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 1yj4_1_A DATA FIRST_RESID 1 DATA SEQUENCE MENFPTEYFL NTTVRLLEYI RYRDSNYTRE ERIENLHYAY NKAAHHFAQP DATA SEQUENCE RQQQLLKVDP KRLQASLQTI VGMVVYSWAK VSKECMADLS IHYTYTLVLD DATA SEQUENCE DSKDDPYPTM VNYFDDLQAG REQAHPWWAL VNEHFPNVLR HFGPFCSLNL DATA SEQUENCE IRSTLDFFEG CWIEQYNFGG FPGSHDYPQF LRRMNGLGHC VGASLWPKEQ DATA SEQUENCE FNERSLFLEI TSAIAQMENW MVWVNDLMSF YKEFDDERDQ ISLVKNYVVS DATA SEQUENCE DEISLHEALE KLTQDTLHSS KQMVAVFSDK DPQVMDTIEC FMHGYVTWHL DATA SEQUENCE CDRRFRLSEI YEKVKEEKTE DAQKFCKFYE QAANVGAVSP SEWAYPPVAQ DATA SEQUENCE LANV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.340 176.300 0.067 0.000 1.140 1 M CA 0.000 55.310 55.300 0.017 0.000 0.988 1 M CB 0.000 32.624 32.600 0.040 0.000 1.302 2 E N 2.528 122.803 120.200 0.125 0.000 3.122 2 E HA 0.357 4.708 4.350 0.001 0.000 0.367 2 E C -0.427 176.332 176.600 0.264 0.000 0.496 2 E CA 0.065 56.575 56.400 0.182 0.000 1.980 2 E CB 0.878 30.699 29.700 0.201 0.000 2.034 2 E HN 0.696 nan 8.360 nan 0.000 0.508 3 N N -0.001 118.937 118.700 0.396 0.000 2.578 3 N HA 0.116 4.857 4.740 0.001 0.000 0.282 3 N C -1.782 173.806 175.510 0.129 0.000 1.119 3 N CA -0.394 52.807 53.050 0.253 0.000 0.948 3 N CB 1.086 39.657 38.487 0.142 0.000 1.546 3 N HN 0.185 nan 8.380 nan 0.000 0.525 4 F N 3.849 123.629 119.950 -0.284 0.000 2.543 4 F HA 0.274 4.801 4.527 0.001 0.000 0.375 4 F C -1.475 174.188 175.800 -0.228 0.000 1.075 4 F CA -1.377 56.203 58.000 -0.700 0.000 1.225 4 F CB 0.704 39.367 39.000 -0.562 0.000 1.099 4 F HN 0.312 nan 8.300 nan 0.000 0.561 5 P HA 0.019 nan 4.420 nan 0.000 0.235 5 P C 0.721 177.805 177.300 -0.360 0.000 1.670 5 P CA 0.471 63.370 63.100 -0.335 0.000 1.017 5 P CB -0.299 31.343 31.700 -0.096 0.000 1.945 6 T N -0.548 113.904 114.554 -0.171 0.000 2.635 6 T HA -0.229 4.121 4.350 0.001 0.000 0.267 6 T C 1.501 176.221 174.700 0.033 0.000 1.040 6 T CA 1.489 63.611 62.100 0.036 0.000 1.156 6 T CB -0.340 68.587 68.868 0.098 0.000 0.863 6 T HN 0.429 nan 8.240 nan 0.000 0.430 7 E N 0.067 120.282 120.200 0.025 0.000 2.012 7 E HA -0.188 4.162 4.350 0.001 0.000 0.197 7 E C 2.080 178.730 176.600 0.083 0.000 1.007 7 E CA 1.424 57.846 56.400 0.037 0.000 0.816 7 E CB -0.377 29.342 29.700 0.032 0.000 0.762 7 E HN 0.438 nan 8.360 nan 0.000 0.451 8 Y N 0.856 121.124 120.300 -0.054 0.000 2.114 8 Y HA -0.290 4.260 4.550 0.001 0.000 0.282 8 Y C 2.068 177.917 175.900 -0.086 0.000 1.165 8 Y CA 1.388 59.454 58.100 -0.058 0.000 1.148 8 Y CB -0.754 37.694 38.460 -0.021 0.000 0.972 8 Y HN 0.054 nan 8.280 nan 0.000 0.504 9 F N -0.073 119.721 119.950 -0.261 0.000 2.102 9 F HA -0.236 4.291 4.527 0.001 0.000 0.298 9 F C 2.204 177.850 175.800 -0.257 0.000 1.105 9 F CA 1.708 59.505 58.000 -0.339 0.000 1.239 9 F CB -0.735 38.108 39.000 -0.263 0.000 0.991 9 F HN 0.044 nan 8.300 nan 0.000 0.474 10 L N 0.205 121.300 121.223 -0.213 0.000 2.012 10 L HA -0.314 4.027 4.340 0.001 0.000 0.210 10 L C 2.576 179.311 176.870 -0.225 0.000 1.073 10 L CA 1.841 56.482 54.840 -0.332 0.000 0.748 10 L CB -0.993 40.946 42.059 -0.200 0.000 0.891 10 L HN 0.302 nan 8.230 nan 0.000 0.431 11 N N -0.289 118.339 118.700 -0.120 0.000 2.043 11 N HA -0.181 4.559 4.740 0.001 0.000 0.193 11 N C 1.686 177.112 175.510 -0.140 0.000 1.037 11 N CA 2.283 55.300 53.050 -0.056 0.000 0.851 11 N CB -0.083 38.429 38.487 0.043 0.000 1.027 11 N HN 0.261 nan 8.380 nan 0.000 0.422 12 T N 0.189 114.581 114.554 -0.269 0.000 2.684 12 T HA -0.099 4.251 4.350 0.001 0.000 0.267 12 T C 1.825 176.291 174.700 -0.390 0.000 1.036 12 T CA 2.041 63.923 62.100 -0.363 0.000 1.148 12 T CB -0.749 67.794 68.868 -0.541 0.000 0.863 12 T HN 0.375 nan 8.240 nan 0.000 0.436 13 T N 1.906 116.163 114.554 -0.495 0.000 2.720 13 T HA -0.092 4.258 4.350 0.001 0.000 0.268 13 T C 2.184 176.752 174.700 -0.219 0.000 1.037 13 T CA 1.038 62.893 62.100 -0.409 0.000 1.144 13 T CB -0.617 67.977 68.868 -0.456 0.000 0.864 13 T HN 0.151 nan 8.240 nan 0.000 0.444 14 V N 1.732 121.600 119.914 -0.077 0.000 2.295 14 V HA -0.172 3.949 4.120 0.001 0.000 0.246 14 V C 2.713 178.820 176.094 0.022 0.000 1.049 14 V CA 1.546 63.903 62.300 0.095 0.000 1.024 14 V CB -0.531 31.415 31.823 0.205 0.000 0.648 14 V HN 0.407 nan 8.190 nan 0.000 0.447 15 R N -0.414 120.039 120.500 -0.079 0.000 2.091 15 R HA -0.170 4.171 4.340 0.001 0.000 0.238 15 R C 2.241 178.305 176.300 -0.393 0.000 1.136 15 R CA 1.606 57.599 56.100 -0.179 0.000 0.959 15 R CB -0.864 29.243 30.300 -0.322 0.000 0.856 15 R HN 0.418 nan 8.270 nan 0.000 0.437 16 L N 1.427 122.432 121.223 -0.365 0.000 1.970 16 L HA -0.149 4.192 4.340 0.001 0.000 0.212 16 L C 2.169 178.962 176.870 -0.128 0.000 1.071 16 L CA 1.679 56.351 54.840 -0.280 0.000 0.751 16 L CB -0.643 41.257 42.059 -0.265 0.000 0.889 16 L HN 0.103 nan 8.230 nan 0.000 0.432 17 L N -0.763 120.297 121.223 -0.272 0.000 2.187 17 L HA -0.215 4.125 4.340 0.001 0.000 0.213 17 L C 2.497 179.294 176.870 -0.122 0.000 1.100 17 L CA 1.324 55.904 54.840 -0.434 0.000 0.765 17 L CB -0.466 40.803 42.059 -1.317 0.000 0.904 17 L HN 0.458 nan 8.230 nan 0.000 0.437 18 E N -0.914 119.347 120.200 0.100 0.000 2.033 18 E HA -0.185 4.165 4.350 0.001 0.000 0.189 18 E C 2.090 178.907 176.600 0.362 0.000 0.979 18 E CA 0.883 57.470 56.400 0.311 0.000 0.802 18 E CB -0.074 29.859 29.700 0.387 0.000 0.763 18 E HN 0.336 nan 8.360 nan 0.000 0.449 19 Y N 0.770 121.134 120.300 0.106 0.000 2.283 19 Y HA -0.187 4.363 4.550 0.001 0.000 0.285 19 Y C 2.148 178.128 175.900 0.132 0.000 1.176 19 Y CA 0.954 59.124 58.100 0.117 0.000 1.229 19 Y CB -0.612 37.922 38.460 0.124 0.000 0.975 19 Y HN 0.235 nan 8.280 nan 0.000 0.537 20 I N -2.968 117.792 120.570 0.317 0.000 3.968 20 I HA 0.250 4.420 4.170 0.001 0.000 0.328 20 I C 0.265 176.577 176.117 0.324 0.000 1.290 20 I CA 0.003 61.463 61.300 0.267 0.000 1.163 20 I CB 0.057 38.234 38.000 0.294 0.000 1.024 20 I HN -0.084 nan 8.210 nan 0.000 0.413 21 R N 0.232 120.901 120.500 0.280 0.000 3.305 21 R HA -0.229 4.111 4.340 0.001 0.000 0.268 21 R C -0.704 175.701 176.300 0.174 0.000 1.087 21 R CA 0.159 56.411 56.100 0.253 0.000 0.725 21 R CB -2.976 27.465 30.300 0.235 0.000 1.233 21 R HN 0.502 nan 8.270 nan 0.000 0.416 22 Y N 2.906 123.136 120.300 -0.116 0.000 2.804 22 Y HA -0.039 4.512 4.550 0.001 0.000 0.338 22 Y C 0.988 176.788 175.900 -0.167 0.000 1.252 22 Y CA 0.855 58.680 58.100 -0.459 0.000 1.576 22 Y CB 0.273 38.473 38.460 -0.433 0.000 1.223 22 Y HN 0.318 nan 8.280 nan 0.000 0.536 23 R N 3.290 123.420 120.500 -0.617 0.000 2.716 23 R HA 0.420 4.761 4.340 0.001 0.000 0.271 23 R C -1.507 174.598 176.300 -0.325 0.000 1.028 23 R CA -1.137 54.791 56.100 -0.286 0.000 0.883 23 R CB 0.968 31.231 30.300 -0.062 0.000 1.250 23 R HN 0.359 nan 8.270 nan 0.000 0.465 24 D N 1.127 121.419 120.400 -0.179 0.000 2.378 24 D HA 0.191 4.831 4.640 0.001 0.000 0.238 24 D C -0.035 176.230 176.300 -0.059 0.000 1.180 24 D CA 0.401 54.324 54.000 -0.128 0.000 0.895 24 D CB 1.154 41.909 40.800 -0.074 0.000 1.192 24 D HN 0.616 nan 8.370 nan 0.000 0.438 25 S N -0.139 115.544 115.700 -0.029 0.000 2.697 25 S HA 0.308 4.778 4.470 0.001 0.000 0.289 25 S C 0.364 174.986 174.600 0.035 0.000 1.149 25 S CA -0.940 57.272 58.200 0.019 0.000 0.850 25 S CB 1.261 64.491 63.200 0.050 0.000 1.151 25 S HN 0.311 nan 8.310 nan 0.000 0.491 26 N N -0.140 118.592 118.700 0.052 0.000 2.449 26 N HA 0.033 4.774 4.740 0.001 0.000 0.191 26 N C -0.859 174.722 175.510 0.117 0.000 1.161 26 N CA 0.311 53.395 53.050 0.058 0.000 0.863 26 N CB -0.299 38.214 38.487 0.043 0.000 0.980 26 N HN 0.616 nan 8.380 nan 0.000 0.458 27 Y N 3.039 123.315 120.300 -0.040 0.000 2.539 27 Y HA 0.076 4.627 4.550 0.001 0.000 0.352 27 Y C 0.711 176.573 175.900 -0.064 0.000 1.004 27 Y CA -1.211 56.860 58.100 -0.048 0.000 1.278 27 Y CB -0.319 38.105 38.460 -0.059 0.000 1.136 27 Y HN -0.086 nan 8.280 nan 0.000 0.528 28 T N 2.424 116.920 114.554 -0.097 0.000 2.899 28 T HA 0.267 4.617 4.350 0.001 0.000 0.284 28 T C 1.407 175.954 174.700 -0.256 0.000 1.004 28 T CA -0.778 61.234 62.100 -0.147 0.000 1.043 28 T CB 1.430 70.256 68.868 -0.069 0.000 1.013 28 T HN 0.780 nan 8.240 nan 0.000 0.518 29 R N 0.528 120.922 120.500 -0.177 0.000 2.096 29 R HA -0.176 4.164 4.340 0.001 0.000 0.240 29 R C 1.855 178.081 176.300 -0.124 0.000 1.139 29 R CA 2.121 58.125 56.100 -0.159 0.000 0.952 29 R CB -0.428 29.823 30.300 -0.082 0.000 0.854 29 R HN 0.802 nan 8.270 nan 0.000 0.436 30 E N 0.447 120.599 120.200 -0.080 0.000 2.153 30 E HA -0.172 4.178 4.350 0.001 0.000 0.194 30 E C 1.829 178.398 176.600 -0.052 0.000 0.988 30 E CA 1.597 57.974 56.400 -0.039 0.000 0.811 30 E CB -0.028 29.663 29.700 -0.016 0.000 0.746 30 E HN 0.526 nan 8.360 nan 0.000 0.466 31 E N 0.147 120.282 120.200 -0.110 0.000 2.107 31 E HA -0.071 4.280 4.350 0.001 0.000 0.191 31 E C 2.111 178.604 176.600 -0.178 0.000 0.982 31 E CA 0.500 56.836 56.400 -0.106 0.000 0.809 31 E CB -0.016 29.627 29.700 -0.094 0.000 0.756 31 E HN 0.148 nan 8.360 nan 0.000 0.459 32 R N 0.580 120.865 120.500 -0.357 0.000 2.073 32 R HA -0.100 4.241 4.340 0.001 0.000 0.234 32 R C 2.430 178.672 176.300 -0.097 0.000 1.134 32 R CA 1.137 57.049 56.100 -0.314 0.000 0.952 32 R CB -0.343 29.730 30.300 -0.378 0.000 0.850 32 R HN 0.194 nan 8.270 nan 0.000 0.433 33 I N 1.141 121.680 120.570 -0.052 0.000 2.264 33 I HA -0.282 3.888 4.170 0.001 0.000 0.248 33 I C 1.998 178.193 176.117 0.129 0.000 1.111 33 I CA 1.501 62.831 61.300 0.051 0.000 1.382 33 I CB -0.315 37.740 38.000 0.091 0.000 1.060 33 I HN 0.284 nan 8.210 nan 0.000 0.418 34 E N 0.682 120.942 120.200 0.100 0.000 2.072 34 E HA -0.190 4.160 4.350 0.001 0.000 0.191 34 E C 1.842 178.560 176.600 0.197 0.000 0.985 34 E CA 1.128 57.622 56.400 0.157 0.000 0.801 34 E CB -0.197 29.562 29.700 0.098 0.000 0.750 34 E HN 0.514 nan 8.360 nan 0.000 0.452 35 N N 1.016 119.796 118.700 0.135 0.000 2.171 35 N HA -0.080 4.661 4.740 0.001 0.000 0.184 35 N C 2.058 177.664 175.510 0.159 0.000 1.021 35 N CA 0.731 53.878 53.050 0.162 0.000 0.854 35 N CB -0.294 38.294 38.487 0.169 0.000 0.994 35 N HN 0.117 nan 8.380 nan 0.000 0.426 36 L N 0.242 121.491 121.223 0.043 0.000 1.989 36 L HA -0.231 4.109 4.340 0.001 0.000 0.211 36 L C 2.460 179.472 176.870 0.236 0.000 1.071 36 L CA 1.547 56.312 54.840 -0.126 0.000 0.749 36 L CB -0.582 41.067 42.059 -0.683 0.000 0.890 36 L HN 0.255 nan 8.230 nan 0.000 0.431 37 H N -1.333 117.895 119.070 0.264 0.000 2.387 37 H HA -0.253 4.303 4.556 0.000 0.000 0.299 37 H C 2.066 177.548 175.328 0.255 0.000 1.090 37 H CA 1.851 58.077 56.048 0.297 0.000 1.332 37 H CB -0.192 29.695 29.762 0.208 0.000 1.386 37 H HN 0.326 nan 8.280 nan 0.000 0.516 38 Y N 0.272 120.600 120.300 0.047 0.000 2.163 38 Y HA -0.151 4.399 4.550 0.001 0.000 0.288 38 Y C 2.612 178.500 175.900 -0.021 0.000 1.136 38 Y CA 1.821 59.907 58.100 -0.025 0.000 1.147 38 Y CB -0.736 37.750 38.460 0.044 0.000 0.987 38 Y HN 0.320 nan 8.280 nan 0.000 0.509 39 A N -0.526 122.399 122.820 0.175 0.000 1.858 39 A HA -0.253 4.068 4.320 0.001 0.000 0.216 39 A C 2.149 179.754 177.584 0.036 0.000 1.190 39 A CA 1.726 53.822 52.037 0.099 0.000 0.617 39 A CB -1.685 17.392 19.000 0.130 0.000 0.827 39 A HN 0.710 nan 8.150 nan 0.000 0.443 40 Y N 1.263 121.590 120.300 0.045 0.000 2.128 40 Y HA -0.315 4.236 4.550 0.001 0.000 0.284 40 Y C 2.282 178.152 175.900 -0.050 0.000 1.154 40 Y CA 2.412 60.562 58.100 0.084 0.000 1.149 40 Y CB -0.539 38.081 38.460 0.267 0.000 0.976 40 Y HN 0.467 nan 8.280 nan 0.000 0.505 41 N N 0.307 118.919 118.700 -0.146 0.000 2.104 41 N HA -0.247 4.494 4.740 0.001 0.000 0.190 41 N C 1.964 177.385 175.510 -0.148 0.000 1.024 41 N CA 1.942 54.864 53.050 -0.213 0.000 0.853 41 N CB -0.366 37.875 38.487 -0.409 0.000 1.008 41 N HN 0.439 nan 8.380 nan 0.000 0.424 42 K N -0.471 119.755 120.400 -0.289 0.000 2.062 42 K HA 0.010 4.330 4.320 0.001 0.000 0.205 42 K C 1.880 178.390 176.600 -0.150 0.000 1.051 42 K CA 1.058 57.199 56.287 -0.244 0.000 0.941 42 K CB -0.229 32.082 32.500 -0.315 0.000 0.719 42 K HN 0.250 nan 8.250 nan 0.000 0.440 43 A N 1.157 123.866 122.820 -0.184 0.000 1.902 43 A HA -0.084 4.237 4.320 0.001 0.000 0.217 43 A C 2.309 179.827 177.584 -0.110 0.000 1.181 43 A CA 1.784 53.724 52.037 -0.162 0.000 0.623 43 A CB -0.731 18.227 19.000 -0.071 0.000 0.818 43 A HN 0.465 nan 8.150 nan 0.000 0.443 44 A N -0.759 121.885 122.820 -0.294 0.000 1.902 44 A HA -0.175 4.146 4.320 0.001 0.000 0.217 44 A C 1.950 179.424 177.584 -0.183 0.000 1.181 44 A CA 1.955 53.790 52.037 -0.337 0.000 0.623 44 A CB -0.895 17.672 19.000 -0.720 0.000 0.818 44 A HN 0.654 nan 8.150 nan 0.000 0.443 45 H N -2.199 116.766 119.070 -0.174 0.000 2.423 45 H HA -0.088 4.468 4.556 0.000 0.000 0.297 45 H C 1.960 177.213 175.328 -0.126 0.000 1.075 45 H CA 1.708 57.685 56.048 -0.119 0.000 1.342 45 H CB -0.249 29.447 29.762 -0.109 0.000 1.395 45 H HN 0.819 nan 8.280 nan 0.000 0.530 46 H N -0.441 118.533 119.070 -0.160 0.000 2.293 46 H HA -0.120 4.436 4.556 0.001 0.000 0.300 46 H C 1.237 176.341 175.328 -0.373 0.000 1.082 46 H CA 1.656 57.505 56.048 -0.332 0.000 1.308 46 H CB -0.375 29.023 29.762 -0.607 0.000 1.375 46 H HN 0.231 nan 8.280 nan 0.000 0.495 47 F N -0.095 119.747 119.950 -0.180 0.000 2.699 47 F HA 0.159 4.686 4.527 0.001 0.000 0.298 47 F C 2.357 178.045 175.800 -0.187 0.000 1.154 47 F CA 0.749 58.615 58.000 -0.223 0.000 1.457 47 F CB -0.308 38.585 39.000 -0.179 0.000 1.106 47 F HN 0.340 nan 8.300 nan 0.000 0.585 48 A N -0.902 121.891 122.820 -0.045 0.000 2.238 48 A HA 0.076 4.397 4.320 0.001 0.000 0.210 48 A C 1.043 178.583 177.584 -0.073 0.000 1.179 48 A CA -0.223 51.778 52.037 -0.060 0.000 0.827 48 A CB -0.411 18.524 19.000 -0.107 0.000 0.856 48 A HN 0.289 nan 8.150 nan 0.000 0.488 49 Q N 0.183 119.913 119.800 -0.117 0.000 2.392 49 Q HA 0.136 4.476 4.340 0.001 0.000 0.262 49 Q C -1.733 174.223 176.000 -0.072 0.000 1.003 49 Q CA -1.705 54.038 55.803 -0.101 0.000 0.888 49 Q CB 0.223 28.870 28.738 -0.153 0.000 1.260 49 Q HN 0.103 nan 8.270 nan 0.000 0.435 50 P HA -0.276 nan 4.420 nan 0.000 0.215 50 P C 1.071 178.359 177.300 -0.021 0.000 1.163 50 P CA 1.459 64.543 63.100 -0.026 0.000 0.894 50 P CB 0.094 31.782 31.700 -0.019 0.000 0.791 51 R N -0.229 120.254 120.500 -0.028 0.000 2.083 51 R HA -0.211 4.130 4.340 0.001 0.000 0.237 51 R C 2.306 178.603 176.300 -0.004 0.000 1.137 51 R CA 1.731 57.822 56.100 -0.015 0.000 0.951 51 R CB -0.571 29.717 30.300 -0.020 0.000 0.851 51 R HN 0.161 nan 8.270 nan 0.000 0.434 52 Q N 0.090 119.866 119.800 -0.040 0.000 2.084 52 Q HA -0.175 4.165 4.340 0.001 0.000 0.202 52 Q C 2.097 178.131 176.000 0.056 0.000 0.978 52 Q CA 1.185 56.990 55.803 0.003 0.000 0.844 52 Q CB -0.245 28.416 28.738 -0.128 0.000 0.898 52 Q HN 0.476 nan 8.270 nan 0.000 0.426 53 Q N 0.611 120.423 119.800 0.020 0.000 2.170 53 Q HA -0.167 4.174 4.340 0.001 0.000 0.203 53 Q C 1.983 178.001 176.000 0.030 0.000 0.976 53 Q CA 1.300 57.118 55.803 0.025 0.000 0.858 53 Q CB -0.049 28.691 28.738 0.003 0.000 0.907 53 Q HN 0.542 nan 8.270 nan 0.000 0.433 54 Q N -0.099 119.717 119.800 0.027 0.000 2.089 54 Q HA -0.025 4.316 4.340 0.001 0.000 0.195 54 Q C 2.045 178.072 176.000 0.045 0.000 0.963 54 Q CA 0.498 56.318 55.803 0.028 0.000 0.834 54 Q CB 0.231 28.980 28.738 0.018 0.000 0.906 54 Q HN 0.302 nan 8.270 nan 0.000 0.452 55 L N 0.525 121.786 121.223 0.062 0.000 2.270 55 L HA 0.048 4.389 4.340 0.001 0.000 0.210 55 L C 0.771 177.717 176.870 0.126 0.000 1.104 55 L CA -0.007 54.884 54.840 0.086 0.000 0.804 55 L CB -0.019 42.096 42.059 0.093 0.000 0.937 55 L HN 0.238 nan 8.230 nan 0.000 0.450 56 L N 2.117 123.427 121.223 0.145 0.000 2.328 56 L HA 0.178 4.519 4.340 0.001 0.000 0.280 56 L C 0.075 177.013 176.870 0.114 0.000 1.111 56 L CA -0.071 54.880 54.840 0.185 0.000 0.909 56 L CB -0.074 42.126 42.059 0.236 0.000 1.277 56 L HN -0.121 nan 8.230 nan 0.000 0.433 57 K N 4.694 125.155 120.400 0.101 0.000 2.278 57 K HA 0.405 4.726 4.320 0.001 0.000 0.289 57 K C -1.014 175.609 176.600 0.040 0.000 1.080 57 K CA -0.030 56.289 56.287 0.054 0.000 0.934 57 K CB 0.582 33.104 32.500 0.037 0.000 1.093 57 K HN 0.355 nan 8.250 nan 0.000 0.459 58 V N 1.202 121.126 119.914 0.017 0.000 2.969 58 V HA 0.060 4.180 4.120 0.001 0.000 0.304 58 V C -0.339 175.742 176.094 -0.022 0.000 1.192 58 V CA -1.420 60.876 62.300 -0.007 0.000 0.962 58 V CB 2.378 34.185 31.823 -0.027 0.000 1.045 58 V HN 0.620 nan 8.190 nan 0.000 0.428 59 D N 4.421 124.805 120.400 -0.027 0.000 2.472 59 D HA 0.170 4.810 4.640 0.001 0.000 0.237 59 D C -1.586 174.691 176.300 -0.039 0.000 1.141 59 D CA -0.607 53.376 54.000 -0.029 0.000 0.875 59 D CB 1.685 42.467 40.800 -0.030 0.000 1.192 59 D HN 0.244 nan 8.370 nan 0.000 0.450 60 P HA -0.166 nan 4.420 nan 0.000 0.215 60 P C 0.747 178.021 177.300 -0.043 0.000 1.157 60 P CA 1.698 64.775 63.100 -0.039 0.000 0.868 60 P CB 0.143 31.826 31.700 -0.028 0.000 0.788 61 K N -0.571 119.807 120.400 -0.037 0.000 2.097 61 K HA -0.091 4.229 4.320 0.001 0.000 0.206 61 K C 2.189 178.763 176.600 -0.043 0.000 1.049 61 K CA 1.056 57.321 56.287 -0.037 0.000 0.933 61 K CB -0.285 32.195 32.500 -0.034 0.000 0.717 61 K HN 0.083 nan 8.250 nan 0.000 0.442 62 R N 0.823 121.295 120.500 -0.047 0.000 2.081 62 R HA -0.107 4.234 4.340 0.001 0.000 0.235 62 R C 2.379 178.637 176.300 -0.069 0.000 1.131 62 R CA 0.874 56.944 56.100 -0.051 0.000 0.960 62 R CB -0.720 29.552 30.300 -0.047 0.000 0.856 62 R HN 0.171 nan 8.270 nan 0.000 0.436 63 L N 1.562 122.731 121.223 -0.090 0.000 2.056 63 L HA -0.162 4.179 4.340 0.001 0.000 0.207 63 L C 2.478 179.270 176.870 -0.130 0.000 1.078 63 L CA 1.793 56.541 54.840 -0.154 0.000 0.749 63 L CB -0.623 41.325 42.059 -0.185 0.000 0.901 63 L HN 0.034 nan 8.230 nan 0.000 0.433 64 Q N -0.064 119.694 119.800 -0.071 0.000 2.061 64 Q HA -0.151 4.189 4.340 0.001 0.000 0.204 64 Q C 2.167 178.167 176.000 -0.001 0.000 0.984 64 Q CA 2.375 58.167 55.803 -0.018 0.000 0.846 64 Q CB -0.543 28.188 28.738 -0.012 0.000 0.902 64 Q HN 0.591 nan 8.270 nan 0.000 0.421 65 A N -0.790 122.017 122.820 -0.021 0.000 1.930 65 A HA -0.120 4.200 4.320 0.001 0.000 0.217 65 A C 2.313 179.904 177.584 0.013 0.000 1.175 65 A CA 1.692 53.724 52.037 -0.008 0.000 0.627 65 A CB -0.641 18.342 19.000 -0.028 0.000 0.815 65 A HN 0.410 nan 8.150 nan 0.000 0.443 66 S N -0.535 115.155 115.700 -0.017 0.000 2.368 66 S HA -0.106 4.364 4.470 0.001 0.000 0.224 66 S C 1.860 176.469 174.600 0.016 0.000 1.029 66 S CA 1.310 59.505 58.200 -0.009 0.000 0.988 66 S CB -0.390 62.774 63.200 -0.060 0.000 0.838 66 S HN 0.493 nan 8.310 nan 0.000 0.462 67 L N 2.056 123.267 121.223 -0.021 0.000 2.017 67 L HA -0.124 4.217 4.340 0.001 0.000 0.208 67 L C 2.200 179.198 176.870 0.212 0.000 1.073 67 L CA 1.817 56.680 54.840 0.037 0.000 0.745 67 L CB -0.875 41.184 42.059 -0.001 0.000 0.894 67 L HN 0.278 nan 8.230 nan 0.000 0.432 68 Q N -1.397 118.553 119.800 0.251 0.000 2.124 68 Q HA -0.185 4.155 4.340 0.001 0.000 0.202 68 Q C 1.980 178.217 176.000 0.394 0.000 0.977 68 Q CA 2.138 58.179 55.803 0.396 0.000 0.850 68 Q CB -0.261 28.584 28.738 0.180 0.000 0.901 68 Q HN 0.541 nan 8.270 nan 0.000 0.429 69 T N 0.918 115.631 114.554 0.265 0.000 2.821 69 T HA -0.061 4.290 4.350 0.001 0.000 0.267 69 T C 1.727 176.618 174.700 0.319 0.000 1.046 69 T CA 0.644 62.944 62.100 0.333 0.000 1.139 69 T CB 0.057 69.087 68.868 0.270 0.000 0.871 69 T HN 0.138 nan 8.240 nan 0.000 0.454 70 I N 0.908 121.582 120.570 0.173 0.000 2.286 70 I HA -0.042 4.129 4.170 0.001 0.000 0.245 70 I C 2.511 178.624 176.117 -0.007 0.000 1.104 70 I CA 0.846 62.173 61.300 0.045 0.000 1.397 70 I CB -1.257 36.780 38.000 0.063 0.000 1.072 70 I HN 0.106 nan 8.210 nan 0.000 0.417 71 V N 1.355 121.320 119.914 0.085 0.000 2.343 71 V HA -0.206 3.914 4.120 0.001 0.000 0.247 71 V C 2.671 178.693 176.094 -0.120 0.000 1.051 71 V CA 2.073 64.402 62.300 0.049 0.000 1.036 71 V CB -1.372 30.592 31.823 0.235 0.000 0.654 71 V HN 0.504 nan 8.190 nan 0.000 0.451 72 G N -0.934 107.770 108.800 -0.159 0.000 2.418 72 G HA2 -0.334 3.627 3.960 0.001 0.000 0.217 72 G HA3 -0.334 3.627 3.960 0.001 0.000 0.217 72 G C 1.643 176.277 174.900 -0.444 0.000 1.158 72 G CA 1.151 45.998 45.100 -0.422 0.000 0.771 72 G HN 0.453 nan 8.290 nan 0.000 0.545 73 M N 0.355 119.649 119.600 -0.510 0.000 2.117 73 M HA -0.074 4.407 4.480 0.001 0.000 0.262 73 M C 2.461 178.653 176.300 -0.181 0.000 1.065 73 M CA 1.504 56.254 55.300 -0.917 0.000 1.114 73 M CB -0.126 31.579 32.600 -1.492 0.000 1.361 73 M HN 0.101 nan 8.290 nan 0.000 0.408 74 V N -0.127 119.734 119.914 -0.088 0.000 2.323 74 V HA -0.206 3.914 4.120 0.001 0.000 0.244 74 V C 2.382 178.630 176.094 0.256 0.000 1.041 74 V CA 1.486 63.836 62.300 0.082 0.000 1.025 74 V CB -0.483 31.236 31.823 -0.174 0.000 0.656 74 V HN 0.404 nan 8.190 nan 0.000 0.451 75 V N -1.019 118.989 119.914 0.156 0.000 2.407 75 V HA -0.243 3.877 4.120 0.001 0.000 0.248 75 V C 2.248 178.665 176.094 0.538 0.000 1.055 75 V CA 1.888 64.360 62.300 0.287 0.000 1.049 75 V CB -0.717 31.215 31.823 0.183 0.000 0.662 75 V HN 0.528 nan 8.190 nan 0.000 0.455 76 Y N 0.044 120.470 120.300 0.209 0.000 2.420 76 Y HA 0.013 4.563 4.550 0.001 0.000 0.292 76 Y C 2.676 178.694 175.900 0.197 0.000 1.119 76 Y CA 0.786 59.039 58.100 0.256 0.000 1.229 76 Y CB -0.493 38.086 38.460 0.199 0.000 1.026 76 Y HN 0.243 nan 8.280 nan 0.000 0.554 77 S N -2.599 113.320 115.700 0.364 0.000 2.475 77 S HA -0.010 4.461 4.470 0.001 0.000 0.224 77 S C 0.875 175.572 174.600 0.162 0.000 1.042 77 S CA -0.112 58.181 58.200 0.154 0.000 0.935 77 S CB 0.006 63.187 63.200 -0.031 0.000 0.801 77 S HN 0.429 nan 8.310 nan 0.000 0.509 78 W N 2.365 123.726 121.300 0.101 0.000 2.960 78 W HA 0.465 5.126 4.660 0.001 0.000 0.442 78 W C 1.495 177.981 176.519 -0.054 0.000 0.774 78 W CA -0.538 56.822 57.345 0.025 0.000 2.207 78 W CB -0.386 29.093 29.460 0.032 0.000 1.159 78 W HN 0.335 nan 8.180 nan 0.000 0.845 79 A N 0.712 123.538 122.820 0.010 0.000 1.997 79 A HA -0.237 4.083 4.320 0.001 0.000 0.221 79 A C 2.080 179.511 177.584 -0.255 0.000 1.172 79 A CA 1.450 53.297 52.037 -0.318 0.000 0.645 79 A CB -0.096 18.473 19.000 -0.719 0.000 0.813 79 A HN 0.106 nan 8.150 nan 0.000 0.454 80 K N -0.282 120.046 120.400 -0.120 0.000 2.400 80 K HA 0.104 4.425 4.320 0.001 0.000 0.194 80 K C 0.867 177.476 176.600 0.016 0.000 1.033 80 K CA 0.698 56.952 56.287 -0.055 0.000 1.021 80 K CB -0.521 31.977 32.500 -0.003 0.000 0.808 80 K HN 0.568 nan 8.250 nan 0.000 0.505 81 V N -0.337 119.607 119.914 0.051 0.000 3.170 81 V HA 0.301 4.422 4.120 0.001 0.000 0.309 81 V C 0.723 176.817 176.094 -0.001 0.000 1.071 81 V CA -1.049 61.278 62.300 0.044 0.000 1.063 81 V CB 1.349 33.211 31.823 0.066 0.000 1.123 81 V HN 0.228 nan 8.190 nan 0.000 0.464 82 S N 1.494 117.170 115.700 -0.039 0.000 2.587 82 S HA 0.214 4.685 4.470 0.001 0.000 0.260 82 S C 0.838 175.400 174.600 -0.062 0.000 1.353 82 S CA 0.205 58.374 58.200 -0.052 0.000 0.995 82 S CB 0.322 63.497 63.200 -0.042 0.000 0.912 82 S HN 0.817 nan 8.310 nan 0.000 0.568 83 K N 0.475 120.807 120.400 -0.114 0.000 2.057 83 K HA -0.103 4.217 4.320 0.001 0.000 0.207 83 K C 2.224 178.855 176.600 0.051 0.000 1.049 83 K CA 1.471 57.662 56.287 -0.161 0.000 0.931 83 K CB -0.201 31.874 32.500 -0.708 0.000 0.714 83 K HN 0.594 nan 8.250 nan 0.000 0.440 84 E N 0.592 120.831 120.200 0.066 0.000 2.051 84 E HA -0.216 4.134 4.350 0.001 0.000 0.192 84 E C 2.191 178.818 176.600 0.046 0.000 0.991 84 E CA 0.880 57.404 56.400 0.207 0.000 0.799 84 E CB -0.631 29.207 29.700 0.231 0.000 0.748 84 E HN 0.299 nan 8.360 nan 0.000 0.449 85 C N 0.700 119.856 119.300 -0.239 0.000 2.413 85 C HA -0.108 4.352 4.460 0.001 0.000 0.276 85 C C 2.816 177.637 174.990 -0.283 0.000 1.248 85 C CA 0.807 59.414 59.018 -0.684 0.000 1.742 85 C CB -0.994 26.321 27.740 -0.709 0.000 2.017 85 C HN 0.402 nan 8.230 nan 0.000 0.481 86 M N 0.509 120.038 119.600 -0.118 0.000 2.159 86 M HA -0.104 4.377 4.480 0.001 0.000 0.263 86 M C 2.450 178.735 176.300 -0.025 0.000 1.063 86 M CA 1.964 57.231 55.300 -0.055 0.000 1.110 86 M CB -0.386 32.243 32.600 0.049 0.000 1.374 86 M HN 0.566 nan 8.290 nan 0.000 0.411 87 A N 0.233 123.083 122.820 0.049 0.000 1.872 87 A HA -0.152 4.169 4.320 0.001 0.000 0.214 87 A C 1.696 179.274 177.584 -0.011 0.000 1.187 87 A CA 1.697 53.757 52.037 0.038 0.000 0.614 87 A CB -0.592 18.452 19.000 0.073 0.000 0.826 87 A HN 0.381 nan 8.150 nan 0.000 0.442 88 D N 0.211 120.621 120.400 0.016 0.000 2.144 88 D HA -0.087 4.554 4.640 0.001 0.000 0.200 88 D C 1.913 178.220 176.300 0.012 0.000 0.978 88 D CA 0.921 54.959 54.000 0.063 0.000 0.833 88 D CB -0.308 40.583 40.800 0.151 0.000 0.961 88 D HN 0.435 nan 8.370 nan 0.000 0.470 89 L N 0.527 121.689 121.223 -0.102 0.000 2.156 89 L HA -0.087 4.253 4.340 0.001 0.000 0.208 89 L C 2.462 179.237 176.870 -0.158 0.000 1.095 89 L CA 0.557 55.262 54.840 -0.225 0.000 0.770 89 L CB -0.192 41.648 42.059 -0.366 0.000 0.914 89 L HN -0.083 nan 8.230 nan 0.000 0.439 90 S N 0.084 115.732 115.700 -0.086 0.000 2.382 90 S HA -0.100 4.370 4.470 0.001 0.000 0.228 90 S C 1.943 176.538 174.600 -0.007 0.000 1.027 90 S CA 1.113 59.302 58.200 -0.019 0.000 0.991 90 S CB -0.135 63.065 63.200 -0.001 0.000 0.823 90 S HN 0.282 nan 8.310 nan 0.000 0.469 91 I N 0.315 120.837 120.570 -0.079 0.000 2.202 91 I HA -0.190 3.980 4.170 0.001 0.000 0.242 91 I C 2.404 178.451 176.117 -0.117 0.000 1.091 91 I CA 1.508 62.685 61.300 -0.206 0.000 1.368 91 I CB -0.435 37.168 38.000 -0.661 0.000 1.058 91 I HN 0.310 nan 8.210 nan 0.000 0.410 92 H N 0.506 119.478 119.070 -0.163 0.000 2.290 92 H HA -0.240 4.317 4.556 0.001 0.000 0.298 92 H C 1.914 177.126 175.328 -0.193 0.000 1.087 92 H CA 2.168 58.100 56.048 -0.193 0.000 1.291 92 H CB -0.215 29.276 29.762 -0.452 0.000 1.369 92 H HN 0.249 nan 8.280 nan 0.000 0.492 93 Y N -0.540 119.755 120.300 -0.009 0.000 2.497 93 Y HA -0.078 4.473 4.550 0.001 0.000 0.292 93 Y C 2.617 178.473 175.900 -0.073 0.000 1.137 93 Y CA 1.272 59.320 58.100 -0.086 0.000 1.285 93 Y CB -0.499 37.900 38.460 -0.102 0.000 0.991 93 Y HN 0.254 nan 8.280 nan 0.000 0.556 94 T N -1.345 113.240 114.554 0.051 0.000 2.942 94 T HA -0.120 4.230 4.350 0.001 0.000 0.265 94 T C 1.385 176.074 174.700 -0.018 0.000 1.062 94 T CA 0.949 63.029 62.100 -0.032 0.000 1.139 94 T CB -0.358 68.426 68.868 -0.141 0.000 0.883 94 T HN 0.217 nan 8.240 nan 0.000 0.468 95 Y N 2.281 122.605 120.300 0.041 0.000 2.145 95 Y HA -0.169 4.381 4.550 0.000 0.000 0.286 95 Y C 3.089 179.197 175.900 0.347 0.000 1.145 95 Y CA 1.409 59.585 58.100 0.127 0.000 1.148 95 Y CB -1.216 37.131 38.460 -0.189 0.000 0.981 95 Y HN 0.329 nan 8.280 nan 0.000 0.507 96 T N -1.399 113.330 114.554 0.290 0.000 2.708 96 T HA -0.240 4.110 4.350 0.001 0.000 0.266 96 T C 1.955 176.761 174.700 0.175 0.000 1.037 96 T CA 1.417 63.594 62.100 0.128 0.000 1.146 96 T CB -0.976 67.556 68.868 -0.560 0.000 0.865 96 T HN 0.216 nan 8.240 nan 0.000 0.435 97 L N 1.277 122.568 121.223 0.113 0.000 2.083 97 L HA 0.074 4.414 4.340 0.001 0.000 0.209 97 L C 2.586 179.533 176.870 0.127 0.000 1.083 97 L CA 1.286 56.206 54.840 0.134 0.000 0.752 97 L CB -0.806 41.308 42.059 0.091 0.000 0.899 97 L HN 0.192 nan 8.230 nan 0.000 0.433 98 V N -0.482 119.505 119.914 0.122 0.000 2.515 98 V HA -0.228 3.892 4.120 0.001 0.000 0.250 98 V C 2.459 178.602 176.094 0.082 0.000 1.058 98 V CA 1.417 63.770 62.300 0.089 0.000 1.064 98 V CB -0.567 31.303 31.823 0.078 0.000 0.675 98 V HN 0.509 nan 8.190 nan 0.000 0.461 99 L N 0.210 121.480 121.223 0.079 0.000 2.265 99 L HA -0.167 4.173 4.340 0.001 0.000 0.215 99 L C 2.006 178.755 176.870 -0.201 0.000 1.117 99 L CA 1.900 56.595 54.840 -0.241 0.000 0.782 99 L CB -0.844 40.763 42.059 -0.753 0.000 0.914 99 L HN 0.324 nan 8.230 nan 0.000 0.441 100 D N -0.665 119.701 120.400 -0.056 0.000 2.310 100 D HA -0.172 4.469 4.640 0.001 0.000 0.212 100 D C 1.027 177.289 176.300 -0.064 0.000 0.965 100 D CA 0.816 54.779 54.000 -0.062 0.000 0.879 100 D CB 0.214 41.035 40.800 0.035 0.000 0.921 100 D HN 0.440 nan 8.370 nan 0.000 0.510 101 D N -0.432 119.940 120.400 -0.047 0.000 2.347 101 D HA -0.023 4.617 4.640 0.001 0.000 0.215 101 D C 0.450 176.717 176.300 -0.054 0.000 0.976 101 D CA 0.271 54.246 54.000 -0.041 0.000 0.884 101 D CB 0.158 40.945 40.800 -0.022 0.000 0.915 101 D HN -0.072 nan 8.370 nan 0.000 0.526 102 S N -0.000 115.651 115.700 -0.081 0.000 2.537 102 S HA 0.194 4.664 4.470 0.001 0.000 0.275 102 S C 0.800 175.339 174.600 -0.101 0.000 1.272 102 S CA -0.478 57.673 58.200 -0.081 0.000 1.050 102 S CB 1.284 64.435 63.200 -0.082 0.000 0.961 102 S HN -0.019 nan 8.310 nan 0.000 0.496 103 K N 2.499 122.849 120.400 -0.083 0.000 2.374 103 K HA 0.157 4.477 4.320 0.001 0.000 0.202 103 K C -0.682 175.860 176.600 -0.096 0.000 1.040 103 K CA -0.207 56.027 56.287 -0.089 0.000 1.085 103 K CB 0.201 32.658 32.500 -0.072 0.000 0.873 103 K HN 0.571 nan 8.250 nan 0.000 0.539 104 D N 2.077 122.423 120.400 -0.090 0.000 2.390 104 D HA -0.050 4.591 4.640 0.001 0.000 0.249 104 D C -0.417 175.810 176.300 -0.121 0.000 1.144 104 D CA 0.221 54.167 54.000 -0.090 0.000 0.880 104 D CB 1.072 41.824 40.800 -0.080 0.000 1.182 104 D HN 0.131 nan 8.370 nan 0.000 0.451 105 D N 2.229 122.562 120.400 -0.112 0.000 2.401 105 D HA 0.042 4.683 4.640 0.001 0.000 0.254 105 D C -1.729 174.455 176.300 -0.192 0.000 1.192 105 D CA -1.506 52.411 54.000 -0.137 0.000 0.885 105 D CB 1.170 41.942 40.800 -0.048 0.000 1.147 105 D HN 0.043 nan 8.370 nan 0.000 0.478 106 P HA -0.068 nan 4.420 nan 0.000 0.225 106 P C 0.998 178.054 177.300 -0.406 0.000 1.156 106 P CA 0.368 63.181 63.100 -0.478 0.000 0.787 106 P CB -0.010 31.064 31.700 -1.042 0.000 0.802 107 Y N 2.510 122.513 120.300 -0.494 0.000 1.997 107 Y HA -0.258 4.292 4.550 0.001 0.000 0.265 107 Y C -0.804 175.125 175.900 0.048 0.000 1.193 107 Y CA 2.788 60.866 58.100 -0.036 0.000 1.106 107 Y CB -2.056 36.514 38.460 0.183 0.000 0.940 107 Y HN 0.090 nan 8.280 nan 0.000 0.494 108 P HA -0.152 nan 4.420 nan 0.000 0.218 108 P C 1.463 178.841 177.300 0.131 0.000 1.148 108 P CA 2.751 66.001 63.100 0.251 0.000 0.822 108 P CB -0.499 31.305 31.700 0.173 0.000 0.784 109 T N -5.696 108.923 114.554 0.108 0.000 3.100 109 T HA 0.114 4.464 4.350 0.001 0.000 0.253 109 T C 1.389 176.206 174.700 0.195 0.000 1.118 109 T CA 0.500 62.690 62.100 0.150 0.000 1.058 109 T CB -0.527 68.454 68.868 0.188 0.000 0.953 109 T HN -0.116 nan 8.240 nan 0.000 0.515 110 M N 0.633 120.311 119.600 0.131 0.000 2.333 110 M HA 0.340 4.820 4.480 0.001 0.000 0.257 110 M C 1.909 178.291 176.300 0.138 0.000 1.078 110 M CA -0.062 55.344 55.300 0.177 0.000 1.005 110 M CB -0.117 32.597 32.600 0.190 0.000 1.444 110 M HN 0.148 nan 8.290 nan 0.000 0.496 111 V N 1.931 121.873 119.914 0.046 0.000 2.324 111 V HA -0.260 3.860 4.120 0.001 0.000 0.250 111 V C 1.529 177.680 176.094 0.094 0.000 1.060 111 V CA 1.613 63.926 62.300 0.022 0.000 1.042 111 V CB -0.489 31.357 31.823 0.039 0.000 0.650 111 V HN 0.526 nan 8.190 nan 0.000 0.450 112 N N -1.670 117.099 118.700 0.115 0.000 2.238 112 N HA 0.064 4.805 4.740 0.001 0.000 0.222 112 N C 1.158 176.734 175.510 0.110 0.000 1.133 112 N CA -0.057 53.057 53.050 0.106 0.000 0.854 112 N CB 0.243 38.771 38.487 0.067 0.000 1.041 112 N HN 0.583 nan 8.380 nan 0.000 0.510 113 Y N 1.340 121.668 120.300 0.047 0.000 2.014 113 Y HA -0.338 4.213 4.550 0.001 0.000 0.272 113 Y C 2.081 177.969 175.900 -0.020 0.000 1.164 113 Y CA 1.856 59.953 58.100 -0.004 0.000 1.114 113 Y CB -0.618 37.848 38.460 0.009 0.000 0.961 113 Y HN 0.047 nan 8.280 nan 0.000 0.489 114 F N 1.172 121.054 119.950 -0.114 0.000 2.095 114 F HA -0.236 4.291 4.527 0.001 0.000 0.298 114 F C 2.189 177.870 175.800 -0.200 0.000 1.104 114 F CA 2.257 60.133 58.000 -0.206 0.000 1.232 114 F CB -0.492 38.501 39.000 -0.011 0.000 0.987 114 F HN 0.151 nan 8.300 nan 0.000 0.475 115 D N 0.086 120.493 120.400 0.012 0.000 2.144 115 D HA -0.172 4.468 4.640 0.001 0.000 0.199 115 D C 1.791 177.971 176.300 -0.199 0.000 0.984 115 D CA 1.467 55.434 54.000 -0.055 0.000 0.834 115 D CB -0.488 40.340 40.800 0.046 0.000 0.955 115 D HN 0.355 nan 8.370 nan 0.000 0.465 116 D N 0.346 120.621 120.400 -0.209 0.000 2.144 116 D HA -0.091 4.550 4.640 0.001 0.000 0.200 116 D C 2.193 178.294 176.300 -0.332 0.000 0.978 116 D CA 0.176 54.047 54.000 -0.215 0.000 0.833 116 D CB -0.249 40.455 40.800 -0.160 0.000 0.961 116 D HN 0.117 nan 8.370 nan 0.000 0.470 117 L N 0.867 121.770 121.223 -0.534 0.000 1.976 117 L HA -0.221 4.119 4.340 0.001 0.000 0.209 117 L C 2.351 178.913 176.870 -0.514 0.000 1.071 117 L CA 1.790 56.265 54.840 -0.609 0.000 0.746 117 L CB -0.646 40.878 42.059 -0.893 0.000 0.890 117 L HN -0.102 nan 8.230 nan 0.000 0.432 118 Q N -0.407 119.000 119.800 -0.655 0.000 2.135 118 Q HA -0.147 4.193 4.340 0.001 0.000 0.204 118 Q C 1.865 177.701 176.000 -0.273 0.000 0.981 118 Q CA 2.056 57.561 55.803 -0.497 0.000 0.856 118 Q CB -0.337 28.072 28.738 -0.548 0.000 0.902 118 Q HN 0.586 nan 8.270 nan 0.000 0.425 119 A N -1.112 121.567 122.820 -0.235 0.000 2.218 119 A HA 0.404 4.725 4.320 0.001 0.000 0.209 119 A C 1.495 179.000 177.584 -0.133 0.000 1.168 119 A CA 0.678 52.627 52.037 -0.146 0.000 0.804 119 A CB -0.513 18.421 19.000 -0.109 0.000 0.834 119 A HN 0.715 nan 8.150 nan 0.000 0.482 120 G N -0.494 108.206 108.800 -0.168 0.000 2.147 120 G HA2 -0.254 3.707 3.960 0.001 0.000 0.244 120 G HA3 -0.254 3.707 3.960 0.001 0.000 0.244 120 G C 0.178 175.014 174.900 -0.106 0.000 1.005 120 G CA 0.288 45.307 45.100 -0.135 0.000 0.713 120 G HN 0.621 nan 8.290 nan 0.000 0.515 121 R N 0.223 120.655 120.500 -0.113 0.000 2.457 121 R HA 0.422 4.762 4.340 0.001 0.000 0.284 121 R C 0.573 176.828 176.300 -0.074 0.000 1.024 121 R CA -0.623 55.430 56.100 -0.077 0.000 1.025 121 R CB 1.030 31.291 30.300 -0.065 0.000 1.063 121 R HN 0.485 nan 8.270 nan 0.000 0.493 122 E N 2.364 122.541 120.200 -0.038 0.000 2.452 122 E HA -0.113 4.238 4.350 0.001 0.000 0.261 122 E C -0.389 176.212 176.600 0.002 0.000 0.987 122 E CA -0.124 56.268 56.400 -0.014 0.000 0.926 122 E CB 0.702 30.408 29.700 0.010 0.000 0.934 122 E HN 0.199 nan 8.360 nan 0.000 0.452 123 Q N 2.292 122.107 119.800 0.025 0.000 2.395 123 Q HA 0.014 4.354 4.340 0.001 0.000 0.271 123 Q C 0.571 176.657 176.000 0.144 0.000 1.026 123 Q CA 0.613 56.463 55.803 0.078 0.000 0.900 123 Q CB 1.438 30.267 28.738 0.153 0.000 1.266 123 Q HN 0.742 nan 8.270 nan 0.000 0.430 124 A N 3.061 125.974 122.820 0.156 0.000 1.968 124 A HA -0.119 4.201 4.320 0.001 0.000 0.217 124 A C 0.853 178.551 177.584 0.190 0.000 1.169 124 A CA 0.794 52.917 52.037 0.144 0.000 0.638 124 A CB -0.240 18.832 19.000 0.120 0.000 0.812 124 A HN 0.711 nan 8.150 nan 0.000 0.446 125 H N 0.543 119.754 119.070 0.235 0.000 2.899 125 H HA 0.184 4.740 4.556 0.001 0.000 0.303 125 H C -1.919 173.569 175.328 0.267 0.000 1.042 125 H CA -1.894 54.317 56.048 0.272 0.000 1.479 125 H CB 1.236 31.236 29.762 0.397 0.000 1.493 125 H HN 0.047 nan 8.280 nan 0.000 0.534 126 P HA -0.156 nan 4.420 nan 0.000 0.218 126 P C 1.454 178.980 177.300 0.377 0.000 1.148 126 P CA 1.045 64.300 63.100 0.258 0.000 0.822 126 P CB -0.077 31.705 31.700 0.137 0.000 0.784 127 W N -0.976 120.585 121.300 0.435 0.000 2.358 127 W HA -0.091 4.569 4.660 0.001 0.000 0.303 127 W C 1.951 178.455 176.519 -0.024 0.000 1.208 127 W CA 1.241 58.665 57.345 0.130 0.000 1.274 127 W CB -1.010 28.439 29.460 -0.017 0.000 1.138 127 W HN -0.063 nan 8.180 nan 0.000 0.515 128 W N -0.158 121.302 121.300 0.267 0.000 2.402 128 W HA -0.106 4.554 4.660 0.000 0.000 0.286 128 W C 2.564 179.042 176.519 -0.069 0.000 1.221 128 W CA 1.369 58.725 57.345 0.019 0.000 1.257 128 W CB -0.684 28.830 29.460 0.090 0.000 1.120 128 W HN -0.077 nan 8.180 nan 0.000 0.551 129 A N 0.161 123.129 122.820 0.246 0.000 1.902 129 A HA -0.179 4.141 4.320 0.001 0.000 0.217 129 A C 1.897 179.488 177.584 0.011 0.000 1.181 129 A CA 1.412 53.520 52.037 0.119 0.000 0.623 129 A CB -0.937 18.132 19.000 0.115 0.000 0.818 129 A HN 0.272 nan 8.150 nan 0.000 0.443 130 L N -0.862 120.308 121.223 -0.089 0.000 2.023 130 L HA -0.118 4.222 4.340 0.001 0.000 0.205 130 L C 2.565 179.167 176.870 -0.446 0.000 1.073 130 L CA 1.030 55.749 54.840 -0.202 0.000 0.745 130 L CB -0.720 41.219 42.059 -0.200 0.000 0.900 130 L HN 0.226 nan 8.230 nan 0.000 0.435 131 V N 0.453 119.855 119.914 -0.853 0.000 2.287 131 V HA -0.303 3.818 4.120 0.001 0.000 0.248 131 V C 2.218 178.152 176.094 -0.266 0.000 1.053 131 V CA 1.987 63.721 62.300 -0.944 0.000 1.027 131 V CB -0.670 30.303 31.823 -1.417 0.000 0.646 131 V HN 0.482 nan 8.190 nan 0.000 0.447 132 N N -0.324 118.388 118.700 0.019 0.000 2.270 132 N HA -0.139 4.601 4.740 0.001 0.000 0.181 132 N C 1.889 177.478 175.510 0.132 0.000 1.016 132 N CA 1.254 54.430 53.050 0.209 0.000 0.870 132 N CB -0.222 38.371 38.487 0.177 0.000 0.979 132 N HN 0.690 nan 8.380 nan 0.000 0.431 133 E N -0.236 120.000 120.200 0.061 0.000 2.150 133 E HA -0.198 4.152 4.350 0.001 0.000 0.193 133 E C 1.647 178.307 176.600 0.101 0.000 0.985 133 E CA 0.824 57.262 56.400 0.064 0.000 0.814 133 E CB -0.037 29.694 29.700 0.051 0.000 0.752 133 E HN 0.464 nan 8.360 nan 0.000 0.466 134 H N -0.881 118.193 119.070 0.007 0.000 2.525 134 H HA -0.043 4.513 4.556 0.000 0.000 0.275 134 H C 1.598 176.970 175.328 0.074 0.000 0.984 134 H CA 0.326 56.389 56.048 0.025 0.000 1.264 134 H CB -0.006 29.763 29.762 0.012 0.000 1.432 134 H HN 0.176 nan 8.280 nan 0.000 0.549 135 F N 2.143 122.039 119.950 -0.089 0.000 2.111 135 F HA -0.143 4.385 4.527 0.000 0.000 0.300 135 F C -0.803 174.879 175.800 -0.198 0.000 1.088 135 F CA 1.164 59.093 58.000 -0.118 0.000 1.243 135 F CB -1.407 37.578 39.000 -0.024 0.000 0.996 135 F HN 0.305 nan 8.300 nan 0.000 0.483 136 P HA -0.145 nan 4.420 nan 0.000 0.219 136 P C 1.226 178.462 177.300 -0.107 0.000 1.146 136 P CA 1.492 64.566 63.100 -0.044 0.000 0.808 136 P CB -0.064 31.604 31.700 -0.053 0.000 0.779 137 N N -1.238 117.322 118.700 -0.232 0.000 2.396 137 N HA -0.058 4.682 4.740 0.001 0.000 0.180 137 N C 1.497 176.943 175.510 -0.107 0.000 1.028 137 N CA 0.813 53.716 53.050 -0.244 0.000 0.893 137 N CB -0.506 37.751 38.487 -0.384 0.000 0.967 137 N HN 0.092 nan 8.380 nan 0.000 0.440 138 V N 0.797 120.684 119.914 -0.044 0.000 2.492 138 V HA 0.036 4.156 4.120 0.001 0.000 0.241 138 V C 2.258 178.548 176.094 0.327 0.000 1.041 138 V CA 0.601 63.013 62.300 0.186 0.000 1.057 138 V CB -0.285 31.592 31.823 0.090 0.000 0.711 138 V HN 0.151 nan 8.190 nan 0.000 0.468 139 L N 1.088 122.431 121.223 0.201 0.000 2.191 139 L HA -0.154 4.186 4.340 0.001 0.000 0.212 139 L C 2.769 179.716 176.870 0.128 0.000 1.103 139 L CA 1.658 56.607 54.840 0.181 0.000 0.769 139 L CB -0.751 41.293 42.059 -0.025 0.000 0.908 139 L HN 0.466 nan 8.230 nan 0.000 0.438 140 R N -0.652 119.827 120.500 -0.035 0.000 2.249 140 R HA -0.169 4.172 4.340 0.001 0.000 0.230 140 R C 1.503 177.664 176.300 -0.232 0.000 1.121 140 R CA 1.271 57.277 56.100 -0.157 0.000 0.997 140 R CB -0.638 29.504 30.300 -0.263 0.000 0.867 140 R HN 0.488 nan 8.270 nan 0.000 0.465 141 H N -0.609 118.360 119.070 -0.167 0.000 2.548 141 H HA 0.183 4.740 4.556 0.001 0.000 0.265 141 H C -0.265 174.662 175.328 -0.667 0.000 0.969 141 H CA 0.380 56.144 56.048 -0.474 0.000 1.155 141 H CB 0.115 29.404 29.762 -0.789 0.000 1.394 141 H HN 0.118 nan 8.280 nan 0.000 0.570 142 F N -0.530 119.499 119.950 0.130 0.000 2.593 142 F HA 0.517 5.045 4.527 0.001 0.000 0.320 142 F C 1.125 176.976 175.800 0.084 0.000 1.060 142 F CA -1.131 56.940 58.000 0.119 0.000 0.940 142 F CB 1.046 40.106 39.000 0.101 0.000 1.268 142 F HN -0.130 nan 8.300 nan 0.000 0.475 143 G N 0.624 109.614 108.800 0.317 0.000 2.588 143 G HA2 0.351 4.311 3.960 0.001 0.000 0.281 143 G HA3 0.351 4.311 3.960 0.001 0.000 0.281 143 G C -1.813 173.202 174.900 0.191 0.000 1.236 143 G CA -1.186 44.042 45.100 0.213 0.000 0.969 143 G HN 0.416 nan 8.290 nan 0.000 0.504 144 P HA -0.213 nan 4.420 nan 0.000 0.216 144 P C 1.617 179.013 177.300 0.161 0.000 1.153 144 P CA 1.154 64.333 63.100 0.132 0.000 0.858 144 P CB 0.038 31.815 31.700 0.127 0.000 0.789 145 F N 0.751 120.755 119.950 0.090 0.000 2.084 145 F HA -0.156 4.372 4.527 0.001 0.000 0.296 145 F C 2.390 178.200 175.800 0.016 0.000 1.111 145 F CA 1.326 59.372 58.000 0.077 0.000 1.224 145 F CB -1.130 37.943 39.000 0.122 0.000 0.991 145 F HN -0.048 nan 8.300 nan 0.000 0.471 146 C N -0.267 119.014 119.300 -0.031 0.000 2.425 146 C HA -0.141 4.320 4.460 0.001 0.000 0.277 146 C C 3.049 177.887 174.990 -0.253 0.000 1.280 146 C CA 1.474 60.383 59.018 -0.181 0.000 1.744 146 C CB -1.396 26.376 27.740 0.052 0.000 1.989 146 C HN 0.559 nan 8.230 nan 0.000 0.491 147 S N 0.842 116.471 115.700 -0.118 0.000 2.356 147 S HA -0.178 4.292 4.470 0.001 0.000 0.223 147 S C 1.731 176.210 174.600 -0.202 0.000 1.032 147 S CA 1.427 59.539 58.200 -0.147 0.000 1.005 147 S CB -0.523 62.642 63.200 -0.059 0.000 0.867 147 S HN 0.553 nan 8.310 nan 0.000 0.449 148 L N 2.933 124.050 121.223 -0.177 0.000 2.081 148 L HA -0.121 4.220 4.340 0.001 0.000 0.212 148 L C 1.746 178.513 176.870 -0.171 0.000 1.080 148 L CA 1.738 56.483 54.840 -0.157 0.000 0.754 148 L CB -0.932 41.056 42.059 -0.119 0.000 0.893 148 L HN 0.246 nan 8.230 nan 0.000 0.433 149 N N -0.635 117.899 118.700 -0.277 0.000 2.120 149 N HA -0.171 4.569 4.740 0.001 0.000 0.188 149 N C 1.786 177.258 175.510 -0.063 0.000 1.024 149 N CA 1.635 54.567 53.050 -0.197 0.000 0.852 149 N CB -0.159 38.127 38.487 -0.334 0.000 1.003 149 N HN 0.290 nan 8.380 nan 0.000 0.424 150 L N 1.418 122.573 121.223 -0.114 0.000 2.056 150 L HA -0.041 4.299 4.340 0.001 0.000 0.207 150 L C 2.245 179.217 176.870 0.171 0.000 1.078 150 L CA 0.979 55.820 54.840 0.002 0.000 0.749 150 L CB -0.502 41.499 42.059 -0.096 0.000 0.901 150 L HN 0.133 nan 8.230 nan 0.000 0.433 151 I N -1.120 119.450 120.570 -0.001 0.000 2.226 151 I HA -0.304 3.867 4.170 0.001 0.000 0.245 151 I C 2.632 178.863 176.117 0.192 0.000 1.100 151 I CA 1.151 62.474 61.300 0.039 0.000 1.374 151 I CB -0.333 37.554 38.000 -0.188 0.000 1.057 151 I HN 0.219 nan 8.210 nan 0.000 0.413 152 R N 0.088 120.658 120.500 0.116 0.000 2.073 152 R HA -0.147 4.194 4.340 0.001 0.000 0.234 152 R C 2.564 178.973 176.300 0.182 0.000 1.134 152 R CA 1.708 57.889 56.100 0.135 0.000 0.952 152 R CB -0.558 29.793 30.300 0.084 0.000 0.850 152 R HN 0.243 nan 8.270 nan 0.000 0.433 153 S N -0.160 115.645 115.700 0.174 0.000 2.399 153 S HA -0.123 4.347 4.470 0.001 0.000 0.231 153 S C 1.722 176.515 174.600 0.323 0.000 1.022 153 S CA 1.708 60.017 58.200 0.181 0.000 0.983 153 S CB -0.130 63.172 63.200 0.171 0.000 0.803 153 S HN 0.320 nan 8.310 nan 0.000 0.480 154 T N 2.031 116.846 114.554 0.435 0.000 2.904 154 T HA 0.063 4.413 4.350 0.001 0.000 0.267 154 T C 1.569 176.684 174.700 0.691 0.000 1.059 154 T CA 0.977 63.427 62.100 0.583 0.000 1.137 154 T CB -0.245 69.041 68.868 0.697 0.000 0.879 154 T HN 0.283 nan 8.240 nan 0.000 0.467 155 L N 1.554 123.142 121.223 0.609 0.000 2.109 155 L HA 0.037 4.378 4.340 0.001 0.000 0.207 155 L C 1.621 178.754 176.870 0.437 0.000 1.086 155 L CA 1.730 56.930 54.840 0.601 0.000 0.760 155 L CB -0.628 41.656 42.059 0.374 0.000 0.910 155 L HN 0.014 nan 8.230 nan 0.000 0.437 156 D N -0.936 119.647 120.400 0.305 0.000 2.117 156 D HA -0.229 4.412 4.640 0.001 0.000 0.198 156 D C 1.985 178.391 176.300 0.177 0.000 0.982 156 D CA 1.388 55.493 54.000 0.175 0.000 0.828 156 D CB -0.339 40.507 40.800 0.076 0.000 0.967 156 D HN 0.376 nan 8.370 nan 0.000 0.464 157 F N 0.508 120.537 119.950 0.132 0.000 2.134 157 F HA -0.176 4.351 4.527 0.001 0.000 0.299 157 F C 2.067 177.875 175.800 0.014 0.000 1.097 157 F CA 0.980 59.021 58.000 0.067 0.000 1.264 157 F CB -0.479 38.590 39.000 0.115 0.000 1.001 157 F HN -0.087 nan 8.300 nan 0.000 0.479 158 F N 1.319 121.229 119.950 -0.066 0.000 2.126 158 F HA -0.214 4.313 4.527 0.001 0.000 0.299 158 F C 2.557 178.273 175.800 -0.140 0.000 1.096 158 F CA 2.224 60.060 58.000 -0.274 0.000 1.255 158 F CB -0.663 38.344 39.000 0.012 0.000 0.997 158 F HN 0.189 nan 8.300 nan 0.000 0.479 159 E N -0.361 119.941 120.200 0.170 0.000 2.150 159 E HA -0.110 4.241 4.350 0.001 0.000 0.193 159 E C 2.452 178.996 176.600 -0.093 0.000 0.985 159 E CA 1.017 57.487 56.400 0.116 0.000 0.814 159 E CB -0.627 29.134 29.700 0.102 0.000 0.752 159 E HN 0.503 nan 8.360 nan 0.000 0.466 160 G N 0.407 109.079 108.800 -0.214 0.000 2.418 160 G HA2 -0.277 3.683 3.960 0.001 0.000 0.217 160 G HA3 -0.277 3.683 3.960 0.001 0.000 0.217 160 G C 1.657 176.367 174.900 -0.317 0.000 1.158 160 G CA 0.922 45.855 45.100 -0.279 0.000 0.771 160 G HN 0.398 nan 8.290 nan 0.000 0.545 161 C N -0.919 118.058 119.300 -0.538 0.000 2.435 161 C HA 0.026 4.487 4.460 0.001 0.000 0.279 161 C C 2.318 177.161 174.990 -0.244 0.000 1.321 161 C CA 0.071 58.785 59.018 -0.506 0.000 1.752 161 C CB -0.977 26.273 27.740 -0.815 0.000 1.959 161 C HN 0.665 nan 8.230 nan 0.000 0.500 162 W N 1.875 122.908 121.300 -0.445 0.000 2.354 162 W HA -0.082 4.579 4.660 0.001 0.000 0.315 162 W C 2.088 178.593 176.519 -0.022 0.000 1.206 162 W CA 1.260 58.459 57.345 -0.242 0.000 1.290 162 W CB -1.027 28.309 29.460 -0.207 0.000 1.152 162 W HN 0.291 nan 8.180 nan 0.000 0.489 163 I N 0.728 121.395 120.570 0.162 0.000 2.264 163 I HA -0.313 3.857 4.170 0.001 0.000 0.248 163 I C 2.175 178.423 176.117 0.219 0.000 1.111 163 I CA 1.688 63.051 61.300 0.105 0.000 1.382 163 I CB -0.649 37.362 38.000 0.019 0.000 1.060 163 I HN -0.012 nan 8.210 nan 0.000 0.418 164 E N 0.535 120.806 120.200 0.117 0.000 2.338 164 E HA -0.205 4.146 4.350 0.001 0.000 0.197 164 E C 1.924 178.601 176.600 0.128 0.000 1.007 164 E CA 0.551 57.015 56.400 0.107 0.000 0.849 164 E CB -0.106 29.592 29.700 -0.002 0.000 0.774 164 E HN 0.623 nan 8.360 nan 0.000 0.506 165 Q N -0.333 119.557 119.800 0.151 0.000 2.439 165 Q HA -0.137 4.203 4.340 0.001 0.000 0.211 165 Q C 0.809 176.821 176.000 0.020 0.000 0.978 165 Q CA 0.866 56.699 55.803 0.050 0.000 0.897 165 Q CB -0.012 28.726 28.738 0.001 0.000 0.956 165 Q HN 0.430 nan 8.270 nan 0.000 0.483 166 Y N 0.386 120.727 120.300 0.069 0.000 2.466 166 Y HA 0.087 4.637 4.550 0.001 0.000 0.272 166 Y C 0.337 176.298 175.900 0.101 0.000 1.169 166 Y CA -0.368 57.772 58.100 0.066 0.000 1.285 166 Y CB 0.200 38.680 38.460 0.033 0.000 1.078 166 Y HN 0.086 nan 8.280 nan 0.000 0.523 167 N N 0.645 119.477 118.700 0.221 0.000 2.707 167 N HA -0.270 4.471 4.740 0.001 0.000 0.253 167 N C -0.904 174.746 175.510 0.234 0.000 0.998 167 N CA 0.746 53.897 53.050 0.168 0.000 0.751 167 N CB -1.408 37.136 38.487 0.094 0.000 0.920 167 N HN 0.233 nan 8.380 nan 0.000 0.539 168 F N 0.026 120.027 119.950 0.085 0.000 2.404 168 F HA 0.533 5.060 4.527 0.001 0.000 0.354 168 F C 1.421 177.234 175.800 0.022 0.000 1.122 168 F CA -0.793 57.200 58.000 -0.012 0.000 1.080 168 F CB 1.031 39.970 39.000 -0.102 0.000 1.131 168 F HN 0.011 nan 8.300 nan 0.000 0.471 169 G N 3.010 111.515 108.800 -0.491 0.000 3.042 169 G HA2 0.422 4.382 3.960 0.001 0.000 0.212 169 G HA3 0.422 4.382 3.960 0.001 0.000 0.212 169 G C 0.478 174.984 174.900 -0.657 0.000 1.166 169 G CA 0.231 45.133 45.100 -0.329 0.000 0.767 169 G HN 1.358 nan 8.290 nan 0.000 0.546 170 G N -0.826 106.804 108.800 -1.950 0.000 2.650 170 G HA2 0.003 3.963 3.960 0.001 0.000 0.686 170 G HA3 0.003 3.963 3.960 0.001 0.000 0.686 170 G C -0.619 173.659 174.900 -1.037 0.000 1.205 170 G CA -1.136 42.886 45.100 -1.797 0.000 0.781 170 G HN 0.187 nan 8.290 nan 0.000 0.648 171 F N 1.405 121.127 119.950 -0.379 0.000 2.443 171 F HA 0.451 4.979 4.527 0.001 0.000 0.353 171 F C -1.288 174.460 175.800 -0.086 0.000 1.101 171 F CA -1.878 56.068 58.000 -0.090 0.000 1.226 171 F CB 0.824 39.846 39.000 0.037 0.000 1.140 171 F HN 0.163 nan 8.300 nan 0.000 0.557 172 P HA 0.150 nan 4.420 nan 0.000 0.260 172 P C 0.645 177.981 177.300 0.061 0.000 1.185 172 P CA 1.263 64.418 63.100 0.091 0.000 0.763 172 P CB 0.313 32.060 31.700 0.078 0.000 0.776 173 G N 2.539 111.352 108.800 0.022 0.000 2.195 173 G HA2 -0.240 3.720 3.960 0.001 0.000 0.224 173 G HA3 -0.240 3.720 3.960 0.001 0.000 0.224 173 G C 0.631 175.343 174.900 -0.313 0.000 0.990 173 G CA 0.084 45.082 45.100 -0.171 0.000 0.639 173 G HN 0.623 nan 8.290 nan 0.000 0.514 174 S N 1.287 116.955 115.700 -0.052 0.000 4.087 174 S HA 0.405 4.876 4.470 0.001 0.000 0.213 174 S C 1.755 176.443 174.600 0.147 0.000 1.415 174 S CA -0.018 58.203 58.200 0.034 0.000 0.893 174 S CB -0.384 62.895 63.200 0.131 0.000 1.529 174 S HN 0.375 nan 8.310 nan 0.000 0.457 175 H N 1.775 120.931 119.070 0.143 0.000 2.426 175 H HA -0.068 4.488 4.556 0.001 0.000 0.298 175 H C 1.451 176.895 175.328 0.193 0.000 1.107 175 H CA 1.323 57.467 56.048 0.159 0.000 1.298 175 H CB -0.039 29.792 29.762 0.115 0.000 1.377 175 H HN 0.573 nan 8.280 nan 0.000 0.519 176 D N -0.314 120.253 120.400 0.279 0.000 2.347 176 D HA -0.115 4.526 4.640 0.001 0.000 0.215 176 D C 1.893 178.345 176.300 0.252 0.000 0.976 176 D CA 0.208 54.347 54.000 0.230 0.000 0.884 176 D CB -0.169 40.718 40.800 0.144 0.000 0.915 176 D HN 0.368 nan 8.370 nan 0.000 0.526 177 Y N 1.907 122.297 120.300 0.151 0.000 2.114 177 Y HA -0.123 4.428 4.550 0.001 0.000 0.284 177 Y C -0.902 175.145 175.900 0.244 0.000 1.143 177 Y CA 1.551 59.759 58.100 0.179 0.000 1.135 177 Y CB -1.181 37.335 38.460 0.094 0.000 0.980 177 Y HN 0.003 nan 8.280 nan 0.000 0.499 178 P HA -0.236 nan 4.420 nan 0.000 0.215 178 P C 1.189 178.433 177.300 -0.094 0.000 1.163 178 P CA 2.677 65.739 63.100 -0.062 0.000 0.894 178 P CB -0.120 31.581 31.700 0.002 0.000 0.791 179 Q N -2.464 117.384 119.800 0.081 0.000 2.311 179 Q HA -0.088 4.252 4.340 0.001 0.000 0.203 179 Q C 1.961 177.993 176.000 0.054 0.000 0.954 179 Q CA 0.600 56.466 55.803 0.105 0.000 0.885 179 Q CB -0.500 28.383 28.738 0.241 0.000 0.963 179 Q HN 0.277 nan 8.270 nan 0.000 0.471 180 F N 1.254 121.150 119.950 -0.090 0.000 2.075 180 F HA -0.225 4.303 4.527 0.001 0.000 0.297 180 F C 1.822 177.511 175.800 -0.184 0.000 1.113 180 F CA 1.023 58.959 58.000 -0.108 0.000 1.218 180 F CB -0.314 38.627 39.000 -0.098 0.000 0.984 180 F HN 0.042 nan 8.300 nan 0.000 0.472 181 L N 1.086 122.007 121.223 -0.503 0.000 2.005 181 L HA -0.093 4.248 4.340 0.001 0.000 0.207 181 L C 2.605 179.265 176.870 -0.349 0.000 1.072 181 L CA 1.966 56.452 54.840 -0.589 0.000 0.744 181 L CB -1.060 40.663 42.059 -0.560 0.000 0.895 181 L HN 0.167 nan 8.230 nan 0.000 0.433 182 R N -0.161 120.204 120.500 -0.224 0.000 2.105 182 R HA -0.181 4.160 4.340 0.001 0.000 0.239 182 R C 2.477 178.708 176.300 -0.114 0.000 1.135 182 R CA 1.824 57.852 56.100 -0.119 0.000 0.967 182 R CB -0.477 29.787 30.300 -0.061 0.000 0.861 182 R HN 0.368 nan 8.270 nan 0.000 0.442 183 R N -1.144 119.266 120.500 -0.151 0.000 2.115 183 R HA -0.024 4.316 4.340 0.001 0.000 0.226 183 R C 2.059 178.258 176.300 -0.167 0.000 1.100 183 R CA 1.453 57.469 56.100 -0.141 0.000 0.980 183 R CB -0.205 30.026 30.300 -0.116 0.000 0.875 183 R HN 0.206 nan 8.270 nan 0.000 0.445 184 M N 1.323 120.758 119.600 -0.275 0.000 2.117 184 M HA -0.143 4.338 4.480 0.001 0.000 0.262 184 M C 0.929 177.168 176.300 -0.103 0.000 1.065 184 M CA 1.842 56.979 55.300 -0.273 0.000 1.114 184 M CB -0.000 32.291 32.600 -0.513 0.000 1.361 184 M HN 0.167 nan 8.290 nan 0.000 0.408 185 N N -1.288 117.370 118.700 -0.069 0.000 2.230 185 N HA 0.212 4.952 4.740 0.001 0.000 0.202 185 N C 1.300 176.964 175.510 0.257 0.000 1.119 185 N CA 0.606 53.721 53.050 0.110 0.000 0.851 185 N CB -0.929 37.549 38.487 -0.015 0.000 0.990 185 N HN 0.308 nan 8.380 nan 0.000 0.497 186 G N 0.041 108.912 108.800 0.118 0.000 2.572 186 G HA2 0.042 4.003 3.960 0.001 0.000 0.216 186 G HA3 0.042 4.003 3.960 0.001 0.000 0.216 186 G C 0.618 175.587 174.900 0.114 0.000 1.133 186 G CA 0.112 45.275 45.100 0.104 0.000 0.791 186 G HN 0.334 nan 8.290 nan 0.000 0.538 187 L N -0.711 120.594 121.223 0.136 0.000 4.232 187 L HA -0.241 4.099 4.340 0.001 0.000 0.415 187 L C 2.222 179.158 176.870 0.110 0.000 1.168 187 L CA -0.019 54.903 54.840 0.138 0.000 0.966 187 L CB -1.546 40.581 42.059 0.112 0.000 2.052 187 L HN 0.298 nan 8.230 nan 0.000 0.887 188 G N -0.750 108.091 108.800 0.069 0.000 2.476 188 G HA2 -0.265 3.696 3.960 0.001 0.000 0.218 188 G HA3 -0.265 3.696 3.960 0.001 0.000 0.218 188 G C 1.047 176.047 174.900 0.167 0.000 1.164 188 G CA 1.342 46.491 45.100 0.082 0.000 0.768 188 G HN 0.742 nan 8.290 nan 0.000 0.560 189 H N -1.438 117.623 119.070 -0.014 0.000 2.529 189 H HA 0.004 4.561 4.556 0.001 0.000 0.277 189 H C 2.486 177.795 175.328 -0.032 0.000 0.999 189 H CA 0.335 56.360 56.048 -0.038 0.000 1.256 189 H CB 0.150 29.890 29.762 -0.037 0.000 1.402 189 H HN 0.440 nan 8.280 nan 0.000 0.566 190 C N 0.264 119.664 119.300 0.168 0.000 2.518 190 C HA -0.067 4.393 4.460 0.001 0.000 0.279 190 C C 2.718 177.816 174.990 0.181 0.000 1.279 190 C CA 0.304 59.423 59.018 0.168 0.000 1.703 190 C CB -0.945 26.974 27.740 0.298 0.000 2.072 190 C HN 0.284 nan 8.230 nan 0.000 0.487 191 V N 1.589 121.612 119.914 0.181 0.000 2.214 191 V HA -0.071 4.049 4.120 0.001 0.000 0.245 191 V C 2.828 178.821 176.094 -0.169 0.000 1.047 191 V CA 2.531 64.893 62.300 0.103 0.000 0.998 191 V CB -1.690 30.055 31.823 -0.131 0.000 0.633 191 V HN 0.677 nan 8.190 nan 0.000 0.446 192 G N -0.437 108.220 108.800 -0.240 0.000 2.556 192 G HA2 -0.319 3.642 3.960 0.001 0.000 0.220 192 G HA3 -0.319 3.642 3.960 0.001 0.000 0.220 192 G C 1.642 176.463 174.900 -0.133 0.000 1.156 192 G CA 1.422 46.366 45.100 -0.261 0.000 0.766 192 G HN 0.697 nan 8.290 nan 0.000 0.583 193 A N 0.651 123.418 122.820 -0.089 0.000 2.067 193 A HA 0.186 4.507 4.320 0.001 0.000 0.217 193 A C 2.564 180.025 177.584 -0.205 0.000 1.156 193 A CA 1.863 53.865 52.037 -0.059 0.000 0.683 193 A CB -0.350 18.538 19.000 -0.188 0.000 0.808 193 A HN 0.752 nan 8.150 nan 0.000 0.455 194 S N -0.327 115.244 115.700 -0.216 0.000 2.561 194 S HA 0.117 4.587 4.470 0.001 0.000 0.225 194 S C 1.354 176.125 174.600 0.285 0.000 0.977 194 S CA 0.479 58.585 58.200 -0.157 0.000 0.926 194 S CB -0.500 62.796 63.200 0.161 0.000 0.769 194 S HN 0.437 nan 8.310 nan 0.000 0.533 195 L N -0.591 120.445 121.223 -0.311 0.000 2.610 195 L HA 0.212 4.552 4.340 0.001 0.000 0.232 195 L C 0.086 176.255 176.870 -1.169 0.000 1.149 195 L CA 0.157 54.456 54.840 -0.902 0.000 0.872 195 L CB -0.263 40.818 42.059 -1.629 0.000 0.992 195 L HN 0.468 nan 8.230 nan 0.000 0.447 196 W N -0.140 121.191 121.300 0.052 0.000 1.986 196 W HA 0.358 5.018 4.660 0.001 0.000 0.287 196 W C -2.378 174.328 176.519 0.312 0.000 0.866 196 W CA -2.190 55.099 57.345 -0.095 0.000 2.056 196 W CB -0.263 29.049 29.460 -0.247 0.000 2.290 196 W HN -0.218 nan 8.180 nan 0.000 0.396 197 P HA -0.068 nan 4.420 nan 0.000 0.266 197 P C 1.035 178.497 177.300 0.269 0.000 1.195 197 P CA 0.250 63.391 63.100 0.067 0.000 0.768 197 P CB 0.899 32.572 31.700 -0.045 0.000 0.838 198 K N 2.526 123.014 120.400 0.145 0.000 2.362 198 K HA -0.127 4.193 4.320 0.001 0.000 0.200 198 K C 0.926 177.596 176.600 0.117 0.000 1.046 198 K CA 1.404 57.796 56.287 0.176 0.000 0.952 198 K CB -0.219 32.359 32.500 0.130 0.000 0.753 198 K HN 0.389 nan 8.250 nan 0.000 0.466 199 E N 0.647 120.891 120.200 0.073 0.000 2.216 199 E HA -0.118 4.233 4.350 0.001 0.000 0.192 199 E C 1.389 177.993 176.600 0.006 0.000 0.988 199 E CA 0.869 57.288 56.400 0.031 0.000 0.834 199 E CB 0.191 29.900 29.700 0.014 0.000 0.772 199 E HN 0.406 nan 8.360 nan 0.000 0.479 200 Q N -1.151 118.669 119.800 0.033 0.000 2.316 200 Q HA 0.191 4.532 4.340 0.001 0.000 0.235 200 Q C -0.654 175.072 176.000 -0.456 0.000 0.863 200 Q CA 0.316 55.997 55.803 -0.203 0.000 0.939 200 Q CB 0.774 29.368 28.738 -0.241 0.000 1.108 200 Q HN 0.020 nan 8.270 nan 0.000 0.522 201 F N 0.252 120.277 119.950 0.125 0.000 2.578 201 F HA 0.379 4.907 4.527 0.001 0.000 0.311 201 F C -0.184 175.680 175.800 0.108 0.000 1.094 201 F CA -1.452 56.631 58.000 0.139 0.000 0.923 201 F CB 1.237 40.385 39.000 0.246 0.000 1.230 201 F HN -0.204 nan 8.300 nan 0.000 0.450 202 N N 2.467 121.310 118.700 0.239 0.000 2.420 202 N HA 0.059 4.799 4.740 0.001 0.000 0.249 202 N C 0.757 176.362 175.510 0.158 0.000 1.033 202 N CA 0.215 53.359 53.050 0.158 0.000 0.944 202 N CB 1.186 39.728 38.487 0.091 0.000 1.113 202 N HN 0.922 nan 8.380 nan 0.000 0.502 203 E N 3.552 123.855 120.200 0.172 0.000 2.058 203 E HA -0.190 4.160 4.350 0.001 0.000 0.194 203 E C 1.267 177.955 176.600 0.146 0.000 0.997 203 E CA 1.390 57.887 56.400 0.162 0.000 0.801 203 E CB 0.289 30.122 29.700 0.222 0.000 0.746 203 E HN 0.579 nan 8.360 nan 0.000 0.450 204 R N -0.303 120.275 120.500 0.130 0.000 2.092 204 R HA -0.025 4.316 4.340 0.001 0.000 0.231 204 R C 2.532 178.871 176.300 0.065 0.000 1.119 204 R CA 1.380 57.537 56.100 0.094 0.000 0.970 204 R CB -0.048 30.275 30.300 0.038 0.000 0.864 204 R HN 0.058 nan 8.270 nan 0.000 0.440 205 S N 0.741 116.474 115.700 0.056 0.000 2.406 205 S HA 0.043 4.513 4.470 0.001 0.000 0.228 205 S C 1.406 176.026 174.600 0.033 0.000 1.020 205 S CA 0.764 58.985 58.200 0.035 0.000 0.965 205 S CB 0.173 63.394 63.200 0.034 0.000 0.798 205 S HN 0.204 nan 8.310 nan 0.000 0.488 206 L N 0.392 121.633 121.223 0.031 0.000 2.872 206 L HA 0.340 4.680 4.340 0.001 0.000 0.245 206 L C 1.192 178.008 176.870 -0.089 0.000 1.211 206 L CA -0.184 54.635 54.840 -0.035 0.000 1.013 206 L CB -0.236 41.782 42.059 -0.067 0.000 1.326 206 L HN 0.147 nan 8.230 nan 0.000 0.525 207 F N 1.313 121.161 119.950 -0.170 0.000 2.063 207 F HA -0.326 4.201 4.527 0.001 0.000 0.298 207 F C 2.029 177.693 175.800 -0.227 0.000 1.109 207 F CA 2.069 59.920 58.000 -0.249 0.000 1.212 207 F CB 0.023 38.856 39.000 -0.278 0.000 0.973 207 F HN 0.036 nan 8.300 nan 0.000 0.480 208 L N -0.573 120.685 121.223 0.059 0.000 2.131 208 L HA -0.196 4.145 4.340 0.001 0.000 0.210 208 L C 2.209 179.024 176.870 -0.091 0.000 1.092 208 L CA 1.404 56.243 54.840 -0.003 0.000 0.759 208 L CB -0.764 41.310 42.059 0.025 0.000 0.903 208 L HN 0.139 nan 8.230 nan 0.000 0.435 209 E N 0.455 120.583 120.200 -0.120 0.000 2.046 209 E HA -0.106 4.245 4.350 0.001 0.000 0.190 209 E C 2.232 178.692 176.600 -0.232 0.000 0.982 209 E CA 0.930 57.277 56.400 -0.089 0.000 0.800 209 E CB -0.098 29.537 29.700 -0.109 0.000 0.756 209 E HN 0.349 nan 8.360 nan 0.000 0.449 210 I N 0.655 120.924 120.570 -0.501 0.000 2.142 210 I HA -0.303 3.867 4.170 0.001 0.000 0.240 210 I C 2.110 178.028 176.117 -0.331 0.000 1.078 210 I CA 1.439 62.322 61.300 -0.696 0.000 1.343 210 I CB -0.579 36.984 38.000 -0.727 0.000 1.046 210 I HN 0.142 nan 8.210 nan 0.000 0.405 211 T N 0.261 114.622 114.554 -0.322 0.000 2.699 211 T HA -0.180 4.170 4.350 0.001 0.000 0.268 211 T C 2.090 176.734 174.700 -0.093 0.000 1.036 211 T CA 1.925 63.906 62.100 -0.198 0.000 1.147 211 T CB -0.208 68.475 68.868 -0.309 0.000 0.862 211 T HN 0.303 nan 8.240 nan 0.000 0.446 212 S N 1.102 116.777 115.700 -0.042 0.000 2.368 212 S HA 0.047 4.517 4.470 0.001 0.000 0.224 212 S C 2.584 177.302 174.600 0.196 0.000 1.029 212 S CA 0.825 59.073 58.200 0.080 0.000 0.988 212 S CB -0.487 62.767 63.200 0.089 0.000 0.838 212 S HN 0.597 nan 8.310 nan 0.000 0.462 213 A N 1.651 124.559 122.820 0.146 0.000 1.902 213 A HA -0.041 4.279 4.320 0.001 0.000 0.217 213 A C 2.055 179.611 177.584 -0.048 0.000 1.181 213 A CA 1.145 53.162 52.037 -0.033 0.000 0.623 213 A CB -0.738 18.178 19.000 -0.139 0.000 0.818 213 A HN 0.464 nan 8.150 nan 0.000 0.443 214 I N -0.204 120.329 120.570 -0.063 0.000 2.127 214 I HA -0.328 3.842 4.170 0.001 0.000 0.241 214 I C 3.020 179.044 176.117 -0.156 0.000 1.075 214 I CA 1.255 62.469 61.300 -0.143 0.000 1.334 214 I CB -0.441 37.421 38.000 -0.230 0.000 1.040 214 I HN 0.370 nan 8.210 nan 0.000 0.405 215 A N 0.121 122.874 122.820 -0.112 0.000 1.908 215 A HA -0.257 4.064 4.320 0.001 0.000 0.218 215 A C 2.246 179.833 177.584 0.005 0.000 1.181 215 A CA 1.736 53.741 52.037 -0.053 0.000 0.627 215 A CB -0.565 18.430 19.000 -0.008 0.000 0.818 215 A HN 0.543 nan 8.150 nan 0.000 0.445 216 Q N -2.149 117.677 119.800 0.044 0.000 2.163 216 Q HA -0.004 4.336 4.340 0.001 0.000 0.198 216 Q C 2.050 178.086 176.000 0.061 0.000 0.954 216 Q CA 1.188 57.041 55.803 0.084 0.000 0.851 216 Q CB -0.208 28.634 28.738 0.175 0.000 0.928 216 Q HN 0.596 nan 8.270 nan 0.000 0.459 217 M N 1.637 121.228 119.600 -0.015 0.000 2.175 217 M HA -0.173 4.307 4.480 0.001 0.000 0.264 217 M C 1.896 178.184 176.300 -0.019 0.000 1.063 217 M CA 1.594 56.865 55.300 -0.048 0.000 1.119 217 M CB -0.193 32.264 32.600 -0.238 0.000 1.377 217 M HN 0.196 nan 8.290 nan 0.000 0.415 218 E N -0.284 119.889 120.200 -0.045 0.000 2.065 218 E HA -0.286 4.064 4.350 0.001 0.000 0.201 218 E C 1.564 178.074 176.600 -0.151 0.000 1.016 218 E CA 1.976 58.353 56.400 -0.038 0.000 0.818 218 E CB -0.186 29.552 29.700 0.064 0.000 0.749 218 E HN 0.566 nan 8.360 nan 0.000 0.453 219 N N -0.387 118.166 118.700 -0.245 0.000 2.216 219 N HA -0.133 4.608 4.740 0.001 0.000 0.183 219 N C 1.340 176.608 175.510 -0.402 0.000 1.017 219 N CA 1.147 53.784 53.050 -0.689 0.000 0.861 219 N CB -0.622 37.292 38.487 -0.956 0.000 0.986 219 N HN 0.361 nan 8.380 nan 0.000 0.428 220 W N 2.147 123.372 121.300 -0.126 0.000 2.333 220 W HA -0.082 4.578 4.660 0.001 0.000 0.316 220 W C 2.408 178.978 176.519 0.086 0.000 1.215 220 W CA 1.398 58.796 57.345 0.088 0.000 1.278 220 W CB -0.340 29.168 29.460 0.079 0.000 1.154 220 W HN -0.068 nan 8.180 nan 0.000 0.486 221 M N 0.786 120.540 119.600 0.256 0.000 2.080 221 M HA -0.191 4.289 4.480 0.001 0.000 0.260 221 M C 1.988 178.333 176.300 0.075 0.000 1.068 221 M CA 2.694 58.058 55.300 0.107 0.000 1.109 221 M CB -1.359 31.257 32.600 0.027 0.000 1.342 221 M HN 0.106 nan 8.290 nan 0.000 0.405 222 V N -2.168 117.738 119.914 -0.014 0.000 2.379 222 V HA -0.186 3.934 4.120 0.001 0.000 0.245 222 V C 2.071 178.224 176.094 0.097 0.000 1.044 222 V CA 1.215 63.531 62.300 0.027 0.000 1.036 222 V CB -1.526 30.244 31.823 -0.088 0.000 0.664 222 V HN 0.514 nan 8.190 nan 0.000 0.453 223 W N 0.541 121.824 121.300 -0.028 0.000 2.388 223 W HA 0.037 4.698 4.660 0.001 0.000 0.294 223 W C 2.650 179.055 176.519 -0.191 0.000 1.212 223 W CA 1.278 58.575 57.345 -0.081 0.000 1.271 223 W CB -1.151 28.257 29.460 -0.087 0.000 1.126 223 W HN 0.216 nan 8.180 nan 0.000 0.535 224 V N 0.891 120.722 119.914 -0.139 0.000 2.358 224 V HA -0.304 3.816 4.120 0.001 0.000 0.246 224 V C 2.361 178.298 176.094 -0.261 0.000 1.047 224 V CA 2.123 64.196 62.300 -0.378 0.000 1.035 224 V CB -0.944 30.393 31.823 -0.809 0.000 0.658 224 V HN 0.273 nan 8.190 nan 0.000 0.452 225 N N 0.034 118.732 118.700 -0.004 0.000 2.166 225 N HA -0.225 4.515 4.740 0.001 0.000 0.186 225 N C 1.572 177.172 175.510 0.151 0.000 1.019 225 N CA 1.695 54.830 53.050 0.142 0.000 0.856 225 N CB -0.102 38.656 38.487 0.452 0.000 0.993 225 N HN 0.480 nan 8.380 nan 0.000 0.426 226 D N 0.886 121.387 120.400 0.168 0.000 2.097 226 D HA -0.147 4.494 4.640 0.001 0.000 0.195 226 D C 2.049 178.475 176.300 0.210 0.000 0.989 226 D CA 0.588 54.713 54.000 0.208 0.000 0.827 226 D CB -0.091 40.843 40.800 0.222 0.000 0.966 226 D HN 0.256 nan 8.370 nan 0.000 0.456 227 L N 0.786 122.074 121.223 0.108 0.000 2.005 227 L HA -0.118 4.222 4.340 0.001 0.000 0.207 227 L C 2.173 179.214 176.870 0.285 0.000 1.072 227 L CA 1.450 56.367 54.840 0.128 0.000 0.744 227 L CB -0.469 41.553 42.059 -0.060 0.000 0.895 227 L HN -0.084 nan 8.230 nan 0.000 0.433 228 M N -1.223 118.414 119.600 0.062 0.000 2.358 228 M HA -0.088 4.392 4.480 0.001 0.000 0.264 228 M C 2.109 178.553 176.300 0.240 0.000 1.064 228 M CA 1.044 56.393 55.300 0.081 0.000 1.093 228 M CB -1.215 31.117 32.600 -0.446 0.000 1.401 228 M HN 0.290 nan 8.290 nan 0.000 0.440 229 S N -0.241 115.633 115.700 0.292 0.000 2.503 229 S HA 0.041 4.511 4.470 0.001 0.000 0.217 229 S C 1.451 176.251 174.600 0.333 0.000 0.999 229 S CA -0.206 58.232 58.200 0.397 0.000 0.914 229 S CB -0.275 63.162 63.200 0.395 0.000 0.782 229 S HN 0.378 nan 8.310 nan 0.000 0.520 230 F N 1.856 121.947 119.950 0.234 0.000 2.184 230 F HA -0.252 4.276 4.527 0.001 0.000 0.301 230 F C 1.906 177.865 175.800 0.265 0.000 1.076 230 F CA 1.372 59.526 58.000 0.256 0.000 1.295 230 F CB -0.443 38.725 39.000 0.281 0.000 1.026 230 F HN 0.290 nan 8.300 nan 0.000 0.494 231 Y N 1.815 122.081 120.300 -0.057 0.000 2.133 231 Y HA -0.211 4.340 4.550 0.001 0.000 0.287 231 Y C 2.593 178.292 175.900 -0.335 0.000 1.134 231 Y CA 2.439 60.222 58.100 -0.529 0.000 1.133 231 Y CB -0.853 37.166 38.460 -0.735 0.000 0.987 231 Y HN 0.222 nan 8.280 nan 0.000 0.502 232 K N -0.018 120.227 120.400 -0.258 0.000 2.211 232 K HA -0.152 4.168 4.320 0.001 0.000 0.203 232 K C 1.428 177.889 176.600 -0.231 0.000 1.050 232 K CA 2.000 58.113 56.287 -0.289 0.000 0.945 232 K CB -0.380 32.064 32.500 -0.093 0.000 0.732 232 K HN 0.448 nan 8.250 nan 0.000 0.451 233 E N -0.068 120.046 120.200 -0.144 0.000 2.385 233 E HA -0.054 4.297 4.350 0.001 0.000 0.194 233 E C 1.527 178.023 176.600 -0.172 0.000 1.013 233 E CA 0.058 56.388 56.400 -0.116 0.000 0.866 233 E CB -0.170 29.514 29.700 -0.026 0.000 0.832 233 E HN 0.225 nan 8.360 nan 0.000 0.500 234 F N 2.640 122.333 119.950 -0.428 0.000 2.063 234 F HA -0.263 4.265 4.527 0.001 0.000 0.298 234 F C 1.632 177.283 175.800 -0.248 0.000 1.109 234 F CA 1.799 59.552 58.000 -0.412 0.000 1.212 234 F CB 0.191 38.950 39.000 -0.400 0.000 0.973 234 F HN -0.087 nan 8.300 nan 0.000 0.480 235 D N -0.735 119.565 120.400 -0.165 0.000 2.369 235 D HA -0.025 4.616 4.640 0.001 0.000 0.211 235 D C 0.046 176.247 176.300 -0.164 0.000 1.077 235 D CA 0.190 54.082 54.000 -0.181 0.000 0.842 235 D CB -0.397 40.345 40.800 -0.097 0.000 0.947 235 D HN 0.229 nan 8.370 nan 0.000 0.509 236 D N 1.676 121.978 120.400 -0.163 0.000 2.441 236 D HA -0.029 4.611 4.640 0.001 0.000 0.243 236 D C 0.940 177.176 176.300 -0.107 0.000 1.257 236 D CA 0.160 54.086 54.000 -0.124 0.000 1.027 236 D CB 0.290 41.023 40.800 -0.112 0.000 1.084 236 D HN 0.175 nan 8.370 nan 0.000 0.514 237 E N 1.757 121.899 120.200 -0.097 0.000 2.401 237 E HA -0.179 4.172 4.350 0.001 0.000 0.199 237 E C 1.690 178.254 176.600 -0.060 0.000 1.023 237 E CA 0.334 56.686 56.400 -0.080 0.000 0.859 237 E CB 0.355 30.013 29.700 -0.070 0.000 0.780 237 E HN 0.367 nan 8.360 nan 0.000 0.523 238 R N 1.132 121.596 120.500 -0.059 0.000 2.127 238 R HA -0.060 4.280 4.340 0.001 0.000 0.217 238 R C 0.228 176.504 176.300 -0.039 0.000 1.074 238 R CA 0.582 56.654 56.100 -0.047 0.000 0.991 238 R CB 0.306 30.577 30.300 -0.049 0.000 0.895 238 R HN -0.055 nan 8.270 nan 0.000 0.450 239 D N 0.310 120.684 120.400 -0.043 0.000 2.380 239 D HA 0.036 4.676 4.640 0.001 0.000 0.230 239 D C 0.185 176.471 176.300 -0.023 0.000 1.154 239 D CA 0.022 54.005 54.000 -0.028 0.000 0.859 239 D CB 1.344 42.128 40.800 -0.028 0.000 1.045 239 D HN 0.103 nan 8.370 nan 0.000 0.495 240 Q N 2.746 122.541 119.800 -0.008 0.000 2.402 240 Q HA 0.197 4.537 4.340 0.001 0.000 0.206 240 Q C 0.414 176.421 176.000 0.013 0.000 0.919 240 Q CA 0.417 56.219 55.803 -0.002 0.000 0.923 240 Q CB 0.415 29.157 28.738 0.005 0.000 1.048 240 Q HN 0.641 nan 8.270 nan 0.000 0.515 241 I N -2.400 118.184 120.570 0.024 0.000 2.828 241 I HA 0.748 4.918 4.170 0.001 0.000 0.302 241 I C -0.595 175.546 176.117 0.040 0.000 1.101 241 I CA -1.019 60.303 61.300 0.037 0.000 1.031 241 I CB 2.408 40.443 38.000 0.058 0.000 1.231 241 I HN -0.121 nan 8.210 nan 0.000 0.427 242 S N 3.503 119.226 115.700 0.038 0.000 2.645 242 S HA 0.264 4.734 4.470 0.001 0.000 0.268 242 S C -0.044 174.551 174.600 -0.008 0.000 1.110 242 S CA -0.764 57.462 58.200 0.042 0.000 0.823 242 S CB 1.454 64.706 63.200 0.086 0.000 1.091 242 S HN 0.890 nan 8.310 nan 0.000 0.466 243 L N 1.647 122.847 121.223 -0.038 0.000 1.990 243 L HA 0.002 4.343 4.340 0.001 0.000 0.213 243 L C 2.363 179.038 176.870 -0.326 0.000 1.072 243 L CA 2.356 57.062 54.840 -0.223 0.000 0.755 243 L CB -0.879 41.097 42.059 -0.139 0.000 0.889 243 L HN 0.734 nan 8.230 nan 0.000 0.432 244 V N -0.300 119.600 119.914 -0.024 0.000 2.343 244 V HA -0.282 3.839 4.120 0.001 0.000 0.247 244 V C 2.571 178.770 176.094 0.176 0.000 1.051 244 V CA 2.037 64.437 62.300 0.167 0.000 1.036 244 V CB -0.763 31.244 31.823 0.307 0.000 0.654 244 V HN 0.457 nan 8.190 nan 0.000 0.451 245 K N 0.263 120.740 120.400 0.129 0.000 2.147 245 K HA -0.138 4.182 4.320 0.001 0.000 0.205 245 K C 1.927 178.575 176.600 0.080 0.000 1.049 245 K CA 1.411 57.761 56.287 0.105 0.000 0.936 245 K CB -0.307 32.233 32.500 0.066 0.000 0.722 245 K HN 0.440 nan 8.250 nan 0.000 0.446 246 N N 0.237 118.960 118.700 0.039 0.000 2.331 246 N HA -0.107 4.633 4.740 0.001 0.000 0.180 246 N C 1.611 177.202 175.510 0.134 0.000 1.019 246 N CA 0.955 54.035 53.050 0.051 0.000 0.881 246 N CB -0.258 38.254 38.487 0.041 0.000 0.972 246 N HN 0.184 nan 8.380 nan 0.000 0.435 247 Y N 1.311 121.672 120.300 0.102 0.000 2.145 247 Y HA -0.083 4.468 4.550 0.001 0.000 0.286 247 Y C 2.470 178.415 175.900 0.076 0.000 1.145 247 Y CA 0.211 58.364 58.100 0.088 0.000 1.148 247 Y CB -0.885 37.613 38.460 0.063 0.000 0.981 247 Y HN -0.194 nan 8.280 nan 0.000 0.507 248 V N -0.856 119.206 119.914 0.246 0.000 2.252 248 V HA -0.320 3.800 4.120 0.001 0.000 0.249 248 V C 2.312 178.477 176.094 0.118 0.000 1.056 248 V CA 2.022 64.415 62.300 0.155 0.000 1.022 248 V CB -1.047 30.853 31.823 0.128 0.000 0.641 248 V HN 0.228 nan 8.190 nan 0.000 0.445 249 V N -0.625 119.345 119.914 0.092 0.000 2.379 249 V HA -0.163 3.958 4.120 0.001 0.000 0.245 249 V C 2.425 178.557 176.094 0.062 0.000 1.044 249 V CA 2.158 64.486 62.300 0.046 0.000 1.036 249 V CB -0.432 31.375 31.823 -0.026 0.000 0.664 249 V HN 0.534 nan 8.190 nan 0.000 0.453 250 S N -0.240 115.524 115.700 0.108 0.000 2.395 250 S HA -0.102 4.368 4.470 0.001 0.000 0.225 250 S C 1.555 176.321 174.600 0.276 0.000 1.027 250 S CA 1.052 59.347 58.200 0.159 0.000 0.965 250 S CB -0.175 63.158 63.200 0.220 0.000 0.812 250 S HN 0.588 nan 8.310 nan 0.000 0.482 251 D N 0.744 121.307 120.400 0.272 0.000 2.346 251 D HA 0.078 4.718 4.640 0.001 0.000 0.206 251 D C -0.096 176.307 176.300 0.171 0.000 1.001 251 D CA 0.250 54.396 54.000 0.243 0.000 0.871 251 D CB -0.017 40.816 40.800 0.055 0.000 0.943 251 D HN 0.430 nan 8.370 nan 0.000 0.518 252 E N 0.414 120.696 120.200 0.137 0.000 2.298 252 E HA -0.179 4.171 4.350 0.001 0.000 0.235 252 E C 0.031 176.673 176.600 0.070 0.000 1.167 252 E CA 0.134 56.593 56.400 0.098 0.000 0.708 252 E CB -2.106 27.655 29.700 0.102 0.000 1.236 252 E HN 0.512 nan 8.360 nan 0.000 0.386 253 I N -3.180 117.431 120.570 0.067 0.000 3.145 253 I HA 0.628 4.798 4.170 0.001 0.000 0.313 253 I C 0.635 176.793 176.117 0.069 0.000 1.122 253 I CA -1.063 60.266 61.300 0.048 0.000 0.987 253 I CB 1.948 39.955 38.000 0.011 0.000 1.236 253 I HN 0.049 nan 8.210 nan 0.000 0.453 254 S N 2.180 117.923 115.700 0.071 0.000 2.593 254 S HA 0.140 4.610 4.470 0.001 0.000 0.269 254 S C 0.850 175.529 174.600 0.131 0.000 1.334 254 S CA -0.532 57.729 58.200 0.101 0.000 1.015 254 S CB 1.356 64.625 63.200 0.115 0.000 0.912 254 S HN 0.772 nan 8.310 nan 0.000 0.541 255 L N 1.132 122.457 121.223 0.170 0.000 2.042 255 L HA -0.068 4.273 4.340 0.001 0.000 0.210 255 L C 2.397 179.401 176.870 0.224 0.000 1.076 255 L CA 2.456 57.432 54.840 0.228 0.000 0.749 255 L CB -1.456 40.774 42.059 0.285 0.000 0.893 255 L HN 1.038 nan 8.230 nan 0.000 0.432 256 H N -0.277 118.881 119.070 0.146 0.000 2.353 256 H HA -0.143 4.413 4.556 0.001 0.000 0.300 256 H C 2.082 177.443 175.328 0.054 0.000 1.090 256 H CA 2.253 58.367 56.048 0.109 0.000 1.327 256 H CB 0.076 29.883 29.762 0.076 0.000 1.383 256 H HN 0.534 nan 8.280 nan 0.000 0.508 257 E N -0.348 119.860 120.200 0.014 0.000 2.150 257 E HA -0.120 4.231 4.350 0.001 0.000 0.193 257 E C 2.315 178.843 176.600 -0.119 0.000 0.985 257 E CA 0.680 57.037 56.400 -0.071 0.000 0.814 257 E CB -0.078 29.613 29.700 -0.014 0.000 0.752 257 E HN 0.603 nan 8.360 nan 0.000 0.466 258 A N 1.265 124.059 122.820 -0.044 0.000 1.930 258 A HA -0.121 4.199 4.320 0.001 0.000 0.217 258 A C 2.140 179.692 177.584 -0.054 0.000 1.175 258 A CA 0.795 52.822 52.037 -0.017 0.000 0.627 258 A CB -0.367 18.737 19.000 0.173 0.000 0.815 258 A HN 0.221 nan 8.150 nan 0.000 0.443 259 L N 0.099 121.249 121.223 -0.122 0.000 2.201 259 L HA -0.058 4.283 4.340 0.001 0.000 0.212 259 L C 1.975 178.692 176.870 -0.256 0.000 1.105 259 L CA 1.965 56.633 54.840 -0.287 0.000 0.775 259 L CB -0.574 41.202 42.059 -0.473 0.000 0.913 259 L HN 0.497 nan 8.230 nan 0.000 0.440 260 E N -0.468 119.596 120.200 -0.226 0.000 2.072 260 E HA -0.269 4.081 4.350 0.001 0.000 0.191 260 E C 2.061 178.552 176.600 -0.182 0.000 0.985 260 E CA 1.255 57.562 56.400 -0.154 0.000 0.801 260 E CB -0.063 29.516 29.700 -0.202 0.000 0.750 260 E HN 0.465 nan 8.360 nan 0.000 0.452 261 K N 0.891 121.149 120.400 -0.237 0.000 2.026 261 K HA -0.193 4.128 4.320 0.001 0.000 0.208 261 K C 2.260 178.675 176.600 -0.308 0.000 1.048 261 K CA 0.970 57.074 56.287 -0.304 0.000 0.929 261 K CB -0.135 32.076 32.500 -0.483 0.000 0.713 261 K HN 0.021 nan 8.250 nan 0.000 0.439 262 L N 1.259 122.343 121.223 -0.230 0.000 2.042 262 L HA -0.167 4.174 4.340 0.001 0.000 0.210 262 L C 1.957 178.622 176.870 -0.343 0.000 1.076 262 L CA 2.090 56.776 54.840 -0.256 0.000 0.749 262 L CB -0.937 41.058 42.059 -0.106 0.000 0.893 262 L HN 0.210 nan 8.230 nan 0.000 0.432 263 T N -0.521 113.861 114.554 -0.286 0.000 2.674 263 T HA -0.229 4.121 4.350 0.001 0.000 0.265 263 T C 1.809 176.378 174.700 -0.218 0.000 1.039 263 T CA 1.905 63.843 62.100 -0.269 0.000 1.150 263 T CB -0.252 68.465 68.868 -0.252 0.000 0.864 263 T HN 0.505 nan 8.240 nan 0.000 0.427 264 Q N 0.627 120.315 119.800 -0.186 0.000 2.096 264 Q HA -0.158 4.183 4.340 0.001 0.000 0.204 264 Q C 2.149 178.058 176.000 -0.151 0.000 0.982 264 Q CA 1.382 57.103 55.803 -0.136 0.000 0.850 264 Q CB -0.192 28.464 28.738 -0.136 0.000 0.901 264 Q HN 0.483 nan 8.270 nan 0.000 0.422 265 D N -0.247 119.946 120.400 -0.344 0.000 2.117 265 D HA -0.092 4.548 4.640 0.001 0.000 0.198 265 D C 1.886 177.942 176.300 -0.407 0.000 0.982 265 D CA 1.455 55.114 54.000 -0.569 0.000 0.828 265 D CB -0.097 39.885 40.800 -1.364 0.000 0.967 265 D HN 0.221 nan 8.370 nan 0.000 0.464 266 T N 1.442 115.789 114.554 -0.345 0.000 2.737 266 T HA -0.051 4.300 4.350 0.001 0.000 0.265 266 T C 2.295 176.999 174.700 0.008 0.000 1.038 266 T CA 0.520 62.559 62.100 -0.102 0.000 1.144 266 T CB -0.254 68.501 68.868 -0.187 0.000 0.866 266 T HN 0.101 nan 8.240 nan 0.000 0.434 267 L N 0.209 121.399 121.223 -0.056 0.000 2.017 267 L HA -0.127 4.214 4.340 0.001 0.000 0.208 267 L C 2.684 179.690 176.870 0.227 0.000 1.073 267 L CA 1.695 56.523 54.840 -0.019 0.000 0.745 267 L CB -0.650 41.331 42.059 -0.130 0.000 0.894 267 L HN 0.333 nan 8.230 nan 0.000 0.432 268 H N -0.507 118.626 119.070 0.105 0.000 2.352 268 H HA -0.186 4.370 4.556 0.001 0.000 0.299 268 H C 2.471 177.938 175.328 0.233 0.000 1.097 268 H CA 1.781 57.922 56.048 0.155 0.000 1.311 268 H CB -0.073 29.735 29.762 0.076 0.000 1.377 268 H HN 0.181 nan 8.280 nan 0.000 0.504 269 S N -1.068 114.724 115.700 0.152 0.000 2.382 269 S HA -0.144 4.326 4.470 0.001 0.000 0.228 269 S C 2.291 177.107 174.600 0.359 0.000 1.027 269 S CA 1.378 59.735 58.200 0.261 0.000 0.991 269 S CB -0.416 63.134 63.200 0.583 0.000 0.823 269 S HN 0.566 nan 8.310 nan 0.000 0.469 270 S N 1.304 117.279 115.700 0.458 0.000 2.356 270 S HA -0.083 4.388 4.470 0.001 0.000 0.223 270 S C 1.870 176.646 174.600 0.294 0.000 1.032 270 S CA 1.391 59.877 58.200 0.475 0.000 1.005 270 S CB -0.421 63.099 63.200 0.534 0.000 0.867 270 S HN 0.629 nan 8.310 nan 0.000 0.449 271 K N 0.913 121.500 120.400 0.312 0.000 2.032 271 K HA -0.145 4.175 4.320 0.001 0.000 0.209 271 K C 2.056 178.717 176.600 0.103 0.000 1.048 271 K CA 1.236 57.642 56.287 0.198 0.000 0.927 271 K CB -0.087 32.533 32.500 0.201 0.000 0.712 271 K HN 0.166 nan 8.250 nan 0.000 0.441 272 Q N 0.102 119.935 119.800 0.054 0.000 2.291 272 Q HA -0.147 4.193 4.340 0.001 0.000 0.205 272 Q C 1.894 177.931 176.000 0.063 0.000 0.970 272 Q CA 1.058 56.870 55.803 0.016 0.000 0.876 272 Q CB -0.189 28.502 28.738 -0.079 0.000 0.935 272 Q HN 0.353 nan 8.270 nan 0.000 0.455 273 M N -0.142 119.518 119.600 0.100 0.000 2.099 273 M HA -0.108 4.372 4.480 0.001 0.000 0.262 273 M C 1.924 178.326 176.300 0.169 0.000 1.067 273 M CA 1.271 56.654 55.300 0.140 0.000 1.124 273 M CB -0.328 32.244 32.600 -0.047 0.000 1.353 273 M HN -0.040 nan 8.290 nan 0.000 0.410 274 V N 0.535 120.503 119.914 0.091 0.000 2.295 274 V HA -0.224 3.896 4.120 0.001 0.000 0.246 274 V C 2.577 178.708 176.094 0.061 0.000 1.049 274 V CA 1.848 64.196 62.300 0.079 0.000 1.024 274 V CB -1.846 30.017 31.823 0.067 0.000 0.648 274 V HN 0.631 nan 8.190 nan 0.000 0.447 275 A N -0.467 122.374 122.820 0.036 0.000 1.978 275 A HA -0.154 4.167 4.320 0.001 0.000 0.220 275 A C 2.347 179.900 177.584 -0.050 0.000 1.170 275 A CA 2.175 54.212 52.037 0.000 0.000 0.636 275 A CB -0.529 18.472 19.000 0.003 0.000 0.810 275 A HN 0.367 nan 8.150 nan 0.000 0.448 276 V N -2.222 117.635 119.914 -0.094 0.000 2.500 276 V HA -0.050 4.070 4.120 0.001 0.000 0.243 276 V C 1.864 177.688 176.094 -0.451 0.000 1.039 276 V CA 1.466 63.574 62.300 -0.321 0.000 1.053 276 V CB -0.641 30.869 31.823 -0.521 0.000 0.695 276 V HN 0.570 nan 8.190 nan 0.000 0.463 277 F N 0.568 120.499 119.950 -0.031 0.000 2.749 277 F HA 0.063 4.590 4.527 0.001 0.000 0.300 277 F C 2.497 178.285 175.800 -0.019 0.000 1.103 277 F CA 0.637 58.619 58.000 -0.030 0.000 1.342 277 F CB -0.490 38.488 39.000 -0.036 0.000 1.098 277 F HN 0.174 nan 8.300 nan 0.000 0.586 278 S N -0.023 115.741 115.700 0.106 0.000 2.383 278 S HA -0.229 4.241 4.470 0.001 0.000 0.229 278 S C 1.410 176.038 174.600 0.047 0.000 1.030 278 S CA 1.619 59.860 58.200 0.068 0.000 1.002 278 S CB -0.612 62.612 63.200 0.041 0.000 0.829 278 S HN 0.567 nan 8.310 nan 0.000 0.467 279 D N 0.184 120.596 120.400 0.020 0.000 2.427 279 D HA 0.334 4.975 4.640 0.001 0.000 0.224 279 D C 0.158 176.464 176.300 0.010 0.000 1.157 279 D CA -0.288 53.718 54.000 0.009 0.000 0.828 279 D CB 0.154 40.948 40.800 -0.010 0.000 0.974 279 D HN 0.175 nan 8.370 nan 0.000 0.498 280 K N 0.535 120.959 120.400 0.040 0.000 2.416 280 K HA 0.192 4.512 4.320 0.001 0.000 0.244 280 K C -0.002 176.642 176.600 0.073 0.000 1.044 280 K CA -0.822 55.496 56.287 0.051 0.000 0.972 280 K CB 0.459 33.018 32.500 0.097 0.000 1.286 280 K HN -0.131 nan 8.250 nan 0.000 0.500 281 D N 0.823 121.269 120.400 0.077 0.000 2.648 281 D HA -0.081 4.560 4.640 0.001 0.000 0.229 281 D C -1.673 174.689 176.300 0.103 0.000 1.119 281 D CA -0.655 53.393 54.000 0.081 0.000 0.850 281 D CB 0.806 41.661 40.800 0.092 0.000 1.169 281 D HN 0.099 nan 8.370 nan 0.000 0.489 282 P HA -0.168 nan 4.420 nan 0.000 0.214 282 P C 1.267 178.630 177.300 0.105 0.000 1.163 282 P CA 1.583 64.727 63.100 0.073 0.000 0.889 282 P CB 0.157 31.883 31.700 0.043 0.000 0.790 283 Q N -0.765 119.111 119.800 0.127 0.000 2.096 283 Q HA -0.122 4.218 4.340 0.001 0.000 0.204 283 Q C 2.121 178.359 176.000 0.396 0.000 0.982 283 Q CA 1.326 57.248 55.803 0.197 0.000 0.850 283 Q CB -0.876 27.915 28.738 0.088 0.000 0.901 283 Q HN 0.112 nan 8.270 nan 0.000 0.422 284 V N 0.885 121.049 119.914 0.417 0.000 2.261 284 V HA -0.289 3.831 4.120 0.001 0.000 0.246 284 V C 2.215 178.441 176.094 0.221 0.000 1.047 284 V CA 1.927 64.468 62.300 0.400 0.000 1.015 284 V CB -0.473 31.451 31.823 0.169 0.000 0.642 284 V HN 0.411 nan 8.190 nan 0.000 0.446 285 M N 0.712 120.401 119.600 0.148 0.000 2.279 285 M HA -0.142 4.339 4.480 0.001 0.000 0.264 285 M C 1.572 177.875 176.300 0.005 0.000 1.062 285 M CA 1.905 57.248 55.300 0.072 0.000 1.099 285 M CB -0.803 31.855 32.600 0.096 0.000 1.394 285 M HN 0.414 nan 8.290 nan 0.000 0.426 286 D N -1.094 119.330 120.400 0.041 0.000 2.091 286 D HA -0.120 4.520 4.640 0.001 0.000 0.199 286 D C 1.634 177.896 176.300 -0.063 0.000 0.980 286 D CA 1.921 55.916 54.000 -0.009 0.000 0.831 286 D CB -0.255 40.562 40.800 0.027 0.000 0.987 286 D HN 0.369 nan 8.370 nan 0.000 0.460 287 T N 0.343 114.888 114.554 -0.015 0.000 2.684 287 T HA -0.132 4.218 4.350 0.001 0.000 0.267 287 T C 2.083 176.614 174.700 -0.282 0.000 1.036 287 T CA 1.164 63.164 62.100 -0.166 0.000 1.148 287 T CB -0.321 68.376 68.868 -0.285 0.000 0.863 287 T HN 0.187 nan 8.240 nan 0.000 0.436 288 I N 0.528 120.950 120.570 -0.246 0.000 2.179 288 I HA -0.179 3.991 4.170 0.001 0.000 0.242 288 I C 2.725 178.651 176.117 -0.317 0.000 1.088 288 I CA 1.497 62.602 61.300 -0.326 0.000 1.357 288 I CB -0.388 37.383 38.000 -0.382 0.000 1.051 288 I HN 0.349 nan 8.210 nan 0.000 0.409 289 E N 0.223 120.247 120.200 -0.293 0.000 2.051 289 E HA -0.242 4.108 4.350 0.001 0.000 0.192 289 E C 2.399 178.677 176.600 -0.537 0.000 0.991 289 E CA 1.628 57.772 56.400 -0.426 0.000 0.799 289 E CB 0.002 29.500 29.700 -0.337 0.000 0.748 289 E HN 0.503 nan 8.360 nan 0.000 0.449 290 C N 0.183 119.284 119.300 -0.332 0.000 2.422 290 C HA -0.130 4.330 4.460 0.001 0.000 0.279 290 C C 2.358 177.243 174.990 -0.175 0.000 1.305 290 C CA 0.496 59.374 59.018 -0.232 0.000 1.757 290 C CB -1.130 26.503 27.740 -0.180 0.000 1.962 290 C HN 0.523 nan 8.230 nan 0.000 0.499 291 F N 1.173 120.916 119.950 -0.345 0.000 2.146 291 F HA -0.119 4.408 4.527 0.001 0.000 0.298 291 F C 2.283 177.986 175.800 -0.163 0.000 1.096 291 F CA 1.689 59.477 58.000 -0.353 0.000 1.275 291 F CB -0.447 38.195 39.000 -0.596 0.000 1.008 291 F HN 0.122 nan 8.300 nan 0.000 0.480 292 M N -0.771 118.644 119.600 -0.308 0.000 2.159 292 M HA -0.215 4.265 4.480 0.001 0.000 0.263 292 M C 2.196 178.607 176.300 0.185 0.000 1.063 292 M CA 1.911 57.042 55.300 -0.282 0.000 1.110 292 M CB -0.958 31.263 32.600 -0.631 0.000 1.374 292 M HN 0.299 nan 8.290 nan 0.000 0.411 293 H N -0.886 118.210 119.070 0.044 0.000 2.333 293 H HA -0.024 4.533 4.556 0.001 0.000 0.302 293 H C 2.347 177.805 175.328 0.217 0.000 1.075 293 H CA 0.712 56.882 56.048 0.204 0.000 1.348 293 H CB -0.204 29.601 29.762 0.071 0.000 1.393 293 H HN 0.459 nan 8.280 nan 0.000 0.509 294 G N 0.453 109.381 108.800 0.214 0.000 2.446 294 G HA2 -0.346 3.614 3.960 0.001 0.000 0.217 294 G HA3 -0.346 3.614 3.960 0.001 0.000 0.217 294 G C 1.462 176.532 174.900 0.284 0.000 1.168 294 G CA 0.898 46.134 45.100 0.228 0.000 0.771 294 G HN 0.370 nan 8.290 nan 0.000 0.551 295 Y N 1.060 121.309 120.300 -0.084 0.000 2.165 295 Y HA -0.144 4.406 4.550 0.001 0.000 0.286 295 Y C 2.979 179.079 175.900 0.335 0.000 1.155 295 Y CA 1.415 59.514 58.100 -0.000 0.000 1.164 295 Y CB -0.348 37.884 38.460 -0.379 0.000 0.978 295 Y HN 0.054 nan 8.280 nan 0.000 0.513 296 V N -1.074 119.019 119.914 0.298 0.000 2.427 296 V HA -0.282 3.838 4.120 0.001 0.000 0.248 296 V C 2.202 178.336 176.094 0.067 0.000 1.051 296 V CA 2.275 64.629 62.300 0.090 0.000 1.048 296 V CB -0.983 30.823 31.823 -0.028 0.000 0.666 296 V HN 0.428 nan 8.190 nan 0.000 0.456 297 T N -1.068 113.622 114.554 0.227 0.000 2.708 297 T HA -0.262 4.088 4.350 0.001 0.000 0.266 297 T C 1.437 176.279 174.700 0.238 0.000 1.037 297 T CA 1.906 64.147 62.100 0.236 0.000 1.146 297 T CB -0.407 68.658 68.868 0.328 0.000 0.865 297 T HN 0.708 nan 8.240 nan 0.000 0.435 298 W N 1.965 123.344 121.300 0.131 0.000 2.318 298 W HA -0.232 4.429 4.660 0.001 0.000 0.313 298 W C 2.054 178.514 176.519 -0.099 0.000 1.221 298 W CA 1.496 58.848 57.345 0.012 0.000 1.266 298 W CB -0.871 28.531 29.460 -0.097 0.000 1.150 298 W HN 0.432 nan 8.180 nan 0.000 0.496 299 H N -0.446 118.365 119.070 -0.432 0.000 2.387 299 H HA -0.128 4.429 4.556 0.001 0.000 0.299 299 H C 2.277 177.368 175.328 -0.395 0.000 1.090 299 H CA 2.452 57.992 56.048 -0.847 0.000 1.332 299 H CB -0.641 28.599 29.762 -0.870 0.000 1.386 299 H HN 0.173 nan 8.280 nan 0.000 0.516 300 L N -1.106 120.027 121.223 -0.150 0.000 2.156 300 L HA -0.145 4.195 4.340 0.001 0.000 0.208 300 L C 1.847 178.565 176.870 -0.254 0.000 1.095 300 L CA 0.644 55.358 54.840 -0.209 0.000 0.770 300 L CB -0.025 41.827 42.059 -0.345 0.000 0.914 300 L HN 0.428 nan 8.230 nan 0.000 0.439 301 C N -1.642 117.565 119.300 -0.154 0.000 2.527 301 C HA 0.035 4.495 4.460 0.001 0.000 0.280 301 C C 1.188 176.154 174.990 -0.040 0.000 1.353 301 C CA -0.652 58.316 59.018 -0.085 0.000 1.749 301 C CB -0.315 27.456 27.740 0.053 0.000 2.088 301 C HN 0.351 nan 8.230 nan 0.000 0.508 302 D N 1.109 121.444 120.400 -0.109 0.000 2.383 302 D HA 0.034 4.674 4.640 0.001 0.000 0.252 302 D C 0.988 177.244 176.300 -0.073 0.000 1.166 302 D CA 0.016 53.944 54.000 -0.120 0.000 0.879 302 D CB 0.628 41.219 40.800 -0.347 0.000 1.164 302 D HN 0.183 nan 8.370 nan 0.000 0.462 303 R N 3.533 124.000 120.500 -0.055 0.000 2.154 303 R HA -0.193 4.147 4.340 0.001 0.000 0.248 303 R C 1.980 178.201 176.300 -0.132 0.000 1.155 303 R CA 0.652 56.725 56.100 -0.045 0.000 0.979 303 R CB -0.553 29.728 30.300 -0.032 0.000 0.869 303 R HN 0.597 nan 8.270 nan 0.000 0.452 304 R N 0.169 120.492 120.500 -0.294 0.000 2.140 304 R HA -0.178 4.162 4.340 0.001 0.000 0.250 304 R C 1.650 177.589 176.300 -0.603 0.000 1.150 304 R CA 1.910 57.686 56.100 -0.541 0.000 0.966 304 R CB -0.245 29.517 30.300 -0.897 0.000 0.869 304 R HN 0.209 nan 8.270 nan 0.000 0.445 305 F N -0.082 119.786 119.950 -0.138 0.000 2.789 305 F HA 0.228 4.756 4.527 0.001 0.000 0.300 305 F C 0.901 176.741 175.800 0.067 0.000 1.132 305 F CA 0.102 58.071 58.000 -0.051 0.000 1.404 305 F CB 0.173 39.126 39.000 -0.078 0.000 1.114 305 F HN -0.032 nan 8.300 nan 0.000 0.584 306 R N 0.069 120.664 120.500 0.159 0.000 3.741 306 R HA -0.236 4.104 4.340 0.001 0.000 0.292 306 R C 0.962 177.432 176.300 0.283 0.000 1.176 306 R CA 0.372 56.596 56.100 0.207 0.000 0.794 306 R CB -2.430 27.984 30.300 0.190 0.000 1.213 306 R HN 0.415 nan 8.270 nan 0.000 0.494 307 L N 0.115 121.505 121.223 0.278 0.000 2.275 307 L HA -0.147 4.194 4.340 0.001 0.000 0.215 307 L C 2.490 179.568 176.870 0.347 0.000 1.119 307 L CA 1.776 56.784 54.840 0.280 0.000 0.790 307 L CB -0.402 41.877 42.059 0.366 0.000 0.919 307 L HN 0.405 nan 8.230 nan 0.000 0.443 308 S N -0.698 115.215 115.700 0.355 0.000 2.465 308 S HA -0.211 4.259 4.470 0.001 0.000 0.241 308 S C 1.593 176.295 174.600 0.169 0.000 1.000 308 S CA 1.154 59.536 58.200 0.304 0.000 0.964 308 S CB -0.249 63.110 63.200 0.264 0.000 0.763 308 S HN 0.525 nan 8.310 nan 0.000 0.512 309 E N 0.850 121.124 120.200 0.123 0.000 2.112 309 E HA 0.080 4.431 4.350 0.001 0.000 0.190 309 E C 1.941 178.515 176.600 -0.042 0.000 0.979 309 E CA 1.126 57.561 56.400 0.058 0.000 0.814 309 E CB -0.221 29.561 29.700 0.138 0.000 0.762 309 E HN 0.586 nan 8.360 nan 0.000 0.460 310 I N 0.428 120.906 120.570 -0.152 0.000 2.315 310 I HA -0.246 3.925 4.170 0.001 0.000 0.248 310 I C 2.341 178.524 176.117 0.109 0.000 1.117 310 I CA 0.809 62.021 61.300 -0.146 0.000 1.404 310 I CB -0.233 37.622 38.000 -0.241 0.000 1.071 310 I HN 0.156 nan 8.210 nan 0.000 0.419 311 Y N 2.281 122.631 120.300 0.084 0.000 2.070 311 Y HA -0.354 4.196 4.550 0.001 0.000 0.280 311 Y C 2.524 178.373 175.900 -0.084 0.000 1.148 311 Y CA 2.196 60.264 58.100 -0.052 0.000 1.125 311 Y CB -0.400 37.634 38.460 -0.710 0.000 0.975 311 Y HN 0.055 nan 8.280 nan 0.000 0.492 312 E N 0.844 120.995 120.200 -0.081 0.000 2.065 312 E HA -0.280 4.071 4.350 0.001 0.000 0.201 312 E C 2.204 178.717 176.600 -0.145 0.000 1.016 312 E CA 2.047 58.364 56.400 -0.138 0.000 0.818 312 E CB -0.439 29.262 29.700 0.002 0.000 0.749 312 E HN 0.486 nan 8.360 nan 0.000 0.453 313 K N -0.253 120.099 120.400 -0.081 0.000 2.360 313 K HA -0.082 4.238 4.320 0.001 0.000 0.201 313 K C 0.950 177.505 176.600 -0.075 0.000 1.046 313 K CA 1.371 57.621 56.287 -0.062 0.000 0.945 313 K CB 0.163 32.641 32.500 -0.037 0.000 0.750 313 K HN 0.223 nan 8.250 nan 0.000 0.464 314 V N -1.864 117.984 119.914 -0.109 0.000 3.111 314 V HA 0.181 4.301 4.120 0.001 0.000 0.343 314 V C 0.830 176.835 176.094 -0.147 0.000 1.417 314 V CA -0.373 61.873 62.300 -0.089 0.000 1.142 314 V CB 0.273 32.077 31.823 -0.031 0.000 1.114 314 V HN 0.181 nan 8.190 nan 0.000 0.520 315 K N 0.195 120.418 120.400 -0.296 0.000 2.432 315 K HA 0.169 4.489 4.320 0.001 0.000 0.196 315 K C 1.222 177.708 176.600 -0.189 0.000 1.038 315 K CA 1.444 57.501 56.287 -0.383 0.000 0.986 315 K CB 0.087 32.158 32.500 -0.715 0.000 0.782 315 K HN 0.588 nan 8.250 nan 0.000 0.485 316 E N 0.899 121.022 120.200 -0.129 0.000 2.511 316 E HA 0.053 4.403 4.350 0.001 0.000 0.209 316 E C -0.495 176.076 176.600 -0.048 0.000 0.986 316 E CA -0.219 56.136 56.400 -0.075 0.000 0.974 316 E CB 0.634 30.296 29.700 -0.063 0.000 1.030 316 E HN 0.330 nan 8.360 nan 0.000 0.490 317 E N 1.680 121.852 120.200 -0.046 0.000 2.373 317 E HA 0.012 4.362 4.350 0.001 0.000 0.267 317 E C 0.217 176.809 176.600 -0.013 0.000 1.032 317 E CA 0.142 56.527 56.400 -0.024 0.000 0.889 317 E CB 0.613 30.301 29.700 -0.019 0.000 0.984 317 E HN -0.050 nan 8.360 nan 0.000 0.425 318 K N 2.019 122.416 120.400 -0.006 0.000 2.437 318 K HA 0.095 4.415 4.320 0.001 0.000 0.198 318 K C -0.076 176.528 176.600 0.006 0.000 1.024 318 K CA -0.021 56.265 56.287 -0.001 0.000 1.148 318 K CB 0.489 32.988 32.500 -0.002 0.000 0.860 318 K HN 0.412 nan 8.250 nan 0.000 0.515 319 T N 1.382 115.942 114.554 0.010 0.000 2.898 319 T HA -0.035 4.315 4.350 0.001 0.000 0.301 319 T C 1.341 176.057 174.700 0.026 0.000 1.049 319 T CA -0.058 62.051 62.100 0.016 0.000 1.095 319 T CB 1.535 70.413 68.868 0.016 0.000 0.976 319 T HN 0.284 nan 8.240 nan 0.000 0.539 320 E N 1.083 121.301 120.200 0.029 0.000 2.047 320 E HA -0.181 4.170 4.350 0.001 0.000 0.191 320 E C 1.225 177.859 176.600 0.057 0.000 0.987 320 E CA 1.195 57.618 56.400 0.038 0.000 0.799 320 E CB 0.064 29.785 29.700 0.036 0.000 0.752 320 E HN 0.568 nan 8.360 nan 0.000 0.449 321 D N 0.512 120.948 120.400 0.060 0.000 2.104 321 D HA -0.185 4.456 4.640 0.001 0.000 0.194 321 D C 1.911 178.283 176.300 0.120 0.000 0.994 321 D CA 1.474 55.523 54.000 0.083 0.000 0.830 321 D CB -0.378 40.452 40.800 0.050 0.000 0.959 321 D HN 0.320 nan 8.370 nan 0.000 0.452 322 A N 1.446 124.321 122.820 0.091 0.000 1.917 322 A HA -0.251 4.070 4.320 0.001 0.000 0.219 322 A C 2.141 179.820 177.584 0.158 0.000 1.182 322 A CA 1.543 53.657 52.037 0.127 0.000 0.633 322 A CB -0.524 18.511 19.000 0.060 0.000 0.819 322 A HN 0.169 nan 8.150 nan 0.000 0.448 323 Q N 0.065 119.920 119.800 0.092 0.000 2.045 323 Q HA -0.235 4.105 4.340 0.001 0.000 0.206 323 Q C 2.033 178.076 176.000 0.071 0.000 0.991 323 Q CA 2.054 57.895 55.803 0.063 0.000 0.851 323 Q CB -0.486 28.271 28.738 0.031 0.000 0.911 323 Q HN 0.763 nan 8.270 nan 0.000 0.418 324 K N -0.166 120.282 120.400 0.080 0.000 2.097 324 K HA -0.137 4.184 4.320 0.001 0.000 0.206 324 K C 2.012 178.719 176.600 0.178 0.000 1.049 324 K CA 1.119 57.426 56.287 0.034 0.000 0.933 324 K CB -0.316 32.247 32.500 0.105 0.000 0.717 324 K HN 0.051 nan 8.250 nan 0.000 0.442 325 F N 1.821 121.869 119.950 0.163 0.000 2.031 325 F HA -0.273 4.254 4.527 0.001 0.000 0.295 325 F C 2.197 178.176 175.800 0.298 0.000 1.133 325 F CA 1.268 59.417 58.000 0.250 0.000 1.188 325 F CB -0.703 38.400 39.000 0.172 0.000 0.974 325 F HN -0.001 nan 8.300 nan 0.000 0.473 326 C N 1.088 120.540 119.300 0.254 0.000 2.403 326 C HA -0.228 4.232 4.460 0.001 0.000 0.277 326 C C 2.782 177.887 174.990 0.192 0.000 1.248 326 C CA 1.533 60.709 59.018 0.264 0.000 1.762 326 C CB -1.406 26.467 27.740 0.222 0.000 2.014 326 C HN 0.558 nan 8.230 nan 0.000 0.486 327 K N 0.019 120.470 120.400 0.084 0.000 2.002 327 K HA -0.153 4.168 4.320 0.001 0.000 0.209 327 K C 1.840 178.455 176.600 0.026 0.000 1.048 327 K CA 1.718 58.002 56.287 -0.005 0.000 0.930 327 K CB -0.350 32.059 32.500 -0.153 0.000 0.714 327 K HN 0.359 nan 8.250 nan 0.000 0.438 328 F N 0.268 120.246 119.950 0.047 0.000 2.134 328 F HA -0.186 4.341 4.527 0.001 0.000 0.299 328 F C 2.391 178.178 175.800 -0.023 0.000 1.097 328 F CA 1.258 59.285 58.000 0.045 0.000 1.264 328 F CB -1.040 37.927 39.000 -0.056 0.000 1.001 328 F HN 0.157 nan 8.300 nan 0.000 0.479 329 Y N 1.254 121.484 120.300 -0.117 0.000 2.097 329 Y HA -0.274 4.277 4.550 0.001 0.000 0.282 329 Y C 2.312 178.102 175.900 -0.183 0.000 1.152 329 Y CA 2.108 60.036 58.100 -0.287 0.000 1.136 329 Y CB -0.725 37.415 38.460 -0.534 0.000 0.975 329 Y HN 0.172 nan 8.280 nan 0.000 0.498 330 E N -0.367 119.939 120.200 0.177 0.000 2.160 330 E HA -0.275 4.075 4.350 0.001 0.000 0.195 330 E C 2.164 178.798 176.600 0.057 0.000 0.991 330 E CA 1.404 57.867 56.400 0.104 0.000 0.810 330 E CB -0.173 29.591 29.700 0.106 0.000 0.742 330 E HN 0.677 nan 8.360 nan 0.000 0.466 331 Q N 0.310 120.167 119.800 0.095 0.000 2.020 331 Q HA -0.181 4.159 4.340 0.001 0.000 0.202 331 Q C 2.392 178.426 176.000 0.056 0.000 0.982 331 Q CA 1.377 57.233 55.803 0.089 0.000 0.838 331 Q CB -0.274 28.578 28.738 0.190 0.000 0.899 331 Q HN 0.257 nan 8.270 nan 0.000 0.423 332 A N 1.480 124.357 122.820 0.095 0.000 1.873 332 A HA -0.216 4.104 4.320 0.001 0.000 0.218 332 A C 2.382 179.932 177.584 -0.058 0.000 1.193 332 A CA 1.997 54.056 52.037 0.037 0.000 0.629 332 A CB -1.048 17.923 19.000 -0.048 0.000 0.826 332 A HN 0.431 nan 8.150 nan 0.000 0.447 333 A N 0.161 122.901 122.820 -0.133 0.000 1.908 333 A HA -0.244 4.076 4.320 0.001 0.000 0.218 333 A C 1.892 179.462 177.584 -0.023 0.000 1.181 333 A CA 1.876 53.861 52.037 -0.086 0.000 0.627 333 A CB -0.764 18.199 19.000 -0.061 0.000 0.818 333 A HN 0.589 nan 8.150 nan 0.000 0.445 334 N N -0.547 118.143 118.700 -0.016 0.000 2.205 334 N HA -0.116 4.624 4.740 0.001 0.000 0.186 334 N C 1.453 176.943 175.510 -0.032 0.000 1.015 334 N CA 1.637 54.679 53.050 -0.012 0.000 0.862 334 N CB -0.132 38.350 38.487 -0.009 0.000 0.986 334 N HN 0.362 nan 8.380 nan 0.000 0.429 335 V N -1.018 118.862 119.914 -0.057 0.000 3.572 335 V HA 0.311 4.431 4.120 0.001 0.000 0.260 335 V C 1.553 177.557 176.094 -0.150 0.000 1.324 335 V CA 0.937 63.172 62.300 -0.109 0.000 1.068 335 V CB 0.591 32.331 31.823 -0.140 0.000 0.837 335 V HN 0.244 nan 8.190 nan 0.000 0.450 336 G N -0.284 108.469 108.800 -0.079 0.000 2.850 336 G HA2 0.331 4.291 3.960 0.001 0.000 0.211 336 G HA3 0.331 4.291 3.960 0.001 0.000 0.211 336 G C 0.752 175.769 174.900 0.194 0.000 1.124 336 G CA 0.630 45.753 45.100 0.039 0.000 0.769 336 G HN 0.629 nan 8.290 nan 0.000 0.535 337 A N 1.162 124.038 122.820 0.092 0.000 2.666 337 A HA 0.579 4.900 4.320 0.001 0.000 0.301 337 A C -0.513 177.145 177.584 0.124 0.000 1.470 337 A CA -0.013 52.085 52.037 0.102 0.000 1.159 337 A CB -0.150 18.882 19.000 0.054 0.000 1.116 337 A HN 0.155 nan 8.150 nan 0.000 0.548 338 V N 2.249 122.277 119.914 0.190 0.000 2.495 338 V HA 0.381 4.501 4.120 0.001 0.000 0.298 338 V C 0.736 177.007 176.094 0.294 0.000 1.031 338 V CA -0.633 61.802 62.300 0.224 0.000 0.871 338 V CB 1.849 33.818 31.823 0.243 0.000 0.988 338 V HN 0.815 nan 8.190 nan 0.000 0.432 339 S N 5.083 120.915 115.700 0.220 0.000 2.533 339 S HA 0.205 4.675 4.470 0.001 0.000 0.282 339 S C -1.420 173.268 174.600 0.148 0.000 1.304 339 S CA -0.764 57.528 58.200 0.154 0.000 1.063 339 S CB 1.110 64.358 63.200 0.080 0.000 0.881 339 S HN 0.604 nan 8.310 nan 0.000 0.493 340 P HA -0.103 nan 4.420 nan 0.000 0.219 340 P C 1.573 178.591 177.300 -0.470 0.000 1.146 340 P CA 1.205 64.002 63.100 -0.504 0.000 0.808 340 P CB -0.057 31.398 31.700 -0.408 0.000 0.779 341 S N -0.574 115.018 115.700 -0.181 0.000 2.442 341 S HA -0.177 4.293 4.470 0.001 0.000 0.236 341 S C 1.737 176.332 174.600 -0.009 0.000 1.007 341 S CA 1.108 59.243 58.200 -0.109 0.000 0.965 341 S CB -1.015 62.129 63.200 -0.093 0.000 0.773 341 S HN 0.270 nan 8.310 nan 0.000 0.504 342 E N -0.086 120.161 120.200 0.078 0.000 2.371 342 E HA 0.017 4.368 4.350 0.001 0.000 0.194 342 E C 1.557 178.428 176.600 0.451 0.000 1.012 342 E CA 0.969 57.509 56.400 0.233 0.000 0.860 342 E CB -0.009 29.848 29.700 0.261 0.000 0.811 342 E HN 0.988 nan 8.360 nan 0.000 0.502 343 W N -1.686 119.744 121.300 0.217 0.000 3.330 343 W HA 0.421 5.082 4.660 0.001 0.000 0.194 343 W C 0.229 176.639 176.519 -0.182 0.000 1.041 343 W CA -0.025 57.385 57.345 0.109 0.000 1.399 343 W CB 0.009 29.531 29.460 0.104 0.000 0.694 343 W HN -0.146 nan 8.180 nan 0.000 0.832 344 A N 2.686 124.833 122.820 -1.122 0.000 3.004 344 A HA 0.511 4.831 4.320 0.001 0.000 0.286 344 A C -1.137 175.903 177.584 -0.907 0.000 1.632 344 A CA 0.165 51.202 52.037 -1.667 0.000 1.339 344 A CB -1.668 16.152 19.000 -1.966 0.000 1.136 344 A HN 0.446 nan 8.150 nan 0.000 0.577 345 Y N -0.324 119.697 120.300 -0.466 0.000 2.604 345 Y HA 0.740 5.290 4.550 0.000 0.000 0.331 345 Y C -3.245 172.802 175.900 0.244 0.000 1.158 345 Y CA -2.723 55.341 58.100 -0.059 0.000 1.056 345 Y CB 0.611 39.023 38.460 -0.080 0.000 1.330 345 Y HN 0.251 nan 8.280 nan 0.000 0.457 346 P HA 0.415 nan 4.420 nan 0.000 0.282 346 P C -2.829 174.591 177.300 0.199 0.000 1.287 346 P CA -1.761 61.487 63.100 0.248 0.000 0.792 346 P CB 0.671 32.473 31.700 0.169 0.000 1.163 347 P HA 0.025 nan 4.420 nan 0.000 0.271 347 P C 1.278 178.616 177.300 0.063 0.000 1.218 347 P CA -0.044 63.115 63.100 0.098 0.000 0.780 347 P CB 0.280 32.002 31.700 0.036 0.000 0.901 348 V N 2.428 122.373 119.914 0.053 0.000 2.332 348 V HA -0.317 3.804 4.120 0.001 0.000 0.248 348 V C 2.306 178.382 176.094 -0.031 0.000 1.055 348 V CA 2.754 65.040 62.300 -0.024 0.000 1.038 348 V CB -1.587 30.219 31.823 -0.028 0.000 0.651 348 V HN 0.689 nan 8.190 nan 0.000 0.450 349 A N -0.718 122.093 122.820 -0.015 0.000 1.908 349 A HA -0.333 3.987 4.320 0.001 0.000 0.218 349 A C 2.272 179.844 177.584 -0.019 0.000 1.181 349 A CA 2.244 54.270 52.037 -0.018 0.000 0.627 349 A CB -0.589 18.403 19.000 -0.014 0.000 0.818 349 A HN 0.639 nan 8.150 nan 0.000 0.445 350 Q N -0.347 119.446 119.800 -0.012 0.000 2.061 350 Q HA -0.152 4.188 4.340 0.001 0.000 0.204 350 Q C 1.968 177.951 176.000 -0.028 0.000 0.984 350 Q CA 1.723 57.520 55.803 -0.011 0.000 0.846 350 Q CB -0.266 28.476 28.738 0.006 0.000 0.902 350 Q HN 0.664 nan 8.270 nan 0.000 0.421 351 L N 0.154 121.342 121.223 -0.058 0.000 2.141 351 L HA -0.124 4.217 4.340 0.001 0.000 0.209 351 L C 2.519 179.342 176.870 -0.079 0.000 1.094 351 L CA 0.840 55.617 54.840 -0.105 0.000 0.763 351 L CB -0.478 41.438 42.059 -0.240 0.000 0.908 351 L HN 0.324 nan 8.230 nan 0.000 0.437 352 A N -0.227 122.557 122.820 -0.060 0.000 1.968 352 A HA -0.189 4.131 4.320 0.001 0.000 0.217 352 A C 2.157 179.725 177.584 -0.027 0.000 1.169 352 A CA 1.457 53.469 52.037 -0.042 0.000 0.638 352 A CB -0.533 18.448 19.000 -0.032 0.000 0.812 352 A HN 0.436 nan 8.150 nan 0.000 0.446 353 N N 0.545 119.232 118.700 -0.023 0.000 2.142 353 N HA -0.078 4.662 4.740 0.001 0.000 0.186 353 N C 0.890 176.393 175.510 -0.011 0.000 1.023 353 N CA 1.051 54.093 53.050 -0.015 0.000 0.852 353 N CB -0.305 38.175 38.487 -0.012 0.000 0.998 353 N HN 0.209 nan 8.380 nan 0.000 0.424 354 V N 0.000 119.907 119.914 -0.012 0.000 2.409 354 V HA 0.000 4.120 4.120 0.001 0.000 0.244 354 V CA 0.000 62.297 62.300 -0.005 0.000 1.235 354 V CB 0.000 31.821 31.823 -0.003 0.000 1.184 354 V HN 0.000 nan 8.190 nan 0.000 0.556