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 3kk2_1_B DATA FIRST_RESID 4 DATA SEQUENCE PIETVPVKLK PGMDGPKVKQ WPLTEEKIKA LVEICTEMEK EGKISKIGPE DATA SEQUENCE NPYNTPVFAI KKKDSTKWRK LVDFRELNKR TQDFWEVQLG IPHPAGLKKK DATA SEQUENCE KSVTVLDVGD AYFSVPLDED FRKYTAFTIP SINNETPGIR YQYNVLPQGW DATA SEQUENCE KGSPAIFQSS MTKILEPFRK QNPDIVIYQY MDDLYVGSDL EIGQHRTKIE DATA SEQUENCE ELRQHLLRWG LTTXXXXXXX XXXXXXMGYE LHPDKWTVQP IVLPEKDSWT DATA SEQUENCE VNDIQKLVGK LNWASQIYPG IKVRQLSKLL RGTKALTEVI PLTEEAELEL DATA SEQUENCE AENREILKEP VHGVYYDPSK DLIAEIQKQG QGQWTYQIYQ EPFKNLKTGK DATA SEQUENCE YARMRGAHTN DVKQLTEAVQ KITTESIVIW GKTPKFKLPI QKETWETWWT DATA SEQUENCE EYWQATWIPE WEFVNTPPLV KLWYQLE 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 4 P HA 0.000 nan 4.420 nan 0.000 0.216 4 P C 0.000 177.329 177.300 0.049 0.000 1.155 4 P CA 0.000 63.128 63.100 0.046 0.000 0.800 4 P CB 0.000 31.727 31.700 0.045 0.000 0.726 5 I N 1.319 121.924 120.570 0.059 0.000 2.598 5 I HA 0.240 4.410 4.170 0.000 0.000 0.284 5 I C 1.016 177.167 176.117 0.055 0.000 1.140 5 I CA -0.084 61.251 61.300 0.059 0.000 1.420 5 I CB 1.335 39.381 38.000 0.076 0.000 1.387 5 I HN 0.642 nan 8.210 nan 0.000 0.553 6 E N 5.336 125.563 120.200 0.045 0.000 2.414 6 E HA -0.015 4.335 4.350 0.000 0.000 0.263 6 E C -0.106 176.523 176.600 0.047 0.000 1.000 6 E CA 0.051 56.477 56.400 0.042 0.000 0.914 6 E CB 0.705 30.426 29.700 0.035 0.000 0.948 6 E HN 0.556 nan 8.360 nan 0.000 0.444 7 T N 2.958 117.542 114.554 0.050 0.000 2.913 7 T HA 0.281 4.631 4.350 0.000 0.000 0.297 7 T C -0.860 173.871 174.700 0.051 0.000 1.029 7 T CA -0.467 61.666 62.100 0.054 0.000 1.104 7 T CB 0.527 69.430 68.868 0.059 0.000 0.964 7 T HN 0.334 nan 8.240 nan 0.000 0.532 8 V N 7.637 127.580 119.914 0.050 0.000 2.384 8 V HA 0.559 4.679 4.120 0.000 0.000 0.287 8 V C -2.491 173.645 176.094 0.070 0.000 1.020 8 V CA -2.393 59.936 62.300 0.049 0.000 0.850 8 V CB 1.407 33.243 31.823 0.022 0.000 0.987 8 V HN 0.830 nan 8.190 nan 0.000 0.436 9 P HA 0.196 nan 4.420 nan 0.000 0.262 9 P C -1.053 176.344 177.300 0.162 0.000 1.199 9 P CA 0.337 63.505 63.100 0.113 0.000 0.763 9 P CB 0.633 32.391 31.700 0.096 0.000 0.790 10 V N 5.068 125.080 119.914 0.164 0.000 2.577 10 V HA 0.353 4.473 4.120 0.000 0.000 0.303 10 V C 0.222 176.438 176.094 0.203 0.000 1.042 10 V CA -0.602 61.826 62.300 0.213 0.000 0.872 10 V CB 2.044 33.854 31.823 -0.021 0.000 0.998 10 V HN 0.408 nan 8.190 nan 0.000 0.423 11 K N 3.492 124.003 120.400 0.185 0.000 2.211 11 K HA 0.758 5.078 4.320 0.000 0.000 0.237 11 K C -0.930 175.803 176.600 0.222 0.000 1.002 11 K CA -0.801 55.600 56.287 0.191 0.000 0.885 11 K CB 1.893 34.435 32.500 0.070 0.000 1.136 11 K HN 0.426 nan 8.250 nan 0.000 0.448 12 L N 1.259 122.579 121.223 0.161 0.000 2.431 12 L HA 0.359 4.700 4.340 0.000 0.000 0.260 12 L C 0.151 177.029 176.870 0.013 0.000 1.098 12 L CA -0.879 54.003 54.840 0.071 0.000 0.800 12 L CB 0.688 42.694 42.059 -0.087 0.000 1.210 12 L HN 0.421 nan 8.230 nan 0.000 0.465 13 K N 1.662 122.059 120.400 -0.005 0.000 2.436 13 K HA 0.120 4.440 4.320 0.000 0.000 0.275 13 K C -2.243 174.344 176.600 -0.020 0.000 0.999 13 K CA -1.340 54.930 56.287 -0.029 0.000 0.980 13 K CB -0.092 32.390 32.500 -0.030 0.000 0.919 13 K HN 0.302 nan 8.250 nan 0.000 0.484 14 P HA -0.042 nan 4.420 nan 0.000 0.267 14 P C 0.519 177.815 177.300 -0.007 0.000 1.209 14 P CA 0.494 63.587 63.100 -0.012 0.000 0.763 14 P CB 0.738 32.427 31.700 -0.018 0.000 0.816 15 G N 2.469 111.272 108.800 0.005 0.000 2.194 15 G HA2 -0.198 3.763 3.960 0.000 0.000 0.236 15 G HA3 -0.198 3.763 3.960 0.000 0.000 0.236 15 G C 0.042 174.951 174.900 0.015 0.000 0.987 15 G CA -0.311 44.795 45.100 0.010 0.000 0.635 15 G HN 0.484 nan 8.290 nan 0.000 0.520 16 M N 0.819 120.423 119.600 0.007 0.000 2.364 16 M HA 0.508 4.988 4.480 0.000 0.000 0.334 16 M C -1.019 175.279 176.300 -0.003 0.000 1.107 16 M CA -0.709 54.594 55.300 0.006 0.000 0.988 16 M CB 1.808 34.404 32.600 -0.005 0.000 1.673 16 M HN 0.119 nan 8.290 nan 0.000 0.441 17 D N 1.258 121.675 120.400 0.030 0.000 2.198 17 D HA 0.514 5.154 4.640 0.000 0.000 0.247 17 D C 0.117 176.441 176.300 0.040 0.000 1.010 17 D CA 0.061 54.108 54.000 0.078 0.000 0.880 17 D CB 1.753 42.657 40.800 0.174 0.000 1.209 17 D HN 0.719 nan 8.370 nan 0.000 0.451 18 G N 2.041 110.803 108.800 -0.064 0.000 2.771 18 G HA2 0.190 4.150 3.960 0.000 0.000 0.242 18 G HA3 0.190 4.150 3.960 0.000 0.000 0.242 18 G C -2.143 172.868 174.900 0.185 0.000 1.233 18 G CA -0.758 44.202 45.100 -0.233 0.000 0.858 18 G HN 0.467 nan 8.290 nan 0.000 0.591 19 P HA 0.212 nan 4.420 nan 0.000 0.271 19 P C -0.884 176.589 177.300 0.288 0.000 1.216 19 P CA 0.060 63.289 63.100 0.214 0.000 0.776 19 P CB 0.888 32.706 31.700 0.198 0.000 0.881 20 K N 1.939 122.458 120.400 0.198 0.000 2.842 20 K HA 0.355 4.675 4.320 0.000 0.000 0.176 20 K C -0.936 175.730 176.600 0.110 0.000 1.080 20 K CA -0.531 55.844 56.287 0.145 0.000 0.954 20 K CB 1.121 33.680 32.500 0.099 0.000 1.203 20 K HN 0.186 nan 8.250 nan 0.000 0.611 21 V N 1.975 121.957 119.914 0.113 0.000 2.398 21 V HA 0.239 4.359 4.120 0.000 0.000 0.286 21 V C 0.171 176.308 176.094 0.071 0.000 1.026 21 V CA -0.972 61.390 62.300 0.103 0.000 0.868 21 V CB 1.331 33.225 31.823 0.118 0.000 0.982 21 V HN 0.432 nan 8.190 nan 0.000 0.443 22 K N 2.929 123.376 120.400 0.077 0.000 2.401 22 K HA 0.215 4.535 4.320 0.000 0.000 0.278 22 K C 0.118 176.733 176.600 0.024 0.000 1.018 22 K CA -0.206 56.112 56.287 0.051 0.000 0.981 22 K CB 0.581 33.121 32.500 0.066 0.000 0.933 22 K HN 0.685 nan 8.250 nan 0.000 0.477 23 Q N 2.701 122.473 119.800 -0.046 0.000 2.392 23 Q HA 0.048 4.388 4.340 0.000 0.000 0.262 23 Q C -1.270 174.705 176.000 -0.042 0.000 1.003 23 Q CA 0.030 55.728 55.803 -0.176 0.000 0.888 23 Q CB 0.471 29.113 28.738 -0.159 0.000 1.260 23 Q HN 0.453 nan 8.270 nan 0.000 0.435 24 W N 3.204 124.494 121.300 -0.016 0.000 2.497 24 W HA 0.726 5.386 4.660 0.000 0.000 0.359 24 W C -2.491 173.990 176.519 -0.063 0.000 1.131 24 W CA -2.881 54.439 57.345 -0.041 0.000 1.280 24 W CB -0.725 28.701 29.460 -0.056 0.000 1.319 24 W HN 0.520 nan 8.180 nan 0.000 0.626 25 P HA 0.192 nan 4.420 nan 0.000 0.271 25 P C -0.774 176.618 177.300 0.153 0.000 1.216 25 P CA 0.172 63.347 63.100 0.123 0.000 0.776 25 P CB 1.309 33.035 31.700 0.044 0.000 0.881 26 L N 1.623 122.886 121.223 0.067 0.000 2.303 26 L HA 0.502 4.843 4.340 0.000 0.000 0.266 26 L C 1.170 178.036 176.870 -0.006 0.000 1.011 26 L CA -0.852 54.017 54.840 0.048 0.000 0.818 26 L CB 1.892 43.964 42.059 0.021 0.000 1.326 26 L HN 0.383 nan 8.230 nan 0.000 0.435 27 T N -3.585 110.956 114.554 -0.022 0.000 2.899 27 T HA 0.145 4.495 4.350 0.000 0.000 0.284 27 T C 0.767 175.429 174.700 -0.064 0.000 1.004 27 T CA -0.543 61.536 62.100 -0.035 0.000 1.043 27 T CB 1.789 70.646 68.868 -0.019 0.000 1.013 27 T HN 0.759 nan 8.240 nan 0.000 0.518 28 E N 0.652 120.820 120.200 -0.053 0.000 2.033 28 E HA -0.272 4.078 4.350 0.000 0.000 0.199 28 E C 1.904 178.435 176.600 -0.115 0.000 1.011 28 E CA 1.777 58.136 56.400 -0.067 0.000 0.815 28 E CB -0.227 29.448 29.700 -0.040 0.000 0.755 28 E HN 0.892 nan 8.360 nan 0.000 0.451 29 E N 0.348 120.489 120.200 -0.098 0.000 2.170 29 E HA -0.379 3.971 4.350 0.000 0.000 0.229 29 E C 2.041 178.376 176.600 -0.442 0.000 1.074 29 E CA 2.434 58.736 56.400 -0.163 0.000 0.930 29 E CB -0.098 29.597 29.700 -0.009 0.000 0.806 29 E HN 0.199 nan 8.360 nan 0.000 0.478 30 K N -0.443 119.728 120.400 -0.383 0.000 2.026 30 K HA -0.151 4.169 4.320 0.000 0.000 0.208 30 K C 2.275 178.658 176.600 -0.362 0.000 1.048 30 K CA 1.536 57.533 56.287 -0.483 0.000 0.929 30 K CB -0.214 32.173 32.500 -0.188 0.000 0.713 30 K HN 0.147 nan 8.250 nan 0.000 0.439 31 I N 1.728 122.171 120.570 -0.212 0.000 2.127 31 I HA -0.327 3.843 4.170 0.000 0.000 0.241 31 I C 2.114 178.121 176.117 -0.183 0.000 1.075 31 I CA 1.478 62.686 61.300 -0.153 0.000 1.334 31 I CB -0.295 37.649 38.000 -0.093 0.000 1.040 31 I HN 0.013 nan 8.210 nan 0.000 0.405 32 K N 0.673 120.951 120.400 -0.203 0.000 2.059 32 K HA -0.220 4.100 4.320 0.000 0.000 0.212 32 K C 2.216 178.669 176.600 -0.246 0.000 1.050 32 K CA 1.950 58.123 56.287 -0.189 0.000 0.927 32 K CB -1.035 31.359 32.500 -0.176 0.000 0.714 32 K HN 0.425 nan 8.250 nan 0.000 0.447 33 A N 1.380 123.940 122.820 -0.433 0.000 1.845 33 A HA -0.133 4.188 4.320 0.000 0.000 0.215 33 A C 2.456 179.882 177.584 -0.263 0.000 1.195 33 A CA 1.407 53.160 52.037 -0.474 0.000 0.616 33 A CB -0.794 17.589 19.000 -1.029 0.000 0.832 33 A HN 0.215 nan 8.150 nan 0.000 0.443 34 L N -0.389 120.686 121.223 -0.248 0.000 2.021 34 L HA -0.236 4.104 4.340 0.000 0.000 0.215 34 L C 2.581 179.385 176.870 -0.110 0.000 1.074 34 L CA 1.556 56.307 54.840 -0.148 0.000 0.760 34 L CB -0.622 41.370 42.059 -0.111 0.000 0.889 34 L HN 0.282 nan 8.230 nan 0.000 0.433 35 V N -0.479 119.376 119.914 -0.099 0.000 2.343 35 V HA -0.291 3.829 4.120 0.000 0.000 0.247 35 V C 2.463 178.514 176.094 -0.071 0.000 1.051 35 V CA 1.923 64.186 62.300 -0.062 0.000 1.036 35 V CB -0.442 31.351 31.823 -0.049 0.000 0.654 35 V HN 0.494 nan 8.190 nan 0.000 0.451 36 E N 0.038 120.188 120.200 -0.084 0.000 2.028 36 E HA -0.181 4.169 4.350 0.000 0.000 0.191 36 E C 2.286 178.848 176.600 -0.064 0.000 0.988 36 E CA 1.474 57.836 56.400 -0.064 0.000 0.799 36 E CB -0.120 29.544 29.700 -0.060 0.000 0.755 36 E HN 0.570 nan 8.360 nan 0.000 0.447 37 I N 0.717 121.244 120.570 -0.072 0.000 2.151 37 I HA -0.387 3.783 4.170 0.000 0.000 0.243 37 I C 2.695 178.739 176.117 -0.122 0.000 1.080 37 I CA 1.013 62.271 61.300 -0.070 0.000 1.339 37 I CB -0.347 37.616 38.000 -0.061 0.000 1.039 37 I HN 0.335 nan 8.210 nan 0.000 0.409 38 C N 0.440 119.642 119.300 -0.164 0.000 2.446 38 C HA -0.151 4.310 4.460 0.000 0.000 0.277 38 C C 3.199 178.025 174.990 -0.274 0.000 1.275 38 C CA 1.715 60.556 59.018 -0.295 0.000 1.727 38 C CB -1.191 26.310 27.740 -0.399 0.000 2.010 38 C HN 0.645 nan 8.230 nan 0.000 0.486 39 T N -0.686 113.782 114.554 -0.142 0.000 2.833 39 T HA -0.215 4.136 4.350 0.000 0.000 0.269 39 T C 1.502 176.158 174.700 -0.074 0.000 1.054 39 T CA 2.076 64.134 62.100 -0.069 0.000 1.135 39 T CB -0.311 68.542 68.868 -0.025 0.000 0.869 39 T HN 0.539 nan 8.240 nan 0.000 0.466 40 E N 1.261 121.411 120.200 -0.084 0.000 2.046 40 E HA 0.028 4.378 4.350 0.000 0.000 0.190 40 E C 2.268 178.811 176.600 -0.096 0.000 0.982 40 E CA 1.183 57.543 56.400 -0.067 0.000 0.800 40 E CB -0.514 29.157 29.700 -0.048 0.000 0.756 40 E HN 0.598 nan 8.360 nan 0.000 0.449 41 M N 0.174 119.682 119.600 -0.153 0.000 2.202 41 M HA -0.168 4.312 4.480 0.000 0.000 0.262 41 M C 2.316 178.508 176.300 -0.180 0.000 1.063 41 M CA 1.686 56.856 55.300 -0.216 0.000 1.097 41 M CB -0.370 32.040 32.600 -0.318 0.000 1.382 41 M HN 0.201 nan 8.290 nan 0.000 0.413 42 E N 0.969 121.078 120.200 -0.153 0.000 2.107 42 E HA -0.204 4.146 4.350 0.000 0.000 0.191 42 E C 1.995 178.570 176.600 -0.041 0.000 0.982 42 E CA 1.019 57.376 56.400 -0.072 0.000 0.809 42 E CB 0.094 29.799 29.700 0.009 0.000 0.756 42 E HN 0.402 nan 8.360 nan 0.000 0.459 43 K N 0.585 120.960 120.400 -0.042 0.000 2.147 43 K HA -0.151 4.169 4.320 0.000 0.000 0.205 43 K C 1.248 177.834 176.600 -0.023 0.000 1.049 43 K CA 1.475 57.748 56.287 -0.024 0.000 0.936 43 K CB 0.133 32.620 32.500 -0.021 0.000 0.722 43 K HN 0.072 nan 8.250 nan 0.000 0.446 44 E N -1.126 119.051 120.200 -0.037 0.000 2.465 44 E HA 0.093 4.444 4.350 0.000 0.000 0.191 44 E C 0.513 177.097 176.600 -0.026 0.000 1.053 44 E CA 0.316 56.701 56.400 -0.025 0.000 0.869 44 E CB 0.665 30.349 29.700 -0.027 0.000 0.977 44 E HN 0.537 nan 8.360 nan 0.000 0.483 45 G N 1.869 110.648 108.800 -0.035 0.000 2.155 45 G HA2 -0.387 3.573 3.960 0.000 0.000 0.257 45 G HA3 -0.387 3.573 3.960 0.000 0.000 0.257 45 G C 0.902 175.779 174.900 -0.037 0.000 0.983 45 G CA 0.862 45.948 45.100 -0.024 0.000 0.676 45 G HN 0.290 nan 8.290 nan 0.000 0.528 46 K N -0.357 119.985 120.400 -0.095 0.000 2.103 46 K HA 0.262 4.583 4.320 0.000 0.000 0.204 46 K C 1.475 177.985 176.600 -0.150 0.000 1.052 46 K CA 1.406 57.609 56.287 -0.141 0.000 0.945 46 K CB 0.127 32.419 32.500 -0.347 0.000 0.722 46 K HN 0.817 nan 8.250 nan 0.000 0.443 47 I N -2.880 117.580 120.570 -0.184 0.000 2.934 47 I HA 0.406 4.577 4.170 0.000 0.000 0.306 47 I C -1.130 174.976 176.117 -0.019 0.000 1.110 47 I CA -0.966 60.233 61.300 -0.168 0.000 1.019 47 I CB 2.599 40.406 38.000 -0.322 0.000 1.227 47 I HN -0.292 nan 8.210 nan 0.000 0.434 48 S N 2.683 118.406 115.700 0.040 0.000 2.526 48 S HA 0.447 4.917 4.470 0.000 0.000 0.293 48 S C -0.756 173.835 174.600 -0.016 0.000 1.092 48 S CA -1.034 57.190 58.200 0.041 0.000 0.980 48 S CB 1.651 64.841 63.200 -0.017 0.000 1.048 48 S HN 0.481 nan 8.310 nan 0.000 0.483 49 K N 2.607 122.914 120.400 -0.156 0.000 2.550 49 K HA 0.120 4.440 4.320 0.000 0.000 0.280 49 K C 0.184 176.611 176.600 -0.289 0.000 0.987 49 K CA 0.496 56.516 56.287 -0.444 0.000 1.048 49 K CB -0.155 32.135 32.500 -0.351 0.000 0.879 49 K HN 0.739 nan 8.250 nan 0.000 0.491 50 I N -2.501 117.872 120.570 -0.329 0.000 3.174 50 I HA 0.616 4.786 4.170 0.000 0.000 0.313 50 I C 0.218 176.213 176.117 -0.203 0.000 1.155 50 I CA -1.162 60.011 61.300 -0.212 0.000 0.977 50 I CB 2.156 40.056 38.000 -0.167 0.000 1.248 50 I HN 0.485 nan 8.210 nan 0.000 0.453 51 G N 1.031 109.743 108.800 -0.147 0.000 2.583 51 G HA2 0.578 4.538 3.960 0.000 0.000 0.280 51 G HA3 0.578 4.538 3.960 0.000 0.000 0.280 51 G C -2.080 172.750 174.900 -0.117 0.000 1.376 51 G CA -1.142 43.880 45.100 -0.130 0.000 1.043 51 G HN 0.598 nan 8.290 nan 0.000 0.538 52 P HA 0.049 nan 4.420 nan 0.000 0.249 52 P C 0.960 178.207 177.300 -0.089 0.000 1.229 52 P CA 0.552 63.597 63.100 -0.091 0.000 0.788 52 P CB 0.493 32.145 31.700 -0.080 0.000 1.072 53 E N -0.644 119.504 120.200 -0.087 0.000 2.385 53 E HA -0.044 4.306 4.350 0.000 0.000 0.194 53 E C 0.473 177.013 176.600 -0.100 0.000 1.013 53 E CA 0.104 56.452 56.400 -0.086 0.000 0.866 53 E CB -0.887 28.771 29.700 -0.070 0.000 0.832 53 E HN 0.058 nan 8.360 nan 0.000 0.500 54 N N 2.784 121.427 118.700 -0.095 0.000 2.438 54 N HA 0.027 4.767 4.740 0.000 0.000 0.267 54 N C -1.863 173.552 175.510 -0.158 0.000 1.222 54 N CA -1.374 51.622 53.050 -0.090 0.000 0.930 54 N CB 1.413 39.873 38.487 -0.044 0.000 1.083 54 N HN -0.086 nan 8.380 nan 0.000 0.476 55 P HA 0.092 nan 4.420 nan 0.000 0.245 55 P C -0.718 176.301 177.300 -0.469 0.000 1.206 55 P CA 0.647 63.464 63.100 -0.471 0.000 0.781 55 P CB 0.050 31.360 31.700 -0.651 0.000 0.994 56 Y N 0.033 120.337 120.300 0.007 0.000 2.453 56 Y HA 0.600 5.150 4.550 0.000 0.000 0.326 56 Y C 0.761 176.686 175.900 0.043 0.000 1.186 56 Y CA -0.716 57.411 58.100 0.045 0.000 1.200 56 Y CB 0.851 39.358 38.460 0.079 0.000 1.247 56 Y HN -0.230 nan 8.280 nan 0.000 0.482 57 N N -1.066 117.782 118.700 0.247 0.000 2.935 57 N HA 0.502 5.242 4.740 0.000 0.000 0.248 57 N C -2.018 173.582 175.510 0.150 0.000 1.276 57 N CA -0.449 52.698 53.050 0.161 0.000 0.906 57 N CB 1.783 40.319 38.487 0.082 0.000 1.564 57 N HN 0.563 nan 8.380 nan 0.000 0.500 58 T N 2.492 117.114 114.554 0.115 0.000 3.237 58 T HA 0.474 4.824 4.350 0.000 0.000 0.319 58 T C -2.935 171.718 174.700 -0.077 0.000 1.037 58 T CA -0.639 61.489 62.100 0.046 0.000 1.048 58 T CB 2.045 70.954 68.868 0.069 0.000 1.081 58 T HN 0.338 nan 8.240 nan 0.000 0.455 59 P HA 0.402 nan 4.420 nan 0.000 0.272 59 P C -0.633 176.426 177.300 -0.401 0.000 1.230 59 P CA -0.386 62.437 63.100 -0.463 0.000 0.788 59 P CB 0.746 31.850 31.700 -0.994 0.000 0.949 60 V N -0.827 118.867 119.914 -0.366 0.000 3.074 60 V HA 0.889 5.009 4.120 0.000 0.000 0.314 60 V C -0.558 175.577 176.094 0.069 0.000 1.117 60 V CA -0.744 61.468 62.300 -0.146 0.000 1.014 60 V CB 1.631 33.313 31.823 -0.234 0.000 1.057 60 V HN 0.664 nan 8.190 nan 0.000 0.438 61 F N -0.511 119.325 119.950 -0.191 0.000 3.461 61 F HA 1.042 5.569 4.527 0.000 0.000 0.328 61 F C -0.550 175.230 175.800 -0.032 0.000 1.160 61 F CA -1.325 56.624 58.000 -0.084 0.000 0.879 61 F CB 0.625 39.651 39.000 0.043 0.000 1.559 61 F HN 1.112 nan 8.300 nan 0.000 0.510 62 A N 0.492 123.301 122.820 -0.018 0.000 2.539 62 A HA 0.869 5.189 4.320 0.000 0.000 0.296 62 A C -1.276 176.432 177.584 0.207 0.000 1.073 62 A CA -0.512 51.527 52.037 0.004 0.000 0.700 62 A CB 1.666 20.727 19.000 0.102 0.000 1.296 62 A HN 1.322 nan 8.150 nan 0.000 0.405 63 I N -1.924 118.753 120.570 0.179 0.000 2.785 63 I HA 0.807 4.977 4.170 0.000 0.000 0.302 63 I C -0.665 175.340 176.117 -0.186 0.000 1.069 63 I CA -1.058 60.282 61.300 0.066 0.000 1.045 63 I CB 2.278 40.258 38.000 -0.035 0.000 1.236 63 I HN 0.459 nan 8.210 nan 0.000 0.429 64 K N 3.539 123.643 120.400 -0.494 0.000 2.360 64 K HA 0.285 4.605 4.320 0.000 0.000 0.235 64 K C -0.558 175.792 176.600 -0.417 0.000 1.077 64 K CA -0.517 55.285 56.287 -0.809 0.000 1.035 64 K CB 0.250 32.129 32.500 -1.035 0.000 1.623 64 K HN 0.542 nan 8.250 nan 0.000 0.462 65 K N 3.531 123.744 120.400 -0.312 0.000 2.447 65 K HA 0.051 4.371 4.320 0.000 0.000 0.281 65 K C 0.027 176.510 176.600 -0.194 0.000 1.031 65 K CA 0.291 56.445 56.287 -0.222 0.000 1.019 65 K CB 0.266 32.651 32.500 -0.191 0.000 0.918 65 K HN 0.505 nan 8.250 nan 0.000 0.476 66 K N 2.626 122.927 120.400 -0.166 0.000 1.850 66 K HA -0.215 4.105 4.320 0.000 0.000 0.415 66 K C -1.071 175.458 176.600 -0.119 0.000 1.767 66 K CA 1.848 58.064 56.287 -0.118 0.000 0.759 66 K CB -0.848 31.602 32.500 -0.083 0.000 1.141 66 K HN 0.904 nan 8.250 nan 0.000 0.757 67 D N 1.458 121.808 120.400 -0.083 0.000 2.563 67 D HA 0.192 4.833 4.640 0.000 0.000 0.222 67 D C -0.104 176.140 176.300 -0.094 0.000 1.145 67 D CA 0.205 54.153 54.000 -0.087 0.000 1.001 67 D CB 0.362 41.132 40.800 -0.050 0.000 1.049 67 D HN 0.356 nan 8.370 nan 0.000 0.515 68 S N -0.360 115.252 115.700 -0.147 0.000 2.681 68 S HA 0.361 4.831 4.470 0.000 0.000 0.299 68 S C 1.298 175.799 174.600 -0.164 0.000 1.113 68 S CA -0.589 57.527 58.200 -0.139 0.000 1.013 68 S CB 1.193 64.298 63.200 -0.158 0.000 1.076 68 S HN 0.314 nan 8.310 nan 0.000 0.534 69 T N 0.397 114.890 114.554 -0.102 0.000 3.107 69 T HA 0.302 4.652 4.350 0.000 0.000 0.249 69 T C 0.106 174.772 174.700 -0.056 0.000 1.096 69 T CA -0.019 62.040 62.100 -0.068 0.000 1.012 69 T CB -0.080 68.782 68.868 -0.010 0.000 0.977 69 T HN 0.244 nan 8.240 nan 0.000 0.527 70 K N 1.374 121.711 120.400 -0.104 0.000 2.183 70 K HA 0.354 4.674 4.320 0.000 0.000 0.274 70 K C -1.142 175.375 176.600 -0.138 0.000 1.009 70 K CA -0.504 55.756 56.287 -0.045 0.000 0.888 70 K CB 1.243 33.728 32.500 -0.026 0.000 1.078 70 K HN 0.341 nan 8.250 nan 0.000 0.459 71 W N 1.682 122.960 121.300 -0.037 0.000 2.448 71 W HA 0.358 5.018 4.660 0.000 0.000 0.339 71 W C 0.833 177.314 176.519 -0.063 0.000 1.124 71 W CA -0.485 56.829 57.345 -0.052 0.000 1.262 71 W CB 1.001 30.432 29.460 -0.049 0.000 1.251 71 W HN 0.115 nan 8.180 nan 0.000 0.597 72 R N 3.083 123.692 120.500 0.181 0.000 2.437 72 R HA 0.234 4.574 4.340 0.000 0.000 0.310 72 R C -0.586 175.720 176.300 0.011 0.000 0.955 72 R CA -1.016 55.117 56.100 0.055 0.000 0.851 72 R CB 1.624 31.905 30.300 -0.031 0.000 1.161 72 R HN 0.578 nan 8.270 nan 0.000 0.446 73 K N 3.576 123.967 120.400 -0.015 0.000 2.350 73 K HA 0.146 4.466 4.320 0.000 0.000 0.279 73 K C -1.019 175.485 176.600 -0.161 0.000 1.027 73 K CA -0.272 55.954 56.287 -0.102 0.000 0.969 73 K CB 0.566 33.012 32.500 -0.089 0.000 0.954 73 K HN 0.247 nan 8.250 nan 0.000 0.474 74 L N 5.448 126.473 121.223 -0.329 0.000 2.404 74 L HA 0.301 4.641 4.340 0.000 0.000 0.272 74 L C -1.471 175.254 176.870 -0.240 0.000 0.980 74 L CA -0.529 54.096 54.840 -0.358 0.000 0.836 74 L CB 2.035 43.627 42.059 -0.778 0.000 1.238 74 L HN 0.424 nan 8.230 nan 0.000 0.408 75 V N 4.070 123.888 119.914 -0.161 0.000 2.304 75 V HA 0.211 4.332 4.120 0.000 0.000 0.269 75 V C 0.047 175.995 176.094 -0.244 0.000 1.036 75 V CA -0.815 61.288 62.300 -0.329 0.000 0.840 75 V CB 0.996 32.386 31.823 -0.722 0.000 1.036 75 V HN 0.679 nan 8.190 nan 0.000 0.466 76 D N 3.987 124.407 120.400 0.034 0.000 2.433 76 D HA -0.082 4.558 4.640 0.000 0.000 0.274 76 D C 0.137 176.451 176.300 0.024 0.000 1.344 76 D CA 0.427 54.518 54.000 0.151 0.000 0.989 76 D CB 0.335 41.291 40.800 0.261 0.000 1.116 76 D HN 0.390 nan 8.370 nan 0.000 0.533 77 F N 2.975 123.036 119.950 0.184 0.000 2.639 77 F HA 0.147 4.674 4.527 0.000 0.000 0.302 77 F C 1.974 177.879 175.800 0.174 0.000 1.097 77 F CA -0.403 57.704 58.000 0.179 0.000 1.294 77 F CB 0.191 39.317 39.000 0.211 0.000 1.027 77 F HN 0.439 nan 8.300 nan 0.000 0.550 78 R N -0.771 119.907 120.500 0.297 0.000 2.189 78 R HA -0.089 4.251 4.340 0.000 0.000 0.218 78 R C 1.502 177.914 176.300 0.186 0.000 1.074 78 R CA 1.025 57.251 56.100 0.209 0.000 0.991 78 R CB -0.322 30.032 30.300 0.090 0.000 0.883 78 R HN 0.122 nan 8.270 nan 0.000 0.457 79 E N 1.760 122.074 120.200 0.191 0.000 2.007 79 E HA -0.158 4.192 4.350 0.000 0.000 0.194 79 E C 1.878 178.598 176.600 0.201 0.000 0.999 79 E CA 1.023 57.525 56.400 0.169 0.000 0.811 79 E CB -0.385 29.413 29.700 0.163 0.000 0.762 79 E HN 0.219 nan 8.360 nan 0.000 0.450 80 L N 1.322 122.707 121.223 0.270 0.000 2.021 80 L HA -0.262 4.078 4.340 0.000 0.000 0.215 80 L C 1.607 178.652 176.870 0.292 0.000 1.074 80 L CA 2.034 57.026 54.840 0.253 0.000 0.760 80 L CB -1.016 41.222 42.059 0.299 0.000 0.889 80 L HN 0.130 nan 8.230 nan 0.000 0.433 81 N N 0.149 119.040 118.700 0.319 0.000 2.069 81 N HA -0.197 4.543 4.740 0.000 0.000 0.191 81 N C 1.768 177.418 175.510 0.233 0.000 1.031 81 N CA 1.661 54.874 53.050 0.272 0.000 0.852 81 N CB -0.315 38.301 38.487 0.214 0.000 1.018 81 N HN 0.457 nan 8.380 nan 0.000 0.423 82 K N 0.617 121.138 120.400 0.201 0.000 2.089 82 K HA -0.128 4.192 4.320 0.000 0.000 0.210 82 K C 1.781 178.459 176.600 0.131 0.000 1.048 82 K CA 1.329 57.714 56.287 0.163 0.000 0.926 82 K CB -0.146 32.426 32.500 0.120 0.000 0.714 82 K HN 0.199 nan 8.250 nan 0.000 0.448 83 R N 0.180 120.757 120.500 0.128 0.000 2.300 83 R HA 0.060 4.400 4.340 0.000 0.000 0.199 83 R C 0.332 176.695 176.300 0.106 0.000 0.920 83 R CA 0.162 56.310 56.100 0.080 0.000 1.046 83 R CB 0.398 30.720 30.300 0.036 0.000 0.984 83 R HN 0.009 nan 8.270 nan 0.000 0.493 84 T N 1.365 116.044 114.554 0.207 0.000 2.907 84 T HA 0.030 4.380 4.350 0.000 0.000 0.298 84 T C 0.024 174.804 174.700 0.134 0.000 1.017 84 T CA -0.384 61.891 62.100 0.291 0.000 1.118 84 T CB 1.215 70.365 68.868 0.470 0.000 0.948 84 T HN 0.008 nan 8.240 nan 0.000 0.531 85 Q N 2.463 122.291 119.800 0.047 0.000 2.333 85 Q HA -0.047 4.293 4.340 0.000 0.000 0.299 85 Q C -0.459 175.370 176.000 -0.286 0.000 1.067 85 Q CA 0.375 56.077 55.803 -0.167 0.000 0.943 85 Q CB 0.217 28.776 28.738 -0.298 0.000 1.233 85 Q HN 0.422 nan 8.270 nan 0.000 0.401 86 D N 4.796 125.048 120.400 -0.247 0.000 2.346 86 D HA -0.010 4.630 4.640 0.000 0.000 0.267 86 D C -0.004 176.108 176.300 -0.313 0.000 1.320 86 D CA 0.334 54.239 54.000 -0.158 0.000 0.951 86 D CB 0.029 40.724 40.800 -0.175 0.000 1.079 86 D HN 0.559 nan 8.370 nan 0.000 0.509 87 F N 0.768 120.717 119.950 -0.002 0.000 2.270 87 F HA -0.047 4.480 4.527 0.000 0.000 0.295 87 F C 2.211 178.055 175.800 0.074 0.000 1.087 87 F CA -0.482 57.504 58.000 -0.024 0.000 1.365 87 F CB -0.330 38.589 39.000 -0.135 0.000 1.056 87 F HN 0.459 nan 8.300 nan 0.000 0.506 88 W N 2.006 123.339 121.300 0.055 0.000 2.187 88 W HA -0.391 4.269 4.660 0.000 0.000 0.346 88 W C 2.127 178.652 176.519 0.009 0.000 1.443 88 W CA 2.891 60.242 57.345 0.009 0.000 1.482 88 W CB -0.887 28.566 29.460 -0.013 0.000 1.062 88 W HN 0.299 nan 8.180 nan 0.000 0.479 89 E N -2.326 118.006 120.200 0.221 0.000 2.378 89 E HA -0.030 4.321 4.350 0.000 0.000 0.200 89 E C 2.043 178.656 176.600 0.023 0.000 0.882 89 E CA 0.755 57.197 56.400 0.069 0.000 1.061 89 E CB -0.387 29.244 29.700 -0.115 0.000 1.049 89 E HN -0.090 nan 8.360 nan 0.000 0.494 90 V N 1.214 121.103 119.914 -0.042 0.000 2.667 90 V HA -0.062 4.059 4.120 0.000 0.000 0.252 90 V C 0.940 177.022 176.094 -0.019 0.000 1.065 90 V CA 1.148 63.407 62.300 -0.067 0.000 1.083 90 V CB 0.043 31.775 31.823 -0.153 0.000 0.692 90 V HN 0.265 nan 8.190 nan 0.000 0.468 91 Q N -0.213 119.612 119.800 0.041 0.000 2.215 91 Q HA 0.500 4.840 4.340 0.000 0.000 0.337 91 Q C -0.859 175.230 176.000 0.149 0.000 0.887 91 Q CA 0.196 56.078 55.803 0.131 0.000 1.134 91 Q CB 1.732 30.654 28.738 0.307 0.000 1.303 91 Q HN 0.441 nan 8.270 nan 0.000 0.421 92 L N -1.235 120.058 121.223 0.116 0.000 2.513 92 L HA 0.589 4.929 4.340 0.000 0.000 0.261 92 L C 0.465 177.392 176.870 0.096 0.000 0.945 92 L CA -0.649 54.252 54.840 0.101 0.000 0.848 92 L CB 2.399 44.528 42.059 0.117 0.000 1.334 92 L HN 0.198 nan 8.230 nan 0.000 0.407 93 G N 2.325 111.173 108.800 0.079 0.000 3.651 93 G HA2 0.274 4.234 3.960 0.000 0.000 0.279 93 G HA3 0.274 4.234 3.960 0.000 0.000 0.279 93 G C 0.026 174.981 174.900 0.093 0.000 1.024 93 G CA -0.073 45.073 45.100 0.078 0.000 0.813 93 G HN 0.308 nan 8.290 nan 0.000 0.518 94 I N 2.710 123.350 120.570 0.116 0.000 2.578 94 I HA 0.215 4.385 4.170 0.000 0.000 0.286 94 I C -1.786 174.433 176.117 0.170 0.000 1.126 94 I CA -1.690 59.696 61.300 0.144 0.000 1.380 94 I CB 0.305 38.413 38.000 0.181 0.000 1.408 94 I HN -0.059 nan 8.210 nan 0.000 0.532 95 P HA 0.137 nan 4.420 nan 0.000 0.272 95 P C -0.763 176.637 177.300 0.167 0.000 1.223 95 P CA -0.288 62.900 63.100 0.146 0.000 0.784 95 P CB 0.375 32.133 31.700 0.096 0.000 0.923 96 H N 2.159 121.269 119.070 0.068 0.000 2.620 96 H HA 0.295 4.851 4.556 0.000 0.000 0.313 96 H C -1.929 173.337 175.328 -0.104 0.000 1.075 96 H CA -1.918 54.102 56.048 -0.046 0.000 1.397 96 H CB 0.072 29.803 29.762 -0.050 0.000 1.446 96 H HN 0.205 nan 8.280 nan 0.000 0.493 97 P HA 0.061 nan 4.420 nan 0.000 0.263 97 P C -0.025 177.019 177.300 -0.427 0.000 1.276 97 P CA 0.176 63.009 63.100 -0.445 0.000 0.986 97 P CB 0.339 31.788 31.700 -0.418 0.000 1.105 98 A N 3.445 126.162 122.820 -0.171 0.000 2.119 98 A HA 0.011 4.331 4.320 0.000 0.000 0.217 98 A C 2.164 179.682 177.584 -0.110 0.000 1.153 98 A CA 1.506 53.495 52.037 -0.081 0.000 0.692 98 A CB -0.859 18.136 19.000 -0.010 0.000 0.799 98 A HN 0.510 nan 8.150 nan 0.000 0.458 99 G N -0.716 108.015 108.800 -0.116 0.000 2.650 99 G HA2 0.072 4.032 3.960 0.000 0.000 0.214 99 G HA3 0.072 4.032 3.960 0.000 0.000 0.214 99 G C 1.306 176.138 174.900 -0.114 0.000 1.136 99 G CA 0.784 45.829 45.100 -0.093 0.000 0.789 99 G HN 0.431 nan 8.290 nan 0.000 0.536 100 L N 1.588 122.713 121.223 -0.164 0.000 2.056 100 L HA 0.030 4.370 4.340 0.000 0.000 0.207 100 L C 2.786 179.554 176.870 -0.170 0.000 1.078 100 L CA 2.191 56.936 54.840 -0.158 0.000 0.749 100 L CB -0.372 41.545 42.059 -0.236 0.000 0.901 100 L HN 0.389 nan 8.230 nan 0.000 0.433 101 K N -0.919 119.371 120.400 -0.184 0.000 2.519 101 K HA -0.143 4.177 4.320 0.000 0.000 0.196 101 K C 1.157 177.626 176.600 -0.220 0.000 1.041 101 K CA 1.439 57.603 56.287 -0.206 0.000 0.954 101 K CB -0.251 32.140 32.500 -0.182 0.000 0.774 101 K HN 0.275 nan 8.250 nan 0.000 0.480 102 K N 0.571 120.869 120.400 -0.170 0.000 2.564 102 K HA 0.181 4.502 4.320 0.000 0.000 0.205 102 K C -0.596 175.929 176.600 -0.124 0.000 1.053 102 K CA -0.311 55.890 56.287 -0.143 0.000 1.072 102 K CB 0.766 33.208 32.500 -0.096 0.000 0.822 102 K HN -0.033 nan 8.250 nan 0.000 0.497 103 K N 1.311 121.629 120.400 -0.137 0.000 2.130 103 K HA 0.142 4.462 4.320 0.000 0.000 0.268 103 K C 0.743 177.284 176.600 -0.097 0.000 0.983 103 K CA -0.137 56.096 56.287 -0.090 0.000 0.893 103 K CB 1.927 34.396 32.500 -0.052 0.000 1.066 103 K HN -0.069 nan 8.250 nan 0.000 0.450 104 K N 1.038 121.405 120.400 -0.054 0.000 2.001 104 K HA -0.103 4.217 4.320 0.000 0.000 0.214 104 K C 0.035 176.682 176.600 0.077 0.000 1.050 104 K CA 1.489 57.764 56.287 -0.021 0.000 0.934 104 K CB 0.143 32.629 32.500 -0.022 0.000 0.718 104 K HN 0.436 nan 8.250 nan 0.000 0.443 105 S N -0.314 115.349 115.700 -0.063 0.000 2.521 105 S HA 0.496 4.966 4.470 0.000 0.000 0.295 105 S C -1.427 173.032 174.600 -0.235 0.000 1.098 105 S CA -1.001 57.029 58.200 -0.282 0.000 0.999 105 S CB 2.531 65.322 63.200 -0.681 0.000 1.034 105 S HN 0.023 nan 8.310 nan 0.000 0.483 106 V N 2.683 122.490 119.914 -0.179 0.000 2.577 106 V HA 0.535 4.655 4.120 0.000 0.000 0.303 106 V C -0.268 175.911 176.094 0.143 0.000 1.042 106 V CA -0.558 61.784 62.300 0.070 0.000 0.872 106 V CB 2.103 33.976 31.823 0.083 0.000 0.998 106 V HN 0.915 nan 8.190 nan 0.000 0.423 107 T N 3.853 118.563 114.554 0.261 0.000 2.859 107 T HA 0.567 4.917 4.350 0.000 0.000 0.281 107 T C -0.327 174.444 174.700 0.119 0.000 1.005 107 T CA -0.435 61.806 62.100 0.234 0.000 1.025 107 T CB 1.815 70.847 68.868 0.274 0.000 0.977 107 T HN 0.353 nan 8.240 nan 0.000 0.458 108 V N 4.614 124.551 119.914 0.038 0.000 2.333 108 V HA 0.377 4.497 4.120 0.000 0.000 0.274 108 V C -0.082 175.920 176.094 -0.154 0.000 1.028 108 V CA -0.681 61.482 62.300 -0.229 0.000 0.851 108 V CB 0.412 32.052 31.823 -0.306 0.000 1.000 108 V HN 0.690 nan 8.190 nan 0.000 0.456 109 L N 3.469 124.599 121.223 -0.155 0.000 2.325 109 L HA 0.518 4.858 4.340 0.000 0.000 0.279 109 L C 0.094 176.865 176.870 -0.165 0.000 1.054 109 L CA -0.540 54.238 54.840 -0.103 0.000 0.804 109 L CB 1.554 43.562 42.059 -0.084 0.000 1.200 109 L HN 0.528 nan 8.230 nan 0.000 0.436 110 D N 1.878 122.189 120.400 -0.148 0.000 2.441 110 D HA 0.139 4.779 4.640 0.000 0.000 0.221 110 D C 0.604 176.782 176.300 -0.203 0.000 1.156 110 D CA -0.384 53.513 54.000 -0.171 0.000 0.896 110 D CB 1.251 41.957 40.800 -0.158 0.000 1.028 110 D HN 0.277 nan 8.370 nan 0.000 0.509 111 V N 2.005 121.765 119.914 -0.257 0.000 3.577 111 V HA 0.325 4.445 4.120 0.000 0.000 0.294 111 V C 1.884 177.636 176.094 -0.570 0.000 1.317 111 V CA 0.539 62.627 62.300 -0.352 0.000 1.169 111 V CB -0.053 31.565 31.823 -0.342 0.000 1.011 111 V HN 0.417 nan 8.190 nan 0.000 0.426 112 G N 0.405 108.914 108.800 -0.486 0.000 2.507 112 G HA2 -0.322 3.638 3.960 0.000 0.000 0.221 112 G HA3 -0.322 3.638 3.960 0.000 0.000 0.221 112 G C 1.277 175.731 174.900 -0.744 0.000 1.119 112 G CA 1.127 45.876 45.100 -0.585 0.000 0.751 112 G HN 0.566 nan 8.290 nan 0.000 0.574 113 D N 0.729 120.776 120.400 -0.588 0.000 2.219 113 D HA -0.019 4.621 4.640 0.000 0.000 0.205 113 D C 2.649 178.567 176.300 -0.637 0.000 0.970 113 D CA 0.894 54.527 54.000 -0.611 0.000 0.851 113 D CB -0.024 40.602 40.800 -0.290 0.000 0.943 113 D HN 0.300 nan 8.370 nan 0.000 0.488 114 A N -0.510 121.934 122.820 -0.627 0.000 2.216 114 A HA -0.123 4.197 4.320 0.000 0.000 0.214 114 A C 1.642 178.843 177.584 -0.638 0.000 1.160 114 A CA 0.428 52.139 52.037 -0.543 0.000 0.725 114 A CB -0.853 17.805 19.000 -0.571 0.000 0.784 114 A HN 0.419 nan 8.150 nan 0.000 0.472 115 Y N -2.070 117.819 120.300 -0.686 0.000 2.395 115 Y HA -0.100 4.450 4.550 0.000 0.000 0.293 115 Y C 1.381 177.222 175.900 -0.097 0.000 1.123 115 Y CA 0.044 57.837 58.100 -0.513 0.000 1.227 115 Y CB -0.011 38.197 38.460 -0.421 0.000 1.012 115 Y HN 0.354 nan 8.280 nan 0.000 0.552 116 F N -0.230 119.784 119.950 0.107 0.000 2.771 116 F HA -0.123 4.404 4.527 0.000 0.000 0.299 116 F C 2.395 178.266 175.800 0.119 0.000 1.177 116 F CA 0.448 58.523 58.000 0.125 0.000 1.450 116 F CB -1.113 37.951 39.000 0.106 0.000 1.114 116 F HN 0.027 nan 8.300 nan 0.000 0.587 117 S N -1.304 114.557 115.700 0.270 0.000 2.425 117 S HA 0.048 4.518 4.470 0.000 0.000 0.225 117 S C 0.745 175.491 174.600 0.243 0.000 1.024 117 S CA 0.093 58.438 58.200 0.241 0.000 0.951 117 S CB -0.612 62.741 63.200 0.255 0.000 0.796 117 S HN -0.060 nan 8.310 nan 0.000 0.498 118 V N 5.236 125.313 119.914 0.271 0.000 2.432 118 V HA 0.395 4.515 4.120 0.000 0.000 0.275 118 V C -2.112 174.097 176.094 0.191 0.000 1.043 118 V CA -2.136 60.305 62.300 0.234 0.000 0.925 118 V CB 1.021 33.008 31.823 0.273 0.000 0.985 118 V HN 0.336 nan 8.190 nan 0.000 0.466 119 P HA 0.157 nan 4.420 nan 0.000 0.272 119 P C -0.941 176.428 177.300 0.114 0.000 1.230 119 P CA -0.268 62.908 63.100 0.127 0.000 0.788 119 P CB 1.128 32.888 31.700 0.100 0.000 0.949 120 L N 2.009 123.296 121.223 0.107 0.000 2.346 120 L HA 0.372 4.712 4.340 0.000 0.000 0.276 120 L C -0.221 176.698 176.870 0.083 0.000 1.006 120 L CA -0.615 54.276 54.840 0.085 0.000 0.817 120 L CB 1.408 43.513 42.059 0.077 0.000 1.272 120 L HN 0.339 nan 8.230 nan 0.000 0.421 121 D N 3.356 123.803 120.400 0.079 0.000 2.570 121 D HA -0.158 4.482 4.640 0.000 0.000 0.243 121 D C 1.202 177.572 176.300 0.116 0.000 1.171 121 D CA 0.604 54.665 54.000 0.100 0.000 0.879 121 D CB 0.921 41.791 40.800 0.116 0.000 1.143 121 D HN 0.698 nan 8.370 nan 0.000 0.511 122 E N 3.341 123.591 120.200 0.083 0.000 2.172 122 E HA -0.309 4.041 4.350 0.000 0.000 0.213 122 E C 0.928 177.559 176.600 0.051 0.000 1.051 122 E CA 2.191 58.627 56.400 0.059 0.000 0.860 122 E CB -0.179 29.548 29.700 0.045 0.000 0.755 122 E HN 0.632 nan 8.360 nan 0.000 0.462 123 D N -1.739 118.710 120.400 0.083 0.000 2.363 123 D HA -0.063 4.577 4.640 0.000 0.000 0.220 123 D C 1.041 177.384 176.300 0.070 0.000 0.994 123 D CA 0.328 54.366 54.000 0.063 0.000 0.890 123 D CB -0.058 40.803 40.800 0.102 0.000 0.906 123 D HN 0.250 nan 8.370 nan 0.000 0.530 124 F N 1.530 121.466 119.950 -0.023 0.000 2.619 124 F HA 0.109 4.636 4.527 0.000 0.000 0.293 124 F C 2.145 177.868 175.800 -0.128 0.000 1.119 124 F CA 0.171 58.184 58.000 0.022 0.000 1.445 124 F CB 0.182 39.194 39.000 0.019 0.000 1.119 124 F HN -0.243 nan 8.300 nan 0.000 0.573 125 R N 1.130 121.597 120.500 -0.055 0.000 2.113 125 R HA -0.249 4.091 4.340 0.000 0.000 0.244 125 R C 2.069 178.258 176.300 -0.185 0.000 1.142 125 R CA 2.113 58.172 56.100 -0.068 0.000 0.953 125 R CB -0.953 29.341 30.300 -0.009 0.000 0.860 125 R HN 0.394 nan 8.270 nan 0.000 0.438 126 K N -0.259 119.945 120.400 -0.327 0.000 2.362 126 K HA -0.165 4.155 4.320 0.000 0.000 0.202 126 K C 1.190 177.578 176.600 -0.353 0.000 1.045 126 K CA 1.578 57.681 56.287 -0.306 0.000 0.936 126 K CB -0.262 32.039 32.500 -0.332 0.000 0.747 126 K HN 0.227 nan 8.250 nan 0.000 0.467 127 Y N 1.909 121.939 120.300 -0.450 0.000 2.490 127 Y HA -0.003 4.547 4.550 0.000 0.000 0.285 127 Y C 2.081 177.826 175.900 -0.258 0.000 1.117 127 Y CA 0.914 58.640 58.100 -0.622 0.000 1.262 127 Y CB -0.078 37.716 38.460 -1.109 0.000 1.043 127 Y HN 0.283 nan 8.280 nan 0.000 0.553 128 T N -2.006 112.554 114.554 0.009 0.000 3.244 128 T HA 0.546 4.896 4.350 0.000 0.000 0.254 128 T C 0.680 175.664 174.700 0.473 0.000 1.024 128 T CA -0.119 62.161 62.100 0.300 0.000 0.920 128 T CB -0.725 68.299 68.868 0.260 0.000 1.042 128 T HN 0.161 nan 8.240 nan 0.000 0.572 129 A N 1.778 124.769 122.820 0.285 0.000 2.462 129 A HA 0.610 4.930 4.320 0.000 0.000 0.243 129 A C -0.136 177.619 177.584 0.285 0.000 1.076 129 A CA -0.621 51.539 52.037 0.205 0.000 0.773 129 A CB -0.269 18.793 19.000 0.105 0.000 1.010 129 A HN 0.823 nan 8.150 nan 0.000 0.493 130 F N -0.950 119.055 119.950 0.091 0.000 2.662 130 F HA 0.800 5.327 4.527 0.000 0.000 0.312 130 F C -0.502 175.314 175.800 0.027 0.000 1.113 130 F CA -0.786 57.233 58.000 0.031 0.000 0.951 130 F CB 1.459 40.461 39.000 0.003 0.000 1.344 130 F HN 0.352 nan 8.300 nan 0.000 0.462 131 T N 3.093 117.730 114.554 0.140 0.000 2.841 131 T HA 0.556 4.907 4.350 0.000 0.000 0.285 131 T C -0.459 174.295 174.700 0.090 0.000 0.991 131 T CA -0.430 61.685 62.100 0.025 0.000 0.966 131 T CB 1.334 70.186 68.868 -0.026 0.000 0.962 131 T HN 0.600 nan 8.240 nan 0.000 0.438 132 I N 5.642 126.270 120.570 0.098 0.000 2.371 132 I HA 0.296 4.466 4.170 0.000 0.000 0.290 132 I C -1.847 174.278 176.117 0.014 0.000 1.028 132 I CA -2.243 59.106 61.300 0.081 0.000 1.345 132 I CB 1.148 39.220 38.000 0.121 0.000 1.407 132 I HN 0.321 nan 8.210 nan 0.000 0.501 133 P HA 0.184 nan 4.420 nan 0.000 0.278 133 P C -0.873 176.414 177.300 -0.021 0.000 1.266 133 P CA -0.422 62.666 63.100 -0.020 0.000 0.807 133 P CB 1.251 32.937 31.700 -0.024 0.000 1.094 134 S N -0.207 115.480 115.700 -0.022 0.000 2.536 134 S HA 0.528 4.998 4.470 0.000 0.000 0.298 134 S C 0.156 174.742 174.600 -0.023 0.000 1.083 134 S CA -0.977 57.209 58.200 -0.025 0.000 0.995 134 S CB 0.482 63.667 63.200 -0.024 0.000 1.058 134 S HN 0.277 nan 8.310 nan 0.000 0.488 135 I N 2.810 123.365 120.570 -0.026 0.000 2.752 135 I HA 0.034 4.205 4.170 0.000 0.000 0.289 135 I C 1.152 177.257 176.117 -0.019 0.000 1.197 135 I CA 0.380 61.666 61.300 -0.023 0.000 1.432 135 I CB -0.358 37.627 38.000 -0.024 0.000 1.359 135 I HN 0.992 nan 8.210 nan 0.000 0.571 136 N N 5.099 123.789 118.700 -0.016 0.000 2.708 136 N HA -0.282 4.458 4.740 0.000 0.000 0.251 136 N C 0.070 175.571 175.510 -0.015 0.000 1.123 136 N CA 1.155 54.196 53.050 -0.014 0.000 0.739 136 N CB -0.966 37.513 38.487 -0.013 0.000 1.113 136 N HN 0.831 nan 8.380 nan 0.000 0.561 137 N N -0.785 117.905 118.700 -0.016 0.000 2.735 137 N HA -0.258 4.482 4.740 0.000 0.000 0.248 137 N C 0.740 176.238 175.510 -0.019 0.000 1.083 137 N CA 1.194 54.234 53.050 -0.018 0.000 0.703 137 N CB -1.023 37.455 38.487 -0.015 0.000 1.005 137 N HN 0.830 nan 8.380 nan 0.000 0.550 138 E N 0.267 120.455 120.200 -0.019 0.000 2.204 138 E HA -0.129 4.221 4.350 0.000 0.000 0.195 138 E C 0.737 177.324 176.600 -0.023 0.000 0.990 138 E CA 1.414 57.802 56.400 -0.020 0.000 0.821 138 E CB 0.285 29.974 29.700 -0.019 0.000 0.750 138 E HN 0.539 nan 8.360 nan 0.000 0.477 139 T N -1.466 113.073 114.554 -0.025 0.000 2.887 139 T HA 0.499 4.849 4.350 0.000 0.000 0.292 139 T C -2.758 171.923 174.700 -0.033 0.000 1.087 139 T CA -1.967 60.115 62.100 -0.030 0.000 1.009 139 T CB 1.715 70.563 68.868 -0.033 0.000 1.203 139 T HN -0.163 nan 8.240 nan 0.000 0.518 140 P HA 0.298 nan 4.420 nan 0.000 0.271 140 P C 0.644 177.915 177.300 -0.049 0.000 1.233 140 P CA -0.047 63.028 63.100 -0.043 0.000 0.789 140 P CB -0.197 31.473 31.700 -0.050 0.000 0.951 141 G N 1.167 109.938 108.800 -0.050 0.000 2.484 141 G HA2 0.253 4.213 3.960 0.000 0.000 0.235 141 G HA3 0.253 4.213 3.960 0.000 0.000 0.235 141 G C -0.168 174.681 174.900 -0.085 0.000 1.282 141 G CA -0.361 44.706 45.100 -0.055 0.000 0.857 141 G HN 0.383 nan 8.290 nan 0.000 0.571 142 I N 2.007 122.526 120.570 -0.086 0.000 2.328 142 I HA 0.310 4.480 4.170 0.000 0.000 0.287 142 I C 0.608 176.575 176.117 -0.250 0.000 1.012 142 I CA -0.405 60.800 61.300 -0.158 0.000 1.195 142 I CB 1.249 39.196 38.000 -0.089 0.000 1.350 142 I HN 0.432 nan 8.210 nan 0.000 0.464 143 R N 5.003 125.276 120.500 -0.380 0.000 2.428 143 R HA 0.594 4.934 4.340 0.000 0.000 0.294 143 R C -1.325 174.543 176.300 -0.720 0.000 1.000 143 R CA -0.382 55.464 56.100 -0.424 0.000 0.960 143 R CB 1.586 31.717 30.300 -0.281 0.000 1.076 143 R HN 0.356 nan 8.270 nan 0.000 0.475 144 Y N 0.232 120.124 120.300 -0.679 0.000 2.605 144 Y HA 0.299 4.849 4.550 0.000 0.000 0.343 144 Y C -0.182 175.364 175.900 -0.591 0.000 1.036 144 Y CA -0.709 56.947 58.100 -0.740 0.000 1.065 144 Y CB 2.180 39.960 38.460 -1.133 0.000 1.288 144 Y HN 0.488 nan 8.280 nan 0.000 0.481 145 Q N 0.043 119.759 119.800 -0.141 0.000 2.462 145 Q HA 0.474 4.814 4.340 0.000 0.000 0.285 145 Q C -2.138 173.892 176.000 0.050 0.000 1.035 145 Q CA -1.001 54.813 55.803 0.018 0.000 0.799 145 Q CB 1.936 30.683 28.738 0.015 0.000 1.452 145 Q HN 0.665 nan 8.270 nan 0.000 0.404 146 Y N 1.250 121.640 120.300 0.150 0.000 2.326 146 Y HA 0.201 4.752 4.550 0.000 0.000 0.333 146 Y C 0.642 176.577 175.900 0.058 0.000 1.240 146 Y CA 0.641 58.815 58.100 0.123 0.000 1.365 146 Y CB 1.255 39.803 38.460 0.146 0.000 1.289 146 Y HN 0.801 nan 8.280 nan 0.000 0.548 147 N N -0.220 118.593 118.700 0.188 0.000 2.397 147 N HA 0.095 4.835 4.740 0.000 0.000 0.190 147 N C -0.399 175.207 175.510 0.160 0.000 1.099 147 N CA 0.091 53.218 53.050 0.128 0.000 0.876 147 N CB 0.698 39.225 38.487 0.068 0.000 1.143 147 N HN 0.362 nan 8.380 nan 0.000 0.468 148 V N -0.949 119.103 119.914 0.230 0.000 3.438 148 V HA 0.463 4.584 4.120 0.000 0.000 0.298 148 V C 0.122 176.375 176.094 0.265 0.000 1.148 148 V CA -1.142 61.311 62.300 0.254 0.000 0.994 148 V CB 0.692 32.699 31.823 0.306 0.000 1.236 148 V HN -0.060 nan 8.190 nan 0.000 0.455 149 L N 2.143 123.515 121.223 0.249 0.000 2.361 149 L HA 0.392 4.732 4.340 0.000 0.000 0.278 149 L C -2.274 174.685 176.870 0.148 0.000 1.113 149 L CA -1.374 53.545 54.840 0.132 0.000 0.849 149 L CB 0.857 42.927 42.059 0.018 0.000 1.155 149 L HN 0.515 nan 8.230 nan 0.000 0.452 150 P HA 0.094 nan 4.420 nan 0.000 0.276 150 P C -1.150 176.177 177.300 0.045 0.000 1.230 150 P CA -0.454 62.436 63.100 -0.350 0.000 0.776 150 P CB 0.506 31.733 31.700 -0.787 0.000 0.888 151 Q N 1.592 121.531 119.800 0.232 0.000 2.297 151 Q HA 0.389 4.729 4.340 0.000 0.000 0.267 151 Q C 1.142 177.324 176.000 0.304 0.000 1.006 151 Q CA 0.488 56.451 55.803 0.267 0.000 0.896 151 Q CB 0.076 28.935 28.738 0.202 0.000 1.186 151 Q HN 0.856 nan 8.270 nan 0.000 0.392 152 G N 2.048 111.022 108.800 0.290 0.000 2.213 152 G HA2 -0.240 3.720 3.960 0.000 0.000 0.226 152 G HA3 -0.240 3.720 3.960 0.000 0.000 0.226 152 G C -0.707 174.416 174.900 0.372 0.000 0.992 152 G CA -0.411 44.919 45.100 0.383 0.000 0.632 152 G HN 0.651 nan 8.290 nan 0.000 0.511 153 W N 3.310 124.549 121.300 -0.102 0.000 2.322 153 W HA 0.622 5.282 4.660 0.000 0.000 0.307 153 W C 1.393 177.752 176.519 -0.266 0.000 1.220 153 W CA -0.752 56.372 57.345 -0.369 0.000 1.210 153 W CB 1.135 30.211 29.460 -0.639 0.000 1.223 153 W HN 0.215 nan 8.180 nan 0.000 0.511 154 K N 3.481 123.517 120.400 -0.607 0.000 2.362 154 K HA 0.013 4.333 4.320 0.000 0.000 0.200 154 K C 1.752 177.733 176.600 -1.033 0.000 1.046 154 K CA 1.757 57.664 56.287 -0.633 0.000 0.952 154 K CB -0.532 31.747 32.500 -0.367 0.000 0.753 154 K HN 0.526 nan 8.250 nan 0.000 0.466 155 G N 0.256 107.738 108.800 -2.196 0.000 2.432 155 G HA2 -0.222 3.738 3.960 0.000 0.000 0.219 155 G HA3 -0.222 3.738 3.960 0.000 0.000 0.219 155 G C 1.480 175.477 174.900 -1.504 0.000 1.135 155 G CA 0.722 44.305 45.100 -2.528 0.000 0.767 155 G HN 0.383 nan 8.290 nan 0.000 0.550 156 S N 1.322 116.382 115.700 -1.068 0.000 2.356 156 S HA -0.067 4.403 4.470 0.000 0.000 0.223 156 S C 0.379 174.519 174.600 -0.767 0.000 1.032 156 S CA 1.598 59.308 58.200 -0.816 0.000 1.005 156 S CB -0.644 61.923 63.200 -1.055 0.000 0.867 156 S HN 0.397 nan 8.310 nan 0.000 0.449 157 P HA -0.027 nan 4.420 nan 0.000 0.217 157 P C 1.294 178.496 177.300 -0.163 0.000 1.150 157 P CA 1.447 64.447 63.100 -0.167 0.000 0.832 157 P CB -0.144 31.457 31.700 -0.165 0.000 0.787 158 A N 0.592 123.224 122.820 -0.313 0.000 1.883 158 A HA -0.165 4.155 4.320 0.000 0.000 0.217 158 A C 2.309 179.752 177.584 -0.235 0.000 1.186 158 A CA 1.723 53.609 52.037 -0.252 0.000 0.624 158 A CB -1.444 17.361 19.000 -0.325 0.000 0.822 158 A HN 0.040 nan 8.150 nan 0.000 0.444 159 I N -1.939 118.421 120.570 -0.350 0.000 2.252 159 I HA -0.156 4.014 4.170 0.000 0.000 0.245 159 I C 2.235 178.320 176.117 -0.053 0.000 1.102 159 I CA 1.364 62.525 61.300 -0.232 0.000 1.385 159 I CB -1.257 36.594 38.000 -0.248 0.000 1.064 159 I HN 0.414 nan 8.210 nan 0.000 0.414 160 F N 1.600 121.460 119.950 -0.149 0.000 2.789 160 F HA -0.065 4.462 4.527 0.000 0.000 0.300 160 F C 2.389 178.167 175.800 -0.035 0.000 1.132 160 F CA 0.418 58.398 58.000 -0.033 0.000 1.404 160 F CB -0.151 38.917 39.000 0.114 0.000 1.114 160 F HN 0.058 nan 8.300 nan 0.000 0.584 161 Q N 0.909 120.711 119.800 0.002 0.000 2.012 161 Q HA -0.326 4.014 4.340 0.000 0.000 0.211 161 Q C 2.402 178.316 176.000 -0.144 0.000 1.009 161 Q CA 3.564 59.341 55.803 -0.043 0.000 0.866 161 Q CB -0.619 28.093 28.738 -0.043 0.000 0.945 161 Q HN 0.475 nan 8.270 nan 0.000 0.414 162 S N -0.570 115.033 115.700 -0.161 0.000 2.378 162 S HA -0.275 4.195 4.470 0.000 0.000 0.229 162 S C 2.127 176.570 174.600 -0.262 0.000 1.052 162 S CA 1.917 60.015 58.200 -0.170 0.000 1.084 162 S CB -1.097 62.018 63.200 -0.141 0.000 0.950 162 S HN 0.483 nan 8.310 nan 0.000 0.440 163 S N 1.498 116.921 115.700 -0.462 0.000 2.423 163 S HA 0.069 4.539 4.470 0.000 0.000 0.231 163 S C 1.761 176.029 174.600 -0.553 0.000 1.014 163 S CA 1.301 59.149 58.200 -0.586 0.000 0.965 163 S CB -0.476 62.154 63.200 -0.949 0.000 0.785 163 S HN 0.518 nan 8.310 nan 0.000 0.495 164 M N 2.205 121.518 119.600 -0.478 0.000 2.175 164 M HA -0.056 4.424 4.480 0.000 0.000 0.264 164 M C 1.899 178.080 176.300 -0.198 0.000 1.063 164 M CA 1.550 56.734 55.300 -0.193 0.000 1.119 164 M CB -1.218 31.393 32.600 0.018 0.000 1.377 164 M HN 0.154 nan 8.290 nan 0.000 0.415 165 T N 0.577 115.029 114.554 -0.171 0.000 2.746 165 T HA -0.137 4.213 4.350 0.000 0.000 0.267 165 T C 1.731 176.347 174.700 -0.139 0.000 1.039 165 T CA 1.691 63.718 62.100 -0.122 0.000 1.142 165 T CB -0.192 68.625 68.868 -0.085 0.000 0.866 165 T HN 0.451 nan 8.240 nan 0.000 0.444 166 K N 0.842 121.136 120.400 -0.177 0.000 1.985 166 K HA 0.017 4.337 4.320 0.000 0.000 0.210 166 K C 2.258 178.698 176.600 -0.267 0.000 1.047 166 K CA 1.294 57.489 56.287 -0.154 0.000 0.932 166 K CB -0.394 32.025 32.500 -0.136 0.000 0.716 166 K HN 0.288 nan 8.250 nan 0.000 0.439 167 I N 1.194 121.445 120.570 -0.533 0.000 2.264 167 I HA -0.283 3.887 4.170 0.000 0.000 0.248 167 I C 2.199 177.941 176.117 -0.624 0.000 1.111 167 I CA 1.328 61.977 61.300 -1.084 0.000 1.382 167 I CB -0.225 37.104 38.000 -1.118 0.000 1.060 167 I HN 0.157 nan 8.210 nan 0.000 0.418 168 L N -0.272 120.755 121.223 -0.326 0.000 2.249 168 L HA -0.082 4.258 4.340 0.000 0.000 0.207 168 L C 2.570 179.406 176.870 -0.058 0.000 1.090 168 L CA 0.390 55.127 54.840 -0.173 0.000 0.802 168 L CB -0.583 41.400 42.059 -0.128 0.000 0.947 168 L HN 0.227 nan 8.230 nan 0.000 0.453 169 E N 1.222 121.389 120.200 -0.054 0.000 2.132 169 E HA -0.269 4.081 4.350 0.000 0.000 0.218 169 E C -0.430 176.193 176.600 0.038 0.000 1.058 169 E CA 2.453 58.853 56.400 0.000 0.000 0.882 169 E CB -1.205 28.497 29.700 0.003 0.000 0.774 169 E HN 0.288 nan 8.360 nan 0.000 0.467 170 P HA -0.137 nan 4.420 nan 0.000 0.215 170 P C 1.508 178.830 177.300 0.036 0.000 1.157 170 P CA 1.267 64.437 63.100 0.117 0.000 0.868 170 P CB -0.396 31.481 31.700 0.294 0.000 0.788 171 F N 0.488 120.312 119.950 -0.211 0.000 2.134 171 F HA -0.138 4.389 4.527 0.000 0.000 0.299 171 F C 2.271 177.990 175.800 -0.136 0.000 1.097 171 F CA 1.472 59.299 58.000 -0.289 0.000 1.264 171 F CB -0.270 38.446 39.000 -0.474 0.000 1.001 171 F HN -0.285 nan 8.300 nan 0.000 0.479 172 R N 0.395 120.957 120.500 0.103 0.000 2.096 172 R HA -0.186 4.154 4.340 0.000 0.000 0.235 172 R C 2.373 178.651 176.300 -0.037 0.000 1.127 172 R CA 1.553 57.681 56.100 0.048 0.000 0.968 172 R CB -0.501 29.835 30.300 0.060 0.000 0.861 172 R HN 0.322 nan 8.270 nan 0.000 0.440 173 K N 1.267 121.647 120.400 -0.033 0.000 2.063 173 K HA -0.219 4.101 4.320 0.000 0.000 0.208 173 K C 1.848 178.405 176.600 -0.071 0.000 1.048 173 K CA 1.685 57.951 56.287 -0.034 0.000 0.928 173 K CB 0.044 32.539 32.500 -0.008 0.000 0.713 173 K HN 0.227 nan 8.250 nan 0.000 0.442 174 Q N -0.268 119.454 119.800 -0.130 0.000 2.245 174 Q HA 0.031 4.371 4.340 0.000 0.000 0.201 174 Q C 0.034 175.913 176.000 -0.202 0.000 0.955 174 Q CA 0.556 56.262 55.803 -0.160 0.000 0.870 174 Q CB 0.319 28.939 28.738 -0.195 0.000 0.945 174 Q HN 0.338 nan 8.270 nan 0.000 0.461 175 N N 1.275 119.813 118.700 -0.269 0.000 3.012 175 N HA 0.134 4.874 4.740 0.000 0.000 0.270 175 N C -2.240 173.211 175.510 -0.099 0.000 1.469 175 N CA -0.918 52.001 53.050 -0.219 0.000 0.928 175 N CB 1.239 39.509 38.487 -0.361 0.000 1.219 175 N HN 0.136 nan 8.380 nan 0.000 0.492 176 P HA -0.032 nan 4.420 nan 0.000 0.229 176 P C 0.373 177.665 177.300 -0.014 0.000 1.160 176 P CA 0.956 64.040 63.100 -0.027 0.000 0.777 176 P CB 0.579 32.264 31.700 -0.026 0.000 0.814 177 D N -0.217 120.172 120.400 -0.019 0.000 2.333 177 D HA 0.081 4.721 4.640 0.000 0.000 0.208 177 D C 1.000 177.309 176.300 0.016 0.000 0.984 177 D CA 0.367 54.364 54.000 -0.004 0.000 0.873 177 D CB 0.388 41.184 40.800 -0.008 0.000 0.935 177 D HN 0.289 nan 8.370 nan 0.000 0.521 178 I N 1.797 122.380 120.570 0.023 0.000 2.352 178 I HA 0.062 4.232 4.170 0.000 0.000 0.290 178 I C 0.020 176.185 176.117 0.079 0.000 1.036 178 I CA -0.479 60.864 61.300 0.071 0.000 1.336 178 I CB 1.906 39.975 38.000 0.116 0.000 1.407 178 I HN -0.289 nan 8.210 nan 0.000 0.497 179 V N 8.814 128.774 119.914 0.076 0.000 2.394 179 V HA 0.475 4.595 4.120 0.000 0.000 0.282 179 V C -0.164 175.994 176.094 0.106 0.000 1.031 179 V CA -0.319 62.024 62.300 0.071 0.000 0.881 179 V CB 1.300 33.139 31.823 0.027 0.000 0.982 179 V HN 0.505 nan 8.190 nan 0.000 0.451 180 I N 7.918 128.557 120.570 0.115 0.000 2.362 180 I HA 0.395 4.566 4.170 0.000 0.000 0.289 180 I C -1.243 174.984 176.117 0.183 0.000 0.994 180 I CA -0.668 60.707 61.300 0.126 0.000 1.158 180 I CB 1.548 39.589 38.000 0.067 0.000 1.315 180 I HN 0.724 nan 8.210 nan 0.000 0.451 181 Y N 6.486 126.837 120.300 0.084 0.000 2.376 181 Y HA 0.399 4.949 4.550 0.000 0.000 0.340 181 Y C -0.349 175.666 175.900 0.191 0.000 0.965 181 Y CA -0.707 57.451 58.100 0.097 0.000 1.078 181 Y CB 1.613 40.099 38.460 0.044 0.000 1.193 181 Y HN 0.550 nan 8.280 nan 0.000 0.452 182 Q N 4.864 124.354 119.800 -0.517 0.000 2.230 182 Q HA 0.396 4.736 4.340 0.000 0.000 0.253 182 Q C -2.203 173.431 176.000 -0.610 0.000 0.919 182 Q CA -0.695 54.877 55.803 -0.386 0.000 0.908 182 Q CB 1.252 29.860 28.738 -0.217 0.000 1.245 182 Q HN 0.764 nan 8.270 nan 0.000 0.437 183 Y N 6.117 126.283 120.300 -0.223 0.000 2.330 183 Y HA 0.267 4.817 4.550 0.000 0.000 0.324 183 Y C -0.263 175.687 175.900 0.084 0.000 1.093 183 Y CA -0.670 57.385 58.100 -0.075 0.000 1.103 183 Y CB 0.838 39.377 38.460 0.133 0.000 1.183 183 Y HN 0.909 nan 8.280 nan 0.000 0.433 184 M N 1.533 120.838 119.600 -0.493 0.000 7.319 184 M HA -0.395 4.085 4.480 0.000 0.000 0.329 184 M C 0.487 176.840 176.300 0.089 0.000 0.480 184 M CA 2.219 57.410 55.300 -0.181 0.000 1.311 184 M CB -1.415 31.154 32.600 -0.051 0.000 0.421 184 M HN 0.759 nan 8.290 nan 0.000 0.888 185 D N 0.927 121.426 120.400 0.166 0.000 2.363 185 D HA 0.119 4.759 4.640 0.000 0.000 0.226 185 D C -0.167 176.105 176.300 -0.046 0.000 1.020 185 D CA 0.708 54.734 54.000 0.043 0.000 0.892 185 D CB -0.123 40.708 40.800 0.052 0.000 0.900 185 D HN 0.313 nan 8.370 nan 0.000 0.531 186 D N 0.319 120.762 120.400 0.072 0.000 2.278 186 D HA 0.284 4.924 4.640 0.000 0.000 0.245 186 D C -0.516 175.751 176.300 -0.055 0.000 1.052 186 D CA -0.572 53.426 54.000 -0.002 0.000 0.834 186 D CB 2.027 42.913 40.800 0.145 0.000 1.194 186 D HN -0.147 nan 8.370 nan 0.000 0.481 187 L N 3.283 124.406 121.223 -0.167 0.000 2.280 187 L HA 0.312 4.652 4.340 0.000 0.000 0.287 187 L C -1.163 175.613 176.870 -0.157 0.000 1.023 187 L CA -0.534 54.241 54.840 -0.107 0.000 0.819 187 L CB 0.401 42.387 42.059 -0.122 0.000 1.212 187 L HN 0.275 nan 8.230 nan 0.000 0.420 188 Y N 3.647 124.005 120.300 0.098 0.000 2.326 188 Y HA 0.570 5.120 4.550 0.000 0.000 0.337 188 Y C -0.054 175.913 175.900 0.113 0.000 1.023 188 Y CA -0.540 57.645 58.100 0.142 0.000 1.143 188 Y CB 1.487 40.084 38.460 0.227 0.000 1.183 188 Y HN 0.204 nan 8.280 nan 0.000 0.485 189 V N 3.068 123.106 119.914 0.207 0.000 2.443 189 V HA 0.706 4.827 4.120 0.000 0.000 0.293 189 V C 0.075 176.290 176.094 0.202 0.000 1.021 189 V CA -0.861 61.528 62.300 0.148 0.000 0.848 189 V CB 1.576 33.426 31.823 0.046 0.000 0.998 189 V HN 0.918 nan 8.190 nan 0.000 0.424 190 G N 2.534 111.440 108.800 0.177 0.000 2.461 190 G HA2 0.717 4.677 3.960 0.000 0.000 0.323 190 G HA3 0.717 4.677 3.960 0.000 0.000 0.323 190 G C -0.501 174.503 174.900 0.174 0.000 1.229 190 G CA -0.325 44.878 45.100 0.171 0.000 0.941 190 G HN 0.920 nan 8.290 nan 0.000 0.477 191 S N 0.183 116.014 115.700 0.219 0.000 2.570 191 S HA 0.484 4.954 4.470 0.000 0.000 0.286 191 S C -0.591 174.062 174.600 0.088 0.000 1.099 191 S CA -0.806 57.511 58.200 0.194 0.000 0.913 191 S CB 2.505 65.935 63.200 0.383 0.000 1.085 191 S HN 0.341 nan 8.310 nan 0.000 0.480 192 D N 1.454 121.888 120.400 0.057 0.000 2.342 192 D HA 0.249 4.890 4.640 0.000 0.000 0.221 192 D C 0.464 176.784 176.300 0.033 0.000 1.101 192 D CA 0.042 54.056 54.000 0.022 0.000 0.837 192 D CB 0.030 40.833 40.800 0.005 0.000 0.938 192 D HN 0.483 nan 8.370 nan 0.000 0.508 193 L N 1.501 122.768 121.223 0.074 0.000 2.482 193 L HA 0.038 4.378 4.340 0.000 0.000 0.273 193 L C 1.063 177.969 176.870 0.059 0.000 1.228 193 L CA -0.149 54.738 54.840 0.078 0.000 0.827 193 L CB 0.201 42.340 42.059 0.132 0.000 1.099 193 L HN 0.033 nan 8.230 nan 0.000 0.494 194 E N 1.360 121.588 120.200 0.047 0.000 2.338 194 E HA 0.331 4.681 4.350 0.000 0.000 0.272 194 E C -0.349 176.289 176.600 0.063 0.000 1.029 194 E CA -0.666 55.754 56.400 0.033 0.000 0.872 194 E CB 0.642 30.354 29.700 0.020 0.000 1.015 194 E HN 0.315 nan 8.360 nan 0.000 0.417 195 I N 2.740 123.340 120.570 0.050 0.000 3.110 195 I HA -0.078 4.092 4.170 0.000 0.000 0.305 195 I C 1.645 177.812 176.117 0.083 0.000 1.232 195 I CA 1.622 62.970 61.300 0.080 0.000 1.431 195 I CB -0.306 37.731 38.000 0.061 0.000 1.320 195 I HN 1.028 nan 8.210 nan 0.000 0.583 196 G N 2.970 111.830 108.800 0.100 0.000 2.527 196 G HA2 -0.284 3.676 3.960 0.000 0.000 0.218 196 G HA3 -0.284 3.676 3.960 0.000 0.000 0.218 196 G C 0.880 175.815 174.900 0.059 0.000 1.177 196 G CA 0.417 45.553 45.100 0.062 0.000 0.695 196 G HN 0.627 nan 8.290 nan 0.000 0.517 197 Q N -0.616 119.227 119.800 0.072 0.000 2.123 197 Q HA 0.085 4.425 4.340 0.000 0.000 0.196 197 Q C 2.009 178.058 176.000 0.081 0.000 0.958 197 Q CA 1.274 57.114 55.803 0.061 0.000 0.841 197 Q CB -0.134 28.635 28.738 0.053 0.000 0.915 197 Q HN 0.819 nan 8.270 nan 0.000 0.455 198 H N 1.407 120.493 119.070 0.026 0.000 2.265 198 H HA -0.117 4.439 4.556 0.000 0.000 0.293 198 H C 1.962 177.304 175.328 0.025 0.000 1.089 198 H CA 2.032 58.100 56.048 0.034 0.000 1.244 198 H CB 0.176 29.960 29.762 0.038 0.000 1.355 198 H HN 0.007 nan 8.280 nan 0.000 0.485 199 R N -0.700 119.856 120.500 0.092 0.000 2.139 199 R HA -0.112 4.229 4.340 0.000 0.000 0.243 199 R C 2.163 178.425 176.300 -0.062 0.000 1.145 199 R CA 1.708 57.801 56.100 -0.011 0.000 0.976 199 R CB -0.421 29.898 30.300 0.032 0.000 0.866 199 R HN 0.458 nan 8.270 nan 0.000 0.449 200 T N 0.854 115.395 114.554 -0.023 0.000 2.942 200 T HA -0.008 4.342 4.350 0.000 0.000 0.265 200 T C 1.718 176.417 174.700 -0.002 0.000 1.062 200 T CA 0.621 62.715 62.100 -0.010 0.000 1.139 200 T CB 0.070 68.944 68.868 0.010 0.000 0.883 200 T HN 0.033 nan 8.240 nan 0.000 0.468 201 K N 1.076 121.465 120.400 -0.018 0.000 2.148 201 K HA 0.073 4.393 4.320 0.000 0.000 0.204 201 K C 2.027 178.641 176.600 0.024 0.000 1.050 201 K CA 0.660 56.971 56.287 0.041 0.000 0.942 201 K CB -0.355 32.154 32.500 0.014 0.000 0.724 201 K HN 0.297 nan 8.250 nan 0.000 0.446 202 I N 0.776 121.266 120.570 -0.134 0.000 2.439 202 I HA -0.164 4.006 4.170 0.000 0.000 0.251 202 I C 2.080 178.137 176.117 -0.099 0.000 1.139 202 I CA 1.088 62.293 61.300 -0.159 0.000 1.438 202 I CB -0.799 37.068 38.000 -0.222 0.000 1.085 202 I HN 0.129 nan 8.210 nan 0.000 0.427 203 E N 0.988 121.150 120.200 -0.064 0.000 2.299 203 E HA -0.178 4.172 4.350 0.000 0.000 0.193 203 E C 2.032 178.642 176.600 0.017 0.000 0.998 203 E CA 0.770 57.148 56.400 -0.036 0.000 0.851 203 E CB 0.000 29.679 29.700 -0.035 0.000 0.795 203 E HN 0.482 nan 8.360 nan 0.000 0.492 204 E N -0.058 120.183 120.200 0.068 0.000 2.046 204 E HA -0.113 4.237 4.350 0.000 0.000 0.190 204 E C 2.048 178.769 176.600 0.202 0.000 0.982 204 E CA 0.723 57.232 56.400 0.181 0.000 0.800 204 E CB -0.170 29.687 29.700 0.262 0.000 0.756 204 E HN 0.359 nan 8.360 nan 0.000 0.449 205 L N 0.770 121.983 121.223 -0.018 0.000 2.131 205 L HA -0.157 4.184 4.340 0.000 0.000 0.210 205 L C 2.672 179.432 176.870 -0.183 0.000 1.092 205 L CA 1.211 55.751 54.840 -0.501 0.000 0.759 205 L CB -0.127 41.465 42.059 -0.780 0.000 0.903 205 L HN 0.097 nan 8.230 nan 0.000 0.435 206 R N -0.539 119.912 120.500 -0.081 0.000 2.235 206 R HA -0.135 4.205 4.340 0.000 0.000 0.213 206 R C 2.147 178.467 176.300 0.034 0.000 1.059 206 R CA 0.961 57.041 56.100 -0.032 0.000 0.997 206 R CB 0.050 30.328 30.300 -0.036 0.000 0.884 206 R HN 0.465 nan 8.270 nan 0.000 0.462 207 Q N -1.433 118.412 119.800 0.076 0.000 2.187 207 Q HA -0.084 4.256 4.340 0.000 0.000 0.199 207 Q C 1.560 177.639 176.000 0.132 0.000 0.957 207 Q CA 0.923 56.780 55.803 0.091 0.000 0.857 207 Q CB 0.068 28.863 28.738 0.095 0.000 0.929 207 Q HN 0.545 nan 8.270 nan 0.000 0.453 208 H N 0.364 119.508 119.070 0.125 0.000 2.299 208 H HA -0.023 4.533 4.556 0.000 0.000 0.302 208 H C 1.746 177.264 175.328 0.316 0.000 1.078 208 H CA 1.041 57.250 56.048 0.269 0.000 1.323 208 H CB 0.166 30.078 29.762 0.250 0.000 1.381 208 H HN 0.200 nan 8.280 nan 0.000 0.498 209 L N 1.108 122.482 121.223 0.252 0.000 2.700 209 L HA -0.088 4.252 4.340 0.000 0.000 0.240 209 L C 2.031 178.992 176.870 0.152 0.000 1.162 209 L CA 0.190 55.126 54.840 0.160 0.000 0.874 209 L CB 0.021 42.085 42.059 0.008 0.000 1.001 209 L HN 0.254 nan 8.230 nan 0.000 0.447 210 L N -1.260 120.055 121.223 0.152 0.000 2.577 210 L HA 0.092 4.432 4.340 0.000 0.000 0.225 210 L C 2.259 179.174 176.870 0.076 0.000 1.053 210 L CA 0.220 55.114 54.840 0.090 0.000 0.866 210 L CB 0.158 42.243 42.059 0.043 0.000 1.132 210 L HN 0.142 nan 8.230 nan 0.000 0.486 211 R N -0.721 119.817 120.500 0.063 0.000 2.339 211 R HA -0.111 4.229 4.340 0.000 0.000 0.199 211 R C 1.235 177.414 176.300 -0.201 0.000 1.018 211 R CA 0.835 56.858 56.100 -0.129 0.000 1.036 211 R CB 0.111 30.221 30.300 -0.317 0.000 0.899 211 R HN 0.491 nan 8.270 nan 0.000 0.473 212 W N 0.140 121.445 121.300 0.009 0.000 2.865 212 W HA 0.241 4.901 4.660 0.000 0.000 0.300 212 W C 0.620 177.161 176.519 0.036 0.000 1.096 212 W CA 0.664 58.029 57.345 0.033 0.000 1.524 212 W CB 0.598 30.093 29.460 0.058 0.000 0.991 212 W HN 0.159 nan 8.180 nan 0.000 0.571 213 G N 2.277 111.212 108.800 0.225 0.000 2.860 213 G HA2 -0.189 3.772 3.960 0.000 0.000 0.553 213 G HA3 -0.189 3.772 3.960 0.000 0.000 0.553 213 G C -1.438 173.529 174.900 0.110 0.000 1.439 213 G CA -0.319 44.860 45.100 0.131 0.000 0.879 213 G HN 0.276 nan 8.290 nan 0.000 0.545 214 L N 1.400 122.652 121.223 0.048 0.000 2.487 214 L HA 0.623 4.963 4.340 0.000 0.000 0.261 214 L C 0.857 177.738 176.870 0.018 0.000 1.223 214 L CA 1.185 56.052 54.840 0.046 0.000 0.883 214 L CB 1.006 43.108 42.059 0.070 0.000 1.065 214 L HN 1.608 nan 8.230 nan 0.000 0.488 215 T N -0.871 113.676 114.554 -0.012 0.000 3.426 215 T HA 0.942 5.292 4.350 0.000 0.000 0.195 215 T C 0.662 175.338 174.700 -0.039 0.000 0.963 215 T CA 0.834 62.930 62.100 -0.006 0.000 1.154 215 T CB 0.612 69.482 68.868 0.004 0.000 1.377 215 T HN 0.881 nan 8.240 nan 0.000 0.342 231 G N 1.190 109.484 108.800 -0.843 0.000 2.526 231 G HA2 -0.111 3.849 3.960 0.000 0.000 0.225 231 G HA3 -0.111 3.849 3.960 0.000 0.000 0.225 231 G C -1.526 173.220 174.900 -0.256 0.000 1.120 231 G CA -0.794 44.061 45.100 -0.408 0.000 0.904 231 G HN 0.633 nan 8.290 nan 0.000 0.498 232 Y N -0.194 120.103 120.300 -0.006 0.000 2.313 232 Y HA 0.574 5.124 4.550 0.000 0.000 0.332 232 Y C 1.040 176.945 175.900 0.009 0.000 1.071 232 Y CA -0.739 57.365 58.100 0.007 0.000 1.169 232 Y CB 1.519 39.984 38.460 0.009 0.000 1.192 232 Y HN 0.533 nan 8.280 nan 0.000 0.487 233 E N 1.188 121.480 120.200 0.153 0.000 2.371 233 E HA -0.081 4.269 4.350 0.000 0.000 0.259 233 E C -2.012 174.462 176.600 -0.209 0.000 1.156 233 E CA -0.054 56.320 56.400 -0.042 0.000 0.783 233 E CB -1.294 28.435 29.700 0.049 0.000 1.213 233 E HN 0.477 nan 8.360 nan 0.000 0.428 234 L N 2.240 123.359 121.223 -0.173 0.000 2.418 234 L HA 0.435 4.775 4.340 0.000 0.000 0.265 234 L C 0.532 177.074 176.870 -0.546 0.000 1.143 234 L CA 0.198 54.967 54.840 -0.118 0.000 0.809 234 L CB 0.670 42.816 42.059 0.144 0.000 1.124 234 L HN 0.279 nan 8.230 nan 0.000 0.456 235 H N 1.984 121.010 119.070 -0.073 0.000 2.917 235 H HA 0.218 4.774 4.556 0.000 0.000 0.279 235 H C -1.976 172.866 175.328 -0.810 0.000 1.211 235 H CA -1.526 54.344 56.048 -0.298 0.000 1.534 235 H CB 1.252 30.912 29.762 -0.171 0.000 1.581 235 H HN 0.383 nan 8.280 nan 0.000 0.510 236 P HA -0.113 nan 4.420 nan 0.000 0.226 236 P C 0.954 177.682 177.300 -0.953 0.000 1.146 236 P CA 1.154 63.303 63.100 -1.586 0.000 0.773 236 P CB 0.527 31.707 31.700 -0.866 0.000 0.772 237 D N -1.582 118.505 120.400 -0.523 0.000 2.369 237 D HA 0.078 4.718 4.640 0.000 0.000 0.211 237 D C 1.098 177.308 176.300 -0.150 0.000 1.077 237 D CA 0.290 54.136 54.000 -0.256 0.000 0.842 237 D CB 0.314 41.015 40.800 -0.165 0.000 0.947 237 D HN 0.199 nan 8.370 nan 0.000 0.509 238 K N -0.267 120.033 120.400 -0.167 0.000 2.374 238 K HA 0.063 4.383 4.320 0.000 0.000 0.196 238 K C 0.252 176.986 176.600 0.223 0.000 1.023 238 K CA -0.271 56.028 56.287 0.019 0.000 1.103 238 K CB 0.730 33.261 32.500 0.050 0.000 0.848 238 K HN -0.044 nan 8.250 nan 0.000 0.528 239 W N 1.043 122.379 121.300 0.060 0.000 2.215 239 W HA 0.361 5.021 4.660 0.000 0.000 0.342 239 W C 0.648 177.198 176.519 0.053 0.000 1.237 239 W CA -0.554 56.832 57.345 0.068 0.000 1.283 239 W CB 0.660 30.155 29.460 0.058 0.000 1.131 239 W HN -0.260 nan 8.180 nan 0.000 0.606 240 T N -0.287 114.447 114.554 0.299 0.000 2.786 240 T HA 0.438 4.788 4.350 0.000 0.000 0.316 240 T C -1.231 173.546 174.700 0.129 0.000 1.503 240 T CA -0.646 61.561 62.100 0.178 0.000 1.019 240 T CB 0.786 69.734 68.868 0.133 0.000 1.415 240 T HN 0.422 nan 8.240 nan 0.000 0.496 241 V N 1.766 121.739 119.914 0.099 0.000 2.743 241 V HA 0.853 4.973 4.120 0.000 0.000 0.301 241 V C -0.298 175.832 176.094 0.060 0.000 1.057 241 V CA -0.608 61.734 62.300 0.069 0.000 1.006 241 V CB 1.420 33.294 31.823 0.086 0.000 1.024 241 V HN 0.851 nan 8.190 nan 0.000 0.473 242 Q N 5.312 125.135 119.800 0.038 0.000 2.372 242 Q HA 0.562 4.903 4.340 0.000 0.000 0.259 242 Q C -2.505 173.573 176.000 0.130 0.000 0.993 242 Q CA -2.021 53.822 55.803 0.066 0.000 0.854 242 Q CB 1.482 30.237 28.738 0.029 0.000 1.231 242 Q HN 0.805 nan 8.270 nan 0.000 0.462 243 P HA 0.158 nan 4.420 nan 0.000 0.274 243 P C -0.291 177.121 177.300 0.187 0.000 1.237 243 P CA -0.217 62.978 63.100 0.159 0.000 0.793 243 P CB 0.932 32.692 31.700 0.100 0.000 0.977 244 I N 0.558 121.249 120.570 0.201 0.000 2.634 244 I HA 0.186 4.356 4.170 0.000 0.000 0.284 244 I C 0.762 176.926 176.117 0.079 0.000 1.124 244 I CA -0.140 61.260 61.300 0.167 0.000 1.417 244 I CB 0.956 39.053 38.000 0.162 0.000 1.396 244 I HN 0.096 nan 8.210 nan 0.000 0.571 245 V N 7.409 127.376 119.914 0.088 0.000 2.925 245 V HA 0.532 4.652 4.120 0.000 0.000 0.311 245 V C -0.903 175.235 176.094 0.073 0.000 1.104 245 V CA -0.585 61.753 62.300 0.064 0.000 0.954 245 V CB 2.388 34.253 31.823 0.070 0.000 1.022 245 V HN 0.502 nan 8.190 nan 0.000 0.427 246 L N 7.073 128.336 121.223 0.068 0.000 2.329 246 L HA 0.618 4.958 4.340 0.000 0.000 0.279 246 L C -2.193 174.755 176.870 0.131 0.000 1.014 246 L CA -1.762 53.141 54.840 0.106 0.000 0.814 246 L CB 2.326 44.441 42.059 0.093 0.000 1.257 246 L HN 0.540 nan 8.230 nan 0.000 0.424 247 P HA 0.106 nan 4.420 nan 0.000 0.272 247 P C -1.261 176.142 177.300 0.172 0.000 1.223 247 P CA -0.328 62.831 63.100 0.099 0.000 0.784 247 P CB 0.671 32.370 31.700 -0.002 0.000 0.923 248 E N 2.397 122.643 120.200 0.077 0.000 2.191 248 E HA 0.491 4.841 4.350 0.000 0.000 0.278 248 E C -0.367 176.226 176.600 -0.011 0.000 0.972 248 E CA -0.774 55.701 56.400 0.124 0.000 0.804 248 E CB 1.936 31.685 29.700 0.082 0.000 1.110 248 E HN 0.420 nan 8.360 nan 0.000 0.394 249 K N 1.706 122.148 120.400 0.070 0.000 2.542 249 K HA 0.208 4.528 4.320 0.000 0.000 0.259 249 K C -0.384 176.267 176.600 0.085 0.000 0.932 249 K CA -0.665 55.501 56.287 -0.202 0.000 0.820 249 K CB 2.142 33.951 32.500 -1.150 0.000 1.345 249 K HN 0.353 nan 8.250 nan 0.000 0.432 250 D N 0.400 120.798 120.400 -0.004 0.000 2.201 250 D HA -0.052 4.588 4.640 0.000 0.000 0.209 250 D C 0.431 176.807 176.300 0.126 0.000 0.961 250 D CA 1.139 55.187 54.000 0.080 0.000 0.861 250 D CB 0.468 41.284 40.800 0.027 0.000 0.997 250 D HN 0.507 nan 8.370 nan 0.000 0.486 251 S N -0.454 115.270 115.700 0.039 0.000 2.500 251 S HA 0.513 4.984 4.470 0.000 0.000 0.301 251 S C -1.206 173.406 174.600 0.019 0.000 1.092 251 S CA -0.927 57.333 58.200 0.100 0.000 1.030 251 S CB 1.481 64.707 63.200 0.043 0.000 1.031 251 S HN 0.061 nan 8.310 nan 0.000 0.483 252 W N 1.705 123.005 121.300 0.000 0.000 2.573 252 W HA 0.593 5.254 4.660 0.000 0.000 0.326 252 W C 0.571 177.091 176.519 0.002 0.000 1.049 252 W CA -0.405 56.941 57.345 0.001 0.000 1.220 252 W CB 1.943 31.404 29.460 0.001 0.000 1.373 252 W HN 0.886 nan 8.180 nan 0.000 0.507 253 T N -1.701 112.951 114.554 0.164 0.000 2.944 253 T HA 0.330 4.680 4.350 0.000 0.000 0.284 253 T C 0.880 175.658 174.700 0.130 0.000 1.010 253 T CA -0.738 61.428 62.100 0.111 0.000 1.025 253 T CB 1.233 70.128 68.868 0.046 0.000 1.079 253 T HN 0.214 nan 8.240 nan 0.000 0.516 254 V N 1.798 121.765 119.914 0.089 0.000 2.277 254 V HA -0.280 3.841 4.120 0.000 0.000 0.253 254 V C 2.910 179.055 176.094 0.085 0.000 1.067 254 V CA 2.509 64.856 62.300 0.078 0.000 1.047 254 V CB -1.157 30.697 31.823 0.051 0.000 0.649 254 V HN 1.032 nan 8.190 nan 0.000 0.447 255 N N -0.281 118.460 118.700 0.068 0.000 2.120 255 N HA -0.211 4.529 4.740 0.000 0.000 0.188 255 N C 1.586 177.149 175.510 0.088 0.000 1.024 255 N CA 1.799 54.886 53.050 0.061 0.000 0.852 255 N CB -0.142 38.364 38.487 0.032 0.000 1.003 255 N HN 0.513 nan 8.380 nan 0.000 0.424 256 D N 1.160 121.623 120.400 0.105 0.000 2.087 256 D HA -0.137 4.503 4.640 0.000 0.000 0.192 256 D C 2.120 178.605 176.300 0.309 0.000 0.993 256 D CA 0.962 55.056 54.000 0.157 0.000 0.828 256 D CB -0.374 40.501 40.800 0.126 0.000 0.968 256 D HN 0.391 nan 8.370 nan 0.000 0.448 257 I N 0.764 121.528 120.570 0.324 0.000 2.286 257 I HA -0.268 3.902 4.170 0.000 0.000 0.248 257 I C 2.543 178.743 176.117 0.139 0.000 1.115 257 I CA 0.989 62.423 61.300 0.225 0.000 1.392 257 I CB -0.251 37.824 38.000 0.125 0.000 1.065 257 I HN 0.014 nan 8.210 nan 0.000 0.418 258 Q N 0.683 120.554 119.800 0.118 0.000 2.084 258 Q HA -0.214 4.126 4.340 0.000 0.000 0.202 258 Q C 2.219 178.289 176.000 0.116 0.000 0.978 258 Q CA 1.471 57.330 55.803 0.093 0.000 0.844 258 Q CB 0.021 28.805 28.738 0.075 0.000 0.898 258 Q HN 0.453 nan 8.270 nan 0.000 0.426 259 K N 0.143 120.624 120.400 0.135 0.000 2.103 259 K HA -0.127 4.193 4.320 0.000 0.000 0.204 259 K C 2.048 178.764 176.600 0.193 0.000 1.052 259 K CA 0.637 57.022 56.287 0.164 0.000 0.945 259 K CB -0.110 32.467 32.500 0.128 0.000 0.722 259 K HN 0.080 nan 8.250 nan 0.000 0.443 260 L N 1.022 122.365 121.223 0.200 0.000 2.012 260 L HA -0.178 4.162 4.340 0.000 0.000 0.210 260 L C 1.955 178.876 176.870 0.086 0.000 1.073 260 L CA 1.571 56.523 54.840 0.186 0.000 0.748 260 L CB -0.294 41.910 42.059 0.242 0.000 0.891 260 L HN -0.111 nan 8.230 nan 0.000 0.431 261 V N -0.063 119.889 119.914 0.062 0.000 2.626 261 V HA -0.134 3.986 4.120 0.000 0.000 0.252 261 V C 2.497 178.587 176.094 -0.007 0.000 1.067 261 V CA 1.521 63.828 62.300 0.011 0.000 1.081 261 V CB -1.253 30.576 31.823 0.011 0.000 0.686 261 V HN 0.650 nan 8.190 nan 0.000 0.468 262 G N -0.546 108.278 108.800 0.039 0.000 2.394 262 G HA2 -0.230 3.730 3.960 0.000 0.000 0.215 262 G HA3 -0.230 3.730 3.960 0.000 0.000 0.215 262 G C 1.613 176.336 174.900 -0.294 0.000 1.165 262 G CA 0.778 45.886 45.100 0.014 0.000 0.784 262 G HN 0.457 nan 8.290 nan 0.000 0.535 263 K N -0.075 120.210 120.400 -0.192 0.000 2.063 263 K HA 0.021 4.342 4.320 0.000 0.000 0.208 263 K C 2.455 178.853 176.600 -0.338 0.000 1.048 263 K CA 0.988 57.007 56.287 -0.447 0.000 0.928 263 K CB -0.238 32.325 32.500 0.106 0.000 0.713 263 K HN 0.325 nan 8.250 nan 0.000 0.442 264 L N 0.513 121.644 121.223 -0.153 0.000 2.109 264 L HA -0.125 4.215 4.340 0.000 0.000 0.207 264 L C 2.258 179.046 176.870 -0.137 0.000 1.086 264 L CA 0.869 55.643 54.840 -0.109 0.000 0.760 264 L CB -0.513 41.500 42.059 -0.076 0.000 0.910 264 L HN 0.274 nan 8.230 nan 0.000 0.437 265 N N -0.229 118.384 118.700 -0.145 0.000 2.205 265 N HA -0.272 4.468 4.740 0.000 0.000 0.186 265 N C 1.621 177.039 175.510 -0.152 0.000 1.015 265 N CA 1.500 54.475 53.050 -0.126 0.000 0.862 265 N CB -0.180 38.255 38.487 -0.088 0.000 0.986 265 N HN 0.432 nan 8.380 nan 0.000 0.429 266 W N 0.640 121.657 121.300 -0.472 0.000 2.480 266 W HA 0.253 4.914 4.660 0.000 0.000 0.299 266 W C 2.137 178.390 176.519 -0.443 0.000 1.187 266 W CA 1.341 58.371 57.345 -0.525 0.000 1.347 266 W CB -0.601 28.311 29.460 -0.913 0.000 1.121 266 W HN 0.059 nan 8.180 nan 0.000 0.533 267 A N 0.430 123.160 122.820 -0.150 0.000 2.131 267 A HA -0.234 4.086 4.320 0.000 0.000 0.220 267 A C 1.988 179.413 177.584 -0.265 0.000 1.158 267 A CA 2.249 54.153 52.037 -0.221 0.000 0.665 267 A CB -1.370 17.638 19.000 0.013 0.000 0.795 267 A HN 0.434 nan 8.150 nan 0.000 0.460 268 S N -0.838 114.690 115.700 -0.286 0.000 2.489 268 S HA -0.122 4.349 4.470 0.000 0.000 0.228 268 S C 1.660 176.046 174.600 -0.357 0.000 0.995 268 S CA 0.897 58.959 58.200 -0.230 0.000 0.934 268 S CB -0.349 62.742 63.200 -0.183 0.000 0.771 268 S HN 0.716 nan 8.310 nan 0.000 0.522 269 Q N 0.379 119.798 119.800 -0.634 0.000 2.311 269 Q HA 0.182 4.522 4.340 0.000 0.000 0.203 269 Q C 1.819 177.345 176.000 -0.791 0.000 0.954 269 Q CA 1.085 56.354 55.803 -0.891 0.000 0.885 269 Q CB -0.246 27.492 28.738 -1.666 0.000 0.963 269 Q HN 0.636 nan 8.270 nan 0.000 0.471 270 I N -0.987 119.198 120.570 -0.641 0.000 2.364 270 I HA -0.115 4.055 4.170 0.000 0.000 0.241 270 I C 0.089 175.946 176.117 -0.433 0.000 1.082 270 I CA 0.494 61.529 61.300 -0.440 0.000 1.401 270 I CB 0.217 37.995 38.000 -0.370 0.000 1.126 270 I HN 0.034 nan 8.210 nan 0.000 0.429 271 Y N 1.579 121.759 120.300 -0.200 0.000 2.504 271 Y HA 0.281 4.831 4.550 0.000 0.000 0.339 271 Y C -1.882 173.929 175.900 -0.150 0.000 0.974 271 Y CA -2.748 55.275 58.100 -0.128 0.000 1.232 271 Y CB -0.132 38.273 38.460 -0.091 0.000 1.108 271 Y HN -0.004 nan 8.280 nan 0.000 0.509 272 P HA -0.074 nan 4.420 nan 0.000 0.234 272 P C 1.521 178.796 177.300 -0.042 0.000 1.167 272 P CA 1.057 64.113 63.100 -0.073 0.000 0.763 272 P CB 0.388 32.038 31.700 -0.084 0.000 0.835 273 G N -0.536 108.265 108.800 0.002 0.000 2.534 273 G HA2 -0.071 3.889 3.960 0.000 0.000 0.217 273 G HA3 -0.071 3.889 3.960 0.000 0.000 0.217 273 G C 0.669 175.551 174.900 -0.030 0.000 1.128 273 G CA -0.039 45.054 45.100 -0.010 0.000 0.784 273 G HN 0.164 nan 8.290 nan 0.000 0.542 274 I N 1.495 122.045 120.570 -0.033 0.000 2.710 274 I HA 0.144 4.314 4.170 0.000 0.000 0.286 274 I C 0.279 176.355 176.117 -0.068 0.000 1.181 274 I CA 0.351 61.614 61.300 -0.061 0.000 1.430 274 I CB 0.534 38.490 38.000 -0.074 0.000 1.367 274 I HN 0.293 nan 8.210 nan 0.000 0.577 275 K N 4.790 125.150 120.400 -0.068 0.000 2.375 275 K HA 0.619 4.939 4.320 0.000 0.000 0.249 275 K C -0.364 176.194 176.600 -0.069 0.000 0.942 275 K CA -0.799 55.449 56.287 -0.065 0.000 0.806 275 K CB 2.744 35.209 32.500 -0.058 0.000 1.227 275 K HN 0.223 nan 8.250 nan 0.000 0.430 276 V N 1.363 121.238 119.914 -0.065 0.000 3.431 276 V HA -0.013 4.107 4.120 0.000 0.000 0.255 276 V C 1.776 177.835 176.094 -0.059 0.000 1.403 276 V CA 0.254 62.516 62.300 -0.064 0.000 1.101 276 V CB 0.114 31.901 31.823 -0.060 0.000 0.891 276 V HN 0.791 nan 8.190 nan 0.000 0.446 277 R N 0.573 121.042 120.500 -0.052 0.000 2.227 277 R HA -0.282 4.058 4.340 0.000 0.000 0.246 277 R C 2.082 178.353 176.300 -0.048 0.000 1.119 277 R CA 2.448 58.521 56.100 -0.045 0.000 0.930 277 R CB -0.976 29.299 30.300 -0.042 0.000 0.912 277 R HN 0.501 nan 8.270 nan 0.000 0.435 278 Q N 0.190 119.957 119.800 -0.056 0.000 2.124 278 Q HA -0.071 4.269 4.340 0.000 0.000 0.202 278 Q C 2.428 178.385 176.000 -0.071 0.000 0.977 278 Q CA 1.122 56.889 55.803 -0.060 0.000 0.850 278 Q CB -0.229 28.469 28.738 -0.066 0.000 0.901 278 Q HN 0.393 nan 8.270 nan 0.000 0.429 279 L N 0.221 121.394 121.223 -0.084 0.000 2.156 279 L HA -0.126 4.214 4.340 0.000 0.000 0.208 279 L C 2.391 179.222 176.870 -0.064 0.000 1.095 279 L CA 0.838 55.619 54.840 -0.098 0.000 0.770 279 L CB -0.271 41.716 42.059 -0.120 0.000 0.914 279 L HN 0.054 nan 8.230 nan 0.000 0.439 280 S N -0.420 115.251 115.700 -0.048 0.000 2.382 280 S HA -0.224 4.246 4.470 0.000 0.000 0.228 280 S C 1.954 176.538 174.600 -0.025 0.000 1.027 280 S CA 1.214 59.396 58.200 -0.029 0.000 0.991 280 S CB -0.181 63.003 63.200 -0.026 0.000 0.823 280 S HN 0.234 nan 8.310 nan 0.000 0.469 281 K N 1.300 121.680 120.400 -0.032 0.000 2.152 281 K HA 0.014 4.334 4.320 0.000 0.000 0.206 281 K C 1.689 178.275 176.600 -0.023 0.000 1.048 281 K CA 0.885 57.156 56.287 -0.027 0.000 0.933 281 K CB -0.384 32.097 32.500 -0.032 0.000 0.721 281 K HN 0.329 nan 8.250 nan 0.000 0.447 282 L N 0.001 121.206 121.223 -0.030 0.000 2.201 282 L HA -0.104 4.237 4.340 0.000 0.000 0.212 282 L C 1.259 178.126 176.870 -0.005 0.000 1.105 282 L CA 0.689 55.516 54.840 -0.022 0.000 0.775 282 L CB -0.229 41.809 42.059 -0.035 0.000 0.913 282 L HN 0.115 nan 8.230 nan 0.000 0.440 283 L N -0.058 121.162 121.223 -0.004 0.000 2.737 283 L HA 0.141 4.481 4.340 0.000 0.000 0.236 283 L C 0.831 177.704 176.870 0.005 0.000 1.219 283 L CA -0.271 54.573 54.840 0.008 0.000 1.021 283 L CB -0.370 41.696 42.059 0.012 0.000 1.291 283 L HN 0.160 nan 8.230 nan 0.000 0.470 284 R N 0.589 121.089 120.500 0.000 0.000 2.707 284 R HA 0.449 4.789 4.340 0.000 0.000 0.270 284 R C 0.696 176.999 176.300 0.004 0.000 1.083 284 R CA 0.747 56.848 56.100 0.001 0.000 1.182 284 R CB 0.701 30.999 30.300 -0.003 0.000 1.084 284 R HN 0.323 nan 8.270 nan 0.000 0.528 285 G N -0.011 108.791 108.800 0.004 0.000 2.681 285 G HA2 -0.275 3.685 3.960 0.000 0.000 0.220 285 G HA3 -0.275 3.685 3.960 0.000 0.000 0.220 285 G C -0.497 174.408 174.900 0.009 0.000 1.353 285 G CA -0.059 45.045 45.100 0.006 0.000 0.872 285 G HN 0.728 nan 8.290 nan 0.000 0.557 286 T N -1.581 112.979 114.554 0.009 0.000 3.241 286 T HA 0.631 4.981 4.350 0.000 0.000 0.387 286 T C -0.054 174.654 174.700 0.012 0.000 1.451 286 T CA -0.496 61.611 62.100 0.011 0.000 1.363 286 T CB 0.852 69.726 68.868 0.010 0.000 1.074 286 T HN 0.715 nan 8.240 nan 0.000 0.598 287 K N 1.691 122.100 120.400 0.015 0.000 2.098 287 K HA 0.722 5.042 4.320 0.000 0.000 0.257 287 K C 0.557 177.167 176.600 0.017 0.000 0.999 287 K CA -0.781 55.516 56.287 0.016 0.000 0.924 287 K CB 1.167 33.678 32.500 0.020 0.000 1.028 287 K HN 0.630 nan 8.250 nan 0.000 0.466 288 A N 1.638 124.468 122.820 0.016 0.000 2.483 288 A HA 0.010 4.330 4.320 0.000 0.000 0.238 288 A C 1.242 178.837 177.584 0.019 0.000 1.070 288 A CA -0.313 51.733 52.037 0.015 0.000 0.770 288 A CB 0.009 19.016 19.000 0.012 0.000 1.008 288 A HN 0.638 nan 8.150 nan 0.000 0.497 289 L N 2.075 123.309 121.223 0.018 0.000 2.079 289 L HA -0.137 4.203 4.340 0.000 0.000 0.210 289 L C 2.753 179.636 176.870 0.022 0.000 1.081 289 L CA 2.857 57.710 54.840 0.021 0.000 0.752 289 L CB -0.711 41.358 42.059 0.016 0.000 0.896 289 L HN 0.929 nan 8.230 nan 0.000 0.433 290 T N -3.748 110.815 114.554 0.015 0.000 3.129 290 T HA 0.017 4.367 4.350 0.000 0.000 0.251 290 T C 0.757 175.467 174.700 0.017 0.000 1.117 290 T CA -0.331 61.776 62.100 0.012 0.000 1.034 290 T CB -0.417 68.454 68.868 0.004 0.000 0.968 290 T HN 0.345 nan 8.240 nan 0.000 0.526 291 E N 2.416 122.630 120.200 0.022 0.000 2.384 291 E HA 0.241 4.591 4.350 0.000 0.000 0.266 291 E C 0.094 176.718 176.600 0.039 0.000 1.012 291 E CA -0.712 55.704 56.400 0.026 0.000 0.901 291 E CB 0.797 30.512 29.700 0.025 0.000 0.967 291 E HN 0.343 nan 8.360 nan 0.000 0.435 292 V N 3.534 123.471 119.914 0.039 0.000 2.488 292 V HA 0.346 4.466 4.120 0.000 0.000 0.277 292 V C -0.120 176.013 176.094 0.065 0.000 1.046 292 V CA -0.654 61.681 62.300 0.058 0.000 0.986 292 V CB 0.741 32.593 31.823 0.050 0.000 0.989 292 V HN 0.466 nan 8.190 nan 0.000 0.475 293 I N 7.010 127.635 120.570 0.093 0.000 2.355 293 I HA 0.487 4.657 4.170 0.000 0.000 0.288 293 I C -2.158 174.007 176.117 0.081 0.000 0.999 293 I CA -2.567 58.777 61.300 0.073 0.000 1.163 293 I CB 1.489 39.529 38.000 0.066 0.000 1.316 293 I HN 0.562 nan 8.210 nan 0.000 0.454 294 P HA 0.214 nan 4.420 nan 0.000 0.276 294 P C -0.576 176.722 177.300 -0.004 0.000 1.230 294 P CA -0.344 62.778 63.100 0.036 0.000 0.776 294 P CB 1.026 32.741 31.700 0.024 0.000 0.888 295 L N 3.610 124.813 121.223 -0.034 0.000 2.363 295 L HA 0.137 4.477 4.340 0.000 0.000 0.286 295 L C 1.345 178.168 176.870 -0.078 0.000 1.106 295 L CA -0.424 54.353 54.840 -0.106 0.000 0.859 295 L CB -0.224 41.712 42.059 -0.206 0.000 1.223 295 L HN 0.465 nan 8.230 nan 0.000 0.446 296 T N -1.373 113.141 114.554 -0.066 0.000 2.905 296 T HA -0.051 4.299 4.350 0.000 0.000 0.299 296 T C 1.325 175.989 174.700 -0.060 0.000 1.024 296 T CA -0.104 61.965 62.100 -0.051 0.000 1.151 296 T CB 0.633 69.474 68.868 -0.045 0.000 0.987 296 T HN 0.791 nan 8.240 nan 0.000 0.535 297 E N 2.384 122.557 120.200 -0.045 0.000 2.208 297 E HA -0.336 4.014 4.350 0.000 0.000 0.202 297 E C 1.690 178.258 176.600 -0.053 0.000 1.014 297 E CA 1.723 58.096 56.400 -0.045 0.000 0.819 297 E CB -0.227 29.455 29.700 -0.031 0.000 0.735 297 E HN 0.919 nan 8.360 nan 0.000 0.469 298 E N 1.733 121.902 120.200 -0.053 0.000 2.015 298 E HA -0.173 4.177 4.350 0.000 0.000 0.191 298 E C 2.307 178.863 176.600 -0.074 0.000 0.991 298 E CA 1.251 57.618 56.400 -0.055 0.000 0.802 298 E CB -0.542 29.130 29.700 -0.048 0.000 0.759 298 E HN 0.347 nan 8.360 nan 0.000 0.447 299 A N 1.513 124.280 122.820 -0.088 0.000 2.024 299 A HA -0.221 4.099 4.320 0.000 0.000 0.220 299 A C 2.090 179.582 177.584 -0.153 0.000 1.164 299 A CA 1.871 53.836 52.037 -0.120 0.000 0.643 299 A CB -0.597 18.324 19.000 -0.130 0.000 0.806 299 A HN 0.306 nan 8.150 nan 0.000 0.451 300 E N -0.571 119.548 120.200 -0.136 0.000 2.338 300 E HA -0.070 4.280 4.350 0.000 0.000 0.197 300 E C 1.618 178.156 176.600 -0.104 0.000 1.007 300 E CA 0.622 56.939 56.400 -0.139 0.000 0.849 300 E CB -0.122 29.520 29.700 -0.097 0.000 0.774 300 E HN 0.493 nan 8.360 nan 0.000 0.506 301 L N -0.154 121.018 121.223 -0.086 0.000 2.316 301 L HA 0.125 4.465 4.340 0.000 0.000 0.207 301 L C 2.094 178.922 176.870 -0.072 0.000 1.070 301 L CA 0.960 55.760 54.840 -0.066 0.000 0.820 301 L CB -0.374 41.654 42.059 -0.051 0.000 0.992 301 L HN 0.245 nan 8.230 nan 0.000 0.466 302 E N 0.248 120.398 120.200 -0.083 0.000 2.118 302 E HA -0.264 4.086 4.350 0.000 0.000 0.195 302 E C 2.164 178.707 176.600 -0.094 0.000 0.992 302 E CA 0.953 57.303 56.400 -0.084 0.000 0.804 302 E CB 0.031 29.677 29.700 -0.090 0.000 0.741 302 E HN 0.390 nan 8.360 nan 0.000 0.458 303 L N -0.084 121.067 121.223 -0.120 0.000 2.551 303 L HA -0.024 4.316 4.340 0.000 0.000 0.228 303 L C 1.948 178.772 176.870 -0.078 0.000 1.153 303 L CA 0.930 55.696 54.840 -0.123 0.000 0.851 303 L CB -0.284 41.656 42.059 -0.198 0.000 0.959 303 L HN 0.192 nan 8.230 nan 0.000 0.451 304 A N -0.502 122.277 122.820 -0.067 0.000 1.924 304 A HA -0.086 4.234 4.320 0.000 0.000 0.211 304 A C 1.982 179.539 177.584 -0.045 0.000 1.198 304 A CA 0.428 52.438 52.037 -0.045 0.000 0.657 304 A CB -0.112 18.865 19.000 -0.038 0.000 0.852 304 A HN 0.419 nan 8.150 nan 0.000 0.454 305 E N 0.577 120.746 120.200 -0.051 0.000 2.012 305 E HA -0.208 4.142 4.350 0.000 0.000 0.197 305 E C 1.763 178.326 176.600 -0.061 0.000 1.007 305 E CA 1.388 57.758 56.400 -0.050 0.000 0.816 305 E CB -0.271 29.398 29.700 -0.051 0.000 0.762 305 E HN 0.512 nan 8.360 nan 0.000 0.451 306 N N 0.876 119.533 118.700 -0.072 0.000 2.094 306 N HA -0.222 4.518 4.740 0.000 0.000 0.191 306 N C 1.723 177.173 175.510 -0.100 0.000 1.023 306 N CA 1.062 54.058 53.050 -0.091 0.000 0.857 306 N CB -0.461 37.974 38.487 -0.088 0.000 1.013 306 N HN 0.103 nan 8.380 nan 0.000 0.426 307 R N 0.732 121.190 120.500 -0.071 0.000 2.159 307 R HA -0.093 4.248 4.340 0.000 0.000 0.237 307 R C 1.174 177.436 176.300 -0.063 0.000 1.131 307 R CA 1.142 57.209 56.100 -0.055 0.000 0.982 307 R CB 0.223 30.507 30.300 -0.026 0.000 0.868 307 R HN 0.196 nan 8.270 nan 0.000 0.453 308 E N 0.055 120.218 120.200 -0.062 0.000 2.162 308 E HA -0.008 4.342 4.350 0.000 0.000 0.193 308 E C 1.978 178.535 176.600 -0.071 0.000 0.953 308 E CA 0.505 56.874 56.400 -0.052 0.000 0.849 308 E CB -0.049 29.632 29.700 -0.032 0.000 0.810 308 E HN 0.369 nan 8.360 nan 0.000 0.470 309 I N 1.415 121.934 120.570 -0.085 0.000 2.399 309 I HA -0.267 3.903 4.170 0.000 0.000 0.254 309 I C 2.145 178.132 176.117 -0.217 0.000 1.146 309 I CA 0.977 62.224 61.300 -0.090 0.000 1.412 309 I CB -0.301 37.650 38.000 -0.082 0.000 1.076 309 I HN 0.036 nan 8.210 nan 0.000 0.432 310 L N 0.135 121.160 121.223 -0.331 0.000 2.395 310 L HA -0.106 4.234 4.340 0.000 0.000 0.218 310 L C 2.413 179.109 176.870 -0.289 0.000 1.130 310 L CA 0.861 55.337 54.840 -0.607 0.000 0.826 310 L CB -0.335 41.478 42.059 -0.411 0.000 0.941 310 L HN 0.211 nan 8.230 nan 0.000 0.451 311 K N 0.530 120.866 120.400 -0.108 0.000 2.044 311 K HA -0.004 4.316 4.320 0.000 0.000 0.204 311 K C 0.273 176.911 176.600 0.063 0.000 1.045 311 K CA 0.260 56.545 56.287 -0.004 0.000 0.951 311 K CB -0.016 32.483 32.500 -0.002 0.000 0.738 311 K HN 0.292 nan 8.250 nan 0.000 0.443 312 E N 3.662 123.902 120.200 0.066 0.000 2.694 312 E HA -0.043 4.307 4.350 0.000 0.000 0.250 312 E C -2.311 174.410 176.600 0.203 0.000 0.963 312 E CA -1.113 55.353 56.400 0.111 0.000 0.949 312 E CB -0.120 29.637 29.700 0.096 0.000 0.911 312 E HN 0.162 nan 8.360 nan 0.000 0.500 313 P HA -0.044 nan 4.420 nan 0.000 0.269 313 P C -0.168 177.203 177.300 0.119 0.000 1.209 313 P CA -0.247 62.952 63.100 0.165 0.000 0.776 313 P CB 0.575 32.333 31.700 0.096 0.000 0.876 314 V N 3.823 123.745 119.914 0.014 0.000 2.625 314 V HA -0.120 4.000 4.120 0.000 0.000 0.305 314 V C 1.241 177.293 176.094 -0.071 0.000 1.055 314 V CA 0.656 62.851 62.300 -0.174 0.000 1.209 314 V CB -1.072 30.582 31.823 -0.281 0.000 0.877 314 V HN 0.644 nan 8.190 nan 0.000 0.489 315 H N 4.002 122.997 119.070 -0.126 0.000 2.487 315 H HA 0.429 4.986 4.556 0.000 0.000 0.333 315 H C 0.935 176.197 175.328 -0.111 0.000 1.114 315 H CA 0.586 56.581 56.048 -0.089 0.000 1.310 315 H CB 1.508 31.243 29.762 -0.045 0.000 1.462 315 H HN 0.958 nan 8.280 nan 0.000 0.516 316 G N 3.752 112.105 108.800 -0.745 0.000 2.248 316 G HA2 -0.204 3.756 3.960 0.000 0.000 0.263 316 G HA3 -0.204 3.756 3.960 0.000 0.000 0.263 316 G C -0.601 174.078 174.900 -0.369 0.000 1.082 316 G CA 0.263 45.085 45.100 -0.463 0.000 0.863 316 G HN 0.524 nan 8.290 nan 0.000 0.495 317 V N 0.908 120.476 119.914 -0.577 0.000 2.304 317 V HA 0.557 4.677 4.120 0.000 0.000 0.278 317 V C -0.429 175.382 176.094 -0.472 0.000 1.018 317 V CA -0.950 61.134 62.300 -0.361 0.000 0.814 317 V CB 0.644 32.352 31.823 -0.192 0.000 1.021 317 V HN 0.303 nan 8.190 nan 0.000 0.440 318 Y N 3.309 123.606 120.300 -0.005 0.000 2.352 318 Y HA 0.477 5.027 4.550 0.000 0.000 0.339 318 Y C -0.131 175.791 175.900 0.037 0.000 0.992 318 Y CA -1.095 57.020 58.100 0.025 0.000 1.100 318 Y CB 1.394 39.851 38.460 -0.005 0.000 1.192 318 Y HN 0.643 nan 8.280 nan 0.000 0.458 319 Y N 3.750 124.098 120.300 0.079 0.000 2.465 319 Y HA 0.185 4.735 4.550 0.000 0.000 0.331 319 Y C -0.316 175.574 175.900 -0.017 0.000 1.102 319 Y CA -0.575 57.495 58.100 -0.050 0.000 1.358 319 Y CB 0.425 38.847 38.460 -0.064 0.000 1.213 319 Y HN 0.577 nan 8.280 nan 0.000 0.525 320 D N 8.706 128.729 120.400 -0.627 0.000 2.441 320 D HA 0.310 4.950 4.640 0.000 0.000 0.231 320 D C -2.269 173.528 176.300 -0.839 0.000 1.073 320 D CA -2.653 51.007 54.000 -0.566 0.000 0.850 320 D CB 1.967 42.599 40.800 -0.280 0.000 1.062 320 D HN 0.312 nan 8.370 nan 0.000 0.524 321 P HA -0.107 nan 4.420 nan 0.000 0.218 321 P C 0.953 178.137 177.300 -0.193 0.000 1.148 321 P CA 0.932 63.762 63.100 -0.449 0.000 0.822 321 P CB 0.123 31.756 31.700 -0.110 0.000 0.784 322 S N -2.158 113.414 115.700 -0.213 0.000 2.754 322 S HA 0.117 4.587 4.470 0.000 0.000 0.223 322 S C 0.493 174.992 174.600 -0.169 0.000 0.951 322 S CA 0.027 58.115 58.200 -0.187 0.000 0.954 322 S CB -0.794 62.301 63.200 -0.174 0.000 0.780 322 S HN 0.103 nan 8.310 nan 0.000 0.509 323 K N 1.297 121.595 120.400 -0.171 0.000 2.375 323 K HA 0.403 4.723 4.320 0.000 0.000 0.249 323 K C -1.437 175.112 176.600 -0.086 0.000 0.942 323 K CA -0.925 55.287 56.287 -0.126 0.000 0.806 323 K CB 1.098 33.519 32.500 -0.132 0.000 1.227 323 K HN 0.114 nan 8.250 nan 0.000 0.430 324 D N 1.964 122.332 120.400 -0.052 0.000 2.372 324 D HA 0.061 4.701 4.640 0.000 0.000 0.243 324 D C 0.165 176.402 176.300 -0.105 0.000 1.121 324 D CA -0.289 53.693 54.000 -0.031 0.000 0.898 324 D CB 0.603 41.389 40.800 -0.024 0.000 1.202 324 D HN 0.073 nan 8.370 nan 0.000 0.428 325 L N 1.729 122.870 121.223 -0.137 0.000 2.416 325 L HA 0.195 4.535 4.340 0.000 0.000 0.272 325 L C 0.476 177.144 176.870 -0.335 0.000 1.161 325 L CA -0.068 54.608 54.840 -0.273 0.000 0.845 325 L CB 0.124 41.986 42.059 -0.327 0.000 1.119 325 L HN 0.236 nan 8.230 nan 0.000 0.464 326 I N 2.153 122.420 120.570 -0.505 0.000 2.460 326 I HA 0.522 4.692 4.170 0.000 0.000 0.298 326 I C 0.340 175.998 176.117 -0.765 0.000 0.989 326 I CA -0.715 60.195 61.300 -0.650 0.000 1.173 326 I CB 1.543 38.983 38.000 -0.935 0.000 1.338 326 I HN 0.616 nan 8.210 nan 0.000 0.456 327 A N 5.998 128.423 122.820 -0.659 0.000 2.311 327 A HA 0.584 4.905 4.320 0.000 0.000 0.306 327 A C -0.304 177.097 177.584 -0.304 0.000 1.189 327 A CA -0.628 51.053 52.037 -0.594 0.000 0.791 327 A CB 0.740 19.083 19.000 -1.095 0.000 1.172 327 A HN 0.731 nan 8.150 nan 0.000 0.481 328 E N 2.089 122.212 120.200 -0.128 0.000 2.197 328 E HA 0.524 4.874 4.350 0.000 0.000 0.281 328 E C -0.916 175.743 176.600 0.097 0.000 0.995 328 E CA -0.243 56.179 56.400 0.036 0.000 0.808 328 E CB 1.712 31.500 29.700 0.146 0.000 1.093 328 E HN 0.633 nan 8.360 nan 0.000 0.394 329 I N 2.388 123.044 120.570 0.143 0.000 2.530 329 I HA 0.240 4.410 4.170 0.000 0.000 0.297 329 I C -0.581 175.669 176.117 0.222 0.000 1.011 329 I CA -0.923 60.507 61.300 0.216 0.000 1.107 329 I CB 1.811 39.953 38.000 0.238 0.000 1.285 329 I HN 0.324 nan 8.210 nan 0.000 0.436 330 Q N 3.968 123.917 119.800 0.249 0.000 2.356 330 Q HA 0.348 4.688 4.340 0.000 0.000 0.270 330 Q C -0.776 175.328 176.000 0.173 0.000 1.058 330 Q CA -0.835 55.079 55.803 0.185 0.000 0.802 330 Q CB 2.423 31.228 28.738 0.112 0.000 1.303 330 Q HN 0.361 nan 8.270 nan 0.000 0.444 331 K N 1.853 122.261 120.400 0.012 0.000 2.349 331 K HA 0.065 4.385 4.320 0.000 0.000 0.288 331 K C 0.060 176.429 176.600 -0.385 0.000 1.058 331 K CA 0.102 56.089 56.287 -0.499 0.000 0.953 331 K CB 0.657 32.868 32.500 -0.481 0.000 0.997 331 K HN 0.481 nan 8.250 nan 0.000 0.477 332 Q N 2.626 122.143 119.800 -0.471 0.000 2.319 332 Q HA 0.164 4.504 4.340 0.000 0.000 0.209 332 Q C 0.354 176.189 176.000 -0.275 0.000 0.884 332 Q CA 0.698 56.342 55.803 -0.266 0.000 0.938 332 Q CB 0.958 29.601 28.738 -0.160 0.000 1.098 332 Q HN 1.022 nan 8.270 nan 0.000 0.517 333 G N 1.343 109.902 108.800 -0.401 0.000 2.730 333 G HA2 -0.191 3.770 3.960 0.000 0.000 0.686 333 G HA3 -0.191 3.770 3.960 0.000 0.000 0.686 333 G C -0.610 174.158 174.900 -0.221 0.000 1.343 333 G CA -0.391 44.540 45.100 -0.282 0.000 0.826 333 G HN 0.126 nan 8.290 nan 0.000 0.582 334 Q N -1.757 117.955 119.800 -0.148 0.000 2.457 334 Q HA -0.173 4.167 4.340 0.000 0.000 0.283 334 Q C 1.926 177.883 176.000 -0.073 0.000 1.234 334 Q CA 3.004 58.754 55.803 -0.089 0.000 0.877 334 Q CB -1.989 26.705 28.738 -0.073 0.000 1.250 334 Q HN 2.956 nan 8.270 nan 0.000 0.481 335 G N -1.574 107.179 108.800 -0.078 0.000 2.179 335 G HA2 -0.295 3.665 3.960 0.000 0.000 0.260 335 G HA3 -0.295 3.665 3.960 0.000 0.000 0.260 335 G C -0.052 174.855 174.900 0.012 0.000 0.977 335 G CA 0.413 45.534 45.100 0.035 0.000 0.641 335 G HN 0.300 nan 8.290 nan 0.000 0.533 336 Q N -0.783 118.890 119.800 -0.211 0.000 2.241 336 Q HA 0.646 4.986 4.340 0.000 0.000 0.254 336 Q C -0.585 175.183 176.000 -0.386 0.000 0.917 336 Q CA -0.145 55.572 55.803 -0.143 0.000 0.919 336 Q CB 1.188 29.864 28.738 -0.105 0.000 1.237 336 Q HN 0.461 nan 8.270 nan 0.000 0.434 337 W N 0.458 121.848 121.300 0.150 0.000 3.022 337 W HA 0.449 5.109 4.660 0.000 0.000 0.335 337 W C -0.279 176.350 176.519 0.183 0.000 1.133 337 W CA -0.679 56.776 57.345 0.183 0.000 1.219 337 W CB 1.627 31.245 29.460 0.263 0.000 1.409 337 W HN 0.459 nan 8.180 nan 0.000 0.507 338 T N -0.164 114.589 114.554 0.331 0.000 2.829 338 T HA 0.758 5.108 4.350 0.000 0.000 0.280 338 T C -1.153 173.659 174.700 0.186 0.000 0.999 338 T CA -0.681 61.524 62.100 0.176 0.000 0.983 338 T CB 1.233 70.138 68.868 0.061 0.000 0.968 338 T HN 0.400 nan 8.240 nan 0.000 0.446 339 Y N 0.401 120.722 120.300 0.035 0.000 2.536 339 Y HA 0.854 5.404 4.550 0.000 0.000 0.347 339 Y C -0.954 174.888 175.900 -0.097 0.000 1.000 339 Y CA -1.413 56.673 58.100 -0.023 0.000 1.051 339 Y CB 1.589 40.059 38.460 0.018 0.000 1.259 339 Y HN 0.562 nan 8.280 nan 0.000 0.468 340 Q N 2.617 122.441 119.800 0.041 0.000 2.372 340 Q HA 0.663 5.003 4.340 0.000 0.000 0.273 340 Q C -1.499 174.547 176.000 0.076 0.000 1.078 340 Q CA -0.619 55.206 55.803 0.037 0.000 0.806 340 Q CB 3.184 31.936 28.738 0.024 0.000 1.332 340 Q HN 0.795 nan 8.270 nan 0.000 0.435 341 I N 3.105 123.726 120.570 0.086 0.000 2.389 341 I HA 0.536 4.706 4.170 0.000 0.000 0.288 341 I C -1.126 174.963 176.117 -0.047 0.000 0.999 341 I CA -1.009 60.243 61.300 -0.080 0.000 1.129 341 I CB 0.665 38.674 38.000 0.016 0.000 1.288 341 I HN 0.643 nan 8.210 nan 0.000 0.444 342 Y N 3.175 123.404 120.300 -0.119 0.000 2.677 342 Y HA 0.567 5.118 4.550 0.000 0.000 0.334 342 Y C -0.084 175.723 175.900 -0.156 0.000 1.154 342 Y CA -0.958 57.067 58.100 -0.124 0.000 1.070 342 Y CB 1.155 39.559 38.460 -0.093 0.000 1.294 342 Y HN 0.426 nan 8.280 nan 0.000 0.475 343 Q N -0.454 119.441 119.800 0.159 0.000 2.477 343 Q HA 0.262 4.602 4.340 0.000 0.000 0.252 343 Q C -0.556 175.542 176.000 0.164 0.000 0.869 343 Q CA 0.100 55.949 55.803 0.076 0.000 0.969 343 Q CB 0.974 29.682 28.738 -0.049 0.000 1.144 343 Q HN 0.610 nan 8.270 nan 0.000 0.577 344 E N 1.143 121.413 120.200 0.116 0.000 2.221 344 E HA 0.351 4.701 4.350 0.000 0.000 0.268 344 E C -2.584 173.889 176.600 -0.211 0.000 0.933 344 E CA -2.269 54.130 56.400 -0.002 0.000 0.809 344 E CB 1.434 31.122 29.700 -0.021 0.000 1.190 344 E HN -0.080 nan 8.360 nan 0.000 0.406 345 P HA 0.018 nan 4.420 nan 0.000 0.268 345 P C -0.375 176.582 177.300 -0.571 0.000 1.204 345 P CA 0.216 62.798 63.100 -0.864 0.000 0.768 345 P CB 0.085 31.339 31.700 -0.743 0.000 0.842 346 F N 0.025 119.725 119.950 -0.416 0.000 2.705 346 F HA -0.242 4.285 4.527 0.000 0.000 0.413 346 F C 0.709 176.379 175.800 -0.217 0.000 0.588 346 F CA 1.056 58.882 58.000 -0.290 0.000 1.187 346 F CB -2.061 36.757 39.000 -0.303 0.000 1.737 346 F HN 0.309 nan 8.300 nan 0.000 0.285 347 K N 1.705 122.071 120.400 -0.056 0.000 2.363 347 K HA 0.248 4.568 4.320 0.000 0.000 0.240 347 K C 0.051 176.670 176.600 0.032 0.000 1.169 347 K CA -0.175 56.097 56.287 -0.026 0.000 1.131 347 K CB -0.035 32.452 32.500 -0.023 0.000 1.771 347 K HN 0.087 nan 8.250 nan 0.000 0.380 348 N N 1.380 120.110 118.700 0.051 0.000 2.482 348 N HA 0.061 4.802 4.740 0.000 0.000 0.260 348 N C 0.709 176.268 175.510 0.082 0.000 1.236 348 N CA 0.123 53.244 53.050 0.120 0.000 0.938 348 N CB 0.916 39.488 38.487 0.142 0.000 1.128 348 N HN 0.265 nan 8.380 nan 0.000 0.448 349 L N 0.002 121.293 121.223 0.112 0.000 2.500 349 L HA 0.267 4.607 4.340 0.000 0.000 0.219 349 L C 0.883 177.897 176.870 0.239 0.000 1.057 349 L CA 0.504 55.440 54.840 0.160 0.000 0.854 349 L CB 0.189 42.329 42.059 0.134 0.000 1.078 349 L HN 0.479 nan 8.230 nan 0.000 0.480 350 K N -0.023 120.520 120.400 0.237 0.000 2.555 350 K HA 0.488 4.808 4.320 0.000 0.000 0.279 350 K C -1.529 175.153 176.600 0.137 0.000 0.986 350 K CA -0.400 56.009 56.287 0.203 0.000 0.880 350 K CB 2.396 35.055 32.500 0.265 0.000 1.474 350 K HN -0.078 nan 8.250 nan 0.000 0.433 351 T N -0.803 113.769 114.554 0.030 0.000 3.295 351 T HA 0.667 5.017 4.350 0.000 0.000 0.331 351 T C -0.495 174.012 174.700 -0.322 0.000 1.142 351 T CA -0.549 61.474 62.100 -0.127 0.000 1.078 351 T CB 1.396 70.279 68.868 0.024 0.000 1.150 351 T HN 0.735 nan 8.240 nan 0.000 0.465 352 G N 1.401 109.685 108.800 -0.861 0.000 2.788 352 G HA2 0.725 4.685 3.960 0.000 0.000 0.293 352 G HA3 0.725 4.685 3.960 0.000 0.000 0.293 352 G C -1.690 172.856 174.900 -0.590 0.000 1.392 352 G CA -0.961 43.661 45.100 -0.796 0.000 0.810 352 G HN 0.811 nan 8.290 nan 0.000 0.508 353 K N -1.477 118.823 120.400 -0.168 0.000 2.313 353 K HA 0.663 4.984 4.320 0.000 0.000 0.235 353 K C -2.038 174.779 176.600 0.363 0.000 1.035 353 K CA -0.971 55.373 56.287 0.095 0.000 0.868 353 K CB 2.301 34.856 32.500 0.091 0.000 1.232 353 K HN 0.518 nan 8.250 nan 0.000 0.459 354 Y N 0.286 120.734 120.300 0.248 0.000 2.265 354 Y HA 0.387 4.937 4.550 0.000 0.000 0.325 354 Y C -1.545 174.522 175.900 0.279 0.000 1.190 354 Y CA -0.468 57.787 58.100 0.258 0.000 1.224 354 Y CB 0.812 39.438 38.460 0.278 0.000 1.200 354 Y HN 0.664 nan 8.280 nan 0.000 0.421 355 A N 5.800 128.495 122.820 -0.209 0.000 2.269 355 A HA 1.003 5.324 4.320 0.000 0.000 0.319 355 A C -0.500 176.916 177.584 -0.280 0.000 1.110 355 A CA -0.561 51.400 52.037 -0.128 0.000 0.847 355 A CB 1.165 20.126 19.000 -0.065 0.000 1.161 355 A HN 0.761 nan 8.150 nan 0.000 0.497 356 R N -0.306 120.145 120.500 -0.083 0.000 2.762 356 R HA 0.256 4.596 4.340 0.000 0.000 0.271 356 R C -0.801 175.501 176.300 0.004 0.000 1.038 356 R CA -0.959 55.109 56.100 -0.053 0.000 0.906 356 R CB 1.171 31.502 30.300 0.051 0.000 1.259 356 R HN 0.869 nan 8.270 nan 0.000 0.457 357 M N 2.785 122.395 119.600 0.016 0.000 2.409 357 M HA -0.047 4.433 4.480 0.000 0.000 0.376 357 M C 0.178 176.498 176.300 0.033 0.000 1.631 357 M CA 1.215 56.529 55.300 0.024 0.000 0.987 357 M CB 0.142 32.761 32.600 0.032 0.000 2.090 357 M HN 0.369 nan 8.290 nan 0.000 0.474 358 R N 3.773 124.284 120.500 0.018 0.000 2.423 358 R HA 0.136 4.476 4.340 0.000 0.000 0.248 358 R C 1.086 177.393 176.300 0.012 0.000 1.019 358 R CA 0.048 56.154 56.100 0.010 0.000 1.119 358 R CB -0.406 29.891 30.300 -0.005 0.000 1.176 358 R HN 0.888 nan 8.270 nan 0.000 0.526 359 G N 0.239 109.056 108.800 0.029 0.000 2.518 359 G HA2 0.075 4.035 3.960 0.000 0.000 0.284 359 G HA3 0.075 4.035 3.960 0.000 0.000 0.284 359 G C 0.945 175.861 174.900 0.026 0.000 1.362 359 G CA 0.169 45.295 45.100 0.042 0.000 1.065 359 G HN 0.258 nan 8.290 nan 0.000 0.561 360 A N -1.925 120.919 122.820 0.040 0.000 1.970 360 A HA 0.112 4.432 4.320 0.000 0.000 0.216 360 A C 1.769 179.229 177.584 -0.208 0.000 1.170 360 A CA 1.404 53.385 52.037 -0.094 0.000 0.645 360 A CB -0.238 18.676 19.000 -0.144 0.000 0.816 360 A HN 0.625 nan 8.150 nan 0.000 0.447 361 H N 0.178 119.241 119.070 -0.010 0.000 2.505 361 H HA 0.185 4.742 4.556 0.000 0.000 0.286 361 H C 0.476 175.792 175.328 -0.020 0.000 1.072 361 H CA 0.310 56.348 56.048 -0.017 0.000 1.141 361 H CB -0.174 29.578 29.762 -0.016 0.000 1.550 361 H HN 0.405 nan 8.280 nan 0.000 0.547 362 T N -0.626 113.965 114.554 0.062 0.000 2.849 362 T HA -0.135 4.215 4.350 0.000 0.000 0.289 362 T C 0.531 175.247 174.700 0.027 0.000 1.010 362 T CA -0.452 61.680 62.100 0.053 0.000 1.161 362 T CB 0.425 69.328 68.868 0.059 0.000 0.989 362 T HN 0.295 nan 8.240 nan 0.000 0.523 363 N N 2.726 121.423 118.700 -0.005 0.000 2.527 363 N HA 0.116 4.856 4.740 0.000 0.000 0.236 363 N C 0.462 175.951 175.510 -0.035 0.000 0.999 363 N CA -0.524 52.482 53.050 -0.073 0.000 0.935 363 N CB 1.123 39.500 38.487 -0.184 0.000 1.132 363 N HN 0.589 nan 8.380 nan 0.000 0.511 364 D N 2.767 123.199 120.400 0.054 0.000 2.133 364 D HA -0.143 4.497 4.640 0.000 0.000 0.195 364 D C 1.683 178.053 176.300 0.116 0.000 0.997 364 D CA 1.174 55.304 54.000 0.217 0.000 0.840 364 D CB 0.444 41.387 40.800 0.239 0.000 0.947 364 D HN 0.369 nan 8.370 nan 0.000 0.452 365 V N 0.566 120.486 119.914 0.009 0.000 2.307 365 V HA -0.202 3.918 4.120 0.000 0.000 0.245 365 V C 2.422 178.416 176.094 -0.168 0.000 1.045 365 V CA 1.639 63.949 62.300 0.018 0.000 1.024 365 V CB -0.441 31.424 31.823 0.070 0.000 0.651 365 V HN 0.170 nan 8.190 nan 0.000 0.449 366 K N -0.079 120.016 120.400 -0.507 0.000 2.103 366 K HA -0.236 4.084 4.320 0.000 0.000 0.207 366 K C 2.189 178.573 176.600 -0.359 0.000 1.048 366 K CA 1.687 57.465 56.287 -0.847 0.000 0.930 366 K CB -0.116 31.710 32.500 -1.122 0.000 0.716 366 K HN 0.540 nan 8.250 nan 0.000 0.444 367 Q N 0.427 120.084 119.800 -0.238 0.000 2.083 367 Q HA -0.090 4.250 4.340 0.000 0.000 0.198 367 Q C 2.211 177.904 176.000 -0.512 0.000 0.969 367 Q CA 1.108 56.777 55.803 -0.223 0.000 0.838 367 Q CB -0.085 28.644 28.738 -0.015 0.000 0.900 367 Q HN 0.362 nan 8.270 nan 0.000 0.436 368 L N 0.872 121.759 121.223 -0.560 0.000 2.043 368 L HA -0.222 4.118 4.340 0.000 0.000 0.212 368 L C 2.612 179.350 176.870 -0.219 0.000 1.075 368 L CA 1.954 56.462 54.840 -0.555 0.000 0.752 368 L CB -0.460 41.514 42.059 -0.140 0.000 0.891 368 L HN 0.433 nan 8.230 nan 0.000 0.432 369 T N -4.061 110.491 114.554 -0.004 0.000 3.014 369 T HA -0.101 4.249 4.350 0.000 0.000 0.263 369 T C 1.499 176.174 174.700 -0.042 0.000 1.078 369 T CA 0.711 62.921 62.100 0.182 0.000 1.135 369 T CB -0.116 68.951 68.868 0.331 0.000 0.895 369 T HN 0.404 nan 8.240 nan 0.000 0.480 370 E N 1.059 121.161 120.200 -0.162 0.000 2.208 370 E HA 0.120 4.470 4.350 0.000 0.000 0.193 370 E C 2.496 178.793 176.600 -0.505 0.000 0.988 370 E CA 0.788 57.051 56.400 -0.229 0.000 0.828 370 E CB -0.216 29.427 29.700 -0.095 0.000 0.763 370 E HN 0.710 nan 8.360 nan 0.000 0.478 371 A N 1.235 123.648 122.820 -0.678 0.000 1.898 371 A HA -0.127 4.193 4.320 0.000 0.000 0.216 371 A C 2.493 179.755 177.584 -0.536 0.000 1.181 371 A CA 1.441 52.937 52.037 -0.902 0.000 0.620 371 A CB -0.613 17.924 19.000 -0.772 0.000 0.819 371 A HN 0.231 nan 8.150 nan 0.000 0.442 372 V N -2.867 116.801 119.914 -0.409 0.000 2.871 372 V HA -0.139 3.982 4.120 0.000 0.000 0.256 372 V C 1.927 177.881 176.094 -0.234 0.000 1.082 372 V CA 1.815 63.813 62.300 -0.502 0.000 1.105 372 V CB -0.875 30.487 31.823 -0.768 0.000 0.713 372 V HN 0.563 nan 8.190 nan 0.000 0.473 373 Q N 0.710 120.387 119.800 -0.206 0.000 2.187 373 Q HA -0.076 4.264 4.340 0.000 0.000 0.199 373 Q C 2.278 178.258 176.000 -0.033 0.000 0.957 373 Q CA 1.601 57.345 55.803 -0.099 0.000 0.857 373 Q CB -0.083 28.446 28.738 -0.348 0.000 0.929 373 Q HN 0.758 nan 8.270 nan 0.000 0.453 374 K N 1.151 121.430 120.400 -0.203 0.000 2.001 374 K HA -0.117 4.203 4.320 0.000 0.000 0.208 374 K C 1.857 178.274 176.600 -0.306 0.000 1.048 374 K CA 1.119 57.264 56.287 -0.237 0.000 0.932 374 K CB -0.057 32.250 32.500 -0.323 0.000 0.715 374 K HN 0.084 nan 8.250 nan 0.000 0.437 375 I N 1.015 121.377 120.570 -0.346 0.000 2.226 375 I HA -0.260 3.910 4.170 0.000 0.000 0.245 375 I C 2.123 178.150 176.117 -0.151 0.000 1.100 375 I CA 1.400 62.467 61.300 -0.387 0.000 1.374 375 I CB -0.533 37.265 38.000 -0.336 0.000 1.057 375 I HN 0.295 nan 8.210 nan 0.000 0.413 376 T N 0.023 114.610 114.554 0.055 0.000 2.622 376 T HA -0.199 4.151 4.350 0.000 0.000 0.266 376 T C 1.956 176.486 174.700 -0.284 0.000 1.047 376 T CA 2.201 64.257 62.100 -0.073 0.000 1.159 376 T CB -0.510 68.296 68.868 -0.103 0.000 0.863 376 T HN 0.324 nan 8.240 nan 0.000 0.422 377 T N 2.104 116.558 114.554 -0.167 0.000 2.685 377 T HA -0.176 4.174 4.350 0.000 0.000 0.268 377 T C 1.942 176.532 174.700 -0.184 0.000 1.034 377 T CA 1.600 63.653 62.100 -0.078 0.000 1.149 377 T CB -0.389 68.565 68.868 0.143 0.000 0.860 377 T HN 0.557 nan 8.240 nan 0.000 0.449 378 E N 0.599 120.603 120.200 -0.328 0.000 2.031 378 E HA -0.091 4.259 4.350 0.000 0.000 0.193 378 E C 2.661 179.086 176.600 -0.292 0.000 0.994 378 E CA 1.302 57.443 56.400 -0.432 0.000 0.800 378 E CB -0.228 29.050 29.700 -0.704 0.000 0.752 378 E HN 0.317 nan 8.360 nan 0.000 0.447 379 S N 0.887 116.439 115.700 -0.246 0.000 2.374 379 S HA -0.180 4.290 4.470 0.000 0.000 0.227 379 S C 2.039 176.514 174.600 -0.209 0.000 1.037 379 S CA 0.984 59.130 58.200 -0.090 0.000 1.024 379 S CB -0.248 62.964 63.200 0.021 0.000 0.861 379 S HN 0.197 nan 8.310 nan 0.000 0.456 380 I N 0.767 121.115 120.570 -0.370 0.000 2.179 380 I HA -0.146 4.024 4.170 0.000 0.000 0.242 380 I C 2.168 178.064 176.117 -0.368 0.000 1.088 380 I CA 0.937 61.937 61.300 -0.500 0.000 1.357 380 I CB -0.452 37.074 38.000 -0.790 0.000 1.051 380 I HN 0.145 nan 8.210 nan 0.000 0.409 381 V N 1.052 120.754 119.914 -0.353 0.000 2.407 381 V HA -0.270 3.850 4.120 0.000 0.000 0.248 381 V C 2.182 178.160 176.094 -0.194 0.000 1.055 381 V CA 1.880 64.030 62.300 -0.250 0.000 1.049 381 V CB -0.362 31.438 31.823 -0.039 0.000 0.662 381 V HN 0.354 nan 8.190 nan 0.000 0.455 382 I N -2.156 118.170 120.570 -0.407 0.000 2.585 382 I HA -0.082 4.088 4.170 0.000 0.000 0.254 382 I C 1.854 177.363 176.117 -1.012 0.000 1.129 382 I CA 1.119 61.972 61.300 -0.745 0.000 1.455 382 I CB -0.051 37.133 38.000 -1.360 0.000 1.111 382 I HN 0.389 nan 8.210 nan 0.000 0.433 383 W N -0.051 120.835 121.300 -0.690 0.000 2.555 383 W HA 0.379 5.039 4.660 0.000 0.000 0.324 383 W C 1.344 177.276 176.519 -0.978 0.000 0.973 383 W CA 0.478 57.218 57.345 -1.008 0.000 1.481 383 W CB -0.158 28.744 29.460 -0.929 0.000 1.064 383 W HN 0.226 nan 8.180 nan 0.000 0.543 384 G N 2.404 110.877 108.800 -0.544 0.000 2.160 384 G HA2 -0.316 3.644 3.960 0.000 0.000 0.251 384 G HA3 -0.316 3.644 3.960 0.000 0.000 0.251 384 G C 0.075 174.995 174.900 0.035 0.000 1.008 384 G CA 1.005 46.083 45.100 -0.037 0.000 0.724 384 G HN 0.228 nan 8.290 nan 0.000 0.514 385 K N -0.227 120.120 120.400 -0.088 0.000 2.498 385 K HA 0.553 4.873 4.320 0.000 0.000 0.254 385 K C -0.413 176.116 176.600 -0.119 0.000 0.933 385 K CA -0.566 55.713 56.287 -0.014 0.000 0.806 385 K CB 1.373 33.956 32.500 0.139 0.000 1.301 385 K HN 0.004 nan 8.250 nan 0.000 0.432 386 T N 4.909 119.405 114.554 -0.097 0.000 2.884 386 T HA 0.289 4.640 4.350 0.000 0.000 0.298 386 T C -2.424 172.244 174.700 -0.052 0.000 0.998 386 T CA -1.002 61.035 62.100 -0.105 0.000 1.124 386 T CB 1.010 69.868 68.868 -0.015 0.000 0.931 386 T HN 0.428 nan 8.240 nan 0.000 0.531 387 P HA 0.332 nan 4.420 nan 0.000 0.286 387 P C -0.841 176.361 177.300 -0.164 0.000 1.261 387 P CA -0.772 62.189 63.100 -0.231 0.000 0.821 387 P CB 0.914 32.334 31.700 -0.467 0.000 1.013 388 K N 2.430 122.716 120.400 -0.191 0.000 2.258 388 K HA 0.333 4.653 4.320 0.000 0.000 0.284 388 K C -0.862 175.634 176.600 -0.173 0.000 1.051 388 K CA -0.384 55.854 56.287 -0.080 0.000 0.923 388 K CB -0.005 32.446 32.500 -0.082 0.000 1.046 388 K HN 0.231 nan 8.250 nan 0.000 0.474 389 F N 3.166 123.076 119.950 -0.067 0.000 2.394 389 F HA 0.281 4.808 4.527 0.000 0.000 0.340 389 F C 0.536 176.244 175.800 -0.154 0.000 1.105 389 F CA -0.417 57.519 58.000 -0.108 0.000 1.124 389 F CB 1.350 40.292 39.000 -0.098 0.000 1.145 389 F HN 0.247 nan 8.300 nan 0.000 0.505 390 K N 5.140 125.543 120.400 0.004 0.000 2.266 390 K HA 0.381 4.701 4.320 0.000 0.000 0.274 390 K C -0.949 175.631 176.600 -0.032 0.000 1.090 390 K CA -0.237 56.031 56.287 -0.031 0.000 0.925 390 K CB 0.620 33.122 32.500 0.003 0.000 1.225 390 K HN 0.514 nan 8.250 nan 0.000 0.458 391 L N 5.508 126.635 121.223 -0.161 0.000 2.265 391 L HA 0.250 4.590 4.340 0.000 0.000 0.288 391 L C -1.669 175.186 176.870 -0.025 0.000 1.058 391 L CA -2.010 52.712 54.840 -0.196 0.000 0.809 391 L CB 0.963 42.666 42.059 -0.594 0.000 1.179 391 L HN 0.335 nan 8.230 nan 0.000 0.429 392 P HA 0.160 nan 4.420 nan 0.000 0.232 392 P C -0.493 176.891 177.300 0.140 0.000 1.738 392 P CA 0.508 63.679 63.100 0.118 0.000 0.948 392 P CB 0.217 32.019 31.700 0.170 0.000 1.943 393 I N -1.573 119.076 120.570 0.131 0.000 3.066 393 I HA 0.272 4.442 4.170 0.000 0.000 0.307 393 I C -1.267 174.908 176.117 0.096 0.000 1.366 393 I CA -1.073 60.314 61.300 0.144 0.000 0.972 393 I CB 2.660 40.774 38.000 0.190 0.000 1.307 393 I HN -0.218 nan 8.210 nan 0.000 0.470 394 Q N 4.409 124.234 119.800 0.042 0.000 2.288 394 Q HA 0.139 4.479 4.340 0.000 0.000 0.254 394 Q C 0.487 176.298 176.000 -0.315 0.000 0.932 394 Q CA 0.038 55.798 55.803 -0.070 0.000 0.902 394 Q CB 1.781 30.512 28.738 -0.012 0.000 1.203 394 Q HN 0.743 nan 8.270 nan 0.000 0.415 395 K N 3.309 123.336 120.400 -0.621 0.000 2.059 395 K HA -0.221 4.099 4.320 0.000 0.000 0.212 395 K C 1.126 177.422 176.600 -0.507 0.000 1.050 395 K CA 1.917 57.499 56.287 -1.175 0.000 0.927 395 K CB 0.297 32.377 32.500 -0.700 0.000 0.714 395 K HN 0.576 nan 8.250 nan 0.000 0.447 396 E N -0.197 119.859 120.200 -0.239 0.000 2.046 396 E HA -0.112 4.238 4.350 0.000 0.000 0.190 396 E C 2.152 178.714 176.600 -0.064 0.000 0.982 396 E CA 1.495 57.820 56.400 -0.126 0.000 0.800 396 E CB -0.517 29.134 29.700 -0.083 0.000 0.756 396 E HN 0.379 nan 8.360 nan 0.000 0.449 397 T N 1.911 116.480 114.554 0.025 0.000 2.635 397 T HA -0.201 4.149 4.350 0.000 0.000 0.267 397 T C 1.375 176.221 174.700 0.244 0.000 1.040 397 T CA 1.418 63.637 62.100 0.199 0.000 1.156 397 T CB -0.534 68.481 68.868 0.245 0.000 0.863 397 T HN 0.414 nan 8.240 nan 0.000 0.430 398 W N 2.170 123.459 121.300 -0.019 0.000 2.338 398 W HA -0.150 4.510 4.660 0.000 0.000 0.304 398 W C 1.705 178.298 176.519 0.123 0.000 1.212 398 W CA 1.494 58.850 57.345 0.019 0.000 1.264 398 W CB -0.152 29.235 29.460 -0.121 0.000 1.142 398 W HN 0.448 nan 8.180 nan 0.000 0.512 399 E N -0.654 119.577 120.200 0.052 0.000 2.230 399 E HA -0.109 4.241 4.350 0.000 0.000 0.192 399 E C 2.021 178.460 176.600 -0.268 0.000 0.987 399 E CA 1.422 57.810 56.400 -0.020 0.000 0.841 399 E CB -0.340 29.347 29.700 -0.022 0.000 0.783 399 E HN 0.075 nan 8.360 nan 0.000 0.481 400 T N -0.024 114.342 114.554 -0.313 0.000 2.803 400 T HA -0.143 4.208 4.350 0.000 0.000 0.269 400 T C 0.787 175.021 174.700 -0.776 0.000 1.052 400 T CA 0.974 62.681 62.100 -0.657 0.000 1.136 400 T CB -0.004 68.240 68.868 -1.039 0.000 0.864 400 T HN 0.355 nan 8.240 nan 0.000 0.467 401 W N -0.723 120.436 121.300 -0.234 0.000 2.701 401 W HA 0.263 4.923 4.660 0.000 0.000 0.254 401 W C 1.793 178.082 176.519 -0.382 0.000 1.017 401 W CA -0.939 56.257 57.345 -0.249 0.000 1.326 401 W CB -0.480 28.965 29.460 -0.027 0.000 0.881 401 W HN 0.366 nan 8.180 nan 0.000 0.647 402 W N 1.942 122.967 121.300 -0.459 0.000 2.342 402 W HA -0.189 4.471 4.660 0.000 0.000 0.297 402 W C 1.526 177.901 176.519 -0.240 0.000 1.213 402 W CA 2.291 59.272 57.345 -0.607 0.000 1.251 402 W CB -1.827 26.631 29.460 -1.669 0.000 1.136 402 W HN -0.152 nan 8.180 nan 0.000 0.526 403 T N -1.182 112.589 114.554 -1.305 0.000 3.051 403 T HA -0.134 4.216 4.350 0.000 0.000 0.269 403 T C 1.372 175.869 174.700 -0.339 0.000 1.127 403 T CA 1.235 62.778 62.100 -0.930 0.000 1.107 403 T CB -0.410 67.818 68.868 -1.067 0.000 0.898 403 T HN 0.015 nan 8.240 nan 0.000 0.517 404 E N 0.731 120.644 120.200 -0.478 0.000 2.409 404 E HA -0.028 4.322 4.350 0.000 0.000 0.198 404 E C 0.277 176.510 176.600 -0.612 0.000 1.024 404 E CA 0.809 56.878 56.400 -0.552 0.000 0.861 404 E CB -0.116 29.126 29.700 -0.762 0.000 0.788 404 E HN 0.808 nan 8.360 nan 0.000 0.521 405 Y N -2.470 117.869 120.300 0.065 0.000 2.588 405 Y HA 0.174 4.724 4.550 0.000 0.000 0.247 405 Y C 0.589 176.586 175.900 0.162 0.000 1.157 405 Y CA -1.059 57.090 58.100 0.083 0.000 1.215 405 Y CB -0.028 38.466 38.460 0.056 0.000 1.245 405 Y HN 0.010 nan 8.280 nan 0.000 0.534 406 W N 2.702 124.058 121.300 0.092 0.000 2.261 406 W HA 0.202 4.862 4.660 0.000 0.000 0.323 406 W C 0.147 176.677 176.519 0.019 0.000 1.243 406 W CA 0.348 57.778 57.345 0.142 0.000 1.210 406 W CB 1.293 30.912 29.460 0.265 0.000 1.149 406 W HN 0.060 nan 8.180 nan 0.000 0.562 407 Q N 2.885 122.441 119.800 -0.407 0.000 2.081 407 Q HA 0.188 4.528 4.340 0.000 0.000 0.220 407 Q C 0.050 175.749 176.000 -0.502 0.000 0.775 407 Q CA -0.025 55.576 55.803 -0.337 0.000 0.983 407 Q CB 1.050 29.614 28.738 -0.290 0.000 1.188 407 Q HN 0.437 nan 8.270 nan 0.000 0.458 408 A N 0.586 122.870 122.820 -0.893 0.000 2.295 408 A HA 0.463 4.783 4.320 0.000 0.000 0.318 408 A C 1.186 178.502 177.584 -0.447 0.000 1.134 408 A CA 0.175 51.606 52.037 -1.010 0.000 0.827 408 A CB 0.598 18.418 19.000 -1.968 0.000 1.136 408 A HN 0.181 nan 8.150 nan 0.000 0.493 409 T N -1.437 112.783 114.554 -0.556 0.000 3.067 409 T HA 0.073 4.423 4.350 0.000 0.000 0.261 409 T C 0.460 175.209 174.700 0.082 0.000 1.110 409 T CA 0.236 62.245 62.100 -0.151 0.000 1.113 409 T CB -0.319 68.495 68.868 -0.091 0.000 0.917 409 T HN 0.673 nan 8.240 nan 0.000 0.499 410 W N 0.701 122.269 121.300 0.446 0.000 2.578 410 W HA 0.754 5.414 4.660 0.000 0.000 0.353 410 W C -1.199 175.711 176.519 0.652 0.000 1.088 410 W CA -1.879 55.748 57.345 0.470 0.000 1.235 410 W CB 0.641 30.373 29.460 0.454 0.000 1.362 410 W HN -0.090 nan 8.180 nan 0.000 0.592 411 I N 3.068 124.119 120.570 0.802 0.000 2.500 411 I HA 0.207 4.377 4.170 0.000 0.000 0.286 411 I C -2.169 174.131 176.117 0.305 0.000 1.063 411 I CA -2.256 59.354 61.300 0.517 0.000 1.062 411 I CB 2.137 40.226 38.000 0.149 0.000 1.223 411 I HN -0.010 nan 8.210 nan 0.000 0.435 412 P HA 0.167 nan 4.420 nan 0.000 0.275 412 P C -0.614 176.598 177.300 -0.146 0.000 1.228 412 P CA -0.280 62.942 63.100 0.204 0.000 0.786 412 P CB 0.794 32.762 31.700 0.447 0.000 0.927 413 E N 1.531 121.669 120.200 -0.104 0.000 2.418 413 E HA 0.160 4.510 4.350 0.000 0.000 0.261 413 E C -0.345 176.169 176.600 -0.143 0.000 1.070 413 E CA 0.584 56.828 56.400 -0.260 0.000 0.931 413 E CB 0.263 29.904 29.700 -0.098 0.000 0.954 413 E HN 0.523 nan 8.360 nan 0.000 0.439 414 W N -0.172 121.033 121.300 -0.159 0.000 3.074 414 W HA 0.474 5.134 4.660 0.000 0.000 0.332 414 W C -1.271 174.970 176.519 -0.464 0.000 1.253 414 W CA -1.054 56.106 57.345 -0.308 0.000 1.180 414 W CB 0.266 29.417 29.460 -0.514 0.000 1.445 414 W HN 0.505 nan 8.180 nan 0.000 0.573 415 E N 0.583 120.655 120.200 -0.214 0.000 2.366 415 E HA 0.642 4.993 4.350 0.000 0.000 0.278 415 E C -1.790 174.485 176.600 -0.541 0.000 0.923 415 E CA -0.976 55.195 56.400 -0.382 0.000 0.761 415 E CB 2.226 31.859 29.700 -0.112 0.000 1.231 415 E HN 0.256 nan 8.360 nan 0.000 0.443 416 F N 1.205 121.136 119.950 -0.033 0.000 2.394 416 F HA 0.529 5.056 4.527 0.000 0.000 0.340 416 F C 0.088 175.876 175.800 -0.021 0.000 1.105 416 F CA -0.917 57.031 58.000 -0.085 0.000 1.124 416 F CB 1.689 40.633 39.000 -0.093 0.000 1.145 416 F HN 0.268 nan 8.300 nan 0.000 0.505 417 V N 3.076 123.067 119.914 0.128 0.000 2.876 417 V HA 0.460 4.581 4.120 0.000 0.000 0.312 417 V C -1.232 174.921 176.094 0.098 0.000 1.085 417 V CA -1.049 61.312 62.300 0.101 0.000 0.945 417 V CB 2.227 34.094 31.823 0.072 0.000 1.017 417 V HN 0.813 nan 8.190 nan 0.000 0.428 418 N N 2.924 121.674 118.700 0.084 0.000 2.521 418 N HA 0.288 5.028 4.740 0.000 0.000 0.236 418 N C -0.288 175.258 175.510 0.060 0.000 1.067 418 N CA -0.250 52.841 53.050 0.068 0.000 0.939 418 N CB 1.314 39.835 38.487 0.057 0.000 1.201 418 N HN 0.614 nan 8.380 nan 0.000 0.511 419 T N 1.785 116.374 114.554 0.059 0.000 2.916 419 T HA 0.152 4.502 4.350 0.000 0.000 0.303 419 T C -2.137 172.577 174.700 0.023 0.000 1.025 419 T CA -1.396 60.736 62.100 0.054 0.000 1.142 419 T CB 0.012 68.917 68.868 0.062 0.000 0.947 419 T HN 0.296 nan 8.240 nan 0.000 0.544 420 P HA 0.178 nan 4.420 nan 0.000 0.263 420 P C -2.076 175.173 177.300 -0.085 0.000 1.195 420 P CA -1.243 61.850 63.100 -0.012 0.000 0.762 420 P CB 0.190 31.902 31.700 0.021 0.000 0.799 421 P HA -0.134 nan 4.420 nan 0.000 0.229 421 P C 1.050 178.167 177.300 -0.305 0.000 1.150 421 P CA 0.699 63.702 63.100 -0.161 0.000 0.765 421 P CB 0.032 31.660 31.700 -0.121 0.000 0.783 422 L N -1.130 119.878 121.223 -0.358 0.000 2.084 422 L HA -0.054 4.287 4.340 0.000 0.000 0.202 422 L C 2.311 178.431 176.870 -1.250 0.000 1.074 422 L CA 1.423 55.838 54.840 -0.708 0.000 0.757 422 L CB -1.302 40.555 42.059 -0.336 0.000 0.918 422 L HN -0.206 nan 8.230 nan 0.000 0.444 423 V N 0.805 120.307 119.914 -0.687 0.000 2.546 423 V HA -0.324 3.796 4.120 0.000 0.000 0.254 423 V C 2.454 178.291 176.094 -0.429 0.000 1.076 423 V CA 1.990 63.968 62.300 -0.537 0.000 1.087 423 V CB -1.079 30.756 31.823 0.020 0.000 0.674 423 V HN 0.595 nan 8.190 nan 0.000 0.470 424 K N 0.163 120.341 120.400 -0.369 0.000 2.103 424 K HA -0.090 4.230 4.320 0.000 0.000 0.204 424 K C 2.166 178.590 176.600 -0.293 0.000 1.052 424 K CA 1.172 57.339 56.287 -0.199 0.000 0.945 424 K CB -0.445 31.957 32.500 -0.164 0.000 0.722 424 K HN 0.328 nan 8.250 nan 0.000 0.443 425 L N 0.692 121.550 121.223 -0.608 0.000 2.362 425 L HA -0.034 4.306 4.340 0.000 0.000 0.219 425 L C 1.300 178.009 176.870 -0.268 0.000 1.134 425 L CA 1.533 56.060 54.840 -0.523 0.000 0.807 425 L CB -0.696 40.908 42.059 -0.758 0.000 0.927 425 L HN 0.415 nan 8.230 nan 0.000 0.447 426 W N -1.641 119.466 121.300 -0.322 0.000 2.480 426 W HA -0.157 4.503 4.660 0.000 0.000 0.299 426 W C 2.055 178.418 176.519 -0.260 0.000 1.187 426 W CA -0.125 56.942 57.345 -0.462 0.000 1.347 426 W CB -0.509 28.191 29.460 -1.266 0.000 1.121 426 W HN 0.007 nan 8.180 nan 0.000 0.533 427 Y N 0.958 121.363 120.300 0.173 0.000 2.544 427 Y HA 0.038 4.588 4.550 0.000 0.000 0.286 427 Y C 1.518 177.477 175.900 0.099 0.000 1.141 427 Y CA 0.259 58.465 58.100 0.177 0.000 1.299 427 Y CB -0.734 37.830 38.460 0.173 0.000 1.030 427 Y HN -0.168 nan 8.280 nan 0.000 0.543 428 Q N 1.029 120.926 119.800 0.162 0.000 2.354 428 Q HA -0.024 4.316 4.340 0.000 0.000 0.310 428 Q C -0.521 175.532 176.000 0.089 0.000 1.104 428 Q CA 0.588 56.439 55.803 0.080 0.000 0.968 428 Q CB 0.708 29.450 28.738 0.007 0.000 1.251 428 Q HN 0.308 nan 8.270 nan 0.000 0.411 429 L N 1.459 122.718 121.223 0.060 0.000 2.360 429 L HA 0.289 4.629 4.340 0.000 0.000 0.271 429 L C 0.828 177.717 176.870 0.031 0.000 1.057 429 L CA -0.075 54.799 54.840 0.056 0.000 0.803 429 L CB 1.238 43.327 42.059 0.051 0.000 1.207 429 L HN 0.776 nan 8.230 nan 0.000 0.445 430 E N 0.000 120.219 120.200 0.032 0.000 2.725 430 E HA 0.000 4.350 4.350 0.000 0.000 0.291 430 E CA 0.000 56.410 56.400 0.016 0.000 0.976 430 E CB 0.000 29.713 29.700 0.021 0.000 0.812 430 E HN 0.000 nan 8.360 nan 0.000 0.440