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 3dya_1_A DATA FIRST_RESID 1 DATA SEQUENCE PISPIETVPV KLKPGMDGPK VKQWPLTEEK IKALVEICTE MEKEGKISKI DATA SEQUENCE GPENPYNTPV FAIKXXXXTK WRKLVDFREL NKRTQDFWEV QLGIPHPAGL DATA SEQUENCE KKKKSVTVLD VGDAYFSVPL DEDFRKYTAF TIPSINNETP GIRYQYNVLP DATA SEQUENCE QGWKGSPAIF QSSMTKILEP FRKQNPDIVI YQYMDDLYVG SDLEIGQHRT DATA SEQUENCE KIEELRQHLL RWGLTTPDKK HQKEPPFLWM GYELHPDKWT VQPIVLPEKD DATA SEQUENCE SWTVNDIQKL VGKLNWASQI YPGIKVRQLC KLLRGTKALT EVIPLTEEAE DATA SEQUENCE LELAENREIL KEPVHGVYYD PSKDLIAEIQ KQGQGQWTYQ IYQEPFKNLK DATA SEQUENCE TGKYARMRGA HTNDVKQLTE AVQKITTESI VIWGKTPKFK LPIQKETWET DATA SEQUENCE WWTEYWQATW IPEWEFVNTP PLVKLWYQLE KEPIVGAETF YVDGAANRET DATA SEQUENCE KLGKAGYVTN RGRQKVVTLT DTTNQKTELQ AIYLALQDSG LEVNIVTDSQ DATA SEQUENCE YALGIIQAQP DQSESELVNQ IIEQLIKKEK VYLAWVPAHK GIGGNEQVDK DATA SEQUENCE LVSAG 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 P HA 0.000 nan 4.420 nan 0.000 0.216 1 P C 0.000 177.361 177.300 0.102 0.000 1.155 1 P CA 0.000 63.143 63.100 0.071 0.000 0.800 1 P CB 0.000 31.735 31.700 0.059 0.000 0.726 2 I N 0.164 120.790 120.570 0.093 0.000 2.447 2 I HA 0.349 4.519 4.170 0.000 0.000 0.287 2 I C 0.254 176.441 176.117 0.117 0.000 1.023 2 I CA -0.757 60.614 61.300 0.119 0.000 1.083 2 I CB 2.029 40.091 38.000 0.104 0.000 1.245 2 I HN 0.362 nan 8.210 nan 0.000 0.434 3 S N 7.552 123.344 115.700 0.154 0.000 2.558 3 S HA 0.111 4.581 4.470 0.000 0.000 0.293 3 S C -1.208 173.502 174.600 0.184 0.000 1.292 3 S CA -0.748 57.566 58.200 0.190 0.000 1.063 3 S CB 0.645 63.976 63.200 0.218 0.000 0.831 3 S HN 0.476 nan 8.310 nan 0.000 0.499 4 P HA 0.041 nan 4.420 nan 0.000 0.237 4 P C 0.801 178.295 177.300 0.323 0.000 1.178 4 P CA -0.043 63.161 63.100 0.173 0.000 0.766 4 P CB -0.123 31.580 31.700 0.005 0.000 0.876 5 I N 2.327 123.169 120.570 0.453 0.000 2.948 5 I HA -0.107 4.063 4.170 0.000 0.000 0.303 5 I C 1.060 177.271 176.117 0.157 0.000 1.224 5 I CA 0.483 61.949 61.300 0.277 0.000 1.442 5 I CB 0.341 38.368 38.000 0.046 0.000 1.328 5 I HN 0.149 nan 8.210 nan 0.000 0.578 6 E N 5.423 125.689 120.200 0.109 0.000 2.422 6 E HA 0.060 4.410 4.350 0.000 0.000 0.260 6 E C -0.350 176.287 176.600 0.061 0.000 1.108 6 E CA -0.514 55.935 56.400 0.081 0.000 0.943 6 E CB 0.402 30.139 29.700 0.061 0.000 0.961 6 E HN 0.651 nan 8.360 nan 0.000 0.443 7 T N -1.101 113.493 114.554 0.066 0.000 2.874 7 T HA 0.341 4.691 4.350 0.000 0.000 0.281 7 T C 0.179 174.914 174.700 0.060 0.000 0.994 7 T CA -0.994 61.147 62.100 0.069 0.000 1.015 7 T CB 1.252 70.169 68.868 0.082 0.000 1.028 7 T HN 0.321 nan 8.240 nan 0.000 0.523 8 V N 4.195 124.149 119.914 0.068 0.000 2.406 8 V HA 0.351 4.471 4.120 0.000 0.000 0.272 8 V C -1.867 174.278 176.094 0.086 0.000 1.043 8 V CA -1.811 60.532 62.300 0.072 0.000 0.915 8 V CB 0.718 32.592 31.823 0.086 0.000 0.988 8 V HN 0.846 nan 8.190 nan 0.000 0.466 9 P HA 0.263 nan 4.420 nan 0.000 0.271 9 P C -0.942 176.394 177.300 0.061 0.000 1.216 9 P CA 0.029 63.174 63.100 0.074 0.000 0.771 9 P CB 1.223 32.959 31.700 0.059 0.000 0.864 10 V N 3.889 123.836 119.914 0.055 0.000 2.760 10 V HA 0.412 4.532 4.120 0.000 0.000 0.309 10 V C 0.118 176.226 176.094 0.025 0.000 1.077 10 V CA -0.653 61.617 62.300 -0.050 0.000 0.910 10 V CB 2.331 33.996 31.823 -0.263 0.000 1.008 10 V HN 0.463 nan 8.190 nan 0.000 0.424 11 K N 3.298 123.684 120.400 -0.022 0.000 2.340 11 K HA 0.734 5.054 4.320 0.000 0.000 0.244 11 K C -1.040 175.628 176.600 0.113 0.000 0.973 11 K CA -0.878 55.468 56.287 0.099 0.000 0.828 11 K CB 2.695 35.206 32.500 0.018 0.000 1.226 11 K HN 0.410 nan 8.250 nan 0.000 0.437 12 L N 1.484 122.773 121.223 0.110 0.000 2.475 12 L HA 0.253 4.593 4.340 0.000 0.000 0.253 12 L C 0.418 177.274 176.870 -0.023 0.000 1.198 12 L CA -0.439 54.402 54.840 0.002 0.000 0.814 12 L CB 0.217 42.164 42.059 -0.186 0.000 1.134 12 L HN 0.354 nan 8.230 nan 0.000 0.478 13 K N 1.359 121.739 120.400 -0.032 0.000 2.326 13 K HA 0.081 4.402 4.320 0.000 0.000 0.275 13 K C -1.585 175.002 176.600 -0.021 0.000 1.018 13 K CA -1.227 55.040 56.287 -0.033 0.000 0.962 13 K CB 0.477 32.961 32.500 -0.026 0.000 0.953 13 K HN 0.251 nan 8.250 nan 0.000 0.475 14 P HA -0.252 nan 4.420 nan 0.000 0.222 14 P C 0.827 178.129 177.300 0.004 0.000 1.157 14 P CA 1.575 64.672 63.100 -0.004 0.000 0.905 14 P CB 0.123 31.820 31.700 -0.005 0.000 0.792 15 G N -2.654 106.147 108.800 0.003 0.000 3.371 15 G HA2 0.279 4.239 3.960 0.000 0.000 0.248 15 G HA3 0.279 4.239 3.960 0.000 0.000 0.248 15 G C 0.261 175.168 174.900 0.012 0.000 1.161 15 G CA -0.065 45.041 45.100 0.011 0.000 0.796 15 G HN 0.187 nan 8.290 nan 0.000 0.539 16 M N 0.601 120.202 119.600 0.001 0.000 2.393 16 M HA 0.347 4.827 4.480 0.000 0.000 0.316 16 M C -1.312 174.975 176.300 -0.021 0.000 1.087 16 M CA -0.870 54.426 55.300 -0.006 0.000 0.937 16 M CB 2.362 34.950 32.600 -0.020 0.000 1.668 16 M HN -0.122 nan 8.290 nan 0.000 0.438 17 D N 1.198 121.603 120.400 0.009 0.000 2.388 17 D HA 0.510 5.150 4.640 0.000 0.000 0.254 17 D C 0.100 176.358 176.300 -0.070 0.000 1.111 17 D CA 0.119 54.139 54.000 0.033 0.000 0.993 17 D CB 1.503 42.394 40.800 0.151 0.000 1.118 17 D HN 0.706 nan 8.370 nan 0.000 0.502 18 G N 0.474 109.162 108.800 -0.186 0.000 2.667 18 G HA2 0.318 4.278 3.960 0.000 0.000 0.250 18 G HA3 0.318 4.278 3.960 0.000 0.000 0.250 18 G C -2.247 172.655 174.900 0.003 0.000 1.212 18 G CA -0.785 44.085 45.100 -0.384 0.000 0.874 18 G HN 0.432 nan 8.290 nan 0.000 0.561 19 P HA 0.256 nan 4.420 nan 0.000 0.275 19 P C -0.948 176.516 177.300 0.273 0.000 1.227 19 P CA -0.198 63.001 63.100 0.164 0.000 0.781 19 P CB 1.138 32.934 31.700 0.159 0.000 0.906 20 K N 2.223 122.750 120.400 0.212 0.000 2.842 20 K HA 0.347 4.668 4.320 0.000 0.000 0.176 20 K C -0.710 175.971 176.600 0.134 0.000 1.080 20 K CA -0.652 55.745 56.287 0.183 0.000 0.954 20 K CB 0.911 33.500 32.500 0.148 0.000 1.203 20 K HN 0.195 nan 8.250 nan 0.000 0.611 21 V N 1.328 121.324 119.914 0.137 0.000 2.472 21 V HA 0.279 4.399 4.120 0.000 0.000 0.290 21 V C 0.352 176.516 176.094 0.116 0.000 1.037 21 V CA -0.871 61.498 62.300 0.115 0.000 0.908 21 V CB 1.973 33.861 31.823 0.108 0.000 0.985 21 V HN 0.405 nan 8.190 nan 0.000 0.454 22 K N 2.801 123.268 120.400 0.113 0.000 2.258 22 K HA 0.281 4.601 4.320 0.000 0.000 0.284 22 K C -0.098 176.592 176.600 0.150 0.000 1.051 22 K CA -0.551 55.807 56.287 0.118 0.000 0.923 22 K CB 0.815 33.383 32.500 0.113 0.000 1.046 22 K HN 0.697 nan 8.250 nan 0.000 0.474 23 Q N 4.865 124.748 119.800 0.139 0.000 2.262 23 Q HA -0.048 4.292 4.340 0.000 0.000 0.272 23 Q C -1.112 175.005 176.000 0.195 0.000 1.076 23 Q CA 0.030 55.933 55.803 0.167 0.000 0.905 23 Q CB 0.390 29.210 28.738 0.136 0.000 1.182 23 Q HN 0.537 nan 8.270 nan 0.000 0.390 24 W N 7.366 128.693 121.300 0.044 0.000 2.210 24 W HA 0.223 4.883 4.660 0.000 0.000 0.330 24 W C -2.341 174.212 176.519 0.056 0.000 1.334 24 W CA -1.954 55.414 57.345 0.039 0.000 1.227 24 W CB 0.696 30.170 29.460 0.023 0.000 1.178 24 W HN 0.573 nan 8.180 nan 0.000 0.560 25 P HA 0.100 nan 4.420 nan 0.000 0.268 25 P C -0.697 176.524 177.300 -0.131 0.000 1.205 25 P CA 0.412 63.319 63.100 -0.321 0.000 0.771 25 P CB 0.693 32.132 31.700 -0.434 0.000 0.858 26 L N 1.219 122.450 121.223 0.013 0.000 2.333 26 L HA 0.401 4.741 4.340 0.000 0.000 0.269 26 L C 0.930 177.836 176.870 0.060 0.000 1.010 26 L CA -0.874 54.039 54.840 0.122 0.000 0.818 26 L CB 1.864 44.004 42.059 0.134 0.000 1.306 26 L HN 0.260 nan 8.230 nan 0.000 0.430 27 T N 0.334 114.942 114.554 0.089 0.000 2.908 27 T HA -0.074 4.276 4.350 0.000 0.000 0.325 27 T C 1.199 175.889 174.700 -0.017 0.000 1.092 27 T CA 0.347 62.474 62.100 0.045 0.000 1.125 27 T CB 0.463 69.373 68.868 0.069 0.000 1.016 27 T HN 0.653 nan 8.240 nan 0.000 0.550 28 E N 1.657 121.844 120.200 -0.022 0.000 2.085 28 E HA -0.173 4.177 4.350 0.000 0.000 0.194 28 E C 2.016 178.553 176.600 -0.104 0.000 0.994 28 E CA 1.597 57.967 56.400 -0.050 0.000 0.801 28 E CB 0.084 29.767 29.700 -0.029 0.000 0.743 28 E HN 0.708 nan 8.360 nan 0.000 0.453 29 E N 0.700 120.836 120.200 -0.107 0.000 2.077 29 E HA -0.174 4.176 4.350 0.000 0.000 0.193 29 E C 1.963 178.252 176.600 -0.520 0.000 0.989 29 E CA 1.037 57.315 56.400 -0.204 0.000 0.800 29 E CB -0.003 29.674 29.700 -0.038 0.000 0.746 29 E HN 0.114 nan 8.360 nan 0.000 0.452 30 K N 0.594 120.727 120.400 -0.445 0.000 2.025 30 K HA -0.094 4.226 4.320 0.000 0.000 0.207 30 K C 2.196 178.570 176.600 -0.378 0.000 1.049 30 K CA 1.131 57.090 56.287 -0.547 0.000 0.933 30 K CB -0.175 32.156 32.500 -0.281 0.000 0.714 30 K HN 0.098 nan 8.250 nan 0.000 0.438 31 I N 1.453 121.896 120.570 -0.212 0.000 2.208 31 I HA -0.329 3.842 4.170 0.000 0.000 0.245 31 I C 2.603 178.624 176.117 -0.161 0.000 1.097 31 I CA 1.333 62.555 61.300 -0.129 0.000 1.363 31 I CB -0.213 37.745 38.000 -0.071 0.000 1.051 31 I HN 0.177 nan 8.210 nan 0.000 0.413 32 K N 1.256 121.529 120.400 -0.212 0.000 2.025 32 K HA -0.174 4.146 4.320 0.000 0.000 0.207 32 K C 2.251 178.694 176.600 -0.262 0.000 1.049 32 K CA 1.450 57.619 56.287 -0.195 0.000 0.933 32 K CB -0.140 32.253 32.500 -0.179 0.000 0.714 32 K HN 0.270 nan 8.250 nan 0.000 0.438 33 A N 1.514 124.041 122.820 -0.488 0.000 1.883 33 A HA -0.158 4.162 4.320 0.000 0.000 0.217 33 A C 2.157 179.572 177.584 -0.282 0.000 1.186 33 A CA 1.509 53.206 52.037 -0.566 0.000 0.624 33 A CB -0.730 17.474 19.000 -1.326 0.000 0.822 33 A HN 0.339 nan 8.150 nan 0.000 0.444 34 L N -0.628 120.450 121.223 -0.242 0.000 2.017 34 L HA -0.177 4.163 4.340 0.000 0.000 0.208 34 L C 2.563 179.397 176.870 -0.060 0.000 1.073 34 L CA 1.213 55.988 54.840 -0.108 0.000 0.745 34 L CB -0.640 41.387 42.059 -0.054 0.000 0.894 34 L HN 0.256 nan 8.230 nan 0.000 0.432 35 V N 0.088 119.970 119.914 -0.053 0.000 2.287 35 V HA -0.338 3.782 4.120 0.000 0.000 0.248 35 V C 2.512 178.593 176.094 -0.023 0.000 1.053 35 V CA 2.237 64.534 62.300 -0.005 0.000 1.027 35 V CB -0.536 31.284 31.823 -0.005 0.000 0.646 35 V HN 0.555 nan 8.190 nan 0.000 0.447 36 E N 0.094 120.263 120.200 -0.051 0.000 2.051 36 E HA -0.222 4.128 4.350 0.000 0.000 0.192 36 E C 2.204 178.784 176.600 -0.033 0.000 0.991 36 E CA 1.748 58.127 56.400 -0.036 0.000 0.799 36 E CB -0.218 29.459 29.700 -0.039 0.000 0.748 36 E HN 0.605 nan 8.360 nan 0.000 0.449 37 I N 0.650 121.195 120.570 -0.041 0.000 2.163 37 I HA -0.358 3.812 4.170 0.000 0.000 0.243 37 I C 2.565 178.630 176.117 -0.086 0.000 1.085 37 I CA 0.978 62.257 61.300 -0.034 0.000 1.347 37 I CB -0.269 37.721 38.000 -0.016 0.000 1.044 37 I HN 0.369 nan 8.210 nan 0.000 0.408 38 C N -0.021 119.197 119.300 -0.137 0.000 2.457 38 C HA -0.117 4.343 4.460 0.000 0.000 0.278 38 C C 3.003 177.849 174.990 -0.240 0.000 1.309 38 C CA 1.236 60.066 59.018 -0.314 0.000 1.735 38 C CB -1.044 26.374 27.740 -0.536 0.000 1.992 38 C HN 0.507 nan 8.230 nan 0.000 0.493 39 T N 0.484 114.992 114.554 -0.076 0.000 2.684 39 T HA -0.242 4.108 4.350 0.000 0.000 0.267 39 T C 1.746 176.430 174.700 -0.026 0.000 1.036 39 T CA 1.971 64.069 62.100 -0.004 0.000 1.148 39 T CB -0.332 68.546 68.868 0.017 0.000 0.863 39 T HN 0.723 nan 8.240 nan 0.000 0.436 40 E N 0.355 120.534 120.200 -0.035 0.000 2.077 40 E HA -0.111 4.239 4.350 0.000 0.000 0.193 40 E C 2.239 178.811 176.600 -0.046 0.000 0.989 40 E CA 0.999 57.384 56.400 -0.026 0.000 0.800 40 E CB -0.154 29.540 29.700 -0.010 0.000 0.746 40 E HN 0.474 nan 8.360 nan 0.000 0.452 41 M N 0.482 120.026 119.600 -0.093 0.000 2.117 41 M HA -0.169 4.311 4.480 0.000 0.000 0.262 41 M C 2.446 178.666 176.300 -0.133 0.000 1.065 41 M CA 1.759 56.972 55.300 -0.144 0.000 1.114 41 M CB -0.341 32.111 32.600 -0.245 0.000 1.361 41 M HN 0.188 nan 8.290 nan 0.000 0.408 42 E N 1.060 121.190 120.200 -0.117 0.000 2.097 42 E HA -0.254 4.096 4.350 0.000 0.000 0.196 42 E C 1.670 178.263 176.600 -0.012 0.000 1.000 42 E CA 1.585 57.967 56.400 -0.031 0.000 0.804 42 E CB 0.038 29.785 29.700 0.079 0.000 0.740 42 E HN 0.382 nan 8.360 nan 0.000 0.454 43 K N -0.049 120.343 120.400 -0.013 0.000 2.439 43 K HA -0.051 4.269 4.320 0.000 0.000 0.197 43 K C 1.315 177.910 176.600 -0.007 0.000 1.041 43 K CA 1.080 57.364 56.287 -0.004 0.000 0.970 43 K CB 0.220 32.719 32.500 -0.000 0.000 0.773 43 K HN 0.247 nan 8.250 nan 0.000 0.479 44 E N -1.113 119.077 120.200 -0.018 0.000 2.481 44 E HA 0.101 4.451 4.350 0.000 0.000 0.198 44 E C 0.786 177.380 176.600 -0.010 0.000 1.027 44 E CA 0.346 56.741 56.400 -0.008 0.000 0.900 44 E CB 0.864 30.562 29.700 -0.003 0.000 0.993 44 E HN 0.383 nan 8.360 nan 0.000 0.482 45 G N 1.920 110.706 108.800 -0.022 0.000 2.195 45 G HA2 -0.288 3.672 3.960 0.000 0.000 0.246 45 G HA3 -0.288 3.672 3.960 0.000 0.000 0.246 45 G C 1.159 176.035 174.900 -0.039 0.000 0.984 45 G CA 0.439 45.530 45.100 -0.016 0.000 0.633 45 G HN 0.037 nan 8.290 nan 0.000 0.525 46 K N 0.412 120.754 120.400 -0.097 0.000 2.057 46 K HA 0.090 4.410 4.320 0.000 0.000 0.207 46 K C 1.709 178.173 176.600 -0.227 0.000 1.049 46 K CA 1.843 58.017 56.287 -0.187 0.000 0.931 46 K CB -0.417 31.850 32.500 -0.389 0.000 0.714 46 K HN 0.944 nan 8.250 nan 0.000 0.440 47 I N -3.287 117.144 120.570 -0.232 0.000 3.002 47 I HA 0.458 4.628 4.170 0.000 0.000 0.310 47 I C -0.778 175.330 176.117 -0.014 0.000 1.087 47 I CA -0.906 60.276 61.300 -0.198 0.000 1.017 47 I CB 2.569 40.362 38.000 -0.346 0.000 1.226 47 I HN -0.315 nan 8.210 nan 0.000 0.443 48 S N 1.903 117.639 115.700 0.061 0.000 2.547 48 S HA 0.404 4.874 4.470 0.000 0.000 0.281 48 S C -0.827 173.774 174.600 0.002 0.000 1.118 48 S CA -0.909 57.322 58.200 0.052 0.000 0.947 48 S CB 1.822 65.019 63.200 -0.005 0.000 1.053 48 S HN 0.490 nan 8.310 nan 0.000 0.482 49 K N 2.681 123.002 120.400 -0.131 0.000 2.448 49 K HA 0.305 4.625 4.320 0.000 0.000 0.278 49 K C 0.020 176.470 176.600 -0.250 0.000 1.009 49 K CA 0.210 56.256 56.287 -0.401 0.000 0.995 49 K CB 0.170 32.438 32.500 -0.387 0.000 0.917 49 K HN 0.639 nan 8.250 nan 0.000 0.481 50 I N -1.910 118.497 120.570 -0.272 0.000 2.892 50 I HA 0.505 4.675 4.170 0.000 0.000 0.306 50 I C 0.429 176.447 176.117 -0.164 0.000 1.078 50 I CA -1.167 60.027 61.300 -0.177 0.000 1.032 50 I CB 1.777 39.689 38.000 -0.146 0.000 1.229 50 I HN 0.520 nan 8.210 nan 0.000 0.435 51 G N 2.108 110.835 108.800 -0.123 0.000 2.683 51 G HA2 0.373 4.333 3.960 0.000 0.000 0.260 51 G HA3 0.373 4.333 3.960 0.000 0.000 0.260 51 G C -1.572 173.264 174.900 -0.107 0.000 1.238 51 G CA -0.777 44.259 45.100 -0.107 0.000 0.934 51 G HN 0.685 nan 8.290 nan 0.000 0.534 52 P HA 0.031 nan 4.420 nan 0.000 0.239 52 P C 1.189 178.434 177.300 -0.092 0.000 1.188 52 P CA 0.831 63.878 63.100 -0.089 0.000 0.794 52 P CB 0.280 31.935 31.700 -0.076 0.000 0.937 53 E N 0.251 120.397 120.200 -0.091 0.000 2.077 53 E HA -0.156 4.195 4.350 0.000 0.000 0.193 53 E C 1.259 177.778 176.600 -0.135 0.000 0.989 53 E CA 0.351 56.692 56.400 -0.098 0.000 0.800 53 E CB -1.076 28.574 29.700 -0.083 0.000 0.746 53 E HN 0.040 nan 8.360 nan 0.000 0.452 54 N N 2.441 121.059 118.700 -0.137 0.000 2.374 54 N HA -0.042 4.698 4.740 0.000 0.000 0.269 54 N C -1.536 173.834 175.510 -0.235 0.000 1.310 54 N CA -0.735 52.207 53.050 -0.180 0.000 0.877 54 N CB 1.032 39.456 38.487 -0.105 0.000 1.096 54 N HN 0.107 nan 8.380 nan 0.000 0.484 55 P HA 0.059 nan 4.420 nan 0.000 0.255 55 P C -0.620 176.480 177.300 -0.334 0.000 1.248 55 P CA 0.323 63.181 63.100 -0.405 0.000 0.807 55 P CB 0.113 31.518 31.700 -0.492 0.000 1.150 56 Y N 0.850 121.164 120.300 0.022 0.000 2.320 56 Y HA 0.545 5.095 4.550 0.000 0.000 0.324 56 Y C 0.870 176.812 175.900 0.070 0.000 1.190 56 Y CA -0.759 57.379 58.100 0.063 0.000 1.215 56 Y CB 0.474 38.984 38.460 0.084 0.000 1.221 56 Y HN -0.135 nan 8.280 nan 0.000 0.486 57 N N -0.696 118.166 118.700 0.271 0.000 2.405 57 N HA 0.547 5.287 4.740 0.000 0.000 0.274 57 N C -1.840 173.800 175.510 0.216 0.000 1.170 57 N CA -0.475 52.703 53.050 0.214 0.000 0.848 57 N CB 1.821 40.398 38.487 0.150 0.000 1.629 57 N HN 0.552 nan 8.380 nan 0.000 0.481 58 T N 2.443 117.131 114.554 0.223 0.000 2.886 58 T HA 0.526 4.876 4.350 0.000 0.000 0.292 58 T C -2.789 171.984 174.700 0.122 0.000 1.012 58 T CA -0.987 61.205 62.100 0.154 0.000 0.982 58 T CB 1.925 70.867 68.868 0.123 0.000 1.018 58 T HN 0.316 nan 8.240 nan 0.000 0.451 59 P HA 0.173 nan 4.420 nan 0.000 0.265 59 P C -0.665 176.657 177.300 0.038 0.000 1.193 59 P CA -0.317 62.830 63.100 0.079 0.000 0.765 59 P CB 0.301 32.027 31.700 0.045 0.000 0.823 60 V N 1.097 121.078 119.914 0.111 0.000 2.715 60 V HA 0.686 4.806 4.120 0.000 0.000 0.310 60 V C -0.620 175.618 176.094 0.239 0.000 1.054 60 V CA -0.924 61.427 62.300 0.085 0.000 0.928 60 V CB 1.892 33.755 31.823 0.067 0.000 1.007 60 V HN 0.432 nan 8.190 nan 0.000 0.437 61 F N 1.287 121.235 119.950 -0.003 0.000 2.629 61 F HA 0.890 5.417 4.527 0.000 0.000 0.316 61 F C -0.162 175.671 175.800 0.054 0.000 1.081 61 F CA -0.604 57.420 58.000 0.041 0.000 0.954 61 F CB 2.228 41.252 39.000 0.040 0.000 1.337 61 F HN 0.918 nan 8.300 nan 0.000 0.474 62 A N 4.350 126.859 122.820 -0.517 0.000 2.393 62 A HA 0.755 5.075 4.320 0.000 0.000 0.306 62 A C -1.901 175.506 177.584 -0.295 0.000 1.050 62 A CA -0.628 51.260 52.037 -0.248 0.000 0.724 62 A CB 1.541 20.429 19.000 -0.188 0.000 1.248 62 A HN 0.757 nan 8.150 nan 0.000 0.424 63 I N 1.558 122.152 120.570 0.041 0.000 2.769 63 I HA 0.386 4.556 4.170 0.000 0.000 0.298 63 I C -0.531 175.532 176.117 -0.090 0.000 1.128 63 I CA -0.793 60.504 61.300 -0.004 0.000 1.031 63 I CB 2.020 40.015 38.000 -0.008 0.000 1.235 63 I HN 0.646 nan 8.210 nan 0.000 0.423 70 K N 0.946 121.261 120.400 -0.141 0.000 2.218 70 K HA 0.537 4.857 4.320 0.000 0.000 0.276 70 K C -0.814 175.696 176.600 -0.150 0.000 1.022 70 K CA -0.522 55.725 56.287 -0.066 0.000 0.946 70 K CB 0.759 33.251 32.500 -0.013 0.000 1.000 70 K HN 0.258 nan 8.250 nan 0.000 0.468 71 W N 1.751 123.035 121.300 -0.027 0.000 2.381 71 W HA 0.332 4.992 4.660 0.000 0.000 0.329 71 W C 0.426 176.925 176.519 -0.033 0.000 1.157 71 W CA -0.509 56.811 57.345 -0.041 0.000 1.240 71 W CB 0.995 30.426 29.460 -0.048 0.000 1.199 71 W HN 0.204 nan 8.180 nan 0.000 0.579 72 R N 2.157 122.792 120.500 0.224 0.000 2.670 72 R HA 0.303 4.643 4.340 0.000 0.000 0.289 72 R C -0.656 175.718 176.300 0.125 0.000 0.965 72 R CA -1.282 54.900 56.100 0.135 0.000 0.899 72 R CB 2.243 32.587 30.300 0.073 0.000 1.173 72 R HN 0.397 nan 8.270 nan 0.000 0.456 73 K N 3.354 123.809 120.400 0.091 0.000 2.248 73 K HA 0.242 4.562 4.320 0.000 0.000 0.281 73 K C -1.054 175.580 176.600 0.057 0.000 1.054 73 K CA -0.465 55.850 56.287 0.047 0.000 0.903 73 K CB 0.609 33.115 32.500 0.011 0.000 1.077 73 K HN 0.255 nan 8.250 nan 0.000 0.474 74 L N 5.065 126.325 121.223 0.062 0.000 2.298 74 L HA 0.307 4.647 4.340 0.000 0.000 0.284 74 L C -0.782 176.081 176.870 -0.011 0.000 1.013 74 L CA -0.602 54.279 54.840 0.068 0.000 0.824 74 L CB 1.807 43.955 42.059 0.148 0.000 1.221 74 L HN 0.343 nan 8.230 nan 0.000 0.418 75 V N 1.996 121.837 119.914 -0.123 0.000 2.439 75 V HA 0.255 4.375 4.120 0.000 0.000 0.282 75 V C -0.243 175.629 176.094 -0.370 0.000 1.039 75 V CA -0.613 61.465 62.300 -0.370 0.000 0.913 75 V CB 1.687 33.081 31.823 -0.715 0.000 0.983 75 V HN 0.612 nan 8.190 nan 0.000 0.460 76 D N 3.602 123.813 120.400 -0.314 0.000 2.468 76 D HA 0.254 4.895 4.640 0.000 0.000 0.218 76 D C 0.259 176.468 176.300 -0.152 0.000 1.155 76 D CA -0.161 53.748 54.000 -0.153 0.000 0.924 76 D CB 0.169 40.925 40.800 -0.074 0.000 1.029 76 D HN 0.442 nan 8.370 nan 0.000 0.515 77 F N 1.916 121.927 119.950 0.101 0.000 2.693 77 F HA 0.213 4.740 4.527 0.000 0.000 0.303 77 F C 2.177 178.057 175.800 0.132 0.000 1.143 77 F CA -0.459 57.627 58.000 0.142 0.000 1.389 77 F CB 0.244 39.369 39.000 0.207 0.000 1.060 77 F HN 0.206 nan 8.300 nan 0.000 0.535 78 R N 0.421 121.050 120.500 0.215 0.000 2.113 78 R HA -0.201 4.139 4.340 0.000 0.000 0.244 78 R C 2.049 178.442 176.300 0.155 0.000 1.142 78 R CA 1.665 57.855 56.100 0.149 0.000 0.953 78 R CB -0.190 30.159 30.300 0.082 0.000 0.860 78 R HN 0.271 nan 8.270 nan 0.000 0.438 79 E N 0.417 120.714 120.200 0.160 0.000 2.046 79 E HA -0.145 4.205 4.350 0.000 0.000 0.190 79 E C 2.000 178.701 176.600 0.167 0.000 0.982 79 E CA 0.647 57.131 56.400 0.140 0.000 0.800 79 E CB -0.257 29.517 29.700 0.124 0.000 0.756 79 E HN 0.119 nan 8.360 nan 0.000 0.449 80 L N 2.246 123.616 121.223 0.246 0.000 2.012 80 L HA -0.203 4.137 4.340 0.000 0.000 0.210 80 L C 1.607 178.659 176.870 0.302 0.000 1.073 80 L CA 1.758 56.763 54.840 0.276 0.000 0.748 80 L CB -0.806 41.491 42.059 0.397 0.000 0.891 80 L HN 0.006 nan 8.230 nan 0.000 0.431 81 N N 0.200 119.083 118.700 0.305 0.000 2.104 81 N HA -0.208 4.533 4.740 0.000 0.000 0.190 81 N C 1.763 177.345 175.510 0.120 0.000 1.024 81 N CA 1.652 54.820 53.050 0.197 0.000 0.853 81 N CB -0.277 38.297 38.487 0.145 0.000 1.008 81 N HN 0.453 nan 8.380 nan 0.000 0.424 82 K N 0.361 120.825 120.400 0.107 0.000 2.147 82 K HA -0.025 4.295 4.320 0.000 0.000 0.205 82 K C 1.829 178.465 176.600 0.061 0.000 1.049 82 K CA 0.996 57.325 56.287 0.069 0.000 0.936 82 K CB -0.004 32.532 32.500 0.061 0.000 0.722 82 K HN 0.164 nan 8.250 nan 0.000 0.446 83 R N 0.157 120.706 120.500 0.081 0.000 2.280 83 R HA 0.020 4.360 4.340 0.000 0.000 0.195 83 R C 0.903 177.240 176.300 0.062 0.000 0.935 83 R CA 0.360 56.486 56.100 0.044 0.000 1.033 83 R CB 0.454 30.756 30.300 0.003 0.000 0.964 83 R HN 0.061 nan 8.270 nan 0.000 0.489 84 T N 0.512 115.153 114.554 0.146 0.000 2.909 84 T HA 0.111 4.461 4.350 0.000 0.000 0.286 84 T C 0.168 174.873 174.700 0.008 0.000 1.002 84 T CA -0.929 61.284 62.100 0.189 0.000 1.074 84 T CB 1.195 70.364 68.868 0.501 0.000 0.984 84 T HN 0.234 nan 8.240 nan 0.000 0.495 85 Q N 3.015 122.741 119.800 -0.123 0.000 2.523 85 Q HA 0.095 4.435 4.340 0.000 0.000 0.283 85 Q C -0.635 175.120 176.000 -0.408 0.000 1.140 85 Q CA -0.192 55.438 55.803 -0.289 0.000 0.981 85 Q CB 0.219 28.701 28.738 -0.427 0.000 1.310 85 Q HN 0.567 nan 8.270 nan 0.000 0.483 86 D N 0.499 120.708 120.400 -0.318 0.000 2.339 86 D HA 0.283 4.923 4.640 0.000 0.000 0.245 86 D C -0.720 175.315 176.300 -0.440 0.000 1.115 86 D CA 0.150 54.011 54.000 -0.232 0.000 0.917 86 D CB 0.468 41.218 40.800 -0.083 0.000 1.192 86 D HN 0.341 nan 8.370 nan 0.000 0.428 87 F N -0.160 119.749 119.950 -0.068 0.000 2.575 87 F HA 0.277 4.805 4.527 0.000 0.000 0.330 87 F C 0.551 176.392 175.800 0.068 0.000 1.056 87 F CA -1.220 56.762 58.000 -0.029 0.000 0.964 87 F CB 1.207 40.132 39.000 -0.126 0.000 1.258 87 F HN 0.268 nan 8.300 nan 0.000 0.484 88 W N 1.974 123.338 121.300 0.107 0.000 2.158 88 W HA 0.142 4.803 4.660 0.000 0.000 0.339 88 W C 0.053 176.593 176.519 0.036 0.000 1.294 88 W CA -0.403 56.968 57.345 0.044 0.000 1.231 88 W CB 0.738 30.213 29.460 0.026 0.000 1.143 88 W HN 0.493 nan 8.180 nan 0.000 0.571 89 E N 1.772 121.289 120.200 -1.139 0.000 2.481 89 E HA -0.071 4.279 4.350 0.000 0.000 0.263 89 E C 0.829 177.029 176.600 -0.667 0.000 0.992 89 E CA 0.204 56.041 56.400 -0.939 0.000 0.938 89 E CB 1.244 30.270 29.700 -1.124 0.000 0.933 89 E HN 0.316 nan 8.360 nan 0.000 0.453 90 V N 3.140 122.855 119.914 -0.332 0.000 2.270 90 V HA -0.158 3.962 4.120 0.000 0.000 0.245 90 V C 0.656 176.678 176.094 -0.120 0.000 1.043 90 V CA 1.492 63.691 62.300 -0.169 0.000 1.014 90 V CB -0.306 31.443 31.823 -0.124 0.000 0.645 90 V HN 0.589 nan 8.190 nan 0.000 0.447 91 Q N -1.348 118.376 119.800 -0.128 0.000 2.379 91 Q HA 0.332 4.672 4.340 0.000 0.000 0.278 91 Q C 0.121 176.091 176.000 -0.050 0.000 1.068 91 Q CA -0.654 55.127 55.803 -0.036 0.000 0.816 91 Q CB 2.328 31.093 28.738 0.045 0.000 1.387 91 Q HN 0.110 nan 8.270 nan 0.000 0.413 92 L N 0.724 121.953 121.223 0.010 0.000 2.376 92 L HA 0.183 4.523 4.340 0.000 0.000 0.219 92 L C 0.587 177.479 176.870 0.038 0.000 1.133 92 L CA 1.833 56.686 54.840 0.021 0.000 0.816 92 L CB -0.067 42.032 42.059 0.068 0.000 0.933 92 L HN 0.770 nan 8.230 nan 0.000 0.449 93 G N -2.018 106.821 108.800 0.066 0.000 2.490 93 G HA2 0.381 4.341 3.960 0.000 0.000 0.308 93 G HA3 0.381 4.341 3.960 0.000 0.000 0.308 93 G C -1.599 173.394 174.900 0.154 0.000 1.286 93 G CA -0.589 44.567 45.100 0.093 0.000 0.825 93 G HN -0.106 nan 8.290 nan 0.000 0.479 94 I N 1.136 121.812 120.570 0.176 0.000 2.608 94 I HA 0.360 4.530 4.170 0.000 0.000 0.295 94 I C -2.149 174.101 176.117 0.222 0.000 1.049 94 I CA -1.805 59.647 61.300 0.254 0.000 1.063 94 I CB 2.517 40.665 38.000 0.246 0.000 1.248 94 I HN 0.226 nan 8.210 nan 0.000 0.424 95 P HA 0.068 nan 4.420 nan 0.000 0.265 95 P C -0.816 176.509 177.300 0.042 0.000 1.193 95 P CA 0.180 63.355 63.100 0.126 0.000 0.765 95 P CB 0.261 31.952 31.700 -0.014 0.000 0.823 96 H N 4.257 123.218 119.070 -0.183 0.000 2.467 96 H HA 0.168 4.724 4.556 0.000 0.000 0.326 96 H C -1.670 173.324 175.328 -0.557 0.000 1.094 96 H CA -2.077 53.748 56.048 -0.373 0.000 1.253 96 H CB 1.573 31.103 29.762 -0.387 0.000 1.439 96 H HN 0.213 nan 8.280 nan 0.000 0.479 97 P HA -0.162 nan 4.420 nan 0.000 0.216 97 P C 1.145 178.109 177.300 -0.559 0.000 1.150 97 P CA 1.907 64.452 63.100 -0.924 0.000 0.843 97 P CB 0.050 30.820 31.700 -1.550 0.000 0.787 98 A N -0.379 122.185 122.820 -0.427 0.000 2.076 98 A HA -0.070 4.250 4.320 0.000 0.000 0.220 98 A C 2.332 180.113 177.584 0.328 0.000 1.160 98 A CA 1.871 54.011 52.037 0.173 0.000 0.653 98 A CB -1.655 17.565 19.000 0.366 0.000 0.801 98 A HN 0.330 nan 8.150 nan 0.000 0.455 99 G N -0.989 107.797 108.800 -0.023 0.000 2.880 99 G HA2 0.316 4.276 3.960 0.000 0.000 0.209 99 G HA3 0.316 4.276 3.960 0.000 0.000 0.209 99 G C 0.513 175.512 174.900 0.164 0.000 1.157 99 G CA -0.300 44.744 45.100 -0.093 0.000 0.779 99 G HN 0.408 nan 8.290 nan 0.000 0.539 100 L N 1.031 122.332 121.223 0.130 0.000 2.410 100 L HA 0.257 4.597 4.340 0.000 0.000 0.273 100 L C 0.044 177.028 176.870 0.190 0.000 1.152 100 L CA -0.337 54.545 54.840 0.069 0.000 0.855 100 L CB 0.931 42.860 42.059 -0.217 0.000 1.129 100 L HN -0.032 nan 8.230 nan 0.000 0.463 101 K N 3.273 123.765 120.400 0.153 0.000 2.276 101 K HA 0.181 4.501 4.320 0.000 0.000 0.283 101 K C -0.092 176.470 176.600 -0.063 0.000 1.044 101 K CA -0.517 55.838 56.287 0.113 0.000 0.944 101 K CB 0.747 33.311 32.500 0.108 0.000 1.012 101 K HN 0.306 nan 8.250 nan 0.000 0.472 102 K N 3.298 123.682 120.400 -0.028 0.000 2.447 102 K HA -0.022 4.298 4.320 0.000 0.000 0.281 102 K C -0.467 176.093 176.600 -0.067 0.000 1.031 102 K CA 0.354 56.586 56.287 -0.092 0.000 1.019 102 K CB 0.425 32.988 32.500 0.105 0.000 0.918 102 K HN 0.326 nan 8.250 nan 0.000 0.476 103 K N 3.518 123.858 120.400 -0.100 0.000 2.208 103 K HA 0.131 4.451 4.320 0.000 0.000 0.247 103 K C 0.557 177.120 176.600 -0.060 0.000 0.953 103 K CA -0.594 55.651 56.287 -0.069 0.000 0.837 103 K CB 1.497 33.949 32.500 -0.080 0.000 1.131 103 K HN 0.451 nan 8.250 nan 0.000 0.431 104 K N 0.668 121.031 120.400 -0.062 0.000 2.063 104 K HA -0.090 4.230 4.320 0.000 0.000 0.208 104 K C 0.028 176.576 176.600 -0.088 0.000 1.048 104 K CA 1.361 57.614 56.287 -0.057 0.000 0.928 104 K CB 0.213 32.683 32.500 -0.051 0.000 0.713 104 K HN 0.690 nan 8.250 nan 0.000 0.442 105 S N -0.662 114.927 115.700 -0.186 0.000 2.548 105 S HA 0.596 5.066 4.470 0.000 0.000 0.276 105 S C -0.992 173.400 174.600 -0.347 0.000 1.129 105 S CA -1.152 56.883 58.200 -0.275 0.000 0.931 105 S CB 2.424 65.383 63.200 -0.400 0.000 1.068 105 S HN -0.103 nan 8.310 nan 0.000 0.480 106 V N 1.755 121.634 119.914 -0.058 0.000 2.760 106 V HA 0.716 4.836 4.120 0.000 0.000 0.309 106 V C -0.611 175.647 176.094 0.273 0.000 1.077 106 V CA -0.392 61.969 62.300 0.103 0.000 0.910 106 V CB 2.428 34.313 31.823 0.105 0.000 1.008 106 V HN 1.072 nan 8.190 nan 0.000 0.424 107 T N 3.156 117.862 114.554 0.253 0.000 2.861 107 T HA 0.550 4.900 4.350 0.000 0.000 0.287 107 T C -0.625 174.086 174.700 0.018 0.000 1.003 107 T CA -0.433 61.772 62.100 0.175 0.000 0.977 107 T CB 1.865 70.830 68.868 0.161 0.000 0.996 107 T HN 0.345 nan 8.240 nan 0.000 0.448 108 V N 4.847 124.715 119.914 -0.076 0.000 2.406 108 V HA 0.419 4.539 4.120 0.000 0.000 0.272 108 V C -0.300 175.810 176.094 0.025 0.000 1.043 108 V CA -0.568 61.700 62.300 -0.053 0.000 0.915 108 V CB 0.651 32.353 31.823 -0.202 0.000 0.988 108 V HN 0.669 nan 8.190 nan 0.000 0.466 109 L N 5.952 127.186 121.223 0.018 0.000 2.319 109 L HA 0.531 4.871 4.340 0.000 0.000 0.281 109 L C -0.204 176.667 176.870 0.002 0.000 1.005 109 L CA -0.601 54.245 54.840 0.010 0.000 0.828 109 L CB 1.599 43.649 42.059 -0.014 0.000 1.227 109 L HN 0.676 nan 8.230 nan 0.000 0.415 110 D N 3.527 123.943 120.400 0.028 0.000 2.232 110 D HA 0.232 4.872 4.640 0.000 0.000 0.242 110 D C -0.103 176.205 176.300 0.013 0.000 1.093 110 D CA -0.521 53.492 54.000 0.021 0.000 0.845 110 D CB 2.425 43.246 40.800 0.035 0.000 1.124 110 D HN 0.056 nan 8.370 nan 0.000 0.467 111 V N 2.121 122.046 119.914 0.019 0.000 2.585 111 V HA 0.300 4.420 4.120 0.000 0.000 0.296 111 V C 1.379 177.467 176.094 -0.010 0.000 1.035 111 V CA -0.159 62.167 62.300 0.043 0.000 1.084 111 V CB 0.988 32.902 31.823 0.152 0.000 0.953 111 V HN 0.724 nan 8.190 nan 0.000 0.483 112 G N 2.742 111.545 108.800 0.005 0.000 2.390 112 G HA2 0.374 4.335 3.960 0.000 0.000 0.270 112 G HA3 0.374 4.335 3.960 0.000 0.000 0.270 112 G C -0.045 174.847 174.900 -0.015 0.000 1.211 112 G CA -0.343 44.747 45.100 -0.017 0.000 0.842 112 G HN 0.882 nan 8.290 nan 0.000 0.519 113 D N 0.705 121.067 120.400 -0.064 0.000 2.740 113 D HA -0.242 4.398 4.640 0.000 0.000 0.231 113 D C 1.642 177.907 176.300 -0.060 0.000 1.194 113 D CA 0.918 54.874 54.000 -0.074 0.000 0.673 113 D CB -1.049 39.784 40.800 0.056 0.000 0.995 113 D HN 0.650 nan 8.370 nan 0.000 0.411 114 A N -0.026 122.670 122.820 -0.206 0.000 1.869 114 A HA -0.269 4.051 4.320 0.000 0.000 0.218 114 A C 1.981 179.580 177.584 0.025 0.000 1.203 114 A CA 1.753 53.649 52.037 -0.234 0.000 0.638 114 A CB -0.857 17.608 19.000 -0.892 0.000 0.831 114 A HN 0.620 nan 8.150 nan 0.000 0.450 115 Y N -2.332 117.820 120.300 -0.247 0.000 2.200 115 Y HA -0.186 4.364 4.550 0.000 0.000 0.290 115 Y C 2.195 178.241 175.900 0.243 0.000 1.137 115 Y CA 0.520 58.594 58.100 -0.043 0.000 1.163 115 Y CB -0.243 38.120 38.460 -0.162 0.000 0.988 115 Y HN 0.315 nan 8.280 nan 0.000 0.518 116 F N -0.349 119.744 119.950 0.239 0.000 2.699 116 F HA -0.075 4.452 4.527 0.000 0.000 0.298 116 F C 1.837 177.743 175.800 0.176 0.000 1.154 116 F CA 0.318 58.440 58.000 0.203 0.000 1.457 116 F CB -0.776 38.321 39.000 0.161 0.000 1.106 116 F HN -0.146 nan 8.300 nan 0.000 0.585 117 S N -0.607 115.308 115.700 0.358 0.000 2.614 117 S HA 0.253 4.723 4.470 0.000 0.000 0.230 117 S C 0.286 175.049 174.600 0.272 0.000 0.952 117 S CA 0.019 58.384 58.200 0.274 0.000 0.949 117 S CB 0.060 63.405 63.200 0.242 0.000 0.786 117 S HN -0.104 nan 8.310 nan 0.000 0.478 118 V N 3.802 123.895 119.914 0.298 0.000 2.638 118 V HA 0.420 4.540 4.120 0.000 0.000 0.306 118 V C -2.583 173.637 176.094 0.210 0.000 1.052 118 V CA -2.262 60.184 62.300 0.245 0.000 0.885 118 V CB 2.351 34.340 31.823 0.276 0.000 0.999 118 V HN 0.024 nan 8.190 nan 0.000 0.424 119 P HA 0.270 nan 4.420 nan 0.000 0.275 119 P C -0.862 176.515 177.300 0.128 0.000 1.228 119 P CA -0.373 62.810 63.100 0.139 0.000 0.786 119 P CB 1.396 33.166 31.700 0.117 0.000 0.927 120 L N 2.488 123.783 121.223 0.120 0.000 2.325 120 L HA 0.347 4.688 4.340 0.000 0.000 0.279 120 L C 0.180 177.116 176.870 0.109 0.000 1.054 120 L CA -0.487 54.414 54.840 0.101 0.000 0.804 120 L CB 0.258 42.362 42.059 0.076 0.000 1.200 120 L HN 0.282 nan 8.230 nan 0.000 0.436 121 D N 2.792 123.264 120.400 0.120 0.000 2.662 121 D HA -0.122 4.518 4.640 0.000 0.000 0.233 121 D C 0.992 177.378 176.300 0.144 0.000 1.129 121 D CA 0.848 54.929 54.000 0.135 0.000 0.851 121 D CB 0.726 41.622 40.800 0.160 0.000 1.152 121 D HN 0.713 nan 8.370 nan 0.000 0.507 122 E N 2.281 122.543 120.200 0.103 0.000 2.118 122 E HA -0.187 4.163 4.350 0.000 0.000 0.195 122 E C 0.983 177.622 176.600 0.066 0.000 0.992 122 E CA 1.135 57.579 56.400 0.073 0.000 0.804 122 E CB 0.156 29.888 29.700 0.053 0.000 0.741 122 E HN 0.586 nan 8.360 nan 0.000 0.458 123 D N -0.476 119.984 120.400 0.100 0.000 2.310 123 D HA -0.118 4.522 4.640 0.000 0.000 0.212 123 D C 1.272 177.648 176.300 0.126 0.000 0.965 123 D CA 0.707 54.766 54.000 0.097 0.000 0.879 123 D CB -0.001 40.878 40.800 0.132 0.000 0.921 123 D HN 0.167 nan 8.370 nan 0.000 0.510 124 F N 0.913 120.880 119.950 0.028 0.000 2.678 124 F HA 0.155 4.682 4.527 0.000 0.000 0.291 124 F C 2.150 177.923 175.800 -0.045 0.000 1.123 124 F CA -0.131 57.921 58.000 0.087 0.000 1.395 124 F CB 0.344 39.420 39.000 0.127 0.000 1.121 124 F HN -0.301 nan 8.300 nan 0.000 0.592 125 R N 1.183 121.679 120.500 -0.008 0.000 2.119 125 R HA -0.252 4.088 4.340 0.000 0.000 0.246 125 R C 2.114 178.328 176.300 -0.145 0.000 1.146 125 R CA 2.295 58.370 56.100 -0.042 0.000 0.962 125 R CB -0.566 29.743 30.300 0.016 0.000 0.863 125 R HN 0.367 nan 8.270 nan 0.000 0.442 126 K N -0.332 119.911 120.400 -0.263 0.000 2.160 126 K HA -0.203 4.117 4.320 0.000 0.000 0.206 126 K C 1.375 177.825 176.600 -0.250 0.000 1.047 126 K CA 1.810 57.953 56.287 -0.240 0.000 0.930 126 K CB -0.494 31.847 32.500 -0.266 0.000 0.720 126 K HN 0.217 nan 8.250 nan 0.000 0.450 127 Y N 2.334 122.410 120.300 -0.374 0.000 2.574 127 Y HA -0.069 4.482 4.550 0.000 0.000 0.294 127 Y C 2.086 177.864 175.900 -0.203 0.000 1.142 127 Y CA 1.148 58.924 58.100 -0.541 0.000 1.314 127 Y CB -0.596 37.269 38.460 -0.993 0.000 0.991 127 Y HN 0.332 nan 8.280 nan 0.000 0.555 128 T N -2.435 112.142 114.554 0.037 0.000 3.206 128 T HA 0.523 4.873 4.350 0.000 0.000 0.253 128 T C 0.747 175.724 174.700 0.463 0.000 1.042 128 T CA -0.071 62.204 62.100 0.291 0.000 0.931 128 T CB -0.639 68.384 68.868 0.258 0.000 1.029 128 T HN 0.198 nan 8.240 nan 0.000 0.564 129 A N 1.896 124.894 122.820 0.297 0.000 2.511 129 A HA 0.548 4.868 4.320 0.000 0.000 0.242 129 A C -0.061 177.717 177.584 0.323 0.000 1.069 129 A CA -0.476 51.688 52.037 0.212 0.000 0.763 129 A CB -0.521 18.566 19.000 0.144 0.000 1.001 129 A HN 0.766 nan 8.150 nan 0.000 0.498 130 F N -0.578 119.481 119.950 0.181 0.000 2.629 130 F HA 0.811 5.338 4.527 0.000 0.000 0.316 130 F C -0.348 175.535 175.800 0.138 0.000 1.081 130 F CA -0.915 57.174 58.000 0.148 0.000 0.954 130 F CB 1.486 40.571 39.000 0.141 0.000 1.337 130 F HN 0.273 nan 8.300 nan 0.000 0.474 131 T N 3.046 117.751 114.554 0.252 0.000 2.847 131 T HA 0.503 4.854 4.350 0.000 0.000 0.291 131 T C -0.339 174.487 174.700 0.210 0.000 0.998 131 T CA -0.367 61.812 62.100 0.131 0.000 0.967 131 T CB 0.924 69.841 68.868 0.081 0.000 0.954 131 T HN 0.562 nan 8.240 nan 0.000 0.441 132 I N 6.585 127.272 120.570 0.195 0.000 2.421 132 I HA 0.212 4.382 4.170 0.000 0.000 0.291 132 I C -1.812 174.353 176.117 0.079 0.000 1.089 132 I CA -1.976 59.421 61.300 0.161 0.000 1.354 132 I CB 0.501 38.602 38.000 0.169 0.000 1.413 132 I HN 0.280 nan 8.210 nan 0.000 0.513 133 P HA 0.111 nan 4.420 nan 0.000 0.277 133 P C -0.330 176.971 177.300 0.001 0.000 1.240 133 P CA -0.395 62.719 63.100 0.024 0.000 0.798 133 P CB 1.021 32.733 31.700 0.019 0.000 0.979 134 S N 2.084 117.774 115.700 -0.017 0.000 2.614 134 S HA 0.293 4.764 4.470 0.000 0.000 0.265 134 S C 0.675 175.255 174.600 -0.033 0.000 1.303 134 S CA -0.759 57.426 58.200 -0.025 0.000 1.000 134 S CB -0.171 63.011 63.200 -0.030 0.000 0.935 134 S HN 0.316 nan 8.310 nan 0.000 0.551 135 I N 2.416 122.966 120.570 -0.033 0.000 2.741 135 I HA -0.050 4.120 4.170 0.000 0.000 0.288 135 I C 0.562 176.652 176.117 -0.045 0.000 1.192 135 I CA 0.271 61.549 61.300 -0.037 0.000 1.426 135 I CB -0.533 37.449 38.000 -0.031 0.000 1.367 135 I HN 0.693 nan 8.210 nan 0.000 0.563 136 N N 5.057 123.724 118.700 -0.056 0.000 2.708 136 N HA -0.279 4.461 4.740 0.000 0.000 0.249 136 N C 0.303 175.762 175.510 -0.084 0.000 1.097 136 N CA 1.187 54.192 53.050 -0.075 0.000 0.710 136 N CB -1.529 36.923 38.487 -0.058 0.000 1.032 136 N HN 0.833 nan 8.380 nan 0.000 0.551 137 N N -0.536 118.115 118.700 -0.081 0.000 2.677 137 N HA -0.261 4.479 4.740 0.000 0.000 0.249 137 N C 0.869 176.343 175.510 -0.059 0.000 1.073 137 N CA 0.981 53.987 53.050 -0.073 0.000 0.737 137 N CB 0.051 38.479 38.487 -0.098 0.000 0.999 137 N HN 0.425 nan 8.380 nan 0.000 0.543 138 E N -0.892 119.278 120.200 -0.051 0.000 2.047 138 E HA -0.090 4.260 4.350 0.000 0.000 0.191 138 E C 1.134 177.711 176.600 -0.038 0.000 0.987 138 E CA 1.612 57.986 56.400 -0.043 0.000 0.799 138 E CB -0.019 29.658 29.700 -0.037 0.000 0.752 138 E HN 0.600 nan 8.360 nan 0.000 0.449 139 T N -0.376 114.156 114.554 -0.037 0.000 2.950 139 T HA 0.458 4.808 4.350 0.000 0.000 0.288 139 T C -2.800 171.878 174.700 -0.038 0.000 1.035 139 T CA -2.450 59.629 62.100 -0.036 0.000 1.028 139 T CB 1.573 70.420 68.868 -0.034 0.000 1.109 139 T HN -0.292 nan 8.240 nan 0.000 0.514 140 P HA 0.207 nan 4.420 nan 0.000 0.261 140 P C 0.662 177.935 177.300 -0.045 0.000 1.173 140 P CA 0.264 63.337 63.100 -0.044 0.000 0.760 140 P CB -0.071 31.598 31.700 -0.052 0.000 0.783 141 G N 2.856 111.632 108.800 -0.039 0.000 2.651 141 G HA2 0.330 4.291 3.960 0.000 0.000 0.260 141 G HA3 0.330 4.291 3.960 0.000 0.000 0.260 141 G C -0.285 174.578 174.900 -0.063 0.000 1.216 141 G CA -0.677 44.404 45.100 -0.031 0.000 0.913 141 G HN 0.428 nan 8.290 nan 0.000 0.535 142 I N 0.718 121.255 120.570 -0.056 0.000 2.395 142 I HA 0.290 4.460 4.170 0.000 0.000 0.289 142 I C 0.431 176.425 176.117 -0.205 0.000 1.023 142 I CA -0.303 60.911 61.300 -0.142 0.000 1.350 142 I CB 1.024 38.974 38.000 -0.084 0.000 1.409 142 I HN 0.154 nan 8.210 nan 0.000 0.507 143 R N 6.089 126.362 120.500 -0.379 0.000 2.445 143 R HA 0.573 4.913 4.340 0.000 0.000 0.308 143 R C -1.428 174.483 176.300 -0.649 0.000 0.961 143 R CA -0.840 55.032 56.100 -0.379 0.000 0.862 143 R CB 1.870 32.016 30.300 -0.257 0.000 1.144 143 R HN 0.477 nan 8.270 nan 0.000 0.447 144 Y N 0.347 120.282 120.300 -0.608 0.000 2.605 144 Y HA 0.288 4.839 4.550 0.000 0.000 0.343 144 Y C 0.109 175.649 175.900 -0.601 0.000 1.036 144 Y CA -0.850 56.846 58.100 -0.672 0.000 1.065 144 Y CB 2.402 40.282 38.460 -0.967 0.000 1.288 144 Y HN 0.447 nan 8.280 nan 0.000 0.481 145 Q N 0.082 119.811 119.800 -0.117 0.000 2.421 145 Q HA 0.490 4.830 4.340 0.000 0.000 0.280 145 Q C -2.053 174.003 176.000 0.092 0.000 1.085 145 Q CA -1.113 54.719 55.803 0.049 0.000 0.807 145 Q CB 2.059 30.816 28.738 0.031 0.000 1.405 145 Q HN 0.660 nan 8.270 nan 0.000 0.419 146 Y N 1.580 121.992 120.300 0.186 0.000 2.411 146 Y HA 0.096 4.647 4.550 0.000 0.000 0.333 146 Y C 0.928 176.861 175.900 0.056 0.000 1.186 146 Y CA 0.481 58.659 58.100 0.130 0.000 1.381 146 Y CB 0.778 39.321 38.460 0.138 0.000 1.273 146 Y HN 0.727 nan 8.280 nan 0.000 0.546 147 N N 1.245 120.029 118.700 0.140 0.000 2.220 147 N HA 0.079 4.819 4.740 0.000 0.000 0.195 147 N C -0.559 175.038 175.510 0.145 0.000 1.123 147 N CA 0.410 53.525 53.050 0.109 0.000 0.874 147 N CB 0.746 39.265 38.487 0.053 0.000 0.995 147 N HN 0.382 nan 8.380 nan 0.000 0.498 148 V N -2.619 117.430 119.914 0.225 0.000 3.158 148 V HA 0.529 4.649 4.120 0.000 0.000 0.311 148 V C -0.097 176.167 176.094 0.283 0.000 1.181 148 V CA -1.190 61.263 62.300 0.256 0.000 1.054 148 V CB 1.590 33.583 31.823 0.282 0.000 1.085 148 V HN -0.166 nan 8.190 nan 0.000 0.446 149 L N 2.483 123.874 121.223 0.279 0.000 2.530 149 L HA 0.336 4.676 4.340 0.000 0.000 0.273 149 L C -2.221 174.793 176.870 0.240 0.000 1.141 149 L CA -1.095 53.856 54.840 0.186 0.000 0.905 149 L CB 0.165 42.292 42.059 0.113 0.000 1.202 149 L HN 0.490 nan 8.230 nan 0.000 0.473 150 P HA 0.086 nan 4.420 nan 0.000 0.275 150 P C -0.672 176.731 177.300 0.172 0.000 1.228 150 P CA -0.604 62.431 63.100 -0.108 0.000 0.786 150 P CB 0.593 31.894 31.700 -0.665 0.000 0.927 151 Q N 1.485 121.464 119.800 0.298 0.000 2.289 151 Q HA 0.375 4.715 4.340 0.000 0.000 0.273 151 Q C 1.284 177.466 176.000 0.303 0.000 1.029 151 Q CA 1.792 57.756 55.803 0.268 0.000 0.896 151 Q CB -0.668 28.152 28.738 0.137 0.000 1.182 151 Q HN 0.779 nan 8.270 nan 0.000 0.385 152 G N 2.755 111.705 108.800 0.250 0.000 2.175 152 G HA2 -0.273 3.688 3.960 0.000 0.000 0.244 152 G HA3 -0.273 3.688 3.960 0.000 0.000 0.244 152 G C -0.621 174.432 174.900 0.256 0.000 0.982 152 G CA -0.005 45.245 45.100 0.249 0.000 0.641 152 G HN 0.629 nan 8.290 nan 0.000 0.527 153 W N 1.856 123.096 121.300 -0.100 0.000 2.365 153 W HA 0.646 5.306 4.660 0.000 0.000 0.316 153 W C 1.250 177.627 176.519 -0.236 0.000 1.164 153 W CA -0.674 56.495 57.345 -0.294 0.000 1.204 153 W CB 0.976 30.061 29.460 -0.626 0.000 1.213 153 W HN 0.040 nan 8.180 nan 0.000 0.539 154 K N 2.820 122.677 120.400 -0.904 0.000 2.127 154 K HA -0.175 4.145 4.320 0.000 0.000 0.208 154 K C 1.729 177.587 176.600 -1.236 0.000 1.047 154 K CA 2.016 57.813 56.287 -0.816 0.000 0.927 154 K CB -0.528 31.663 32.500 -0.514 0.000 0.716 154 K HN 0.776 nan 8.250 nan 0.000 0.450 155 G N -0.643 106.745 108.800 -2.354 0.000 2.623 155 G HA2 -0.093 3.867 3.960 0.000 0.000 0.214 155 G HA3 -0.093 3.867 3.960 0.000 0.000 0.214 155 G C 1.274 175.367 174.900 -1.344 0.000 1.138 155 G CA 0.333 43.930 45.100 -2.506 0.000 0.794 155 G HN 0.247 nan 8.290 nan 0.000 0.535 156 S N 1.672 116.838 115.700 -0.889 0.000 2.356 156 S HA -0.066 4.404 4.470 0.000 0.000 0.223 156 S C 0.046 174.195 174.600 -0.751 0.000 1.032 156 S CA 1.378 59.158 58.200 -0.699 0.000 1.005 156 S CB -0.703 61.940 63.200 -0.928 0.000 0.867 156 S HN 0.306 nan 8.310 nan 0.000 0.449 157 P HA -0.003 nan 4.420 nan 0.000 0.216 157 P C 1.398 178.597 177.300 -0.169 0.000 1.153 157 P CA 1.397 64.354 63.100 -0.239 0.000 0.848 157 P CB -0.111 31.486 31.700 -0.171 0.000 0.787 158 A N -0.730 121.898 122.820 -0.320 0.000 1.872 158 A HA -0.127 4.193 4.320 0.000 0.000 0.214 158 A C 2.238 179.726 177.584 -0.159 0.000 1.187 158 A CA 1.307 53.209 52.037 -0.226 0.000 0.614 158 A CB -1.576 17.250 19.000 -0.291 0.000 0.826 158 A HN 0.080 nan 8.150 nan 0.000 0.442 159 I N -1.737 118.687 120.570 -0.243 0.000 2.226 159 I HA -0.229 3.941 4.170 0.000 0.000 0.245 159 I C 2.339 178.429 176.117 -0.046 0.000 1.100 159 I CA 1.526 62.759 61.300 -0.112 0.000 1.374 159 I CB -0.344 37.605 38.000 -0.085 0.000 1.057 159 I HN 0.442 nan 8.210 nan 0.000 0.413 160 F N 1.622 121.488 119.950 -0.138 0.000 2.065 160 F HA -0.343 4.184 4.527 0.000 0.000 0.298 160 F C 2.742 178.524 175.800 -0.029 0.000 1.112 160 F CA 2.292 60.267 58.000 -0.042 0.000 1.212 160 F CB -0.553 38.472 39.000 0.041 0.000 0.975 160 F HN 0.065 nan 8.300 nan 0.000 0.476 161 Q N 0.191 119.992 119.800 0.002 0.000 2.077 161 Q HA -0.261 4.079 4.340 0.000 0.000 0.206 161 Q C 2.306 178.205 176.000 -0.169 0.000 0.989 161 Q CA 2.776 58.536 55.803 -0.071 0.000 0.853 161 Q CB -0.439 28.309 28.738 0.017 0.000 0.907 161 Q HN 0.558 nan 8.270 nan 0.000 0.418 162 S N -0.824 114.806 115.700 -0.117 0.000 2.453 162 S HA -0.035 4.435 4.470 0.000 0.000 0.231 162 S C 1.984 176.486 174.600 -0.163 0.000 1.005 162 S CA 1.077 59.216 58.200 -0.102 0.000 0.949 162 S CB -0.068 63.108 63.200 -0.040 0.000 0.774 162 S HN 0.319 nan 8.310 nan 0.000 0.510 163 S N 1.683 117.245 115.700 -0.230 0.000 2.368 163 S HA 0.023 4.493 4.470 0.000 0.000 0.224 163 S C 1.792 176.191 174.600 -0.336 0.000 1.029 163 S CA 1.489 59.533 58.200 -0.260 0.000 0.988 163 S CB -0.462 62.594 63.200 -0.240 0.000 0.838 163 S HN 0.583 nan 8.310 nan 0.000 0.462 164 M N 1.997 121.320 119.600 -0.461 0.000 2.175 164 M HA -0.066 4.414 4.480 0.000 0.000 0.264 164 M C 1.914 178.073 176.300 -0.236 0.000 1.063 164 M CA 1.594 56.661 55.300 -0.388 0.000 1.119 164 M CB -1.248 31.061 32.600 -0.485 0.000 1.377 164 M HN 0.161 nan 8.290 nan 0.000 0.415 165 T N 0.616 115.054 114.554 -0.195 0.000 2.652 165 T HA -0.183 4.167 4.350 0.000 0.000 0.267 165 T C 1.822 176.442 174.700 -0.134 0.000 1.039 165 T CA 1.951 63.975 62.100 -0.127 0.000 1.153 165 T CB -0.258 68.558 68.868 -0.088 0.000 0.863 165 T HN 0.427 nan 8.240 nan 0.000 0.428 166 K N 0.427 120.726 120.400 -0.169 0.000 2.044 166 K HA -0.047 4.273 4.320 0.000 0.000 0.210 166 K C 2.248 178.690 176.600 -0.264 0.000 1.049 166 K CA 1.393 57.561 56.287 -0.197 0.000 0.927 166 K CB -0.392 31.971 32.500 -0.228 0.000 0.713 166 K HN 0.311 nan 8.250 nan 0.000 0.443 167 I N 0.927 121.286 120.570 -0.351 0.000 2.226 167 I HA -0.290 3.880 4.170 0.000 0.000 0.245 167 I C 2.115 178.196 176.117 -0.061 0.000 1.100 167 I CA 1.182 62.215 61.300 -0.444 0.000 1.374 167 I CB -0.142 37.581 38.000 -0.462 0.000 1.057 167 I HN 0.152 nan 8.210 nan 0.000 0.413 168 L N 0.239 121.431 121.223 -0.052 0.000 2.217 168 L HA -0.183 4.157 4.340 0.000 0.000 0.211 168 L C 2.497 179.385 176.870 0.030 0.000 1.107 168 L CA 0.933 55.786 54.840 0.020 0.000 0.783 168 L CB -0.500 41.539 42.059 -0.033 0.000 0.919 168 L HN 0.328 nan 8.230 nan 0.000 0.442 169 E N 0.908 121.097 120.200 -0.018 0.000 2.048 169 E HA -0.253 4.097 4.350 0.000 0.000 0.202 169 E C -0.614 175.985 176.600 -0.002 0.000 1.021 169 E CA 2.159 58.548 56.400 -0.018 0.000 0.825 169 E CB -0.703 28.971 29.700 -0.044 0.000 0.756 169 E HN 0.299 nan 8.360 nan 0.000 0.454 170 P HA -0.181 nan 4.420 nan 0.000 0.215 170 P C 1.384 178.647 177.300 -0.062 0.000 1.153 170 P CA 1.205 64.302 63.100 -0.005 0.000 0.853 170 P CB -0.335 31.405 31.700 0.068 0.000 0.788 171 F N 1.200 120.979 119.950 -0.284 0.000 2.216 171 F HA -0.101 4.426 4.527 0.000 0.000 0.300 171 F C 2.413 178.127 175.800 -0.144 0.000 1.085 171 F CA 1.324 59.143 58.000 -0.301 0.000 1.326 171 F CB -0.290 38.456 39.000 -0.423 0.000 1.027 171 F HN -0.261 nan 8.300 nan 0.000 0.497 172 R N 0.125 120.684 120.500 0.098 0.000 2.073 172 R HA -0.092 4.248 4.340 0.000 0.000 0.229 172 R C 2.238 178.513 176.300 -0.042 0.000 1.120 172 R CA 1.314 57.443 56.100 0.049 0.000 0.967 172 R CB -0.334 29.991 30.300 0.041 0.000 0.862 172 R HN 0.216 nan 8.270 nan 0.000 0.436 173 K N 0.419 120.787 120.400 -0.053 0.000 2.063 173 K HA -0.146 4.174 4.320 0.000 0.000 0.208 173 K C 2.055 178.598 176.600 -0.095 0.000 1.048 173 K CA 1.122 57.373 56.287 -0.061 0.000 0.928 173 K CB 0.052 32.525 32.500 -0.045 0.000 0.713 173 K HN 0.158 nan 8.250 nan 0.000 0.442 174 Q N 0.180 119.886 119.800 -0.157 0.000 2.378 174 Q HA 0.001 4.341 4.340 0.000 0.000 0.205 174 Q C 0.058 175.921 176.000 -0.228 0.000 0.954 174 Q CA 0.764 56.450 55.803 -0.195 0.000 0.901 174 Q CB 0.264 28.850 28.738 -0.253 0.000 0.981 174 Q HN 0.262 nan 8.270 nan 0.000 0.483 175 N N 0.448 119.000 118.700 -0.246 0.000 2.672 175 N HA 0.134 4.874 4.740 0.000 0.000 0.295 175 N C -2.204 173.261 175.510 -0.076 0.000 1.924 175 N CA -0.957 51.974 53.050 -0.198 0.000 0.851 175 N CB 1.087 39.367 38.487 -0.346 0.000 1.281 175 N HN 0.041 nan 8.380 nan 0.000 0.494 176 P HA -0.064 nan 4.420 nan 0.000 0.234 176 P C 0.189 177.486 177.300 -0.005 0.000 1.167 176 P CA 1.094 64.179 63.100 -0.025 0.000 0.763 176 P CB 0.231 31.914 31.700 -0.028 0.000 0.835 177 D N -1.495 118.906 120.400 0.001 0.000 2.479 177 D HA 0.049 4.689 4.640 0.000 0.000 0.218 177 D C 0.297 176.621 176.300 0.040 0.000 1.177 177 D CA -0.376 53.634 54.000 0.016 0.000 0.830 177 D CB -0.239 40.566 40.800 0.010 0.000 1.014 177 D HN -0.026 nan 8.370 nan 0.000 0.503 178 I N 1.519 122.126 120.570 0.062 0.000 2.365 178 I HA 0.237 4.407 4.170 0.000 0.000 0.291 178 I C 0.218 176.391 176.117 0.093 0.000 1.004 178 I CA -0.978 60.388 61.300 0.110 0.000 1.311 178 I CB 1.570 39.681 38.000 0.185 0.000 1.401 178 I HN -0.155 nan 8.210 nan 0.000 0.491 179 V N 7.847 127.817 119.914 0.094 0.000 2.406 179 V HA 0.339 4.459 4.120 0.000 0.000 0.272 179 V C 0.349 176.502 176.094 0.098 0.000 1.043 179 V CA -0.315 62.027 62.300 0.070 0.000 0.915 179 V CB 1.266 33.152 31.823 0.105 0.000 0.988 179 V HN 0.420 nan 8.190 nan 0.000 0.466 180 I N 5.660 126.248 120.570 0.029 0.000 2.420 180 I HA 0.367 4.537 4.170 0.000 0.000 0.282 180 I C -0.994 175.108 176.117 -0.025 0.000 1.019 180 I CA -0.548 60.775 61.300 0.038 0.000 1.130 180 I CB 1.154 39.158 38.000 0.007 0.000 1.262 180 I HN 0.469 nan 8.210 nan 0.000 0.454 181 Y N 4.955 125.260 120.300 0.008 0.000 2.365 181 Y HA 0.256 4.807 4.550 0.000 0.000 0.340 181 Y C 0.488 176.343 175.900 -0.075 0.000 1.016 181 Y CA -0.119 57.994 58.100 0.021 0.000 1.196 181 Y CB 0.926 39.462 38.460 0.127 0.000 1.167 181 Y HN 0.471 nan 8.280 nan 0.000 0.509 182 Q N 3.569 123.426 119.800 0.094 0.000 2.274 182 Q HA 0.286 4.626 4.340 0.000 0.000 0.256 182 Q C -1.571 174.540 176.000 0.185 0.000 0.927 182 Q CA -0.599 55.232 55.803 0.047 0.000 0.939 182 Q CB 1.469 30.222 28.738 0.026 0.000 1.201 182 Q HN 0.662 nan 8.270 nan 0.000 0.426 183 Y N 4.275 124.565 120.300 -0.018 0.000 2.287 183 Y HA 0.208 4.758 4.550 0.000 0.000 0.325 183 Y C -0.070 175.892 175.900 0.103 0.000 1.139 183 Y CA -0.373 57.805 58.100 0.129 0.000 1.167 183 Y CB 0.489 39.168 38.460 0.366 0.000 1.158 183 Y HN 0.878 nan 8.280 nan 0.000 0.434 184 M N 1.408 120.773 119.600 -0.392 0.000 7.319 184 M HA -0.409 4.071 4.480 0.000 0.000 0.312 184 M C 0.159 176.428 176.300 -0.051 0.000 0.480 184 M CA 2.265 57.401 55.300 -0.273 0.000 1.311 184 M CB -0.874 31.466 32.600 -0.433 0.000 0.421 184 M HN 0.638 nan 8.290 nan 0.000 0.740 185 D N 0.895 121.222 120.400 -0.122 0.000 2.349 185 D HA 0.155 4.796 4.640 0.000 0.000 0.224 185 D C -0.359 175.943 176.300 0.002 0.000 1.029 185 D CA 0.669 54.596 54.000 -0.121 0.000 0.879 185 D CB -0.195 40.471 40.800 -0.223 0.000 0.906 185 D HN 0.277 nan 8.370 nan 0.000 0.528 186 D N -0.039 120.354 120.400 -0.012 0.000 2.272 186 D HA 0.437 5.077 4.640 0.000 0.000 0.247 186 D C -0.556 175.547 176.300 -0.329 0.000 0.990 186 D CA -0.493 53.423 54.000 -0.140 0.000 0.931 186 D CB 1.950 42.676 40.800 -0.123 0.000 1.195 186 D HN -0.194 nan 8.370 nan 0.000 0.477 187 L N 1.747 122.724 121.223 -0.411 0.000 2.409 187 L HA 0.395 4.735 4.340 0.000 0.000 0.272 187 L C -1.500 175.129 176.870 -0.401 0.000 0.980 187 L CA -0.685 53.943 54.840 -0.354 0.000 0.826 187 L CB 1.288 43.261 42.059 -0.144 0.000 1.268 187 L HN 0.348 nan 8.230 nan 0.000 0.407 188 Y N 3.486 123.786 120.300 0.001 0.000 2.341 188 Y HA 0.736 5.286 4.550 0.000 0.000 0.338 188 Y C -0.274 175.632 175.900 0.010 0.000 0.965 188 Y CA -1.322 56.726 58.100 -0.086 0.000 1.108 188 Y CB 1.905 40.223 38.460 -0.237 0.000 1.180 188 Y HN 0.182 nan 8.280 nan 0.000 0.458 189 V N 2.476 122.479 119.914 0.148 0.000 2.531 189 V HA 0.861 4.981 4.120 0.000 0.000 0.301 189 V C -0.020 176.197 176.094 0.205 0.000 1.034 189 V CA -0.738 61.658 62.300 0.160 0.000 0.865 189 V CB 1.666 33.560 31.823 0.120 0.000 0.995 189 V HN 0.949 nan 8.190 nan 0.000 0.424 190 G N 2.312 111.218 108.800 0.178 0.000 2.662 190 G HA2 0.751 4.711 3.960 0.000 0.000 0.302 190 G HA3 0.751 4.711 3.960 0.000 0.000 0.302 190 G C -0.741 174.200 174.900 0.068 0.000 1.389 190 G CA -0.210 44.944 45.100 0.090 0.000 0.998 190 G HN 1.008 nan 8.290 nan 0.000 0.502 191 S N 0.008 115.673 115.700 -0.059 0.000 2.618 191 S HA 0.551 5.021 4.470 0.000 0.000 0.277 191 S C -0.907 173.643 174.600 -0.084 0.000 1.138 191 S CA -0.794 57.392 58.200 -0.024 0.000 0.844 191 S CB 2.507 65.760 63.200 0.087 0.000 1.127 191 S HN 0.281 nan 8.310 nan 0.000 0.474 192 D N 1.045 121.428 120.400 -0.029 0.000 2.427 192 D HA 0.322 4.962 4.640 0.000 0.000 0.224 192 D C 0.022 176.314 176.300 -0.014 0.000 1.157 192 D CA 0.056 54.038 54.000 -0.029 0.000 0.828 192 D CB -0.024 40.769 40.800 -0.012 0.000 0.974 192 D HN 0.438 nan 8.370 nan 0.000 0.498 193 L N 0.684 121.905 121.223 -0.003 0.000 2.418 193 L HA 0.179 4.520 4.340 0.000 0.000 0.265 193 L C 1.034 177.919 176.870 0.025 0.000 1.143 193 L CA -0.625 54.235 54.840 0.034 0.000 0.809 193 L CB 0.716 42.833 42.059 0.095 0.000 1.124 193 L HN -0.245 nan 8.230 nan 0.000 0.456 194 E N 0.766 120.989 120.200 0.037 0.000 2.418 194 E HA -0.008 4.342 4.350 0.000 0.000 0.261 194 E C 0.914 177.555 176.600 0.069 0.000 1.070 194 E CA 0.358 56.781 56.400 0.038 0.000 0.931 194 E CB 0.611 30.331 29.700 0.034 0.000 0.954 194 E HN 0.406 nan 8.360 nan 0.000 0.439 195 I N 1.799 122.407 120.570 0.064 0.000 2.121 195 I HA -0.369 3.801 4.170 0.000 0.000 0.243 195 I C 1.748 177.938 176.117 0.123 0.000 1.047 195 I CA 2.248 63.606 61.300 0.097 0.000 1.308 195 I CB -0.229 37.814 38.000 0.072 0.000 1.015 195 I HN 0.732 nan 8.210 nan 0.000 0.410 196 G N -1.256 107.595 108.800 0.085 0.000 2.422 196 G HA2 -0.234 3.726 3.960 0.000 0.000 0.218 196 G HA3 -0.234 3.726 3.960 0.000 0.000 0.218 196 G C 1.489 176.436 174.900 0.078 0.000 1.140 196 G CA 0.392 45.536 45.100 0.073 0.000 0.775 196 G HN 0.462 nan 8.290 nan 0.000 0.545 197 Q N -0.980 118.872 119.800 0.087 0.000 2.167 197 Q HA -0.088 4.252 4.340 0.000 0.000 0.202 197 Q C 2.164 178.242 176.000 0.130 0.000 0.970 197 Q CA 0.994 56.850 55.803 0.089 0.000 0.855 197 Q CB -0.193 28.591 28.738 0.078 0.000 0.911 197 Q HN 0.722 nan 8.270 nan 0.000 0.438 198 H N 0.581 119.681 119.070 0.050 0.000 2.317 198 H HA 0.026 4.582 4.556 0.000 0.000 0.304 198 H C 1.912 177.282 175.328 0.069 0.000 1.067 198 H CA 0.903 56.989 56.048 0.062 0.000 1.352 198 H CB 0.318 30.116 29.762 0.058 0.000 1.398 198 H HN 0.086 nan 8.280 nan 0.000 0.510 199 R N -0.304 120.199 120.500 0.005 0.000 2.153 199 R HA -0.135 4.205 4.340 0.000 0.000 0.252 199 R C 2.268 178.550 176.300 -0.030 0.000 1.158 199 R CA 2.048 58.124 56.100 -0.040 0.000 0.975 199 R CB -0.277 30.045 30.300 0.036 0.000 0.871 199 R HN 0.330 nan 8.270 nan 0.000 0.450 200 T N 0.237 114.796 114.554 0.010 0.000 2.937 200 T HA -0.049 4.301 4.350 0.000 0.000 0.260 200 T C 1.628 176.354 174.700 0.042 0.000 1.051 200 T CA 0.930 63.047 62.100 0.029 0.000 1.141 200 T CB 0.040 68.933 68.868 0.041 0.000 0.879 200 T HN 0.053 nan 8.240 nan 0.000 0.459 201 K N 1.046 121.472 120.400 0.043 0.000 2.148 201 K HA 0.067 4.388 4.320 0.000 0.000 0.204 201 K C 1.916 178.580 176.600 0.107 0.000 1.050 201 K CA 0.817 57.165 56.287 0.103 0.000 0.942 201 K CB -0.353 32.221 32.500 0.124 0.000 0.724 201 K HN 0.184 nan 8.250 nan 0.000 0.446 202 I N 0.981 121.518 120.570 -0.055 0.000 2.252 202 I HA -0.166 4.004 4.170 0.000 0.000 0.245 202 I C 1.821 177.926 176.117 -0.020 0.000 1.102 202 I CA 1.216 62.460 61.300 -0.093 0.000 1.385 202 I CB -0.944 36.926 38.000 -0.216 0.000 1.064 202 I HN 0.187 nan 8.210 nan 0.000 0.414 203 E N 1.101 121.304 120.200 0.005 0.000 2.085 203 E HA -0.239 4.111 4.350 0.000 0.000 0.194 203 E C 2.033 178.679 176.600 0.077 0.000 0.994 203 E CA 1.499 57.920 56.400 0.035 0.000 0.801 203 E CB -0.305 29.417 29.700 0.036 0.000 0.743 203 E HN 0.692 nan 8.360 nan 0.000 0.453 204 E N -0.040 120.238 120.200 0.130 0.000 2.285 204 E HA -0.125 4.226 4.350 0.000 0.000 0.194 204 E C 2.031 178.821 176.600 0.317 0.000 0.997 204 E CA 0.448 56.979 56.400 0.218 0.000 0.845 204 E CB -0.254 29.582 29.700 0.227 0.000 0.782 204 E HN 0.156 nan 8.360 nan 0.000 0.491 205 L N 1.763 123.079 121.223 0.155 0.000 2.005 205 L HA -0.050 4.290 4.340 0.000 0.000 0.207 205 L C 2.434 179.244 176.870 -0.101 0.000 1.072 205 L CA 1.672 56.312 54.840 -0.333 0.000 0.744 205 L CB -0.466 41.227 42.059 -0.611 0.000 0.895 205 L HN -0.056 nan 8.230 nan 0.000 0.433 206 R N -0.928 119.547 120.500 -0.042 0.000 2.119 206 R HA -0.212 4.128 4.340 0.000 0.000 0.246 206 R C 2.300 178.624 176.300 0.040 0.000 1.146 206 R CA 1.672 57.771 56.100 -0.001 0.000 0.962 206 R CB -0.384 29.921 30.300 0.008 0.000 0.863 206 R HN 0.499 nan 8.270 nan 0.000 0.442 207 Q N -0.533 119.313 119.800 0.077 0.000 2.083 207 Q HA -0.154 4.186 4.340 0.000 0.000 0.198 207 Q C 1.959 178.029 176.000 0.117 0.000 0.969 207 Q CA 1.559 57.413 55.803 0.086 0.000 0.838 207 Q CB -0.320 28.475 28.738 0.095 0.000 0.900 207 Q HN 0.495 nan 8.270 nan 0.000 0.436 208 H N 0.441 119.577 119.070 0.109 0.000 2.387 208 H HA -0.079 4.477 4.556 0.000 0.000 0.299 208 H C 1.982 177.437 175.328 0.212 0.000 1.099 208 H CA 1.699 57.859 56.048 0.185 0.000 1.315 208 H CB -0.145 29.776 29.762 0.265 0.000 1.380 208 H HN 0.111 nan 8.280 nan 0.000 0.513 209 L N -0.390 120.873 121.223 0.067 0.000 2.027 209 L HA -0.137 4.203 4.340 0.000 0.000 0.206 209 L C 2.640 179.537 176.870 0.045 0.000 1.074 209 L CA 0.979 55.843 54.840 0.039 0.000 0.745 209 L CB -0.405 41.671 42.059 0.028 0.000 0.898 209 L HN 0.342 nan 8.230 nan 0.000 0.433 210 L N -0.209 121.027 121.223 0.022 0.000 2.131 210 L HA -0.202 4.138 4.340 0.000 0.000 0.210 210 L C 2.785 179.625 176.870 -0.050 0.000 1.092 210 L CA 1.164 56.008 54.840 0.005 0.000 0.759 210 L CB -0.254 41.809 42.059 0.006 0.000 0.903 210 L HN 0.278 nan 8.230 nan 0.000 0.435 211 R N -1.366 119.065 120.500 -0.115 0.000 2.193 211 R HA -0.193 4.148 4.340 0.000 0.000 0.229 211 R C 0.982 176.978 176.300 -0.506 0.000 1.110 211 R CA 1.422 57.340 56.100 -0.304 0.000 0.988 211 R CB -0.177 29.901 30.300 -0.371 0.000 0.871 211 R HN 0.445 nan 8.270 nan 0.000 0.458 212 W N -0.510 120.713 121.300 -0.129 0.000 2.966 212 W HA 0.262 4.922 4.660 0.000 0.000 0.406 212 W C 0.847 177.338 176.519 -0.047 0.000 1.027 212 W CA 0.285 57.566 57.345 -0.106 0.000 1.930 212 W CB 0.999 30.354 29.460 -0.175 0.000 1.144 212 W HN 0.223 nan 8.180 nan 0.000 0.626 213 G N 0.569 109.435 108.800 0.109 0.000 2.175 213 G HA2 -0.280 3.680 3.960 0.000 0.000 0.244 213 G HA3 -0.280 3.680 3.960 0.000 0.000 0.244 213 G C -0.190 174.781 174.900 0.118 0.000 0.982 213 G CA -0.321 44.842 45.100 0.104 0.000 0.641 213 G HN 0.133 nan 8.290 nan 0.000 0.527 214 L N 2.455 123.748 121.223 0.116 0.000 2.276 214 L HA 0.551 4.891 4.340 0.000 0.000 0.286 214 L C 1.004 177.920 176.870 0.076 0.000 1.024 214 L CA -0.300 54.609 54.840 0.116 0.000 0.826 214 L CB 1.492 43.625 42.059 0.122 0.000 1.211 214 L HN 0.336 nan 8.230 nan 0.000 0.422 215 T N -0.675 113.920 114.554 0.069 0.000 2.902 215 T HA 0.605 4.955 4.350 0.000 0.000 0.280 215 T C -0.022 174.699 174.700 0.035 0.000 0.992 215 T CA -0.562 61.563 62.100 0.042 0.000 1.015 215 T CB 2.248 71.135 68.868 0.032 0.000 1.044 215 T HN 0.582 nan 8.240 nan 0.000 0.520 216 T N 0.786 115.353 114.554 0.021 0.000 2.853 216 T HA 0.593 4.943 4.350 0.000 0.000 0.311 216 T C -3.091 171.618 174.700 0.015 0.000 1.307 216 T CA -1.419 60.693 62.100 0.019 0.000 1.019 216 T CB 1.490 70.368 68.868 0.016 0.000 1.264 216 T HN 0.681 nan 8.240 nan 0.000 0.497 217 P HA 0.260 nan 4.420 nan 0.000 0.276 217 P C -0.282 177.063 177.300 0.076 0.000 1.230 217 P CA -0.238 62.889 63.100 0.045 0.000 0.776 217 P CB 0.421 32.170 31.700 0.082 0.000 0.888 218 D N 2.024 122.490 120.400 0.109 0.000 2.429 218 D HA -0.098 4.542 4.640 0.000 0.000 0.233 218 D C 1.373 177.758 176.300 0.142 0.000 1.202 218 D CA 0.424 54.516 54.000 0.154 0.000 0.879 218 D CB 0.829 41.815 40.800 0.311 0.000 1.212 218 D HN 0.291 nan 8.370 nan 0.000 0.465 219 K N 1.694 122.151 120.400 0.095 0.000 2.360 219 K HA -0.155 4.165 4.320 0.000 0.000 0.201 219 K C 1.561 178.190 176.600 0.048 0.000 1.046 219 K CA 0.925 57.254 56.287 0.069 0.000 0.940 219 K CB 0.139 32.669 32.500 0.050 0.000 0.748 219 K HN 0.339 nan 8.250 nan 0.000 0.465 220 K N -0.443 119.974 120.400 0.027 0.000 2.365 220 K HA -0.013 4.307 4.320 0.000 0.000 0.197 220 K C 1.415 177.856 176.600 -0.266 0.000 1.042 220 K CA 0.599 56.811 56.287 -0.126 0.000 0.987 220 K CB 0.197 32.578 32.500 -0.199 0.000 0.779 220 K HN 0.292 nan 8.250 nan 0.000 0.484 221 H N 0.314 119.410 119.070 0.044 0.000 2.885 221 H HA 0.134 4.691 4.556 0.000 0.000 0.260 221 H C 0.122 175.487 175.328 0.062 0.000 0.985 221 H CA -0.085 55.991 56.048 0.048 0.000 1.210 221 H CB 0.595 30.381 29.762 0.040 0.000 1.466 221 H HN 0.159 nan 8.280 nan 0.000 0.493 222 Q N 2.220 122.116 119.800 0.159 0.000 2.304 222 Q HA 0.010 4.350 4.340 0.000 0.000 0.301 222 Q C 0.039 176.131 176.000 0.154 0.000 1.063 222 Q CA 0.558 56.446 55.803 0.141 0.000 0.947 222 Q CB 1.033 29.846 28.738 0.125 0.000 1.201 222 Q HN 0.176 nan 8.270 nan 0.000 0.389 223 K N 2.033 122.548 120.400 0.192 0.000 2.440 223 K HA 0.002 4.322 4.320 0.000 0.000 0.270 223 K C -0.252 176.546 176.600 0.329 0.000 0.980 223 K CA 0.452 56.895 56.287 0.259 0.000 0.953 223 K CB 0.444 33.148 32.500 0.340 0.000 0.925 223 K HN 0.458 nan 8.250 nan 0.000 0.497 224 E N 2.496 122.815 120.200 0.198 0.000 2.202 224 E HA 0.248 4.598 4.350 0.000 0.000 0.272 224 E C -2.301 174.130 176.600 -0.282 0.000 0.951 224 E CA -2.290 54.138 56.400 0.045 0.000 0.813 224 E CB 1.338 31.036 29.700 -0.002 0.000 1.151 224 E HN 0.374 nan 8.360 nan 0.000 0.398 225 P HA 0.063 nan 4.420 nan 0.000 0.269 225 P C -2.442 174.578 177.300 -0.467 0.000 1.209 225 P CA -1.001 61.534 63.100 -0.941 0.000 0.776 225 P CB -0.377 30.925 31.700 -0.663 0.000 0.876 226 P HA 0.210 nan 4.420 nan 0.000 0.275 226 P C -0.810 176.197 177.300 -0.490 0.000 1.227 226 P CA -0.048 62.668 63.100 -0.639 0.000 0.781 226 P CB 0.242 31.453 31.700 -0.816 0.000 0.906 227 F N 1.759 121.671 119.950 -0.063 0.000 2.420 227 F HA 0.251 4.778 4.527 0.000 0.000 0.352 227 F C 0.952 176.803 175.800 0.085 0.000 1.108 227 F CA -0.575 57.430 58.000 0.007 0.000 1.162 227 F CB 0.220 39.197 39.000 -0.038 0.000 1.118 227 F HN 0.035 nan 8.300 nan 0.000 0.510 228 L N 3.826 125.217 121.223 0.281 0.000 2.295 228 L HA 0.193 4.533 4.340 0.000 0.000 0.288 228 L C -1.055 176.005 176.870 0.317 0.000 1.079 228 L CA -0.246 54.745 54.840 0.252 0.000 0.830 228 L CB 0.349 42.504 42.059 0.160 0.000 1.200 228 L HN 0.733 nan 8.230 nan 0.000 0.438 229 W N 6.916 128.292 121.300 0.127 0.000 2.687 229 W HA 0.417 5.077 4.660 0.000 0.000 0.328 229 W C 0.051 176.640 176.519 0.116 0.000 1.012 229 W CA -1.080 56.301 57.345 0.061 0.000 1.262 229 W CB 1.313 30.737 29.460 -0.060 0.000 1.331 229 W HN 0.489 nan 8.180 nan 0.000 0.433 230 M N 5.909 125.196 119.600 -0.521 0.000 2.461 230 M HA -0.158 4.322 4.480 0.000 0.000 0.203 230 M C 1.166 177.225 176.300 -0.401 0.000 0.428 230 M CA 2.025 56.908 55.300 -0.696 0.000 0.509 230 M CB -1.046 30.636 32.600 -1.530 0.000 1.851 230 M HN 1.479 nan 8.290 nan 0.000 0.834 231 G N -2.256 106.398 108.800 -0.244 0.000 2.179 231 G HA2 -0.313 3.647 3.960 0.000 0.000 0.260 231 G HA3 -0.313 3.647 3.960 0.000 0.000 0.260 231 G C -0.181 174.762 174.900 0.072 0.000 0.977 231 G CA 0.348 45.335 45.100 -0.189 0.000 0.641 231 G HN 0.698 nan 8.290 nan 0.000 0.533 232 Y N 0.261 120.768 120.300 0.346 0.000 2.568 232 Y HA 0.680 5.231 4.550 0.000 0.000 0.327 232 Y C 0.655 176.765 175.900 0.349 0.000 1.163 232 Y CA -1.112 57.226 58.100 0.396 0.000 1.219 232 Y CB 1.139 39.826 38.460 0.378 0.000 1.308 232 Y HN 0.126 nan 8.280 nan 0.000 0.503 233 E N 1.878 122.420 120.200 0.570 0.000 2.191 233 E HA 0.444 4.794 4.350 0.000 0.000 0.263 233 E C -1.566 175.331 176.600 0.496 0.000 0.881 233 E CA -0.488 56.173 56.400 0.434 0.000 0.757 233 E CB 1.537 31.504 29.700 0.446 0.000 1.147 233 E HN 0.416 nan 8.360 nan 0.000 0.414 234 L N 4.163 125.587 121.223 0.336 0.000 2.283 234 L HA 0.407 4.747 4.340 0.000 0.000 0.281 234 L C -0.378 176.596 176.870 0.173 0.000 1.033 234 L CA -0.683 54.382 54.840 0.376 0.000 0.848 234 L CB 0.002 42.251 42.059 0.317 0.000 1.226 234 L HN 0.479 nan 8.230 nan 0.000 0.429 235 H N 2.558 121.764 119.070 0.228 0.000 2.499 235 H HA 0.285 4.841 4.556 0.000 0.000 0.352 235 H C -1.533 173.914 175.328 0.199 0.000 1.237 235 H CA -1.789 54.326 56.048 0.111 0.000 1.343 235 H CB 0.434 30.230 29.762 0.055 0.000 1.578 235 H HN 0.228 nan 8.280 nan 0.000 0.577 236 P HA -0.160 nan 4.420 nan 0.000 0.217 236 P C -0.192 177.276 177.300 0.280 0.000 1.148 236 P CA 1.929 65.137 63.100 0.179 0.000 0.834 236 P CB 0.215 31.968 31.700 0.087 0.000 0.783 237 D N -3.342 117.224 120.400 0.277 0.000 2.651 237 D HA 0.119 4.759 4.640 0.000 0.000 0.280 237 D C 0.008 176.332 176.300 0.040 0.000 1.496 237 D CA -0.430 53.726 54.000 0.260 0.000 0.792 237 D CB -0.178 40.699 40.800 0.128 0.000 1.144 237 D HN 0.222 nan 8.370 nan 0.000 0.470 238 K N -0.920 119.455 120.400 -0.042 0.000 2.578 238 K HA 0.623 4.943 4.320 0.000 0.000 0.287 238 K C -1.458 175.072 176.600 -0.118 0.000 1.010 238 K CA -1.169 54.949 56.287 -0.281 0.000 0.889 238 K CB 1.783 34.120 32.500 -0.270 0.000 1.514 238 K HN 0.134 nan 8.250 nan 0.000 0.424 239 W N 0.202 121.367 121.300 -0.226 0.000 3.083 239 W HA 0.738 5.398 4.660 0.000 0.000 0.333 239 W C -1.676 174.894 176.519 0.084 0.000 1.217 239 W CA -0.888 56.470 57.345 0.021 0.000 1.170 239 W CB 1.567 31.002 29.460 -0.042 0.000 1.437 239 W HN 0.798 nan 8.180 nan 0.000 0.557 240 T N 0.270 115.025 114.554 0.335 0.000 2.671 240 T HA 0.511 4.861 4.350 0.000 0.000 0.300 240 T C -0.920 174.061 174.700 0.469 0.000 1.238 240 T CA -0.215 61.899 62.100 0.023 0.000 1.020 240 T CB 1.081 69.800 68.868 -0.247 0.000 1.503 240 T HN 0.855 nan 8.240 nan 0.000 0.497 241 V N 0.946 121.046 119.914 0.310 0.000 2.785 241 V HA 0.631 4.751 4.120 0.000 0.000 0.300 241 V C 0.269 176.548 176.094 0.308 0.000 1.062 241 V CA -0.693 61.827 62.300 0.367 0.000 1.029 241 V CB 0.780 32.732 31.823 0.216 0.000 1.024 241 V HN 0.951 nan 8.190 nan 0.000 0.477 242 Q N 2.520 122.505 119.800 0.310 0.000 2.454 242 Q HA 0.286 4.626 4.340 0.000 0.000 0.247 242 Q C -2.268 173.833 176.000 0.167 0.000 1.028 242 Q CA -1.261 54.670 55.803 0.214 0.000 0.910 242 Q CB 0.096 28.926 28.738 0.154 0.000 1.276 242 Q HN 0.639 nan 8.270 nan 0.000 0.489 243 P HA -0.052 nan 4.420 nan 0.000 0.262 243 P C -0.981 176.352 177.300 0.055 0.000 1.182 243 P CA 0.656 63.805 63.100 0.081 0.000 0.761 243 P CB 0.344 32.083 31.700 0.064 0.000 0.795 244 I N 3.782 124.367 120.570 0.024 0.000 2.321 244 I HA 0.238 4.408 4.170 0.000 0.000 0.291 244 I C 0.074 176.179 176.117 -0.020 0.000 0.998 244 I CA -0.722 60.577 61.300 -0.002 0.000 1.227 244 I CB 1.485 39.456 38.000 -0.049 0.000 1.368 244 I HN 0.026 nan 8.210 nan 0.000 0.466 245 V N 7.499 127.409 119.914 -0.006 0.000 2.370 245 V HA 0.347 4.468 4.120 0.000 0.000 0.283 245 V C 0.241 176.343 176.094 0.013 0.000 1.023 245 V CA -0.585 61.713 62.300 -0.003 0.000 0.857 245 V CB 2.053 33.876 31.823 -0.000 0.000 0.985 245 V HN 0.448 nan 8.190 nan 0.000 0.443 246 L N 8.674 129.909 121.223 0.021 0.000 2.283 246 L HA 0.375 4.715 4.340 0.000 0.000 0.287 246 L C -1.837 175.098 176.870 0.109 0.000 1.073 246 L CA -1.646 53.237 54.840 0.072 0.000 0.822 246 L CB 0.972 43.065 42.059 0.056 0.000 1.186 246 L HN 0.448 nan 8.230 nan 0.000 0.436 247 P HA -0.003 nan 4.420 nan 0.000 0.266 247 P C -0.573 176.768 177.300 0.068 0.000 1.193 247 P CA -0.017 63.104 63.100 0.034 0.000 0.770 247 P CB 0.750 32.403 31.700 -0.079 0.000 0.836 248 E N 1.764 121.945 120.200 -0.031 0.000 2.146 248 E HA 0.326 4.676 4.350 0.000 0.000 0.282 248 E C -0.535 175.932 176.600 -0.223 0.000 0.989 248 E CA -0.352 56.035 56.400 -0.021 0.000 0.799 248 E CB 0.648 30.345 29.700 -0.005 0.000 1.088 248 E HN 0.210 nan 8.360 nan 0.000 0.397 249 K N 2.827 123.005 120.400 -0.369 0.000 2.464 249 K HA 0.214 4.534 4.320 0.000 0.000 0.253 249 K C -0.444 175.951 176.600 -0.342 0.000 0.933 249 K CA -0.776 55.156 56.287 -0.593 0.000 0.801 249 K CB 1.623 33.327 32.500 -1.326 0.000 1.271 249 K HN 0.375 nan 8.250 nan 0.000 0.430 250 D N 0.443 120.709 120.400 -0.223 0.000 2.084 250 D HA -0.050 4.590 4.640 0.000 0.000 0.196 250 D C -0.117 176.145 176.300 -0.063 0.000 0.985 250 D CA 1.399 55.346 54.000 -0.088 0.000 0.826 250 D CB 0.267 41.028 40.800 -0.066 0.000 0.978 250 D HN 0.256 nan 8.370 nan 0.000 0.456 251 S N -0.147 115.464 115.700 -0.149 0.000 2.478 251 S HA 0.376 4.847 4.470 0.000 0.000 0.312 251 S C -1.000 173.508 174.600 -0.153 0.000 1.094 251 S CA -0.741 57.425 58.200 -0.057 0.000 1.081 251 S CB 1.035 64.213 63.200 -0.038 0.000 1.007 251 S HN 0.118 nan 8.310 nan 0.000 0.475 252 W N 2.535 123.826 121.300 -0.014 0.000 2.349 252 W HA 0.429 5.089 4.660 0.000 0.000 0.309 252 W C 1.016 177.527 176.519 -0.015 0.000 1.083 252 W CA -0.646 56.690 57.345 -0.016 0.000 1.224 252 W CB 0.731 30.181 29.460 -0.016 0.000 1.256 252 W HN 0.636 nan 8.180 nan 0.000 0.461 253 T N -1.283 113.372 114.554 0.168 0.000 2.849 253 T HA 0.194 4.544 4.350 0.000 0.000 0.284 253 T C 0.999 175.775 174.700 0.125 0.000 1.004 253 T CA -0.740 61.425 62.100 0.107 0.000 1.021 253 T CB 1.179 70.075 68.868 0.047 0.000 1.013 253 T HN 0.226 nan 8.240 nan 0.000 0.527 254 V N 1.896 121.855 119.914 0.075 0.000 2.252 254 V HA -0.226 3.894 4.120 0.000 0.000 0.249 254 V C 2.892 179.021 176.094 0.057 0.000 1.056 254 V CA 2.565 64.898 62.300 0.056 0.000 1.022 254 V CB -1.458 30.384 31.823 0.032 0.000 0.641 254 V HN 1.030 nan 8.190 nan 0.000 0.445 255 N N 0.491 119.219 118.700 0.048 0.000 2.091 255 N HA -0.226 4.515 4.740 0.000 0.000 0.193 255 N C 1.450 177.001 175.510 0.069 0.000 1.021 255 N CA 2.129 55.203 53.050 0.041 0.000 0.862 255 N CB -0.272 38.228 38.487 0.021 0.000 1.018 255 N HN 0.531 nan 8.380 nan 0.000 0.429 256 D N -0.369 120.101 120.400 0.116 0.000 2.149 256 D HA -0.047 4.593 4.640 0.000 0.000 0.201 256 D C 1.977 178.444 176.300 0.278 0.000 0.972 256 D CA 0.724 54.845 54.000 0.202 0.000 0.835 256 D CB -0.101 40.848 40.800 0.248 0.000 0.966 256 D HN 0.451 nan 8.370 nan 0.000 0.476 257 I N 0.827 121.522 120.570 0.208 0.000 2.286 257 I HA -0.226 3.944 4.170 0.000 0.000 0.245 257 I C 2.473 178.611 176.117 0.035 0.000 1.104 257 I CA 0.811 62.158 61.300 0.078 0.000 1.397 257 I CB -0.176 37.830 38.000 0.010 0.000 1.072 257 I HN -0.099 nan 8.210 nan 0.000 0.417 258 Q N 0.948 120.772 119.800 0.040 0.000 2.061 258 Q HA -0.263 4.077 4.340 0.000 0.000 0.204 258 Q C 2.211 178.226 176.000 0.025 0.000 0.984 258 Q CA 1.753 57.570 55.803 0.022 0.000 0.846 258 Q CB -0.133 28.616 28.738 0.018 0.000 0.902 258 Q HN 0.425 nan 8.270 nan 0.000 0.421 259 K N 0.495 120.920 120.400 0.042 0.000 2.097 259 K HA -0.105 4.215 4.320 0.000 0.000 0.206 259 K C 2.061 178.688 176.600 0.044 0.000 1.049 259 K CA 0.805 57.113 56.287 0.034 0.000 0.933 259 K CB -0.157 32.365 32.500 0.037 0.000 0.717 259 K HN 0.180 nan 8.250 nan 0.000 0.442 260 L N 0.795 122.061 121.223 0.073 0.000 2.012 260 L HA -0.231 4.110 4.340 0.000 0.000 0.210 260 L C 2.136 179.011 176.870 0.008 0.000 1.073 260 L CA 1.418 56.288 54.840 0.050 0.000 0.748 260 L CB -0.215 41.850 42.059 0.011 0.000 0.891 260 L HN 0.047 nan 8.230 nan 0.000 0.431 261 V N -0.134 119.778 119.914 -0.004 0.000 2.295 261 V HA -0.220 3.900 4.120 0.000 0.000 0.246 261 V C 2.656 178.765 176.094 0.024 0.000 1.049 261 V CA 1.827 64.124 62.300 -0.005 0.000 1.024 261 V CB -1.315 30.500 31.823 -0.014 0.000 0.648 261 V HN 0.644 nan 8.190 nan 0.000 0.447 262 G N -0.255 108.561 108.800 0.027 0.000 2.476 262 G HA2 -0.303 3.657 3.960 0.000 0.000 0.218 262 G HA3 -0.303 3.657 3.960 0.000 0.000 0.218 262 G C 1.689 176.636 174.900 0.077 0.000 1.164 262 G CA 1.182 46.308 45.100 0.042 0.000 0.768 262 G HN 0.475 nan 8.290 nan 0.000 0.560 263 K N -0.300 120.134 120.400 0.056 0.000 2.025 263 K HA 0.133 4.453 4.320 0.000 0.000 0.207 263 K C 2.566 179.228 176.600 0.103 0.000 1.049 263 K CA 0.650 56.986 56.287 0.082 0.000 0.933 263 K CB -0.280 32.244 32.500 0.040 0.000 0.714 263 K HN 0.251 nan 8.250 nan 0.000 0.438 264 L N 1.248 122.500 121.223 0.048 0.000 2.012 264 L HA -0.254 4.086 4.340 0.000 0.000 0.210 264 L C 2.036 178.941 176.870 0.057 0.000 1.073 264 L CA 1.072 55.924 54.840 0.020 0.000 0.748 264 L CB -0.577 41.474 42.059 -0.013 0.000 0.891 264 L HN 0.243 nan 8.230 nan 0.000 0.431 265 N N -0.530 118.220 118.700 0.085 0.000 2.061 265 N HA -0.275 4.466 4.740 0.000 0.000 0.193 265 N C 1.509 177.121 175.510 0.170 0.000 1.030 265 N CA 1.491 54.608 53.050 0.113 0.000 0.856 265 N CB -0.465 38.092 38.487 0.118 0.000 1.023 265 N HN 0.492 nan 8.380 nan 0.000 0.424 266 W N 1.758 123.067 121.300 0.016 0.000 2.335 266 W HA -0.167 4.493 4.660 0.000 0.000 0.311 266 W C 2.029 178.593 176.519 0.075 0.000 1.213 266 W CA 1.750 59.109 57.345 0.024 0.000 1.274 266 W CB -0.148 29.292 29.460 -0.033 0.000 1.148 266 W HN 0.079 nan 8.180 nan 0.000 0.498 267 A N 0.505 123.387 122.820 0.103 0.000 1.969 267 A HA -0.225 4.095 4.320 0.000 0.000 0.218 267 A C 1.956 179.596 177.584 0.093 0.000 1.169 267 A CA 2.178 54.247 52.037 0.055 0.000 0.635 267 A CB -1.279 17.674 19.000 -0.078 0.000 0.810 267 A HN 0.377 nan 8.150 nan 0.000 0.445 268 S N -0.123 115.605 115.700 0.046 0.000 2.465 268 S HA -0.258 4.212 4.470 0.000 0.000 0.241 268 S C 1.646 176.251 174.600 0.009 0.000 1.000 268 S CA 1.444 59.663 58.200 0.031 0.000 0.964 268 S CB -0.613 62.596 63.200 0.015 0.000 0.763 268 S HN 0.716 nan 8.310 nan 0.000 0.512 269 Q N -0.610 119.201 119.800 0.018 0.000 2.291 269 Q HA 0.179 4.519 4.340 0.000 0.000 0.205 269 Q C 1.487 177.583 176.000 0.161 0.000 0.970 269 Q CA 1.101 56.964 55.803 0.100 0.000 0.876 269 Q CB -0.070 28.757 28.738 0.148 0.000 0.935 269 Q HN 0.647 nan 8.270 nan 0.000 0.455 270 I N -2.350 118.247 120.570 0.046 0.000 4.916 270 I HA 0.057 4.227 4.170 0.000 0.000 0.335 270 I C -0.792 175.170 176.117 -0.257 0.000 1.274 270 I CA -0.176 61.025 61.300 -0.165 0.000 1.365 270 I CB 0.930 38.635 38.000 -0.490 0.000 1.395 270 I HN -0.105 nan 8.210 nan 0.000 0.485 271 Y N 4.203 124.429 120.300 -0.123 0.000 2.452 271 Y HA 0.415 4.965 4.550 0.000 0.000 0.348 271 Y C -2.056 173.789 175.900 -0.090 0.000 0.985 271 Y CA -2.439 55.596 58.100 -0.108 0.000 1.214 271 Y CB -0.020 38.385 38.460 -0.091 0.000 1.136 271 Y HN 0.054 nan 8.280 nan 0.000 0.523 272 P HA 0.115 nan 4.420 nan 0.000 0.271 272 P C 0.799 178.101 177.300 0.003 0.000 1.218 272 P CA 0.607 63.696 63.100 -0.018 0.000 0.780 272 P CB 0.927 32.601 31.700 -0.043 0.000 0.901 273 G N 1.787 110.581 108.800 -0.011 0.000 2.159 273 G HA2 -0.219 3.742 3.960 0.000 0.000 0.256 273 G HA3 -0.219 3.742 3.960 0.000 0.000 0.256 273 G C 0.256 175.149 174.900 -0.012 0.000 0.977 273 G CA -0.506 44.587 45.100 -0.013 0.000 0.652 273 G HN 0.475 nan 8.290 nan 0.000 0.531 274 I N 0.973 121.541 120.570 -0.003 0.000 2.752 274 I HA 0.151 4.321 4.170 0.000 0.000 0.289 274 I C 0.837 176.942 176.117 -0.020 0.000 1.197 274 I CA 1.015 62.307 61.300 -0.013 0.000 1.432 274 I CB 0.459 38.457 38.000 -0.003 0.000 1.359 274 I HN 0.168 nan 8.210 nan 0.000 0.571 275 K N 4.772 125.152 120.400 -0.034 0.000 2.318 275 K HA 0.542 4.862 4.320 0.000 0.000 0.249 275 K C -0.059 176.512 176.600 -0.048 0.000 0.942 275 K CA -0.612 55.651 56.287 -0.040 0.000 0.808 275 K CB 2.962 35.431 32.500 -0.052 0.000 1.189 275 K HN 0.288 nan 8.250 nan 0.000 0.428 276 V N 1.939 121.826 119.914 -0.045 0.000 3.392 276 V HA 0.037 4.157 4.120 0.000 0.000 0.294 276 V C 1.653 177.714 176.094 -0.056 0.000 1.561 276 V CA 0.145 62.415 62.300 -0.049 0.000 1.056 276 V CB 0.332 32.138 31.823 -0.029 0.000 0.882 276 V HN 0.708 nan 8.190 nan 0.000 0.440 277 R N 0.214 120.680 120.500 -0.057 0.000 2.070 277 R HA -0.161 4.179 4.340 0.000 0.000 0.233 277 R C 2.062 178.324 176.300 -0.062 0.000 1.137 277 R CA 1.853 57.919 56.100 -0.057 0.000 0.945 277 R CB 0.042 30.306 30.300 -0.060 0.000 0.845 277 R HN 0.389 nan 8.270 nan 0.000 0.430 278 Q N 0.438 120.195 119.800 -0.071 0.000 2.224 278 Q HA -0.106 4.234 4.340 0.000 0.000 0.203 278 Q C 2.204 178.151 176.000 -0.088 0.000 0.970 278 Q CA 1.066 56.823 55.803 -0.076 0.000 0.865 278 Q CB -0.052 28.638 28.738 -0.081 0.000 0.922 278 Q HN 0.435 nan 8.270 nan 0.000 0.445 279 L N -0.811 120.352 121.223 -0.101 0.000 2.109 279 L HA -0.133 4.207 4.340 0.000 0.000 0.207 279 L C 2.451 179.270 176.870 -0.085 0.000 1.086 279 L CA 0.614 55.383 54.840 -0.119 0.000 0.760 279 L CB -0.302 41.671 42.059 -0.142 0.000 0.910 279 L HN 0.186 nan 8.230 nan 0.000 0.437 280 C N -0.163 119.098 119.300 -0.065 0.000 2.450 280 C HA -0.087 4.373 4.460 0.000 0.000 0.279 280 C C 2.683 177.648 174.990 -0.042 0.000 1.335 280 C CA 0.289 59.279 59.018 -0.046 0.000 1.749 280 C CB -0.646 27.072 27.740 -0.038 0.000 1.963 280 C HN 0.422 nan 8.230 nan 0.000 0.501 281 K N 1.173 121.545 120.400 -0.046 0.000 2.152 281 K HA -0.119 4.201 4.320 0.000 0.000 0.206 281 K C 1.683 178.261 176.600 -0.037 0.000 1.048 281 K CA 1.120 57.383 56.287 -0.040 0.000 0.933 281 K CB -0.410 32.064 32.500 -0.042 0.000 0.721 281 K HN 0.545 nan 8.250 nan 0.000 0.447 282 L N 0.810 122.004 121.223 -0.047 0.000 2.265 282 L HA -0.135 4.205 4.340 0.000 0.000 0.215 282 L C 1.795 178.650 176.870 -0.026 0.000 1.117 282 L CA 0.773 55.588 54.840 -0.041 0.000 0.782 282 L CB -0.386 41.637 42.059 -0.060 0.000 0.914 282 L HN 0.153 nan 8.230 nan 0.000 0.441 283 L N -0.099 121.109 121.223 -0.025 0.000 2.653 283 L HA 0.099 4.439 4.340 0.000 0.000 0.232 283 L C 0.384 177.248 176.870 -0.011 0.000 1.169 283 L CA 0.002 54.834 54.840 -0.014 0.000 0.951 283 L CB -0.138 41.912 42.059 -0.014 0.000 1.181 283 L HN 0.134 nan 8.230 nan 0.000 0.460 284 R N 0.331 120.823 120.500 -0.012 0.000 2.247 284 R HA 0.519 4.859 4.340 0.000 0.000 0.329 284 R C 0.633 176.929 176.300 -0.006 0.000 1.014 284 R CA -0.077 56.017 56.100 -0.009 0.000 0.907 284 R CB 0.977 31.270 30.300 -0.012 0.000 1.146 284 R HN 0.085 nan 8.270 nan 0.000 0.499 285 G N 0.416 109.215 108.800 -0.003 0.000 4.657 285 G HA2 -0.122 3.839 3.960 0.000 0.000 0.213 285 G HA3 -0.122 3.839 3.960 0.000 0.000 0.213 285 G C 0.446 175.346 174.900 0.000 0.000 0.912 285 G CA -0.234 44.865 45.100 -0.002 0.000 0.815 285 G HN 0.481 nan 8.290 nan 0.000 0.384 286 T N 0.412 114.966 114.554 0.001 0.000 3.086 286 T HA 0.286 4.636 4.350 0.000 0.000 0.250 286 T C 0.678 175.380 174.700 0.003 0.000 1.074 286 T CA 0.292 62.393 62.100 0.002 0.000 0.988 286 T CB -0.167 68.702 68.868 0.002 0.000 0.988 286 T HN 0.238 nan 8.240 nan 0.000 0.530 287 K N 1.595 121.997 120.400 0.004 0.000 2.110 287 K HA 0.755 5.075 4.320 0.000 0.000 0.263 287 K C -0.135 176.469 176.600 0.007 0.000 0.975 287 K CA -0.544 55.747 56.287 0.006 0.000 0.895 287 K CB 1.075 33.581 32.500 0.009 0.000 1.060 287 K HN 0.087 nan 8.250 nan 0.000 0.448 288 A N 2.413 125.238 122.820 0.007 0.000 2.477 288 A HA 0.096 4.416 4.320 0.000 0.000 0.246 288 A C 1.218 178.807 177.584 0.010 0.000 1.078 288 A CA -0.380 51.661 52.037 0.006 0.000 0.770 288 A CB -0.149 18.854 19.000 0.005 0.000 1.011 288 A HN 0.942 nan 8.150 nan 0.000 0.494 289 L N 2.939 124.167 121.223 0.007 0.000 2.040 289 L HA -0.283 4.057 4.340 0.000 0.000 0.228 289 L C 2.408 179.285 176.870 0.012 0.000 1.092 289 L CA 3.279 58.125 54.840 0.009 0.000 0.805 289 L CB -0.484 41.577 42.059 0.002 0.000 0.905 289 L HN 0.891 nan 8.230 nan 0.000 0.443 290 T N -3.591 110.968 114.554 0.007 0.000 3.086 290 T HA 0.087 4.437 4.350 0.000 0.000 0.250 290 T C 0.734 175.440 174.700 0.011 0.000 1.074 290 T CA -0.126 61.977 62.100 0.006 0.000 0.988 290 T CB -0.527 68.339 68.868 -0.003 0.000 0.988 290 T HN 0.508 nan 8.240 nan 0.000 0.530 291 E N 1.618 121.827 120.200 0.015 0.000 2.415 291 E HA 0.220 4.570 4.350 0.000 0.000 0.263 291 E C -0.666 175.953 176.600 0.032 0.000 0.995 291 E CA -0.377 56.035 56.400 0.018 0.000 0.915 291 E CB 0.658 30.368 29.700 0.016 0.000 0.951 291 E HN 0.149 nan 8.360 nan 0.000 0.449 292 V N 6.462 126.397 119.914 0.034 0.000 2.530 292 V HA 0.174 4.294 4.120 0.000 0.000 0.282 292 V C 0.358 176.487 176.094 0.058 0.000 1.048 292 V CA -0.040 62.293 62.300 0.055 0.000 0.997 292 V CB 0.875 32.725 31.823 0.045 0.000 0.987 292 V HN 0.569 nan 8.190 nan 0.000 0.477 293 I N 6.960 127.580 120.570 0.083 0.000 2.382 293 I HA 0.374 4.544 4.170 0.000 0.000 0.286 293 I C -2.301 173.860 176.117 0.073 0.000 1.002 293 I CA -1.941 59.395 61.300 0.059 0.000 1.135 293 I CB 2.026 40.051 38.000 0.041 0.000 1.288 293 I HN 0.473 nan 8.210 nan 0.000 0.448 294 P HA 0.114 nan 4.420 nan 0.000 0.268 294 P C -0.720 176.587 177.300 0.012 0.000 1.204 294 P CA -0.391 62.737 63.100 0.048 0.000 0.768 294 P CB 0.472 32.190 31.700 0.030 0.000 0.842 295 L N 3.601 124.826 121.223 0.003 0.000 2.361 295 L HA 0.170 4.510 4.340 0.000 0.000 0.278 295 L C 1.204 178.048 176.870 -0.044 0.000 1.113 295 L CA 0.540 55.342 54.840 -0.064 0.000 0.849 295 L CB -0.223 41.765 42.059 -0.119 0.000 1.155 295 L HN 0.475 nan 8.230 nan 0.000 0.452 296 T N -0.452 114.070 114.554 -0.053 0.000 2.734 296 T HA 0.005 4.355 4.350 0.000 0.000 0.314 296 T C 1.074 175.746 174.700 -0.048 0.000 1.057 296 T CA -0.339 61.735 62.100 -0.043 0.000 1.047 296 T CB 0.611 69.451 68.868 -0.046 0.000 0.991 296 T HN 0.595 nan 8.240 nan 0.000 0.540 297 E N 0.443 120.621 120.200 -0.038 0.000 2.153 297 E HA -0.110 4.240 4.350 0.000 0.000 0.194 297 E C 1.902 178.473 176.600 -0.048 0.000 0.988 297 E CA 1.362 57.740 56.400 -0.037 0.000 0.811 297 E CB -0.317 29.366 29.700 -0.028 0.000 0.746 297 E HN 0.792 nan 8.360 nan 0.000 0.466 298 E N -0.067 120.102 120.200 -0.052 0.000 2.072 298 E HA -0.046 4.304 4.350 0.000 0.000 0.191 298 E C 1.943 178.498 176.600 -0.076 0.000 0.985 298 E CA 1.296 57.661 56.400 -0.059 0.000 0.801 298 E CB -0.476 29.190 29.700 -0.057 0.000 0.750 298 E HN 0.350 nan 8.360 nan 0.000 0.452 299 A N 0.845 123.611 122.820 -0.089 0.000 1.902 299 A HA -0.259 4.061 4.320 0.000 0.000 0.217 299 A C 2.147 179.649 177.584 -0.137 0.000 1.181 299 A CA 1.835 53.798 52.037 -0.124 0.000 0.623 299 A CB -0.579 18.332 19.000 -0.148 0.000 0.818 299 A HN 0.194 nan 8.150 nan 0.000 0.443 300 E N -0.549 119.584 120.200 -0.112 0.000 2.058 300 E HA -0.188 4.162 4.350 0.000 0.000 0.194 300 E C 1.817 178.373 176.600 -0.074 0.000 0.997 300 E CA 1.246 57.591 56.400 -0.091 0.000 0.801 300 E CB -0.264 29.403 29.700 -0.056 0.000 0.746 300 E HN 0.376 nan 8.360 nan 0.000 0.450 301 L N 0.975 122.160 121.223 -0.064 0.000 2.012 301 L HA -0.181 4.159 4.340 0.000 0.000 0.210 301 L C 2.341 179.173 176.870 -0.063 0.000 1.073 301 L CA 1.979 56.786 54.840 -0.055 0.000 0.748 301 L CB -1.017 41.011 42.059 -0.051 0.000 0.891 301 L HN 0.273 nan 8.230 nan 0.000 0.431 302 E N -0.662 119.492 120.200 -0.077 0.000 2.051 302 E HA -0.254 4.096 4.350 0.000 0.000 0.192 302 E C 2.238 178.785 176.600 -0.089 0.000 0.991 302 E CA 1.006 57.357 56.400 -0.081 0.000 0.799 302 E CB -0.137 29.509 29.700 -0.090 0.000 0.748 302 E HN 0.255 nan 8.360 nan 0.000 0.449 303 L N 0.844 121.999 121.223 -0.113 0.000 2.079 303 L HA -0.134 4.206 4.340 0.000 0.000 0.210 303 L C 2.143 178.968 176.870 -0.075 0.000 1.081 303 L CA 2.264 57.032 54.840 -0.119 0.000 0.752 303 L CB -0.724 41.232 42.059 -0.172 0.000 0.896 303 L HN 0.168 nan 8.230 nan 0.000 0.433 304 A N -1.274 121.510 122.820 -0.060 0.000 1.929 304 A HA -0.173 4.148 4.320 0.000 0.000 0.216 304 A C 2.318 179.879 177.584 -0.039 0.000 1.176 304 A CA 1.345 53.359 52.037 -0.038 0.000 0.628 304 A CB -0.572 18.409 19.000 -0.030 0.000 0.816 304 A HN 0.581 nan 8.150 nan 0.000 0.444 305 E N 0.131 120.304 120.200 -0.045 0.000 2.072 305 E HA -0.209 4.141 4.350 0.000 0.000 0.191 305 E C 1.614 178.189 176.600 -0.043 0.000 0.985 305 E CA 1.130 57.505 56.400 -0.041 0.000 0.801 305 E CB -0.144 29.530 29.700 -0.044 0.000 0.750 305 E HN 0.533 nan 8.360 nan 0.000 0.452 306 N N 0.892 119.559 118.700 -0.054 0.000 2.061 306 N HA -0.188 4.552 4.740 0.000 0.000 0.193 306 N C 1.834 177.304 175.510 -0.067 0.000 1.030 306 N CA 1.158 54.171 53.050 -0.063 0.000 0.856 306 N CB -0.371 38.071 38.487 -0.075 0.000 1.023 306 N HN 0.197 nan 8.380 nan 0.000 0.424 307 R N 0.835 121.303 120.500 -0.053 0.000 2.091 307 R HA -0.049 4.291 4.340 0.000 0.000 0.238 307 R C 1.901 178.179 176.300 -0.036 0.000 1.136 307 R CA 0.839 56.913 56.100 -0.044 0.000 0.959 307 R CB -0.123 30.163 30.300 -0.023 0.000 0.856 307 R HN 0.294 nan 8.270 nan 0.000 0.437 308 E N 0.762 120.946 120.200 -0.027 0.000 2.118 308 E HA -0.176 4.174 4.350 0.000 0.000 0.195 308 E C 2.028 178.624 176.600 -0.007 0.000 0.992 308 E CA 1.134 57.524 56.400 -0.016 0.000 0.804 308 E CB -0.079 29.611 29.700 -0.016 0.000 0.741 308 E HN 0.370 nan 8.360 nan 0.000 0.458 309 I N 0.575 121.138 120.570 -0.011 0.000 2.252 309 I HA -0.243 3.927 4.170 0.000 0.000 0.245 309 I C 2.177 178.321 176.117 0.046 0.000 1.102 309 I CA 0.821 62.137 61.300 0.026 0.000 1.385 309 I CB -0.069 37.943 38.000 0.019 0.000 1.064 309 I HN 0.028 nan 8.210 nan 0.000 0.414 310 L N 0.853 122.028 121.223 -0.079 0.000 2.591 310 L HA -0.040 4.301 4.340 0.000 0.000 0.228 310 L C 2.395 179.228 176.870 -0.062 0.000 1.133 310 L CA 0.256 54.974 54.840 -0.202 0.000 0.880 310 L CB -0.397 41.480 42.059 -0.305 0.000 1.033 310 L HN 0.295 nan 8.230 nan 0.000 0.450 311 K N -0.019 120.375 120.400 -0.010 0.000 2.097 311 K HA -0.051 4.269 4.320 0.000 0.000 0.206 311 K C 0.405 177.023 176.600 0.029 0.000 1.049 311 K CA 0.909 57.197 56.287 0.003 0.000 0.933 311 K CB 0.110 32.612 32.500 0.002 0.000 0.717 311 K HN 0.114 nan 8.250 nan 0.000 0.442 312 E N 1.834 122.069 120.200 0.058 0.000 2.183 312 E HA 0.312 4.662 4.350 0.000 0.000 0.271 312 E C -2.510 174.164 176.600 0.123 0.000 0.919 312 E CA -2.692 53.747 56.400 0.066 0.000 0.781 312 E CB 1.630 31.353 29.700 0.038 0.000 1.140 312 E HN 0.091 nan 8.360 nan 0.000 0.402 313 P HA 0.056 nan 4.420 nan 0.000 0.268 313 P C -0.687 176.512 177.300 -0.167 0.000 1.204 313 P CA -0.065 63.050 63.100 0.025 0.000 0.768 313 P CB 0.568 32.287 31.700 0.031 0.000 0.842 314 V N 3.892 123.476 119.914 -0.549 0.000 2.680 314 V HA 0.405 4.525 4.120 0.000 0.000 0.309 314 V C -0.389 175.161 176.094 -0.906 0.000 1.052 314 V CA -0.511 61.369 62.300 -0.700 0.000 0.908 314 V CB 1.747 32.977 31.823 -0.989 0.000 1.001 314 V HN 0.600 nan 8.190 nan 0.000 0.431 315 H N 0.879 119.656 119.070 -0.488 0.000 2.747 315 H HA 0.744 5.300 4.556 0.000 0.000 0.371 315 H C 0.340 175.279 175.328 -0.648 0.000 1.161 315 H CA -0.008 55.707 56.048 -0.554 0.000 1.167 315 H CB 1.967 31.474 29.762 -0.425 0.000 1.732 315 H HN 0.912 nan 8.280 nan 0.000 0.544 316 G N 0.403 108.652 108.800 -0.919 0.000 2.461 316 G HA2 0.479 4.439 3.960 0.000 0.000 0.329 316 G HA3 0.479 4.439 3.960 0.000 0.000 0.329 316 G C -0.869 173.713 174.900 -0.529 0.000 1.170 316 G CA -0.462 44.108 45.100 -0.883 0.000 0.935 316 G HN 0.495 nan 8.290 nan 0.000 0.492 317 V N -0.193 119.635 119.914 -0.142 0.000 3.096 317 V HA 0.638 4.758 4.120 0.000 0.000 0.319 317 V C -0.639 175.548 176.094 0.156 0.000 1.082 317 V CA -0.944 61.325 62.300 -0.051 0.000 1.022 317 V CB 1.461 33.287 31.823 0.006 0.000 1.103 317 V HN 0.644 nan 8.190 nan 0.000 0.455 318 Y N 1.491 121.979 120.300 0.313 0.000 2.340 318 Y HA 0.355 4.905 4.550 0.000 0.000 0.327 318 Y C -0.412 175.679 175.900 0.319 0.000 1.321 318 Y CA -0.126 58.167 58.100 0.323 0.000 1.433 318 Y CB 0.668 39.261 38.460 0.222 0.000 1.373 318 Y HN 0.630 nan 8.280 nan 0.000 0.538 319 Y N 1.649 122.188 120.300 0.399 0.000 2.308 319 Y HA 0.200 4.750 4.550 0.000 0.000 0.329 319 Y C -0.657 175.340 175.900 0.162 0.000 1.111 319 Y CA -1.347 56.910 58.100 0.262 0.000 1.179 319 Y CB 0.752 39.444 38.460 0.388 0.000 1.201 319 Y HN 0.459 nan 8.280 nan 0.000 0.483 320 D N 8.482 128.572 120.400 -0.516 0.000 2.461 320 D HA 0.278 4.918 4.640 0.000 0.000 0.240 320 D C -2.142 173.612 176.300 -0.909 0.000 1.094 320 D CA -2.454 51.234 54.000 -0.520 0.000 0.868 320 D CB 1.788 42.455 40.800 -0.222 0.000 1.062 320 D HN 0.368 nan 8.370 nan 0.000 0.530 321 P HA -0.074 nan 4.420 nan 0.000 0.231 321 P C 0.592 177.758 177.300 -0.224 0.000 1.158 321 P CA 0.455 63.208 63.100 -0.578 0.000 0.763 321 P CB 0.082 31.676 31.700 -0.177 0.000 0.805 322 S N -1.639 113.936 115.700 -0.209 0.000 2.552 322 S HA 0.302 4.772 4.470 0.000 0.000 0.246 322 S C 0.271 174.808 174.600 -0.105 0.000 1.019 322 S CA -0.503 57.629 58.200 -0.113 0.000 1.045 322 S CB -0.461 62.686 63.200 -0.088 0.000 0.784 322 S HN 0.043 nan 8.310 nan 0.000 0.453 323 K N 0.647 120.970 120.400 -0.127 0.000 2.532 323 K HA 0.397 4.717 4.320 0.000 0.000 0.265 323 K C -1.669 174.881 176.600 -0.082 0.000 0.948 323 K CA -0.893 55.336 56.287 -0.096 0.000 0.842 323 K CB 1.153 33.592 32.500 -0.101 0.000 1.392 323 K HN 0.048 nan 8.250 nan 0.000 0.436 324 D N 1.342 121.694 120.400 -0.081 0.000 2.382 324 D HA 0.076 4.716 4.640 0.000 0.000 0.240 324 D C -0.117 176.086 176.300 -0.162 0.000 1.146 324 D CA -0.034 53.905 54.000 -0.102 0.000 0.897 324 D CB 0.614 41.351 40.800 -0.106 0.000 1.197 324 D HN 0.080 nan 8.370 nan 0.000 0.432 325 L N 1.883 122.966 121.223 -0.233 0.000 2.326 325 L HA 0.400 4.740 4.340 0.000 0.000 0.278 325 L C 0.397 177.018 176.870 -0.415 0.000 1.092 325 L CA -0.193 54.416 54.840 -0.385 0.000 0.810 325 L CB 0.587 42.326 42.059 -0.534 0.000 1.153 325 L HN 0.266 nan 8.230 nan 0.000 0.439 326 I N 2.229 122.478 120.570 -0.536 0.000 2.433 326 I HA 0.583 4.753 4.170 0.000 0.000 0.292 326 I C -0.104 175.614 176.117 -0.665 0.000 1.001 326 I CA -0.527 60.400 61.300 -0.621 0.000 1.119 326 I CB 2.103 39.653 38.000 -0.751 0.000 1.289 326 I HN 0.669 nan 8.210 nan 0.000 0.438 327 A N 5.975 128.461 122.820 -0.557 0.000 2.343 327 A HA 0.710 5.031 4.320 0.000 0.000 0.316 327 A C -0.786 176.725 177.584 -0.121 0.000 1.104 327 A CA -0.531 51.282 52.037 -0.373 0.000 0.768 327 A CB 0.970 19.615 19.000 -0.592 0.000 1.213 327 A HN 0.723 nan 8.150 nan 0.000 0.456 328 E N 1.684 121.917 120.200 0.055 0.000 2.212 328 E HA 0.623 4.973 4.350 0.000 0.000 0.268 328 E C -1.221 175.507 176.600 0.213 0.000 0.902 328 E CA -0.474 56.017 56.400 0.151 0.000 0.779 328 E CB 2.346 32.167 29.700 0.203 0.000 1.172 328 E HN 0.617 nan 8.360 nan 0.000 0.409 329 I N 1.954 122.643 120.570 0.198 0.000 2.608 329 I HA 0.276 4.447 4.170 0.000 0.000 0.295 329 I C -0.766 175.491 176.117 0.233 0.000 1.049 329 I CA -0.936 60.509 61.300 0.242 0.000 1.063 329 I CB 1.934 40.036 38.000 0.169 0.000 1.248 329 I HN 0.335 nan 8.210 nan 0.000 0.424 330 Q N 3.837 123.797 119.800 0.266 0.000 2.394 330 Q HA 0.422 4.762 4.340 0.000 0.000 0.273 330 Q C -0.842 175.280 176.000 0.202 0.000 1.089 330 Q CA -0.882 55.040 55.803 0.198 0.000 0.812 330 Q CB 2.486 31.274 28.738 0.085 0.000 1.353 330 Q HN 0.338 nan 8.270 nan 0.000 0.438 331 K N 1.791 122.194 120.400 0.005 0.000 2.297 331 K HA 0.133 4.453 4.320 0.000 0.000 0.286 331 K C -0.759 175.653 176.600 -0.314 0.000 1.053 331 K CA -0.116 55.861 56.287 -0.515 0.000 0.940 331 K CB 0.531 32.657 32.500 -0.623 0.000 1.019 331 K HN 0.691 nan 8.250 nan 0.000 0.475 332 Q N 3.468 123.057 119.800 -0.351 0.000 2.788 332 Q HA 0.343 4.683 4.340 0.000 0.000 0.285 332 Q C 0.191 176.050 176.000 -0.234 0.000 1.063 332 Q CA -0.699 54.980 55.803 -0.207 0.000 0.958 332 Q CB 0.986 29.652 28.738 -0.120 0.000 1.211 332 Q HN 0.851 nan 8.270 nan 0.000 0.478 333 G N 1.479 110.136 108.800 -0.239 0.000 2.698 333 G HA2 -0.224 3.736 3.960 0.000 0.000 0.233 333 G HA3 -0.224 3.736 3.960 0.000 0.000 0.233 333 G C -0.899 173.840 174.900 -0.267 0.000 1.352 333 G CA -0.843 44.135 45.100 -0.204 0.000 0.879 333 G HN 0.474 nan 8.290 nan 0.000 0.567 334 Q N 0.967 120.655 119.800 -0.187 0.000 2.294 334 Q HA 0.482 4.822 4.340 0.000 0.000 0.257 334 Q C 1.340 177.261 176.000 -0.132 0.000 0.955 334 Q CA 0.922 56.628 55.803 -0.161 0.000 0.936 334 Q CB 0.604 29.276 28.738 -0.111 0.000 1.188 334 Q HN 2.442 nan 8.270 nan 0.000 0.420 335 G N 3.099 111.834 108.800 -0.108 0.000 2.267 335 G HA2 -0.302 3.659 3.960 0.000 0.000 0.257 335 G HA3 -0.302 3.659 3.960 0.000 0.000 0.257 335 G C 0.082 174.959 174.900 -0.038 0.000 0.998 335 G CA 0.108 45.210 45.100 0.004 0.000 0.620 335 G HN 0.519 nan 8.290 nan 0.000 0.529 336 Q N -0.783 118.860 119.800 -0.262 0.000 2.271 336 Q HA 0.608 4.949 4.340 0.000 0.000 0.258 336 Q C -0.900 174.803 176.000 -0.496 0.000 0.936 336 Q CA -0.648 55.030 55.803 -0.209 0.000 0.909 336 Q CB 1.152 29.801 28.738 -0.149 0.000 1.253 336 Q HN 0.418 nan 8.270 nan 0.000 0.440 337 W N 0.524 121.893 121.300 0.114 0.000 2.844 337 W HA 0.564 5.224 4.660 0.000 0.000 0.340 337 W C -0.263 176.353 176.519 0.163 0.000 1.093 337 W CA -0.645 56.793 57.345 0.155 0.000 1.212 337 W CB 2.188 31.794 29.460 0.243 0.000 1.422 337 W HN 0.332 nan 8.180 nan 0.000 0.515 338 T N 1.967 116.736 114.554 0.358 0.000 2.893 338 T HA 0.676 5.026 4.350 0.000 0.000 0.293 338 T C -1.579 173.300 174.700 0.299 0.000 1.027 338 T CA -0.458 61.776 62.100 0.224 0.000 0.988 338 T CB 0.686 69.603 68.868 0.081 0.000 1.043 338 T HN 0.330 nan 8.240 nan 0.000 0.461 339 Y N 1.373 121.765 120.300 0.153 0.000 2.581 339 Y HA 0.859 5.409 4.550 0.000 0.000 0.345 339 Y C -1.290 174.680 175.900 0.116 0.000 1.036 339 Y CA -1.288 56.893 58.100 0.134 0.000 1.042 339 Y CB 1.356 39.898 38.460 0.137 0.000 1.289 339 Y HN 0.449 nan 8.280 nan 0.000 0.471 340 Q N 2.172 122.146 119.800 0.290 0.000 2.331 340 Q HA 0.680 5.020 4.340 0.000 0.000 0.272 340 Q C -1.605 174.546 176.000 0.252 0.000 1.062 340 Q CA -0.534 55.401 55.803 0.220 0.000 0.806 340 Q CB 3.269 32.129 28.738 0.204 0.000 1.312 340 Q HN 0.760 nan 8.270 nan 0.000 0.431 341 I N 3.028 123.729 120.570 0.218 0.000 2.465 341 I HA 0.614 4.784 4.170 0.000 0.000 0.291 341 I C -1.144 175.022 176.117 0.083 0.000 1.014 341 I CA -1.064 60.263 61.300 0.044 0.000 1.093 341 I CB 0.954 38.983 38.000 0.047 0.000 1.267 341 I HN 0.656 nan 8.210 nan 0.000 0.431 342 Y N 2.798 123.070 120.300 -0.046 0.000 2.638 342 Y HA 0.509 5.059 4.550 0.000 0.000 0.335 342 Y C -0.263 175.575 175.900 -0.103 0.000 1.155 342 Y CA -0.932 57.144 58.100 -0.040 0.000 1.046 342 Y CB 1.124 39.593 38.460 0.014 0.000 1.303 342 Y HN 0.474 nan 8.280 nan 0.000 0.460 343 Q N -0.307 119.574 119.800 0.135 0.000 2.431 343 Q HA 0.239 4.579 4.340 0.000 0.000 0.244 343 Q C -0.630 175.451 176.000 0.135 0.000 0.880 343 Q CA 0.204 56.023 55.803 0.028 0.000 0.954 343 Q CB 1.005 29.725 28.738 -0.029 0.000 1.105 343 Q HN 0.535 nan 8.270 nan 0.000 0.558 344 E N 1.510 121.801 120.200 0.152 0.000 2.187 344 E HA 0.306 4.657 4.350 0.000 0.000 0.268 344 E C -2.585 173.899 176.600 -0.194 0.000 0.896 344 E CA -2.588 53.814 56.400 0.004 0.000 0.766 344 E CB 1.452 31.116 29.700 -0.061 0.000 1.142 344 E HN -0.100 nan 8.360 nan 0.000 0.408 345 P HA -0.036 nan 4.420 nan 0.000 0.253 345 P C -0.419 176.142 177.300 -1.231 0.000 1.170 345 P CA 0.791 63.092 63.100 -1.333 0.000 0.806 345 P CB -0.444 30.478 31.700 -1.296 0.000 0.775 346 F N 0.520 119.949 119.950 -0.868 0.000 2.439 346 F HA -0.207 4.320 4.527 0.000 0.000 0.353 346 F C 0.578 176.222 175.800 -0.260 0.000 0.600 346 F CA -0.105 57.596 58.000 -0.498 0.000 1.636 346 F CB -1.334 37.463 39.000 -0.337 0.000 2.155 346 F HN 0.277 nan 8.300 nan 0.000 0.283 347 K N 2.497 122.840 120.400 -0.096 0.000 2.184 347 K HA 0.224 4.544 4.320 0.000 0.000 0.259 347 K C -0.058 176.577 176.600 0.058 0.000 1.119 347 K CA -0.408 55.862 56.287 -0.029 0.000 0.991 347 K CB 0.266 32.741 32.500 -0.042 0.000 1.522 347 K HN 0.050 nan 8.250 nan 0.000 0.405 348 N N 2.626 121.361 118.700 0.058 0.000 2.483 348 N HA -0.005 4.735 4.740 0.000 0.000 0.264 348 N C 1.110 176.697 175.510 0.128 0.000 1.197 348 N CA -0.034 53.093 53.050 0.129 0.000 0.927 348 N CB 0.835 39.362 38.487 0.068 0.000 1.065 348 N HN 0.257 nan 8.380 nan 0.000 0.461 349 L N 2.123 123.482 121.223 0.227 0.000 2.044 349 L HA -0.013 4.328 4.340 0.000 0.000 0.205 349 L C 1.150 178.340 176.870 0.534 0.000 1.075 349 L CA 1.589 56.661 54.840 0.387 0.000 0.747 349 L CB -0.386 41.912 42.059 0.399 0.000 0.903 349 L HN 0.688 nan 8.230 nan 0.000 0.435 350 K N -3.416 117.234 120.400 0.416 0.000 2.571 350 K HA 0.540 4.860 4.320 0.000 0.000 0.289 350 K C -1.079 175.653 176.600 0.219 0.000 1.028 350 K CA -0.787 55.745 56.287 0.408 0.000 0.895 350 K CB 1.570 34.358 32.500 0.479 0.000 1.534 350 K HN -0.303 nan 8.250 nan 0.000 0.421 351 T N -1.002 113.616 114.554 0.107 0.000 2.901 351 T HA 0.840 5.190 4.350 0.000 0.000 0.293 351 T C -0.954 173.547 174.700 -0.332 0.000 1.084 351 T CA -0.072 61.970 62.100 -0.096 0.000 1.008 351 T CB 1.838 70.661 68.868 -0.074 0.000 1.170 351 T HN 0.906 nan 8.240 nan 0.000 0.509 352 G N 0.877 109.160 108.800 -0.863 0.000 2.488 352 G HA2 0.653 4.613 3.960 0.000 0.000 0.301 352 G HA3 0.653 4.613 3.960 0.000 0.000 0.301 352 G C -2.098 172.396 174.900 -0.676 0.000 1.339 352 G CA -0.911 43.699 45.100 -0.817 0.000 0.803 352 G HN 0.813 nan 8.290 nan 0.000 0.482 353 K N -1.600 118.721 120.400 -0.132 0.000 2.443 353 K HA 0.782 5.102 4.320 0.000 0.000 0.251 353 K C -2.061 174.783 176.600 0.406 0.000 0.972 353 K CA -1.114 55.266 56.287 0.155 0.000 0.833 353 K CB 2.891 35.444 32.500 0.088 0.000 1.317 353 K HN 0.670 nan 8.250 nan 0.000 0.441 354 Y N 0.111 120.597 120.300 0.311 0.000 2.433 354 Y HA 0.577 5.128 4.550 0.000 0.000 0.337 354 Y C -1.787 174.298 175.900 0.308 0.000 1.026 354 Y CA -0.364 57.898 58.100 0.270 0.000 1.037 354 Y CB 2.490 41.077 38.460 0.212 0.000 1.245 354 Y HN 0.911 nan 8.280 nan 0.000 0.443 355 A N 6.547 129.130 122.820 -0.395 0.000 3.068 355 A HA 0.449 4.769 4.320 0.000 0.000 0.269 355 A C -1.137 176.232 177.584 -0.359 0.000 1.259 355 A CA -0.537 51.384 52.037 -0.192 0.000 0.938 355 A CB 0.167 19.141 19.000 -0.043 0.000 1.433 355 A HN 0.804 nan 8.150 nan 0.000 0.664 356 R N 0.879 120.990 120.500 -0.647 0.000 2.939 356 R HA 0.851 5.191 4.340 0.000 0.000 0.254 356 R C -1.106 175.114 176.300 -0.133 0.000 1.123 356 R CA -0.945 54.918 56.100 -0.396 0.000 1.020 356 R CB 1.192 31.185 30.300 -0.511 0.000 1.206 356 R HN 0.387 nan 8.270 nan 0.000 0.491 357 M N 2.761 122.336 119.600 -0.043 0.000 2.035 357 M HA 0.335 4.815 4.480 0.000 0.000 0.286 357 M C -1.114 175.210 176.300 0.041 0.000 0.907 357 M CA -0.439 54.874 55.300 0.023 0.000 0.935 357 M CB 1.715 34.320 32.600 0.009 0.000 1.557 357 M HN 0.599 nan 8.290 nan 0.000 0.426 358 R N 1.889 122.438 120.500 0.081 0.000 2.309 358 R HA 0.491 4.831 4.340 0.000 0.000 0.331 358 R C 0.634 176.978 176.300 0.072 0.000 1.116 358 R CA 0.299 56.449 56.100 0.083 0.000 0.970 358 R CB 0.104 30.468 30.300 0.108 0.000 1.024 358 R HN 0.938 nan 8.270 nan 0.000 0.472 359 G N 1.204 110.030 108.800 0.044 0.000 2.663 359 G HA2 -0.136 3.824 3.960 0.000 0.000 0.686 359 G HA3 -0.136 3.824 3.960 0.000 0.000 0.686 359 G C 0.387 175.241 174.900 -0.077 0.000 1.288 359 G CA -0.460 44.648 45.100 0.013 0.000 0.836 359 G HN 0.530 nan 8.290 nan 0.000 0.584 360 A N 0.125 122.805 122.820 -0.233 0.000 1.968 360 A HA 0.306 4.626 4.320 0.000 0.000 0.217 360 A C 1.013 178.266 177.584 -0.551 0.000 1.169 360 A CA 2.046 53.794 52.037 -0.481 0.000 0.638 360 A CB -0.302 18.245 19.000 -0.755 0.000 0.812 360 A HN 1.137 nan 8.150 nan 0.000 0.446 361 H N -1.690 117.429 119.070 0.082 0.000 2.679 361 H HA 0.624 5.180 4.556 0.000 0.000 0.360 361 H C -0.899 174.481 175.328 0.088 0.000 1.105 361 H CA -0.008 56.085 56.048 0.075 0.000 1.196 361 H CB 1.422 31.226 29.762 0.069 0.000 1.636 361 H HN 0.128 nan 8.280 nan 0.000 0.531 362 T N 1.602 116.258 114.554 0.170 0.000 2.769 362 T HA 0.344 4.694 4.350 0.000 0.000 0.306 362 T C -1.269 173.465 174.700 0.057 0.000 1.400 362 T CA -0.873 61.290 62.100 0.104 0.000 1.007 362 T CB 1.776 70.694 68.868 0.083 0.000 1.392 362 T HN 0.872 nan 8.240 nan 0.000 0.500 363 N N 0.403 119.083 118.700 -0.034 0.000 2.577 363 N HA 0.472 5.212 4.740 0.000 0.000 0.285 363 N C 0.012 175.479 175.510 -0.071 0.000 1.309 363 N CA -0.676 52.330 53.050 -0.074 0.000 0.798 363 N CB 0.469 38.837 38.487 -0.198 0.000 1.463 363 N HN 0.365 nan 8.380 nan 0.000 0.518 364 D N -0.502 119.904 120.400 0.011 0.000 2.178 364 D HA -0.054 4.586 4.640 0.000 0.000 0.202 364 D C 1.595 177.850 176.300 -0.075 0.000 0.974 364 D CA 0.839 54.933 54.000 0.156 0.000 0.841 364 D CB -0.074 40.893 40.800 0.277 0.000 0.953 364 D HN 0.357 nan 8.370 nan 0.000 0.478 365 V N 0.662 120.383 119.914 -0.322 0.000 2.358 365 V HA -0.211 3.909 4.120 0.000 0.000 0.246 365 V C 2.260 178.052 176.094 -0.504 0.000 1.047 365 V CA 1.447 63.450 62.300 -0.494 0.000 1.035 365 V CB -0.327 30.960 31.823 -0.893 0.000 0.658 365 V HN 0.123 nan 8.190 nan 0.000 0.452 366 K N -0.291 119.781 120.400 -0.546 0.000 2.057 366 K HA -0.176 4.145 4.320 0.000 0.000 0.206 366 K C 2.351 178.802 176.600 -0.248 0.000 1.050 366 K CA 1.430 57.526 56.287 -0.318 0.000 0.935 366 K CB -0.199 32.163 32.500 -0.230 0.000 0.715 366 K HN 0.503 nan 8.250 nan 0.000 0.439 367 Q N 0.332 119.997 119.800 -0.224 0.000 2.079 367 Q HA -0.157 4.184 4.340 0.000 0.000 0.200 367 Q C 2.151 177.689 176.000 -0.769 0.000 0.974 367 Q CA 1.009 56.655 55.803 -0.262 0.000 0.840 367 Q CB -0.127 28.658 28.738 0.078 0.000 0.898 367 Q HN 0.176 nan 8.270 nan 0.000 0.430 368 L N 0.642 121.316 121.223 -0.916 0.000 2.012 368 L HA -0.184 4.156 4.340 0.000 0.000 0.210 368 L C 2.122 178.513 176.870 -0.799 0.000 1.073 368 L CA 2.042 56.247 54.840 -1.058 0.000 0.748 368 L CB -0.969 40.634 42.059 -0.761 0.000 0.891 368 L HN 0.119 nan 8.230 nan 0.000 0.431 369 T N -0.408 113.796 114.554 -0.582 0.000 2.684 369 T HA -0.219 4.131 4.350 0.000 0.000 0.267 369 T C 1.685 176.095 174.700 -0.484 0.000 1.036 369 T CA 1.880 63.695 62.100 -0.475 0.000 1.148 369 T CB -0.272 68.488 68.868 -0.180 0.000 0.863 369 T HN 0.487 nan 8.240 nan 0.000 0.436 370 E N 1.011 120.928 120.200 -0.472 0.000 2.077 370 E HA -0.056 4.294 4.350 0.000 0.000 0.193 370 E C 2.535 178.636 176.600 -0.831 0.000 0.989 370 E CA 1.007 57.107 56.400 -0.500 0.000 0.800 370 E CB -0.243 29.242 29.700 -0.358 0.000 0.746 370 E HN 0.491 nan 8.360 nan 0.000 0.452 371 A N 0.848 122.988 122.820 -1.133 0.000 1.902 371 A HA -0.141 4.179 4.320 0.000 0.000 0.217 371 A C 2.499 179.667 177.584 -0.692 0.000 1.181 371 A CA 1.110 52.488 52.037 -1.099 0.000 0.623 371 A CB -0.666 17.753 19.000 -0.968 0.000 0.818 371 A HN 0.128 nan 8.150 nan 0.000 0.443 372 V N -0.074 119.406 119.914 -0.723 0.000 2.392 372 V HA -0.289 3.831 4.120 0.000 0.000 0.249 372 V C 2.765 178.545 176.094 -0.525 0.000 1.059 372 V CA 2.423 64.235 62.300 -0.815 0.000 1.051 372 V CB -0.683 30.447 31.823 -1.156 0.000 0.658 372 V HN 0.702 nan 8.190 nan 0.000 0.455 373 Q N 0.638 120.179 119.800 -0.432 0.000 2.046 373 Q HA -0.181 4.159 4.340 0.000 0.000 0.200 373 Q C 2.295 178.191 176.000 -0.174 0.000 0.975 373 Q CA 1.863 57.516 55.803 -0.250 0.000 0.836 373 Q CB -0.487 28.133 28.738 -0.196 0.000 0.896 373 Q HN 0.530 nan 8.270 nan 0.000 0.428 374 K N 0.057 120.323 120.400 -0.223 0.000 2.032 374 K HA -0.164 4.156 4.320 0.000 0.000 0.209 374 K C 2.018 178.542 176.600 -0.126 0.000 1.048 374 K CA 1.692 57.899 56.287 -0.133 0.000 0.927 374 K CB -0.360 32.065 32.500 -0.125 0.000 0.712 374 K HN 0.364 nan 8.250 nan 0.000 0.441 375 I N 0.790 121.230 120.570 -0.216 0.000 2.252 375 I HA -0.234 3.936 4.170 0.000 0.000 0.245 375 I C 2.210 178.325 176.117 -0.004 0.000 1.102 375 I CA 1.305 62.483 61.300 -0.204 0.000 1.385 375 I CB -0.362 37.470 38.000 -0.280 0.000 1.064 375 I HN 0.197 nan 8.210 nan 0.000 0.414 376 T N 0.027 114.627 114.554 0.077 0.000 2.720 376 T HA -0.184 4.166 4.350 0.000 0.000 0.268 376 T C 1.915 176.648 174.700 0.054 0.000 1.037 376 T CA 2.106 64.274 62.100 0.113 0.000 1.144 376 T CB -0.357 68.566 68.868 0.091 0.000 0.864 376 T HN 0.368 nan 8.240 nan 0.000 0.444 377 T N 1.502 116.066 114.554 0.018 0.000 2.701 377 T HA -0.090 4.260 4.350 0.000 0.000 0.263 377 T C 1.900 176.602 174.700 0.004 0.000 1.040 377 T CA 1.135 63.244 62.100 0.015 0.000 1.147 377 T CB -0.330 68.543 68.868 0.009 0.000 0.865 377 T HN 0.443 nan 8.240 nan 0.000 0.426 378 E N 0.716 120.912 120.200 -0.008 0.000 2.136 378 E HA -0.195 4.155 4.350 0.000 0.000 0.202 378 E C 2.335 178.890 176.600 -0.075 0.000 1.019 378 E CA 1.545 57.920 56.400 -0.041 0.000 0.819 378 E CB -0.104 29.586 29.700 -0.017 0.000 0.739 378 E HN 0.377 nan 8.360 nan 0.000 0.458 379 S N 0.265 115.997 115.700 0.052 0.000 2.383 379 S HA -0.099 4.371 4.470 0.000 0.000 0.227 379 S C 2.002 176.680 174.600 0.130 0.000 1.026 379 S CA 0.851 59.186 58.200 0.225 0.000 0.981 379 S CB -0.152 63.220 63.200 0.288 0.000 0.818 379 S HN 0.279 nan 8.310 nan 0.000 0.472 380 I N 1.200 121.809 120.570 0.064 0.000 2.226 380 I HA -0.150 4.020 4.170 0.000 0.000 0.245 380 I C 2.171 178.282 176.117 -0.009 0.000 1.100 380 I CA 0.878 62.205 61.300 0.045 0.000 1.374 380 I CB -0.510 37.517 38.000 0.044 0.000 1.057 380 I HN 0.146 nan 8.210 nan 0.000 0.413 381 V N 1.209 121.093 119.914 -0.051 0.000 2.261 381 V HA -0.287 3.833 4.120 0.000 0.000 0.246 381 V C 2.254 178.235 176.094 -0.189 0.000 1.047 381 V CA 2.010 64.259 62.300 -0.086 0.000 1.015 381 V CB -0.407 31.371 31.823 -0.076 0.000 0.642 381 V HN 0.336 nan 8.190 nan 0.000 0.446 382 I N -1.916 118.417 120.570 -0.395 0.000 2.333 382 I HA -0.141 4.029 4.170 0.000 0.000 0.246 382 I C 1.975 177.642 176.117 -0.751 0.000 1.106 382 I CA 1.417 62.262 61.300 -0.759 0.000 1.411 382 I CB -0.161 36.934 38.000 -1.509 0.000 1.082 382 I HN 0.408 nan 8.210 nan 0.000 0.420 383 W N -0.057 121.121 121.300 -0.203 0.000 2.725 383 W HA 0.372 5.032 4.660 0.000 0.000 0.336 383 W C 1.409 177.843 176.519 -0.142 0.000 1.012 383 W CA 0.539 57.690 57.345 -0.325 0.000 1.566 383 W CB -0.107 29.014 29.460 -0.564 0.000 1.068 383 W HN 0.278 nan 8.180 nan 0.000 0.546 384 G N 2.594 111.449 108.800 0.091 0.000 2.153 384 G HA2 -0.312 3.648 3.960 0.000 0.000 0.252 384 G HA3 -0.312 3.648 3.960 0.000 0.000 0.252 384 G C 0.174 175.136 174.900 0.103 0.000 0.994 384 G CA 1.097 46.248 45.100 0.086 0.000 0.698 384 G HN 0.360 nan 8.290 nan 0.000 0.521 385 K N -1.403 119.073 120.400 0.126 0.000 2.579 385 K HA 0.686 5.006 4.320 0.000 0.000 0.284 385 K C -0.264 176.383 176.600 0.079 0.000 0.990 385 K CA -0.413 55.930 56.287 0.094 0.000 0.880 385 K CB 0.832 33.383 32.500 0.085 0.000 1.488 385 K HN 0.461 nan 8.250 nan 0.000 0.425 386 T N -0.273 114.309 114.554 0.047 0.000 2.889 386 T HA 0.455 4.805 4.350 0.000 0.000 0.291 386 T C -2.001 172.645 174.700 -0.090 0.000 0.995 386 T CA -1.320 60.792 62.100 0.021 0.000 1.092 386 T CB 0.793 69.701 68.868 0.067 0.000 0.954 386 T HN 0.488 nan 8.240 nan 0.000 0.506 387 P HA 0.392 nan 4.420 nan 0.000 0.278 387 P C -0.883 176.126 177.300 -0.486 0.000 1.258 387 P CA -0.888 61.948 63.100 -0.439 0.000 0.811 387 P CB 0.883 32.185 31.700 -0.664 0.000 1.063 388 K N 0.819 120.975 120.400 -0.407 0.000 2.201 388 K HA 0.412 4.732 4.320 0.000 0.000 0.278 388 K C -0.430 175.954 176.600 -0.359 0.000 1.027 388 K CA -0.281 55.852 56.287 -0.256 0.000 0.909 388 K CB 0.352 32.763 32.500 -0.149 0.000 1.062 388 K HN 0.322 nan 8.250 nan 0.000 0.465 389 F N 1.953 121.863 119.950 -0.066 0.000 2.397 389 F HA 0.327 4.854 4.527 0.000 0.000 0.331 389 F C 0.547 176.362 175.800 0.025 0.000 1.090 389 F CA -0.535 57.430 58.000 -0.059 0.000 1.065 389 F CB 1.233 40.164 39.000 -0.115 0.000 1.184 389 F HN 0.108 nan 8.300 nan 0.000 0.499 390 K N 4.757 125.274 120.400 0.195 0.000 2.483 390 K HA 0.578 4.898 4.320 0.000 0.000 0.256 390 K C -1.335 175.365 176.600 0.166 0.000 0.961 390 K CA -0.460 55.930 56.287 0.173 0.000 0.873 390 K CB 1.854 34.419 32.500 0.109 0.000 1.107 390 K HN 0.521 nan 8.250 nan 0.000 0.432 391 L N 4.079 125.425 121.223 0.205 0.000 2.362 391 L HA 0.442 4.782 4.340 0.000 0.000 0.271 391 L C -2.065 174.913 176.870 0.180 0.000 1.002 391 L CA -2.158 52.745 54.840 0.104 0.000 0.818 391 L CB 2.303 44.269 42.059 -0.155 0.000 1.298 391 L HN 0.385 nan 8.230 nan 0.000 0.420 392 P HA 0.217 nan 4.420 nan 0.000 0.214 392 P C -0.634 176.861 177.300 0.325 0.000 1.807 392 P CA 0.288 63.525 63.100 0.228 0.000 0.921 392 P CB 0.230 32.033 31.700 0.173 0.000 1.835 393 I N -0.366 120.459 120.570 0.424 0.000 2.644 393 I HA 0.234 4.404 4.170 0.000 0.000 0.291 393 I C -0.681 175.642 176.117 0.344 0.000 1.180 393 I CA -0.893 60.565 61.300 0.262 0.000 1.040 393 I CB 2.563 40.582 38.000 0.033 0.000 1.255 393 I HN -0.173 nan 8.210 nan 0.000 0.422 394 Q N 6.340 126.118 119.800 -0.037 0.000 2.392 394 Q HA 0.151 4.491 4.340 0.000 0.000 0.262 394 Q C 0.573 176.695 176.000 0.204 0.000 1.003 394 Q CA -0.286 55.355 55.803 -0.270 0.000 0.888 394 Q CB 1.100 29.610 28.738 -0.381 0.000 1.260 394 Q HN 0.594 nan 8.270 nan 0.000 0.435 395 K N 1.927 122.445 120.400 0.197 0.000 2.113 395 K HA -0.233 4.087 4.320 0.000 0.000 0.208 395 K C 1.658 178.451 176.600 0.322 0.000 1.047 395 K CA 1.406 57.887 56.287 0.325 0.000 0.928 395 K CB 0.093 32.611 32.500 0.030 0.000 0.716 395 K HN 0.677 nan 8.250 nan 0.000 0.446 396 E N 0.408 120.691 120.200 0.139 0.000 2.051 396 E HA -0.149 4.201 4.350 0.000 0.000 0.192 396 E C 1.642 178.313 176.600 0.118 0.000 0.991 396 E CA 1.597 58.056 56.400 0.098 0.000 0.799 396 E CB 0.104 29.813 29.700 0.014 0.000 0.748 396 E HN 0.218 nan 8.360 nan 0.000 0.449 397 T N 1.032 115.654 114.554 0.113 0.000 2.720 397 T HA -0.205 4.145 4.350 0.000 0.000 0.268 397 T C 1.280 176.114 174.700 0.223 0.000 1.037 397 T CA 1.388 63.554 62.100 0.110 0.000 1.144 397 T CB -0.492 68.414 68.868 0.063 0.000 0.864 397 T HN 0.473 nan 8.240 nan 0.000 0.444 398 W N 1.973 123.382 121.300 0.182 0.000 2.407 398 W HA -0.106 4.554 4.660 0.000 0.000 0.305 398 W C 1.771 178.547 176.519 0.428 0.000 1.196 398 W CA 1.063 58.577 57.345 0.281 0.000 1.311 398 W CB -0.193 29.468 29.460 0.335 0.000 1.135 398 W HN 0.177 nan 8.180 nan 0.000 0.514 399 E N 0.406 120.776 120.200 0.283 0.000 2.085 399 E HA -0.183 4.167 4.350 0.000 0.000 0.194 399 E C 2.177 178.602 176.600 -0.291 0.000 0.994 399 E CA 2.696 59.132 56.400 0.060 0.000 0.801 399 E CB -0.966 28.836 29.700 0.170 0.000 0.743 399 E HN 0.136 nan 8.360 nan 0.000 0.453 400 T N 0.434 114.918 114.554 -0.117 0.000 2.746 400 T HA -0.153 4.197 4.350 0.000 0.000 0.267 400 T C 1.392 175.991 174.700 -0.168 0.000 1.039 400 T CA 1.167 63.181 62.100 -0.144 0.000 1.142 400 T CB -0.339 68.503 68.868 -0.043 0.000 0.866 400 T HN 0.413 nan 8.240 nan 0.000 0.444 401 W N 1.632 122.760 121.300 -0.286 0.000 2.378 401 W HA -0.097 4.563 4.660 0.000 0.000 0.313 401 W C 2.263 178.576 176.519 -0.343 0.000 1.197 401 W CA 1.182 58.345 57.345 -0.303 0.000 1.304 401 W CB -0.513 28.771 29.460 -0.294 0.000 1.148 401 W HN 0.485 nan 8.180 nan 0.000 0.494 402 W N 2.757 123.685 121.300 -0.619 0.000 2.436 402 W HA -0.130 4.530 4.660 0.000 0.000 0.284 402 W C 2.001 178.276 176.519 -0.407 0.000 1.225 402 W CA 2.062 59.014 57.345 -0.654 0.000 1.271 402 W CB -1.396 27.587 29.460 -0.796 0.000 1.114 402 W HN -0.078 nan 8.180 nan 0.000 0.559 403 T N -0.701 113.083 114.554 -1.284 0.000 2.867 403 T HA -0.160 4.190 4.350 0.000 0.000 0.268 403 T C 1.418 175.763 174.700 -0.591 0.000 1.057 403 T CA 1.716 63.081 62.100 -1.224 0.000 1.136 403 T CB -0.528 67.670 68.868 -1.116 0.000 0.874 403 T HN 0.326 nan 8.240 nan 0.000 0.466 404 E N -0.676 119.228 120.200 -0.492 0.000 2.364 404 E HA 0.160 4.510 4.350 0.000 0.000 0.196 404 E C -0.120 176.288 176.600 -0.319 0.000 0.990 404 E CA -0.347 55.851 56.400 -0.336 0.000 0.886 404 E CB 0.127 29.665 29.700 -0.271 0.000 0.866 404 E HN 0.519 nan 8.360 nan 0.000 0.493 405 Y N 1.608 121.493 120.300 -0.692 0.000 2.336 405 Y HA -0.094 4.456 4.550 0.000 0.000 0.331 405 Y C 1.007 176.644 175.900 -0.439 0.000 1.211 405 Y CA -1.070 56.556 58.100 -0.791 0.000 1.346 405 Y CB 0.411 38.039 38.460 -1.387 0.000 1.271 405 Y HN 0.111 nan 8.280 nan 0.000 0.538 406 W N 3.006 123.841 121.300 -0.775 0.000 2.584 406 W HA 0.078 4.738 4.660 0.000 0.000 0.264 406 W C -0.459 175.779 176.519 -0.468 0.000 1.264 406 W CA 0.012 57.041 57.345 -0.526 0.000 1.306 406 W CB -0.194 29.007 29.460 -0.432 0.000 1.110 406 W HN 0.465 nan 8.180 nan 0.000 0.606 407 Q N 1.194 120.174 119.800 -1.367 0.000 2.299 407 Q HA 0.423 4.763 4.340 0.000 0.000 0.246 407 Q C 0.009 175.867 176.000 -0.237 0.000 0.935 407 Q CA -0.358 54.996 55.803 -0.749 0.000 0.887 407 Q CB 1.716 29.915 28.738 -0.899 0.000 1.223 407 Q HN 0.021 nan 8.270 nan 0.000 0.439 408 A N 2.184 124.975 122.820 -0.049 0.000 2.491 408 A HA 0.304 4.624 4.320 0.000 0.000 0.261 408 A C -0.141 177.493 177.584 0.083 0.000 1.101 408 A CA 0.078 52.140 52.037 0.043 0.000 0.772 408 A CB -0.138 18.890 19.000 0.047 0.000 1.043 408 A HN 0.657 nan 8.150 nan 0.000 0.501 409 T N 0.740 115.385 114.554 0.152 0.000 2.921 409 T HA 0.642 4.992 4.350 0.000 0.000 0.297 409 T C -0.872 174.020 174.700 0.319 0.000 1.013 409 T CA -0.526 61.715 62.100 0.236 0.000 0.990 409 T CB 1.335 70.377 68.868 0.290 0.000 1.023 409 T HN 1.057 nan 8.240 nan 0.000 0.447 410 W N 5.796 127.157 121.300 0.102 0.000 3.274 410 W HA 0.612 5.272 4.660 0.001 0.000 0.327 410 W C -2.225 174.289 176.519 -0.009 0.000 1.172 410 W CA -1.452 55.918 57.345 0.042 0.000 1.217 410 W CB 1.480 30.913 29.460 -0.045 0.000 1.376 410 W HN 0.936 nan 8.180 nan 0.000 0.507 411 I N 4.052 124.095 120.570 -0.880 0.000 2.582 411 I HA 0.596 4.766 4.170 0.000 0.000 0.292 411 I C -2.310 172.904 176.117 -1.505 0.000 1.066 411 I CA -2.665 57.941 61.300 -1.156 0.000 1.053 411 I CB 1.927 39.255 38.000 -1.120 0.000 1.241 411 I HN 0.102 nan 8.210 nan 0.000 0.421 412 P HA 0.055 nan 4.420 nan 0.000 0.282 412 P C -0.262 176.923 177.300 -0.192 0.000 1.286 412 P CA -0.234 62.546 63.100 -0.535 0.000 0.777 412 P CB 0.468 32.119 31.700 -0.082 0.000 1.184 413 E N 0.513 120.697 120.200 -0.027 0.000 3.025 413 E HA -0.086 4.265 4.350 0.000 0.000 0.248 413 E C -0.629 176.059 176.600 0.147 0.000 0.938 413 E CA 0.424 56.835 56.400 0.018 0.000 0.958 413 E CB -0.054 29.658 29.700 0.019 0.000 0.898 413 E HN 0.330 nan 8.360 nan 0.000 0.537 414 W N 3.220 124.445 121.300 -0.125 0.000 3.075 414 W HA 0.602 5.262 4.660 0.000 0.000 0.334 414 W C -1.245 175.240 176.519 -0.057 0.000 1.243 414 W CA -0.974 56.321 57.345 -0.084 0.000 1.170 414 W CB 0.643 29.993 29.460 -0.183 0.000 1.452 414 W HN 0.352 nan 8.180 nan 0.000 0.572 415 E N 1.141 121.414 120.200 0.121 0.000 2.317 415 E HA 0.369 4.719 4.350 0.000 0.000 0.270 415 E C -1.487 175.286 176.600 0.287 0.000 0.885 415 E CA -1.097 55.290 56.400 -0.022 0.000 0.760 415 E CB 3.071 32.770 29.700 -0.001 0.000 1.227 415 E HN 0.260 nan 8.360 nan 0.000 0.434 416 F N 2.758 122.752 119.950 0.073 0.000 2.484 416 F HA 0.332 4.859 4.527 0.000 0.000 0.360 416 F C -0.750 175.134 175.800 0.140 0.000 1.101 416 F CA -0.220 57.908 58.000 0.213 0.000 1.251 416 F CB 0.734 39.820 39.000 0.143 0.000 1.132 416 F HN 0.132 nan 8.300 nan 0.000 0.570 417 V N 6.812 126.302 119.914 -0.707 0.000 2.638 417 V HA 0.332 4.452 4.120 0.000 0.000 0.306 417 V C -0.892 174.606 176.094 -0.993 0.000 1.052 417 V CA -0.880 60.990 62.300 -0.717 0.000 0.885 417 V CB 1.638 33.339 31.823 -0.205 0.000 0.999 417 V HN 0.824 nan 8.190 nan 0.000 0.424 418 N N 4.286 122.506 118.700 -0.800 0.000 2.895 418 N HA 0.188 4.928 4.740 0.000 0.000 0.277 418 N C -0.147 175.288 175.510 -0.126 0.000 1.185 418 N CA 0.211 53.046 53.050 -0.359 0.000 1.106 418 N CB 0.215 38.646 38.487 -0.094 0.000 1.422 418 N HN 0.861 nan 8.380 nan 0.000 0.521 419 T N 0.516 115.021 114.554 -0.082 0.000 3.060 419 T HA 0.489 4.839 4.350 0.000 0.000 0.367 419 T C -2.702 172.013 174.700 0.025 0.000 1.229 419 T CA -1.970 60.114 62.100 -0.026 0.000 1.104 419 T CB 1.347 70.197 68.868 -0.029 0.000 1.083 419 T HN 0.087 nan 8.240 nan 0.000 0.524 420 P HA 0.320 nan 4.420 nan 0.000 0.272 420 P C -2.203 175.115 177.300 0.029 0.000 1.230 420 P CA -1.235 61.897 63.100 0.053 0.000 0.788 420 P CB -0.284 31.446 31.700 0.051 0.000 0.949 421 P HA 0.152 nan 4.420 nan 0.000 0.271 421 P C -0.802 176.555 177.300 0.095 0.000 1.220 421 P CA -0.093 63.044 63.100 0.061 0.000 0.768 421 P CB 0.323 32.050 31.700 0.044 0.000 0.848 422 L N 3.506 124.800 121.223 0.118 0.000 2.395 422 L HA 0.156 4.496 4.340 0.000 0.000 0.269 422 L C 0.407 177.353 176.870 0.127 0.000 1.133 422 L CA -0.532 54.398 54.840 0.150 0.000 0.812 422 L CB 0.931 43.084 42.059 0.156 0.000 1.125 422 L HN 0.166 nan 8.230 nan 0.000 0.452 423 V N 4.384 124.385 119.914 0.144 0.000 2.455 423 V HA 0.348 4.468 4.120 0.000 0.000 0.273 423 V C 0.238 176.335 176.094 0.004 0.000 1.045 423 V CA -0.432 61.939 62.300 0.120 0.000 0.976 423 V CB 0.431 32.335 31.823 0.136 0.000 0.993 423 V HN 0.861 nan 8.190 nan 0.000 0.475 424 K N 4.753 125.105 120.400 -0.081 0.000 2.509 424 K HA 0.736 5.056 4.320 0.000 0.000 0.266 424 K C -1.593 174.824 176.600 -0.305 0.000 0.987 424 K CA -1.122 55.013 56.287 -0.252 0.000 0.868 424 K CB 2.020 34.250 32.500 -0.449 0.000 1.421 424 K HN 0.312 nan 8.250 nan 0.000 0.444 425 L N 1.429 122.476 121.223 -0.294 0.000 2.276 425 L HA 0.285 4.625 4.340 0.000 0.000 0.286 425 L C 0.070 176.752 176.870 -0.313 0.000 1.061 425 L CA -0.556 54.143 54.840 -0.235 0.000 0.807 425 L CB 0.421 42.392 42.059 -0.145 0.000 1.177 425 L HN 0.691 nan 8.230 nan 0.000 0.429 426 W N 2.454 123.668 121.300 -0.144 0.000 2.863 426 W HA 0.077 4.737 4.660 0.000 0.000 0.258 426 W C 0.085 176.663 176.519 0.098 0.000 1.298 426 W CA -0.079 57.259 57.345 -0.011 0.000 1.451 426 W CB 0.172 29.663 29.460 0.053 0.000 1.107 426 W HN 0.483 nan 8.180 nan 0.000 0.641 427 Y N -2.139 118.274 120.300 0.189 0.000 2.705 427 Y HA 0.696 5.246 4.550 0.000 0.000 0.332 427 Y C -1.072 174.883 175.900 0.092 0.000 1.221 427 Y CA -2.251 55.921 58.100 0.119 0.000 1.059 427 Y CB 0.828 39.359 38.460 0.118 0.000 1.298 427 Y HN -0.233 nan 8.280 nan 0.000 0.459 428 Q N 1.242 121.201 119.800 0.266 0.000 2.284 428 Q HA 0.570 4.910 4.340 0.000 0.000 0.269 428 Q C -2.120 174.015 176.000 0.225 0.000 1.026 428 Q CA -0.494 55.407 55.803 0.163 0.000 0.831 428 Q CB 2.154 30.939 28.738 0.079 0.000 1.322 428 Q HN 0.842 nan 8.270 nan 0.000 0.419 429 L N 3.022 124.368 121.223 0.205 0.000 2.349 429 L HA 0.366 4.706 4.340 0.000 0.000 0.275 429 L C 0.423 177.374 176.870 0.135 0.000 1.115 429 L CA -0.834 54.102 54.840 0.160 0.000 0.820 429 L CB 0.713 42.848 42.059 0.127 0.000 1.135 429 L HN 0.575 nan 8.230 nan 0.000 0.445 430 E N 2.127 122.424 120.200 0.161 0.000 2.437 430 E HA -0.043 4.307 4.350 0.000 0.000 0.263 430 E C 0.307 177.062 176.600 0.258 0.000 1.030 430 E CA 0.109 56.622 56.400 0.187 0.000 0.934 430 E CB 0.655 30.476 29.700 0.201 0.000 0.943 430 E HN 0.327 nan 8.360 nan 0.000 0.444 431 K N 0.942 121.445 120.400 0.171 0.000 2.400 431 K HA 0.064 4.384 4.320 0.000 0.000 0.194 431 K C 0.047 176.750 176.600 0.171 0.000 1.033 431 K CA 0.566 56.954 56.287 0.167 0.000 1.021 431 K CB 0.459 33.001 32.500 0.070 0.000 0.808 431 K HN 0.293 nan 8.250 nan 0.000 0.505 432 E N -0.692 119.510 120.200 0.003 0.000 2.408 432 E HA 0.313 4.663 4.350 0.000 0.000 0.275 432 E C -2.812 173.249 176.600 -0.899 0.000 0.935 432 E CA -2.585 53.595 56.400 -0.368 0.000 0.775 432 E CB 1.217 30.805 29.700 -0.186 0.000 1.277 432 E HN -0.287 nan 8.360 nan 0.000 0.455 433 P HA 0.108 nan 4.420 nan 0.000 0.266 433 P C -0.273 176.831 177.300 -0.326 0.000 1.195 433 P CA 0.298 62.917 63.100 -0.802 0.000 0.768 433 P CB 0.287 31.713 31.700 -0.456 0.000 0.838 434 I N 2.711 123.185 120.570 -0.160 0.000 2.352 434 I HA 0.104 4.274 4.170 0.000 0.000 0.290 434 I C 0.455 176.546 176.117 -0.044 0.000 1.036 434 I CA -0.721 60.541 61.300 -0.064 0.000 1.336 434 I CB 0.760 38.758 38.000 -0.002 0.000 1.407 434 I HN 0.032 nan 8.210 nan 0.000 0.497 435 V N 6.376 126.265 119.914 -0.042 0.000 2.637 435 V HA 0.214 4.334 4.120 0.000 0.000 0.296 435 V C 1.240 177.330 176.094 -0.008 0.000 1.046 435 V CA 1.099 63.384 62.300 -0.025 0.000 1.066 435 V CB 0.853 32.661 31.823 -0.025 0.000 0.968 435 V HN 1.135 nan 8.190 nan 0.000 0.483 436 G N 3.931 112.731 108.800 -0.000 0.000 2.153 436 G HA2 -0.072 3.888 3.960 0.000 0.000 0.252 436 G HA3 -0.072 3.888 3.960 0.000 0.000 0.252 436 G C 0.183 175.092 174.900 0.016 0.000 0.994 436 G CA 0.199 45.303 45.100 0.007 0.000 0.698 436 G HN 1.539 nan 8.290 nan 0.000 0.521 437 A N -0.423 122.410 122.820 0.022 0.000 2.337 437 A HA 0.771 5.091 4.320 0.000 0.000 0.329 437 A C 0.146 177.764 177.584 0.057 0.000 1.146 437 A CA -0.086 51.976 52.037 0.041 0.000 0.800 437 A CB 1.007 20.032 19.000 0.041 0.000 1.220 437 A HN 0.521 nan 8.150 nan 0.000 0.472 438 E N 1.375 121.626 120.200 0.086 0.000 2.324 438 E HA 0.219 4.569 4.350 0.000 0.000 0.271 438 E C -0.581 176.113 176.600 0.158 0.000 1.028 438 E CA 0.041 56.494 56.400 0.088 0.000 0.890 438 E CB 0.424 30.181 29.700 0.094 0.000 1.004 438 E HN 0.557 nan 8.360 nan 0.000 0.431 439 T N 5.499 120.104 114.554 0.086 0.000 2.729 439 T HA 0.201 4.551 4.350 0.000 0.000 0.296 439 T C -0.620 174.114 174.700 0.056 0.000 0.928 439 T CA -0.186 61.961 62.100 0.079 0.000 1.045 439 T CB -0.132 68.752 68.868 0.026 0.000 0.902 439 T HN 0.221 nan 8.240 nan 0.000 0.500 440 F N 2.983 122.864 119.950 -0.115 0.000 2.405 440 F HA 0.372 4.899 4.527 0.000 0.000 0.355 440 F C 0.001 175.735 175.800 -0.110 0.000 1.121 440 F CA -1.404 56.551 58.000 -0.075 0.000 1.112 440 F CB 0.505 39.389 39.000 -0.193 0.000 1.126 440 F HN 0.503 nan 8.300 nan 0.000 0.481 441 Y N 3.230 123.617 120.300 0.146 0.000 2.425 441 Y HA 0.458 5.008 4.550 0.000 0.000 0.347 441 Y C 0.268 176.264 175.900 0.159 0.000 0.976 441 Y CA -1.028 57.136 58.100 0.108 0.000 1.190 441 Y CB 0.699 39.187 38.460 0.047 0.000 1.136 441 Y HN 0.391 nan 8.280 nan 0.000 0.517 442 V N 0.002 120.051 119.914 0.226 0.000 2.732 442 V HA 0.826 4.946 4.120 0.000 0.000 0.310 442 V C -0.770 175.411 176.094 0.144 0.000 1.053 442 V CA -0.536 61.891 62.300 0.212 0.000 0.957 442 V CB 2.108 34.030 31.823 0.164 0.000 1.018 442 V HN 0.633 nan 8.190 nan 0.000 0.452 443 D N 0.553 121.031 120.400 0.131 0.000 2.654 443 D HA 0.723 5.364 4.640 0.000 0.000 0.231 443 D C -0.544 175.807 176.300 0.085 0.000 1.239 443 D CA 0.409 54.462 54.000 0.087 0.000 0.790 443 D CB 2.211 43.048 40.800 0.062 0.000 1.480 443 D HN 1.170 nan 8.370 nan 0.000 0.442 444 G N -0.143 108.701 108.800 0.075 0.000 2.638 444 G HA2 0.785 4.745 3.960 0.000 0.000 0.302 444 G HA3 0.785 4.745 3.960 0.000 0.000 0.302 444 G C -1.552 173.387 174.900 0.065 0.000 1.365 444 G CA -0.406 44.737 45.100 0.072 0.000 0.987 444 G HN 0.563 nan 8.290 nan 0.000 0.495 445 A N 0.176 123.030 122.820 0.057 0.000 2.427 445 A HA 0.947 5.267 4.320 0.000 0.000 0.298 445 A C -0.417 177.193 177.584 0.043 0.000 1.036 445 A CA -0.106 51.964 52.037 0.055 0.000 0.701 445 A CB 1.716 20.750 19.000 0.057 0.000 1.250 445 A HN 2.173 nan 8.150 nan 0.000 0.412 446 A N 2.341 125.184 122.820 0.039 0.000 2.374 446 A HA 0.668 4.988 4.320 0.000 0.000 0.305 446 A C -0.373 177.225 177.584 0.024 0.000 1.053 446 A CA -0.708 51.347 52.037 0.029 0.000 0.726 446 A CB 0.848 19.864 19.000 0.027 0.000 1.229 446 A HN 0.839 nan 8.150 nan 0.000 0.431 447 N N 1.193 119.904 118.700 0.019 0.000 2.483 447 N HA 0.030 4.770 4.740 0.000 0.000 0.264 447 N C 0.830 176.347 175.510 0.012 0.000 1.197 447 N CA 0.104 53.163 53.050 0.015 0.000 0.927 447 N CB 0.946 39.440 38.487 0.012 0.000 1.065 447 N HN 0.676 nan 8.380 nan 0.000 0.461 448 R N 2.615 123.121 120.500 0.010 0.000 2.148 448 R HA -0.032 4.308 4.340 0.000 0.000 0.223 448 R C 1.009 177.313 176.300 0.006 0.000 1.088 448 R CA 1.475 57.579 56.100 0.007 0.000 0.985 448 R CB 0.249 30.552 30.300 0.006 0.000 0.880 448 R HN 0.650 nan 8.270 nan 0.000 0.451 449 E N -1.930 118.273 120.200 0.006 0.000 2.127 449 E HA -0.014 4.336 4.350 0.000 0.000 0.191 449 E C 1.666 178.270 176.600 0.006 0.000 0.964 449 E CA 1.497 57.900 56.400 0.005 0.000 0.832 449 E CB 0.022 29.724 29.700 0.004 0.000 0.790 449 E HN 0.390 nan 8.360 nan 0.000 0.465 450 T N -1.406 113.152 114.554 0.007 0.000 3.067 450 T HA 0.044 4.394 4.350 0.000 0.000 0.261 450 T C 0.622 175.328 174.700 0.009 0.000 1.110 450 T CA 0.319 62.423 62.100 0.007 0.000 1.113 450 T CB -0.149 68.724 68.868 0.008 0.000 0.917 450 T HN -0.088 nan 8.240 nan 0.000 0.499 451 K N 0.231 120.637 120.400 0.010 0.000 3.020 451 K HA -0.113 4.207 4.320 0.000 0.000 0.266 451 K C -0.182 176.427 176.600 0.014 0.000 1.067 451 K CA 0.358 56.652 56.287 0.012 0.000 0.780 451 K CB -2.572 29.934 32.500 0.010 0.000 1.220 451 K HN 0.545 nan 8.250 nan 0.000 0.483 452 L N -0.460 120.772 121.223 0.014 0.000 2.439 452 L HA 0.566 4.906 4.340 0.000 0.000 0.261 452 L C 1.081 177.963 176.870 0.020 0.000 1.153 452 L CA 0.157 55.007 54.840 0.016 0.000 0.808 452 L CB 1.226 43.293 42.059 0.013 0.000 1.126 452 L HN 0.300 nan 8.230 nan 0.000 0.460 453 G N 1.237 110.051 108.800 0.023 0.000 2.690 453 G HA2 0.566 4.526 3.960 0.000 0.000 0.291 453 G HA3 0.566 4.526 3.960 0.000 0.000 0.291 453 G C -1.728 173.190 174.900 0.029 0.000 1.403 453 G CA -0.506 44.611 45.100 0.028 0.000 0.864 453 G HN 0.295 nan 8.290 nan 0.000 0.480 454 K N -0.060 120.359 120.400 0.032 0.000 2.507 454 K HA 0.686 5.006 4.320 0.000 0.000 0.251 454 K C -0.998 175.626 176.600 0.040 0.000 0.943 454 K CA -0.643 55.661 56.287 0.029 0.000 0.794 454 K CB 2.437 34.949 32.500 0.021 0.000 1.188 454 K HN 0.772 nan 8.250 nan 0.000 0.428 455 A N 1.628 124.474 122.820 0.043 0.000 2.355 455 A HA 0.919 5.239 4.320 0.000 0.000 0.317 455 A C -0.291 177.321 177.584 0.047 0.000 1.094 455 A CA -0.463 51.612 52.037 0.063 0.000 0.764 455 A CB 1.750 20.801 19.000 0.085 0.000 1.230 455 A HN 0.749 nan 8.150 nan 0.000 0.448 456 G N -0.164 108.676 108.800 0.067 0.000 2.600 456 G HA2 0.687 4.647 3.960 0.000 0.000 0.293 456 G HA3 0.687 4.647 3.960 0.000 0.000 0.293 456 G C -1.502 173.484 174.900 0.144 0.000 1.408 456 G CA -0.096 45.015 45.100 0.017 0.000 0.782 456 G HN 1.778 nan 8.290 nan 0.000 0.482 457 Y N -2.386 117.977 120.300 0.105 0.000 2.597 457 Y HA 0.833 5.383 4.550 0.000 0.000 0.340 457 Y C -1.273 174.668 175.900 0.069 0.000 1.097 457 Y CA -1.683 56.500 58.100 0.138 0.000 1.037 457 Y CB 1.491 40.118 38.460 0.278 0.000 1.305 457 Y HN 0.550 nan 8.280 nan 0.000 0.463 458 V N 2.030 122.140 119.914 0.327 0.000 2.735 458 V HA 0.788 4.909 4.120 0.000 0.000 0.310 458 V C -0.317 175.877 176.094 0.167 0.000 1.061 458 V CA 0.036 62.439 62.300 0.172 0.000 0.913 458 V CB 2.170 34.022 31.823 0.048 0.000 1.005 458 V HN 1.165 nan 8.190 nan 0.000 0.428 459 T N 0.162 114.727 114.554 0.018 0.000 2.907 459 T HA 0.317 4.668 4.350 0.000 0.000 0.290 459 T C 0.719 175.396 174.700 -0.039 0.000 1.066 459 T CA -0.386 61.650 62.100 -0.106 0.000 1.012 459 T CB 1.730 70.273 68.868 -0.542 0.000 1.184 459 T HN 0.668 nan 8.240 nan 0.000 0.522 460 N N 0.425 119.122 118.700 -0.005 0.000 2.515 460 N HA -0.023 4.717 4.740 0.000 0.000 0.185 460 N C 1.176 176.670 175.510 -0.026 0.000 1.109 460 N CA 0.179 53.235 53.050 0.010 0.000 0.903 460 N CB -0.226 38.298 38.487 0.063 0.000 0.969 460 N HN 0.442 nan 8.380 nan 0.000 0.450 461 R N -0.421 120.042 120.500 -0.062 0.000 2.317 461 R HA 0.224 4.564 4.340 0.000 0.000 0.208 461 R C 1.134 177.407 176.300 -0.045 0.000 0.914 461 R CA 0.656 56.725 56.100 -0.052 0.000 1.060 461 R CB -0.245 30.014 30.300 -0.068 0.000 1.015 461 R HN 0.438 nan 8.270 nan 0.000 0.498 462 G N 0.029 108.800 108.800 -0.049 0.000 2.194 462 G HA2 -0.304 3.656 3.960 0.000 0.000 0.236 462 G HA3 -0.304 3.656 3.960 0.000 0.000 0.236 462 G C 0.141 175.027 174.900 -0.024 0.000 0.987 462 G CA -0.081 44.999 45.100 -0.035 0.000 0.635 462 G HN 0.278 nan 8.290 nan 0.000 0.520 463 R N 0.590 121.075 120.500 -0.023 0.000 2.738 463 R HA 0.516 4.856 4.340 0.000 0.000 0.268 463 R C 0.308 176.644 176.300 0.060 0.000 1.062 463 R CA 0.510 56.631 56.100 0.036 0.000 1.158 463 R CB 0.221 30.578 30.300 0.095 0.000 1.046 463 R HN 0.549 nan 8.270 nan 0.000 0.493 464 Q N 1.080 120.881 119.800 0.001 0.000 2.435 464 Q HA 0.482 4.822 4.340 0.000 0.000 0.282 464 Q C -1.409 174.381 176.000 -0.351 0.000 1.020 464 Q CA -1.019 54.699 55.803 -0.141 0.000 0.820 464 Q CB 3.284 31.969 28.738 -0.089 0.000 1.436 464 Q HN 0.457 nan 8.270 nan 0.000 0.395 465 K N 0.397 120.468 120.400 -0.548 0.000 2.639 465 K HA 0.579 4.899 4.320 0.000 0.000 0.279 465 K C -2.191 174.188 176.600 -0.367 0.000 0.976 465 K CA -0.474 55.512 56.287 -0.501 0.000 0.861 465 K CB 2.229 34.291 32.500 -0.731 0.000 1.436 465 K HN 0.418 nan 8.250 nan 0.000 0.400 466 V N 2.930 122.727 119.914 -0.196 0.000 2.851 466 V HA 0.545 4.665 4.120 0.000 0.000 0.307 466 V C -0.745 175.313 176.094 -0.059 0.000 1.129 466 V CA -0.698 61.540 62.300 -0.104 0.000 0.932 466 V CB 1.833 33.614 31.823 -0.069 0.000 1.024 466 V HN 0.637 nan 8.190 nan 0.000 0.426 467 V N 1.273 121.172 119.914 -0.024 0.000 3.113 467 V HA 0.905 5.025 4.120 0.000 0.000 0.316 467 V C -0.355 175.745 176.094 0.011 0.000 1.125 467 V CA -0.610 61.689 62.300 -0.002 0.000 1.026 467 V CB 2.372 34.203 31.823 0.014 0.000 1.080 467 V HN 0.789 nan 8.190 nan 0.000 0.444 468 T N 2.789 117.352 114.554 0.016 0.000 2.824 468 T HA 0.803 5.153 4.350 0.000 0.000 0.282 468 T C -0.674 174.041 174.700 0.026 0.000 0.993 468 T CA -0.235 61.876 62.100 0.018 0.000 0.967 468 T CB 1.182 70.057 68.868 0.011 0.000 0.960 468 T HN 0.672 nan 8.240 nan 0.000 0.441 469 L N 2.318 123.558 121.223 0.028 0.000 2.354 469 L HA 0.810 5.151 4.340 0.000 0.000 0.264 469 L C 0.326 177.212 176.870 0.026 0.000 1.008 469 L CA -0.941 53.919 54.840 0.032 0.000 0.819 469 L CB 2.444 44.528 42.059 0.041 0.000 1.339 469 L HN 0.737 nan 8.230 nan 0.000 0.420 470 T N -2.911 111.659 114.554 0.025 0.000 2.863 470 T HA 0.437 4.787 4.350 0.000 0.000 0.285 470 T C -0.164 174.548 174.700 0.020 0.000 1.009 470 T CA -0.494 61.618 62.100 0.020 0.000 0.989 470 T CB 1.426 70.304 68.868 0.017 0.000 1.004 470 T HN 0.695 nan 8.240 nan 0.000 0.455 471 D N 1.506 121.916 120.400 0.017 0.000 2.704 471 D HA -0.151 4.489 4.640 0.000 0.000 0.232 471 D C 0.308 176.620 176.300 0.019 0.000 1.183 471 D CA 1.658 55.668 54.000 0.016 0.000 0.647 471 D CB -0.912 39.897 40.800 0.014 0.000 1.013 471 D HN 0.953 nan 8.370 nan 0.000 0.415 472 T N -2.611 111.956 114.554 0.021 0.000 2.937 472 T HA 0.762 5.112 4.350 0.000 0.000 0.283 472 T C 0.652 175.363 174.700 0.018 0.000 1.012 472 T CA -0.361 61.754 62.100 0.024 0.000 0.997 472 T CB 1.819 70.707 68.868 0.033 0.000 1.136 472 T HN 0.177 nan 8.240 nan 0.000 0.551 473 T N -1.424 113.139 114.554 0.016 0.000 2.949 473 T HA 0.427 4.777 4.350 0.000 0.000 0.287 473 T C 0.989 175.694 174.700 0.009 0.000 1.034 473 T CA -1.044 61.058 62.100 0.003 0.000 1.018 473 T CB 1.145 70.004 68.868 -0.016 0.000 1.135 473 T HN 0.464 nan 8.240 nan 0.000 0.532 474 N N 0.266 118.967 118.700 0.001 0.000 2.166 474 N HA -0.135 4.605 4.740 0.000 0.000 0.186 474 N C 1.936 177.455 175.510 0.014 0.000 1.019 474 N CA 1.287 54.347 53.050 0.016 0.000 0.856 474 N CB -0.188 38.310 38.487 0.019 0.000 0.993 474 N HN 0.632 nan 8.380 nan 0.000 0.426 475 Q N 1.051 120.820 119.800 -0.051 0.000 2.014 475 Q HA -0.142 4.198 4.340 0.000 0.000 0.207 475 Q C 1.924 177.967 176.000 0.072 0.000 0.993 475 Q CA 1.418 57.163 55.803 -0.097 0.000 0.850 475 Q CB -0.179 28.331 28.738 -0.381 0.000 0.916 475 Q HN 0.346 nan 8.270 nan 0.000 0.417 476 K N -0.024 120.409 120.400 0.054 0.000 2.103 476 K HA -0.143 4.177 4.320 0.000 0.000 0.207 476 K C 2.325 178.981 176.600 0.094 0.000 1.048 476 K CA 1.760 58.099 56.287 0.087 0.000 0.930 476 K CB -0.208 32.328 32.500 0.059 0.000 0.716 476 K HN 0.401 nan 8.250 nan 0.000 0.444 477 T N -0.796 113.806 114.554 0.080 0.000 2.904 477 T HA -0.046 4.304 4.350 0.000 0.000 0.267 477 T C 1.628 176.390 174.700 0.103 0.000 1.059 477 T CA 0.656 62.807 62.100 0.084 0.000 1.137 477 T CB 0.009 68.917 68.868 0.068 0.000 0.879 477 T HN 0.070 nan 8.240 nan 0.000 0.467 478 E N 1.054 121.325 120.200 0.117 0.000 2.072 478 E HA -0.004 4.346 4.350 0.000 0.000 0.191 478 E C 2.175 178.855 176.600 0.135 0.000 0.985 478 E CA 0.613 57.093 56.400 0.133 0.000 0.801 478 E CB -0.366 29.433 29.700 0.165 0.000 0.750 478 E HN 0.339 nan 8.360 nan 0.000 0.452 479 L N 1.190 122.502 121.223 0.148 0.000 2.046 479 L HA -0.172 4.168 4.340 0.000 0.000 0.208 479 L C 2.436 179.380 176.870 0.123 0.000 1.077 479 L CA 1.523 56.430 54.840 0.112 0.000 0.747 479 L CB -1.060 41.064 42.059 0.109 0.000 0.896 479 L HN 0.093 nan 8.230 nan 0.000 0.432 480 Q N -0.626 119.254 119.800 0.133 0.000 2.084 480 Q HA -0.093 4.247 4.340 0.000 0.000 0.202 480 Q C 2.248 178.352 176.000 0.174 0.000 0.978 480 Q CA 1.833 57.736 55.803 0.167 0.000 0.844 480 Q CB -0.276 28.541 28.738 0.131 0.000 0.898 480 Q HN 0.463 nan 8.270 nan 0.000 0.426 481 A N -0.129 122.776 122.820 0.143 0.000 1.902 481 A HA -0.154 4.166 4.320 0.000 0.000 0.217 481 A C 2.102 179.770 177.584 0.140 0.000 1.181 481 A CA 1.459 53.587 52.037 0.151 0.000 0.623 481 A CB -0.674 18.410 19.000 0.139 0.000 0.818 481 A HN 0.451 nan 8.150 nan 0.000 0.443 482 I N -2.122 118.514 120.570 0.109 0.000 2.315 482 I HA -0.211 3.959 4.170 0.000 0.000 0.248 482 I C 2.416 178.569 176.117 0.060 0.000 1.117 482 I CA 1.273 62.606 61.300 0.054 0.000 1.404 482 I CB -0.271 37.749 38.000 0.033 0.000 1.071 482 I HN 0.514 nan 8.210 nan 0.000 0.419 483 Y N 1.394 121.678 120.300 -0.027 0.000 2.242 483 Y HA -0.199 4.352 4.550 0.000 0.000 0.291 483 Y C 2.222 178.105 175.900 -0.029 0.000 1.137 483 Y CA 1.307 59.384 58.100 -0.039 0.000 1.181 483 Y CB -0.385 38.067 38.460 -0.014 0.000 0.989 483 Y HN 0.030 nan 8.280 nan 0.000 0.527 484 L N -0.485 120.704 121.223 -0.055 0.000 1.990 484 L HA -0.307 4.034 4.340 0.000 0.000 0.213 484 L C 2.686 179.498 176.870 -0.097 0.000 1.072 484 L CA 1.662 56.481 54.840 -0.036 0.000 0.755 484 L CB -1.007 41.182 42.059 0.217 0.000 0.889 484 L HN 0.347 nan 8.230 nan 0.000 0.432 485 A N -0.452 122.259 122.820 -0.181 0.000 1.930 485 A HA -0.146 4.174 4.320 0.000 0.000 0.217 485 A C 2.186 179.275 177.584 -0.824 0.000 1.175 485 A CA 1.228 52.834 52.037 -0.718 0.000 0.627 485 A CB -0.538 18.102 19.000 -0.601 0.000 0.815 485 A HN 0.392 nan 8.150 nan 0.000 0.443 486 L N -1.180 119.780 121.223 -0.440 0.000 2.056 486 L HA -0.209 4.131 4.340 0.000 0.000 0.207 486 L C 2.864 179.557 176.870 -0.294 0.000 1.078 486 L CA 1.405 56.048 54.840 -0.329 0.000 0.749 486 L CB -0.519 41.447 42.059 -0.155 0.000 0.901 486 L HN 0.460 nan 8.230 nan 0.000 0.433 487 Q N -0.169 119.435 119.800 -0.326 0.000 2.084 487 Q HA -0.199 4.141 4.340 0.000 0.000 0.202 487 Q C 0.798 176.697 176.000 -0.168 0.000 0.978 487 Q CA 1.421 57.057 55.803 -0.277 0.000 0.844 487 Q CB 0.103 28.606 28.738 -0.393 0.000 0.898 487 Q HN 0.425 nan 8.270 nan 0.000 0.426 488 D N -0.306 119.998 120.400 -0.160 0.000 2.336 488 D HA 0.112 4.752 4.640 0.000 0.000 0.228 488 D C -0.417 175.873 176.300 -0.017 0.000 1.120 488 D CA 0.203 54.193 54.000 -0.017 0.000 0.839 488 D CB 0.486 41.391 40.800 0.175 0.000 0.932 488 D HN -0.086 nan 8.370 nan 0.000 0.509 489 S N -0.801 114.799 115.700 -0.167 0.000 2.638 489 S HA 0.654 5.124 4.470 0.000 0.000 0.298 489 S C 0.764 175.330 174.600 -0.057 0.000 1.111 489 S CA -0.734 57.369 58.200 -0.161 0.000 1.027 489 S CB 1.581 64.531 63.200 -0.416 0.000 1.064 489 S HN 0.189 nan 8.310 nan 0.000 0.525 490 G N 1.096 109.896 108.800 0.000 0.000 2.468 490 G HA2 0.263 4.223 3.960 0.000 0.000 0.264 490 G HA3 0.263 4.223 3.960 0.000 0.000 0.264 490 G C 0.666 175.554 174.900 -0.020 0.000 1.460 490 G CA -0.337 44.764 45.100 0.002 0.000 1.060 490 G HN 0.682 nan 8.290 nan 0.000 0.543 491 L N -0.572 120.649 121.223 -0.004 0.000 2.418 491 L HA 0.211 4.551 4.340 0.000 0.000 0.218 491 L C 0.770 177.639 176.870 -0.002 0.000 1.125 491 L CA 0.659 55.496 54.840 -0.005 0.000 0.835 491 L CB -0.118 41.945 42.059 0.006 0.000 0.953 491 L HN 0.425 nan 8.230 nan 0.000 0.454 492 E N -0.379 119.824 120.200 0.005 0.000 2.222 492 E HA 0.562 4.912 4.350 0.000 0.000 0.267 492 E C -1.288 175.322 176.600 0.016 0.000 0.884 492 E CA -0.341 56.067 56.400 0.013 0.000 0.764 492 E CB 3.381 33.095 29.700 0.022 0.000 1.169 492 E HN -0.209 nan 8.360 nan 0.000 0.413 493 V N 3.005 122.927 119.914 0.014 0.000 3.000 493 V HA 0.301 4.421 4.120 0.000 0.000 0.300 493 V C -1.825 174.299 176.094 0.050 0.000 1.251 493 V CA -0.704 61.608 62.300 0.021 0.000 0.972 493 V CB 2.200 33.961 31.823 -0.103 0.000 1.065 493 V HN 0.706 nan 8.190 nan 0.000 0.431 494 N N 6.303 125.061 118.700 0.096 0.000 2.421 494 N HA 0.627 5.367 4.740 0.000 0.000 0.285 494 N C -1.130 174.411 175.510 0.052 0.000 1.027 494 N CA -0.314 52.807 53.050 0.119 0.000 0.918 494 N CB 2.356 40.929 38.487 0.142 0.000 1.152 494 N HN 0.577 nan 8.380 nan 0.000 0.485 495 I N 1.654 122.215 120.570 -0.015 0.000 2.466 495 I HA 0.291 4.461 4.170 0.000 0.000 0.289 495 I C -0.503 175.541 176.117 -0.122 0.000 1.026 495 I CA -0.997 60.263 61.300 -0.066 0.000 1.078 495 I CB 2.132 40.079 38.000 -0.087 0.000 1.249 495 I HN 0.024 nan 8.210 nan 0.000 0.429 496 V N 4.700 124.493 119.914 -0.202 0.000 2.357 496 V HA 0.415 4.535 4.120 0.000 0.000 0.284 496 V C 0.142 176.177 176.094 -0.098 0.000 1.018 496 V CA -0.319 61.849 62.300 -0.220 0.000 0.841 496 V CB 1.507 33.035 31.823 -0.491 0.000 0.991 496 V HN 0.810 nan 8.190 nan 0.000 0.437 497 T N 1.711 116.230 114.554 -0.058 0.000 2.942 497 T HA 0.444 4.794 4.350 0.000 0.000 0.289 497 T C 0.269 174.887 174.700 -0.136 0.000 1.044 497 T CA -0.328 61.762 62.100 -0.018 0.000 1.023 497 T CB 1.683 70.587 68.868 0.059 0.000 1.123 497 T HN 0.900 nan 8.240 nan 0.000 0.512 498 D N 0.287 120.612 120.400 -0.125 0.000 2.402 498 D HA 0.206 4.846 4.640 0.000 0.000 0.216 498 D C 0.244 176.645 176.300 0.169 0.000 1.128 498 D CA -0.280 53.548 54.000 -0.286 0.000 0.833 498 D CB 0.246 40.856 40.800 -0.316 0.000 0.971 498 D HN 0.242 nan 8.370 nan 0.000 0.503 499 S N 0.455 116.321 115.700 0.277 0.000 2.404 499 S HA 0.109 4.579 4.470 0.000 0.000 0.309 499 S C 1.016 175.849 174.600 0.389 0.000 1.076 499 S CA -0.591 57.812 58.200 0.337 0.000 1.095 499 S CB 1.177 64.523 63.200 0.243 0.000 0.972 499 S HN 0.255 nan 8.310 nan 0.000 0.484 500 Q N 4.459 124.444 119.800 0.309 0.000 2.124 500 Q HA -0.185 4.155 4.340 0.000 0.000 0.202 500 Q C 1.427 177.453 176.000 0.043 0.000 0.977 500 Q CA 1.955 57.740 55.803 -0.030 0.000 0.850 500 Q CB -0.319 28.303 28.738 -0.194 0.000 0.901 500 Q HN 0.975 nan 8.270 nan 0.000 0.429 501 Y N 0.122 120.435 120.300 0.022 0.000 2.070 501 Y HA -0.277 4.273 4.550 0.000 0.000 0.280 501 Y C 2.037 177.955 175.900 0.030 0.000 1.148 501 Y CA 2.057 60.173 58.100 0.026 0.000 1.125 501 Y CB -0.794 37.694 38.460 0.047 0.000 0.975 501 Y HN 0.190 nan 8.280 nan 0.000 0.492 502 A N 0.122 122.886 122.820 -0.093 0.000 1.902 502 A HA -0.168 4.152 4.320 0.000 0.000 0.217 502 A C 2.261 179.766 177.584 -0.132 0.000 1.181 502 A CA 1.668 53.591 52.037 -0.190 0.000 0.623 502 A CB -1.285 17.721 19.000 0.010 0.000 0.818 502 A HN 0.594 nan 8.150 nan 0.000 0.443 503 L N 0.018 121.220 121.223 -0.036 0.000 2.042 503 L HA -0.070 4.271 4.340 0.000 0.000 0.210 503 L C 2.480 179.319 176.870 -0.052 0.000 1.076 503 L CA 2.193 57.018 54.840 -0.026 0.000 0.749 503 L CB -0.817 41.249 42.059 0.011 0.000 0.893 503 L HN 0.337 nan 8.230 nan 0.000 0.432 504 G N -0.275 108.474 108.800 -0.085 0.000 2.440 504 G HA2 -0.270 3.690 3.960 0.000 0.000 0.218 504 G HA3 -0.270 3.690 3.960 0.000 0.000 0.218 504 G C 1.583 176.481 174.900 -0.004 0.000 1.154 504 G CA 1.293 46.361 45.100 -0.054 0.000 0.767 504 G HN 0.482 nan 8.290 nan 0.000 0.552 505 I N 0.282 120.776 120.570 -0.126 0.000 2.179 505 I HA -0.117 4.054 4.170 0.000 0.000 0.242 505 I C 2.624 178.734 176.117 -0.011 0.000 1.088 505 I CA 0.968 62.190 61.300 -0.129 0.000 1.357 505 I CB -0.211 37.541 38.000 -0.413 0.000 1.051 505 I HN 0.143 nan 8.210 nan 0.000 0.409 506 I N 0.040 120.598 120.570 -0.018 0.000 2.406 506 I HA -0.213 3.957 4.170 0.000 0.000 0.249 506 I C 2.507 178.718 176.117 0.157 0.000 1.122 506 I CA 0.968 62.307 61.300 0.064 0.000 1.431 506 I CB -0.325 37.676 38.000 0.002 0.000 1.087 506 I HN 0.226 nan 8.210 nan 0.000 0.424 507 Q N 0.665 120.536 119.800 0.118 0.000 2.226 507 Q HA -0.143 4.197 4.340 0.000 0.000 0.204 507 Q C 2.081 178.221 176.000 0.234 0.000 0.975 507 Q CA 1.415 57.309 55.803 0.151 0.000 0.866 507 Q CB -0.158 28.644 28.738 0.107 0.000 0.915 507 Q HN 0.567 nan 8.270 nan 0.000 0.440 508 A N 0.297 123.294 122.820 0.295 0.000 2.259 508 A HA -0.048 4.272 4.320 0.000 0.000 0.208 508 A C 0.202 177.993 177.584 0.346 0.000 1.201 508 A CA 0.007 52.288 52.037 0.407 0.000 0.824 508 A CB -0.031 19.253 19.000 0.473 0.000 0.838 508 A HN 0.392 nan 8.150 nan 0.000 0.485 509 Q N -1.008 118.941 119.800 0.248 0.000 2.452 509 Q HA -0.132 4.208 4.340 0.000 0.000 0.318 509 Q C -2.262 173.762 176.000 0.039 0.000 1.386 509 Q CA 0.371 56.205 55.803 0.052 0.000 0.872 509 Q CB -1.650 27.030 28.738 -0.097 0.000 1.151 509 Q HN 0.548 nan 8.270 nan 0.000 0.417 510 P HA -0.070 nan 4.420 nan 0.000 0.267 510 P C -0.033 177.364 177.300 0.162 0.000 1.200 510 P CA 0.632 63.822 63.100 0.150 0.000 0.772 510 P CB 0.586 32.390 31.700 0.174 0.000 0.855 511 D N -0.968 119.492 120.400 0.100 0.000 2.500 511 D HA 0.107 4.747 4.640 0.000 0.000 0.217 511 D C 0.229 176.537 176.300 0.014 0.000 1.159 511 D CA 0.055 54.097 54.000 0.071 0.000 0.828 511 D CB 0.384 41.212 40.800 0.046 0.000 1.039 511 D HN 0.374 nan 8.370 nan 0.000 0.512 512 Q N -0.152 119.679 119.800 0.052 0.000 2.320 512 Q HA 0.555 4.895 4.340 0.000 0.000 0.272 512 Q C -1.949 174.104 176.000 0.089 0.000 1.023 512 Q CA -0.605 55.221 55.803 0.038 0.000 0.855 512 Q CB 2.127 30.886 28.738 0.035 0.000 1.367 512 Q HN 0.024 nan 8.270 nan 0.000 0.406 513 S N 1.610 117.358 115.700 0.080 0.000 2.550 513 S HA 0.245 4.715 4.470 0.000 0.000 0.270 513 S C -0.260 174.387 174.600 0.079 0.000 1.145 513 S CA -0.408 57.880 58.200 0.145 0.000 0.852 513 S CB 1.827 65.170 63.200 0.239 0.000 1.119 513 S HN 0.779 nan 8.310 nan 0.000 0.465 514 E N 0.998 121.233 120.200 0.058 0.000 2.204 514 E HA 0.002 4.353 4.350 0.000 0.000 0.194 514 E C 0.313 176.947 176.600 0.056 0.000 0.989 514 E CA 0.472 56.888 56.400 0.027 0.000 0.824 514 E CB 0.180 29.869 29.700 -0.017 0.000 0.756 514 E HN 0.395 nan 8.360 nan 0.000 0.477 515 S N 0.278 116.050 115.700 0.119 0.000 2.513 515 S HA 0.025 4.495 4.470 0.000 0.000 0.276 515 S C 0.852 175.473 174.600 0.036 0.000 1.254 515 S CA -0.525 57.737 58.200 0.103 0.000 1.053 515 S CB 1.371 64.679 63.200 0.181 0.000 0.958 515 S HN 0.147 nan 8.310 nan 0.000 0.491 516 E N 4.950 125.153 120.200 0.004 0.000 2.031 516 E HA -0.135 4.215 4.350 0.000 0.000 0.193 516 E C 1.734 178.276 176.600 -0.097 0.000 0.994 516 E CA 1.710 58.087 56.400 -0.039 0.000 0.800 516 E CB -0.518 29.164 29.700 -0.030 0.000 0.752 516 E HN 0.795 nan 8.360 nan 0.000 0.447 517 L N -0.106 121.061 121.223 -0.094 0.000 1.997 517 L HA -0.240 4.100 4.340 0.000 0.000 0.216 517 L C 2.441 179.189 176.870 -0.203 0.000 1.074 517 L CA 1.727 56.464 54.840 -0.172 0.000 0.763 517 L CB -0.387 41.630 42.059 -0.069 0.000 0.890 517 L HN 0.181 nan 8.230 nan 0.000 0.434 518 V N -0.013 119.838 119.914 -0.104 0.000 2.343 518 V HA -0.300 3.820 4.120 0.000 0.000 0.247 518 V C 2.176 178.208 176.094 -0.103 0.000 1.051 518 V CA 1.923 64.156 62.300 -0.111 0.000 1.036 518 V CB -0.768 31.000 31.823 -0.093 0.000 0.654 518 V HN 0.524 nan 8.190 nan 0.000 0.451 519 N N -0.199 118.451 118.700 -0.083 0.000 2.244 519 N HA -0.168 4.572 4.740 0.000 0.000 0.183 519 N C 1.947 177.374 175.510 -0.138 0.000 1.016 519 N CA 1.199 54.199 53.050 -0.083 0.000 0.866 519 N CB -0.156 38.294 38.487 -0.062 0.000 0.980 519 N HN 0.603 nan 8.380 nan 0.000 0.430 520 Q N 0.490 120.143 119.800 -0.245 0.000 2.079 520 Q HA 0.062 4.402 4.340 0.000 0.000 0.200 520 Q C 2.137 177.946 176.000 -0.318 0.000 0.974 520 Q CA 0.785 56.359 55.803 -0.381 0.000 0.840 520 Q CB 0.028 28.267 28.738 -0.832 0.000 0.898 520 Q HN 0.355 nan 8.270 nan 0.000 0.430 521 I N 0.336 120.719 120.570 -0.312 0.000 2.264 521 I HA -0.302 3.869 4.170 0.000 0.000 0.248 521 I C 1.992 178.042 176.117 -0.112 0.000 1.111 521 I CA 1.148 62.376 61.300 -0.120 0.000 1.382 521 I CB -0.199 37.734 38.000 -0.113 0.000 1.060 521 I HN 0.239 nan 8.210 nan 0.000 0.418 522 I N 0.288 120.793 120.570 -0.108 0.000 2.252 522 I HA -0.241 3.929 4.170 0.000 0.000 0.245 522 I C 2.487 178.562 176.117 -0.071 0.000 1.102 522 I CA 1.202 62.453 61.300 -0.082 0.000 1.385 522 I CB -0.424 37.584 38.000 0.014 0.000 1.064 522 I HN 0.197 nan 8.210 nan 0.000 0.414 523 E N 0.567 120.734 120.200 -0.054 0.000 2.065 523 E HA -0.305 4.045 4.350 0.000 0.000 0.201 523 E C 2.245 178.835 176.600 -0.015 0.000 1.016 523 E CA 1.491 57.874 56.400 -0.028 0.000 0.818 523 E CB -0.154 29.539 29.700 -0.012 0.000 0.749 523 E HN 0.485 nan 8.360 nan 0.000 0.453 524 Q N 0.180 119.977 119.800 -0.004 0.000 2.050 524 Q HA -0.114 4.226 4.340 0.000 0.000 0.202 524 Q C 2.501 178.450 176.000 -0.085 0.000 0.980 524 Q CA 0.972 56.768 55.803 -0.012 0.000 0.840 524 Q CB -0.348 28.412 28.738 0.038 0.000 0.898 524 Q HN 0.362 nan 8.270 nan 0.000 0.424 525 L N 0.084 121.194 121.223 -0.188 0.000 2.131 525 L HA -0.164 4.176 4.340 0.000 0.000 0.210 525 L C 2.377 179.122 176.870 -0.210 0.000 1.092 525 L CA 0.747 55.378 54.840 -0.349 0.000 0.759 525 L CB -0.395 41.155 42.059 -0.847 0.000 0.903 525 L HN 0.163 nan 8.230 nan 0.000 0.435 526 I N -0.323 120.204 120.570 -0.070 0.000 2.202 526 I HA -0.289 3.881 4.170 0.000 0.000 0.242 526 I C 2.490 178.665 176.117 0.096 0.000 1.091 526 I CA 1.383 62.762 61.300 0.131 0.000 1.368 526 I CB -0.272 37.838 38.000 0.184 0.000 1.058 526 I HN 0.191 nan 8.210 nan 0.000 0.410 527 K N 0.621 121.046 120.400 0.042 0.000 2.147 527 K HA -0.099 4.221 4.320 0.000 0.000 0.205 527 K C 0.687 177.300 176.600 0.023 0.000 1.049 527 K CA 0.718 57.026 56.287 0.034 0.000 0.936 527 K CB -0.038 32.471 32.500 0.016 0.000 0.722 527 K HN 0.126 nan 8.250 nan 0.000 0.446 528 K N 1.209 121.609 120.400 -0.000 0.000 2.336 528 K HA -0.040 4.280 4.320 0.000 0.000 0.262 528 K C 0.919 177.534 176.600 0.025 0.000 0.992 528 K CA 0.624 56.908 56.287 -0.005 0.000 0.927 528 K CB 0.587 33.065 32.500 -0.036 0.000 0.956 528 K HN 0.153 nan 8.250 nan 0.000 0.495 529 E N 0.944 121.157 120.200 0.023 0.000 2.166 529 E HA 0.008 4.358 4.350 0.000 0.000 0.192 529 E C -0.334 176.290 176.600 0.041 0.000 0.967 529 E CA 0.834 57.255 56.400 0.035 0.000 0.840 529 E CB 0.445 30.161 29.700 0.027 0.000 0.795 529 E HN 0.309 nan 8.360 nan 0.000 0.470 530 K N 0.693 121.113 120.400 0.033 0.000 2.513 530 K HA 0.454 4.774 4.320 0.000 0.000 0.251 530 K C -1.530 175.094 176.600 0.040 0.000 0.939 530 K CA -0.483 55.832 56.287 0.046 0.000 0.793 530 K CB 3.166 35.692 32.500 0.044 0.000 1.241 530 K HN -0.196 nan 8.250 nan 0.000 0.431 531 V N 2.968 122.916 119.914 0.058 0.000 2.577 531 V HA 0.309 4.429 4.120 0.000 0.000 0.303 531 V C -1.387 174.778 176.094 0.117 0.000 1.042 531 V CA -0.967 61.361 62.300 0.047 0.000 0.872 531 V CB 1.413 33.225 31.823 -0.019 0.000 0.998 531 V HN 0.703 nan 8.190 nan 0.000 0.423 532 Y N 5.348 125.643 120.300 -0.008 0.000 2.360 532 Y HA 0.819 5.369 4.550 0.000 0.000 0.337 532 Y C -0.976 174.918 175.900 -0.010 0.000 1.039 532 Y CA -1.053 57.047 58.100 -0.000 0.000 1.109 532 Y CB 1.809 40.269 38.460 -0.001 0.000 1.201 532 Y HN 0.618 nan 8.280 nan 0.000 0.458 533 L N 5.456 126.266 121.223 -0.688 0.000 2.410 533 L HA 0.931 5.271 4.340 0.000 0.000 0.270 533 L C -1.486 175.023 176.870 -0.602 0.000 0.983 533 L CA -0.379 54.192 54.840 -0.448 0.000 0.822 533 L CB 1.675 43.605 42.059 -0.215 0.000 1.285 533 L HN 0.761 nan 8.230 nan 0.000 0.409 534 A N 3.623 126.255 122.820 -0.313 0.000 2.454 534 A HA 0.757 5.077 4.320 0.000 0.000 0.302 534 A C -2.235 175.369 177.584 0.033 0.000 1.079 534 A CA -0.528 51.428 52.037 -0.135 0.000 0.731 534 A CB 1.077 20.069 19.000 -0.013 0.000 1.299 534 A HN 0.810 nan 8.150 nan 0.000 0.413 535 W N 1.765 123.022 121.300 -0.072 0.000 2.666 535 W HA 0.620 5.280 4.660 0.000 0.000 0.334 535 W C -0.921 175.594 176.519 -0.007 0.000 1.051 535 W CA -0.439 56.882 57.345 -0.039 0.000 1.224 535 W CB 1.903 31.340 29.460 -0.039 0.000 1.405 535 W HN 0.913 nan 8.180 nan 0.000 0.513 536 V N 3.093 122.381 119.914 -1.043 0.000 2.962 536 V HA 0.717 4.837 4.120 0.000 0.000 0.313 536 V C -2.591 172.455 176.094 -1.748 0.000 1.099 536 V CA -3.008 58.657 62.300 -1.059 0.000 0.971 536 V CB 1.623 33.184 31.823 -0.436 0.000 1.028 536 V HN 0.518 nan 8.190 nan 0.000 0.430 537 P HA 0.305 nan 4.420 nan 0.000 0.271 537 P C -0.063 177.006 177.300 -0.386 0.000 1.220 537 P CA 0.499 63.226 63.100 -0.621 0.000 0.768 537 P CB 0.837 32.441 31.700 -0.160 0.000 0.848 538 A N 3.799 126.432 122.820 -0.312 0.000 2.366 538 A HA 0.241 4.561 4.320 0.000 0.000 0.249 538 A C 0.733 178.147 177.584 -0.284 0.000 1.084 538 A CA -0.095 51.704 52.037 -0.398 0.000 0.794 538 A CB -0.627 18.023 19.000 -0.583 0.000 1.034 538 A HN 0.796 nan 8.150 nan 0.000 0.491 539 H N -0.803 118.248 119.070 -0.032 0.000 3.179 539 H HA -0.130 4.427 4.556 0.000 0.000 0.250 539 H C 0.358 175.674 175.328 -0.019 0.000 1.142 539 H CA 1.526 57.563 56.048 -0.017 0.000 1.165 539 H CB -1.325 28.436 29.762 -0.002 0.000 1.253 539 H HN 0.661 nan 8.280 nan 0.000 0.325 540 K N 0.563 120.979 120.400 0.027 0.000 2.410 540 K HA 0.315 4.635 4.320 0.000 0.000 0.200 540 K C 1.382 177.980 176.600 -0.002 0.000 1.023 540 K CA 0.727 57.022 56.287 0.014 0.000 1.149 540 K CB 0.373 32.866 32.500 -0.011 0.000 0.859 540 K HN 0.534 nan 8.250 nan 0.000 0.514 541 G N 1.303 110.101 108.800 -0.004 0.000 2.221 541 G HA2 -0.279 3.681 3.960 0.000 0.000 0.265 541 G HA3 -0.279 3.681 3.960 0.000 0.000 0.265 541 G C -0.056 174.824 174.900 -0.032 0.000 1.041 541 G CA -0.060 45.032 45.100 -0.013 0.000 0.807 541 G HN 0.295 nan 8.290 nan 0.000 0.502 542 I N 1.590 122.133 120.570 -0.045 0.000 2.471 542 I HA 0.364 4.534 4.170 0.000 0.000 0.286 542 I C 1.636 177.709 176.117 -0.074 0.000 1.079 542 I CA 0.225 61.497 61.300 -0.046 0.000 1.398 542 I CB 0.807 38.780 38.000 -0.045 0.000 1.403 542 I HN 0.239 nan 8.210 nan 0.000 0.530 543 G N 4.192 112.938 108.800 -0.091 0.000 2.349 543 G HA2 0.257 4.217 3.960 0.000 0.000 0.232 543 G HA3 0.257 4.217 3.960 0.000 0.000 0.232 543 G C 1.028 175.702 174.900 -0.378 0.000 1.240 543 G CA 0.322 45.315 45.100 -0.178 0.000 0.870 543 G HN 1.146 nan 8.290 nan 0.000 0.528 544 G N 2.086 110.571 108.800 -0.524 0.000 4.039 544 G HA2 -0.435 3.525 3.960 0.000 0.000 0.220 544 G HA3 -0.435 3.525 3.960 0.000 0.000 0.220 544 G C 1.637 176.329 174.900 -0.347 0.000 1.391 544 G CA 1.054 45.592 45.100 -0.937 0.000 0.920 544 G HN 0.957 nan 8.290 nan 0.000 0.599 545 N N 1.584 120.218 118.700 -0.111 0.000 2.104 545 N HA -0.137 4.603 4.740 0.000 0.000 0.190 545 N C 2.020 177.505 175.510 -0.043 0.000 1.024 545 N CA 2.106 55.165 53.050 0.014 0.000 0.853 545 N CB -0.188 38.297 38.487 -0.004 0.000 1.008 545 N HN 0.725 nan 8.380 nan 0.000 0.424 546 E N 0.128 120.285 120.200 -0.071 0.000 2.118 546 E HA -0.198 4.152 4.350 0.000 0.000 0.195 546 E C 2.091 178.666 176.600 -0.042 0.000 0.992 546 E CA 1.157 57.528 56.400 -0.048 0.000 0.804 546 E CB 0.106 29.774 29.700 -0.054 0.000 0.741 546 E HN 0.395 nan 8.360 nan 0.000 0.458 547 Q N -0.195 119.562 119.800 -0.071 0.000 2.049 547 Q HA -0.111 4.229 4.340 0.000 0.000 0.198 547 Q C 2.429 178.414 176.000 -0.024 0.000 0.971 547 Q CA 1.600 57.369 55.803 -0.058 0.000 0.833 547 Q CB 0.029 28.711 28.738 -0.093 0.000 0.896 547 Q HN 0.321 nan 8.270 nan 0.000 0.434 548 V N 1.037 120.950 119.914 -0.002 0.000 2.427 548 V HA -0.233 3.888 4.120 0.000 0.000 0.248 548 V C 2.034 178.144 176.094 0.026 0.000 1.051 548 V CA 1.971 64.291 62.300 0.032 0.000 1.048 548 V CB -0.886 30.992 31.823 0.091 0.000 0.666 548 V HN 0.313 nan 8.190 nan 0.000 0.456 549 D N 0.523 120.935 120.400 0.021 0.000 2.158 549 D HA -0.224 4.416 4.640 0.000 0.000 0.197 549 D C 2.077 178.396 176.300 0.032 0.000 0.995 549 D CA 1.725 55.744 54.000 0.031 0.000 0.846 549 D CB -0.111 40.708 40.800 0.031 0.000 0.941 549 D HN 0.447 nan 8.370 nan 0.000 0.456 550 K N -0.334 120.075 120.400 0.015 0.000 1.965 550 K HA -0.114 4.207 4.320 0.000 0.000 0.214 550 K C 2.400 179.002 176.600 0.004 0.000 1.046 550 K CA 1.729 58.020 56.287 0.008 0.000 0.944 550 K CB -0.581 31.916 32.500 -0.006 0.000 0.726 550 K HN 0.310 nan 8.250 nan 0.000 0.441 551 L N -0.548 120.672 121.223 -0.005 0.000 2.187 551 L HA -0.113 4.227 4.340 0.000 0.000 0.213 551 L C 2.152 179.020 176.870 -0.003 0.000 1.100 551 L CA 0.922 55.755 54.840 -0.012 0.000 0.765 551 L CB -0.712 41.330 42.059 -0.029 0.000 0.904 551 L HN -0.118 nan 8.230 nan 0.000 0.437 552 V N -0.528 119.391 119.914 0.010 0.000 2.535 552 V HA -0.129 3.991 4.120 0.000 0.000 0.246 552 V C 2.618 178.727 176.094 0.025 0.000 1.045 552 V CA 1.782 64.094 62.300 0.020 0.000 1.058 552 V CB -0.026 31.818 31.823 0.035 0.000 0.689 552 V HN 0.435 nan 8.190 nan 0.000 0.461 553 S N 0.232 115.950 115.700 0.029 0.000 2.402 553 S HA 0.064 4.534 4.470 0.000 0.000 0.229 553 S C 1.328 175.938 174.600 0.017 0.000 1.021 553 S CA 0.633 58.850 58.200 0.030 0.000 0.974 553 S CB -0.386 62.836 63.200 0.036 0.000 0.800 553 S HN 0.576 nan 8.310 nan 0.000 0.484 554 A N 1.547 124.374 122.820 0.010 0.000 2.524 554 A HA 0.486 4.806 4.320 0.000 0.000 0.271 554 A C 0.829 178.416 177.584 0.005 0.000 1.097 554 A CA 0.761 52.800 52.037 0.004 0.000 0.791 554 A CB -0.970 18.029 19.000 -0.001 0.000 1.028 554 A HN 0.582 nan 8.150 nan 0.000 0.518 555 G N 0.000 108.803 108.800 0.005 0.000 5.446 555 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 555 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 555 G CA 0.000 45.103 45.100 0.006 0.000 0.502 555 G HN 0.000 nan 8.290 nan 0.000 0.925