000 0.000 0.254 403 G C 0.971 175.897 174.900 0.044 0.000 0.988 403 G CA 0.672 45.796 45.100 0.039 0.000 0.625 403 G HN 0.681 nan 8.290 nan 0.000 0.527 404 R N 1.163 121.690 120.500 0.044 0.000 2.133 404 R HA -0.157 4.183 4.340 -0.000 0.000 0.247 404 R C 2.507 178.842 176.300 0.057 0.000 1.151 404 R CA 2.717 58.846 56.100 0.049 0.000 0.971 404 R CB -0.506 29.822 30.300 0.047 0.000 0.866 404 R HN 0.502 nan 8.270 nan 0.000 0.447 405 S N 0.442 116.175 115.700 0.055 0.000 2.383 405 S HA -0.042 4.428 4.470 -0.000 0.000 0.227 405 S C 2.089 176.727 174.600 0.063 0.000 1.026 405 S CA 0.881 59.116 58.200 0.059 0.000 0.981 405 S CB -0.155 63.076 63.200 0.051 0.000 0.818 405 S HN 0.574 nan 8.310 nan 0.000 0.472 406 A N 2.064 124.917 122.820 0.055 0.000 1.898 406 A HA -0.051 4.269 4.320 -0.000 0.000 0.216 406 A C 2.213 179.837 177.584 0.067 0.000 1.181 406 A CA 1.429 53.499 52.037 0.054 0.000 0.620 406 A CB -0.491 18.534 19.000 0.042 0.000 0.819 406 A HN 0.322 nan 8.150 nan 0.000 0.442 407 R N -0.954 119.585 120.500 0.065 0.000 2.083 407 R HA -0.104 4.235 4.340 -0.000 0.000 0.237 407 R C 1.909 178.261 176.300 0.087 0.000 1.137 407 R CA 1.489 57.629 56.100 0.067 0.000 0.951 407 R CB -0.664 29.670 30.300 0.056 0.000 0.851 407 R HN 0.427 nan 8.270 nan 0.000 0.434 408 L N -0.430 120.858 121.223 0.108 0.000 2.083 408 L HA -0.156 4.184 4.340 -0.000 0.000 0.209 408 L C 2.101 179.132 176.870 0.269 0.000 1.083 408 L CA 1.399 56.345 54.840 0.176 0.000 0.752 408 L CB -0.473 41.686 42.059 0.167 0.000 0.899 408 L HN 0.036 nan 8.230 nan 0.000 0.433 409 V N -0.830 119.198 119.914 0.189 0.000 2.323 409 V HA -0.224 3.896 4.120 -0.000 0.000 0.244 409 V C 2.660 178.875 176.094 0.202 0.000 1.041 409 V CA 1.388 63.806 62.300 0.197 0.000 1.025 409 V CB -1.089 30.792 31.823 0.097 0.000 0.656 409 V HN 0.476 nan 8.190 nan 0.000 0.451 410 A N 0.320 123.221 122.820 0.136 0.000 1.917 410 A HA -0.344 3.976 4.320 -0.000 0.000 0.219 410 A C 2.294 179.948 177.584 0.117 0.000 1.182 410 A CA 2.522 54.630 52.037 0.118 0.000 0.633 410 A CB -0.634 18.419 19.000 0.089 0.000 0.819 410 A HN 0.582 nan 8.150 nan 0.000 0.448 411 K N -1.491 118.947 120.400 0.064 0.000 2.127 411 K HA -0.210 4.110 4.320 -0.000 0.000 0.208 411 K C 0.708 177.190 176.600 -0.197 0.000 1.047 411 K CA 1.948 58.169 56.287 -0.110 0.000 0.927 411 K CB -0.354 32.002 32.500 -0.241 0.000 0.716 411 K HN 0.571 nan 8.250 nan 0.000 0.450 412 Y N 1.434 121.844 120.300 0.183 0.000 2.645 412 Y HA 0.258 4.808 4.550 -0.000 0.000 0.307 412 Y C -0.441 175.667 175.900 0.347 0.000 1.151 412 Y CA -0.490 57.802 58.100 0.320 0.000 1.291 412 Y CB 0.059 38.764 38.460 0.408 0.000 1.135 412 Y HN -0.078 nan 8.280 nan 0.000 0.523 413 R N 1.435 122.144 120.500 0.348 0.000 2.122 413 R HA -0.186 4.154 4.340 -0.000 0.000 0.223 413 R C -2.754 173.753 176.300 0.344 0.000 0.767 413 R CA -0.096 56.209 56.100 0.341 0.000 0.616 413 R CB -1.142 29.429 30.300 0.450 0.000 1.729 413 R HN 0.265 nan 8.270 nan 0.000 0.548 414 P HA 0.005 nan 4.420 nan 0.000 0.276 414 P C -0.023 177.297 177.300 0.033 0.000 1.244 414 P CA -0.357 62.752 63.100 0.015 0.000 0.801 414 P CB 0.487 32.119 31.700 -0.113 0.000 1.006 415 N N 0.341 118.952 118.700 -0.149 0.000 2.346 415 N HA 0.044 4.784 4.740 -0.000 0.000 0.225 415 N C -0.090 175.418 175.510 -0.003 0.000 1.144 415 N CA -0.399 52.658 53.050 0.012 0.000 0.837 415 N CB -1.210 37.319 38.487 0.071 0.000 1.069 415 N HN 0.421 nan 8.380 nan 0.000 0.487 416 C N -2.253 116.987 119.300 -0.100 0.000 3.080 416 C HA 0.771 5.231 4.460 -0.000 0.000 0.307 416 C C -2.992 171.688 174.990 -0.517 0.000 1.311 416 C CA -2.068 56.788 59.018 -0.269 0.000 1.533 416 C CB 1.624 29.211 27.740 -0.256 0.000 1.970 416 C HN 0.041 nan 8.230 nan 0.000 0.467 417 P HA 0.442 nan 4.420 nan 0.000 0.271 417 P C -0.906 176.156 177.300 -0.397 0.000 1.216 417 P CA 0.152 62.671 63.100 -0.969 0.000 0.776 417 P CB 0.268 31.115 31.700 -1.422 0.000 0.881 418 I N 2.441 122.892 120.570 -0.197 0.000 2.336 418 I HA 0.228 4.398 4.170 -0.000 0.000 0.292 418 I C -0.215 175.892 176.117 -0.017 0.000 0.991 418 I CA -0.423 60.833 61.300 -0.073 0.000 1.227 418 I CB 1.398 39.387 38.000 -0.018 0.000 1.366 418 I HN -0.002 nan 8.210 nan 0.000 0.466 419 V N 5.850 125.770 119.914 0.011 0.000 2.350 419 V HA 0.253 4.373 4.120 -0.000 0.000 0.285 419 V C -0.322 175.766 176.094 -0.010 0.000 1.014 419 V CA -0.631 61.684 62.300 0.025 0.000 0.831 419 V CB 1.441 33.336 31.823 0.121 0.000 1.000 419 V HN 0.896 nan 8.190 nan 0.000 0.433 420 C N 6.470 125.750 119.300 -0.033 0.000 2.369 420 C HA 0.719 5.179 4.460 -0.000 0.000 0.358 420 C C 0.142 175.106 174.990 -0.042 0.000 1.274 420 C CA -0.141 58.864 59.018 -0.022 0.000 1.935 420 C CB 0.460 28.198 27.740 -0.003 0.000 2.431 420 C HN 0.694 nan 8.230 nan 0.000 0.545 421 V N 6.772 126.668 119.914 -0.030 0.000 2.384 421 V HA 0.582 4.702 4.120 -0.000 0.000 0.287 421 V C 0.219 176.297 176.094 -0.026 0.000 1.020 421 V CA 0.040 62.317 62.300 -0.038 0.000 0.850 421 V CB 1.798 33.578 31.823 -0.072 0.000 0.987 421 V HN 1.057 nan 8.190 nan 0.000 0.436 422 T N 1.936 116.500 114.554 0.017 0.000 2.916 422 T HA 0.311 4.661 4.350 -0.000 0.000 0.305 422 T C 0.815 175.550 174.700 0.059 0.000 1.119 422 T CA -0.029 62.097 62.100 0.044 0.000 1.008 422 T CB 1.886 70.806 68.868 0.087 0.000 1.129 422 T HN 0.772 nan 8.240 nan 0.000 0.480 423 T N -0.848 113.726 114.554 0.033 0.000 3.065 423 T HA 0.195 4.545 4.350 -0.000 0.000 0.252 423 T C 0.656 175.502 174.700 0.242 0.000 1.099 423 T CA -0.008 62.103 62.100 0.017 0.000 1.063 423 T CB 0.128 68.976 68.868 -0.033 0.000 0.948 423 T HN 0.299 nan 8.240 nan 0.000 0.506 424 R N 0.900 121.527 120.500 0.212 0.000 2.221 424 R HA 0.407 4.747 4.340 -0.000 0.000 0.327 424 R C 0.408 176.814 176.300 0.177 0.000 1.033 424 R CA -0.547 55.662 56.100 0.182 0.000 0.887 424 R CB 1.285 31.639 30.300 0.089 0.000 1.057 424 R HN 0.079 nan 8.270 nan 0.000 0.455 425 L N 3.518 124.782 121.223 0.069 0.000 2.156 425 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 425 L C 2.465 179.283 176.870 -0.087 0.000 1.095 425 L CA 1.770 56.510 54.840 -0.167 0.000 0.770 425 L CB -0.394 41.451 42.059 -0.356 0.000 0.914 425 L HN 0.638 nan 8.230 nan 0.000 0.439 426 Q N -1.409 118.369 119.800 -0.036 0.000 2.135 426 Q HA -0.213 4.127 4.340 -0.000 0.000 0.204 426 Q C 1.834 177.831 176.000 -0.004 0.000 0.981 426 Q CA 2.388 58.176 55.803 -0.024 0.000 0.856 426 Q CB -0.098 28.632 28.738 -0.014 0.000 0.902 426 Q HN 0.464 nan 8.270 nan 0.000 0.425 427 T N -0.135 114.431 114.554 0.021 0.000 2.788 427 T HA -0.177 4.173 4.350 -0.000 0.000 0.268 427 T C 1.920 176.636 174.700 0.027 0.000 1.044 427 T CA 1.185 63.304 62.100 0.032 0.000 1.139 427 T CB -0.544 68.354 68.868 0.049 0.000 0.867 427 T HN 0.431 nan 8.240 nan 0.000 0.454 428 C N 1.393 120.707 119.300 0.023 0.000 2.393 428 C HA -0.098 4.362 4.460 -0.000 0.000 0.276 428 C C 2.899 177.889 174.990 -0.000 0.000 1.215 428 C CA 0.680 59.704 59.018 0.010 0.000 1.743 428 C CB -0.979 26.750 27.740 -0.019 0.000 2.044 428 C HN 0.560 nan 8.230 nan 0.000 0.464 429 R N 0.249 120.739 120.500 -0.016 0.000 2.080 429 R HA -0.172 4.168 4.340 -0.000 0.000 0.236 429 R C 2.315 178.620 176.300 0.008 0.000 1.137 429 R CA 1.548 57.641 56.100 -0.011 0.000 0.943 429 R CB -0.517 29.766 30.300 -0.028 0.000 0.846 429 R HN 0.670 nan 8.270 nan 0.000 0.431 430 Q N 0.438 120.244 119.800 0.009 0.000 2.297 430 Q HA -0.114 4.226 4.340 -0.000 0.000 0.208 430 Q C 1.928 177.950 176.000 0.037 0.000 0.981 430 Q CA 0.890 56.707 55.803 0.022 0.000 0.876 430 Q CB -0.017 28.733 28.738 0.020 0.000 0.921 430 Q HN 0.395 nan 8.270 nan 0.000 0.446 431 L N 0.541 121.785 121.223 0.034 0.000 2.554 431 L HA -0.063 4.277 4.340 -0.000 0.000 0.226 431 L C 1.606 178.506 176.870 0.050 0.000 1.137 431 L CA -0.121 54.744 54.840 0.042 0.000 0.863 431 L CB -0.172 41.909 42.059 0.036 0.000 0.985 431 L HN 0.219 nan 8.230 nan 0.000 0.451 432 N N 1.220 119.950 118.700 0.050 0.000 2.104 432 N HA -0.191 4.549 4.740 -0.000 0.000 0.190 432 N C 1.714 177.266 175.510 0.070 0.000 1.024 432 N CA 1.710 54.795 53.050 0.059 0.000 0.853 432 N CB -0.218 38.302 38.487 0.056 0.000 1.008 432 N HN 0.514 nan 8.380 nan 0.000 0.424 433 I N -1.578 119.038 120.570 0.076 0.000 3.605 433 I HA 0.093 4.263 4.170 -0.000 0.000 0.301 433 I C -0.348 175.809 176.117 0.068 0.000 1.267 433 I CA 0.360 61.709 61.300 0.082 0.000 1.236 433 I CB -0.398 37.666 38.000 0.107 0.000 1.010 433 I HN -0.260 nan 8.210 nan 0.000 0.491 434 T N 1.982 116.574 114.554 0.064 0.000 2.770 434 T HA 0.217 4.567 4.350 -0.000 0.000 0.297 434 T C -0.179 174.562 174.700 0.069 0.000 0.997 434 T CA -0.255 61.883 62.100 0.062 0.000 0.949 434 T CB 1.233 70.137 68.868 0.059 0.000 0.941 434 T HN 0.354 nan 8.240 nan 0.000 0.457 435 Q N 1.683 121.524 119.800 0.067 0.000 2.349 435 Q HA 0.313 4.653 4.340 -0.000 0.000 0.287 435 Q C 1.330 177.388 176.000 0.097 0.000 1.044 435 Q CA 1.322 57.170 55.803 0.074 0.000 0.918 435 Q CB 0.090 28.862 28.738 0.058 0.000 1.242 435 Q HN 1.046 nan 8.270 nan 0.000 0.405 436 G N 1.780 110.658 108.800 0.129 0.000 2.166 436 G HA2 -0.245 3.714 3.960 -0.000 0.000 0.260 436 G HA3 -0.245 3.714 3.960 -0.000 0.000 0.260 436 G C -0.301 174.670 174.900 0.119 0.000 0.986 436 G CA 0.286 45.498 45.100 0.187 0.000 0.683 436 G HN 0.504 nan 8.290 nan 0.000 0.527 437 V N -0.032 119.939 119.914 0.096 0.000 2.495 437 V HA 0.652 4.772 4.120 -0.000 0.000 0.298 437 V C 0.025 176.163 176.094 0.073 0.000 1.031 437 V CA -0.726 61.613 62.300 0.066 0.000 0.871 437 V CB 1.931 33.786 31.823 0.055 0.000 0.988 437 V HN 0.359 nan 8.190 nan 0.000 0.432 438 E N 1.755 121.990 120.200 0.058 0.000 2.266 438 E HA 0.563 4.913 4.350 -0.000 0.000 0.268 438 E C -1.053 175.500 176.600 -0.077 0.000 0.879 438 E CA -0.532 55.892 56.400 0.040 0.000 0.762 438 E CB 2.246 32.039 29.700 0.156 0.000 1.199 438 E HN 0.666 nan 8.360 nan 0.000 0.422 439 S N 1.066 116.704 115.700 -0.102 0.000 2.554 439 S HA 0.418 4.888 4.470 -0.000 0.000 0.278 439 S C -0.525 173.918 174.600 -0.263 0.000 1.242 439 S CA -0.718 57.411 58.200 -0.118 0.000 1.051 439 S CB 1.285 64.467 63.200 -0.030 0.000 0.986 439 S HN 0.229 nan 8.310 nan 0.000 0.502 440 V N 3.732 123.529 119.914 -0.194 0.000 2.409 440 V HA 0.337 4.457 4.120 -0.000 0.000 0.290 440 V C -0.791 175.333 176.094 0.052 0.000 1.017 440 V CA -0.719 61.486 62.300 -0.158 0.000 0.841 440 V CB 1.019 32.705 31.823 -0.227 0.000 1.003 440 V HN 0.845 nan 8.190 nan 0.000 0.426 441 F N 6.091 126.016 119.950 -0.043 0.000 2.467 441 F HA 0.520 5.047 4.527 -0.000 0.000 0.362 441 F C -0.629 175.204 175.800 0.055 0.000 1.090 441 F CA -0.861 57.140 58.000 0.000 0.000 1.202 441 F CB 0.611 39.596 39.000 -0.026 0.000 1.113 441 F HN 0.423 nan 8.300 nan 0.000 0.541 442 F N 6.441 125.939 119.950 -0.754 0.000 2.403 442 F HA 0.233 4.760 4.527 -0.000 0.000 0.355 442 F C -0.054 175.137 175.800 -1.015 0.000 1.119 442 F CA -0.906 56.683 58.000 -0.685 0.000 1.007 442 F CB 0.324 39.100 39.000 -0.373 0.000 1.194 442 F HN 0.380 nan 8.300 nan 0.000 0.443 443 D N 5.199 124.884 120.400 -1.191 0.000 2.385 443 D HA 0.118 4.758 4.640 -0.000 0.000 0.260 443 D C 1.136 177.152 176.300 -0.474 0.000 1.326 443 D CA 0.441 53.964 54.000 -0.795 0.000 1.023 443 D CB 1.200 41.731 40.800 -0.448 0.000 1.083 443 D HN 0.732 nan 8.370 nan 0.000 0.517 444 A N 3.993 126.647 122.820 -0.277 0.000 1.978 444 A HA -0.228 4.092 4.320 -0.000 0.000 0.220 444 A C 1.666 179.174 177.584 -0.128 0.000 1.170 444 A CA 1.543 53.497 52.037 -0.137 0.000 0.636 444 A CB -0.017 18.932 19.000 -0.086 0.000 0.810 444 A HN 0.472 nan 8.150 nan 0.000 0.448 445 D N -0.597 119.739 120.400 -0.106 0.000 2.107 445 D HA -0.033 4.607 4.640 -0.000 0.000 0.204 445 D C 2.065 178.299 176.300 -0.110 0.000 0.978 445 D CA 1.054 55.008 54.000 -0.077 0.000 0.852 445 D CB -0.126 40.654 40.800 -0.033 0.000 1.008 445 D HN 0.161 nan 8.370 nan 0.000 0.458 446 K N 0.365 120.685 120.400 -0.133 0.000 2.057 446 K HA -0.023 4.297 4.320 -0.000 0.000 0.206 446 K C 2.342 178.814 176.600 -0.213 0.000 1.050 446 K CA 0.867 57.067 56.287 -0.144 0.000 0.935 446 K CB -0.833 31.593 32.500 -0.124 0.000 0.715 446 K HN 0.238 nan 8.250 nan 0.000 0.439 447 L N -0.151 120.871 121.223 -0.336 0.000 1.982 447 L HA 0.117 4.457 4.340 -0.000 0.000 0.206 447 L C 1.911 178.551 176.870 -0.383 0.000 1.078 447 L CA 2.588 57.168 54.840 -0.433 0.000 0.749 447 L CB -1.841 39.734 42.059 -0.806 0.000 0.894 447 L HN 0.461 nan 8.230 nan 0.000 0.436 448 G N -1.240 107.381 108.800 -0.298 0.000 3.050 448 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.234 448 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.234 448 G C 0.196 174.953 174.900 -0.239 0.000 1.521 448 G CA 0.675 45.634 45.100 -0.235 0.000 1.090 448 G HN 2.261 nan 8.290 nan 0.000 0.556 449 H N 0.971 119.966 119.070 -0.125 0.000 3.034 449 H HA 0.616 5.172 4.556 -0.000 0.000 0.324 449 H C -0.218 174.976 175.328 -0.224 0.000 1.015 449 H CA 0.520 56.472 56.048 -0.159 0.000 1.429 449 H CB 1.033 30.728 29.762 -0.112 0.000 1.429 449 H HN 0.595 nan 8.280 nan 0.000 0.585 450 D N 2.798 123.093 120.400 -0.174 0.000 3.709 450 D HA 0.068 4.708 4.640 -0.000 0.000 0.246 450 D C -0.801 175.308 176.300 -0.319 0.000 1.445 450 D CA -0.305 53.570 54.000 -0.208 0.000 0.861 450 D CB -0.760 39.831 40.800 -0.349 0.000 1.433 450 D HN 0.736 nan 8.370 nan 0.000 0.723 451 W N 0.494 121.781 121.300 -0.022 0.000 3.256 451 W HA 0.258 4.918 4.660 -0.000 0.000 0.269 451 W C 2.183 178.674 176.519 -0.046 0.000 1.310 451 W CA -0.013 57.306 57.345 -0.043 0.000 1.673 451 W CB 0.441 29.889 29.460 -0.021 0.000 1.115 451 W HN 0.360 nan 8.180 nan 0.000 0.686 452 G N 1.765 110.651 108.800 0.142 0.000 2.766 452 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.222 452 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.222 452 G C 0.891 175.819 174.900 0.048 0.000 1.225 452 G CA 0.753 45.909 45.100 0.094 0.000 0.784 452 G HN 0.214 nan 8.290 nan 0.000 0.631 453 K N 1.424 121.799 120.400 -0.042 0.000 2.535 453 K HA 0.231 4.551 4.320 -0.000 0.000 0.242 453 K C 0.930 177.476 176.600 -0.090 0.000 1.210 453 K CA -0.293 55.924 56.287 -0.117 0.000 1.178 453 K CB 0.845 33.169 32.500 -0.293 0.000 1.778 453 K HN 0.378 nan 8.250 nan 0.000 0.372 454 E N 0.910 121.127 120.200 0.027 0.000 2.007 454 E HA -0.230 4.120 4.350 -0.000 0.000 0.203 454 E C 1.297 177.896 176.600 -0.001 0.000 1.020 454 E CA 1.873 58.295 56.400 0.037 0.000 0.845 454 E CB -0.203 29.551 29.700 0.089 0.000 0.779 454 E HN 0.536 nan 8.360 nan 0.000 0.466 455 H N 0.616 119.645 119.070 -0.069 0.000 2.319 455 H HA -0.128 4.428 4.556 -0.000 0.000 0.297 455 H C 2.325 177.547 175.328 -0.177 0.000 1.097 455 H CA 2.220 58.247 56.048 -0.035 0.000 1.285 455 H CB -0.367 29.467 29.762 0.120 0.000 1.368 455 H HN 0.251 nan 8.280 nan 0.000 0.495 456 R N 0.602 120.829 120.500 -0.455 0.000 2.148 456 R HA -0.032 4.308 4.340 -0.000 0.000 0.227 456 R C 1.798 177.946 176.300 -0.252 0.000 1.103 456 R CA 1.318 57.002 56.100 -0.692 0.000 0.983 456 R CB -0.644 28.924 30.300 -1.221 0.000 0.874 456 R HN 0.136 nan 8.270 nan 0.000 0.451 457 V N 1.878 121.691 119.914 -0.168 0.000 2.261 457 V HA -0.213 3.907 4.120 -0.000 0.000 0.246 457 V C 2.737 178.822 176.094 -0.014 0.000 1.047 457 V CA 2.027 64.292 62.300 -0.059 0.000 1.015 457 V CB -0.811 31.000 31.823 -0.020 0.000 0.642 457 V HN 0.584 nan 8.190 nan 0.000 0.446 458 A N -0.038 122.773 122.820 -0.016 0.000 1.978 458 A HA -0.146 4.174 4.320 -0.000 0.000 0.220 458 A C 2.390 180.006 177.584 0.053 0.000 1.170 458 A CA 2.092 54.136 52.037 0.011 0.000 0.636 458 A CB -0.719 18.270 19.000 -0.019 0.000 0.810 458 A HN 0.596 nan 8.150 nan 0.000 0.448 459 A N -0.543 122.322 122.820 0.074 0.000 1.933 459 A HA 0.141 4.461 4.320 -0.000 0.000 0.218 459 A C 2.356 180.018 177.584 0.130 0.000 1.175 459 A CA 1.863 53.982 52.037 0.137 0.000 0.628 459 A CB -1.220 17.920 19.000 0.233 0.000 0.814 459 A HN 0.677 nan 8.150 nan 0.000 0.444 460 G N -0.493 108.357 108.800 0.084 0.000 2.404 460 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.215 460 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.215 460 G C 1.486 176.486 174.900 0.165 0.000 1.174 460 G CA 1.239 46.402 45.100 0.106 0.000 0.780 460 G HN 0.326 nan 8.290 nan 0.000 0.537 461 V N 0.747 120.726 119.914 0.108 0.000 2.407 461 V HA -0.143 3.977 4.120 -0.000 0.000 0.248 461 V C 2.672 178.820 176.094 0.090 0.000 1.055 461 V CA 1.827 64.183 62.300 0.093 0.000 1.049 461 V CB -0.433 31.423 31.823 0.054 0.000 0.662 461 V HN 0.324 nan 8.190 nan 0.000 0.455 462 E N -0.346 119.910 120.200 0.093 0.000 2.097 462 E HA -0.264 4.086 4.350 -0.000 0.000 0.196 462 E C 2.030 178.684 176.600 0.090 0.000 1.000 462 E CA 1.884 58.332 56.400 0.079 0.000 0.804 462 E CB -0.244 29.511 29.700 0.092 0.000 0.740 462 E HN 0.668 nan 8.360 nan 0.000 0.454 463 F N 1.093 121.046 119.950 0.006 0.000 2.060 463 F HA -0.115 4.412 4.527 -0.000 0.000 0.295 463 F C 2.333 178.098 175.800 -0.058 0.000 1.120 463 F CA 1.581 59.576 58.000 -0.008 0.000 1.205 463 F CB -0.452 38.567 39.000 0.032 0.000 0.986 463 F HN -0.042 nan 8.300 nan 0.000 0.470 464 A N 0.156 123.056 122.820 0.133 0.000 1.940 464 A HA -0.264 4.056 4.320 -0.000 0.000 0.219 464 A C 2.282 179.752 177.584 -0.190 0.000 1.176 464 A CA 2.040 54.107 52.037 0.049 0.000 0.631 464 A CB -0.906 18.265 19.000 0.283 0.000 0.814 464 A HN 0.500 nan 8.150 nan 0.000 0.446 465 K N 0.093 120.427 120.400 -0.109 0.000 2.026 465 K HA -0.156 4.164 4.320 -0.000 0.000 0.208 465 K C 2.414 178.886 176.600 -0.213 0.000 1.048 465 K CA 1.780 57.995 56.287 -0.120 0.000 0.929 465 K CB -0.184 32.281 32.500 -0.059 0.000 0.713 465 K HN 0.660 nan 8.250 nan 0.000 0.439 466 S N 0.491 116.035 115.700 -0.261 0.000 2.402 466 S HA -0.045 4.425 4.470 -0.000 0.000 0.229 466 S C 1.628 175.980 174.600 -0.414 0.000 1.021 466 S CA 0.766 58.796 58.200 -0.284 0.000 0.974 466 S CB -0.053 63.002 63.200 -0.241 0.000 0.800 466 S HN 0.147 nan 8.310 nan 0.000 0.484 467 K N 1.079 121.066 120.400 -0.688 0.000 2.525 467 K HA 0.144 4.464 4.320 -0.000 0.000 0.192 467 K C 1.294 177.434 176.600 -0.767 0.000 1.029 467 K CA 0.631 56.403 56.287 -0.859 0.000 1.029 467 K CB -0.421 31.248 32.500 -1.384 0.000 0.814 467 K HN 0.667 nan 8.250 nan 0.000 0.503 468 G N 1.026 109.523 108.800 -0.505 0.000 2.136 468 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.242 468 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.242 468 G C 0.496 175.349 174.900 -0.079 0.000 0.989 468 G CA 0.289 45.248 45.100 -0.236 0.000 0.682 468 G HN 0.220 nan 8.290 nan 0.000 0.522 469 Y N -0.188 120.070 120.300 -0.070 0.000 2.206 469 Y HA 0.314 4.864 4.550 -0.000 0.000 0.292 469 Y C 1.847 177.719 175.900 -0.047 0.000 1.123 469 Y CA 0.513 58.578 58.100 -0.058 0.000 1.142 469 Y CB -0.523 37.889 38.460 -0.081 0.000 1.006 469 Y HN 0.688 nan 8.280 nan 0.000 0.518 470 V N -0.655 119.315 119.914 0.094 0.000 2.444 470 V HA 0.638 4.758 4.120 -0.000 0.000 0.294 470 V C -0.843 175.248 176.094 -0.005 0.000 1.022 470 V CA -1.211 61.114 62.300 0.040 0.000 0.850 470 V CB 1.486 33.337 31.823 0.046 0.000 0.992 470 V HN -0.049 nan 8.190 nan 0.000 0.426 471 Q N 1.682 121.472 119.800 -0.016 0.000 2.195 471 Q HA 0.570 4.910 4.340 -0.000 0.000 0.250 471 Q C 0.247 176.220 176.000 -0.045 0.000 0.988 471 Q CA -0.484 55.301 55.803 -0.031 0.000 0.911 471 Q CB 1.201 29.922 28.738 -0.028 0.000 1.258 471 Q HN 0.867 nan 8.270 nan 0.000 0.475 472 T N 1.074 115.600 114.554 -0.046 0.000 2.831 472 T HA 0.343 4.693 4.350 -0.000 0.000 0.291 472 T C 0.906 175.559 174.700 -0.079 0.000 0.981 472 T CA 1.216 63.282 62.100 -0.057 0.000 1.174 472 T CB -0.266 68.575 68.868 -0.045 0.000 0.929 472 T HN 0.828 nan 8.240 nan 0.000 0.532 473 G N 3.541 112.270 108.800 -0.118 0.000 2.253 473 G HA2 -0.163 3.796 3.960 -0.000 0.000 0.209 473 G HA3 -0.163 3.796 3.960 -0.000 0.000 0.209 473 G C -0.153 174.576 174.900 -0.285 0.000 0.997 473 G CA -0.542 44.450 45.100 -0.179 0.000 0.640 473 G HN 0.633 nan 8.290 nan 0.000 0.496 474 D N 0.131 120.407 120.400 -0.208 0.000 2.344 474 D HA 0.549 5.189 4.640 -0.000 0.000 0.244 474 D C 0.068 176.214 176.300 -0.258 0.000 1.134 474 D CA 0.180 54.061 54.000 -0.197 0.000 0.930 474 D CB 0.507 41.267 40.800 -0.066 0.000 1.175 474 D HN 0.189 nan 8.370 nan 0.000 0.437 475 Y N -0.334 119.959 120.300 -0.012 0.000 2.376 475 Y HA 0.380 4.930 4.550 -0.000 0.000 0.325 475 Y C 0.372 176.258 175.900 -0.022 0.000 1.199 475 Y CA -0.794 57.296 58.100 -0.016 0.000 1.206 475 Y CB 1.497 39.944 38.460 -0.021 0.000 1.229 475 Y HN 0.253 nan 8.280 nan 0.000 0.480 476 C N 2.889 122.289 119.300 0.167 0.000 2.551 476 C HA 0.780 5.240 4.460 -0.000 0.000 0.332 476 C C -1.247 173.772 174.990 0.048 0.000 1.139 476 C CA -0.636 58.427 59.018 0.075 0.000 1.328 476 C CB -0.209 27.567 27.740 0.059 0.000 1.903 476 C HN 0.613 nan 8.230 nan 0.000 0.459 477 V N 6.467 126.384 119.914 0.006 0.000 2.439 477 V HA 0.599 4.719 4.120 -0.000 0.000 0.282 477 V C 0.012 176.096 176.094 -0.017 0.000 1.039 477 V CA -0.268 62.020 62.300 -0.020 0.000 0.913 477 V CB 1.494 33.285 31.823 -0.055 0.000 0.983 477 V HN 0.743 nan 8.190 nan 0.000 0.460 478 V N 6.071 125.972 119.914 -0.022 0.000 2.628 478 V HA 0.614 4.734 4.120 -0.000 0.000 0.306 478 V C -0.535 175.516 176.094 -0.071 0.000 1.045 478 V CA -0.555 61.737 62.300 -0.012 0.000 0.905 478 V CB 1.943 33.782 31.823 0.026 0.000 0.997 478 V HN 0.706 nan 8.190 nan 0.000 0.436 479 I N 3.093 123.638 120.570 -0.042 0.000 2.533 479 I HA 0.455 4.625 4.170 -0.000 0.000 0.290 479 I C -0.712 175.409 176.117 0.008 0.000 1.056 479 I CA -0.298 60.947 61.300 -0.092 0.000 1.057 479 I CB 1.941 39.919 38.000 -0.036 0.000 1.240 479 I HN 0.749 nan 8.210 nan 0.000 0.423 480 H N 4.858 123.929 119.070 0.002 0.000 2.530 480 H HA 0.816 5.372 4.556 -0.000 0.000 0.246 480 H C -0.353 174.986 175.328 0.019 0.000 1.346 480 H CA -0.789 55.264 56.048 0.009 0.000 1.424 480 H CB 0.584 30.357 29.762 0.017 0.000 1.445 480 H HN 0.637 nan 8.280 nan 0.000 0.511 481 A N 1.963 124.832 122.820 0.083 0.000 2.281 481 A HA 0.426 4.746 4.320 -0.000 0.000 0.329 481 A C -0.300 177.323 177.584 0.065 0.000 1.122 481 A CA -0.767 51.303 52.037 0.054 0.000 0.850 481 A CB 1.044 20.060 19.000 0.027 0.000 1.207 481 A HN 0.558 nan 8.150 nan 0.000 0.495 491 Q N 0.543 120.295 119.800 -0.079 0.000 2.345 491 Q HA 0.697 5.037 4.340 -0.000 0.000 0.268 491 Q C -0.702 175.144 176.000 -0.257 0.000 1.054 491 Q CA -0.538 55.157 55.803 -0.180 0.000 0.835 491 Q CB 2.553 31.130 28.738 -0.269 0.000 1.339 491 Q HN 0.305 nan 8.270 nan 0.000 0.447 492 T N 1.353 115.785 114.554 -0.203 0.000 2.933 492 T HA 0.629 4.979 4.350 -0.000 0.000 0.305 492 T C -1.070 173.550 174.700 -0.134 0.000 1.092 492 T CA -0.783 61.216 62.100 -0.167 0.000 1.008 492 T CB 2.044 70.849 68.868 -0.105 0.000 1.102 492 T HN 0.502 nan 8.240 nan 0.000 0.469 493 R N 1.716 122.150 120.500 -0.109 0.000 2.548 493 R HA 0.648 4.988 4.340 -0.000 0.000 0.280 493 R C -1.816 174.462 176.300 -0.037 0.000 1.061 493 R CA -0.705 55.359 56.100 -0.060 0.000 0.915 493 R CB 1.016 31.294 30.300 -0.037 0.000 1.210 493 R HN 0.554 nan 8.270 nan 0.000 0.442 494 I N 4.992 125.544 120.570 -0.030 0.000 2.315 494 I HA 0.328 4.498 4.170 -0.000 0.000 0.291 494 I C -0.625 175.520 176.117 0.047 0.000 1.006 494 I CA -0.306 60.984 61.300 -0.017 0.000 1.265 494 I CB 1.600 39.545 38.000 -0.092 0.000 1.387 494 I HN 0.481 nan 8.210 nan 0.000 0.475 495 L N 7.295 128.577 121.223 0.097 0.000 2.362 495 L HA 0.583 4.923 4.340 -0.000 0.000 0.275 495 L C -1.099 175.873 176.870 0.170 0.000 0.998 495 L CA -0.592 54.315 54.840 0.111 0.000 0.820 495 L CB 1.355 43.455 42.059 0.068 0.000 1.270 495 L HN 0.504 nan 8.230 nan 0.000 0.415 496 L N 5.310 126.618 121.223 0.142 0.000 2.367 496 L HA 0.348 4.688 4.340 -0.000 0.000 0.275 496 L C -0.376 176.486 176.870 -0.012 0.000 1.129 496 L CA -0.453 54.408 54.840 0.035 0.000 0.839 496 L CB 1.424 43.489 42.059 0.010 0.000 1.133 496 L HN 0.474 nan 8.230 nan 0.000 0.453 497 V N 4.503 124.381 119.914 -0.060 0.000 2.614 497 V HA 0.042 4.162 4.120 -0.000 0.000 0.291 497 V C 0.251 176.319 176.094 -0.045 0.000 1.049 497 V CA -0.573 61.703 62.300 -0.039 0.000 1.038 497 V CB 1.183 32.980 31.823 -0.043 0.000 0.980 497 V HN 0.760 nan 8.190 nan 0.000 0.481 498 E N 0.000 120.184 120.200 -0.026 0.000 2.725 498 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 498 E CA 0.000 56.385 56.400 -0.025 0.000 0.976 498 E CB 0.000 29.690 29.700 -0.016 0.000 0.812 498 E HN 0.000 nan 8.360 nan 0.000 0.440