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 3buz_1_A DATA FIRST_RESID 1 DATA SEQUENCE AFIERPEDFL KDKENAIQWE KKEAERVEKN LDTLEKEALE LYKKDSEQIS DATA SEQUENCE NYSQTRQYFY DYQIESNPRE KEYKNLRNAI SKNKIDKPIN VYYFESPEKF DATA SEQUENCE AFNKEIRTEN QNEISLEKFN ELKETIQDKL FKQDGFKDVS LYEPGNGDEK DATA SEQUENCE PTPLLIHLKL PKNTGMLPYI NSNDVKTLIE QDYSIKIDKI VRIVIEGKQY DATA SEQUENCE IKAEASIVNS LDFKDDVSKG DLWGKENYSD WSNKLTPNEL ADVNDYMRGG DATA SEQUENCE YTAINNYLIS NGPLNNPNPE LDSKVNNIEN ALKLTPIPSN LIVYRRSGPQ DATA SEQUENCE EFGLTLTSPE YDFNKIENID AFKEKWEGKV ITYPNFISTS IGSVNMSAFA DATA SEQUENCE KRKIILRINI PKDSPGAYLS AIPGYAGEYE VLLNHGSKFK INKVDSYKDG DATA SEQUENCE TVTKLILDAT LIN 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 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.623 177.584 0.065 0.000 1.274 1 A CA 0.000 52.074 52.037 0.062 0.000 0.836 1 A CB 0.000 18.968 19.000 -0.054 0.000 0.831 2 F N 0.823 120.891 119.950 0.197 0.000 2.589 2 F HA 0.227 4.753 4.527 -0.000 0.000 0.352 2 F C 1.615 177.533 175.800 0.197 0.000 1.168 2 F CA 1.188 59.284 58.000 0.161 0.000 1.353 2 F CB 0.376 39.455 39.000 0.131 0.000 1.116 2 F HN 0.163 nan 8.300 nan 0.000 0.608 3 I N -0.027 120.753 120.570 0.350 0.000 2.703 3 I HA -0.010 4.159 4.170 -0.000 0.000 0.259 3 I C 0.487 176.766 176.117 0.270 0.000 1.151 3 I CA 0.864 62.311 61.300 0.245 0.000 1.470 3 I CB 0.027 38.120 38.000 0.156 0.000 1.112 3 I HN 0.494 nan 8.210 nan 0.000 0.437 4 E N 1.790 122.139 120.200 0.247 0.000 2.260 4 E HA 0.221 4.571 4.350 -0.000 0.000 0.266 4 E C -0.490 176.083 176.600 -0.044 0.000 0.887 4 E CA -0.754 55.746 56.400 0.166 0.000 0.777 4 E CB 1.415 31.157 29.700 0.069 0.000 1.205 4 E HN 0.097 nan 8.360 nan 0.000 0.414 5 R N 3.841 124.209 120.500 -0.222 0.000 2.784 5 R HA 0.279 4.618 4.340 -0.000 0.000 0.266 5 R C -2.146 173.655 176.300 -0.831 0.000 1.044 5 R CA -0.834 54.737 56.100 -0.882 0.000 1.151 5 R CB -0.114 29.261 30.300 -1.542 0.000 1.037 5 R HN 0.185 nan 8.270 nan 0.000 0.478 6 P HA 0.077 nan 4.420 nan 0.000 0.275 6 P C -0.325 176.606 177.300 -0.615 0.000 1.266 6 P CA -0.222 62.389 63.100 -0.815 0.000 0.793 6 P CB 0.512 31.646 31.700 -0.944 0.000 1.074 7 E N -1.111 118.857 120.200 -0.387 0.000 2.427 7 E HA -0.051 4.298 4.350 -0.000 0.000 0.196 7 E C -0.027 176.449 176.600 -0.207 0.000 1.028 7 E CA 0.757 56.998 56.400 -0.265 0.000 0.864 7 E CB 0.159 29.754 29.700 -0.176 0.000 0.813 7 E HN 0.380 nan 8.360 nan 0.000 0.514 8 D N -1.410 118.847 120.400 -0.238 0.000 2.891 8 D HA 0.071 4.711 4.640 -0.000 0.000 0.224 8 D C -0.529 175.702 176.300 -0.114 0.000 1.321 8 D CA -0.483 53.492 54.000 -0.040 0.000 0.929 8 D CB 0.668 41.507 40.800 0.065 0.000 1.551 8 D HN -0.141 nan 8.370 nan 0.000 0.574 9 F N 2.928 122.884 119.950 0.011 0.000 2.710 9 F HA 0.130 4.656 4.527 -0.000 0.000 0.298 9 F C 1.857 177.673 175.800 0.027 0.000 1.137 9 F CA 0.180 58.174 58.000 -0.011 0.000 1.444 9 F CB 0.084 39.094 39.000 0.016 0.000 1.111 9 F HN 0.383 nan 8.300 nan 0.000 0.580 10 L N -0.766 120.590 121.223 0.222 0.000 5.704 10 L HA -0.509 3.831 4.340 -0.000 0.000 0.053 10 L C 1.464 178.334 176.870 -0.001 0.000 2.571 10 L CA 1.565 56.467 54.840 0.104 0.000 1.641 10 L CB -1.069 41.028 42.059 0.063 0.000 2.792 10 L HN -0.016 nan 8.230 nan 0.000 0.961 11 K N 0.151 120.557 120.400 0.010 0.000 2.458 11 K HA 0.036 4.356 4.320 -0.000 0.000 0.194 11 K C 0.060 176.679 176.600 0.031 0.000 1.024 11 K CA 0.314 56.600 56.287 -0.002 0.000 1.108 11 K CB -0.200 32.295 32.500 -0.009 0.000 0.846 11 K HN 0.339 nan 8.250 nan 0.000 0.518 12 D N 2.284 122.727 120.400 0.072 0.000 2.631 12 D HA 0.017 4.656 4.640 -0.000 0.000 0.227 12 D C 1.098 177.337 176.300 -0.100 0.000 1.146 12 D CA -0.005 54.029 54.000 0.056 0.000 1.009 12 D CB 0.345 41.262 40.800 0.195 0.000 1.057 12 D HN 0.012 nan 8.370 nan 0.000 0.509 13 K N 2.147 122.355 120.400 -0.320 0.000 2.034 13 K HA -0.255 4.065 4.320 -0.000 0.000 0.214 13 K C 1.581 177.861 176.600 -0.534 0.000 1.051 13 K CA 1.710 57.485 56.287 -0.854 0.000 0.931 13 K CB 0.047 32.089 32.500 -0.763 0.000 0.715 13 K HN 0.297 nan 8.250 nan 0.000 0.446 14 E N 0.824 120.860 120.200 -0.273 0.000 2.058 14 E HA -0.257 4.093 4.350 -0.000 0.000 0.194 14 E C 1.650 178.180 176.600 -0.116 0.000 0.997 14 E CA 2.045 58.344 56.400 -0.168 0.000 0.801 14 E CB -0.910 28.734 29.700 -0.093 0.000 0.746 14 E HN 0.546 nan 8.360 nan 0.000 0.450 15 N N 1.348 120.034 118.700 -0.023 0.000 2.188 15 N HA -0.051 4.689 4.740 -0.000 0.000 0.184 15 N C 1.983 177.423 175.510 -0.117 0.000 1.018 15 N CA 1.462 54.590 53.050 0.131 0.000 0.858 15 N CB -0.176 38.633 38.487 0.536 0.000 0.989 15 N HN 0.338 nan 8.380 nan 0.000 0.426 16 A N 1.159 123.538 122.820 -0.736 0.000 1.883 16 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 16 A C 2.079 179.403 177.584 -0.432 0.000 1.186 16 A CA 1.140 52.331 52.037 -1.410 0.000 0.624 16 A CB -0.709 17.625 19.000 -1.111 0.000 0.822 16 A HN 0.230 nan 8.150 nan 0.000 0.444 17 I N -0.872 119.513 120.570 -0.309 0.000 2.394 17 I HA -0.250 3.920 4.170 -0.000 0.000 0.251 17 I C 2.720 178.814 176.117 -0.040 0.000 1.136 17 I CA 1.602 62.819 61.300 -0.139 0.000 1.425 17 I CB -0.285 37.618 38.000 -0.163 0.000 1.079 17 I HN 0.524 nan 8.210 nan 0.000 0.425 18 Q N -0.078 119.718 119.800 -0.007 0.000 2.245 18 Q HA -0.219 4.121 4.340 -0.000 0.000 0.201 18 Q C 2.095 178.178 176.000 0.139 0.000 0.955 18 Q CA 1.200 57.034 55.803 0.051 0.000 0.870 18 Q CB 0.001 28.776 28.738 0.062 0.000 0.945 18 Q HN 0.618 nan 8.270 nan 0.000 0.461 19 W N 0.664 121.969 121.300 0.008 0.000 2.576 19 W HA 0.051 4.711 4.660 -0.001 0.000 0.275 19 W C 1.719 178.266 176.519 0.046 0.000 1.241 19 W CA 0.864 58.269 57.345 0.100 0.000 1.328 19 W CB 0.317 29.948 29.460 0.285 0.000 1.092 19 W HN 0.103 nan 8.180 nan 0.000 0.586 20 E N 0.410 120.743 120.200 0.220 0.000 2.158 20 E HA -0.161 4.188 4.350 -0.000 0.000 0.191 20 E C 2.001 178.522 176.600 -0.132 0.000 0.982 20 E CA 0.967 57.373 56.400 0.010 0.000 0.823 20 E CB 0.042 29.855 29.700 0.189 0.000 0.766 20 E HN 0.225 nan 8.360 nan 0.000 0.468 21 K N 0.593 120.946 120.400 -0.078 0.000 1.991 21 K HA -0.184 4.136 4.320 -0.000 0.000 0.212 21 K C 2.154 178.673 176.600 -0.135 0.000 1.049 21 K CA 1.467 57.702 56.287 -0.087 0.000 0.932 21 K CB -0.082 32.386 32.500 -0.054 0.000 0.717 21 K HN -0.123 nan 8.250 nan 0.000 0.441 22 K N 1.063 121.368 120.400 -0.157 0.000 2.089 22 K HA -0.233 4.087 4.320 -0.000 0.000 0.210 22 K C 2.010 178.444 176.600 -0.276 0.000 1.048 22 K CA 1.756 57.930 56.287 -0.189 0.000 0.926 22 K CB -0.114 32.270 32.500 -0.193 0.000 0.714 22 K HN 0.112 nan 8.250 nan 0.000 0.448 23 E N -0.314 119.616 120.200 -0.451 0.000 2.076 23 E HA 0.011 4.360 4.350 -0.000 0.000 0.190 23 E C 1.708 178.163 176.600 -0.242 0.000 0.979 23 E CA 1.106 57.219 56.400 -0.478 0.000 0.807 23 E CB -0.157 28.993 29.700 -0.917 0.000 0.761 23 E HN 0.281 nan 8.360 nan 0.000 0.454 24 A N 0.550 123.262 122.820 -0.180 0.000 1.978 24 A HA -0.235 4.085 4.320 -0.000 0.000 0.220 24 A C 1.981 179.528 177.584 -0.060 0.000 1.170 24 A CA 1.820 53.808 52.037 -0.081 0.000 0.636 24 A CB -0.525 18.440 19.000 -0.057 0.000 0.810 24 A HN 0.324 nan 8.150 nan 0.000 0.448 25 E N -0.859 119.293 120.200 -0.080 0.000 2.046 25 E HA -0.145 4.205 4.350 -0.000 0.000 0.190 25 E C 2.249 178.817 176.600 -0.053 0.000 0.982 25 E CA 1.013 57.380 56.400 -0.056 0.000 0.800 25 E CB -0.137 29.529 29.700 -0.056 0.000 0.756 25 E HN 0.621 nan 8.360 nan 0.000 0.449 26 R N 0.691 121.146 120.500 -0.076 0.000 2.127 26 R HA -0.199 4.141 4.340 -0.000 0.000 0.228 26 R C 2.262 178.533 176.300 -0.048 0.000 1.125 26 R CA 2.056 58.117 56.100 -0.065 0.000 0.904 26 R CB -0.666 29.581 30.300 -0.088 0.000 0.831 26 R HN 0.025 nan 8.270 nan 0.000 0.431 27 V N 1.794 121.675 119.914 -0.054 0.000 2.317 27 V HA -0.310 3.810 4.120 -0.000 0.000 0.251 27 V C 2.393 178.474 176.094 -0.022 0.000 1.065 27 V CA 2.394 64.674 62.300 -0.033 0.000 1.049 27 V CB -0.950 30.856 31.823 -0.028 0.000 0.651 27 V HN 0.652 nan 8.190 nan 0.000 0.450 28 E N 0.953 121.144 120.200 -0.016 0.000 2.209 28 E HA -0.271 4.079 4.350 -0.000 0.000 0.196 28 E C 1.960 178.551 176.600 -0.015 0.000 0.993 28 E CA 1.760 58.154 56.400 -0.009 0.000 0.819 28 E CB -0.474 29.228 29.700 0.004 0.000 0.745 28 E HN 0.545 nan 8.360 nan 0.000 0.477 29 K N -0.356 120.033 120.400 -0.018 0.000 2.439 29 K HA 0.019 4.339 4.320 -0.000 0.000 0.197 29 K C 0.734 177.323 176.600 -0.017 0.000 1.041 29 K CA 0.878 57.155 56.287 -0.017 0.000 0.970 29 K CB 0.101 32.590 32.500 -0.019 0.000 0.773 29 K HN 0.171 nan 8.250 nan 0.000 0.479 30 N N 0.089 118.777 118.700 -0.019 0.000 2.299 30 N HA 0.071 4.811 4.740 -0.000 0.000 0.187 30 N C -0.093 175.404 175.510 -0.021 0.000 1.099 30 N CA 0.151 53.190 53.050 -0.018 0.000 0.867 30 N CB 0.253 38.730 38.487 -0.016 0.000 0.974 30 N HN 0.021 nan 8.380 nan 0.000 0.477 31 L N 1.466 122.674 121.223 -0.025 0.000 2.461 31 L HA 0.080 4.420 4.340 -0.000 0.000 0.272 31 L C 0.676 177.530 176.870 -0.028 0.000 1.197 31 L CA -0.413 54.408 54.840 -0.033 0.000 0.836 31 L CB 0.284 42.318 42.059 -0.041 0.000 1.105 31 L HN 0.185 nan 8.230 nan 0.000 0.477 32 D N -0.255 120.127 120.400 -0.030 0.000 2.496 32 D HA 0.146 4.785 4.640 -0.000 0.000 0.283 32 D C 0.966 177.250 176.300 -0.027 0.000 1.214 32 D CA -0.436 53.549 54.000 -0.025 0.000 1.089 32 D CB 0.066 40.854 40.800 -0.021 0.000 1.141 32 D HN 0.483 nan 8.370 nan 0.000 0.580 33 T N -0.843 113.698 114.554 -0.023 0.000 2.777 33 T HA -0.052 4.298 4.350 -0.000 0.000 0.266 33 T C 1.840 176.524 174.700 -0.028 0.000 1.040 33 T CA 0.832 62.919 62.100 -0.022 0.000 1.141 33 T CB -0.354 68.504 68.868 -0.017 0.000 0.868 33 T HN 0.219 nan 8.240 nan 0.000 0.444 34 L N 0.384 121.589 121.223 -0.030 0.000 2.095 34 L HA -0.002 4.337 4.340 -0.000 0.000 0.204 34 L C 2.761 179.601 176.870 -0.049 0.000 1.080 34 L CA 1.177 55.997 54.840 -0.034 0.000 0.759 34 L CB -0.462 41.580 42.059 -0.029 0.000 0.914 34 L HN 0.267 nan 8.230 nan 0.000 0.439 35 E N 0.427 120.593 120.200 -0.057 0.000 2.048 35 E HA -0.291 4.058 4.350 -0.000 0.000 0.202 35 E C 2.151 178.701 176.600 -0.083 0.000 1.021 35 E CA 1.659 58.013 56.400 -0.078 0.000 0.825 35 E CB -0.076 29.581 29.700 -0.072 0.000 0.756 35 E HN 0.366 nan 8.360 nan 0.000 0.454 36 K N 0.397 120.761 120.400 -0.061 0.000 2.103 36 K HA -0.180 4.140 4.320 -0.000 0.000 0.207 36 K C 2.204 178.770 176.600 -0.056 0.000 1.048 36 K CA 1.005 57.259 56.287 -0.056 0.000 0.930 36 K CB -0.048 32.431 32.500 -0.035 0.000 0.716 36 K HN 0.002 nan 8.250 nan 0.000 0.444 37 E N 0.923 121.095 120.200 -0.047 0.000 2.072 37 E HA -0.102 4.248 4.350 -0.000 0.000 0.191 37 E C 1.902 178.474 176.600 -0.047 0.000 0.985 37 E CA 1.197 57.574 56.400 -0.038 0.000 0.801 37 E CB -0.204 29.479 29.700 -0.029 0.000 0.750 37 E HN 0.268 nan 8.360 nan 0.000 0.452 38 A N 1.311 124.092 122.820 -0.065 0.000 1.865 38 A HA -0.189 4.131 4.320 -0.000 0.000 0.217 38 A C 2.454 179.976 177.584 -0.102 0.000 1.191 38 A CA 1.521 53.509 52.037 -0.082 0.000 0.623 38 A CB -0.973 17.956 19.000 -0.118 0.000 0.826 38 A HN 0.350 nan 8.150 nan 0.000 0.444 39 L N -0.795 120.340 121.223 -0.146 0.000 2.043 39 L HA -0.206 4.133 4.340 -0.000 0.000 0.212 39 L C 2.591 179.405 176.870 -0.093 0.000 1.075 39 L CA 1.803 56.528 54.840 -0.191 0.000 0.752 39 L CB -0.389 41.541 42.059 -0.215 0.000 0.891 39 L HN 0.391 nan 8.230 nan 0.000 0.432 40 E N -0.163 120.003 120.200 -0.056 0.000 2.204 40 E HA -0.175 4.174 4.350 -0.000 0.000 0.194 40 E C 2.219 178.813 176.600 -0.010 0.000 0.989 40 E CA 0.988 57.375 56.400 -0.022 0.000 0.824 40 E CB -0.140 29.550 29.700 -0.017 0.000 0.756 40 E HN 0.514 nan 8.360 nan 0.000 0.477 41 L N -0.542 120.675 121.223 -0.010 0.000 2.179 41 L HA -0.105 4.234 4.340 -0.000 0.000 0.208 41 L C 2.362 179.246 176.870 0.023 0.000 1.096 41 L CA 0.539 55.380 54.840 0.001 0.000 0.779 41 L CB -0.364 41.697 42.059 0.002 0.000 0.922 41 L HN 0.093 nan 8.230 nan 0.000 0.443 42 Y N 1.272 121.503 120.300 -0.114 0.000 2.128 42 Y HA -0.292 4.257 4.550 -0.001 0.000 0.284 42 Y C 2.473 178.330 175.900 -0.071 0.000 1.154 42 Y CA 1.623 59.652 58.100 -0.119 0.000 1.149 42 Y CB -0.030 38.283 38.460 -0.244 0.000 0.976 42 Y HN 0.008 nan 8.280 nan 0.000 0.505 43 K N 0.288 120.678 120.400 -0.018 0.000 2.002 43 K HA -0.187 4.132 4.320 -0.000 0.000 0.209 43 K C 1.960 178.507 176.600 -0.088 0.000 1.048 43 K CA 1.975 58.240 56.287 -0.036 0.000 0.930 43 K CB -0.317 32.219 32.500 0.061 0.000 0.714 43 K HN 0.307 nan 8.250 nan 0.000 0.438 44 K N 0.470 120.840 120.400 -0.050 0.000 2.360 44 K HA -0.145 4.174 4.320 -0.000 0.000 0.201 44 K C 0.422 176.979 176.600 -0.071 0.000 1.046 44 K CA 1.141 57.402 56.287 -0.045 0.000 0.940 44 K CB 0.009 32.496 32.500 -0.021 0.000 0.748 44 K HN 0.129 nan 8.250 nan 0.000 0.465 45 D N -0.734 119.595 120.400 -0.118 0.000 3.453 45 D HA 0.029 4.669 4.640 -0.000 0.000 0.312 45 D C 0.546 176.752 176.300 -0.156 0.000 1.349 45 D CA -0.058 53.881 54.000 -0.103 0.000 0.739 45 D CB 0.177 40.951 40.800 -0.044 0.000 1.312 45 D HN -0.025 nan 8.370 nan 0.000 0.628 46 S N -0.639 114.863 115.700 -0.329 0.000 2.395 46 S HA -0.076 4.393 4.470 -0.000 0.000 0.225 46 S C 1.765 176.286 174.600 -0.132 0.000 1.027 46 S CA 0.532 58.420 58.200 -0.520 0.000 0.965 46 S CB -0.023 62.558 63.200 -1.033 0.000 0.812 46 S HN 0.323 nan 8.310 nan 0.000 0.482 47 E N 1.168 121.323 120.200 -0.074 0.000 2.038 47 E HA -0.225 4.125 4.350 -0.000 0.000 0.195 47 E C 2.426 179.060 176.600 0.057 0.000 1.000 47 E CA 1.459 57.867 56.400 0.013 0.000 0.803 47 E CB -0.219 29.486 29.700 0.008 0.000 0.750 47 E HN 0.680 nan 8.360 nan 0.000 0.448 48 Q N 0.563 120.390 119.800 0.044 0.000 2.124 48 Q HA -0.188 4.152 4.340 -0.000 0.000 0.202 48 Q C 2.168 178.251 176.000 0.138 0.000 0.977 48 Q CA 1.219 57.067 55.803 0.075 0.000 0.850 48 Q CB -0.075 28.692 28.738 0.048 0.000 0.901 48 Q HN 0.365 nan 8.270 nan 0.000 0.429 49 I N 0.477 121.140 120.570 0.155 0.000 2.286 49 I HA -0.240 3.929 4.170 -0.000 0.000 0.248 49 I C 2.412 178.773 176.117 0.406 0.000 1.115 49 I CA 0.960 62.437 61.300 0.294 0.000 1.392 49 I CB -0.207 37.985 38.000 0.320 0.000 1.065 49 I HN 0.114 nan 8.210 nan 0.000 0.418 50 S N 0.642 116.549 115.700 0.344 0.000 2.355 50 S HA -0.145 4.325 4.470 -0.000 0.000 0.222 50 S C 1.664 176.339 174.600 0.125 0.000 1.031 50 S CA 1.473 59.850 58.200 0.295 0.000 0.993 50 S CB -0.526 62.830 63.200 0.259 0.000 0.859 50 S HN 0.474 nan 8.310 nan 0.000 0.453 51 N N 0.145 118.916 118.700 0.118 0.000 2.037 51 N HA -0.237 4.503 4.740 -0.000 0.000 0.196 51 N C 1.684 177.232 175.510 0.063 0.000 1.034 51 N CA 1.816 54.912 53.050 0.076 0.000 0.861 51 N CB -0.364 38.178 38.487 0.092 0.000 1.039 51 N HN 0.386 nan 8.380 nan 0.000 0.427 52 Y N 2.040 122.352 120.300 0.020 0.000 2.102 52 Y HA -0.288 4.261 4.550 -0.001 0.000 0.280 52 Y C 2.633 178.445 175.900 -0.147 0.000 1.178 52 Y CA 1.926 60.014 58.100 -0.019 0.000 1.146 52 Y CB -0.613 37.860 38.460 0.022 0.000 0.968 52 Y HN 0.131 nan 8.280 nan 0.000 0.504 53 S N -0.845 114.686 115.700 -0.282 0.000 2.474 53 S HA -0.190 4.279 4.470 -0.000 0.000 0.235 53 S C 1.764 176.034 174.600 -0.550 0.000 0.997 53 S CA 1.113 58.942 58.200 -0.617 0.000 0.949 53 S CB -0.435 62.344 63.200 -0.702 0.000 0.766 53 S HN 0.664 nan 8.310 nan 0.000 0.517 54 Q N 1.378 120.970 119.800 -0.347 0.000 2.046 54 Q HA -0.027 4.312 4.340 -0.000 0.000 0.200 54 Q C 1.203 177.029 176.000 -0.290 0.000 0.975 54 Q CA 1.645 57.289 55.803 -0.265 0.000 0.836 54 Q CB -0.043 28.610 28.738 -0.142 0.000 0.896 54 Q HN 0.843 nan 8.270 nan 0.000 0.428 55 T N -3.164 111.199 114.554 -0.319 0.000 3.448 55 T HA 0.329 4.679 4.350 -0.000 0.000 0.271 55 T C 0.536 174.983 174.700 -0.423 0.000 1.002 55 T CA -0.579 61.357 62.100 -0.272 0.000 0.995 55 T CB 0.502 69.258 68.868 -0.186 0.000 1.153 55 T HN 0.080 nan 8.240 nan 0.000 0.510 56 R N 0.983 121.087 120.500 -0.660 0.000 2.200 56 R HA 0.040 4.380 4.340 -0.000 0.000 0.208 56 R C 1.162 177.147 176.300 -0.524 0.000 1.033 56 R CA 1.015 56.663 56.100 -0.753 0.000 1.000 56 R CB 0.152 29.774 30.300 -1.131 0.000 0.906 56 R HN 0.458 nan 8.270 nan 0.000 0.462 57 Q N -1.391 117.905 119.800 -0.841 0.000 2.198 57 Q HA 0.093 4.433 4.340 -0.000 0.000 0.209 57 Q C -0.036 175.404 176.000 -0.933 0.000 0.848 57 Q CA 0.112 55.427 55.803 -0.814 0.000 0.974 57 Q CB 0.461 28.639 28.738 -0.934 0.000 1.115 57 Q HN 0.300 nan 8.270 nan 0.000 0.494 58 Y N -0.881 118.946 120.300 -0.789 0.000 2.462 58 Y HA 0.252 4.802 4.550 -0.001 0.000 0.261 58 Y C 0.287 175.706 175.900 -0.802 0.000 1.146 58 Y CA -0.861 56.725 58.100 -0.857 0.000 1.283 58 Y CB 0.230 38.034 38.460 -1.094 0.000 1.090 58 Y HN -0.002 nan 8.280 nan 0.000 0.526 59 F N -1.764 118.121 119.950 -0.108 0.000 2.234 59 F HA 0.246 4.773 4.527 -0.001 0.000 0.292 59 F C 0.317 176.020 175.800 -0.162 0.000 1.187 59 F CA -1.192 56.755 58.000 -0.088 0.000 1.128 59 F CB -0.103 38.879 39.000 -0.029 0.000 1.507 59 F HN -0.270 nan 8.300 nan 0.000 0.512 60 Y N 1.191 121.450 120.300 -0.070 0.000 2.314 60 Y HA 0.025 4.574 4.550 -0.001 0.000 0.334 60 Y C 1.452 177.171 175.900 -0.302 0.000 1.266 60 Y CA -0.378 57.521 58.100 -0.334 0.000 1.391 60 Y CB 0.320 38.262 38.460 -0.862 0.000 1.306 60 Y HN 0.537 nan 8.280 nan 0.000 0.558 61 D N -0.026 120.358 120.400 -0.027 0.000 2.133 61 D HA -0.337 4.303 4.640 -0.000 0.000 0.195 61 D C 1.457 177.778 176.300 0.036 0.000 0.997 61 D CA 2.255 56.261 54.000 0.011 0.000 0.840 61 D CB -1.042 39.795 40.800 0.062 0.000 0.947 61 D HN 0.724 nan 8.370 nan 0.000 0.452 62 Y N -0.178 120.188 120.300 0.111 0.000 2.373 62 Y HA 0.111 4.661 4.550 -0.000 0.000 0.293 62 Y C 1.950 177.897 175.900 0.080 0.000 1.129 62 Y CA 0.646 58.783 58.100 0.062 0.000 1.226 62 Y CB -0.962 37.501 38.460 0.004 0.000 1.000 62 Y HN 0.001 nan 8.280 nan 0.000 0.549 63 Q N 0.604 120.318 119.800 -0.144 0.000 2.311 63 Q HA 0.047 4.386 4.340 -0.000 0.000 0.203 63 Q C 2.029 178.068 176.000 0.065 0.000 0.954 63 Q CA 1.311 57.133 55.803 0.031 0.000 0.885 63 Q CB -0.057 28.699 28.738 0.030 0.000 0.963 63 Q HN 0.594 nan 8.270 nan 0.000 0.471 64 I N 1.221 121.840 120.570 0.082 0.000 2.162 64 I HA -0.259 3.910 4.170 -0.000 0.000 0.238 64 I C 2.115 178.300 176.117 0.114 0.000 1.076 64 I CA 1.359 62.729 61.300 0.118 0.000 1.353 64 I CB -0.394 37.658 38.000 0.087 0.000 1.063 64 I HN 0.185 nan 8.210 nan 0.000 0.408 65 E N 1.159 121.420 120.200 0.102 0.000 2.097 65 E HA -0.250 4.099 4.350 -0.000 0.000 0.196 65 E C 1.877 178.524 176.600 0.077 0.000 1.000 65 E CA 1.738 58.194 56.400 0.094 0.000 0.804 65 E CB -0.511 29.243 29.700 0.090 0.000 0.740 65 E HN 0.520 nan 8.360 nan 0.000 0.454 66 S N 0.517 116.268 115.700 0.085 0.000 2.720 66 S HA -0.023 4.447 4.470 -0.000 0.000 0.222 66 S C 0.516 175.130 174.600 0.023 0.000 0.958 66 S CA -0.446 57.790 58.200 0.060 0.000 0.943 66 S CB -0.294 62.959 63.200 0.087 0.000 0.779 66 S HN 0.068 nan 8.310 nan 0.000 0.526 67 N N 3.182 121.891 118.700 0.014 0.000 2.430 67 N HA 0.246 4.986 4.740 -0.000 0.000 0.265 67 N C -1.635 173.820 175.510 -0.092 0.000 1.100 67 N CA -1.696 51.324 53.050 -0.052 0.000 0.961 67 N CB 1.594 40.053 38.487 -0.048 0.000 1.075 67 N HN 0.132 nan 8.380 nan 0.000 0.478 68 P HA -0.098 nan 4.420 nan 0.000 0.221 68 P C 0.797 178.001 177.300 -0.160 0.000 1.145 68 P CA 1.089 64.128 63.100 -0.101 0.000 0.795 68 P CB 0.474 32.123 31.700 -0.085 0.000 0.775 69 R N -0.518 119.791 120.500 -0.319 0.000 2.246 69 R HA -0.009 4.331 4.340 -0.000 0.000 0.199 69 R C 2.214 178.242 176.300 -0.454 0.000 0.984 69 R CA 0.408 56.211 56.100 -0.496 0.000 1.015 69 R CB -0.163 29.589 30.300 -0.913 0.000 0.930 69 R HN 0.100 nan 8.270 nan 0.000 0.475 70 E N 1.130 121.169 120.200 -0.268 0.000 2.208 70 E HA -0.145 4.205 4.350 -0.000 0.000 0.193 70 E C 1.636 178.334 176.600 0.164 0.000 0.988 70 E CA 1.111 57.582 56.400 0.118 0.000 0.828 70 E CB 0.151 29.962 29.700 0.185 0.000 0.763 70 E HN 0.016 nan 8.360 nan 0.000 0.478 71 K N 0.592 121.025 120.400 0.054 0.000 1.978 71 K HA -0.283 4.036 4.320 -0.000 0.000 0.214 71 K C 2.130 178.765 176.600 0.060 0.000 1.049 71 K CA 1.969 58.284 56.287 0.047 0.000 0.939 71 K CB -0.248 32.258 32.500 0.009 0.000 0.721 71 K HN 0.116 nan 8.250 nan 0.000 0.441 72 E N -0.133 120.098 120.200 0.052 0.000 2.118 72 E HA -0.244 4.106 4.350 -0.000 0.000 0.195 72 E C 1.954 178.647 176.600 0.155 0.000 0.992 72 E CA 1.592 58.034 56.400 0.069 0.000 0.804 72 E CB -0.494 29.243 29.700 0.062 0.000 0.741 72 E HN 0.437 nan 8.360 nan 0.000 0.458 73 Y N 1.143 121.553 120.300 0.184 0.000 2.049 73 Y HA -0.233 4.317 4.550 -0.000 0.000 0.277 73 Y C 2.041 178.096 175.900 0.258 0.000 1.143 73 Y CA 2.145 60.449 58.100 0.340 0.000 1.115 73 Y CB -0.422 38.300 38.460 0.437 0.000 0.975 73 Y HN -0.115 nan 8.280 nan 0.000 0.487 74 K N 0.838 121.148 120.400 -0.151 0.000 2.089 74 K HA -0.225 4.095 4.320 -0.000 0.000 0.210 74 K C 1.694 178.194 176.600 -0.166 0.000 1.048 74 K CA 1.760 57.928 56.287 -0.199 0.000 0.926 74 K CB -0.694 31.815 32.500 0.014 0.000 0.714 74 K HN 0.492 nan 8.250 nan 0.000 0.448 75 N N 0.623 119.266 118.700 -0.096 0.000 2.142 75 N HA -0.145 4.595 4.740 -0.000 0.000 0.186 75 N C 1.697 177.116 175.510 -0.153 0.000 1.023 75 N CA 0.620 53.612 53.050 -0.097 0.000 0.852 75 N CB -0.336 38.114 38.487 -0.062 0.000 0.998 75 N HN 0.047 nan 8.380 nan 0.000 0.424 76 L N 1.839 122.948 121.223 -0.190 0.000 2.093 76 L HA -0.004 4.335 4.340 -0.000 0.000 0.208 76 L C 2.387 179.076 176.870 -0.302 0.000 1.085 76 L CA 1.281 55.918 54.840 -0.339 0.000 0.755 76 L CB -0.721 41.012 42.059 -0.543 0.000 0.904 76 L HN 0.078 nan 8.230 nan 0.000 0.435 77 R N -0.301 120.071 120.500 -0.214 0.000 2.094 77 R HA -0.216 4.124 4.340 -0.000 0.000 0.239 77 R C 2.081 178.312 176.300 -0.116 0.000 1.137 77 R CA 2.357 58.373 56.100 -0.140 0.000 0.943 77 R CB -0.371 29.701 30.300 -0.380 0.000 0.850 77 R HN 0.551 nan 8.270 nan 0.000 0.433 78 N N -0.254 118.367 118.700 -0.130 0.000 2.043 78 N HA -0.193 4.547 4.740 -0.000 0.000 0.193 78 N C 1.902 177.364 175.510 -0.080 0.000 1.037 78 N CA 1.077 54.077 53.050 -0.085 0.000 0.851 78 N CB -0.267 38.176 38.487 -0.072 0.000 1.027 78 N HN 0.346 nan 8.380 nan 0.000 0.422 79 A N 2.044 124.799 122.820 -0.110 0.000 1.915 79 A HA -0.223 4.096 4.320 -0.000 0.000 0.220 79 A C 2.095 179.617 177.584 -0.104 0.000 1.198 79 A CA 1.453 53.420 52.037 -0.117 0.000 0.647 79 A CB -0.845 18.052 19.000 -0.171 0.000 0.825 79 A HN 0.249 nan 8.150 nan 0.000 0.456 80 I N 0.462 120.962 120.570 -0.117 0.000 2.286 80 I HA -0.193 3.977 4.170 -0.000 0.000 0.248 80 I C 2.530 178.635 176.117 -0.021 0.000 1.115 80 I CA 2.029 63.285 61.300 -0.073 0.000 1.392 80 I CB -1.095 36.876 38.000 -0.049 0.000 1.065 80 I HN 0.529 nan 8.210 nan 0.000 0.418 81 S N 0.218 115.908 115.700 -0.017 0.000 2.501 81 S HA -0.046 4.423 4.470 -0.000 0.000 0.220 81 S C 1.787 176.386 174.600 -0.001 0.000 0.997 81 S CA 0.089 58.290 58.200 0.002 0.000 0.919 81 S CB -0.021 63.182 63.200 0.004 0.000 0.778 81 S HN 0.165 nan 8.310 nan 0.000 0.523 82 K N 2.982 123.373 120.400 -0.015 0.000 2.127 82 K HA -0.143 4.177 4.320 -0.000 0.000 0.212 82 K C 0.502 177.102 176.600 -0.000 0.000 1.050 82 K CA 1.732 58.012 56.287 -0.012 0.000 0.929 82 K CB -0.460 32.025 32.500 -0.024 0.000 0.715 82 K HN 0.502 nan 8.250 nan 0.000 0.457 83 N N 0.726 119.429 118.700 0.005 0.000 2.706 83 N HA 0.087 4.827 4.740 -0.000 0.000 0.240 83 N C -1.678 173.852 175.510 0.034 0.000 1.039 83 N CA -0.526 52.535 53.050 0.018 0.000 0.888 83 N CB 0.461 38.959 38.487 0.018 0.000 1.128 83 N HN -0.065 nan 8.380 nan 0.000 0.512 84 K N 3.035 123.455 120.400 0.033 0.000 2.249 84 K HA 0.248 4.567 4.320 -0.000 0.000 0.280 84 K C 0.604 177.235 176.600 0.051 0.000 1.033 84 K CA -0.613 55.698 56.287 0.040 0.000 0.946 84 K CB 1.109 33.627 32.500 0.030 0.000 1.005 84 K HN 0.619 nan 8.250 nan 0.000 0.469 85 I N 0.655 121.261 120.570 0.060 0.000 2.662 85 I HA -0.122 4.048 4.170 -0.000 0.000 0.285 85 I C 0.338 176.490 176.117 0.058 0.000 1.161 85 I CA -0.147 61.198 61.300 0.075 0.000 1.415 85 I CB 0.087 38.136 38.000 0.081 0.000 1.385 85 I HN 0.541 nan 8.210 nan 0.000 0.552 86 D N 4.110 124.555 120.400 0.075 0.000 3.192 86 D HA -0.326 4.313 4.640 -0.000 0.000 0.543 86 D C 0.282 176.602 176.300 0.032 0.000 1.080 86 D CA 2.061 56.101 54.000 0.068 0.000 1.545 86 D CB -0.424 40.440 40.800 0.107 0.000 0.300 86 D HN 0.653 nan 8.370 nan 0.000 0.628 87 K N -1.637 118.773 120.400 0.017 0.000 2.931 87 K HA 0.361 4.681 4.320 -0.000 0.000 0.292 87 K C -2.765 173.820 176.600 -0.026 0.000 1.077 87 K CA -1.191 55.088 56.287 -0.012 0.000 0.829 87 K CB 0.387 32.871 32.500 -0.026 0.000 1.488 87 K HN -0.087 nan 8.250 nan 0.000 0.358 88 P HA 0.334 nan 4.420 nan 0.000 0.271 88 P C -0.481 176.778 177.300 -0.069 0.000 1.233 88 P CA -0.284 62.780 63.100 -0.061 0.000 0.789 88 P CB 0.586 32.238 31.700 -0.080 0.000 0.951 89 I N 0.472 121.001 120.570 -0.068 0.000 3.006 89 I HA 0.326 4.495 4.170 -0.000 0.000 0.306 89 I C -1.193 174.876 176.117 -0.080 0.000 1.250 89 I CA -0.993 60.269 61.300 -0.063 0.000 0.996 89 I CB 2.329 40.325 38.000 -0.008 0.000 1.261 89 I HN 0.235 nan 8.210 nan 0.000 0.442 90 N N 4.138 122.803 118.700 -0.059 0.000 2.372 90 N HA 0.592 5.332 4.740 -0.000 0.000 0.291 90 N C -1.069 174.427 175.510 -0.022 0.000 1.024 90 N CA -0.454 52.509 53.050 -0.145 0.000 0.873 90 N CB 2.128 40.519 38.487 -0.159 0.000 1.206 90 N HN 0.342 nan 8.380 nan 0.000 0.486 91 V N -0.749 119.089 119.914 -0.125 0.000 3.019 91 V HA 0.676 4.796 4.120 -0.000 0.000 0.317 91 V C -1.330 174.672 176.094 -0.153 0.000 1.094 91 V CA -0.719 61.612 62.300 0.052 0.000 1.000 91 V CB 1.356 33.261 31.823 0.138 0.000 1.060 91 V HN 0.521 nan 8.190 nan 0.000 0.443 92 Y N 2.544 122.875 120.300 0.051 0.000 2.346 92 Y HA 0.797 5.347 4.550 -0.000 0.000 0.332 92 Y C -0.426 175.448 175.900 -0.043 0.000 0.985 92 Y CA -0.643 57.405 58.100 -0.087 0.000 1.112 92 Y CB 1.867 40.228 38.460 -0.165 0.000 1.170 92 Y HN 0.878 nan 8.280 nan 0.000 0.447 93 Y N -0.527 119.749 120.300 -0.039 0.000 2.615 93 Y HA 0.786 5.336 4.550 -0.000 0.000 0.341 93 Y C -1.722 174.098 175.900 -0.133 0.000 1.089 93 Y CA -2.555 55.533 58.100 -0.021 0.000 1.049 93 Y CB 1.133 39.636 38.460 0.071 0.000 1.296 93 Y HN 0.324 nan 8.280 nan 0.000 0.470 94 F N 1.791 121.867 119.950 0.210 0.000 2.394 94 F HA 0.430 4.956 4.527 -0.001 0.000 0.340 94 F C 0.450 176.400 175.800 0.250 0.000 1.105 94 F CA -0.262 57.819 58.000 0.135 0.000 1.124 94 F CB 1.051 40.110 39.000 0.099 0.000 1.145 94 F HN 0.418 nan 8.300 nan 0.000 0.505 95 E N 0.675 121.081 120.200 0.343 0.000 2.222 95 E HA 0.236 4.586 4.350 -0.000 0.000 0.267 95 E C -0.742 175.997 176.600 0.232 0.000 0.963 95 E CA -0.565 56.004 56.400 0.282 0.000 0.837 95 E CB 2.037 31.880 29.700 0.239 0.000 1.183 95 E HN 0.459 nan 8.360 nan 0.000 0.403 96 S N 1.245 117.032 115.700 0.145 0.000 2.565 96 S HA 0.249 4.719 4.470 -0.000 0.000 0.274 96 S C -1.868 172.796 174.600 0.106 0.000 1.309 96 S CA -1.359 56.912 58.200 0.118 0.000 1.043 96 S CB 0.693 63.938 63.200 0.075 0.000 0.939 96 S HN 0.142 nan 8.310 nan 0.000 0.504 97 P HA 0.082 nan 4.420 nan 0.000 0.227 97 P C 0.965 178.399 177.300 0.224 0.000 1.161 97 P CA 0.415 63.644 63.100 0.214 0.000 0.788 97 P CB 0.151 31.972 31.700 0.203 0.000 0.822 98 E N 0.642 120.941 120.200 0.165 0.000 2.113 98 E HA -0.267 4.082 4.350 -0.000 0.000 0.210 98 E C 1.904 178.517 176.600 0.021 0.000 1.040 98 E CA 1.710 58.171 56.400 0.102 0.000 0.847 98 E CB -0.746 28.989 29.700 0.059 0.000 0.755 98 E HN 0.069 nan 8.360 nan 0.000 0.459 99 K N -0.387 119.946 120.400 -0.111 0.000 2.160 99 K HA -0.126 4.193 4.320 -0.000 0.000 0.206 99 K C 1.062 177.354 176.600 -0.514 0.000 1.047 99 K CA 1.295 57.370 56.287 -0.352 0.000 0.930 99 K CB -0.342 31.825 32.500 -0.555 0.000 0.720 99 K HN 0.197 nan 8.250 nan 0.000 0.450 100 F N -0.336 119.558 119.950 -0.095 0.000 2.645 100 F HA 0.318 4.845 4.527 -0.000 0.000 0.300 100 F C 0.674 176.537 175.800 0.106 0.000 1.115 100 F CA 0.070 57.890 58.000 -0.300 0.000 1.355 100 F CB 0.380 39.087 39.000 -0.488 0.000 1.026 100 F HN 0.107 nan 8.300 nan 0.000 0.536 101 A N 0.346 123.336 122.820 0.283 0.000 3.115 101 A HA -0.305 4.015 4.320 -0.000 0.000 0.255 101 A C -0.194 177.575 177.584 0.308 0.000 1.380 101 A CA 0.364 52.580 52.037 0.299 0.000 0.806 101 A CB -2.562 16.682 19.000 0.408 0.000 1.044 101 A HN 0.428 nan 8.150 nan 0.000 0.589 102 F N 0.960 120.984 119.950 0.124 0.000 2.443 102 F HA 0.566 5.093 4.527 -0.000 0.000 0.369 102 F C 0.524 176.365 175.800 0.068 0.000 1.090 102 F CA -0.836 57.220 58.000 0.093 0.000 1.129 102 F CB 0.670 39.725 39.000 0.090 0.000 1.367 102 F HN 0.108 nan 8.300 nan 0.000 0.465 103 N N 3.716 122.323 118.700 -0.156 0.000 2.446 103 N HA -0.020 4.720 4.740 -0.000 0.000 0.179 103 N C 0.816 176.231 175.510 -0.158 0.000 1.054 103 N CA 0.508 53.502 53.050 -0.092 0.000 0.905 103 N CB 0.079 38.528 38.487 -0.063 0.000 0.973 103 N HN 0.549 nan 8.380 nan 0.000 0.448 104 K N 0.752 120.893 120.400 -0.430 0.000 3.040 104 K HA 0.067 4.387 4.320 -0.000 0.000 0.353 104 K C 0.316 176.905 176.600 -0.019 0.000 1.045 104 K CA 0.343 56.431 56.287 -0.333 0.000 1.127 104 K CB 0.151 32.283 32.500 -0.614 0.000 1.003 104 K HN -0.018 nan 8.250 nan 0.000 0.438 105 E N 0.258 120.563 120.200 0.175 0.000 2.640 105 E HA 0.055 4.405 4.350 -0.000 0.000 0.360 105 E C 0.340 177.103 176.600 0.273 0.000 1.014 105 E CA -0.147 56.396 56.400 0.238 0.000 0.757 105 E CB 0.231 29.999 29.700 0.113 0.000 1.565 105 E HN 0.363 nan 8.360 nan 0.000 0.381 106 I N 2.389 123.143 120.570 0.306 0.000 2.203 106 I HA -0.322 3.848 4.170 -0.000 0.000 0.237 106 I C 0.891 177.082 176.117 0.123 0.000 0.993 106 I CA 2.256 63.660 61.300 0.173 0.000 1.277 106 I CB -1.050 37.006 38.000 0.093 0.000 0.984 106 I HN 0.716 nan 8.210 nan 0.000 0.402 107 R N -1.624 118.930 120.500 0.090 0.000 3.737 107 R HA 0.197 4.537 4.340 -0.000 0.000 0.240 107 R C -0.645 175.675 176.300 0.034 0.000 1.044 107 R CA -0.231 55.900 56.100 0.052 0.000 1.164 107 R CB -0.032 30.283 30.300 0.026 0.000 1.244 107 R HN -0.085 nan 8.270 nan 0.000 0.537 108 T N 1.605 116.176 114.554 0.028 0.000 2.814 108 T HA 0.112 4.462 4.350 -0.000 0.000 0.297 108 T C 1.116 175.819 174.700 0.006 0.000 0.956 108 T CA 0.946 63.059 62.100 0.023 0.000 1.123 108 T CB 0.645 69.527 68.868 0.023 0.000 0.902 108 T HN 0.867 nan 8.240 nan 0.000 0.528 109 E N 4.719 124.923 120.200 0.007 0.000 3.489 109 E HA -0.440 3.909 4.350 -0.000 0.000 0.199 109 E C 1.194 177.787 176.600 -0.012 0.000 1.086 109 E CA 3.137 59.537 56.400 -0.001 0.000 1.941 109 E CB -1.364 28.340 29.700 0.006 0.000 1.804 109 E HN 0.859 nan 8.360 nan 0.000 0.323 110 N N -0.577 118.118 118.700 -0.009 0.000 2.368 110 N HA -0.019 4.721 4.740 -0.000 0.000 0.176 110 N C -0.042 175.456 175.510 -0.021 0.000 1.021 110 N CA 0.281 53.324 53.050 -0.012 0.000 0.888 110 N CB 0.170 38.653 38.487 -0.006 0.000 0.995 110 N HN 0.318 nan 8.380 nan 0.000 0.437 111 Q N 0.524 120.311 119.800 -0.021 0.000 2.386 111 Q HA -0.003 4.337 4.340 -0.000 0.000 0.282 111 Q C -0.496 175.469 176.000 -0.058 0.000 1.050 111 Q CA 0.500 56.285 55.803 -0.030 0.000 0.918 111 Q CB 0.504 29.230 28.738 -0.020 0.000 1.266 111 Q HN 0.266 nan 8.270 nan 0.000 0.423 112 N N 1.365 120.025 118.700 -0.068 0.000 2.291 112 N HA 0.110 4.850 4.740 -0.000 0.000 0.244 112 N C -1.327 174.114 175.510 -0.114 0.000 1.216 112 N CA 0.046 53.032 53.050 -0.107 0.000 0.879 112 N CB 0.819 39.261 38.487 -0.074 0.000 1.167 112 N HN 0.409 nan 8.380 nan 0.000 0.515 113 E N 0.426 120.574 120.200 -0.086 0.000 2.290 113 E HA 0.453 4.803 4.350 -0.000 0.000 0.274 113 E C -1.415 175.158 176.600 -0.045 0.000 0.889 113 E CA -0.373 55.990 56.400 -0.061 0.000 0.760 113 E CB 1.345 31.022 29.700 -0.038 0.000 1.206 113 E HN 0.014 nan 8.360 nan 0.000 0.419 114 I N 3.175 123.723 120.570 -0.037 0.000 2.389 114 I HA 0.291 4.461 4.170 -0.000 0.000 0.288 114 I C -0.267 175.861 176.117 0.019 0.000 0.999 114 I CA -0.932 60.367 61.300 -0.002 0.000 1.129 114 I CB 1.951 39.954 38.000 0.006 0.000 1.288 114 I HN 0.417 nan 8.210 nan 0.000 0.444 115 S N 6.030 121.759 115.700 0.048 0.000 2.544 115 S HA -0.003 4.467 4.470 -0.000 0.000 0.290 115 S C 1.315 175.970 174.600 0.092 0.000 1.276 115 S CA -0.432 57.804 58.200 0.060 0.000 1.075 115 S CB 0.774 64.020 63.200 0.077 0.000 0.849 115 S HN 0.558 nan 8.310 nan 0.000 0.494 116 L N 2.648 123.907 121.223 0.061 0.000 2.137 116 L HA -0.187 4.152 4.340 -0.000 0.000 0.213 116 L C 1.838 178.813 176.870 0.175 0.000 1.085 116 L CA 2.142 57.038 54.840 0.092 0.000 0.760 116 L CB -0.828 41.255 42.059 0.040 0.000 0.893 116 L HN 0.614 nan 8.230 nan 0.000 0.434 117 E N 0.466 120.741 120.200 0.124 0.000 2.006 117 E HA -0.175 4.175 4.350 -0.000 0.000 0.192 117 E C 2.186 178.875 176.600 0.148 0.000 0.993 117 E CA 1.549 58.021 56.400 0.120 0.000 0.808 117 E CB -0.164 29.588 29.700 0.088 0.000 0.764 117 E HN 0.450 nan 8.360 nan 0.000 0.449 118 K N -0.065 120.430 120.400 0.159 0.000 2.103 118 K HA -0.181 4.139 4.320 -0.000 0.000 0.207 118 K C 2.247 178.927 176.600 0.134 0.000 1.048 118 K CA 1.315 57.719 56.287 0.195 0.000 0.930 118 K CB -0.464 32.160 32.500 0.206 0.000 0.716 118 K HN 0.159 nan 8.250 nan 0.000 0.444 119 F N 2.870 122.822 119.950 0.004 0.000 2.126 119 F HA -0.218 4.309 4.527 -0.000 0.000 0.299 119 F C 1.501 177.282 175.800 -0.031 0.000 1.096 119 F CA 1.707 59.682 58.000 -0.041 0.000 1.255 119 F CB -0.343 38.639 39.000 -0.030 0.000 0.997 119 F HN 0.032 nan 8.300 nan 0.000 0.479 120 N N -0.030 118.681 118.700 0.018 0.000 2.270 120 N HA -0.147 4.592 4.740 -0.000 0.000 0.181 120 N C 1.704 177.136 175.510 -0.129 0.000 1.016 120 N CA 1.043 54.024 53.050 -0.114 0.000 0.870 120 N CB -0.218 38.323 38.487 0.091 0.000 0.979 120 N HN 0.411 nan 8.380 nan 0.000 0.431 121 E N 0.484 120.683 120.200 -0.002 0.000 2.049 121 E HA -0.226 4.124 4.350 -0.000 0.000 0.198 121 E C 1.751 178.390 176.600 0.064 0.000 1.007 121 E CA 0.913 57.384 56.400 0.119 0.000 0.809 121 E CB -0.069 29.829 29.700 0.330 0.000 0.749 121 E HN 0.170 nan 8.360 nan 0.000 0.450 122 L N 1.651 122.757 121.223 -0.196 0.000 1.956 122 L HA -0.273 4.066 4.340 -0.000 0.000 0.216 122 L C 2.220 178.902 176.870 -0.314 0.000 1.073 122 L CA 2.289 56.853 54.840 -0.459 0.000 0.762 122 L CB -0.732 40.906 42.059 -0.701 0.000 0.889 122 L HN 0.013 nan 8.230 nan 0.000 0.433 123 K N -0.778 119.344 120.400 -0.463 0.000 2.117 123 K HA -0.340 3.980 4.320 -0.000 0.000 0.215 123 K C 2.158 178.659 176.600 -0.165 0.000 1.053 123 K CA 2.443 58.514 56.287 -0.360 0.000 0.935 123 K CB -0.288 31.921 32.500 -0.485 0.000 0.719 123 K HN 0.570 nan 8.250 nan 0.000 0.460 124 E N -0.957 119.178 120.200 -0.110 0.000 2.047 124 E HA -0.114 4.236 4.350 -0.000 0.000 0.191 124 E C 1.512 178.134 176.600 0.037 0.000 0.987 124 E CA 1.789 58.176 56.400 -0.021 0.000 0.799 124 E CB 0.103 29.807 29.700 0.006 0.000 0.752 124 E HN 0.370 nan 8.360 nan 0.000 0.449 125 T N 1.216 115.824 114.554 0.090 0.000 2.977 125 T HA -0.063 4.286 4.350 -0.000 0.000 0.271 125 T C 1.000 175.817 174.700 0.194 0.000 1.105 125 T CA 1.059 63.264 62.100 0.174 0.000 1.116 125 T CB -0.365 68.691 68.868 0.312 0.000 0.878 125 T HN 0.322 nan 8.240 nan 0.000 0.509 126 I N -0.649 119.978 120.570 0.094 0.000 2.641 126 I HA 0.537 4.707 4.170 -0.000 0.000 0.275 126 I C -0.314 175.825 176.117 0.036 0.000 1.129 126 I CA -0.945 60.435 61.300 0.135 0.000 1.094 126 I CB 1.549 39.525 38.000 -0.040 0.000 1.232 126 I HN -0.164 nan 8.210 nan 0.000 0.503 127 Q N 2.326 122.156 119.800 0.050 0.000 2.618 127 Q HA 0.273 4.613 4.340 -0.000 0.000 0.209 127 Q C 0.303 176.312 176.000 0.014 0.000 0.797 127 Q CA 0.265 56.070 55.803 0.004 0.000 0.888 127 Q CB 0.608 29.339 28.738 -0.011 0.000 1.244 127 Q HN 0.548 nan 8.270 nan 0.000 0.626 128 D N 0.545 120.951 120.400 0.011 0.000 2.670 128 D HA 0.206 4.846 4.640 -0.000 0.000 0.255 128 D C -0.592 175.690 176.300 -0.030 0.000 1.286 128 D CA 0.020 54.016 54.000 -0.006 0.000 0.830 128 D CB 0.749 41.542 40.800 -0.011 0.000 1.065 128 D HN 0.115 nan 8.370 nan 0.000 0.486 129 K N 0.940 121.320 120.400 -0.033 0.000 2.182 129 K HA 0.401 4.721 4.320 -0.000 0.000 0.262 129 K C -0.451 176.063 176.600 -0.144 0.000 0.957 129 K CA -0.840 55.333 56.287 -0.189 0.000 0.842 129 K CB 2.308 34.561 32.500 -0.412 0.000 1.099 129 K HN -0.152 nan 8.250 nan 0.000 0.438 130 L N 3.084 124.198 121.223 -0.182 0.000 2.350 130 L HA 0.390 4.729 4.340 -0.000 0.000 0.275 130 L C -0.675 176.110 176.870 -0.141 0.000 1.099 130 L CA 0.264 55.074 54.840 -0.050 0.000 0.808 130 L CB 0.193 42.235 42.059 -0.029 0.000 1.149 130 L HN 0.441 nan 8.230 nan 0.000 0.442 131 F N 1.805 121.831 119.950 0.127 0.000 2.539 131 F HA 0.384 4.911 4.527 -0.000 0.000 0.328 131 F C -0.211 175.655 175.800 0.110 0.000 1.148 131 F CA -1.402 56.689 58.000 0.152 0.000 0.940 131 F CB 1.334 40.521 39.000 0.312 0.000 1.194 131 F HN 0.306 nan 8.300 nan 0.000 0.438 132 K N 2.709 123.218 120.400 0.182 0.000 2.401 132 K HA 0.330 4.650 4.320 -0.000 0.000 0.278 132 K C -0.886 175.724 176.600 0.015 0.000 1.018 132 K CA -0.193 56.131 56.287 0.062 0.000 0.981 132 K CB 0.538 33.026 32.500 -0.019 0.000 0.933 132 K HN 0.407 nan 8.250 nan 0.000 0.477 133 Q N 2.508 122.241 119.800 -0.111 0.000 2.304 133 Q HA 0.417 4.757 4.340 -0.000 0.000 0.270 133 Q C -1.195 174.591 176.000 -0.358 0.000 1.035 133 Q CA -0.535 55.139 55.803 -0.214 0.000 0.781 133 Q CB 2.469 31.062 28.738 -0.242 0.000 1.261 133 Q HN 0.800 nan 8.270 nan 0.000 0.444 134 D N 0.567 120.810 120.400 -0.261 0.000 2.756 134 D HA 0.652 5.292 4.640 -0.000 0.000 0.226 134 D C 0.027 176.180 176.300 -0.245 0.000 1.186 134 D CA -0.200 53.643 54.000 -0.262 0.000 0.845 134 D CB 2.404 43.077 40.800 -0.213 0.000 1.610 134 D HN 0.682 nan 8.370 nan 0.000 0.465 135 G N 0.199 108.821 108.800 -0.295 0.000 2.662 135 G HA2 -0.108 3.851 3.960 -0.000 0.000 0.686 135 G HA3 -0.108 3.851 3.960 -0.000 0.000 0.686 135 G C -0.847 173.926 174.900 -0.211 0.000 1.271 135 G CA -1.104 43.795 45.100 -0.335 0.000 0.816 135 G HN 0.336 nan 8.290 nan 0.000 0.608 136 F N 1.022 120.993 119.950 0.036 0.000 2.450 136 F HA 0.576 5.103 4.527 -0.000 0.000 0.339 136 F C 1.107 176.924 175.800 0.028 0.000 1.146 136 F CA 0.898 58.913 58.000 0.026 0.000 1.267 136 F CB 1.424 40.459 39.000 0.058 0.000 1.178 136 F HN 0.783 nan 8.300 nan 0.000 0.585 137 K N 0.230 120.759 120.400 0.215 0.000 2.568 137 K HA 0.331 4.651 4.320 -0.000 0.000 0.273 137 K C -2.189 174.489 176.600 0.130 0.000 0.951 137 K CA -1.055 55.314 56.287 0.137 0.000 0.854 137 K CB 1.596 34.073 32.500 -0.038 0.000 1.424 137 K HN 0.307 nan 8.250 nan 0.000 0.427 138 D N 2.030 122.540 120.400 0.183 0.000 2.304 138 D HA 0.326 4.966 4.640 -0.000 0.000 0.250 138 D C -0.129 176.251 176.300 0.132 0.000 1.107 138 D CA -0.191 53.925 54.000 0.193 0.000 0.885 138 D CB 1.849 42.808 40.800 0.266 0.000 1.192 138 D HN 0.485 nan 8.370 nan 0.000 0.436 139 V N -1.078 118.923 119.914 0.145 0.000 3.160 139 V HA 0.802 4.922 4.120 -0.000 0.000 0.310 139 V C -0.405 175.781 176.094 0.154 0.000 1.181 139 V CA -0.774 61.637 62.300 0.185 0.000 1.047 139 V CB 1.973 33.913 31.823 0.195 0.000 1.068 139 V HN 0.474 nan 8.190 nan 0.000 0.441 140 S N 0.163 115.953 115.700 0.150 0.000 2.677 140 S HA 0.747 5.217 4.470 -0.000 0.000 0.304 140 S C -0.326 174.340 174.600 0.110 0.000 1.108 140 S CA -0.603 57.617 58.200 0.032 0.000 0.944 140 S CB 1.787 64.881 63.200 -0.176 0.000 1.127 140 S HN 0.835 nan 8.310 nan 0.000 0.511 141 L N 1.596 122.875 121.223 0.094 0.000 2.731 141 L HA 0.487 4.827 4.340 -0.000 0.000 0.240 141 L C -0.702 176.374 176.870 0.343 0.000 1.120 141 L CA 0.311 55.318 54.840 0.279 0.000 0.913 141 L CB -0.394 41.819 42.059 0.256 0.000 1.213 141 L HN 0.752 nan 8.230 nan 0.000 0.515 142 Y N -2.981 117.284 120.300 -0.057 0.000 2.581 142 Y HA 0.588 5.138 4.550 -0.000 0.000 0.345 142 Y C 0.009 175.400 175.900 -0.849 0.000 1.036 142 Y CA -2.112 55.773 58.100 -0.358 0.000 1.042 142 Y CB 0.366 38.702 38.460 -0.207 0.000 1.289 142 Y HN 0.010 nan 8.280 nan 0.000 0.471 143 E N 3.061 122.537 120.200 -1.207 0.000 2.414 143 E HA 0.238 4.588 4.350 -0.000 0.000 0.263 143 E C -2.415 173.960 176.600 -0.375 0.000 1.000 143 E CA -1.698 54.117 56.400 -0.975 0.000 0.914 143 E CB 0.515 29.858 29.700 -0.594 0.000 0.948 143 E HN 0.473 nan 8.360 nan 0.000 0.444 144 P HA 0.163 nan 4.420 nan 0.000 0.272 144 P C -0.521 176.761 177.300 -0.029 0.000 1.223 144 P CA -0.125 62.917 63.100 -0.096 0.000 0.784 144 P CB 1.250 32.942 31.700 -0.013 0.000 0.923 145 G N 0.664 109.485 108.800 0.035 0.000 3.021 145 G HA2 0.260 4.219 3.960 -0.000 0.000 0.290 145 G HA3 0.260 4.219 3.960 -0.000 0.000 0.290 145 G C -1.071 173.855 174.900 0.043 0.000 1.291 145 G CA -1.043 44.075 45.100 0.031 0.000 0.834 145 G HN 0.506 nan 8.290 nan 0.000 0.564 146 N N 0.381 119.106 118.700 0.042 0.000 2.223 146 N HA 0.252 4.992 4.740 -0.000 0.000 0.271 146 N C 1.172 176.706 175.510 0.040 0.000 1.315 146 N CA 1.371 54.446 53.050 0.040 0.000 0.835 146 N CB 0.421 38.928 38.487 0.032 0.000 1.066 146 N HN 1.253 nan 8.380 nan 0.000 0.486 147 G N 2.004 110.828 108.800 0.039 0.000 2.349 147 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.213 147 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.213 147 G C -0.512 174.416 174.900 0.046 0.000 1.044 147 G CA -0.247 44.877 45.100 0.038 0.000 0.633 147 G HN 0.631 nan 8.290 nan 0.000 0.506 148 D N 1.395 121.831 120.400 0.059 0.000 2.313 148 D HA 0.495 5.135 4.640 -0.000 0.000 0.247 148 D C 0.494 176.813 176.300 0.030 0.000 1.094 148 D CA -0.213 53.825 54.000 0.063 0.000 0.925 148 D CB 1.167 42.016 40.800 0.083 0.000 1.188 148 D HN 0.537 nan 8.370 nan 0.000 0.430 149 E N 0.776 120.989 120.200 0.021 0.000 2.437 149 E HA -0.040 4.310 4.350 -0.000 0.000 0.263 149 E C -0.584 175.954 176.600 -0.103 0.000 1.030 149 E CA 0.109 56.494 56.400 -0.025 0.000 0.934 149 E CB 0.427 30.122 29.700 -0.008 0.000 0.943 149 E HN 0.307 nan 8.360 nan 0.000 0.444 150 K N 4.495 124.746 120.400 -0.249 0.000 3.157 150 K HA 0.171 4.490 4.320 -0.000 0.000 0.173 150 K C -2.088 174.099 176.600 -0.689 0.000 1.127 150 K CA -0.982 54.918 56.287 -0.644 0.000 0.849 150 K CB 1.401 33.701 32.500 -0.333 0.000 1.038 150 K HN 0.425 nan 8.250 nan 0.000 0.603 151 P HA -0.112 nan 4.420 nan 0.000 0.225 151 P C 0.379 177.552 177.300 -0.212 0.000 1.156 151 P CA 1.042 63.954 63.100 -0.312 0.000 0.787 151 P CB 0.257 31.848 31.700 -0.181 0.000 0.802 152 T N -4.102 110.269 114.554 -0.304 0.000 2.907 152 T HA 0.485 4.835 4.350 -0.000 0.000 0.290 152 T C -2.582 172.262 174.700 0.241 0.000 1.066 152 T CA -2.014 60.113 62.100 0.045 0.000 1.012 152 T CB 2.255 71.245 68.868 0.202 0.000 1.184 152 T HN -0.242 nan 8.240 nan 0.000 0.522 153 P HA 0.283 nan 4.420 nan 0.000 0.257 153 P C -0.164 177.399 177.300 0.439 0.000 1.325 153 P CA -0.135 63.208 63.100 0.405 0.000 0.850 153 P CB 0.163 31.956 31.700 0.156 0.000 1.324 154 L N 1.066 122.555 121.223 0.443 0.000 2.294 154 L HA 0.401 4.740 4.340 -0.000 0.000 0.283 154 L C -0.772 176.206 176.870 0.181 0.000 1.015 154 L CA -0.870 54.139 54.840 0.281 0.000 0.831 154 L CB 1.477 43.657 42.059 0.201 0.000 1.217 154 L HN -0.104 nan 8.230 nan 0.000 0.420 155 L N 6.481 127.674 121.223 -0.049 0.000 2.298 155 L HA 0.470 4.809 4.340 -0.000 0.000 0.284 155 L C -0.601 176.067 176.870 -0.337 0.000 1.013 155 L CA -0.546 54.041 54.840 -0.421 0.000 0.824 155 L CB 1.767 43.533 42.059 -0.488 0.000 1.221 155 L HN 0.460 nan 8.230 nan 0.000 0.418 156 I N 4.749 125.020 120.570 -0.497 0.000 2.315 156 I HA 0.179 4.349 4.170 -0.000 0.000 0.291 156 I C -0.162 175.642 176.117 -0.522 0.000 1.006 156 I CA -0.492 60.492 61.300 -0.526 0.000 1.265 156 I CB 0.799 38.331 38.000 -0.779 0.000 1.387 156 I HN 0.546 nan 8.210 nan 0.000 0.475 157 H N 7.192 125.974 119.070 -0.480 0.000 2.661 157 H HA 0.509 5.065 4.556 -0.000 0.000 0.290 157 H C -1.328 173.759 175.328 -0.401 0.000 1.082 157 H CA -0.245 55.453 56.048 -0.584 0.000 1.234 157 H CB 0.747 30.225 29.762 -0.474 0.000 1.387 157 H HN 0.551 nan 8.280 nan 0.000 0.476 158 L N 4.950 125.848 121.223 -0.542 0.000 2.322 158 L HA 0.399 4.739 4.340 -0.000 0.000 0.281 158 L C -0.374 176.264 176.870 -0.386 0.000 1.014 158 L CA -0.954 53.679 54.840 -0.344 0.000 0.815 158 L CB 1.068 43.074 42.059 -0.089 0.000 1.247 158 L HN 0.554 nan 8.230 nan 0.000 0.421 159 K N 5.887 126.086 120.400 -0.336 0.000 2.250 159 K HA 0.379 4.699 4.320 -0.000 0.000 0.280 159 K C -0.817 175.647 176.600 -0.226 0.000 1.098 159 K CA -0.522 55.600 56.287 -0.276 0.000 0.916 159 K CB 0.435 32.791 32.500 -0.240 0.000 1.209 159 K HN 0.584 nan 8.250 nan 0.000 0.461 160 L N 6.436 127.548 121.223 -0.185 0.000 2.416 160 L HA 0.231 4.571 4.340 -0.000 0.000 0.272 160 L C -1.976 174.815 176.870 -0.131 0.000 1.161 160 L CA -2.068 52.670 54.840 -0.169 0.000 0.845 160 L CB 0.550 42.555 42.059 -0.090 0.000 1.119 160 L HN 0.479 nan 8.230 nan 0.000 0.464 161 P HA 0.010 nan 4.420 nan 0.000 0.270 161 P C 0.348 177.616 177.300 -0.052 0.000 1.223 161 P CA -0.380 62.668 63.100 -0.088 0.000 0.785 161 P CB 0.592 32.243 31.700 -0.082 0.000 0.923 162 K N 2.038 122.413 120.400 -0.042 0.000 2.148 162 K HA -0.301 4.018 4.320 -0.000 0.000 0.213 162 K C 0.962 177.558 176.600 -0.007 0.000 1.050 162 K CA 2.248 58.521 56.287 -0.022 0.000 0.932 162 K CB -0.290 32.199 32.500 -0.019 0.000 0.717 162 K HN 0.311 nan 8.250 nan 0.000 0.462 163 N N 0.093 118.788 118.700 -0.007 0.000 2.279 163 N HA 0.051 4.791 4.740 -0.000 0.000 0.226 163 N C -1.208 174.313 175.510 0.019 0.000 1.126 163 N CA -0.082 52.972 53.050 0.008 0.000 0.846 163 N CB 0.613 39.104 38.487 0.008 0.000 1.050 163 N HN 0.059 nan 8.380 nan 0.000 0.502 164 T N -0.553 114.013 114.554 0.019 0.000 2.918 164 T HA 0.338 4.688 4.350 -0.000 0.000 0.302 164 T C 0.734 175.465 174.700 0.051 0.000 1.045 164 T CA -0.341 61.781 62.100 0.037 0.000 1.114 164 T CB 1.072 69.959 68.868 0.030 0.000 0.965 164 T HN 0.254 nan 8.240 nan 0.000 0.540 165 G N 1.887 110.722 108.800 0.059 0.000 2.415 165 G HA2 0.553 4.512 3.960 -0.000 0.000 0.269 165 G HA3 0.553 4.512 3.960 -0.000 0.000 0.269 165 G C -0.734 174.206 174.900 0.067 0.000 1.209 165 G CA -0.479 44.654 45.100 0.054 0.000 0.835 165 G HN 0.672 nan 8.290 nan 0.000 0.534 166 M N 2.490 122.129 119.600 0.064 0.000 2.294 166 M HA 0.347 4.826 4.480 -0.000 0.000 0.280 166 M C -2.192 174.154 176.300 0.077 0.000 1.085 166 M CA -0.811 54.539 55.300 0.084 0.000 0.969 166 M CB 2.089 34.759 32.600 0.116 0.000 1.770 166 M HN 0.454 nan 8.290 nan 0.000 0.485 167 L N 8.520 129.789 121.223 0.077 0.000 2.324 167 L HA 0.701 5.040 4.340 -0.000 0.000 0.274 167 L C -2.529 174.450 176.870 0.181 0.000 1.012 167 L CA -1.123 53.767 54.840 0.083 0.000 0.859 167 L CB 1.462 43.522 42.059 0.001 0.000 1.224 167 L HN 0.340 nan 8.230 nan 0.000 0.429 168 P HA 0.320 nan 4.420 nan 0.000 0.292 168 P C -1.908 175.464 177.300 0.121 0.000 1.287 168 P CA -0.099 63.056 63.100 0.092 0.000 0.800 168 P CB 0.711 32.431 31.700 0.032 0.000 0.945 169 Y N 1.268 121.567 120.300 -0.001 0.000 2.504 169 Y HA 0.600 5.149 4.550 -0.000 0.000 0.344 169 Y C -0.661 175.245 175.900 0.010 0.000 1.023 169 Y CA -1.974 56.122 58.100 -0.008 0.000 1.020 169 Y CB 0.536 38.987 38.460 -0.014 0.000 1.282 169 Y HN 0.023 nan 8.280 nan 0.000 0.454 170 I N 3.248 123.848 120.570 0.050 0.000 2.648 170 I HA 0.120 4.289 4.170 -0.000 0.000 0.284 170 I C -0.038 176.142 176.117 0.105 0.000 1.153 170 I CA 0.346 61.652 61.300 0.010 0.000 1.426 170 I CB 0.271 38.289 38.000 0.029 0.000 1.381 170 I HN 0.856 nan 8.210 nan 0.000 0.571 171 N N 2.373 121.093 118.700 0.034 0.000 2.229 171 N HA 0.281 5.021 4.740 -0.000 0.000 0.298 171 N C 0.803 176.340 175.510 0.045 0.000 1.114 171 N CA 0.154 53.263 53.050 0.098 0.000 0.776 171 N CB 1.210 39.785 38.487 0.145 0.000 1.501 171 N HN 0.738 nan 8.380 nan 0.000 0.474 172 S N 3.104 118.833 115.700 0.048 0.000 1.803 172 S HA -0.408 4.062 4.470 -0.000 0.000 0.531 172 S C 1.079 175.688 174.600 0.016 0.000 0.919 172 S CA 2.365 60.582 58.200 0.029 0.000 3.338 172 S CB -0.981 62.233 63.200 0.025 0.000 2.326 172 S HN 0.830 nan 8.310 nan 0.000 0.574 173 N N 2.393 121.098 118.700 0.009 0.000 2.322 173 N HA 0.224 4.963 4.740 -0.000 0.000 0.181 173 N C -0.709 174.796 175.510 -0.008 0.000 1.088 173 N CA 0.600 53.651 53.050 0.001 0.000 0.885 173 N CB 0.242 38.730 38.487 0.003 0.000 1.013 173 N HN 0.794 nan 8.380 nan 0.000 0.472 174 D N -1.194 119.199 120.400 -0.011 0.000 2.449 174 D HA 0.327 4.967 4.640 -0.000 0.000 0.250 174 D C -0.557 175.705 176.300 -0.064 0.000 1.050 174 D CA -0.834 53.152 54.000 -0.023 0.000 1.024 174 D CB 1.030 41.830 40.800 0.000 0.000 1.218 174 D HN -0.285 nan 8.370 nan 0.000 0.566 175 V N 0.251 120.122 119.914 -0.071 0.000 2.472 175 V HA 0.458 4.577 4.120 -0.000 0.000 0.290 175 V C 0.077 176.059 176.094 -0.186 0.000 1.037 175 V CA -0.633 61.588 62.300 -0.131 0.000 0.908 175 V CB 1.066 32.850 31.823 -0.065 0.000 0.985 175 V HN 0.398 nan 8.190 nan 0.000 0.454 176 K N 2.000 122.136 120.400 -0.439 0.000 2.395 176 K HA 0.692 5.012 4.320 -0.000 0.000 0.247 176 K C -0.646 175.714 176.600 -0.400 0.000 0.973 176 K CA -0.601 55.392 56.287 -0.490 0.000 0.828 176 K CB 2.441 34.464 32.500 -0.796 0.000 1.272 176 K HN 0.719 nan 8.250 nan 0.000 0.439 177 T N 1.481 116.000 114.554 -0.059 0.000 2.792 177 T HA 0.422 4.771 4.350 -0.000 0.000 0.280 177 T C -0.739 174.090 174.700 0.216 0.000 0.990 177 T CA -0.662 61.504 62.100 0.111 0.000 0.960 177 T CB 1.069 70.015 68.868 0.129 0.000 0.939 177 T HN 0.171 nan 8.240 nan 0.000 0.439 178 L N 5.061 126.419 121.223 0.225 0.000 2.322 178 L HA 0.783 5.122 4.340 -0.000 0.000 0.281 178 L C -0.715 176.176 176.870 0.036 0.000 1.014 178 L CA -1.030 53.855 54.840 0.076 0.000 0.815 178 L CB 0.792 42.753 42.059 -0.164 0.000 1.247 178 L HN 0.764 nan 8.230 nan 0.000 0.421 179 I N 0.057 120.664 120.570 0.061 0.000 3.042 179 I HA 0.625 4.795 4.170 -0.000 0.000 0.310 179 I C -0.873 175.357 176.117 0.189 0.000 1.117 179 I CA -0.752 60.611 61.300 0.105 0.000 1.003 179 I CB 2.245 40.318 38.000 0.122 0.000 1.228 179 I HN 0.593 nan 8.210 nan 0.000 0.443 180 E N 2.685 123.004 120.200 0.199 0.000 2.145 180 E HA 0.298 4.648 4.350 -0.000 0.000 0.262 180 E C -1.153 175.486 176.600 0.065 0.000 0.883 180 E CA -0.629 55.895 56.400 0.208 0.000 0.748 180 E CB 1.402 31.254 29.700 0.253 0.000 1.140 180 E HN 0.620 nan 8.360 nan 0.000 0.417 181 Q N 2.141 121.905 119.800 -0.060 0.000 2.364 181 Q HA 0.049 4.389 4.340 -0.000 0.000 0.267 181 Q C -0.194 175.549 176.000 -0.429 0.000 0.999 181 Q CA 0.525 56.134 55.803 -0.324 0.000 0.886 181 Q CB 0.808 29.308 28.738 -0.396 0.000 1.243 181 Q HN 0.421 nan 8.270 nan 0.000 0.415 182 D N 0.795 120.785 120.400 -0.684 0.000 2.583 182 D HA 0.088 4.727 4.640 -0.000 0.000 0.282 182 D C -1.480 174.665 176.300 -0.257 0.000 1.485 182 D CA 0.128 53.929 54.000 -0.333 0.000 0.834 182 D CB 0.480 41.230 40.800 -0.083 0.000 1.258 182 D HN 0.498 nan 8.370 nan 0.000 0.470 183 Y N -2.006 118.273 120.300 -0.036 0.000 2.705 183 Y HA 0.803 5.353 4.550 -0.000 0.000 0.332 183 Y C 0.036 175.933 175.900 -0.004 0.000 1.157 183 Y CA -1.233 56.847 58.100 -0.033 0.000 1.091 183 Y CB 0.694 39.142 38.460 -0.019 0.000 1.301 183 Y HN -0.332 nan 8.280 nan 0.000 0.488 184 S N 0.792 116.648 115.700 0.259 0.000 2.704 184 S HA 0.678 5.147 4.470 -0.000 0.000 0.305 184 S C -1.525 173.263 174.600 0.314 0.000 1.107 184 S CA -0.597 57.744 58.200 0.235 0.000 0.993 184 S CB 1.469 64.739 63.200 0.117 0.000 1.110 184 S HN 0.491 nan 8.310 nan 0.000 0.534 185 I N 2.018 122.771 120.570 0.304 0.000 2.499 185 I HA 0.414 4.584 4.170 -0.000 0.000 0.288 185 I C -0.534 175.726 176.117 0.239 0.000 1.048 185 I CA -0.740 60.725 61.300 0.276 0.000 1.062 185 I CB 1.785 40.014 38.000 0.381 0.000 1.238 185 I HN 0.575 nan 8.210 nan 0.000 0.426 186 K N 6.384 126.859 120.400 0.124 0.000 2.206 186 K HA 0.589 4.909 4.320 -0.000 0.000 0.264 186 K C -0.973 175.643 176.600 0.028 0.000 0.967 186 K CA -0.578 55.763 56.287 0.089 0.000 0.844 186 K CB 1.243 33.763 32.500 0.034 0.000 1.099 186 K HN 0.393 nan 8.250 nan 0.000 0.441 187 I N 4.601 125.173 120.570 0.004 0.000 2.312 187 I HA 0.024 4.194 4.170 -0.000 0.000 0.291 187 I C 0.626 176.707 176.117 -0.060 0.000 1.031 187 I CA 0.066 61.313 61.300 -0.088 0.000 1.293 187 I CB 1.282 39.160 38.000 -0.204 0.000 1.403 187 I HN 0.705 nan 8.210 nan 0.000 0.484 188 D N 5.243 125.607 120.400 -0.059 0.000 2.213 188 D HA 0.006 4.646 4.640 -0.000 0.000 0.205 188 D C 0.675 176.951 176.300 -0.040 0.000 0.961 188 D CA 1.030 55.004 54.000 -0.042 0.000 0.853 188 D CB 0.349 41.125 40.800 -0.039 0.000 0.967 188 D HN 0.396 nan 8.370 nan 0.000 0.496 189 K N 0.310 120.680 120.400 -0.050 0.000 2.592 189 K HA 0.274 4.594 4.320 -0.000 0.000 0.259 189 K C -1.766 174.812 176.600 -0.037 0.000 0.937 189 K CA -0.465 55.804 56.287 -0.030 0.000 0.874 189 K CB 1.597 34.092 32.500 -0.010 0.000 1.339 189 K HN -0.012 nan 8.250 nan 0.000 0.425 190 I N 1.636 122.197 120.570 -0.015 0.000 2.545 190 I HA 0.746 4.915 4.170 -0.000 0.000 0.292 190 I C -0.872 175.330 176.117 0.142 0.000 1.040 190 I CA -0.828 60.478 61.300 0.009 0.000 1.068 190 I CB 1.855 39.812 38.000 -0.071 0.000 1.251 190 I HN 0.294 nan 8.210 nan 0.000 0.424 191 V N 2.900 122.893 119.914 0.132 0.000 3.040 191 V HA 0.652 4.771 4.120 -0.000 0.000 0.312 191 V C -0.290 175.863 176.094 0.098 0.000 1.115 191 V CA -0.994 61.386 62.300 0.133 0.000 0.998 191 V CB 1.748 33.599 31.823 0.047 0.000 1.042 191 V HN 0.985 nan 8.190 nan 0.000 0.433 192 R N 3.201 123.688 120.500 -0.022 0.000 2.340 192 R HA 0.789 5.129 4.340 -0.000 0.000 0.300 192 R C -0.615 175.675 176.300 -0.017 0.000 1.069 192 R CA -0.274 55.795 56.100 -0.052 0.000 0.984 192 R CB 1.006 31.175 30.300 -0.219 0.000 1.003 192 R HN 0.961 nan 8.270 nan 0.000 0.459 193 I N -1.688 118.907 120.570 0.042 0.000 3.174 193 I HA 0.667 4.837 4.170 -0.000 0.000 0.313 193 I C -1.060 175.120 176.117 0.105 0.000 1.155 193 I CA -1.518 59.815 61.300 0.055 0.000 0.977 193 I CB 2.254 40.290 38.000 0.059 0.000 1.248 193 I HN 0.372 nan 8.210 nan 0.000 0.453 194 V N 3.533 123.507 119.914 0.100 0.000 2.823 194 V HA 0.721 4.841 4.120 -0.000 0.000 0.312 194 V C -1.128 175.065 176.094 0.164 0.000 1.072 194 V CA -0.614 61.765 62.300 0.132 0.000 0.937 194 V CB 2.102 33.960 31.823 0.059 0.000 1.013 194 V HN 0.702 nan 8.190 nan 0.000 0.430 195 I N 4.336 125.054 120.570 0.247 0.000 2.627 195 I HA 0.428 4.597 4.170 -0.000 0.000 0.288 195 I C -0.264 175.984 176.117 0.218 0.000 1.202 195 I CA -0.265 61.154 61.300 0.199 0.000 1.050 195 I CB 2.131 40.219 38.000 0.146 0.000 1.264 195 I HN 0.840 nan 8.210 nan 0.000 0.429 196 E N 4.113 124.387 120.200 0.123 0.000 2.320 196 E HA -0.250 4.100 4.350 -0.000 0.000 0.234 196 E C 1.030 177.681 176.600 0.084 0.000 1.183 196 E CA 0.636 57.094 56.400 0.097 0.000 0.713 196 E CB -1.441 28.324 29.700 0.108 0.000 1.226 196 E HN 1.249 nan 8.360 nan 0.000 0.382 197 G N 0.329 109.170 108.800 0.068 0.000 2.200 197 G HA2 -0.405 3.554 3.960 -0.000 0.000 0.267 197 G HA3 -0.405 3.554 3.960 -0.000 0.000 0.267 197 G C 0.275 175.192 174.900 0.028 0.000 0.993 197 G CA 1.400 46.525 45.100 0.040 0.000 0.701 197 G HN 0.372 nan 8.290 nan 0.000 0.524 198 K N -0.322 120.113 120.400 0.058 0.000 2.166 198 K HA 0.562 4.882 4.320 -0.000 0.000 0.245 198 K C 0.105 176.643 176.600 -0.104 0.000 0.967 198 K CA -0.693 55.564 56.287 -0.050 0.000 0.863 198 K CB 0.910 33.363 32.500 -0.078 0.000 1.107 198 K HN 0.187 nan 8.250 nan 0.000 0.436 199 Q N 1.932 121.560 119.800 -0.287 0.000 2.271 199 Q HA 0.319 4.659 4.340 -0.000 0.000 0.258 199 Q C -1.745 174.048 176.000 -0.344 0.000 0.936 199 Q CA -0.527 55.160 55.803 -0.193 0.000 0.909 199 Q CB 0.903 29.565 28.738 -0.127 0.000 1.253 199 Q HN 0.453 nan 8.270 nan 0.000 0.440 200 Y N 1.711 122.044 120.300 0.055 0.000 2.534 200 Y HA 0.420 4.969 4.550 -0.000 0.000 0.345 200 Y C -0.349 175.595 175.900 0.073 0.000 1.031 200 Y CA -0.907 57.249 58.100 0.093 0.000 1.022 200 Y CB 1.442 39.990 38.460 0.146 0.000 1.292 200 Y HN 0.451 nan 8.280 nan 0.000 0.459 201 I N 2.538 123.258 120.570 0.250 0.000 2.428 201 I HA 0.321 4.491 4.170 -0.000 0.000 0.289 201 I C -0.368 175.812 176.117 0.106 0.000 1.019 201 I CA -0.683 60.716 61.300 0.165 0.000 1.351 201 I CB 1.572 39.650 38.000 0.131 0.000 1.412 201 I HN 0.498 nan 8.210 nan 0.000 0.513 202 K N 5.186 125.623 120.400 0.061 0.000 2.463 202 K HA 0.679 4.999 4.320 -0.000 0.000 0.255 202 K C -1.210 175.370 176.600 -0.034 0.000 0.942 202 K CA -0.448 55.833 56.287 -0.011 0.000 0.814 202 K CB 1.727 34.217 32.500 -0.015 0.000 1.122 202 K HN 0.748 nan 8.250 nan 0.000 0.425 203 A N 4.142 126.907 122.820 -0.091 0.000 2.288 203 A HA 0.397 4.717 4.320 -0.000 0.000 0.320 203 A C -0.865 176.652 177.584 -0.112 0.000 1.217 203 A CA -0.719 51.242 52.037 -0.128 0.000 0.840 203 A CB 0.746 19.622 19.000 -0.207 0.000 1.179 203 A HN 0.732 nan 8.150 nan 0.000 0.504 204 E N 1.329 121.477 120.200 -0.086 0.000 2.115 204 E HA 0.525 4.875 4.350 -0.000 0.000 0.282 204 E C -0.424 176.111 176.600 -0.109 0.000 0.987 204 E CA -0.118 56.243 56.400 -0.065 0.000 0.797 204 E CB 1.789 31.479 29.700 -0.018 0.000 1.086 204 E HN 0.690 nan 8.360 nan 0.000 0.397 205 A N 2.384 125.117 122.820 -0.145 0.000 2.374 205 A HA 0.712 5.031 4.320 -0.000 0.000 0.317 205 A C -0.356 177.151 177.584 -0.128 0.000 1.094 205 A CA -0.650 51.316 52.037 -0.119 0.000 0.765 205 A CB 1.281 20.225 19.000 -0.093 0.000 1.268 205 A HN 0.570 nan 8.150 nan 0.000 0.438 206 S N 0.700 116.348 115.700 -0.087 0.000 2.599 206 S HA 0.754 5.224 4.470 -0.000 0.000 0.287 206 S C -0.656 173.893 174.600 -0.085 0.000 1.105 206 S CA -0.599 57.536 58.200 -0.109 0.000 0.899 206 S CB 1.094 64.235 63.200 -0.098 0.000 1.100 206 S HN 0.582 nan 8.310 nan 0.000 0.482 207 I N 1.886 122.368 120.570 -0.146 0.000 2.371 207 I HA 0.300 4.470 4.170 -0.000 0.000 0.290 207 I C -0.857 175.221 176.117 -0.065 0.000 1.028 207 I CA -0.692 60.515 61.300 -0.154 0.000 1.345 207 I CB 1.355 39.144 38.000 -0.353 0.000 1.407 207 I HN 0.383 nan 8.210 nan 0.000 0.501 208 V N 7.113 127.028 119.914 0.002 0.000 2.350 208 V HA 0.180 4.300 4.120 -0.000 0.000 0.276 208 V C 0.197 176.299 176.094 0.012 0.000 1.028 208 V CA -0.609 61.692 62.300 0.001 0.000 0.860 208 V CB 1.155 32.985 31.823 0.011 0.000 0.990 208 V HN 0.683 nan 8.190 nan 0.000 0.453 209 N N 2.997 121.692 118.700 -0.009 0.000 2.497 209 N HA 0.381 5.121 4.740 -0.000 0.000 0.271 209 N C -0.220 175.270 175.510 -0.033 0.000 1.142 209 N CA -0.084 52.960 53.050 -0.010 0.000 0.965 209 N CB 0.718 39.192 38.487 -0.022 0.000 1.077 209 N HN 0.799 nan 8.380 nan 0.000 0.462 210 S N 1.861 117.527 115.700 -0.055 0.000 2.548 210 S HA 0.427 4.897 4.470 -0.000 0.000 0.286 210 S C -0.507 173.971 174.600 -0.203 0.000 1.098 210 S CA -1.001 57.130 58.200 -0.115 0.000 0.930 210 S CB 1.241 64.377 63.200 -0.107 0.000 1.070 210 S HN 0.313 nan 8.310 nan 0.000 0.480 211 L N 2.174 123.209 121.223 -0.313 0.000 2.410 211 L HA 0.435 4.775 4.340 -0.000 0.000 0.273 211 L C -0.413 176.067 176.870 -0.650 0.000 1.152 211 L CA 0.223 54.730 54.840 -0.556 0.000 0.855 211 L CB 0.404 42.004 42.059 -0.765 0.000 1.129 211 L HN 0.758 nan 8.230 nan 0.000 0.463 212 D N 2.531 122.505 120.400 -0.711 0.000 2.479 212 D HA 0.200 4.839 4.640 -0.000 0.000 0.246 212 D C -0.009 176.014 176.300 -0.462 0.000 1.336 212 D CA -0.416 53.309 54.000 -0.458 0.000 0.967 212 D CB 0.905 41.565 40.800 -0.233 0.000 1.275 212 D HN 0.189 nan 8.370 nan 0.000 0.577 213 F N 2.708 122.603 119.950 -0.092 0.000 2.664 213 F HA 0.210 4.737 4.527 -0.000 0.000 0.296 213 F C 1.951 177.684 175.800 -0.111 0.000 1.125 213 F CA -0.050 57.890 58.000 -0.100 0.000 1.444 213 F CB -0.121 38.812 39.000 -0.111 0.000 1.114 213 F HN 0.258 nan 8.300 nan 0.000 0.576 214 K N 0.303 120.727 120.400 0.040 0.000 1.721 214 K HA -0.331 3.989 4.320 -0.000 0.000 0.121 214 K C 1.089 177.535 176.600 -0.256 0.000 1.152 214 K CA 1.967 58.135 56.287 -0.199 0.000 0.360 214 K CB -1.344 31.010 32.500 -0.243 0.000 0.626 214 K HN 0.358 nan 8.250 nan 0.000 0.878 215 D N 1.134 121.374 120.400 -0.266 0.000 2.347 215 D HA -0.077 4.563 4.640 -0.000 0.000 0.215 215 D C 0.512 176.727 176.300 -0.142 0.000 0.976 215 D CA 0.765 54.628 54.000 -0.229 0.000 0.884 215 D CB -0.305 40.362 40.800 -0.222 0.000 0.915 215 D HN 0.300 nan 8.370 nan 0.000 0.526 216 D N 1.433 121.789 120.400 -0.073 0.000 2.713 216 D HA -0.006 4.633 4.640 -0.000 0.000 0.229 216 D C 1.797 178.034 176.300 -0.104 0.000 1.136 216 D CA -0.258 53.715 54.000 -0.044 0.000 1.010 216 D CB 0.430 41.250 40.800 0.033 0.000 1.084 216 D HN 0.014 nan 8.370 nan 0.000 0.495 217 V N 0.254 120.036 119.914 -0.220 0.000 2.720 217 V HA -0.195 3.925 4.120 -0.000 0.000 0.256 217 V C 1.820 177.675 176.094 -0.398 0.000 1.082 217 V CA 1.619 63.660 62.300 -0.433 0.000 1.101 217 V CB -0.664 30.677 31.823 -0.804 0.000 0.693 217 V HN 0.246 nan 8.190 nan 0.000 0.479 218 S N 0.224 115.795 115.700 -0.215 0.000 2.329 218 S HA -0.125 4.345 4.470 -0.000 0.000 0.215 218 S C 1.939 176.475 174.600 -0.107 0.000 1.031 218 S CA 1.170 59.308 58.200 -0.104 0.000 0.985 218 S CB -0.584 62.595 63.200 -0.035 0.000 0.917 218 S HN 0.503 nan 8.310 nan 0.000 0.441 219 K N 1.449 121.804 120.400 -0.075 0.000 2.097 219 K HA -0.186 4.133 4.320 -0.000 0.000 0.214 219 K C 2.177 178.565 176.600 -0.353 0.000 1.052 219 K CA 1.934 58.192 56.287 -0.049 0.000 0.932 219 K CB -1.206 31.370 32.500 0.127 0.000 0.716 219 K HN 0.476 nan 8.250 nan 0.000 0.455 220 G N 0.738 109.173 108.800 -0.609 0.000 2.414 220 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.215 220 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.215 220 G C 1.361 175.892 174.900 -0.615 0.000 1.188 220 G CA 1.031 45.409 45.100 -1.205 0.000 0.783 220 G HN 0.359 nan 8.290 nan 0.000 0.537 221 D N 0.530 120.776 120.400 -0.257 0.000 2.133 221 D HA -0.132 4.508 4.640 -0.000 0.000 0.192 221 D C 2.651 178.906 176.300 -0.074 0.000 1.001 221 D CA 0.900 54.886 54.000 -0.023 0.000 0.844 221 D CB -0.311 40.608 40.800 0.198 0.000 0.944 221 D HN 0.333 nan 8.370 nan 0.000 0.447 222 L N -1.053 120.131 121.223 -0.064 0.000 1.955 222 L HA -0.151 4.189 4.340 -0.000 0.000 0.213 222 L C 2.349 179.195 176.870 -0.039 0.000 1.072 222 L CA 1.684 56.515 54.840 -0.015 0.000 0.755 222 L CB -0.998 41.072 42.059 0.019 0.000 0.888 222 L HN 0.232 nan 8.230 nan 0.000 0.432 223 W N 1.169 122.341 121.300 -0.213 0.000 2.269 223 W HA -0.306 4.354 4.660 -0.001 0.000 0.336 223 W C 2.399 178.795 176.519 -0.205 0.000 1.333 223 W CA 2.530 59.771 57.345 -0.174 0.000 1.299 223 W CB -0.906 28.411 29.460 -0.238 0.000 1.126 223 W HN 0.188 nan 8.180 nan 0.000 0.474 224 G N 0.018 108.620 108.800 -0.330 0.000 2.446 224 G HA2 -0.287 3.672 3.960 -0.000 0.000 0.217 224 G HA3 -0.287 3.672 3.960 -0.000 0.000 0.217 224 G C 1.602 176.324 174.900 -0.296 0.000 1.168 224 G CA 1.374 46.020 45.100 -0.757 0.000 0.771 224 G HN 0.221 nan 8.290 nan 0.000 0.551 225 K N 0.325 120.665 120.400 -0.101 0.000 2.057 225 K HA -0.045 4.274 4.320 -0.000 0.000 0.206 225 K C 2.295 178.869 176.600 -0.043 0.000 1.050 225 K CA 1.093 57.418 56.287 0.064 0.000 0.935 225 K CB -0.306 32.248 32.500 0.089 0.000 0.715 225 K HN 0.245 nan 8.250 nan 0.000 0.439 226 E N 1.114 121.223 120.200 -0.151 0.000 2.273 226 E HA -0.164 4.186 4.350 -0.000 0.000 0.198 226 E C 1.120 177.559 176.600 -0.268 0.000 1.002 226 E CA 1.344 57.633 56.400 -0.184 0.000 0.828 226 E CB -0.041 29.548 29.700 -0.185 0.000 0.747 226 E HN 0.327 nan 8.360 nan 0.000 0.491 227 N N -2.362 116.111 118.700 -0.378 0.000 2.463 227 N HA 0.066 4.806 4.740 -0.000 0.000 0.183 227 N C 0.254 175.507 175.510 -0.429 0.000 1.064 227 N CA 0.214 52.991 53.050 -0.454 0.000 0.879 227 N CB 0.291 38.373 38.487 -0.675 0.000 1.148 227 N HN 0.086 nan 8.380 nan 0.000 0.451 228 Y N -0.141 120.071 120.300 -0.148 0.000 2.507 228 Y HA 0.372 4.921 4.550 -0.001 0.000 0.254 228 Y C 1.727 177.749 175.900 0.203 0.000 1.171 228 Y CA -0.143 57.977 58.100 0.033 0.000 1.238 228 Y CB 0.579 39.036 38.460 -0.005 0.000 1.148 228 Y HN -0.011 nan 8.280 nan 0.000 0.525 229 S N 0.064 115.871 115.700 0.177 0.000 2.362 229 S HA -0.153 4.316 4.470 -0.000 0.000 0.221 229 S C 1.779 176.451 174.600 0.120 0.000 1.032 229 S CA 1.486 59.777 58.200 0.152 0.000 0.973 229 S CB -0.240 63.011 63.200 0.085 0.000 0.849 229 S HN 0.677 nan 8.310 nan 0.000 0.465 230 D N -0.589 119.852 120.400 0.069 0.000 2.378 230 D HA -0.118 4.521 4.640 -0.000 0.000 0.227 230 D C 1.390 177.742 176.300 0.085 0.000 1.012 230 D CA 0.229 54.255 54.000 0.044 0.000 0.905 230 D CB -0.255 40.547 40.800 0.003 0.000 0.895 230 D HN 0.581 nan 8.370 nan 0.000 0.532 231 W N 1.576 122.838 121.300 -0.064 0.000 2.576 231 W HA 0.087 4.746 4.660 -0.000 0.000 0.275 231 W C 2.052 178.574 176.519 0.004 0.000 1.241 231 W CA 1.072 58.391 57.345 -0.043 0.000 1.328 231 W CB -0.067 29.369 29.460 -0.040 0.000 1.092 231 W HN -0.130 nan 8.180 nan 0.000 0.586 232 S N 1.258 117.015 115.700 0.094 0.000 2.423 232 S HA -0.272 4.197 4.470 -0.000 0.000 0.238 232 S C 1.384 175.830 174.600 -0.258 0.000 1.028 232 S CA 1.830 59.966 58.200 -0.107 0.000 1.000 232 S CB -0.442 62.783 63.200 0.042 0.000 0.797 232 S HN 0.466 nan 8.310 nan 0.000 0.487 233 N N 0.576 119.161 118.700 -0.192 0.000 2.638 233 N HA 0.101 4.841 4.740 -0.000 0.000 0.220 233 N C 1.534 176.925 175.510 -0.199 0.000 1.031 233 N CA 0.412 53.362 53.050 -0.166 0.000 1.062 233 N CB -0.458 37.978 38.487 -0.086 0.000 1.406 233 N HN 0.144 nan 8.380 nan 0.000 0.495 234 K N 1.629 121.936 120.400 -0.156 0.000 2.248 234 K HA -0.173 4.147 4.320 -0.000 0.000 0.208 234 K C -0.016 176.475 176.600 -0.180 0.000 1.044 234 K CA 1.021 57.230 56.287 -0.130 0.000 0.933 234 K CB -0.768 31.691 32.500 -0.069 0.000 0.723 234 K HN 0.194 nan 8.250 nan 0.000 0.475 235 L N 1.223 122.243 121.223 -0.338 0.000 2.462 235 L HA 0.162 4.501 4.340 -0.000 0.000 0.272 235 L C 0.378 177.123 176.870 -0.208 0.000 1.166 235 L CA -0.050 54.592 54.840 -0.331 0.000 0.880 235 L CB -0.294 41.415 42.059 -0.583 0.000 1.142 235 L HN 0.099 nan 8.230 nan 0.000 0.473 236 T N 0.405 114.882 114.554 -0.128 0.000 2.899 236 T HA 0.389 4.739 4.350 -0.000 0.000 0.295 236 T C -1.445 173.208 174.700 -0.078 0.000 1.033 236 T CA -1.568 60.481 62.100 -0.085 0.000 1.084 236 T CB 0.916 69.754 68.868 -0.050 0.000 0.979 236 T HN 0.578 nan 8.240 nan 0.000 0.532 237 P HA -0.189 nan 4.420 nan 0.000 0.221 237 P C 0.844 178.115 177.300 -0.048 0.000 1.149 237 P CA 1.438 64.506 63.100 -0.054 0.000 0.824 237 P CB -0.028 31.648 31.700 -0.040 0.000 0.763 238 N N -2.218 116.456 118.700 -0.043 0.000 2.210 238 N HA 0.035 4.775 4.740 -0.000 0.000 0.203 238 N C 1.064 176.552 175.510 -0.037 0.000 1.175 238 N CA 0.130 53.160 53.050 -0.034 0.000 0.894 238 N CB 0.545 39.020 38.487 -0.020 0.000 1.041 238 N HN 0.267 nan 8.380 nan 0.000 0.506 239 E N 0.811 120.981 120.200 -0.049 0.000 2.276 239 E HA 0.109 4.459 4.350 -0.000 0.000 0.193 239 E C 1.855 178.398 176.600 -0.094 0.000 0.983 239 E CA 0.055 56.422 56.400 -0.054 0.000 0.861 239 E CB 0.450 30.122 29.700 -0.046 0.000 0.817 239 E HN 0.126 nan 8.360 nan 0.000 0.485 240 L N 0.977 122.132 121.223 -0.113 0.000 2.017 240 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 240 L C 2.421 179.226 176.870 -0.108 0.000 1.073 240 L CA 1.339 56.095 54.840 -0.140 0.000 0.745 240 L CB -0.207 41.775 42.059 -0.128 0.000 0.894 240 L HN 0.188 nan 8.230 nan 0.000 0.432 241 A N -1.083 121.691 122.820 -0.078 0.000 1.969 241 A HA -0.220 4.099 4.320 -0.000 0.000 0.218 241 A C 1.936 179.487 177.584 -0.055 0.000 1.169 241 A CA 1.866 53.867 52.037 -0.060 0.000 0.635 241 A CB -0.436 18.537 19.000 -0.045 0.000 0.810 241 A HN 0.425 nan 8.150 nan 0.000 0.445 242 D N -0.818 119.549 120.400 -0.055 0.000 2.183 242 D HA -0.060 4.580 4.640 -0.000 0.000 0.205 242 D C 2.065 178.329 176.300 -0.059 0.000 0.962 242 D CA 1.133 55.106 54.000 -0.045 0.000 0.849 242 D CB -0.236 40.546 40.800 -0.029 0.000 0.978 242 D HN 0.154 nan 8.370 nan 0.000 0.488 243 V N 2.120 121.985 119.914 -0.081 0.000 2.282 243 V HA -0.210 3.909 4.120 -0.000 0.000 0.249 243 V C 0.513 176.548 176.094 -0.099 0.000 1.057 243 V CA 1.498 63.736 62.300 -0.102 0.000 1.032 243 V CB -0.395 31.340 31.823 -0.146 0.000 0.645 243 V HN 0.182 nan 8.190 nan 0.000 0.447 244 N N 1.223 119.866 118.700 -0.094 0.000 3.167 244 N HA 0.025 4.764 4.740 -0.000 0.000 0.318 244 N C -0.207 175.287 175.510 -0.027 0.000 1.268 244 N CA 0.720 53.727 53.050 -0.072 0.000 1.197 244 N CB 0.493 38.937 38.487 -0.071 0.000 1.464 244 N HN 0.666 nan 8.380 nan 0.000 0.555 245 D N -1.219 119.177 120.400 -0.007 0.000 2.680 245 D HA -0.032 4.607 4.640 -0.000 0.000 0.295 245 D C 1.263 177.613 176.300 0.084 0.000 1.097 245 D CA -0.206 53.806 54.000 0.020 0.000 0.952 245 D CB -0.039 40.758 40.800 -0.005 0.000 1.491 245 D HN 0.148 nan 8.370 nan 0.000 0.486 246 Y N 2.002 122.273 120.300 -0.048 0.000 2.263 246 Y HA 0.015 4.565 4.550 -0.000 0.000 0.292 246 Y C 1.536 177.502 175.900 0.110 0.000 1.130 246 Y CA 1.067 59.177 58.100 0.017 0.000 1.179 246 Y CB -0.133 38.279 38.460 -0.080 0.000 0.998 246 Y HN -0.036 nan 8.280 nan 0.000 0.532 247 M N 0.187 119.968 119.600 0.301 0.000 2.652 247 M HA 0.249 4.728 4.480 -0.000 0.000 0.226 247 M C 0.098 176.565 176.300 0.279 0.000 1.244 247 M CA 0.575 56.070 55.300 0.326 0.000 0.986 247 M CB -0.408 32.053 32.600 -0.231 0.000 1.666 247 M HN 0.050 nan 8.290 nan 0.000 0.460 248 R N 1.058 121.673 120.500 0.192 0.000 2.575 248 R HA 0.408 4.747 4.340 -0.000 0.000 0.281 248 R C 1.112 177.470 176.300 0.097 0.000 1.272 248 R CA 0.526 56.700 56.100 0.123 0.000 1.417 248 R CB 0.015 30.347 30.300 0.054 0.000 1.121 248 R HN 0.616 nan 8.270 nan 0.000 0.583 249 G N 2.216 111.092 108.800 0.127 0.000 2.763 249 G HA2 -0.376 3.583 3.960 -0.000 0.000 0.241 249 G HA3 -0.376 3.583 3.960 -0.000 0.000 0.241 249 G C 0.386 175.245 174.900 -0.068 0.000 1.015 249 G CA 0.982 46.113 45.100 0.051 0.000 0.724 249 G HN 0.709 nan 8.290 nan 0.000 0.618 250 G N -0.976 107.743 108.800 -0.135 0.000 2.605 250 G HA2 0.636 4.596 3.960 -0.000 0.000 0.304 250 G HA3 0.636 4.596 3.960 -0.000 0.000 0.304 250 G C -0.001 174.707 174.900 -0.320 0.000 1.333 250 G CA 0.124 45.007 45.100 -0.361 0.000 0.973 250 G HN 0.678 nan 8.290 nan 0.000 0.507 251 Y N -0.209 119.998 120.300 -0.155 0.000 2.444 251 Y HA 0.159 4.709 4.550 -0.000 0.000 0.252 251 Y C 2.059 177.837 175.900 -0.204 0.000 1.091 251 Y CA 0.355 58.244 58.100 -0.352 0.000 1.276 251 Y CB 0.040 38.200 38.460 -0.499 0.000 1.170 251 Y HN 0.366 nan 8.280 nan 0.000 0.517 252 T N -1.654 112.842 114.554 -0.096 0.000 3.308 252 T HA 0.389 4.739 4.350 -0.000 0.000 0.255 252 T C 1.403 176.103 174.700 -0.001 0.000 1.162 252 T CA 0.595 62.723 62.100 0.047 0.000 1.031 252 T CB 0.051 68.935 68.868 0.026 0.000 0.973 252 T HN 0.497 nan 8.240 nan 0.000 0.544 253 A N 1.139 123.939 122.820 -0.034 0.000 1.970 253 A HA 0.413 4.733 4.320 -0.000 0.000 0.204 253 A C 1.836 179.455 177.584 0.059 0.000 1.325 253 A CA 0.015 52.055 52.037 0.004 0.000 0.767 253 A CB -0.217 18.760 19.000 -0.037 0.000 0.949 253 A HN 0.417 nan 8.150 nan 0.000 0.481 254 I N 1.351 121.937 120.570 0.027 0.000 2.353 254 I HA -0.149 4.020 4.170 -0.000 0.000 0.248 254 I C 1.923 178.164 176.117 0.206 0.000 1.119 254 I CA 1.051 62.412 61.300 0.102 0.000 1.417 254 I CB -0.581 37.459 38.000 0.066 0.000 1.078 254 I HN 0.197 nan 8.210 nan 0.000 0.421 255 N N 1.180 119.966 118.700 0.143 0.000 2.062 255 N HA -0.156 4.583 4.740 -0.000 0.000 0.191 255 N C 1.674 177.279 175.510 0.158 0.000 1.042 255 N CA 1.522 54.682 53.050 0.184 0.000 0.845 255 N CB -0.842 37.741 38.487 0.161 0.000 1.024 255 N HN 0.389 nan 8.380 nan 0.000 0.424 256 N N -0.110 118.670 118.700 0.133 0.000 2.334 256 N HA -0.179 4.561 4.740 -0.000 0.000 0.187 256 N C 1.381 176.968 175.510 0.128 0.000 1.016 256 N CA 0.544 53.659 53.050 0.108 0.000 0.879 256 N CB -0.183 38.356 38.487 0.086 0.000 0.965 256 N HN 0.370 nan 8.380 nan 0.000 0.438 257 Y N 0.072 120.399 120.300 0.045 0.000 2.457 257 Y HA 0.057 4.607 4.550 -0.000 0.000 0.292 257 Y C 1.442 177.370 175.900 0.047 0.000 1.125 257 Y CA 0.756 58.881 58.100 0.041 0.000 1.254 257 Y CB 0.265 38.749 38.460 0.042 0.000 1.012 257 Y HN 0.037 nan 8.280 nan 0.000 0.555 258 L N -0.579 120.645 121.223 0.002 0.000 2.316 258 L HA -0.066 4.273 4.340 -0.000 0.000 0.207 258 L C 2.076 178.912 176.870 -0.057 0.000 1.070 258 L CA 0.417 55.225 54.840 -0.054 0.000 0.820 258 L CB -0.801 41.311 42.059 0.088 0.000 0.992 258 L HN 0.205 nan 8.230 nan 0.000 0.466 259 I N 0.917 121.481 120.570 -0.009 0.000 2.082 259 I HA -0.264 3.906 4.170 -0.000 0.000 0.221 259 I C 1.608 177.693 176.117 -0.054 0.000 1.010 259 I CA 1.376 62.663 61.300 -0.020 0.000 1.322 259 I CB -1.663 36.339 38.000 0.003 0.000 1.044 259 I HN 0.258 nan 8.210 nan 0.000 0.384 260 S N 2.094 117.763 115.700 -0.051 0.000 3.911 260 S HA -0.024 4.446 4.470 -0.000 0.000 0.188 260 S C 0.543 175.073 174.600 -0.116 0.000 1.147 260 S CA -0.094 58.069 58.200 -0.063 0.000 0.961 260 S CB -1.857 61.322 63.200 -0.036 0.000 1.582 260 S HN 0.501 nan 8.310 nan 0.000 0.458 261 N N 0.981 119.602 118.700 -0.133 0.000 2.845 261 N HA -0.204 4.536 4.740 -0.000 0.000 0.310 261 N C 1.186 176.534 175.510 -0.269 0.000 1.148 261 N CA 0.203 53.147 53.050 -0.177 0.000 0.752 261 N CB -0.467 37.957 38.487 -0.105 0.000 1.017 261 N HN 0.695 nan 8.380 nan 0.000 0.583 262 G N 3.634 112.094 108.800 -0.567 0.000 2.417 262 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.212 262 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.212 262 G C -0.864 173.860 174.900 -0.293 0.000 1.187 262 G CA 0.451 45.083 45.100 -0.779 0.000 0.804 262 G HN 0.473 nan 8.290 nan 0.000 0.534 263 P HA -0.174 nan 4.420 nan 0.000 0.214 263 P C 1.267 178.577 177.300 0.018 0.000 0.989 263 P CA 1.914 65.016 63.100 0.002 0.000 1.008 263 P CB -0.325 31.371 31.700 -0.005 0.000 0.747 264 L N -4.474 116.743 121.223 -0.011 0.000 3.108 264 L HA 0.568 4.908 4.340 -0.000 0.000 0.251 264 L C 0.758 177.623 176.870 -0.009 0.000 1.315 264 L CA 0.264 55.104 54.840 0.000 0.000 1.048 264 L CB -0.319 41.741 42.059 0.002 0.000 1.432 264 L HN -0.048 nan 8.230 nan 0.000 0.543 265 N N -0.516 118.176 118.700 -0.014 0.000 2.160 265 N HA 0.019 4.758 4.740 -0.000 0.000 0.242 265 N C 0.362 175.875 175.510 0.005 0.000 1.204 265 N CA 0.092 53.134 53.050 -0.013 0.000 0.813 265 N CB 0.467 38.934 38.487 -0.034 0.000 1.384 265 N HN 0.292 nan 8.380 nan 0.000 0.476 266 N N 0.087 118.798 118.700 0.017 0.000 2.466 266 N HA 0.296 5.035 4.740 -0.000 0.000 0.272 266 N C -2.619 172.962 175.510 0.119 0.000 1.455 266 N CA -0.994 52.092 53.050 0.059 0.000 0.875 266 N CB 0.918 39.439 38.487 0.057 0.000 1.372 266 N HN 0.113 nan 8.380 nan 0.000 0.492 267 P HA 0.018 nan 4.420 nan 0.000 0.264 267 P C -0.370 177.007 177.300 0.130 0.000 1.179 267 P CA 0.523 63.697 63.100 0.125 0.000 0.763 267 P CB 0.411 32.157 31.700 0.076 0.000 0.806 268 N N 2.705 121.492 118.700 0.144 0.000 2.620 268 N HA 0.135 4.875 4.740 -0.000 0.000 0.277 268 N C -2.033 173.477 175.510 0.000 0.000 1.726 268 N CA -1.427 51.658 53.050 0.058 0.000 0.840 268 N CB 0.083 38.588 38.487 0.029 0.000 1.379 268 N HN 0.074 nan 8.380 nan 0.000 0.506 269 P HA -0.249 nan 4.420 nan 0.000 0.221 269 P C 1.070 178.360 177.300 -0.016 0.000 1.145 269 P CA 1.153 64.261 63.100 0.014 0.000 0.812 269 P CB 0.274 31.985 31.700 0.018 0.000 0.755 270 E N -0.539 119.634 120.200 -0.044 0.000 2.268 270 E HA -0.140 4.210 4.350 -0.000 0.000 0.195 270 E C 1.397 177.937 176.600 -0.100 0.000 0.995 270 E CA 0.898 57.258 56.400 -0.066 0.000 0.836 270 E CB -0.179 29.477 29.700 -0.074 0.000 0.763 270 E HN 0.298 nan 8.360 nan 0.000 0.491 271 L N -0.364 120.771 121.223 -0.147 0.000 2.766 271 L HA 0.110 4.449 4.340 -0.000 0.000 0.241 271 L C 1.629 178.475 176.870 -0.039 0.000 1.080 271 L CA -0.017 54.722 54.840 -0.168 0.000 0.909 271 L CB 0.153 41.946 42.059 -0.442 0.000 1.277 271 L HN -0.092 nan 8.230 nan 0.000 0.510 272 D N 0.344 120.752 120.400 0.014 0.000 2.092 272 D HA -0.227 4.413 4.640 -0.000 0.000 0.193 272 D C 2.275 178.612 176.300 0.062 0.000 0.994 272 D CA 1.983 56.033 54.000 0.084 0.000 0.828 272 D CB -0.113 40.744 40.800 0.095 0.000 0.963 272 D HN 0.133 nan 8.370 nan 0.000 0.450 273 S N -0.426 115.295 115.700 0.035 0.000 2.399 273 S HA -0.165 4.305 4.470 -0.000 0.000 0.231 273 S C 1.795 176.410 174.600 0.024 0.000 1.022 273 S CA 1.094 59.311 58.200 0.028 0.000 0.983 273 S CB 0.011 63.219 63.200 0.014 0.000 0.803 273 S HN -0.086 nan 8.310 nan 0.000 0.480 274 K N 1.144 121.552 120.400 0.012 0.000 1.991 274 K HA 0.048 4.368 4.320 -0.000 0.000 0.212 274 K C 2.092 178.718 176.600 0.043 0.000 1.049 274 K CA 1.578 57.871 56.287 0.010 0.000 0.932 274 K CB -1.235 31.259 32.500 -0.010 0.000 0.717 274 K HN 0.251 nan 8.250 nan 0.000 0.441 275 V N 2.062 122.023 119.914 0.079 0.000 2.233 275 V HA -0.294 3.826 4.120 -0.000 0.000 0.247 275 V C 2.167 178.352 176.094 0.151 0.000 1.050 275 V CA 2.104 64.490 62.300 0.143 0.000 1.010 275 V CB -0.604 31.293 31.823 0.123 0.000 0.637 275 V HN 0.551 nan 8.190 nan 0.000 0.444 276 N N -0.047 118.725 118.700 0.121 0.000 2.405 276 N HA -0.217 4.522 4.740 -0.000 0.000 0.189 276 N C 1.372 176.948 175.510 0.112 0.000 1.021 276 N CA 1.767 54.890 53.050 0.122 0.000 0.891 276 N CB -0.091 38.451 38.487 0.092 0.000 0.955 276 N HN 0.694 nan 8.380 nan 0.000 0.443 277 N N -0.051 118.704 118.700 0.093 0.000 2.513 277 N HA 0.061 4.801 4.740 -0.000 0.000 0.196 277 N C 1.887 177.446 175.510 0.082 0.000 1.041 277 N CA 0.405 53.499 53.050 0.074 0.000 0.916 277 N CB -0.135 38.373 38.487 0.035 0.000 1.172 277 N HN 0.124 nan 8.380 nan 0.000 0.444 278 I N 2.162 122.761 120.570 0.048 0.000 2.290 278 I HA -0.325 3.845 4.170 -0.000 0.000 0.253 278 I C 2.574 178.735 176.117 0.074 0.000 1.112 278 I CA 1.448 62.729 61.300 -0.031 0.000 1.377 278 I CB -0.436 37.440 38.000 -0.205 0.000 1.060 278 I HN 0.306 nan 8.210 nan 0.000 0.428 279 E N 1.700 122.068 120.200 0.281 0.000 2.072 279 E HA -0.256 4.093 4.350 -0.000 0.000 0.191 279 E C 1.847 178.600 176.600 0.254 0.000 0.985 279 E CA 1.807 58.446 56.400 0.398 0.000 0.801 279 E CB -0.134 29.809 29.700 0.405 0.000 0.750 279 E HN 0.523 nan 8.360 nan 0.000 0.452 280 N N -0.733 118.079 118.700 0.186 0.000 2.463 280 N HA 0.040 4.780 4.740 -0.000 0.000 0.181 280 N C 1.364 176.981 175.510 0.178 0.000 1.078 280 N CA 0.595 53.738 53.050 0.156 0.000 0.902 280 N CB 0.085 38.639 38.487 0.113 0.000 0.970 280 N HN 0.310 nan 8.380 nan 0.000 0.451 281 A N 0.679 123.608 122.820 0.182 0.000 1.883 281 A HA -0.128 4.191 4.320 -0.000 0.000 0.217 281 A C 1.967 179.824 177.584 0.455 0.000 1.186 281 A CA 1.082 53.279 52.037 0.266 0.000 0.624 281 A CB -0.686 18.423 19.000 0.182 0.000 0.822 281 A HN 0.245 nan 8.150 nan 0.000 0.444 282 L N -1.081 120.321 121.223 0.299 0.000 2.093 282 L HA -0.110 4.230 4.340 -0.000 0.000 0.208 282 L C 2.496 179.483 176.870 0.195 0.000 1.085 282 L CA 1.697 56.663 54.840 0.210 0.000 0.755 282 L CB -0.430 41.735 42.059 0.176 0.000 0.904 282 L HN 0.373 nan 8.230 nan 0.000 0.435 283 K N 0.184 120.702 120.400 0.197 0.000 2.555 283 K HA -0.097 4.223 4.320 -0.000 0.000 0.193 283 K C 1.998 178.699 176.600 0.169 0.000 1.032 283 K CA 0.086 56.466 56.287 0.155 0.000 1.004 283 K CB 0.209 32.787 32.500 0.129 0.000 0.804 283 K HN 0.122 nan 8.250 nan 0.000 0.496 284 L N 0.667 122.044 121.223 0.257 0.000 1.994 284 L HA -0.075 4.264 4.340 -0.000 0.000 0.208 284 L C 0.223 177.223 176.870 0.217 0.000 1.071 284 L CA 1.835 56.842 54.840 0.279 0.000 0.745 284 L CB -0.371 41.966 42.059 0.464 0.000 0.892 284 L HN 0.023 nan 8.230 nan 0.000 0.431 285 T N 2.155 116.821 114.554 0.187 0.000 2.963 285 T HA 0.415 4.765 4.350 -0.000 0.000 0.328 285 T C -2.435 172.276 174.700 0.019 0.000 1.048 285 T CA -1.038 61.069 62.100 0.011 0.000 1.033 285 T CB 1.960 70.686 68.868 -0.237 0.000 1.010 285 T HN 0.059 nan 8.240 nan 0.000 0.469 286 P HA 0.374 nan 4.420 nan 0.000 0.279 286 P C -0.005 177.366 177.300 0.119 0.000 1.276 286 P CA -0.953 62.201 63.100 0.089 0.000 0.801 286 P CB 0.553 32.297 31.700 0.072 0.000 1.127 287 I N 2.421 123.083 120.570 0.155 0.000 2.752 287 I HA -0.027 4.143 4.170 -0.000 0.000 0.286 287 I C -1.187 175.045 176.117 0.192 0.000 1.180 287 I CA -1.092 60.342 61.300 0.223 0.000 1.404 287 I CB -0.209 37.910 38.000 0.198 0.000 1.389 287 I HN 0.302 nan 8.210 nan 0.000 0.549 288 P HA -0.023 nan 4.420 nan 0.000 0.242 288 P C -0.367 177.057 177.300 0.207 0.000 1.197 288 P CA 0.552 63.758 63.100 0.178 0.000 0.765 288 P CB 0.443 32.228 31.700 0.141 0.000 0.936 289 S N -1.632 114.208 115.700 0.234 0.000 2.597 289 S HA 0.196 4.666 4.470 -0.000 0.000 0.274 289 S C -0.820 173.823 174.600 0.071 0.000 1.132 289 S CA -1.097 57.187 58.200 0.139 0.000 0.835 289 S CB -0.162 63.123 63.200 0.142 0.000 1.092 289 S HN -0.162 nan 8.310 nan 0.000 0.457 290 N N 1.853 120.560 118.700 0.013 0.000 2.332 290 N HA 0.090 4.830 4.740 -0.000 0.000 0.274 290 N C -0.864 174.586 175.510 -0.101 0.000 1.351 290 N CA 0.285 53.316 53.050 -0.031 0.000 0.875 290 N CB -0.233 38.231 38.487 -0.038 0.000 1.140 290 N HN 0.605 nan 8.380 nan 0.000 0.489 291 L N 4.388 125.553 121.223 -0.096 0.000 2.381 291 L HA 0.450 4.789 4.340 -0.000 0.000 0.274 291 L C -0.821 175.950 176.870 -0.164 0.000 0.988 291 L CA -0.658 54.073 54.840 -0.182 0.000 0.824 291 L CB 1.537 43.503 42.059 -0.156 0.000 1.263 291 L HN 0.233 nan 8.230 nan 0.000 0.410 292 I N 5.664 126.102 120.570 -0.220 0.000 2.474 292 I HA 0.396 4.566 4.170 -0.000 0.000 0.287 292 I C 0.469 176.444 176.117 -0.236 0.000 1.048 292 I CA -0.212 60.938 61.300 -0.251 0.000 1.383 292 I CB 1.468 39.287 38.000 -0.303 0.000 1.412 292 I HN 0.396 nan 8.210 nan 0.000 0.531 293 V N 4.400 124.125 119.914 -0.315 0.000 3.130 293 V HA 0.612 4.732 4.120 -0.000 0.000 0.310 293 V C -1.554 174.298 176.094 -0.402 0.000 1.158 293 V CA -0.927 61.249 62.300 -0.207 0.000 1.029 293 V CB 2.175 33.960 31.823 -0.064 0.000 1.057 293 V HN 0.491 nan 8.190 nan 0.000 0.436 294 Y N 0.754 121.018 120.300 -0.059 0.000 2.350 294 Y HA 0.758 5.308 4.550 -0.001 0.000 0.338 294 Y C 0.188 176.000 175.900 -0.147 0.000 0.961 294 Y CA -0.537 57.509 58.100 -0.090 0.000 1.100 294 Y CB 1.993 40.431 38.460 -0.036 0.000 1.179 294 Y HN 0.774 nan 8.280 nan 0.000 0.454 295 R N 3.420 123.858 120.500 -0.103 0.000 2.445 295 R HA 0.524 4.863 4.340 -0.000 0.000 0.308 295 R C -0.863 175.286 176.300 -0.251 0.000 0.961 295 R CA -0.770 55.204 56.100 -0.210 0.000 0.862 295 R CB 0.935 31.078 30.300 -0.263 0.000 1.144 295 R HN 0.723 nan 8.270 nan 0.000 0.447 296 R N 2.176 122.411 120.500 -0.442 0.000 2.229 296 R HA 0.217 4.557 4.340 -0.000 0.000 0.328 296 R C -0.639 175.505 176.300 -0.259 0.000 1.009 296 R CA -0.234 55.609 56.100 -0.429 0.000 0.864 296 R CB 1.701 31.490 30.300 -0.851 0.000 1.085 296 R HN 0.800 nan 8.270 nan 0.000 0.453 297 S N 1.045 116.696 115.700 -0.081 0.000 2.607 297 S HA 0.716 5.186 4.470 -0.000 0.000 0.303 297 S C 0.139 174.818 174.600 0.132 0.000 1.086 297 S CA -0.821 57.405 58.200 0.042 0.000 0.995 297 S CB 2.264 65.563 63.200 0.165 0.000 1.084 297 S HN 0.588 nan 8.310 nan 0.000 0.507 298 G N 0.470 109.352 108.800 0.136 0.000 2.521 298 G HA2 0.576 4.536 3.960 -0.000 0.000 0.323 298 G HA3 0.576 4.536 3.960 -0.000 0.000 0.323 298 G C -2.075 172.923 174.900 0.162 0.000 1.211 298 G CA -2.137 43.052 45.100 0.148 0.000 0.979 298 G HN 0.525 nan 8.290 nan 0.000 0.490 299 P HA -0.147 nan 4.420 nan 0.000 0.216 299 P C 1.675 178.997 177.300 0.037 0.000 1.153 299 P CA 1.069 64.126 63.100 -0.072 0.000 0.858 299 P CB 0.241 31.595 31.700 -0.577 0.000 0.789 300 Q N 0.473 120.265 119.800 -0.014 0.000 2.012 300 Q HA -0.233 4.106 4.340 -0.000 0.000 0.211 300 Q C 2.041 178.003 176.000 -0.064 0.000 1.009 300 Q CA 1.987 57.779 55.803 -0.019 0.000 0.866 300 Q CB -1.282 27.441 28.738 -0.026 0.000 0.945 300 Q HN 0.388 nan 8.270 nan 0.000 0.414 301 E N -1.264 118.852 120.200 -0.140 0.000 2.401 301 E HA -0.190 4.160 4.350 -0.000 0.000 0.204 301 E C 0.040 176.088 176.600 -0.921 0.000 1.036 301 E CA 0.742 56.845 56.400 -0.495 0.000 0.856 301 E CB -0.108 29.320 29.700 -0.453 0.000 0.770 301 E HN 0.294 nan 8.360 nan 0.000 0.527 302 F N -0.743 119.203 119.950 -0.007 0.000 2.835 302 F HA 0.325 4.852 4.527 -0.000 0.000 0.342 302 F C 0.953 176.963 175.800 0.351 0.000 1.202 302 F CA -0.179 57.841 58.000 0.034 0.000 1.240 302 F CB 1.137 40.100 39.000 -0.061 0.000 1.005 302 F HN -0.077 nan 8.300 nan 0.000 0.507 303 G N 1.625 110.594 108.800 0.281 0.000 2.338 303 G HA2 -0.269 3.690 3.960 -0.000 0.000 0.296 303 G HA3 -0.269 3.690 3.960 -0.000 0.000 0.296 303 G C -0.366 174.656 174.900 0.204 0.000 1.040 303 G CA 0.430 45.662 45.100 0.220 0.000 1.004 303 G HN 0.397 nan 8.290 nan 0.000 0.509 304 L N -1.320 119.995 121.223 0.154 0.000 2.301 304 L HA 0.840 5.180 4.340 -0.000 0.000 0.249 304 L C 0.705 177.537 176.870 -0.062 0.000 1.069 304 L CA -0.703 54.177 54.840 0.067 0.000 0.865 304 L CB 2.118 44.247 42.059 0.117 0.000 1.467 304 L HN 0.335 nan 8.230 nan 0.000 0.419 305 T N -2.411 112.067 114.554 -0.127 0.000 2.940 305 T HA 0.344 4.693 4.350 -0.000 0.000 0.288 305 T C 0.518 175.013 174.700 -0.341 0.000 1.045 305 T CA -0.694 61.301 62.100 -0.175 0.000 1.018 305 T CB 1.563 70.378 68.868 -0.088 0.000 1.151 305 T HN 0.412 nan 8.240 nan 0.000 0.529 306 L N 0.507 121.566 121.223 -0.273 0.000 2.189 306 L HA 0.011 4.351 4.340 -0.000 0.000 0.214 306 L C 2.315 179.105 176.870 -0.134 0.000 1.097 306 L CA 2.010 56.698 54.840 -0.254 0.000 0.764 306 L CB -0.839 41.161 42.059 -0.098 0.000 0.900 306 L HN 0.978 nan 8.230 nan 0.000 0.436 307 T N -1.903 112.593 114.554 -0.097 0.000 2.990 307 T HA 0.161 4.510 4.350 -0.000 0.000 0.250 307 T C 0.816 175.505 174.700 -0.017 0.000 1.041 307 T CA 0.156 62.236 62.100 -0.032 0.000 1.010 307 T CB 0.031 68.885 68.868 -0.023 0.000 1.003 307 T HN 0.264 nan 8.240 nan 0.000 0.499 308 S N 3.548 119.227 115.700 -0.036 0.000 2.573 308 S HA 0.028 4.498 4.470 -0.000 0.000 0.297 308 S C -1.382 173.241 174.600 0.038 0.000 1.280 308 S CA -0.652 57.552 58.200 0.007 0.000 1.061 308 S CB 0.918 64.128 63.200 0.017 0.000 0.812 308 S HN 0.382 nan 8.310 nan 0.000 0.500 309 P HA -0.008 nan 4.420 nan 0.000 0.229 309 P C 0.149 177.470 177.300 0.034 0.000 1.160 309 P CA 0.692 63.809 63.100 0.029 0.000 0.777 309 P CB 0.092 31.808 31.700 0.027 0.000 0.814 310 E N -2.023 118.222 120.200 0.075 0.000 2.476 310 E HA -0.034 4.316 4.350 -0.000 0.000 0.191 310 E C 1.105 177.762 176.600 0.095 0.000 1.064 310 E CA 0.075 56.547 56.400 0.120 0.000 0.866 310 E CB -0.483 29.322 29.700 0.175 0.000 0.952 310 E HN 0.271 nan 8.360 nan 0.000 0.492 311 Y N 1.003 121.163 120.300 -0.234 0.000 2.507 311 Y HA 0.095 4.645 4.550 -0.000 0.000 0.263 311 Y C 0.516 175.831 175.900 -0.974 0.000 1.093 311 Y CA -0.147 57.587 58.100 -0.610 0.000 1.285 311 Y CB 0.647 38.918 38.460 -0.315 0.000 1.115 311 Y HN -0.112 nan 8.280 nan 0.000 0.533 312 D N 0.944 121.083 120.400 -0.435 0.000 2.479 312 D HA -0.099 4.541 4.640 -0.000 0.000 0.253 312 D C 0.178 176.299 176.300 -0.298 0.000 1.278 312 D CA 0.278 54.062 54.000 -0.359 0.000 1.145 312 D CB -0.682 40.041 40.800 -0.129 0.000 1.118 312 D HN 0.167 nan 8.370 nan 0.000 0.513 313 F N 1.484 121.324 119.950 -0.184 0.000 2.802 313 F HA 0.041 4.568 4.527 -0.000 0.000 0.300 313 F C 1.697 177.419 175.800 -0.130 0.000 1.168 313 F CA -0.048 57.848 58.000 -0.173 0.000 1.433 313 F CB -0.755 38.080 39.000 -0.276 0.000 1.115 313 F HN 0.243 nan 8.300 nan 0.000 0.582 314 N N 0.484 119.192 118.700 0.014 0.000 2.635 314 N HA -0.101 4.639 4.740 -0.000 0.000 0.191 314 N C -0.091 175.432 175.510 0.020 0.000 1.155 314 N CA 0.794 53.846 53.050 0.004 0.000 0.927 314 N CB -0.161 38.315 38.487 -0.019 0.000 0.976 314 N HN 0.219 nan 8.380 nan 0.000 0.448 315 K N 0.123 120.549 120.400 0.042 0.000 2.358 315 K HA 0.309 4.628 4.320 -0.000 0.000 0.260 315 K C 0.437 177.084 176.600 0.078 0.000 0.956 315 K CA -0.432 55.883 56.287 0.047 0.000 0.834 315 K CB 1.967 34.490 32.500 0.039 0.000 1.102 315 K HN -0.120 nan 8.250 nan 0.000 0.431 316 I N 2.434 123.037 120.570 0.056 0.000 2.315 316 I HA -0.248 3.922 4.170 -0.000 0.000 0.248 316 I C 1.206 177.365 176.117 0.070 0.000 1.117 316 I CA 1.496 62.828 61.300 0.053 0.000 1.404 316 I CB -0.125 37.892 38.000 0.028 0.000 1.071 316 I HN 0.711 nan 8.210 nan 0.000 0.419 317 E N 1.179 121.419 120.200 0.066 0.000 2.136 317 E HA -0.257 4.093 4.350 -0.000 0.000 0.202 317 E C 1.815 178.484 176.600 0.114 0.000 1.019 317 E CA 1.499 57.943 56.400 0.073 0.000 0.819 317 E CB -0.427 29.308 29.700 0.059 0.000 0.739 317 E HN 0.463 nan 8.360 nan 0.000 0.458 318 N N 0.354 119.147 118.700 0.155 0.000 2.166 318 N HA -0.109 4.631 4.740 -0.000 0.000 0.186 318 N C 1.880 177.590 175.510 0.334 0.000 1.019 318 N CA 1.089 54.294 53.050 0.257 0.000 0.856 318 N CB -0.116 38.536 38.487 0.275 0.000 0.993 318 N HN 0.254 nan 8.380 nan 0.000 0.426 319 I N 1.536 122.234 120.570 0.215 0.000 2.110 319 I HA -0.240 3.930 4.170 -0.000 0.000 0.236 319 I C 1.718 177.911 176.117 0.126 0.000 1.068 319 I CA 1.139 62.481 61.300 0.069 0.000 1.333 319 I CB -0.419 37.546 38.000 -0.057 0.000 1.054 319 I HN -0.056 nan 8.210 nan 0.000 0.402 320 D N 1.387 121.841 120.400 0.090 0.000 2.149 320 D HA -0.232 4.408 4.640 -0.000 0.000 0.194 320 D C 2.205 178.560 176.300 0.093 0.000 1.001 320 D CA 1.867 55.910 54.000 0.072 0.000 0.849 320 D CB -0.322 40.506 40.800 0.047 0.000 0.939 320 D HN 0.418 nan 8.370 nan 0.000 0.449 321 A N 0.342 123.237 122.820 0.125 0.000 1.902 321 A HA -0.170 4.149 4.320 -0.000 0.000 0.217 321 A C 2.157 179.835 177.584 0.157 0.000 1.181 321 A CA 1.146 53.255 52.037 0.120 0.000 0.623 321 A CB -1.036 18.050 19.000 0.143 0.000 0.818 321 A HN 0.262 nan 8.150 nan 0.000 0.443 322 F N 0.786 120.819 119.950 0.138 0.000 2.134 322 F HA -0.161 4.366 4.527 -0.001 0.000 0.299 322 F C 2.235 178.160 175.800 0.210 0.000 1.097 322 F CA 2.130 60.268 58.000 0.230 0.000 1.264 322 F CB -0.063 39.014 39.000 0.128 0.000 1.001 322 F HN 0.106 nan 8.300 nan 0.000 0.479 323 K N -0.075 120.467 120.400 0.236 0.000 2.026 323 K HA -0.210 4.110 4.320 -0.000 0.000 0.208 323 K C 2.117 178.728 176.600 0.018 0.000 1.048 323 K CA 1.485 57.856 56.287 0.139 0.000 0.929 323 K CB -0.479 32.086 32.500 0.107 0.000 0.713 323 K HN 0.303 nan 8.250 nan 0.000 0.439 324 E N 1.494 121.682 120.200 -0.019 0.000 2.058 324 E HA -0.225 4.125 4.350 -0.000 0.000 0.194 324 E C 2.010 178.506 176.600 -0.174 0.000 0.997 324 E CA 1.397 57.752 56.400 -0.076 0.000 0.801 324 E CB 0.060 29.719 29.700 -0.069 0.000 0.746 324 E HN 0.193 nan 8.360 nan 0.000 0.450 325 K N -1.103 119.125 120.400 -0.288 0.000 2.097 325 K HA -0.155 4.165 4.320 -0.000 0.000 0.205 325 K C 1.661 177.785 176.600 -0.793 0.000 1.050 325 K CA 1.627 57.549 56.287 -0.609 0.000 0.938 325 K CB -0.051 31.986 32.500 -0.772 0.000 0.718 325 K HN 0.110 nan 8.250 nan 0.000 0.442 326 W N 0.560 121.680 121.300 -0.300 0.000 2.871 326 W HA 0.255 4.915 4.660 -0.000 0.000 0.267 326 W C 0.014 176.475 176.519 -0.095 0.000 1.180 326 W CA -0.684 56.519 57.345 -0.238 0.000 1.463 326 W CB 0.469 29.643 29.460 -0.477 0.000 0.966 326 W HN -0.082 nan 8.180 nan 0.000 0.605 327 E N 0.526 120.810 120.200 0.141 0.000 2.366 327 E HA 0.323 4.672 4.350 -0.000 0.000 0.266 327 E C 1.089 177.745 176.600 0.095 0.000 1.015 327 E CA 1.249 57.726 56.400 0.129 0.000 0.906 327 E CB 0.399 30.166 29.700 0.112 0.000 0.979 327 E HN 0.280 nan 8.360 nan 0.000 0.443 328 G N 3.799 112.661 108.800 0.103 0.000 2.284 328 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.216 328 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.216 328 G C 0.168 175.111 174.900 0.071 0.000 1.009 328 G CA 0.004 45.151 45.100 0.078 0.000 0.625 328 G HN 0.470 nan 8.290 nan 0.000 0.501 329 K N 0.151 120.608 120.400 0.095 0.000 2.107 329 K HA 0.654 4.974 4.320 -0.000 0.000 0.251 329 K C -0.010 176.682 176.600 0.153 0.000 1.012 329 K CA 0.097 56.444 56.287 0.100 0.000 0.920 329 K CB 2.119 34.668 32.500 0.081 0.000 1.033 329 K HN 0.644 nan 8.250 nan 0.000 0.478 330 V N 3.624 123.620 119.914 0.136 0.000 2.444 330 V HA 0.488 4.607 4.120 -0.000 0.000 0.294 330 V C -1.223 174.983 176.094 0.185 0.000 1.022 330 V CA -0.892 61.499 62.300 0.152 0.000 0.850 330 V CB 1.165 33.038 31.823 0.082 0.000 0.992 330 V HN 0.624 nan 8.190 nan 0.000 0.426 331 I N 6.083 126.814 120.570 0.269 0.000 2.437 331 I HA 0.697 4.867 4.170 -0.000 0.000 0.298 331 I C 0.314 176.550 176.117 0.200 0.000 0.984 331 I CA 0.577 62.030 61.300 0.255 0.000 1.214 331 I CB 2.127 40.314 38.000 0.311 0.000 1.365 331 I HN 0.764 nan 8.210 nan 0.000 0.469 332 T N 6.850 121.454 114.554 0.082 0.000 2.859 332 T HA 0.417 4.766 4.350 -0.000 0.000 0.281 332 T C -1.073 173.626 174.700 -0.003 0.000 1.005 332 T CA -0.035 62.089 62.100 0.040 0.000 1.025 332 T CB 0.536 69.391 68.868 -0.022 0.000 0.977 332 T HN 0.308 nan 8.240 nan 0.000 0.458 333 Y N 3.144 123.429 120.300 -0.024 0.000 2.356 333 Y HA 0.294 4.844 4.550 -0.001 0.000 0.334 333 Y C -1.707 174.175 175.900 -0.030 0.000 0.958 333 Y CA -2.255 55.852 58.100 0.011 0.000 1.196 333 Y CB 1.858 40.392 38.460 0.124 0.000 1.137 333 Y HN 0.525 nan 8.280 nan 0.000 0.485 334 P HA -0.113 nan 4.420 nan 0.000 0.217 334 P C -0.485 176.879 177.300 0.107 0.000 1.151 334 P CA 0.996 64.124 63.100 0.046 0.000 0.828 334 P CB 0.141 31.845 31.700 0.007 0.000 0.788 335 N N 0.677 119.481 118.700 0.174 0.000 2.508 335 N HA -0.023 4.717 4.740 -0.000 0.000 0.264 335 N C -0.213 175.415 175.510 0.197 0.000 1.216 335 N CA -0.366 52.816 53.050 0.220 0.000 0.943 335 N CB -0.300 38.366 38.487 0.298 0.000 1.113 335 N HN -0.062 nan 8.380 nan 0.000 0.447 336 F N 0.152 120.320 119.950 0.364 0.000 2.635 336 F HA -0.015 4.512 4.527 -0.000 0.000 0.379 336 F C 1.068 177.019 175.800 0.252 0.000 1.094 336 F CA -0.095 58.084 58.000 0.299 0.000 1.300 336 F CB 0.084 39.258 39.000 0.289 0.000 1.035 336 F HN 0.464 nan 8.300 nan 0.000 0.581 337 I N 2.411 123.154 120.570 0.288 0.000 2.436 337 I HA 0.374 4.544 4.170 -0.000 0.000 0.289 337 I C -0.657 175.496 176.117 0.060 0.000 1.010 337 I CA -0.075 61.305 61.300 0.135 0.000 1.098 337 I CB 1.834 39.844 38.000 0.017 0.000 1.266 337 I HN 0.316 nan 8.210 nan 0.000 0.434 338 S N 5.723 121.442 115.700 0.032 0.000 2.528 338 S HA 0.634 5.104 4.470 -0.000 0.000 0.303 338 S C -0.223 174.357 174.600 -0.033 0.000 1.123 338 S CA -0.215 57.998 58.200 0.021 0.000 1.138 338 S CB -0.280 62.990 63.200 0.116 0.000 0.984 338 S HN 0.858 nan 8.310 nan 0.000 0.474 339 T N 0.996 115.532 114.554 -0.029 0.000 2.942 339 T HA 0.730 5.080 4.350 -0.000 0.000 0.289 339 T C -0.099 174.632 174.700 0.053 0.000 1.044 339 T CA -0.784 61.298 62.100 -0.030 0.000 1.023 339 T CB 1.693 70.530 68.868 -0.052 0.000 1.123 339 T HN 0.372 nan 8.240 nan 0.000 0.512 340 S N -0.189 115.571 115.700 0.099 0.000 2.578 340 S HA 0.445 4.915 4.470 -0.000 0.000 0.301 340 S C 1.064 175.817 174.600 0.255 0.000 1.091 340 S CA -1.016 57.306 58.200 0.203 0.000 1.032 340 S CB 0.274 63.620 63.200 0.243 0.000 1.064 340 S HN 0.735 nan 8.310 nan 0.000 0.508 341 I N 1.927 122.679 120.570 0.303 0.000 3.291 341 I HA 0.386 4.555 4.170 -0.000 0.000 0.279 341 I C 0.975 177.250 176.117 0.263 0.000 1.294 341 I CA 0.063 61.532 61.300 0.281 0.000 1.428 341 I CB -0.751 37.374 38.000 0.208 0.000 1.070 341 I HN 0.481 nan 8.210 nan 0.000 0.478 342 G N 0.241 109.145 108.800 0.174 0.000 2.566 342 G HA2 0.441 4.401 3.960 -0.000 0.000 0.311 342 G HA3 0.441 4.401 3.960 -0.000 0.000 0.311 342 G C 0.562 175.332 174.900 -0.215 0.000 1.322 342 G CA 0.028 45.109 45.100 -0.031 0.000 0.969 342 G HN 0.132 nan 8.290 nan 0.000 0.490 343 S N 0.538 115.804 115.700 -0.723 0.000 2.469 343 S HA -0.096 4.374 4.470 -0.000 0.000 0.238 343 S C 1.393 175.762 174.600 -0.384 0.000 0.998 343 S CA 0.662 58.301 58.200 -0.935 0.000 0.957 343 S CB -0.892 61.446 63.200 -1.435 0.000 0.764 343 S HN 1.426 nan 8.310 nan 0.000 0.514 344 V N 1.091 120.844 119.914 -0.268 0.000 2.788 344 V HA 0.220 4.340 4.120 -0.000 0.000 0.307 344 V C 0.700 176.756 176.094 -0.063 0.000 1.069 344 V CA -0.917 61.285 62.300 -0.164 0.000 1.173 344 V CB -0.386 31.375 31.823 -0.103 0.000 0.925 344 V HN 0.284 nan 8.190 nan 0.000 0.492 345 N N 3.710 122.303 118.700 -0.178 0.000 2.288 345 N HA 0.538 5.278 4.740 -0.000 0.000 0.237 345 N C -0.379 174.878 175.510 -0.423 0.000 1.311 345 N CA 0.048 52.933 53.050 -0.276 0.000 0.909 345 N CB 0.357 38.495 38.487 -0.582 0.000 1.167 345 N HN 0.959 nan 8.380 nan 0.000 0.476 346 M N -2.277 116.923 119.600 -0.666 0.000 2.790 346 M HA 0.196 4.675 4.480 -0.000 0.000 0.272 346 M C 0.672 176.702 176.300 -0.449 0.000 1.168 346 M CA -0.852 54.158 55.300 -0.484 0.000 0.829 346 M CB 1.085 33.370 32.600 -0.524 0.000 1.675 346 M HN 0.299 nan 8.290 nan 0.000 0.505 347 S N 0.712 116.351 115.700 -0.102 0.000 2.370 347 S HA -0.128 4.341 4.470 -0.000 0.000 0.226 347 S C 1.923 176.436 174.600 -0.144 0.000 1.033 347 S CA 1.636 59.819 58.200 -0.028 0.000 1.011 347 S CB -0.880 62.349 63.200 0.048 0.000 0.852 347 S HN 0.819 nan 8.310 nan 0.000 0.457 348 A N 1.747 124.421 122.820 -0.243 0.000 1.948 348 A HA -0.043 4.277 4.320 -0.000 0.000 0.220 348 A C 1.541 179.130 177.584 0.008 0.000 1.177 348 A CA 1.668 53.644 52.037 -0.102 0.000 0.636 348 A CB -0.815 18.175 19.000 -0.016 0.000 0.815 348 A HN 0.858 nan 8.150 nan 0.000 0.449 349 F N -4.402 115.573 119.950 0.041 0.000 2.811 349 F HA 0.719 5.245 4.527 -0.000 0.000 0.342 349 F C 1.359 177.163 175.800 0.008 0.000 1.203 349 F CA -0.687 57.330 58.000 0.029 0.000 1.173 349 F CB -0.764 38.245 39.000 0.015 0.000 1.094 349 F HN 0.093 nan 8.300 nan 0.000 0.510 350 A N 1.385 124.182 122.820 -0.039 0.000 2.001 350 A HA -0.261 4.059 4.320 -0.000 0.000 0.224 350 A C 2.128 179.758 177.584 0.076 0.000 1.203 350 A CA 2.112 54.141 52.037 -0.014 0.000 0.667 350 A CB -0.373 18.681 19.000 0.091 0.000 0.823 350 A HN 0.429 nan 8.150 nan 0.000 0.473 351 K N -1.046 119.428 120.400 0.122 0.000 2.355 351 K HA 0.128 4.448 4.320 -0.000 0.000 0.198 351 K C 0.251 176.926 176.600 0.126 0.000 1.039 351 K CA -0.190 56.165 56.287 0.113 0.000 1.075 351 K CB 0.404 32.969 32.500 0.108 0.000 0.870 351 K HN 0.476 nan 8.250 nan 0.000 0.540 352 R N 1.309 121.908 120.500 0.164 0.000 2.623 352 R HA 0.060 4.400 4.340 -0.000 0.000 0.271 352 R C 1.101 177.448 176.300 0.077 0.000 1.043 352 R CA 0.475 56.669 56.100 0.156 0.000 1.083 352 R CB 0.529 30.916 30.300 0.145 0.000 0.974 352 R HN -0.020 nan 8.270 nan 0.000 0.436 353 K N 1.571 122.009 120.400 0.063 0.000 2.380 353 K HA 0.222 4.541 4.320 -0.000 0.000 0.198 353 K C 0.186 176.708 176.600 -0.129 0.000 1.070 353 K CA 0.330 56.567 56.287 -0.083 0.000 1.040 353 K CB 0.632 32.964 32.500 -0.281 0.000 0.903 353 K HN 0.458 nan 8.250 nan 0.000 0.549 354 I N 2.869 123.397 120.570 -0.070 0.000 2.330 354 I HA 0.168 4.338 4.170 -0.000 0.000 0.286 354 I C -0.781 175.242 176.117 -0.158 0.000 1.025 354 I CA -0.889 60.300 61.300 -0.185 0.000 1.197 354 I CB 1.009 38.922 38.000 -0.146 0.000 1.358 354 I HN -0.160 nan 8.210 nan 0.000 0.467 355 I N 7.291 127.731 120.570 -0.215 0.000 2.365 355 I HA 0.225 4.394 4.170 -0.000 0.000 0.291 355 I C -0.182 175.824 176.117 -0.185 0.000 1.004 355 I CA -0.873 60.315 61.300 -0.186 0.000 1.311 355 I CB 1.103 38.958 38.000 -0.241 0.000 1.401 355 I HN 0.336 nan 8.210 nan 0.000 0.491 356 L N 7.383 128.512 121.223 -0.155 0.000 2.276 356 L HA 0.432 4.771 4.340 -0.000 0.000 0.286 356 L C 0.140 176.877 176.870 -0.222 0.000 1.024 356 L CA -0.168 54.559 54.840 -0.189 0.000 0.826 356 L CB 0.340 42.268 42.059 -0.218 0.000 1.211 356 L HN 0.517 nan 8.230 nan 0.000 0.422 357 R N 5.340 125.705 120.500 -0.226 0.000 2.215 357 R HA 0.556 4.896 4.340 -0.000 0.000 0.336 357 R C -1.195 174.906 176.300 -0.331 0.000 0.996 357 R CA -0.436 55.460 56.100 -0.340 0.000 0.847 357 R CB 0.477 30.626 30.300 -0.251 0.000 1.127 357 R HN 0.625 nan 8.270 nan 0.000 0.465 358 I N 3.816 124.158 120.570 -0.380 0.000 2.362 358 I HA 0.181 4.351 4.170 -0.000 0.000 0.289 358 I C -0.191 175.806 176.117 -0.201 0.000 0.994 358 I CA -0.759 60.384 61.300 -0.262 0.000 1.158 358 I CB 1.761 39.581 38.000 -0.299 0.000 1.315 358 I HN 0.569 nan 8.210 nan 0.000 0.451 359 N N 7.095 125.720 118.700 -0.125 0.000 2.458 359 N HA 0.441 5.181 4.740 -0.000 0.000 0.270 359 N C -1.101 174.395 175.510 -0.023 0.000 1.102 359 N CA -0.105 52.893 53.050 -0.086 0.000 0.967 359 N CB 0.682 39.129 38.487 -0.066 0.000 1.078 359 N HN 0.440 nan 8.380 nan 0.000 0.471 360 I N 4.711 125.267 120.570 -0.023 0.000 2.378 360 I HA 0.377 4.546 4.170 -0.000 0.000 0.291 360 I C -2.108 174.013 176.117 0.007 0.000 0.992 360 I CA -2.484 58.826 61.300 0.017 0.000 1.154 360 I CB 2.023 40.040 38.000 0.029 0.000 1.315 360 I HN 0.451 nan 8.210 nan 0.000 0.448 361 P HA 0.035 nan 4.420 nan 0.000 0.269 361 P C -0.647 176.670 177.300 0.028 0.000 1.215 361 P CA -0.459 62.648 63.100 0.011 0.000 0.780 361 P CB 0.553 32.258 31.700 0.008 0.000 0.898 362 K N 1.729 122.147 120.400 0.031 0.000 2.440 362 K HA -0.046 4.273 4.320 -0.000 0.000 0.270 362 K C 0.056 176.686 176.600 0.050 0.000 0.980 362 K CA 0.488 56.807 56.287 0.053 0.000 0.953 362 K CB -0.208 32.321 32.500 0.049 0.000 0.925 362 K HN 0.453 nan 8.250 nan 0.000 0.497 363 D N 0.328 120.766 120.400 0.064 0.000 3.070 363 D HA -0.142 4.498 4.640 -0.000 0.000 0.210 363 D C -0.979 175.351 176.300 0.050 0.000 1.103 363 D CA 1.452 55.484 54.000 0.053 0.000 0.980 363 D CB -1.445 39.378 40.800 0.037 0.000 1.100 363 D HN 0.537 nan 8.370 nan 0.000 0.423 364 S N 0.205 115.938 115.700 0.056 0.000 2.616 364 S HA 0.568 5.038 4.470 -0.000 0.000 0.277 364 S C -2.450 172.187 174.600 0.061 0.000 1.234 364 S CA -1.379 56.848 58.200 0.045 0.000 1.028 364 S CB 1.621 64.839 63.200 0.031 0.000 0.988 364 S HN -0.106 nan 8.310 nan 0.000 0.522 365 P HA 0.186 nan 4.420 nan 0.000 0.247 365 P C 0.295 177.638 177.300 0.073 0.000 1.147 365 P CA 0.849 63.992 63.100 0.071 0.000 0.964 365 P CB -0.587 31.150 31.700 0.061 0.000 0.944 366 G N 1.415 110.255 108.800 0.066 0.000 2.428 366 G HA2 0.673 4.633 3.960 -0.000 0.000 0.304 366 G HA3 0.673 4.633 3.960 -0.000 0.000 0.304 366 G C -2.130 172.706 174.900 -0.106 0.000 1.303 366 G CA -0.016 45.089 45.100 0.008 0.000 0.825 366 G HN 0.516 nan 8.290 nan 0.000 0.484 367 A N -1.564 121.056 122.820 -0.334 0.000 2.594 367 A HA 0.568 4.888 4.320 -0.000 0.000 0.296 367 A C -1.969 175.063 177.584 -0.920 0.000 1.056 367 A CA -0.562 50.927 52.037 -0.913 0.000 0.693 367 A CB 1.130 19.529 19.000 -1.000 0.000 1.278 367 A HN 1.747 nan 8.150 nan 0.000 0.408 368 Y N 3.138 122.428 120.300 -1.683 0.000 2.616 368 Y HA 0.358 4.908 4.550 -0.000 0.000 0.350 368 Y C 0.788 176.461 175.900 -0.378 0.000 1.119 368 Y CA -0.686 56.958 58.100 -0.761 0.000 1.467 368 Y CB 0.207 38.329 38.460 -0.564 0.000 1.287 368 Y HN 0.593 nan 8.280 nan 0.000 0.504 369 L N 2.559 123.533 121.223 -0.415 0.000 2.046 369 L HA -0.196 4.143 4.340 -0.000 0.000 0.208 369 L C 2.190 178.944 176.870 -0.192 0.000 1.077 369 L CA 1.609 56.334 54.840 -0.191 0.000 0.747 369 L CB -0.864 41.133 42.059 -0.102 0.000 0.896 369 L HN 0.513 nan 8.230 nan 0.000 0.432 370 S N -0.549 114.828 115.700 -0.538 0.000 2.626 370 S HA -0.081 4.389 4.470 -0.000 0.000 0.245 370 S C 1.880 176.329 174.600 -0.253 0.000 0.973 370 S CA 0.681 58.590 58.200 -0.486 0.000 0.959 370 S CB -0.387 62.358 63.200 -0.758 0.000 0.762 370 S HN 0.478 nan 8.310 nan 0.000 0.539 371 A N 1.047 123.829 122.820 -0.064 0.000 2.081 371 A HA 0.213 4.533 4.320 -0.000 0.000 0.214 371 A C 0.832 178.520 177.584 0.174 0.000 1.158 371 A CA -0.008 52.160 52.037 0.218 0.000 0.724 371 A CB -0.107 19.134 19.000 0.403 0.000 0.826 371 A HN 0.412 nan 8.150 nan 0.000 0.463 372 I N 1.513 122.161 120.570 0.130 0.000 2.815 372 I HA 0.095 4.264 4.170 -0.000 0.000 0.291 372 I C -2.039 174.137 176.117 0.098 0.000 1.209 372 I CA -1.650 59.698 61.300 0.080 0.000 1.431 372 I CB -0.722 37.277 38.000 -0.002 0.000 1.351 372 I HN 0.124 nan 8.210 nan 0.000 0.585 373 P HA 0.274 nan 4.420 nan 0.000 0.279 373 P C 0.612 177.965 177.300 0.089 0.000 1.276 373 P CA 0.393 63.538 63.100 0.075 0.000 0.801 373 P CB 1.361 33.094 31.700 0.054 0.000 1.127 374 G N 0.371 109.212 108.800 0.069 0.000 5.426 374 G HA2 -0.449 3.510 3.960 -0.000 0.000 0.297 374 G HA3 -0.449 3.510 3.960 -0.000 0.000 0.297 374 G C 1.048 175.994 174.900 0.077 0.000 1.422 374 G CA 0.654 45.793 45.100 0.065 0.000 0.938 374 G HN 0.504 nan 8.290 nan 0.000 0.754 375 Y N 2.469 122.761 120.300 -0.014 0.000 2.221 375 Y HA -0.053 4.497 4.550 -0.001 0.000 0.280 375 Y C 2.343 178.212 175.900 -0.052 0.000 1.225 375 Y CA 2.328 60.415 58.100 -0.022 0.000 1.191 375 Y CB -0.571 37.878 38.460 -0.018 0.000 0.964 375 Y HN 0.983 nan 8.280 nan 0.000 0.530 376 A N 0.022 122.871 122.820 0.047 0.000 2.540 376 A HA 0.382 4.701 4.320 -0.000 0.000 0.239 376 A C 1.149 178.646 177.584 -0.145 0.000 1.061 376 A CA 0.776 52.790 52.037 -0.039 0.000 0.758 376 A CB -0.755 18.254 19.000 0.014 0.000 0.991 376 A HN 1.112 nan 8.150 nan 0.000 0.502 377 G N 1.369 110.004 108.800 -0.275 0.000 2.223 377 G HA2 0.135 4.095 3.960 -0.000 0.000 0.200 377 G HA3 0.135 4.095 3.960 -0.000 0.000 0.200 377 G C -0.126 174.435 174.900 -0.565 0.000 1.061 377 G CA 0.477 45.353 45.100 -0.374 0.000 0.790 377 G HN 1.370 nan 8.290 nan 0.000 0.498 378 E N -0.225 119.495 120.200 -0.800 0.000 2.614 378 E HA 0.080 4.430 4.350 -0.000 0.000 0.192 378 E C 0.296 176.712 176.600 -0.308 0.000 0.930 378 E CA 0.118 56.177 56.400 -0.569 0.000 1.346 378 E CB -0.704 28.903 29.700 -0.155 0.000 1.252 378 E HN 1.081 nan 8.360 nan 0.000 0.647 379 Y N 0.943 121.274 120.300 0.051 0.000 3.178 379 Y HA -0.215 4.334 4.550 -0.000 0.000 0.200 379 Y C 0.012 175.997 175.900 0.142 0.000 1.427 379 Y CA 0.978 59.183 58.100 0.176 0.000 1.250 379 Y CB -2.432 36.171 38.460 0.238 0.000 1.421 379 Y HN 0.333 nan 8.280 nan 0.000 0.506 380 E N 0.467 120.631 120.200 -0.060 0.000 2.216 380 E HA 0.681 5.031 4.350 -0.000 0.000 0.279 380 E C -0.950 175.616 176.600 -0.055 0.000 0.997 380 E CA -0.826 55.567 56.400 -0.012 0.000 0.817 380 E CB 1.285 30.970 29.700 -0.026 0.000 1.096 380 E HN 0.158 nan 8.360 nan 0.000 0.393 381 V N 5.483 125.425 119.914 0.047 0.000 2.487 381 V HA 0.301 4.421 4.120 -0.000 0.000 0.298 381 V C -0.535 175.532 176.094 -0.045 0.000 1.028 381 V CA -0.823 61.484 62.300 0.011 0.000 0.860 381 V CB 1.420 33.297 31.823 0.090 0.000 0.991 381 V HN 0.628 nan 8.190 nan 0.000 0.427 382 L N 6.158 127.316 121.223 -0.108 0.000 2.295 382 L HA 0.617 4.957 4.340 -0.000 0.000 0.285 382 L C -0.647 176.219 176.870 -0.006 0.000 1.035 382 L CA 0.138 54.923 54.840 -0.091 0.000 0.806 382 L CB 1.201 43.143 42.059 -0.196 0.000 1.214 382 L HN 0.515 nan 8.230 nan 0.000 0.426 383 L N 4.075 125.337 121.223 0.065 0.000 2.329 383 L HA 0.443 4.783 4.340 -0.000 0.000 0.279 383 L C -0.119 176.864 176.870 0.187 0.000 1.014 383 L CA -0.930 53.980 54.840 0.115 0.000 0.814 383 L CB 1.601 43.745 42.059 0.142 0.000 1.257 383 L HN 0.606 nan 8.230 nan 0.000 0.424 384 N N 1.733 120.528 118.700 0.158 0.000 2.447 384 N HA -0.024 4.716 4.740 -0.000 0.000 0.263 384 N C -0.158 175.343 175.510 -0.015 0.000 1.226 384 N CA 0.060 53.216 53.050 0.176 0.000 0.906 384 N CB 0.287 38.857 38.487 0.139 0.000 1.060 384 N HN 0.556 nan 8.380 nan 0.000 0.468 385 H N 1.607 120.447 119.070 -0.384 0.000 3.058 385 H HA 0.174 4.730 4.556 -0.000 0.000 0.347 385 H C 1.249 176.437 175.328 -0.232 0.000 1.087 385 H CA 0.360 56.131 56.048 -0.462 0.000 1.375 385 H CB 0.240 29.405 29.762 -0.995 0.000 1.312 385 H HN 0.757 nan 8.280 nan 0.000 0.607 386 G N 1.971 110.543 108.800 -0.379 0.000 2.179 386 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.257 386 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.257 386 G C 0.010 174.757 174.900 -0.255 0.000 1.010 386 G CA 0.341 45.245 45.100 -0.327 0.000 0.736 386 G HN 0.780 nan 8.290 nan 0.000 0.513 387 S N -0.079 115.480 115.700 -0.235 0.000 2.580 387 S HA 0.543 5.012 4.470 -0.000 0.000 0.274 387 S C 0.450 174.783 174.600 -0.446 0.000 1.329 387 S CA -0.070 57.902 58.200 -0.379 0.000 1.036 387 S CB 1.090 64.004 63.200 -0.478 0.000 0.919 387 S HN 0.502 nan 8.310 nan 0.000 0.515 388 K N 1.681 121.763 120.400 -0.530 0.000 2.259 388 K HA 0.591 4.911 4.320 -0.000 0.000 0.252 388 K C -1.382 174.913 176.600 -0.509 0.000 0.936 388 K CA -0.312 55.764 56.287 -0.351 0.000 0.810 388 K CB 1.487 33.887 32.500 -0.166 0.000 1.143 388 K HN 0.420 nan 8.250 nan 0.000 0.427 389 F N 1.096 121.096 119.950 0.082 0.000 2.556 389 F HA 0.361 4.888 4.527 -0.001 0.000 0.314 389 F C -0.028 175.815 175.800 0.071 0.000 1.106 389 F CA -0.976 57.060 58.000 0.061 0.000 0.911 389 F CB 2.153 41.202 39.000 0.081 0.000 1.190 389 F HN 0.243 nan 8.300 nan 0.000 0.448 390 K N 4.263 124.795 120.400 0.220 0.000 2.264 390 K HA 0.504 4.824 4.320 -0.000 0.000 0.277 390 K C -0.788 175.879 176.600 0.111 0.000 1.067 390 K CA -0.329 56.035 56.287 0.128 0.000 0.900 390 K CB 0.559 33.088 32.500 0.048 0.000 1.124 390 K HN 0.642 nan 8.250 nan 0.000 0.469 391 I N 5.533 126.187 120.570 0.139 0.000 2.260 391 I HA 0.006 4.176 4.170 -0.000 0.000 0.297 391 I C 0.356 176.507 176.117 0.056 0.000 1.143 391 I CA -0.326 61.039 61.300 0.107 0.000 1.271 391 I CB 0.326 38.429 38.000 0.171 0.000 1.461 391 I HN 0.719 nan 8.210 nan 0.000 0.530 392 N N 4.033 122.716 118.700 -0.029 0.000 2.309 392 N HA -0.042 4.697 4.740 -0.000 0.000 0.182 392 N C 0.359 175.895 175.510 0.044 0.000 1.018 392 N CA 0.916 53.898 53.050 -0.112 0.000 0.876 392 N CB 0.168 38.388 38.487 -0.445 0.000 0.972 392 N HN 0.360 nan 8.380 nan 0.000 0.434 393 K N 0.188 120.630 120.400 0.071 0.000 2.572 393 K HA 0.316 4.636 4.320 -0.000 0.000 0.263 393 K C -2.069 174.567 176.600 0.059 0.000 0.932 393 K CA -0.455 55.908 56.287 0.127 0.000 0.838 393 K CB 2.334 34.952 32.500 0.197 0.000 1.366 393 K HN -0.265 nan 8.250 nan 0.000 0.425 394 V N 3.499 123.446 119.914 0.054 0.000 2.407 394 V HA 0.417 4.537 4.120 -0.000 0.000 0.291 394 V C -0.320 175.746 176.094 -0.048 0.000 1.018 394 V CA -0.764 61.532 62.300 -0.008 0.000 0.842 394 V CB 1.714 33.563 31.823 0.044 0.000 0.996 394 V HN 0.624 nan 8.190 nan 0.000 0.426 395 D N 2.048 122.390 120.400 -0.097 0.000 2.414 395 D HA 0.763 5.403 4.640 -0.000 0.000 0.241 395 D C -0.514 175.704 176.300 -0.138 0.000 1.008 395 D CA -0.056 53.891 54.000 -0.090 0.000 1.001 395 D CB 2.498 43.257 40.800 -0.069 0.000 1.277 395 D HN 0.661 nan 8.370 nan 0.000 0.538 396 S N -0.007 115.643 115.700 -0.084 0.000 2.541 396 S HA 0.708 5.177 4.470 -0.000 0.000 0.271 396 S C -1.471 173.157 174.600 0.047 0.000 1.133 396 S CA -0.804 57.334 58.200 -0.103 0.000 0.876 396 S CB 1.393 64.479 63.200 -0.190 0.000 1.105 396 S HN 0.456 nan 8.310 nan 0.000 0.470 397 Y N -0.261 119.961 120.300 -0.129 0.000 2.562 397 Y HA 0.707 5.257 4.550 -0.001 0.000 0.345 397 Y C -0.951 174.953 175.900 0.006 0.000 1.045 397 Y CA -1.285 56.792 58.100 -0.038 0.000 1.028 397 Y CB 0.988 39.435 38.460 -0.020 0.000 1.297 397 Y HN 0.548 nan 8.280 nan 0.000 0.463 398 K N 2.549 122.990 120.400 0.068 0.000 2.339 398 K HA 0.111 4.431 4.320 -0.000 0.000 0.286 398 K C -1.143 175.573 176.600 0.194 0.000 1.050 398 K CA 0.001 56.300 56.287 0.020 0.000 0.956 398 K CB 0.827 33.359 32.500 0.053 0.000 0.990 398 K HN 0.860 nan 8.250 nan 0.000 0.475 399 D N 2.741 123.193 120.400 0.086 0.000 2.477 399 D HA 0.307 4.947 4.640 -0.000 0.000 0.239 399 D C 0.801 177.206 176.300 0.175 0.000 1.102 399 D CA 0.250 54.456 54.000 0.344 0.000 0.901 399 D CB 0.357 41.332 40.800 0.291 0.000 1.026 399 D HN 0.742 nan 8.370 nan 0.000 0.515 400 G N 3.511 112.386 108.800 0.125 0.000 2.609 400 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.288 400 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.288 400 G C 0.932 175.857 174.900 0.041 0.000 1.211 400 G CA 0.933 46.074 45.100 0.068 0.000 0.963 400 G HN 0.824 nan 8.290 nan 0.000 0.541 401 T N -1.783 112.789 114.554 0.030 0.000 3.010 401 T HA 0.570 4.919 4.350 -0.000 0.000 0.257 401 T C 0.572 175.268 174.700 -0.008 0.000 1.020 401 T CA 0.872 62.978 62.100 0.011 0.000 0.938 401 T CB 0.625 69.500 68.868 0.011 0.000 1.049 401 T HN 1.054 nan 8.240 nan 0.000 0.522 402 V N 2.485 122.390 119.914 -0.015 0.000 2.407 402 V HA 0.442 4.562 4.120 -0.000 0.000 0.278 402 V C 0.208 176.235 176.094 -0.112 0.000 1.037 402 V CA -0.573 61.695 62.300 -0.054 0.000 0.900 402 V CB 1.284 33.082 31.823 -0.041 0.000 0.983 402 V HN 0.308 nan 8.190 nan 0.000 0.459 403 T N 6.459 120.936 114.554 -0.127 0.000 2.799 403 T HA 0.447 4.796 4.350 -0.000 0.000 0.286 403 T C -0.086 174.468 174.700 -0.244 0.000 0.973 403 T CA -0.526 61.460 62.100 -0.190 0.000 1.035 403 T CB 0.541 69.354 68.868 -0.092 0.000 0.932 403 T HN 0.654 nan 8.240 nan 0.000 0.469 404 K N 2.135 122.220 120.400 -0.524 0.000 2.352 404 K HA 0.666 4.986 4.320 -0.000 0.000 0.240 404 K C -1.316 174.951 176.600 -0.555 0.000 1.017 404 K CA -1.111 54.864 56.287 -0.520 0.000 0.851 404 K CB 1.397 33.540 32.500 -0.595 0.000 1.261 404 K HN 0.169 nan 8.250 nan 0.000 0.451 405 L N 1.611 122.528 121.223 -0.510 0.000 2.329 405 L HA 0.479 4.819 4.340 -0.000 0.000 0.279 405 L C -0.547 176.109 176.870 -0.356 0.000 1.014 405 L CA -0.361 54.162 54.840 -0.527 0.000 0.814 405 L CB 1.229 42.767 42.059 -0.867 0.000 1.257 405 L HN 0.489 nan 8.230 nan 0.000 0.424 406 I N 4.158 124.558 120.570 -0.284 0.000 2.389 406 I HA 0.326 4.496 4.170 -0.000 0.000 0.288 406 I C -0.938 175.053 176.117 -0.209 0.000 0.999 406 I CA -0.603 60.534 61.300 -0.272 0.000 1.129 406 I CB 1.529 39.353 38.000 -0.294 0.000 1.288 406 I HN 0.234 nan 8.210 nan 0.000 0.444 407 L N 6.142 127.245 121.223 -0.201 0.000 2.265 407 L HA 0.317 4.657 4.340 -0.000 0.000 0.289 407 L C -0.067 176.738 176.870 -0.109 0.000 1.033 407 L CA -0.163 54.592 54.840 -0.142 0.000 0.814 407 L CB 0.870 42.830 42.059 -0.165 0.000 1.203 407 L HN 0.451 nan 8.230 nan 0.000 0.423 408 D N 3.699 124.060 120.400 -0.065 0.000 2.316 408 D HA 0.575 5.215 4.640 -0.000 0.000 0.245 408 D C -0.713 175.548 176.300 -0.065 0.000 1.171 408 D CA -0.064 53.898 54.000 -0.064 0.000 0.856 408 D CB 1.251 42.040 40.800 -0.018 0.000 1.090 408 D HN 0.561 nan 8.370 nan 0.000 0.476 409 A N 3.049 125.819 122.820 -0.085 0.000 2.469 409 A HA 0.739 5.059 4.320 -0.000 0.000 0.299 409 A C -0.501 177.068 177.584 -0.025 0.000 1.098 409 A CA -0.731 51.282 52.037 -0.040 0.000 0.737 409 A CB 1.780 20.764 19.000 -0.026 0.000 1.312 409 A HN 0.455 nan 8.150 nan 0.000 0.414 410 T N 1.322 115.900 114.554 0.039 0.000 2.856 410 T HA 0.497 4.847 4.350 -0.000 0.000 0.283 410 T C -0.596 174.211 174.700 0.177 0.000 1.008 410 T CA -0.328 61.806 62.100 0.056 0.000 0.997 410 T CB 1.226 70.093 68.868 -0.001 0.000 0.992 410 T HN 0.727 nan 8.240 nan 0.000 0.454 411 L N 4.738 126.077 121.223 0.193 0.000 2.319 411 L HA 0.391 4.730 4.340 -0.000 0.000 0.280 411 L C 1.109 177.981 176.870 0.003 0.000 1.099 411 L CA -0.257 54.672 54.840 0.149 0.000 0.828 411 L CB 0.118 42.261 42.059 0.140 0.000 1.150 411 L HN 0.738 nan 8.230 nan 0.000 0.442 412 I N 2.261 122.794 120.570 -0.062 0.000 2.286 412 I HA 0.052 4.222 4.170 -0.000 0.000 0.245 412 I C 0.875 176.953 176.117 -0.065 0.000 1.104 412 I CA 0.781 62.048 61.300 -0.053 0.000 1.397 412 I CB -0.863 37.107 38.000 -0.051 0.000 1.072 412 I HN 0.808 nan 8.210 nan 0.000 0.417 413 N N 0.000 118.637 118.700 -0.105 0.000 1.763 413 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 413 N CA 0.000 52.999 53.050 -0.085 0.000 0.885 413 N CB 0.000 38.419 38.487 -0.113 0.000 1.341 413 N HN 0.000 nan 8.380 nan 0.000 0.667