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 2hnz_1_A DATA FIRST_RESID 4 DATA SEQUENCE PIETVPVKLK PGMDGPKVKQ WPLTEEKIKA LVEICTEMEK EGKISKIGPE DATA SEQUENCE NPYNTPVFAI KXXDSTKWRK LVDFRELNKR TQDFWEVQLG IPHPAGLKKK DATA SEQUENCE KSVTVLDVGD AYFSVPLDED FRKYTAFTIP SINNKXXXXR YQYNVLPQGW DATA SEQUENCE KGSPAIFQSS MTKILEPFRK QNPDIVIYQY MDDLYVGSDL EIGQHRTKIE DATA SEQUENCE ELRQHLLRWG LTTPDKKHQK EPPFLWMGYE LHPDKWTVQP IVLPEKDSWT DATA SEQUENCE VNDIQKLVGK LNWASQIYPG IKVRQLXKLL RGTKALTEVI PLTEEAELEL DATA SEQUENCE AENREILKEP VHGVYYDPSK DLIAEIQKQG QGQWTYQIYQ EPFKNLKTGK DATA SEQUENCE YARMRGAHTN DVKQLTEAVQ KITTESIVIW GKTPKFKLPI QKETWETWWT DATA SEQUENCE EYWQATWIPE WEFVNTPPLV KLWYQLEKEP IVGAETFYVD XXXXXXXXXX DATA SEQUENCE XAGYVTNRGR QKVVTLTDTT NQKTELQAIY LALQDSGLEV NIVTDSQYAL DATA SEQUENCE GIIQAQPDQS ESELVNQIIE QLIKKEKVYL AWVP 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 0.000 177.474 177.300 0.290 0.000 1.155 4 P CA 0.000 63.273 63.100 0.288 0.000 0.800 4 P CB 0.000 31.957 31.700 0.428 0.000 0.726 5 I N 3.196 123.916 120.570 0.251 0.000 2.668 5 I HA 0.072 4.257 4.170 0.025 0.000 0.285 5 I C 0.732 176.871 176.117 0.036 0.000 1.168 5 I CA -0.143 61.183 61.300 0.042 0.000 1.424 5 I CB -0.171 37.755 38.000 -0.124 0.000 1.377 5 I HN 0.107 nan 8.210 nan 0.000 0.560 6 E N 4.622 124.831 120.200 0.015 0.000 2.459 6 E HA -0.053 4.313 4.350 0.025 0.000 0.264 6 E C -0.170 176.434 176.600 0.008 0.000 1.055 6 E CA 0.484 56.894 56.400 0.017 0.000 0.957 6 E CB 0.321 30.024 29.700 0.006 0.000 0.952 6 E HN 0.605 nan 8.360 nan 0.000 0.448 7 T N 1.612 116.179 114.554 0.022 0.000 2.882 7 T HA 0.252 4.617 4.350 0.025 0.000 0.287 7 T C -0.372 174.340 174.700 0.020 0.000 0.992 7 T CA -0.606 61.508 62.100 0.024 0.000 1.076 7 T CB 0.873 69.765 68.868 0.040 0.000 0.961 7 T HN 0.096 nan 8.240 nan 0.000 0.490 8 V N 7.287 127.213 119.914 0.020 0.000 2.383 8 V HA 0.294 4.429 4.120 0.025 0.000 0.275 8 V C -2.094 174.030 176.094 0.051 0.000 1.036 8 V CA -2.031 60.287 62.300 0.029 0.000 0.889 8 V CB 1.101 32.940 31.823 0.027 0.000 0.985 8 V HN 0.741 nan 8.190 nan 0.000 0.459 9 P HA 0.172 nan 4.420 nan 0.000 0.267 9 P C -0.724 176.603 177.300 0.045 0.000 1.209 9 P CA 0.295 63.424 63.100 0.050 0.000 0.763 9 P CB 0.554 32.276 31.700 0.036 0.000 0.816 10 V N 4.473 124.396 119.914 0.016 0.000 2.815 10 V HA 0.584 4.719 4.120 0.025 0.000 0.314 10 V C 0.137 176.176 176.094 -0.093 0.000 1.064 10 V CA -0.624 61.611 62.300 -0.109 0.000 0.952 10 V CB 2.243 33.822 31.823 -0.406 0.000 1.020 10 V HN 0.411 nan 8.190 nan 0.000 0.439 11 K N 2.167 122.483 120.400 -0.140 0.000 2.536 11 K HA 0.624 4.959 4.320 0.025 0.000 0.269 11 K C -1.604 175.000 176.600 0.007 0.000 0.965 11 K CA -0.855 55.443 56.287 0.018 0.000 0.860 11 K CB 2.847 35.345 32.500 -0.003 0.000 1.423 11 K HN 0.426 nan 8.250 nan 0.000 0.438 12 L N 2.025 123.276 121.223 0.046 0.000 2.399 12 L HA 0.319 4.674 4.340 0.025 0.000 0.266 12 L C 0.556 177.401 176.870 -0.042 0.000 1.114 12 L CA -0.611 54.222 54.840 -0.011 0.000 0.804 12 L CB 0.425 42.386 42.059 -0.164 0.000 1.146 12 L HN 0.361 nan 8.230 nan 0.000 0.451 13 K N 1.748 122.122 120.400 -0.043 0.000 2.494 13 K HA 0.035 4.370 4.320 0.025 0.000 0.273 13 K C -2.236 174.347 176.600 -0.028 0.000 0.970 13 K CA -1.249 55.010 56.287 -0.047 0.000 0.963 13 K CB -0.321 32.158 32.500 -0.035 0.000 0.913 13 K HN 0.276 nan 8.250 nan 0.000 0.502 14 P HA -0.111 nan 4.420 nan 0.000 0.261 14 P C 0.694 177.995 177.300 0.002 0.000 1.183 14 P CA 1.149 64.243 63.100 -0.010 0.000 0.761 14 P CB 0.441 32.133 31.700 -0.013 0.000 0.785 15 G N 2.366 111.174 108.800 0.013 0.000 2.320 15 G HA2 -0.284 3.691 3.960 0.025 0.000 0.242 15 G HA3 -0.284 3.691 3.960 0.025 0.000 0.242 15 G C 0.362 175.281 174.900 0.030 0.000 1.033 15 G CA -0.071 45.042 45.100 0.022 0.000 0.620 15 G HN 0.450 nan 8.290 nan 0.000 0.517 16 M N 0.595 120.208 119.600 0.022 0.000 2.202 16 M HA 0.540 5.035 4.480 0.025 0.000 0.316 16 M C -0.003 176.317 176.300 0.034 0.000 1.138 16 M CA 0.061 55.378 55.300 0.028 0.000 1.151 16 M CB 0.842 33.451 32.600 0.015 0.000 1.422 16 M HN 0.278 nan 8.290 nan 0.000 0.471 17 D N -0.378 120.061 120.400 0.065 0.000 2.601 17 D HA 0.501 5.156 4.640 0.025 0.000 0.230 17 D C -0.160 176.208 176.300 0.114 0.000 1.106 17 D CA -0.187 53.889 54.000 0.127 0.000 0.873 17 D CB 1.539 42.476 40.800 0.229 0.000 1.515 17 D HN 0.697 nan 8.370 nan 0.000 0.468 18 G N 1.464 110.303 108.800 0.065 0.000 2.905 18 G HA2 0.164 4.139 3.960 0.025 0.000 0.233 18 G HA3 0.164 4.139 3.960 0.025 0.000 0.233 18 G C -2.137 172.910 174.900 0.245 0.000 1.243 18 G CA -0.660 44.375 45.100 -0.108 0.000 0.856 18 G HN 0.499 nan 8.290 nan 0.000 0.594 19 P HA 0.309 nan 4.420 nan 0.000 0.284 19 P C -0.953 176.523 177.300 0.293 0.000 1.253 19 P CA -0.396 62.846 63.100 0.236 0.000 0.800 19 P CB 1.398 33.212 31.700 0.190 0.000 0.961 20 K N 1.943 122.463 120.400 0.200 0.000 2.800 20 K HA 0.344 4.679 4.320 0.025 0.000 0.185 20 K C -0.780 175.871 176.600 0.085 0.000 1.082 20 K CA -0.516 55.853 56.287 0.136 0.000 0.978 20 K CB 0.973 33.528 32.500 0.091 0.000 1.364 20 K HN 0.206 nan 8.250 nan 0.000 0.592 21 V N 3.207 123.166 119.914 0.074 0.000 2.364 21 V HA 0.109 4.244 4.120 0.025 0.000 0.272 21 V C 0.217 176.306 176.094 -0.008 0.000 1.036 21 V CA -0.855 61.468 62.300 0.039 0.000 0.880 21 V CB 0.805 32.648 31.823 0.032 0.000 0.991 21 V HN 0.523 nan 8.190 nan 0.000 0.460 22 K N 3.970 124.371 120.400 0.002 0.000 2.436 22 K HA 0.170 4.505 4.320 0.025 0.000 0.275 22 K C -0.029 176.520 176.600 -0.085 0.000 0.999 22 K CA -0.335 55.942 56.287 -0.017 0.000 0.980 22 K CB 0.708 33.220 32.500 0.019 0.000 0.919 22 K HN 0.555 nan 8.250 nan 0.000 0.484 23 Q N 3.831 123.558 119.800 -0.120 0.000 2.286 23 Q HA 0.109 4.464 4.340 0.025 0.000 0.267 23 Q C -1.247 174.678 176.000 -0.126 0.000 1.028 23 Q CA -0.237 55.413 55.803 -0.254 0.000 0.901 23 Q CB 0.305 28.941 28.738 -0.169 0.000 1.183 23 Q HN 0.579 nan 8.270 nan 0.000 0.392 24 W N 3.490 124.809 121.300 0.032 0.000 2.093 24 W HA 0.533 5.208 4.660 0.025 0.000 0.352 24 W C -2.305 174.222 176.519 0.014 0.000 1.294 24 W CA -2.672 54.680 57.345 0.012 0.000 1.290 24 W CB -1.075 28.379 29.460 -0.010 0.000 1.149 24 W HN 0.555 nan 8.180 nan 0.000 0.606 25 P HA 0.068 nan 4.420 nan 0.000 0.263 25 P C -0.627 176.800 177.300 0.211 0.000 1.195 25 P CA 0.419 63.632 63.100 0.189 0.000 0.762 25 P CB 0.279 32.049 31.700 0.117 0.000 0.799 26 L N 2.986 124.292 121.223 0.138 0.000 2.333 26 L HA 0.374 4.729 4.340 0.025 0.000 0.280 26 L C 1.084 177.973 176.870 0.033 0.000 1.004 26 L CA -0.831 54.069 54.840 0.100 0.000 0.820 26 L CB 1.713 43.816 42.059 0.074 0.000 1.247 26 L HN 0.351 nan 8.230 nan 0.000 0.416 27 T N -2.008 112.551 114.554 0.009 0.000 2.791 27 T HA -0.066 4.299 4.350 0.025 0.000 0.323 27 T C 0.984 175.663 174.700 -0.035 0.000 1.082 27 T CA -0.079 62.017 62.100 -0.007 0.000 1.084 27 T CB 1.017 69.881 68.868 -0.007 0.000 0.992 27 T HN 0.813 nan 8.240 nan 0.000 0.547 28 E N 0.150 120.338 120.200 -0.019 0.000 2.150 28 E HA -0.200 4.165 4.350 0.025 0.000 0.193 28 E C 1.980 178.550 176.600 -0.050 0.000 0.985 28 E CA 1.238 57.623 56.400 -0.025 0.000 0.814 28 E CB -0.071 29.627 29.700 -0.005 0.000 0.752 28 E HN 0.904 nan 8.360 nan 0.000 0.466 29 E N 0.635 120.805 120.200 -0.050 0.000 2.106 29 E HA -0.208 4.157 4.350 0.025 0.000 0.192 29 E C 1.839 178.282 176.600 -0.262 0.000 0.984 29 E CA 0.963 57.328 56.400 -0.059 0.000 0.806 29 E CB 0.135 29.867 29.700 0.054 0.000 0.750 29 E HN 0.144 nan 8.360 nan 0.000 0.458 30 K N 0.379 120.553 120.400 -0.378 0.000 2.007 30 K HA -0.028 4.307 4.320 0.025 0.000 0.206 30 K C 2.314 178.713 176.600 -0.335 0.000 1.047 30 K CA 1.123 57.045 56.287 -0.608 0.000 0.937 30 K CB -0.173 32.038 32.500 -0.482 0.000 0.718 30 K HN 0.172 nan 8.250 nan 0.000 0.438 31 I N 1.495 121.959 120.570 -0.176 0.000 2.290 31 I HA -0.364 3.821 4.170 0.025 0.000 0.253 31 I C 2.117 178.175 176.117 -0.097 0.000 1.112 31 I CA 1.304 62.545 61.300 -0.098 0.000 1.377 31 I CB -0.132 37.838 38.000 -0.049 0.000 1.060 31 I HN 0.101 nan 8.210 nan 0.000 0.428 32 K N 0.720 121.051 120.400 -0.114 0.000 2.031 32 K HA -0.021 4.314 4.320 0.025 0.000 0.205 32 K C 2.166 178.710 176.600 -0.094 0.000 1.049 32 K CA 1.443 57.685 56.287 -0.075 0.000 0.939 32 K CB -0.560 31.913 32.500 -0.044 0.000 0.717 32 K HN 0.288 nan 8.250 nan 0.000 0.438 33 A N 0.830 123.531 122.820 -0.198 0.000 1.917 33 A HA -0.182 4.153 4.320 0.025 0.000 0.219 33 A C 2.126 179.637 177.584 -0.122 0.000 1.182 33 A CA 1.610 53.530 52.037 -0.195 0.000 0.633 33 A CB -0.790 17.835 19.000 -0.626 0.000 0.819 33 A HN 0.219 nan 8.150 nan 0.000 0.448 34 L N -0.690 120.444 121.223 -0.149 0.000 1.988 34 L HA -0.140 4.215 4.340 0.025 0.000 0.207 34 L C 2.470 179.306 176.870 -0.058 0.000 1.071 34 L CA 1.238 56.021 54.840 -0.096 0.000 0.744 34 L CB -0.927 41.080 42.059 -0.085 0.000 0.893 34 L HN 0.224 nan 8.230 nan 0.000 0.433 35 V N 0.170 120.065 119.914 -0.033 0.000 2.527 35 V HA -0.327 3.808 4.120 0.025 0.000 0.255 35 V C 2.438 178.536 176.094 0.006 0.000 1.081 35 V CA 2.038 64.342 62.300 0.007 0.000 1.092 35 V CB -0.645 31.189 31.823 0.018 0.000 0.673 35 V HN 0.506 nan 8.190 nan 0.000 0.470 36 E N -0.179 120.016 120.200 -0.008 0.000 2.033 36 E HA -0.147 4.218 4.350 0.025 0.000 0.189 36 E C 2.283 178.878 176.600 -0.008 0.000 0.979 36 E CA 1.043 57.444 56.400 0.002 0.000 0.802 36 E CB 0.028 29.735 29.700 0.012 0.000 0.763 36 E HN 0.431 nan 8.360 nan 0.000 0.449 37 I N 1.271 121.827 120.570 -0.024 0.000 2.127 37 I HA -0.319 3.866 4.170 0.025 0.000 0.241 37 I C 2.603 178.680 176.117 -0.067 0.000 1.075 37 I CA 0.945 62.221 61.300 -0.040 0.000 1.334 37 I CB -1.440 36.532 38.000 -0.048 0.000 1.040 37 I HN 0.386 nan 8.210 nan 0.000 0.405 38 C N 0.400 119.634 119.300 -0.111 0.000 2.436 38 C HA -0.150 4.325 4.460 0.025 0.000 0.277 38 C C 3.005 177.927 174.990 -0.114 0.000 1.241 38 C CA 1.376 60.255 59.018 -0.233 0.000 1.721 38 C CB -1.196 26.257 27.740 -0.479 0.000 2.043 38 C HN 0.521 nan 8.230 nan 0.000 0.472 39 T N 0.575 115.135 114.554 0.010 0.000 2.721 39 T HA -0.241 4.124 4.350 0.025 0.000 0.268 39 T C 1.664 176.399 174.700 0.059 0.000 1.038 39 T CA 2.189 64.348 62.100 0.098 0.000 1.145 39 T CB -0.360 68.553 68.868 0.074 0.000 0.858 39 T HN 0.675 nan 8.240 nan 0.000 0.459 40 E N 1.337 121.548 120.200 0.019 0.000 2.017 40 E HA -0.075 4.291 4.350 0.025 0.000 0.193 40 E C 2.025 178.635 176.600 0.018 0.000 0.997 40 E CA 1.475 57.881 56.400 0.011 0.000 0.804 40 E CB -0.433 29.261 29.700 -0.010 0.000 0.757 40 E HN 0.491 nan 8.360 nan 0.000 0.448 41 M N 0.174 119.777 119.600 0.005 0.000 2.539 41 M HA -0.086 4.409 4.480 0.025 0.000 0.261 41 M C 2.085 178.426 176.300 0.068 0.000 1.069 41 M CA 1.434 56.753 55.300 0.031 0.000 1.081 41 M CB -0.185 32.423 32.600 0.013 0.000 1.412 41 M HN 0.249 nan 8.290 nan 0.000 0.482 42 E N 0.882 121.136 120.200 0.089 0.000 2.250 42 E HA -0.091 4.274 4.350 0.025 0.000 0.192 42 E C 1.783 178.437 176.600 0.090 0.000 0.986 42 E CA 0.608 57.092 56.400 0.140 0.000 0.849 42 E CB 0.320 30.161 29.700 0.234 0.000 0.797 42 E HN 0.399 nan 8.360 nan 0.000 0.482 43 K N 0.482 120.923 120.400 0.069 0.000 2.103 43 K HA -0.074 4.261 4.320 0.025 0.000 0.204 43 K C 1.355 177.984 176.600 0.049 0.000 1.052 43 K CA 1.106 57.423 56.287 0.049 0.000 0.945 43 K CB 0.101 32.622 32.500 0.036 0.000 0.722 43 K HN 0.125 nan 8.250 nan 0.000 0.443 44 E N -0.288 119.944 120.200 0.054 0.000 2.416 44 E HA 0.013 4.378 4.350 0.025 0.000 0.189 44 E C 0.738 177.388 176.600 0.082 0.000 1.091 44 E CA 0.183 56.619 56.400 0.060 0.000 0.889 44 E CB 0.235 29.968 29.700 0.054 0.000 1.015 44 E HN 0.482 nan 8.360 nan 0.000 0.479 45 G N 1.618 110.468 108.800 0.083 0.000 2.257 45 G HA2 -0.443 3.532 3.960 0.025 0.000 0.267 45 G HA3 -0.443 3.532 3.960 0.025 0.000 0.267 45 G C 1.070 176.042 174.900 0.120 0.000 0.984 45 G CA 1.041 46.196 45.100 0.092 0.000 0.626 45 G HN 0.318 nan 8.290 nan 0.000 0.540 46 K N 0.058 120.546 120.400 0.147 0.000 2.209 46 K HA 0.185 4.520 4.320 0.025 0.000 0.204 46 K C 1.459 178.174 176.600 0.192 0.000 1.048 46 K CA 1.499 57.909 56.287 0.206 0.000 0.940 46 K CB -0.094 32.575 32.500 0.282 0.000 0.729 46 K HN 0.852 nan 8.250 nan 0.000 0.451 47 I N -4.979 115.670 120.570 0.133 0.000 3.191 47 I HA 0.461 4.646 4.170 0.025 0.000 0.313 47 I C -1.148 175.061 176.117 0.154 0.000 1.193 47 I CA -1.100 60.268 61.300 0.113 0.000 0.968 47 I CB 2.696 40.716 38.000 0.034 0.000 1.262 47 I HN -0.388 nan 8.210 nan 0.000 0.456 48 S N 1.074 116.870 115.700 0.159 0.000 2.592 48 S HA 0.349 4.834 4.470 0.025 0.000 0.275 48 S C -0.974 173.587 174.600 -0.065 0.000 1.169 48 S CA -0.888 57.357 58.200 0.075 0.000 0.958 48 S CB 1.761 64.980 63.200 0.030 0.000 1.095 48 S HN 0.535 nan 8.310 nan 0.000 0.471 49 K N 2.526 122.771 120.400 -0.257 0.000 2.524 49 K HA 0.210 4.545 4.320 0.025 0.000 0.279 49 K C 0.160 176.598 176.600 -0.269 0.000 0.993 49 K CA 0.425 56.418 56.287 -0.490 0.000 1.030 49 K CB 0.032 32.251 32.500 -0.469 0.000 0.891 49 K HN 0.625 nan 8.250 nan 0.000 0.488 50 I N -1.830 118.581 120.570 -0.266 0.000 3.067 50 I HA 0.568 4.753 4.170 0.025 0.000 0.312 50 I C 0.249 176.271 176.117 -0.157 0.000 1.073 50 I CA -1.262 59.937 61.300 -0.168 0.000 1.016 50 I CB 1.830 39.751 38.000 -0.131 0.000 1.227 50 I HN 0.478 nan 8.210 nan 0.000 0.456 51 G N 1.468 110.199 108.800 -0.116 0.000 2.420 51 G HA2 0.476 4.451 3.960 0.025 0.000 0.284 51 G HA3 0.476 4.451 3.960 0.025 0.000 0.284 51 G C -2.225 172.616 174.900 -0.099 0.000 1.177 51 G CA -1.400 43.639 45.100 -0.102 0.000 0.841 51 G HN 0.567 nan 8.290 nan 0.000 0.527 52 P HA -0.033 nan 4.420 nan 0.000 0.296 52 P C 0.945 178.194 177.300 -0.086 0.000 1.447 52 P CA 0.644 63.691 63.100 -0.089 0.000 0.750 52 P CB 0.176 31.828 31.700 -0.080 0.000 1.451 53 E N -0.314 119.835 120.200 -0.085 0.000 2.250 53 E HA -0.077 4.289 4.350 0.025 0.000 0.192 53 E C 0.698 177.232 176.600 -0.109 0.000 0.986 53 E CA -0.050 56.299 56.400 -0.085 0.000 0.849 53 E CB -0.092 29.566 29.700 -0.070 0.000 0.797 53 E HN 0.040 nan 8.360 nan 0.000 0.482 54 N N 2.365 121.003 118.700 -0.103 0.000 2.402 54 N HA 0.026 4.781 4.740 0.025 0.000 0.259 54 N C -1.800 173.614 175.510 -0.160 0.000 1.167 54 N CA -1.223 51.764 53.050 -0.106 0.000 0.949 54 N CB 1.376 39.835 38.487 -0.046 0.000 1.212 54 N HN 0.170 nan 8.380 nan 0.000 0.493 55 P HA 0.030 nan 4.420 nan 0.000 0.253 55 P C -0.663 176.440 177.300 -0.328 0.000 1.260 55 P CA 0.124 63.026 63.100 -0.331 0.000 0.800 55 P CB -0.057 31.402 31.700 -0.403 0.000 1.162 56 Y N 0.957 121.247 120.300 -0.017 0.000 2.320 56 Y HA 0.548 5.113 4.550 0.025 0.000 0.324 56 Y C 0.905 176.817 175.900 0.020 0.000 1.190 56 Y CA -0.460 57.652 58.100 0.020 0.000 1.215 56 Y CB 0.769 39.245 38.460 0.028 0.000 1.221 56 Y HN -0.093 nan 8.280 nan 0.000 0.486 57 N N -0.486 118.348 118.700 0.223 0.000 2.516 57 N HA 0.365 5.120 4.740 0.025 0.000 0.268 57 N C -1.916 173.660 175.510 0.109 0.000 1.096 57 N CA -0.446 52.684 53.050 0.133 0.000 0.954 57 N CB 1.659 40.178 38.487 0.054 0.000 1.676 57 N HN 0.504 nan 8.380 nan 0.000 0.490 58 T N 3.824 118.428 114.554 0.084 0.000 2.847 58 T HA 0.496 4.862 4.350 0.025 0.000 0.291 58 T C -2.760 171.852 174.700 -0.146 0.000 0.998 58 T CA -0.942 61.145 62.100 -0.021 0.000 0.967 58 T CB 1.830 70.664 68.868 -0.056 0.000 0.954 58 T HN 0.364 nan 8.240 nan 0.000 0.441 59 P HA 0.164 nan 4.420 nan 0.000 0.265 59 P C -0.783 176.259 177.300 -0.430 0.000 1.193 59 P CA -0.134 62.612 63.100 -0.590 0.000 0.765 59 P CB 0.721 31.708 31.700 -1.188 0.000 0.823 60 V N 4.517 124.225 119.914 -0.342 0.000 2.815 60 V HA 0.678 4.813 4.120 0.025 0.000 0.314 60 V C 0.062 176.267 176.094 0.185 0.000 1.064 60 V CA -0.470 61.747 62.300 -0.138 0.000 0.952 60 V CB 1.401 33.121 31.823 -0.171 0.000 1.020 60 V HN 0.616 nan 8.190 nan 0.000 0.439 61 F N 0.561 120.564 119.950 0.087 0.000 2.641 61 F HA 0.925 5.467 4.527 0.025 0.000 0.308 61 F C -0.275 175.594 175.800 0.114 0.000 1.105 61 F CA -1.170 56.968 58.000 0.231 0.000 0.964 61 F CB 1.309 40.613 39.000 0.508 0.000 1.294 61 F HN 0.625 nan 8.300 nan 0.000 0.442 62 A N 3.163 126.074 122.820 0.152 0.000 2.303 62 A HA 0.870 5.205 4.320 0.025 0.000 0.317 62 A C -0.877 176.889 177.584 0.303 0.000 1.149 62 A CA -0.727 51.355 52.037 0.075 0.000 0.822 62 A CB 0.721 19.617 19.000 -0.174 0.000 1.131 62 A HN 0.793 nan 8.150 nan 0.000 0.493 63 I N 1.633 122.411 120.570 0.345 0.000 2.647 63 I HA 0.282 4.467 4.170 0.025 0.000 0.295 63 I C 0.078 176.383 176.117 0.314 0.000 1.078 63 I CA -0.754 60.758 61.300 0.353 0.000 1.048 63 I CB 2.353 40.471 38.000 0.197 0.000 1.239 63 I HN 0.687 nan 8.210 nan 0.000 0.421 68 S N -1.977 113.671 115.700 -0.087 0.000 2.552 68 S HA 0.317 4.803 4.470 0.025 0.000 0.271 68 S C 1.412 175.920 174.600 -0.153 0.000 1.168 68 S CA -0.179 57.963 58.200 -0.096 0.000 1.026 68 S CB 0.608 63.766 63.200 -0.071 0.000 1.120 68 S HN 0.007 nan 8.310 nan 0.000 0.514 69 T N 0.251 114.721 114.554 -0.140 0.000 3.023 69 T HA 0.150 4.515 4.350 0.025 0.000 0.266 69 T C 0.849 175.385 174.700 -0.274 0.000 1.093 69 T CA 0.709 62.696 62.100 -0.188 0.000 1.129 69 T CB -0.294 68.516 68.868 -0.096 0.000 0.899 69 T HN 0.441 nan 8.240 nan 0.000 0.491 70 K N -0.389 119.910 120.400 -0.168 0.000 2.140 70 K HA 0.305 4.640 4.320 0.025 0.000 0.237 70 K C -0.869 175.619 176.600 -0.186 0.000 1.045 70 K CA -0.585 55.659 56.287 -0.070 0.000 0.896 70 K CB 0.527 33.054 32.500 0.044 0.000 1.122 70 K HN 0.096 nan 8.250 nan 0.000 0.503 71 W N -0.042 121.250 121.300 -0.014 0.000 3.075 71 W HA 0.552 5.227 4.660 0.025 0.000 0.334 71 W C -0.439 176.061 176.519 -0.032 0.000 1.288 71 W CA -0.672 56.665 57.345 -0.014 0.000 1.095 71 W CB 0.591 30.049 29.460 -0.004 0.000 1.564 71 W HN 0.336 nan 8.180 nan 0.000 0.629 72 R N 1.160 121.804 120.500 0.240 0.000 2.651 72 R HA 0.319 4.674 4.340 0.025 0.000 0.278 72 R C -0.936 175.385 176.300 0.034 0.000 1.010 72 R CA -0.979 55.174 56.100 0.088 0.000 0.896 72 R CB 1.934 32.257 30.300 0.039 0.000 1.211 72 R HN 0.494 nan 8.270 nan 0.000 0.456 73 K N 3.724 124.105 120.400 -0.031 0.000 2.276 73 K HA 0.202 4.538 4.320 0.025 0.000 0.283 73 K C -1.268 175.226 176.600 -0.176 0.000 1.044 73 K CA -0.378 55.837 56.287 -0.119 0.000 0.944 73 K CB 0.693 33.114 32.500 -0.132 0.000 1.012 73 K HN 0.292 nan 8.250 nan 0.000 0.472 74 L N 6.111 127.112 121.223 -0.371 0.000 2.377 74 L HA 0.301 4.656 4.340 0.025 0.000 0.270 74 L C -1.439 175.036 176.870 -0.658 0.000 0.991 74 L CA -0.593 53.952 54.840 -0.492 0.000 0.851 74 L CB 1.650 43.311 42.059 -0.664 0.000 1.218 74 L HN 0.372 nan 8.230 nan 0.000 0.420 75 V N 3.469 123.156 119.914 -0.378 0.000 2.432 75 V HA 0.269 4.404 4.120 0.025 0.000 0.275 75 V C -0.134 175.761 176.094 -0.333 0.000 1.043 75 V CA -0.601 61.425 62.300 -0.456 0.000 0.925 75 V CB 1.337 32.788 31.823 -0.619 0.000 0.985 75 V HN 0.711 nan 8.190 nan 0.000 0.466 76 D N 3.560 123.877 120.400 -0.138 0.000 2.393 76 D HA 0.233 4.888 4.640 0.025 0.000 0.232 76 D C 0.252 176.514 176.300 -0.063 0.000 1.192 76 D CA -0.051 54.017 54.000 0.114 0.000 0.882 76 D CB 0.251 41.301 40.800 0.416 0.000 1.038 76 D HN 0.442 nan 8.370 nan 0.000 0.499 77 F N 2.189 122.247 119.950 0.179 0.000 2.732 77 F HA 0.215 4.757 4.527 0.025 0.000 0.303 77 F C 2.097 178.009 175.800 0.186 0.000 1.110 77 F CA -0.455 57.657 58.000 0.185 0.000 1.355 77 F CB 0.232 39.368 39.000 0.226 0.000 1.081 77 F HN 0.246 nan 8.300 nan 0.000 0.565 78 R N 0.420 121.104 120.500 0.305 0.000 2.134 78 R HA -0.222 4.133 4.340 0.025 0.000 0.248 78 R C 1.947 178.376 176.300 0.216 0.000 1.143 78 R CA 1.781 58.019 56.100 0.230 0.000 0.957 78 R CB -0.370 30.040 30.300 0.183 0.000 0.867 78 R HN 0.231 nan 8.270 nan 0.000 0.441 79 E N 0.680 121.008 120.200 0.214 0.000 2.031 79 E HA -0.170 4.196 4.350 0.025 0.000 0.193 79 E C 2.008 178.737 176.600 0.214 0.000 0.994 79 E CA 0.825 57.336 56.400 0.186 0.000 0.800 79 E CB -0.450 29.348 29.700 0.162 0.000 0.752 79 E HN 0.115 nan 8.360 nan 0.000 0.447 80 L N 2.230 123.632 121.223 0.298 0.000 1.971 80 L HA -0.244 4.111 4.340 0.025 0.000 0.215 80 L C 1.687 178.752 176.870 0.326 0.000 1.072 80 L CA 1.887 56.928 54.840 0.335 0.000 0.758 80 L CB -1.045 41.312 42.059 0.497 0.000 0.889 80 L HN 0.049 nan 8.230 nan 0.000 0.433 81 N N 0.115 119.015 118.700 0.332 0.000 2.060 81 N HA -0.244 4.511 4.740 0.025 0.000 0.195 81 N C 1.782 177.361 175.510 0.116 0.000 1.028 81 N CA 1.786 54.948 53.050 0.186 0.000 0.861 81 N CB -0.339 38.235 38.487 0.145 0.000 1.029 81 N HN 0.464 nan 8.380 nan 0.000 0.428 82 K N 0.360 120.833 120.400 0.122 0.000 2.209 82 K HA -0.018 4.317 4.320 0.025 0.000 0.204 82 K C 1.792 178.432 176.600 0.066 0.000 1.048 82 K CA 0.908 57.243 56.287 0.080 0.000 0.940 82 K CB 0.004 32.554 32.500 0.084 0.000 0.729 82 K HN 0.224 nan 8.250 nan 0.000 0.451 83 R N -0.101 120.455 120.500 0.093 0.000 2.290 83 R HA 0.070 4.425 4.340 0.025 0.000 0.197 83 R C 0.286 176.624 176.300 0.063 0.000 0.913 83 R CA 0.221 56.360 56.100 0.064 0.000 1.040 83 R CB 0.505 30.839 30.300 0.057 0.000 0.992 83 R HN -0.041 nan 8.270 nan 0.000 0.500 84 T N 2.637 117.263 114.554 0.121 0.000 2.869 84 T HA 0.043 4.408 4.350 0.025 0.000 0.295 84 T C 0.031 174.685 174.700 -0.078 0.000 0.987 84 T CA -0.436 61.737 62.100 0.122 0.000 1.109 84 T CB 1.236 70.280 68.868 0.294 0.000 0.932 84 T HN 0.240 nan 8.240 nan 0.000 0.518 85 Q N 2.749 122.426 119.800 -0.204 0.000 2.450 85 Q HA 0.003 4.358 4.340 0.025 0.000 0.294 85 Q C -0.733 174.934 176.000 -0.554 0.000 1.129 85 Q CA -0.100 55.483 55.803 -0.367 0.000 0.970 85 Q CB 0.394 28.846 28.738 -0.477 0.000 1.294 85 Q HN 0.438 nan 8.270 nan 0.000 0.453 86 D N 0.878 121.028 120.400 -0.415 0.000 2.344 86 D HA 0.323 4.978 4.640 0.025 0.000 0.244 86 D C -0.697 175.288 176.300 -0.525 0.000 1.134 86 D CA 0.129 53.936 54.000 -0.323 0.000 0.930 86 D CB 0.424 41.132 40.800 -0.153 0.000 1.175 86 D HN 0.376 nan 8.370 nan 0.000 0.437 87 F N -0.603 119.273 119.950 -0.123 0.000 2.618 87 F HA 0.261 4.803 4.527 0.025 0.000 0.332 87 F C 0.202 176.015 175.800 0.021 0.000 1.061 87 F CA -1.223 56.731 58.000 -0.075 0.000 0.974 87 F CB 1.049 39.951 39.000 -0.164 0.000 1.310 87 F HN 0.271 nan 8.300 nan 0.000 0.491 88 W N 3.746 125.108 121.300 0.103 0.000 2.724 88 W HA 0.080 4.755 4.660 0.025 0.000 0.347 88 W C 0.055 176.576 176.519 0.003 0.000 1.338 88 W CA -0.164 57.194 57.345 0.020 0.000 1.450 88 W CB 0.124 29.584 29.460 0.001 0.000 1.534 88 W HN 0.568 nan 8.180 nan 0.000 0.508 89 E N 2.878 122.818 120.200 -0.434 0.000 2.653 89 E HA -0.118 4.247 4.350 0.025 0.000 0.264 89 E C 0.599 176.930 176.600 -0.450 0.000 0.949 89 E CA 0.162 56.316 56.400 -0.409 0.000 0.953 89 E CB 0.976 30.433 29.700 -0.405 0.000 0.925 89 E HN 0.446 nan 8.360 nan 0.000 0.475 90 V N 2.116 121.872 119.914 -0.263 0.000 3.096 90 V HA 0.004 4.139 4.120 0.025 0.000 0.306 90 V C 0.400 176.383 176.094 -0.185 0.000 1.088 90 V CA -0.783 61.398 62.300 -0.198 0.000 1.129 90 V CB 1.141 32.876 31.823 -0.148 0.000 1.014 90 V HN 0.570 nan 8.190 nan 0.000 0.486 91 Q N 1.310 121.042 119.800 -0.113 0.000 2.308 91 Q HA -0.002 4.353 4.340 0.025 0.000 0.313 91 Q C 0.365 176.349 176.000 -0.027 0.000 1.075 91 Q CA 0.566 56.338 55.803 -0.050 0.000 0.995 91 Q CB 0.669 29.427 28.738 0.033 0.000 1.107 91 Q HN 0.870 nan 8.270 nan 0.000 0.380 92 L N 2.897 124.099 121.223 -0.036 0.000 2.221 92 L HA 0.195 4.551 4.340 0.025 0.000 0.202 92 L C 0.905 177.799 176.870 0.040 0.000 1.074 92 L CA 1.338 56.170 54.840 -0.014 0.000 0.795 92 L CB -0.318 41.712 42.059 -0.049 0.000 0.960 92 L HN 0.656 nan 8.230 nan 0.000 0.458 93 G N -0.041 108.784 108.800 0.042 0.000 2.420 93 G HA2 0.477 4.453 3.960 0.025 0.000 0.284 93 G HA3 0.477 4.453 3.960 0.025 0.000 0.284 93 G C -0.587 174.375 174.900 0.105 0.000 1.177 93 G CA -0.328 44.806 45.100 0.057 0.000 0.841 93 G HN 0.300 nan 8.290 nan 0.000 0.527 94 I N -0.038 120.572 120.570 0.068 0.000 2.460 94 I HA 0.599 4.784 4.170 0.025 0.000 0.298 94 I C -2.361 173.760 176.117 0.007 0.000 0.989 94 I CA -2.500 58.840 61.300 0.068 0.000 1.173 94 I CB 1.820 39.744 38.000 -0.126 0.000 1.338 94 I HN 0.171 nan 8.210 nan 0.000 0.456 95 P HA 0.069 nan 4.420 nan 0.000 0.267 95 P C -0.899 176.330 177.300 -0.117 0.000 1.205 95 P CA 0.254 63.290 63.100 -0.107 0.000 0.765 95 P CB 0.208 31.756 31.700 -0.254 0.000 0.828 96 H N 4.768 123.666 119.070 -0.286 0.000 2.548 96 H HA 0.148 4.719 4.556 0.025 0.000 0.331 96 H C -1.690 173.338 175.328 -0.501 0.000 1.093 96 H CA -2.068 53.740 56.048 -0.400 0.000 1.367 96 H CB 1.091 30.617 29.762 -0.393 0.000 1.455 96 H HN 0.233 nan 8.280 nan 0.000 0.519 97 P HA -0.189 nan 4.420 nan 0.000 0.216 97 P C 1.090 178.194 177.300 -0.326 0.000 1.157 97 P CA 2.469 65.258 63.100 -0.518 0.000 0.880 97 P CB -0.019 31.076 31.700 -1.010 0.000 0.791 98 A N -0.623 121.980 122.820 -0.361 0.000 2.139 98 A HA -0.092 4.243 4.320 0.025 0.000 0.221 98 A C 2.142 179.790 177.584 0.107 0.000 1.159 98 A CA 1.852 53.838 52.037 -0.086 0.000 0.662 98 A CB -1.597 17.381 19.000 -0.037 0.000 0.796 98 A HN 0.338 nan 8.150 nan 0.000 0.463 99 G N -1.174 107.526 108.800 -0.168 0.000 3.189 99 G HA2 0.429 4.404 3.960 0.025 0.000 0.225 99 G HA3 0.429 4.404 3.960 0.025 0.000 0.225 99 G C 0.369 175.255 174.900 -0.023 0.000 1.159 99 G CA -0.297 44.672 45.100 -0.218 0.000 0.763 99 G HN 0.378 nan 8.290 nan 0.000 0.549 100 L N -0.213 120.999 121.223 -0.018 0.000 2.387 100 L HA 0.538 4.893 4.340 0.025 0.000 0.266 100 L C 0.212 177.087 176.870 0.008 0.000 1.059 100 L CA -0.982 53.778 54.840 -0.134 0.000 0.801 100 L CB 1.422 43.202 42.059 -0.464 0.000 1.223 100 L HN -0.079 nan 8.230 nan 0.000 0.456 101 K N 0.323 120.680 120.400 -0.071 0.000 2.210 101 K HA 0.413 4.748 4.320 0.025 0.000 0.236 101 K C -0.790 175.760 176.600 -0.084 0.000 1.016 101 K CA -1.013 55.296 56.287 0.036 0.000 0.913 101 K CB 1.329 33.842 32.500 0.022 0.000 1.141 101 K HN 0.453 nan 8.250 nan 0.000 0.462 102 K N 0.892 121.362 120.400 0.117 0.000 2.138 102 K HA 0.291 4.626 4.320 0.025 0.000 0.251 102 K C -0.390 176.234 176.600 0.040 0.000 1.015 102 K CA -0.554 55.847 56.287 0.190 0.000 0.917 102 K CB 0.579 33.253 32.500 0.290 0.000 1.021 102 K HN 0.207 nan 8.250 nan 0.000 0.485 103 K N 1.062 121.491 120.400 0.049 0.000 2.532 103 K HA 0.142 4.477 4.320 0.025 0.000 0.265 103 K C -0.099 176.515 176.600 0.023 0.000 0.948 103 K CA -0.808 55.486 56.287 0.012 0.000 0.842 103 K CB 1.990 34.471 32.500 -0.032 0.000 1.392 103 K HN 0.606 nan 8.250 nan 0.000 0.436 104 K N 0.542 120.938 120.400 -0.008 0.000 2.029 104 K HA 0.103 4.438 4.320 0.025 0.000 0.205 104 K C 0.216 176.763 176.600 -0.087 0.000 1.042 104 K CA 1.170 57.444 56.287 -0.022 0.000 0.949 104 K CB 0.236 32.727 32.500 -0.015 0.000 0.740 104 K HN 0.514 nan 8.250 nan 0.000 0.442 105 S N -0.288 115.283 115.700 -0.214 0.000 2.568 105 S HA 0.613 5.098 4.470 0.025 0.000 0.302 105 S C -1.292 173.069 174.600 -0.400 0.000 1.082 105 S CA -0.987 56.958 58.200 -0.425 0.000 1.009 105 S CB 2.568 65.227 63.200 -0.902 0.000 1.069 105 S HN -0.031 nan 8.310 nan 0.000 0.500 106 V N 1.858 121.640 119.914 -0.221 0.000 2.777 106 V HA 0.648 4.783 4.120 0.025 0.000 0.306 106 V C -0.852 175.322 176.094 0.134 0.000 1.112 106 V CA -0.473 61.838 62.300 0.019 0.000 0.917 106 V CB 2.435 34.354 31.823 0.160 0.000 1.018 106 V HN 1.037 nan 8.190 nan 0.000 0.426 107 T N 3.199 117.882 114.554 0.214 0.000 2.912 107 T HA 0.634 4.999 4.350 0.025 0.000 0.299 107 T C -0.705 174.056 174.700 0.100 0.000 1.052 107 T CA -0.655 61.561 62.100 0.193 0.000 0.996 107 T CB 1.916 70.916 68.868 0.220 0.000 1.070 107 T HN 0.781 nan 8.240 nan 0.000 0.465 108 V N 0.916 120.845 119.914 0.025 0.000 2.417 108 V HA 0.821 4.956 4.120 0.025 0.000 0.291 108 V C -1.197 174.813 176.094 -0.140 0.000 1.024 108 V CA -0.984 61.160 62.300 -0.260 0.000 0.861 108 V CB 1.023 32.583 31.823 -0.438 0.000 0.985 108 V HN 0.596 nan 8.190 nan 0.000 0.436 109 L N 3.961 125.099 121.223 -0.141 0.000 2.298 109 L HA 0.593 4.948 4.340 0.025 0.000 0.284 109 L C -0.013 176.837 176.870 -0.033 0.000 1.013 109 L CA 0.043 54.854 54.840 -0.048 0.000 0.824 109 L CB 1.099 43.148 42.059 -0.016 0.000 1.221 109 L HN 0.683 nan 8.230 nan 0.000 0.418 110 D N 1.925 122.320 120.400 -0.008 0.000 2.351 110 D HA 0.215 4.870 4.640 0.025 0.000 0.251 110 D C -0.382 175.934 176.300 0.027 0.000 1.137 110 D CA 0.121 54.128 54.000 0.012 0.000 0.879 110 D CB 1.692 42.500 40.800 0.013 0.000 1.181 110 D HN 0.125 nan 8.370 nan 0.000 0.448 111 V N 3.437 123.376 119.914 0.041 0.000 2.217 111 V HA 0.341 4.476 4.120 0.025 0.000 0.264 111 V C 1.116 177.210 176.094 -0.000 0.000 1.107 111 V CA -0.911 61.422 62.300 0.055 0.000 0.913 111 V CB 0.813 32.722 31.823 0.143 0.000 1.153 111 V HN 0.570 nan 8.190 nan 0.000 0.469 112 G N 1.967 110.765 108.800 -0.004 0.000 2.414 112 G HA2 0.215 4.190 3.960 0.025 0.000 0.236 112 G HA3 0.215 4.190 3.960 0.025 0.000 0.236 112 G C 0.266 175.155 174.900 -0.019 0.000 1.293 112 G CA -0.075 45.008 45.100 -0.028 0.000 0.869 112 G HN 0.800 nan 8.290 nan 0.000 0.556 113 D N 0.430 120.816 120.400 -0.022 0.000 2.697 113 D HA -0.252 4.404 4.640 0.025 0.000 0.235 113 D C 1.575 177.949 176.300 0.124 0.000 1.167 113 D CA 0.876 54.947 54.000 0.118 0.000 0.656 113 D CB -0.997 39.812 40.800 0.015 0.000 1.025 113 D HN 0.663 nan 8.370 nan 0.000 0.419 114 A N 0.112 122.864 122.820 -0.112 0.000 1.837 114 A HA -0.231 4.104 4.320 0.025 0.000 0.216 114 A C 1.901 179.432 177.584 -0.088 0.000 1.210 114 A CA 1.698 53.550 52.037 -0.309 0.000 0.632 114 A CB -1.068 17.265 19.000 -1.112 0.000 0.843 114 A HN 0.583 nan 8.150 nan 0.000 0.448 115 Y N -1.851 118.189 120.300 -0.433 0.000 2.283 115 Y HA -0.287 4.278 4.550 0.025 0.000 0.285 115 Y C 2.174 177.905 175.900 -0.283 0.000 1.176 115 Y CA 0.713 58.614 58.100 -0.332 0.000 1.229 115 Y CB -0.499 37.702 38.460 -0.431 0.000 0.975 115 Y HN 0.333 nan 8.280 nan 0.000 0.537 116 F N -0.111 119.892 119.950 0.089 0.000 2.407 116 F HA -0.161 4.381 4.527 0.025 0.000 0.299 116 F C 2.390 178.246 175.800 0.093 0.000 1.097 116 F CA 1.273 59.323 58.000 0.083 0.000 1.422 116 F CB -0.271 38.754 39.000 0.042 0.000 1.067 116 F HN -0.029 nan 8.300 nan 0.000 0.539 117 S N -1.562 114.281 115.700 0.239 0.000 2.556 117 S HA 0.220 4.705 4.470 0.025 0.000 0.216 117 S C 0.227 174.932 174.600 0.175 0.000 0.970 117 S CA -0.232 58.089 58.200 0.202 0.000 0.912 117 S CB -0.455 62.865 63.200 0.201 0.000 0.790 117 S HN -0.098 nan 8.310 nan 0.000 0.504 118 V N 3.679 123.682 119.914 0.148 0.000 2.370 118 V HA 0.446 4.581 4.120 0.025 0.000 0.283 118 V C -2.522 173.614 176.094 0.069 0.000 1.023 118 V CA -2.265 60.102 62.300 0.112 0.000 0.857 118 V CB 1.248 33.145 31.823 0.122 0.000 0.985 118 V HN 0.143 nan 8.190 nan 0.000 0.443 119 P HA 0.034 nan 4.420 nan 0.000 0.267 119 P C -0.795 176.523 177.300 0.031 0.000 1.195 119 P CA 0.021 63.157 63.100 0.060 0.000 0.773 119 P CB 0.450 32.189 31.700 0.064 0.000 0.837 120 L N 2.209 123.450 121.223 0.030 0.000 2.334 120 L HA 0.478 4.833 4.340 0.025 0.000 0.276 120 L C -0.408 176.491 176.870 0.048 0.000 1.014 120 L CA -0.941 53.901 54.840 0.003 0.000 0.815 120 L CB 1.379 43.412 42.059 -0.044 0.000 1.268 120 L HN 0.179 nan 8.230 nan 0.000 0.428 121 D N 2.130 122.568 120.400 0.062 0.000 2.520 121 D HA -0.080 4.575 4.640 0.025 0.000 0.243 121 D C 1.125 177.504 176.300 0.132 0.000 1.160 121 D CA 0.747 54.807 54.000 0.100 0.000 0.877 121 D CB 0.967 41.837 40.800 0.116 0.000 1.150 121 D HN 0.717 nan 8.370 nan 0.000 0.494 122 E N 3.095 123.353 120.200 0.097 0.000 2.086 122 E HA -0.284 4.081 4.350 0.025 0.000 0.200 122 E C 0.807 177.459 176.600 0.088 0.000 1.012 122 E CA 2.227 58.675 56.400 0.080 0.000 0.812 122 E CB -0.251 29.485 29.700 0.060 0.000 0.743 122 E HN 0.645 nan 8.360 nan 0.000 0.453 123 D N -1.212 119.260 120.400 0.121 0.000 2.310 123 D HA -0.061 4.594 4.640 0.025 0.000 0.212 123 D C 1.063 177.486 176.300 0.205 0.000 0.965 123 D CA 0.763 54.843 54.000 0.133 0.000 0.879 123 D CB -0.192 40.704 40.800 0.160 0.000 0.921 123 D HN 0.261 nan 8.370 nan 0.000 0.510 124 F N 0.859 120.856 119.950 0.077 0.000 2.446 124 F HA 0.189 4.731 4.527 0.025 0.000 0.292 124 F C 1.839 177.670 175.800 0.052 0.000 1.096 124 F CA 0.272 58.364 58.000 0.152 0.000 1.438 124 F CB 0.148 39.191 39.000 0.073 0.000 1.107 124 F HN -0.273 nan 8.300 nan 0.000 0.546 125 R N 1.071 121.584 120.500 0.022 0.000 2.140 125 R HA -0.282 4.073 4.340 0.025 0.000 0.250 125 R C 2.251 178.477 176.300 -0.123 0.000 1.150 125 R CA 2.325 58.408 56.100 -0.030 0.000 0.966 125 R CB -0.801 29.518 30.300 0.031 0.000 0.869 125 R HN 0.375 nan 8.270 nan 0.000 0.445 126 K N -0.044 120.216 120.400 -0.234 0.000 2.160 126 K HA -0.217 4.118 4.320 0.025 0.000 0.206 126 K C 1.342 177.707 176.600 -0.391 0.000 1.047 126 K CA 1.846 57.956 56.287 -0.295 0.000 0.930 126 K CB -0.372 31.893 32.500 -0.392 0.000 0.720 126 K HN 0.254 nan 8.250 nan 0.000 0.450 127 Y N 2.404 122.428 120.300 -0.460 0.000 2.516 127 Y HA -0.042 4.523 4.550 0.025 0.000 0.291 127 Y C 2.235 177.963 175.900 -0.286 0.000 1.131 127 Y CA 1.299 59.016 58.100 -0.639 0.000 1.281 127 Y CB -0.271 37.547 38.460 -1.070 0.000 1.013 127 Y HN 0.311 nan 8.280 nan 0.000 0.554 128 T N -2.066 112.473 114.554 -0.025 0.000 3.219 128 T HA 0.431 4.796 4.350 0.025 0.000 0.249 128 T C 0.874 175.835 174.700 0.436 0.000 1.099 128 T CA 0.056 62.327 62.100 0.285 0.000 0.988 128 T CB -0.684 68.397 68.868 0.357 0.000 0.999 128 T HN 0.210 nan 8.240 nan 0.000 0.550 129 A N 1.856 124.825 122.820 0.247 0.000 2.540 129 A HA 0.522 4.858 4.320 0.025 0.000 0.239 129 A C -0.009 177.745 177.584 0.282 0.000 1.061 129 A CA -0.374 51.776 52.037 0.190 0.000 0.758 129 A CB -0.539 18.526 19.000 0.107 0.000 0.991 129 A HN 0.779 nan 8.150 nan 0.000 0.502 130 F N -0.715 119.259 119.950 0.039 0.000 2.662 130 F HA 0.822 5.364 4.527 0.025 0.000 0.312 130 F C -0.348 175.451 175.800 -0.003 0.000 1.113 130 F CA -0.802 57.185 58.000 -0.022 0.000 0.951 130 F CB 1.398 40.350 39.000 -0.079 0.000 1.344 130 F HN 0.380 nan 8.300 nan 0.000 0.462 131 T N 2.922 117.527 114.554 0.086 0.000 2.876 131 T HA 0.586 4.951 4.350 0.025 0.000 0.289 131 T C -1.006 173.734 174.700 0.065 0.000 1.014 131 T CA -0.505 61.590 62.100 -0.007 0.000 0.986 131 T CB 1.844 70.693 68.868 -0.032 0.000 1.021 131 T HN 0.492 nan 8.240 nan 0.000 0.458 132 I N 3.739 124.343 120.570 0.057 0.000 2.371 132 I HA 0.324 4.509 4.170 0.025 0.000 0.282 132 I C -2.214 173.920 176.117 0.027 0.000 1.031 132 I CA -2.934 58.405 61.300 0.065 0.000 1.180 132 I CB 0.430 38.493 38.000 0.105 0.000 1.336 132 I HN 0.376 nan 8.210 nan 0.000 0.467 133 P HA 0.088 nan 4.420 nan 0.000 0.267 133 P C -0.161 177.140 177.300 0.001 0.000 1.200 133 P CA 0.019 63.120 63.100 0.002 0.000 0.772 133 P CB 0.418 32.122 31.700 0.006 0.000 0.855 134 S N 1.076 116.774 115.700 -0.004 0.000 2.554 134 S HA 0.265 4.750 4.470 0.025 0.000 0.278 134 S C 1.086 175.683 174.600 -0.004 0.000 1.242 134 S CA -0.639 57.558 58.200 -0.005 0.000 1.051 134 S CB 0.478 63.672 63.200 -0.011 0.000 0.986 134 S HN 0.247 nan 8.310 nan 0.000 0.502 135 I N 0.528 121.095 120.570 -0.005 0.000 2.439 135 I HA -0.058 4.127 4.170 0.025 0.000 0.251 135 I C 0.548 176.664 176.117 -0.002 0.000 1.139 135 I CA -0.083 61.216 61.300 -0.003 0.000 1.438 135 I CB -1.260 36.738 38.000 -0.004 0.000 1.085 135 I HN 0.538 nan 8.210 nan 0.000 0.427 136 N N 4.144 122.841 118.700 -0.004 0.000 2.394 136 N HA -0.139 4.617 4.740 0.025 0.000 0.282 136 N C 0.949 176.456 175.510 -0.005 0.000 1.351 136 N CA 0.250 53.297 53.050 -0.005 0.000 0.936 136 N CB -0.163 38.319 38.487 -0.008 0.000 1.274 136 N HN 0.371 nan 8.380 nan 0.000 0.489 137 N N 2.352 121.051 118.700 -0.003 0.000 2.111 137 N HA -0.188 4.567 4.740 0.025 0.000 0.197 137 N C 0.174 175.681 175.510 -0.005 0.000 1.011 137 N CA 1.512 54.561 53.050 -0.002 0.000 0.880 137 N CB 0.324 38.811 38.487 -0.000 0.000 1.031 137 N HN 0.569 nan 8.380 nan 0.000 0.444 144 Y N 0.675 120.557 120.300 -0.697 0.000 2.693 144 Y HA 0.543 5.108 4.550 0.025 0.000 0.331 144 Y C 0.036 175.624 175.900 -0.520 0.000 1.092 144 Y CA -0.890 56.834 58.100 -0.625 0.000 1.131 144 Y CB 1.683 39.690 38.460 -0.755 0.000 1.318 144 Y HN 0.508 nan 8.280 nan 0.000 0.510 145 Q N -0.836 118.947 119.800 -0.028 0.000 2.511 145 Q HA 0.519 4.874 4.340 0.025 0.000 0.289 145 Q C -2.196 173.900 176.000 0.159 0.000 1.021 145 Q CA -1.112 54.754 55.803 0.106 0.000 0.785 145 Q CB 2.088 30.857 28.738 0.051 0.000 1.472 145 Q HN 0.603 nan 8.270 nan 0.000 0.411 146 Y N 0.936 121.350 120.300 0.191 0.000 2.301 146 Y HA 0.295 4.860 4.550 0.025 0.000 0.325 146 Y C 0.742 176.678 175.900 0.060 0.000 1.203 146 Y CA -0.019 58.161 58.100 0.133 0.000 1.255 146 Y CB 1.137 39.634 38.460 0.063 0.000 1.232 146 Y HN 0.704 nan 8.280 nan 0.000 0.501 147 N N 0.877 119.734 118.700 0.262 0.000 2.171 147 N HA 0.131 4.886 4.740 0.025 0.000 0.212 147 N C -0.736 174.853 175.510 0.131 0.000 1.184 147 N CA 0.356 53.499 53.050 0.155 0.000 0.888 147 N CB 1.091 39.655 38.487 0.129 0.000 1.038 147 N HN 0.377 nan 8.380 nan 0.000 0.517 148 V N -2.866 117.136 119.914 0.148 0.000 3.105 148 V HA 0.541 4.676 4.120 0.025 0.000 0.311 148 V C -0.213 175.820 176.094 -0.101 0.000 1.287 148 V CA -1.127 61.206 62.300 0.055 0.000 1.066 148 V CB 1.556 33.439 31.823 0.100 0.000 1.105 148 V HN -0.166 nan 8.190 nan 0.000 0.462 149 L N 3.644 124.780 121.223 -0.145 0.000 2.530 149 L HA 0.347 4.702 4.340 0.025 0.000 0.273 149 L C -2.066 174.561 176.870 -0.404 0.000 1.141 149 L CA -1.099 53.596 54.840 -0.241 0.000 0.905 149 L CB 0.688 42.634 42.059 -0.188 0.000 1.202 149 L HN 0.565 nan 8.230 nan 0.000 0.473 150 P HA 0.107 nan 4.420 nan 0.000 0.281 150 P C -0.983 176.138 177.300 -0.298 0.000 1.249 150 P CA -0.740 61.887 63.100 -0.788 0.000 0.810 150 P CB 0.994 31.845 31.700 -1.415 0.000 1.008 151 Q N 0.676 120.354 119.800 -0.205 0.000 2.364 151 Q HA 0.265 4.620 4.340 0.025 0.000 0.267 151 Q C 1.469 177.571 176.000 0.170 0.000 0.999 151 Q CA 1.178 56.991 55.803 0.017 0.000 0.886 151 Q CB 0.101 28.851 28.738 0.020 0.000 1.243 151 Q HN 0.925 nan 8.270 nan 0.000 0.415 152 G N 1.914 110.828 108.800 0.191 0.000 2.179 152 G HA2 -0.266 3.709 3.960 0.025 0.000 0.260 152 G HA3 -0.266 3.709 3.960 0.025 0.000 0.260 152 G C -0.428 174.628 174.900 0.261 0.000 0.977 152 G CA 0.271 45.523 45.100 0.252 0.000 0.641 152 G HN 0.593 nan 8.290 nan 0.000 0.533 153 W N 1.542 122.742 121.300 -0.166 0.000 2.376 153 W HA 0.641 5.317 4.660 0.026 0.000 0.322 153 W C 1.313 177.712 176.519 -0.200 0.000 1.160 153 W CA -0.667 56.472 57.345 -0.343 0.000 1.218 153 W CB 0.933 29.997 29.460 -0.660 0.000 1.205 153 W HN 0.072 nan 8.180 nan 0.000 0.559 154 K N 2.622 122.564 120.400 -0.763 0.000 2.052 154 K HA -0.195 4.140 4.320 0.025 0.000 0.215 154 K C 1.615 177.633 176.600 -0.970 0.000 1.053 154 K CA 2.189 58.045 56.287 -0.718 0.000 0.934 154 K CB -0.769 31.400 32.500 -0.550 0.000 0.717 154 K HN 0.722 nan 8.250 nan 0.000 0.450 155 G N -0.686 106.959 108.800 -1.925 0.000 3.210 155 G HA2 -0.008 3.967 3.960 0.025 0.000 0.220 155 G HA3 -0.008 3.967 3.960 0.025 0.000 0.220 155 G C 0.868 175.079 174.900 -1.149 0.000 1.200 155 G CA 0.032 43.893 45.100 -2.066 0.000 0.834 155 G HN 0.244 nan 8.290 nan 0.000 0.524 156 S N 1.248 116.537 115.700 -0.685 0.000 2.388 156 S HA 0.002 4.487 4.470 0.025 0.000 0.223 156 S C -0.139 173.993 174.600 -0.780 0.000 1.034 156 S CA 0.665 58.489 58.200 -0.627 0.000 0.963 156 S CB -0.354 62.486 63.200 -0.600 0.000 0.827 156 S HN 0.236 nan 8.310 nan 0.000 0.481 157 P HA 0.005 nan 4.420 nan 0.000 0.218 157 P C 1.240 178.400 177.300 -0.234 0.000 1.148 157 P CA 1.214 64.165 63.100 -0.249 0.000 0.822 157 P CB -0.019 31.614 31.700 -0.112 0.000 0.784 158 A N -0.832 121.777 122.820 -0.353 0.000 1.855 158 A HA -0.107 4.228 4.320 0.025 0.000 0.213 158 A C 2.130 179.549 177.584 -0.275 0.000 1.195 158 A CA 1.244 53.102 52.037 -0.299 0.000 0.610 158 A CB -1.478 17.300 19.000 -0.370 0.000 0.837 158 A HN 0.074 nan 8.150 nan 0.000 0.444 159 I N -1.548 118.806 120.570 -0.360 0.000 2.315 159 I HA -0.186 3.999 4.170 0.025 0.000 0.248 159 I C 2.302 178.300 176.117 -0.199 0.000 1.117 159 I CA 1.276 62.427 61.300 -0.248 0.000 1.404 159 I CB -0.260 37.604 38.000 -0.227 0.000 1.071 159 I HN 0.494 nan 8.210 nan 0.000 0.419 160 F N 1.260 121.000 119.950 -0.349 0.000 2.095 160 F HA -0.315 4.227 4.527 0.025 0.000 0.298 160 F C 2.668 178.370 175.800 -0.162 0.000 1.104 160 F CA 1.854 59.699 58.000 -0.260 0.000 1.232 160 F CB -0.175 38.635 39.000 -0.317 0.000 0.987 160 F HN 0.018 nan 8.300 nan 0.000 0.475 161 Q N -0.119 119.409 119.800 -0.453 0.000 1.993 161 Q HA -0.257 4.099 4.340 0.025 0.000 0.202 161 Q C 2.481 178.253 176.000 -0.380 0.000 0.984 161 Q CA 2.095 57.616 55.803 -0.469 0.000 0.837 161 Q CB -0.511 28.087 28.738 -0.233 0.000 0.902 161 Q HN 0.468 nan 8.270 nan 0.000 0.423 162 S N -0.418 115.133 115.700 -0.249 0.000 2.400 162 S HA -0.231 4.254 4.470 0.025 0.000 0.234 162 S C 1.909 176.373 174.600 -0.228 0.000 1.049 162 S CA 1.948 60.039 58.200 -0.182 0.000 1.039 162 S CB -0.290 62.836 63.200 -0.123 0.000 0.856 162 S HN 0.468 nan 8.310 nan 0.000 0.465 163 S N 1.310 116.831 115.700 -0.297 0.000 2.325 163 S HA -0.056 4.430 4.470 0.025 0.000 0.213 163 S C 1.826 176.205 174.600 -0.369 0.000 1.031 163 S CA 1.507 59.525 58.200 -0.303 0.000 0.984 163 S CB -0.656 62.386 63.200 -0.264 0.000 0.939 163 S HN 0.610 nan 8.310 nan 0.000 0.438 164 M N 2.246 121.541 119.600 -0.507 0.000 2.192 164 M HA -0.171 4.324 4.480 0.025 0.000 0.256 164 M C 1.843 177.967 176.300 -0.293 0.000 1.076 164 M CA 1.695 56.732 55.300 -0.438 0.000 1.075 164 M CB -1.423 30.800 32.600 -0.629 0.000 1.368 164 M HN 0.247 nan 8.290 nan 0.000 0.406 165 T N 0.176 114.568 114.554 -0.270 0.000 2.708 165 T HA -0.137 4.228 4.350 0.025 0.000 0.266 165 T C 1.774 176.387 174.700 -0.145 0.000 1.037 165 T CA 1.836 63.833 62.100 -0.172 0.000 1.146 165 T CB -0.125 68.659 68.868 -0.140 0.000 0.865 165 T HN 0.470 nan 8.240 nan 0.000 0.435 166 K N 0.537 120.830 120.400 -0.179 0.000 2.097 166 K HA 0.098 4.433 4.320 0.025 0.000 0.205 166 K C 2.178 178.653 176.600 -0.208 0.000 1.050 166 K CA 0.932 57.122 56.287 -0.162 0.000 0.938 166 K CB -0.203 32.190 32.500 -0.178 0.000 0.718 166 K HN 0.321 nan 8.250 nan 0.000 0.442 167 I N 0.608 120.975 120.570 -0.339 0.000 2.264 167 I HA -0.272 3.913 4.170 0.025 0.000 0.248 167 I C 1.716 177.824 176.117 -0.014 0.000 1.111 167 I CA 1.014 62.046 61.300 -0.446 0.000 1.382 167 I CB -0.182 37.514 38.000 -0.507 0.000 1.060 167 I HN 0.117 nan 8.210 nan 0.000 0.418 168 L N -0.001 121.198 121.223 -0.041 0.000 2.162 168 L HA -0.044 4.311 4.340 0.025 0.000 0.205 168 L C 2.346 179.239 176.870 0.038 0.000 1.086 168 L CA 1.287 56.135 54.840 0.013 0.000 0.778 168 L CB -1.065 40.975 42.059 -0.030 0.000 0.928 168 L HN 0.150 nan 8.230 nan 0.000 0.446 169 E N 0.319 120.526 120.200 0.010 0.000 2.181 169 E HA -0.272 4.093 4.350 0.025 0.000 0.225 169 E C -0.496 176.135 176.600 0.051 0.000 1.073 169 E CA 2.700 59.114 56.400 0.023 0.000 0.916 169 E CB -1.288 28.415 29.700 0.006 0.000 0.793 169 E HN 0.342 nan 8.360 nan 0.000 0.472 170 P HA -0.201 nan 4.420 nan 0.000 0.208 170 P C 1.688 179.009 177.300 0.036 0.000 1.195 170 P CA 1.325 64.475 63.100 0.083 0.000 0.927 170 P CB -0.651 31.163 31.700 0.190 0.000 0.778 171 F N 0.691 120.498 119.950 -0.238 0.000 2.257 171 F HA -0.225 4.317 4.527 0.025 0.000 0.302 171 F C 2.407 178.134 175.800 -0.121 0.000 1.056 171 F CA 1.371 59.210 58.000 -0.268 0.000 1.353 171 F CB -0.158 38.552 39.000 -0.483 0.000 1.064 171 F HN -0.203 nan 8.300 nan 0.000 0.520 172 R N 0.065 120.661 120.500 0.160 0.000 2.119 172 R HA -0.054 4.301 4.340 0.025 0.000 0.222 172 R C 2.082 178.398 176.300 0.027 0.000 1.088 172 R CA 1.073 57.243 56.100 0.117 0.000 0.984 172 R CB -0.158 30.197 30.300 0.091 0.000 0.884 172 R HN 0.327 nan 8.270 nan 0.000 0.447 173 K N 0.560 120.961 120.400 0.003 0.000 2.167 173 K HA -0.088 4.247 4.320 0.025 0.000 0.203 173 K C 1.844 178.413 176.600 -0.052 0.000 1.052 173 K CA 0.928 57.206 56.287 -0.014 0.000 0.956 173 K CB 0.125 32.625 32.500 -0.001 0.000 0.735 173 K HN 0.271 nan 8.250 nan 0.000 0.451 174 Q N 0.387 120.125 119.800 -0.104 0.000 2.451 174 Q HA 0.043 4.398 4.340 0.025 0.000 0.206 174 Q C 0.089 175.970 176.000 -0.199 0.000 0.947 174 Q CA 0.474 56.188 55.803 -0.150 0.000 0.937 174 Q CB 0.245 28.862 28.738 -0.201 0.000 1.025 174 Q HN 0.226 nan 8.270 nan 0.000 0.511 175 N N 0.890 119.472 118.700 -0.197 0.000 2.646 175 N HA 0.112 4.867 4.740 0.025 0.000 0.303 175 N C -2.266 173.217 175.510 -0.046 0.000 1.921 175 N CA -0.794 52.157 53.050 -0.166 0.000 0.872 175 N CB 1.060 39.370 38.487 -0.294 0.000 1.327 175 N HN 0.095 nan 8.380 nan 0.000 0.492 176 P HA -0.136 nan 4.420 nan 0.000 0.223 176 P C 0.340 177.650 177.300 0.016 0.000 1.144 176 P CA 1.251 64.352 63.100 0.002 0.000 0.783 176 P CB 0.320 32.017 31.700 -0.004 0.000 0.771 177 D N -0.200 120.207 120.400 0.012 0.000 2.249 177 D HA -0.021 4.634 4.640 0.025 0.000 0.205 177 D C 1.185 177.518 176.300 0.056 0.000 0.962 177 D CA 0.216 54.233 54.000 0.028 0.000 0.860 177 D CB -0.946 39.867 40.800 0.022 0.000 0.955 177 D HN 0.244 nan 8.370 nan 0.000 0.505 178 I N 1.095 121.708 120.570 0.071 0.000 2.519 178 I HA 0.142 4.327 4.170 0.025 0.000 0.287 178 I C -0.272 175.916 176.117 0.119 0.000 1.047 178 I CA -0.700 60.673 61.300 0.122 0.000 1.381 178 I CB 1.723 39.829 38.000 0.177 0.000 1.417 178 I HN -0.249 nan 8.210 nan 0.000 0.540 179 V N 7.452 127.437 119.914 0.118 0.000 2.384 179 V HA 0.460 4.596 4.120 0.025 0.000 0.287 179 V C -0.007 176.159 176.094 0.121 0.000 1.020 179 V CA -0.433 61.927 62.300 0.100 0.000 0.850 179 V CB 1.538 33.399 31.823 0.062 0.000 0.987 179 V HN 0.441 nan 8.190 nan 0.000 0.436 180 I N 5.085 125.730 120.570 0.124 0.000 2.474 180 I HA 0.528 4.714 4.170 0.025 0.000 0.294 180 I C -1.197 175.030 176.117 0.183 0.000 1.005 180 I CA -0.878 60.505 61.300 0.139 0.000 1.113 180 I CB 1.880 39.938 38.000 0.097 0.000 1.289 180 I HN 0.656 nan 8.210 nan 0.000 0.436 181 Y N 5.458 125.793 120.300 0.058 0.000 2.354 181 Y HA 0.394 4.960 4.550 0.026 0.000 0.330 181 Y C -1.094 174.880 175.900 0.124 0.000 1.011 181 Y CA -0.623 57.503 58.100 0.044 0.000 1.099 181 Y CB 1.533 39.964 38.460 -0.049 0.000 1.179 181 Y HN 0.580 nan 8.280 nan 0.000 0.442 182 Q N 5.461 124.985 119.800 -0.459 0.000 2.257 182 Q HA 0.358 4.714 4.340 0.025 0.000 0.255 182 Q C -1.877 173.805 176.000 -0.530 0.000 0.920 182 Q CA -0.980 54.641 55.803 -0.305 0.000 0.927 182 Q CB 2.501 31.121 28.738 -0.196 0.000 1.229 182 Q HN 0.760 nan 8.270 nan 0.000 0.433 183 Y N 4.535 124.709 120.300 -0.210 0.000 2.344 183 Y HA 0.276 4.842 4.550 0.026 0.000 0.328 183 Y C 0.045 176.037 175.900 0.154 0.000 1.067 183 Y CA -0.465 57.611 58.100 -0.040 0.000 1.247 183 Y CB 0.602 39.181 38.460 0.198 0.000 1.113 183 Y HN 0.960 nan 8.280 nan 0.000 0.465 184 M N 1.304 120.713 119.600 -0.318 0.000 7.319 184 M HA -0.368 4.127 4.480 0.025 0.000 0.298 184 M C 0.560 176.944 176.300 0.141 0.000 0.480 184 M CA 2.400 57.615 55.300 -0.141 0.000 1.311 184 M CB -0.974 31.451 32.600 -0.292 0.000 0.421 184 M HN 0.759 nan 8.290 nan 0.000 0.605 185 D N 0.596 121.064 120.400 0.113 0.000 2.358 185 D HA 0.180 4.835 4.640 0.025 0.000 0.224 185 D C -0.460 175.936 176.300 0.161 0.000 1.123 185 D CA 0.163 54.240 54.000 0.129 0.000 0.833 185 D CB 0.010 40.793 40.800 -0.029 0.000 0.946 185 D HN 0.335 nan 8.370 nan 0.000 0.505 186 D N 0.872 121.413 120.400 0.236 0.000 2.299 186 D HA 0.430 5.085 4.640 0.025 0.000 0.243 186 D C -0.649 175.784 176.300 0.222 0.000 0.982 186 D CA -0.614 53.509 54.000 0.206 0.000 0.924 186 D CB 2.435 43.427 40.800 0.319 0.000 1.238 186 D HN -0.053 nan 8.370 nan 0.000 0.484 187 L N 2.278 123.534 121.223 0.055 0.000 2.427 187 L HA 0.256 4.611 4.340 0.025 0.000 0.264 187 L C -1.495 175.389 176.870 0.023 0.000 0.989 187 L CA -0.651 54.255 54.840 0.109 0.000 0.865 187 L CB 0.576 42.667 42.059 0.053 0.000 1.209 187 L HN 0.227 nan 8.230 nan 0.000 0.430 188 Y N 3.447 123.786 120.300 0.064 0.000 2.350 188 Y HA 0.562 5.127 4.550 0.025 0.000 0.340 188 Y C 0.249 176.179 175.900 0.051 0.000 1.006 188 Y CA -0.837 57.275 58.100 0.019 0.000 1.166 188 Y CB 1.112 39.518 38.460 -0.090 0.000 1.168 188 Y HN 0.191 nan 8.280 nan 0.000 0.502 189 V N 2.959 122.975 119.914 0.170 0.000 2.540 189 V HA 0.878 5.013 4.120 0.025 0.000 0.302 189 V C 0.250 176.464 176.094 0.201 0.000 1.035 189 V CA -0.848 61.557 62.300 0.174 0.000 0.873 189 V CB 1.645 33.561 31.823 0.154 0.000 0.992 189 V HN 0.910 nan 8.190 nan 0.000 0.428 190 G N 2.313 111.210 108.800 0.162 0.000 2.571 190 G HA2 0.808 4.783 3.960 0.025 0.000 0.304 190 G HA3 0.808 4.783 3.960 0.025 0.000 0.304 190 G C -0.732 174.244 174.900 0.127 0.000 1.314 190 G CA -0.123 45.043 45.100 0.111 0.000 0.975 190 G HN 1.061 nan 8.290 nan 0.000 0.485 191 S N -0.513 115.238 115.700 0.084 0.000 2.656 191 S HA 0.552 5.037 4.470 0.025 0.000 0.273 191 S C -1.175 173.456 174.600 0.051 0.000 1.168 191 S CA -0.708 57.563 58.200 0.118 0.000 0.817 191 S CB 2.238 65.605 63.200 0.278 0.000 1.146 191 S HN 0.244 nan 8.310 nan 0.000 0.475 192 D N 0.633 121.071 120.400 0.064 0.000 2.463 192 D HA 0.409 5.064 4.640 0.025 0.000 0.224 192 D C 0.177 176.510 176.300 0.055 0.000 1.174 192 D CA -0.093 53.932 54.000 0.041 0.000 0.829 192 D CB -0.072 40.747 40.800 0.032 0.000 0.993 192 D HN 0.449 nan 8.370 nan 0.000 0.497 193 L N 0.398 121.678 121.223 0.095 0.000 2.475 193 L HA 0.240 4.595 4.340 0.025 0.000 0.253 193 L C 0.892 177.814 176.870 0.086 0.000 1.198 193 L CA -0.437 54.463 54.840 0.099 0.000 0.814 193 L CB 0.545 42.694 42.059 0.148 0.000 1.134 193 L HN -0.191 nan 8.230 nan 0.000 0.478 194 E N 0.089 120.333 120.200 0.074 0.000 2.343 194 E HA 0.150 4.515 4.350 0.025 0.000 0.269 194 E C 1.096 177.748 176.600 0.087 0.000 1.047 194 E CA -0.309 56.126 56.400 0.059 0.000 0.874 194 E CB 1.089 30.814 29.700 0.042 0.000 1.033 194 E HN 0.352 nan 8.360 nan 0.000 0.409 195 I N 1.440 122.050 120.570 0.066 0.000 2.203 195 I HA -0.412 3.773 4.170 0.025 0.000 0.237 195 I C 2.100 178.284 176.117 0.112 0.000 0.993 195 I CA 1.915 63.265 61.300 0.082 0.000 1.277 195 I CB -1.136 36.892 38.000 0.046 0.000 0.984 195 I HN 0.783 nan 8.210 nan 0.000 0.402 196 G N 0.043 108.886 108.800 0.073 0.000 2.587 196 G HA2 -0.303 3.672 3.960 0.025 0.000 0.217 196 G HA3 -0.303 3.672 3.960 0.025 0.000 0.217 196 G C 1.456 176.395 174.900 0.066 0.000 1.240 196 G CA 1.179 46.316 45.100 0.060 0.000 0.794 196 G HN 0.535 nan 8.290 nan 0.000 0.580 197 Q N -0.618 119.220 119.800 0.063 0.000 2.096 197 Q HA -0.234 4.121 4.340 0.025 0.000 0.208 197 Q C 2.235 178.268 176.000 0.055 0.000 0.993 197 Q CA 1.884 57.718 55.803 0.052 0.000 0.862 197 Q CB -0.428 28.340 28.738 0.051 0.000 0.915 197 Q HN 0.789 nan 8.270 nan 0.000 0.416 198 H N 0.891 119.984 119.070 0.038 0.000 2.252 198 H HA -0.163 4.409 4.556 0.025 0.000 0.292 198 H C 2.115 177.478 175.328 0.059 0.000 1.082 198 H CA 2.288 58.366 56.048 0.051 0.000 1.229 198 H CB -0.087 29.702 29.762 0.045 0.000 1.353 198 H HN 0.062 nan 8.280 nan 0.000 0.488 199 R N -0.340 120.164 120.500 0.008 0.000 2.154 199 R HA -0.156 4.199 4.340 0.025 0.000 0.248 199 R C 1.843 178.115 176.300 -0.046 0.000 1.155 199 R CA 2.060 58.154 56.100 -0.010 0.000 0.979 199 R CB -0.384 29.963 30.300 0.078 0.000 0.869 199 R HN 0.631 nan 8.270 nan 0.000 0.452 200 T N 0.309 114.848 114.554 -0.025 0.000 2.812 200 T HA -0.030 4.335 4.350 0.025 0.000 0.264 200 T C 1.738 176.436 174.700 -0.002 0.000 1.042 200 T CA 0.619 62.718 62.100 -0.003 0.000 1.140 200 T CB -0.066 68.808 68.868 0.010 0.000 0.870 200 T HN 0.101 nan 8.240 nan 0.000 0.445 201 K N 1.173 121.551 120.400 -0.037 0.000 2.026 201 K HA 0.043 4.378 4.320 0.025 0.000 0.208 201 K C 2.336 178.981 176.600 0.074 0.000 1.048 201 K CA 0.769 57.074 56.287 0.029 0.000 0.929 201 K CB -0.748 31.748 32.500 -0.005 0.000 0.713 201 K HN 0.312 nan 8.250 nan 0.000 0.439 202 I N 1.815 122.321 120.570 -0.106 0.000 2.185 202 I HA -0.287 3.898 4.170 0.025 0.000 0.246 202 I C 2.120 178.238 176.117 0.001 0.000 1.088 202 I CA 1.494 62.745 61.300 -0.082 0.000 1.347 202 I CB -0.897 37.026 38.000 -0.128 0.000 1.041 202 I HN 0.235 nan 8.210 nan 0.000 0.415 203 E N 0.902 121.112 120.200 0.018 0.000 2.118 203 E HA -0.213 4.152 4.350 0.025 0.000 0.195 203 E C 2.090 178.743 176.600 0.089 0.000 0.992 203 E CA 1.191 57.618 56.400 0.045 0.000 0.804 203 E CB -0.132 29.592 29.700 0.039 0.000 0.741 203 E HN 0.613 nan 8.360 nan 0.000 0.458 204 E N 0.489 120.781 120.200 0.154 0.000 2.047 204 E HA -0.171 4.194 4.350 0.025 0.000 0.191 204 E C 2.231 179.025 176.600 0.324 0.000 0.987 204 E CA 0.566 57.125 56.400 0.264 0.000 0.799 204 E CB -0.241 29.662 29.700 0.338 0.000 0.752 204 E HN 0.055 nan 8.360 nan 0.000 0.449 205 L N 1.946 123.280 121.223 0.185 0.000 1.978 205 L HA -0.257 4.098 4.340 0.025 0.000 0.218 205 L C 2.217 179.028 176.870 -0.099 0.000 1.075 205 L CA 1.912 56.499 54.840 -0.422 0.000 0.767 205 L CB -0.302 41.451 42.059 -0.510 0.000 0.890 205 L HN -0.042 nan 8.230 nan 0.000 0.434 206 R N -1.230 119.260 120.500 -0.018 0.000 2.170 206 R HA -0.224 4.131 4.340 0.025 0.000 0.242 206 R C 2.245 178.584 176.300 0.064 0.000 1.145 206 R CA 1.432 57.548 56.100 0.027 0.000 0.984 206 R CB -0.375 29.943 30.300 0.030 0.000 0.869 206 R HN 0.464 nan 8.270 nan 0.000 0.455 207 Q N -0.394 119.463 119.800 0.096 0.000 2.062 207 Q HA -0.119 4.237 4.340 0.025 0.000 0.196 207 Q C 1.818 177.884 176.000 0.110 0.000 0.967 207 Q CA 1.557 57.416 55.803 0.094 0.000 0.832 207 Q CB -0.238 28.565 28.738 0.107 0.000 0.899 207 Q HN 0.426 nan 8.270 nan 0.000 0.442 208 H N -0.514 118.616 119.070 0.100 0.000 2.387 208 H HA -0.066 4.505 4.556 0.025 0.000 0.299 208 H C 1.538 177.004 175.328 0.229 0.000 1.099 208 H CA 1.771 57.919 56.048 0.166 0.000 1.315 208 H CB -0.026 29.874 29.762 0.230 0.000 1.380 208 H HN 0.208 nan 8.280 nan 0.000 0.513 209 L N -0.716 120.622 121.223 0.192 0.000 2.109 209 L HA -0.099 4.256 4.340 0.025 0.000 0.207 209 L C 2.327 179.291 176.870 0.157 0.000 1.086 209 L CA 0.584 55.533 54.840 0.181 0.000 0.760 209 L CB -0.311 41.816 42.059 0.113 0.000 0.910 209 L HN 0.299 nan 8.230 nan 0.000 0.437 210 L N 0.250 121.528 121.223 0.092 0.000 2.056 210 L HA -0.147 4.208 4.340 0.025 0.000 0.207 210 L C 2.634 179.509 176.870 0.008 0.000 1.078 210 L CA 1.602 56.476 54.840 0.057 0.000 0.749 210 L CB -0.500 41.580 42.059 0.034 0.000 0.901 210 L HN 0.091 nan 8.230 nan 0.000 0.433 211 R N -1.474 118.972 120.500 -0.090 0.000 2.316 211 R HA -0.191 4.164 4.340 0.025 0.000 0.232 211 R C 0.342 176.419 176.300 -0.372 0.000 1.137 211 R CA 0.959 56.887 56.100 -0.286 0.000 1.012 211 R CB -0.342 29.656 30.300 -0.503 0.000 0.859 211 R HN 0.420 nan 8.270 nan 0.000 0.474 212 W N 0.622 121.883 121.300 -0.066 0.000 1.931 212 W HA 0.257 4.932 4.660 0.025 0.000 0.346 212 W C 0.572 177.100 176.519 0.014 0.000 0.775 212 W CA -0.386 56.942 57.345 -0.029 0.000 2.738 212 W CB 0.457 29.890 29.460 -0.046 0.000 1.908 212 W HN 0.278 nan 8.180 nan 0.000 0.665 213 G N 1.215 110.105 108.800 0.151 0.000 2.243 213 G HA2 -0.347 3.628 3.960 0.025 0.000 0.276 213 G HA3 -0.347 3.628 3.960 0.025 0.000 0.276 213 G C 0.281 175.262 174.900 0.135 0.000 0.997 213 G CA 0.408 45.582 45.100 0.124 0.000 0.693 213 G HN 0.285 nan 8.290 nan 0.000 0.529 214 L N 1.749 123.072 121.223 0.167 0.000 2.313 214 L HA 0.469 4.824 4.340 0.025 0.000 0.282 214 L C 1.029 177.961 176.870 0.104 0.000 1.092 214 L CA 0.154 55.085 54.840 0.153 0.000 0.831 214 L CB 1.030 43.206 42.059 0.195 0.000 1.159 214 L HN 0.308 nan 8.230 nan 0.000 0.442 215 T N -0.560 114.041 114.554 0.079 0.000 2.823 215 T HA 0.727 5.092 4.350 0.025 0.000 0.279 215 T C -0.046 174.679 174.700 0.042 0.000 0.998 215 T CA -0.667 61.464 62.100 0.052 0.000 0.994 215 T CB 1.911 70.799 68.868 0.033 0.000 0.960 215 T HN 0.622 nan 8.240 nan 0.000 0.448 216 T N -0.280 114.296 114.554 0.037 0.000 2.864 216 T HA 0.791 5.156 4.350 0.025 0.000 0.289 216 T C -2.920 171.799 174.700 0.031 0.000 1.082 216 T CA -1.720 60.400 62.100 0.032 0.000 1.009 216 T CB 1.160 70.048 68.868 0.033 0.000 1.234 216 T HN 0.630 nan 8.240 nan 0.000 0.526 217 P HA 0.349 nan 4.420 nan 0.000 0.278 217 P C -1.136 176.214 177.300 0.084 0.000 1.238 217 P CA -0.317 62.819 63.100 0.060 0.000 0.794 217 P CB 0.443 32.185 31.700 0.070 0.000 0.955 218 D N 0.772 121.252 120.400 0.133 0.000 2.304 218 D HA 0.076 4.731 4.640 0.025 0.000 0.247 218 D C 1.226 177.579 176.300 0.087 0.000 1.089 218 D CA -0.713 53.355 54.000 0.114 0.000 0.910 218 D CB 0.747 41.626 40.800 0.132 0.000 1.199 218 D HN 0.047 nan 8.370 nan 0.000 0.426 219 K N 1.462 121.889 120.400 0.044 0.000 2.169 219 K HA -0.333 4.002 4.320 0.025 0.000 0.213 219 K C 1.554 178.138 176.600 -0.026 0.000 1.050 219 K CA 1.900 58.199 56.287 0.018 0.000 0.935 219 K CB -0.237 32.271 32.500 0.014 0.000 0.722 219 K HN 0.723 nan 8.250 nan 0.000 0.468 220 K N -0.497 119.846 120.400 -0.095 0.000 2.148 220 K HA -0.135 4.200 4.320 0.025 0.000 0.204 220 K C 1.042 177.449 176.600 -0.322 0.000 1.050 220 K CA 1.484 57.621 56.287 -0.249 0.000 0.942 220 K CB -0.044 32.213 32.500 -0.404 0.000 0.724 220 K HN 0.350 nan 8.250 nan 0.000 0.446 221 H N -0.106 118.972 119.070 0.014 0.000 2.505 221 H HA 0.197 4.768 4.556 0.025 0.000 0.289 221 H C -0.167 175.172 175.328 0.019 0.000 1.052 221 H CA -0.426 55.631 56.048 0.015 0.000 1.156 221 H CB 0.471 30.240 29.762 0.012 0.000 1.507 221 H HN 0.193 nan 8.280 nan 0.000 0.548 222 Q N 0.953 120.804 119.800 0.085 0.000 2.237 222 Q HA 0.319 4.674 4.340 0.025 0.000 0.219 222 Q C -0.314 175.722 176.000 0.062 0.000 0.999 222 Q CA -0.670 55.175 55.803 0.070 0.000 0.959 222 Q CB 1.235 30.006 28.738 0.055 0.000 1.173 222 Q HN 0.287 nan 8.270 nan 0.000 0.527 223 K N 1.146 121.594 120.400 0.081 0.000 2.235 223 K HA 0.417 4.752 4.320 0.025 0.000 0.266 223 K C -0.919 175.723 176.600 0.070 0.000 0.980 223 K CA -0.443 55.911 56.287 0.112 0.000 0.849 223 K CB 1.658 34.282 32.500 0.207 0.000 1.098 223 K HN 0.382 nan 8.250 nan 0.000 0.445 224 E N 2.757 122.884 120.200 -0.121 0.000 2.312 224 E HA 0.352 4.717 4.350 0.025 0.000 0.267 224 E C -2.666 173.478 176.600 -0.760 0.000 0.894 224 E CA -2.416 53.768 56.400 -0.360 0.000 0.773 224 E CB 1.526 31.117 29.700 -0.182 0.000 1.241 224 E HN 0.189 nan 8.360 nan 0.000 0.432 225 P HA -0.030 nan 4.420 nan 0.000 0.268 225 P C -2.422 174.593 177.300 -0.475 0.000 1.189 225 P CA -0.346 62.174 63.100 -0.967 0.000 0.771 225 P CB -0.098 31.308 31.700 -0.491 0.000 0.822 226 P HA 0.402 nan 4.420 nan 0.000 0.280 226 P C -1.186 175.974 177.300 -0.233 0.000 1.272 226 P CA -0.350 62.466 63.100 -0.473 0.000 0.819 226 P CB 1.066 32.276 31.700 -0.818 0.000 1.122 227 F N -1.898 118.039 119.950 -0.022 0.000 2.615 227 F HA 0.466 5.008 4.527 0.025 0.000 0.312 227 F C -0.199 175.712 175.800 0.186 0.000 1.119 227 F CA -1.712 56.337 58.000 0.082 0.000 0.979 227 F CB 0.974 40.032 39.000 0.097 0.000 1.266 227 F HN 0.001 nan 8.300 nan 0.000 0.444 228 L N 1.541 123.011 121.223 0.412 0.000 2.473 228 L HA 0.131 4.486 4.340 0.025 0.000 0.265 228 L C -1.106 176.027 176.870 0.439 0.000 1.243 228 L CA 0.518 55.574 54.840 0.359 0.000 0.822 228 L CB 0.599 42.809 42.059 0.252 0.000 1.101 228 L HN 0.836 nan 8.230 nan 0.000 0.507 229 W N 3.490 124.884 121.300 0.156 0.000 4.617 229 W HA 0.191 4.866 4.660 0.025 0.000 0.253 229 W C -1.079 175.543 176.519 0.171 0.000 1.338 229 W CA -0.948 56.449 57.345 0.087 0.000 1.468 229 W CB 0.227 29.675 29.460 -0.020 0.000 1.032 229 W HN 0.327 nan 8.180 nan 0.000 0.475 230 M N 4.857 124.226 119.600 -0.386 0.000 2.350 230 M HA -0.154 4.341 4.480 0.025 0.000 0.190 230 M C 1.277 177.407 176.300 -0.282 0.000 0.710 230 M CA 2.038 57.081 55.300 -0.429 0.000 0.495 230 M CB -2.136 30.029 32.600 -0.725 0.000 1.136 230 M HN 1.672 nan 8.290 nan 0.000 0.901 231 G N -0.692 107.980 108.800 -0.214 0.000 2.187 231 G HA2 -0.309 3.666 3.960 0.025 0.000 0.261 231 G HA3 -0.309 3.666 3.960 0.025 0.000 0.261 231 G C -0.199 174.724 174.900 0.038 0.000 1.000 231 G CA 1.057 46.038 45.100 -0.199 0.000 0.718 231 G HN 0.683 nan 8.290 nan 0.000 0.519 232 Y N -1.071 119.435 120.300 0.343 0.000 2.650 232 Y HA 0.674 5.239 4.550 0.024 0.000 0.331 232 Y C 0.582 176.700 175.900 0.365 0.000 1.082 232 Y CA -0.947 57.406 58.100 0.423 0.000 1.171 232 Y CB 1.591 40.326 38.460 0.459 0.000 1.326 232 Y HN 0.081 nan 8.280 nan 0.000 0.513 233 E N 1.545 122.091 120.200 0.576 0.000 2.460 233 E HA 0.406 4.771 4.350 0.025 0.000 0.249 233 E C -2.124 174.759 176.600 0.471 0.000 0.962 233 E CA -0.317 56.338 56.400 0.426 0.000 0.787 233 E CB 0.520 30.413 29.700 0.322 0.000 1.341 233 E HN 0.498 nan 8.360 nan 0.000 0.407 234 L N 4.711 126.213 121.223 0.464 0.000 2.275 234 L HA 0.439 4.794 4.340 0.025 0.000 0.288 234 L C 0.254 177.331 176.870 0.346 0.000 1.046 234 L CA -0.520 54.617 54.840 0.495 0.000 0.805 234 L CB 0.962 43.297 42.059 0.460 0.000 1.193 234 L HN 0.506 nan 8.230 nan 0.000 0.426 235 H N 2.936 122.254 119.070 0.414 0.000 2.676 235 H HA 0.310 4.881 4.556 0.025 0.000 0.352 235 H C -1.784 173.762 175.328 0.363 0.000 1.193 235 H CA -1.805 54.416 56.048 0.287 0.000 1.243 235 H CB 1.962 31.835 29.762 0.186 0.000 1.751 235 H HN 0.308 nan 8.280 nan 0.000 0.567 236 P HA -0.056 nan 4.420 nan 0.000 0.231 236 P C 0.668 178.209 177.300 0.401 0.000 1.168 236 P CA 0.961 64.241 63.100 0.300 0.000 0.779 236 P CB 0.410 32.197 31.700 0.145 0.000 0.844 237 D N -1.392 119.228 120.400 0.367 0.000 2.449 237 D HA 0.043 4.698 4.640 0.025 0.000 0.210 237 D C 0.612 177.000 176.300 0.147 0.000 1.094 237 D CA 0.293 54.453 54.000 0.266 0.000 0.846 237 D CB 0.532 41.410 40.800 0.130 0.000 1.003 237 D HN 0.245 nan 8.370 nan 0.000 0.504 238 K N -0.946 119.538 120.400 0.140 0.000 2.507 238 K HA 0.489 4.824 4.320 0.025 0.000 0.284 238 K C -1.408 175.295 176.600 0.171 0.000 1.038 238 K CA -1.063 55.209 56.287 -0.024 0.000 0.903 238 K CB 1.879 34.417 32.500 0.063 0.000 1.531 238 K HN 0.106 nan 8.250 nan 0.000 0.430 239 W N -0.009 121.247 121.300 -0.075 0.000 3.042 239 W HA 0.712 5.387 4.660 0.025 0.000 0.342 239 W C -1.494 175.112 176.519 0.145 0.000 1.240 239 W CA -0.519 56.896 57.345 0.117 0.000 1.166 239 W CB 0.882 30.395 29.460 0.089 0.000 1.469 239 W HN 0.994 nan 8.180 nan 0.000 0.579 240 T N -0.569 113.984 114.554 -0.001 0.000 2.686 240 T HA 0.440 4.805 4.350 0.025 0.000 0.289 240 T C -1.724 173.034 174.700 0.096 0.000 1.783 240 T CA 0.307 62.165 62.100 -0.403 0.000 0.966 240 T CB 0.539 69.273 68.868 -0.223 0.000 2.034 240 T HN 1.005 nan 8.240 nan 0.000 0.436 241 V N 1.981 121.935 119.914 0.067 0.000 2.667 241 V HA 0.699 4.834 4.120 0.025 0.000 0.308 241 V C 0.380 176.627 176.094 0.256 0.000 1.048 241 V CA -1.052 61.397 62.300 0.248 0.000 0.928 241 V CB 1.225 33.182 31.823 0.223 0.000 1.004 241 V HN 1.052 nan 8.190 nan 0.000 0.444 242 Q N 3.058 123.018 119.800 0.265 0.000 2.474 242 Q HA 0.282 4.638 4.340 0.025 0.000 0.256 242 Q C -2.161 173.942 176.000 0.172 0.000 1.048 242 Q CA -1.344 54.579 55.803 0.200 0.000 0.922 242 Q CB -0.432 28.400 28.738 0.156 0.000 1.288 242 Q HN 0.641 nan 8.270 nan 0.000 0.484 243 P HA -0.055 nan 4.420 nan 0.000 0.253 243 P C -0.719 176.628 177.300 0.078 0.000 1.170 243 P CA 0.662 63.823 63.100 0.102 0.000 0.806 243 P CB 0.049 31.798 31.700 0.082 0.000 0.775 244 I N 4.420 125.030 120.570 0.068 0.000 2.304 244 I HA 0.179 4.364 4.170 0.025 0.000 0.291 244 I C -0.630 175.496 176.117 0.014 0.000 1.018 244 I CA -0.938 60.387 61.300 0.043 0.000 1.260 244 I CB 1.146 39.173 38.000 0.045 0.000 1.390 244 I HN -0.043 nan 8.210 nan 0.000 0.475 245 V N 8.449 128.376 119.914 0.022 0.000 2.364 245 V HA 0.262 4.397 4.120 0.025 0.000 0.272 245 V C 0.346 176.462 176.094 0.036 0.000 1.036 245 V CA -0.566 61.746 62.300 0.021 0.000 0.880 245 V CB 1.030 32.864 31.823 0.019 0.000 0.991 245 V HN 0.587 nan 8.190 nan 0.000 0.460 246 L N 7.373 128.620 121.223 0.041 0.000 2.261 246 L HA 0.374 4.729 4.340 0.025 0.000 0.289 246 L C -1.943 174.998 176.870 0.117 0.000 1.059 246 L CA -1.533 53.360 54.840 0.088 0.000 0.816 246 L CB 1.200 43.299 42.059 0.067 0.000 1.191 246 L HN 0.441 nan 8.230 nan 0.000 0.431 247 P HA -0.077 nan 4.420 nan 0.000 0.268 247 P C -0.595 176.779 177.300 0.124 0.000 1.189 247 P CA 0.185 63.321 63.100 0.060 0.000 0.771 247 P CB 0.532 32.188 31.700 -0.073 0.000 0.822 248 E N 1.922 122.143 120.200 0.034 0.000 2.182 248 E HA 0.427 4.792 4.350 0.025 0.000 0.258 248 E C -0.902 175.696 176.600 -0.003 0.000 0.879 248 E CA -0.611 55.833 56.400 0.074 0.000 0.754 248 E CB 0.457 30.184 29.700 0.044 0.000 1.162 248 E HN 0.385 nan 8.360 nan 0.000 0.419 249 K N 2.203 122.631 120.400 0.046 0.000 2.672 249 K HA 0.352 4.687 4.320 0.025 0.000 0.295 249 K C -0.908 175.751 176.600 0.098 0.000 1.042 249 K CA -0.702 55.549 56.287 -0.060 0.000 0.869 249 K CB 0.601 32.907 32.500 -0.323 0.000 1.541 249 K HN 0.221 nan 8.250 nan 0.000 0.396 250 D N -0.367 120.054 120.400 0.035 0.000 2.433 250 D HA 0.013 4.668 4.640 0.025 0.000 0.211 250 D C -0.252 176.128 176.300 0.132 0.000 1.114 250 D CA -0.116 53.964 54.000 0.133 0.000 0.837 250 D CB 0.955 41.802 40.800 0.078 0.000 0.984 250 D HN 0.289 nan 8.370 nan 0.000 0.505 251 S N 0.637 116.326 115.700 -0.018 0.000 2.542 251 S HA 0.348 4.833 4.470 0.025 0.000 0.245 251 S C -1.422 173.109 174.600 -0.115 0.000 1.325 251 S CA -0.774 57.420 58.200 -0.009 0.000 1.176 251 S CB -0.153 63.020 63.200 -0.046 0.000 1.045 251 S HN 0.086 nan 8.310 nan 0.000 0.481 252 W N 3.022 124.318 121.300 -0.006 0.000 2.365 252 W HA 0.486 5.163 4.660 0.028 0.000 0.316 252 W C 0.965 177.480 176.519 -0.007 0.000 1.164 252 W CA -0.496 56.844 57.345 -0.007 0.000 1.204 252 W CB 1.145 30.601 29.460 -0.007 0.000 1.213 252 W HN 0.559 nan 8.180 nan 0.000 0.539 253 T N -1.698 112.959 114.554 0.172 0.000 2.952 253 T HA 0.326 4.692 4.350 0.025 0.000 0.286 253 T C 0.828 175.607 174.700 0.132 0.000 1.024 253 T CA -0.844 61.322 62.100 0.109 0.000 1.029 253 T CB 1.318 70.211 68.868 0.041 0.000 1.094 253 T HN 0.211 nan 8.240 nan 0.000 0.515 254 V N 1.835 121.800 119.914 0.085 0.000 2.278 254 V HA -0.275 3.860 4.120 0.025 0.000 0.251 254 V C 2.797 178.935 176.094 0.074 0.000 1.062 254 V CA 2.199 64.541 62.300 0.070 0.000 1.038 254 V CB -1.086 30.762 31.823 0.042 0.000 0.646 254 V HN 0.853 nan 8.190 nan 0.000 0.447 255 N N 0.346 119.082 118.700 0.060 0.000 2.018 255 N HA -0.208 4.547 4.740 0.025 0.000 0.196 255 N C 1.587 177.147 175.510 0.083 0.000 1.043 255 N CA 2.063 55.143 53.050 0.051 0.000 0.856 255 N CB -0.550 37.954 38.487 0.027 0.000 1.042 255 N HN 0.538 nan 8.380 nan 0.000 0.423 256 D N 1.284 121.752 120.400 0.114 0.000 2.106 256 D HA -0.148 4.507 4.640 0.025 0.000 0.191 256 D C 2.172 178.653 176.300 0.301 0.000 0.997 256 D CA 0.826 54.945 54.000 0.198 0.000 0.834 256 D CB -0.496 40.439 40.800 0.225 0.000 0.956 256 D HN 0.344 nan 8.370 nan 0.000 0.448 257 I N 0.921 121.663 120.570 0.286 0.000 2.208 257 I HA -0.299 3.886 4.170 0.025 0.000 0.245 257 I C 2.609 178.776 176.117 0.083 0.000 1.097 257 I CA 1.196 62.586 61.300 0.151 0.000 1.363 257 I CB -0.365 37.682 38.000 0.078 0.000 1.051 257 I HN 0.032 nan 8.210 nan 0.000 0.413 258 Q N 0.892 120.737 119.800 0.075 0.000 2.020 258 Q HA -0.216 4.139 4.340 0.025 0.000 0.202 258 Q C 2.286 178.316 176.000 0.050 0.000 0.982 258 Q CA 1.488 57.319 55.803 0.047 0.000 0.838 258 Q CB -0.144 28.616 28.738 0.036 0.000 0.899 258 Q HN 0.473 nan 8.270 nan 0.000 0.423 259 K N 0.445 120.882 120.400 0.062 0.000 2.044 259 K HA -0.203 4.132 4.320 0.025 0.000 0.210 259 K C 2.146 178.786 176.600 0.066 0.000 1.049 259 K CA 1.160 57.478 56.287 0.052 0.000 0.927 259 K CB -0.325 32.205 32.500 0.049 0.000 0.713 259 K HN 0.082 nan 8.250 nan 0.000 0.443 260 L N 1.273 122.561 121.223 0.107 0.000 1.970 260 L HA -0.187 4.168 4.340 0.025 0.000 0.212 260 L C 2.130 179.030 176.870 0.049 0.000 1.071 260 L CA 1.544 56.443 54.840 0.100 0.000 0.751 260 L CB -0.607 41.530 42.059 0.129 0.000 0.889 260 L HN -0.087 nan 8.230 nan 0.000 0.432 261 V N 0.544 120.475 119.914 0.029 0.000 2.317 261 V HA -0.337 3.798 4.120 0.025 0.000 0.251 261 V C 2.599 178.718 176.094 0.041 0.000 1.065 261 V CA 2.005 64.315 62.300 0.017 0.000 1.049 261 V CB -1.788 30.040 31.823 0.009 0.000 0.651 261 V HN 0.707 nan 8.190 nan 0.000 0.450 262 G N -0.582 108.245 108.800 0.045 0.000 2.453 262 G HA2 -0.280 3.695 3.960 0.025 0.000 0.215 262 G HA3 -0.280 3.695 3.960 0.025 0.000 0.215 262 G C 1.588 176.539 174.900 0.085 0.000 1.201 262 G CA 1.039 46.171 45.100 0.054 0.000 0.784 262 G HN 0.407 nan 8.290 nan 0.000 0.545 263 K N 0.254 120.696 120.400 0.070 0.000 2.103 263 K HA 0.080 4.415 4.320 0.025 0.000 0.207 263 K C 2.489 179.171 176.600 0.136 0.000 1.048 263 K CA 0.598 56.944 56.287 0.098 0.000 0.930 263 K CB -0.642 31.896 32.500 0.063 0.000 0.716 263 K HN 0.347 nan 8.250 nan 0.000 0.444 264 L N 0.350 121.623 121.223 0.083 0.000 2.046 264 L HA -0.250 4.105 4.340 0.025 0.000 0.208 264 L C 1.767 178.690 176.870 0.087 0.000 1.077 264 L CA 1.589 56.464 54.840 0.059 0.000 0.747 264 L CB -0.510 41.560 42.059 0.018 0.000 0.896 264 L HN 0.345 nan 8.230 nan 0.000 0.432 265 N N -0.786 117.977 118.700 0.106 0.000 2.039 265 N HA -0.280 4.475 4.740 0.025 0.000 0.193 265 N C 1.733 177.343 175.510 0.167 0.000 1.044 265 N CA 1.512 54.632 53.050 0.116 0.000 0.847 265 N CB -0.326 38.231 38.487 0.116 0.000 1.030 265 N HN 0.425 nan 8.380 nan 0.000 0.422 266 W N 2.238 123.551 121.300 0.022 0.000 2.290 266 W HA -0.301 4.375 4.660 0.027 0.000 0.318 266 W C 2.078 178.634 176.519 0.061 0.000 1.248 266 W CA 1.821 59.179 57.345 0.022 0.000 1.263 266 W CB -0.307 29.140 29.460 -0.021 0.000 1.147 266 W HN 0.108 nan 8.180 nan 0.000 0.494 267 A N 0.673 123.549 122.820 0.094 0.000 2.019 267 A HA -0.219 4.116 4.320 0.025 0.000 0.219 267 A C 1.970 179.587 177.584 0.055 0.000 1.164 267 A CA 2.260 54.336 52.037 0.065 0.000 0.644 267 A CB -1.238 17.840 19.000 0.131 0.000 0.805 267 A HN 0.423 nan 8.150 nan 0.000 0.449 268 S N 0.481 116.193 115.700 0.020 0.000 2.547 268 S HA -0.186 4.299 4.470 0.025 0.000 0.235 268 S C 1.627 176.191 174.600 -0.060 0.000 0.980 268 S CA 0.913 59.116 58.200 0.005 0.000 0.941 268 S CB -0.608 62.597 63.200 0.008 0.000 0.763 268 S HN 0.864 nan 8.310 nan 0.000 0.532 269 Q N -0.239 119.503 119.800 -0.097 0.000 2.482 269 Q HA 0.248 4.604 4.340 0.025 0.000 0.209 269 Q C 1.314 177.301 176.000 -0.022 0.000 0.961 269 Q CA 0.587 56.362 55.803 -0.046 0.000 0.945 269 Q CB -0.191 28.542 28.738 -0.008 0.000 1.012 269 Q HN 0.605 nan 8.270 nan 0.000 0.515 270 I N -1.959 118.532 120.570 -0.131 0.000 4.787 270 I HA 0.162 4.347 4.170 0.025 0.000 0.309 270 I C -0.852 175.078 176.117 -0.311 0.000 1.169 270 I CA -0.317 60.820 61.300 -0.271 0.000 1.360 270 I CB 0.862 38.535 38.000 -0.544 0.000 1.591 270 I HN -0.013 nan 8.210 nan 0.000 0.480 271 Y N 5.272 125.489 120.300 -0.138 0.000 2.486 271 Y HA 0.400 4.964 4.550 0.024 0.000 0.348 271 Y C -2.087 173.764 175.900 -0.082 0.000 1.000 271 Y CA -2.287 55.754 58.100 -0.099 0.000 1.253 271 Y CB -0.127 38.288 38.460 -0.075 0.000 1.140 271 Y HN 0.090 nan 8.280 nan 0.000 0.526 272 P HA 0.227 nan 4.420 nan 0.000 0.281 272 P C 0.653 177.976 177.300 0.038 0.000 1.249 272 P CA 0.212 63.316 63.100 0.007 0.000 0.810 272 P CB 1.709 33.398 31.700 -0.019 0.000 1.008 273 G N 1.447 110.259 108.800 0.021 0.000 2.176 273 G HA2 -0.196 3.780 3.960 0.025 0.000 0.253 273 G HA3 -0.196 3.780 3.960 0.025 0.000 0.253 273 G C 0.284 175.192 174.900 0.012 0.000 0.979 273 G CA -0.438 44.672 45.100 0.018 0.000 0.641 273 G HN 0.459 nan 8.290 nan 0.000 0.530 274 I N 1.190 121.773 120.570 0.020 0.000 2.710 274 I HA 0.231 4.416 4.170 0.025 0.000 0.286 274 I C 0.736 176.852 176.117 -0.003 0.000 1.181 274 I CA 0.900 62.203 61.300 0.005 0.000 1.430 274 I CB 0.627 38.637 38.000 0.017 0.000 1.367 274 I HN 0.152 nan 8.210 nan 0.000 0.577 275 K N 4.853 125.243 120.400 -0.017 0.000 2.422 275 K HA 0.494 4.829 4.320 0.025 0.000 0.251 275 K C 0.147 176.729 176.600 -0.030 0.000 0.933 275 K CA -0.511 55.764 56.287 -0.020 0.000 0.798 275 K CB 2.897 35.382 32.500 -0.025 0.000 1.238 275 K HN 0.415 nan 8.250 nan 0.000 0.428 276 V N -1.243 118.655 119.914 -0.026 0.000 3.411 276 V HA 0.140 4.275 4.120 0.025 0.000 0.287 276 V C 1.760 177.831 176.094 -0.038 0.000 1.543 276 V CA -0.081 62.198 62.300 -0.035 0.000 1.028 276 V CB 0.238 32.050 31.823 -0.020 0.000 0.840 276 V HN 0.810 nan 8.190 nan 0.000 0.435 277 R N 0.788 121.268 120.500 -0.032 0.000 2.133 277 R HA -0.251 4.104 4.340 0.025 0.000 0.245 277 R C 2.273 178.547 176.300 -0.043 0.000 1.137 277 R CA 2.854 58.934 56.100 -0.033 0.000 0.947 277 R CB -0.221 30.060 30.300 -0.032 0.000 0.865 277 R HN 0.606 nan 8.270 nan 0.000 0.437 278 Q N 0.171 119.939 119.800 -0.053 0.000 2.079 278 Q HA -0.060 4.296 4.340 0.025 0.000 0.200 278 Q C 1.183 177.134 176.000 -0.082 0.000 0.974 278 Q CA 0.561 56.326 55.803 -0.064 0.000 0.840 278 Q CB -0.336 28.360 28.738 -0.070 0.000 0.898 278 Q HN 0.221 nan 8.270 nan 0.000 0.430 282 L N 1.730 122.929 121.223 -0.040 0.000 2.187 282 L HA -0.115 4.240 4.340 0.025 0.000 0.213 282 L C 1.927 178.789 176.870 -0.013 0.000 1.100 282 L CA 1.356 56.176 54.840 -0.033 0.000 0.765 282 L CB -0.450 41.577 42.059 -0.054 0.000 0.904 282 L HN 0.142 nan 8.230 nan 0.000 0.437 283 L N -0.789 120.427 121.223 -0.011 0.000 2.478 283 L HA -0.026 4.329 4.340 0.025 0.000 0.223 283 L C 1.003 177.874 176.870 0.000 0.000 1.140 283 L CA 0.027 54.867 54.840 -0.000 0.000 0.842 283 L CB -0.475 41.584 42.059 0.001 0.000 0.953 283 L HN 0.145 nan 8.230 nan 0.000 0.452 284 R N 1.141 121.638 120.500 -0.004 0.000 2.486 284 R HA 0.073 4.428 4.340 0.025 0.000 0.303 284 R C 1.266 177.566 176.300 0.000 0.000 0.958 284 R CA 0.756 56.854 56.100 -0.003 0.000 1.077 284 R CB -0.212 30.084 30.300 -0.006 0.000 0.921 284 R HN 0.348 nan 8.270 nan 0.000 0.406 285 G N 2.280 111.081 108.800 0.002 0.000 2.166 285 G HA2 -0.353 3.622 3.960 0.025 0.000 0.260 285 G HA3 -0.353 3.622 3.960 0.025 0.000 0.260 285 G C 0.360 175.263 174.900 0.006 0.000 0.986 285 G CA 0.649 45.751 45.100 0.003 0.000 0.683 285 G HN 0.759 nan 8.290 nan 0.000 0.527 286 T N -1.137 113.421 114.554 0.007 0.000 2.934 286 T HA 0.425 4.790 4.350 0.025 0.000 0.306 286 T C 1.393 176.099 174.700 0.010 0.000 1.042 286 T CA 0.694 62.801 62.100 0.011 0.000 1.145 286 T CB 1.426 70.302 68.868 0.014 0.000 0.982 286 T HN 0.769 nan 8.240 nan 0.000 0.544 287 K N 1.369 121.775 120.400 0.010 0.000 2.352 287 K HA 0.498 4.833 4.320 0.025 0.000 0.194 287 K C 0.447 177.052 176.600 0.009 0.000 1.038 287 K CA -0.145 56.147 56.287 0.009 0.000 1.023 287 K CB 0.528 33.033 32.500 0.008 0.000 0.840 287 K HN 0.734 nan 8.250 nan 0.000 0.519 288 A N 0.845 123.672 122.820 0.011 0.000 2.540 288 A HA 0.371 4.706 4.320 0.025 0.000 0.297 288 A C 0.098 177.691 177.584 0.014 0.000 1.056 288 A CA -0.731 51.312 52.037 0.011 0.000 0.700 288 A CB 1.037 20.042 19.000 0.009 0.000 1.280 288 A HN 0.036 nan 8.150 nan 0.000 0.398 289 L N 1.563 122.793 121.223 0.013 0.000 2.151 289 L HA -0.203 4.153 4.340 0.025 0.000 0.215 289 L C 2.722 179.603 176.870 0.018 0.000 1.084 289 L CA 3.014 57.863 54.840 0.016 0.000 0.764 289 L CB -0.707 41.358 42.059 0.010 0.000 0.891 289 L HN 0.985 nan 8.230 nan 0.000 0.435 290 T N -4.307 110.255 114.554 0.013 0.000 3.107 290 T HA 0.030 4.395 4.350 0.025 0.000 0.249 290 T C 0.774 175.484 174.700 0.016 0.000 1.096 290 T CA -0.340 61.767 62.100 0.011 0.000 1.012 290 T CB -0.330 68.539 68.868 0.003 0.000 0.977 290 T HN 0.361 nan 8.240 nan 0.000 0.527 291 E N 1.484 121.697 120.200 0.022 0.000 2.414 291 E HA 0.217 4.582 4.350 0.025 0.000 0.263 291 E C -0.903 175.721 176.600 0.040 0.000 1.000 291 E CA -0.383 56.032 56.400 0.026 0.000 0.914 291 E CB 0.680 30.395 29.700 0.024 0.000 0.948 291 E HN 0.127 nan 8.360 nan 0.000 0.444 292 V N 6.246 126.184 119.914 0.040 0.000 2.383 292 V HA 0.209 4.344 4.120 0.025 0.000 0.275 292 V C -0.090 176.044 176.094 0.067 0.000 1.036 292 V CA -0.495 61.841 62.300 0.060 0.000 0.889 292 V CB 0.796 32.648 31.823 0.047 0.000 0.985 292 V HN 0.547 nan 8.190 nan 0.000 0.459 293 I N 8.259 128.885 120.570 0.093 0.000 2.354 293 I HA 0.476 4.661 4.170 0.025 0.000 0.292 293 I C -2.190 173.977 176.117 0.084 0.000 0.989 293 I CA -2.280 59.062 61.300 0.070 0.000 1.188 293 I CB 1.719 39.749 38.000 0.050 0.000 1.342 293 I HN 0.455 nan 8.210 nan 0.000 0.457 294 P HA 0.223 nan 4.420 nan 0.000 0.275 294 P C -0.686 176.623 177.300 0.016 0.000 1.227 294 P CA -0.501 62.632 63.100 0.056 0.000 0.781 294 P CB 0.521 32.242 31.700 0.036 0.000 0.906 295 L N 2.796 124.021 121.223 0.003 0.000 2.360 295 L HA 0.210 4.565 4.340 0.025 0.000 0.276 295 L C 1.340 178.183 176.870 -0.045 0.000 1.121 295 L CA 0.568 55.364 54.840 -0.073 0.000 0.845 295 L CB 0.181 42.162 42.059 -0.130 0.000 1.143 295 L HN 0.496 nan 8.230 nan 0.000 0.452 296 T N -0.635 113.885 114.554 -0.056 0.000 2.732 296 T HA 0.114 4.479 4.350 0.025 0.000 0.287 296 T C 0.996 175.670 174.700 -0.043 0.000 0.993 296 T CA -0.234 61.843 62.100 -0.039 0.000 0.966 296 T CB 0.553 69.398 68.868 -0.039 0.000 1.047 296 T HN 0.704 nan 8.240 nan 0.000 0.527 297 E N -0.010 120.171 120.200 -0.032 0.000 2.047 297 E HA -0.152 4.213 4.350 0.025 0.000 0.191 297 E C 2.024 178.601 176.600 -0.039 0.000 0.987 297 E CA 1.308 57.691 56.400 -0.030 0.000 0.799 297 E CB -0.057 29.631 29.700 -0.021 0.000 0.752 297 E HN 0.739 nan 8.360 nan 0.000 0.449 298 E N 0.258 120.433 120.200 -0.041 0.000 2.150 298 E HA -0.116 4.249 4.350 0.025 0.000 0.193 298 E C 1.668 178.230 176.600 -0.063 0.000 0.985 298 E CA 0.990 57.363 56.400 -0.046 0.000 0.814 298 E CB -0.175 29.500 29.700 -0.041 0.000 0.752 298 E HN 0.297 nan 8.360 nan 0.000 0.466 299 A N 1.206 123.979 122.820 -0.079 0.000 1.873 299 A HA -0.192 4.143 4.320 0.025 0.000 0.215 299 A C 1.976 179.483 177.584 -0.129 0.000 1.186 299 A CA 1.282 53.249 52.037 -0.117 0.000 0.616 299 A CB -0.330 18.584 19.000 -0.145 0.000 0.823 299 A HN 0.068 nan 8.150 nan 0.000 0.442 300 E N -0.501 119.636 120.200 -0.105 0.000 2.118 300 E HA -0.189 4.176 4.350 0.025 0.000 0.195 300 E C 1.914 178.475 176.600 -0.066 0.000 0.992 300 E CA 1.083 57.431 56.400 -0.086 0.000 0.804 300 E CB -0.400 29.270 29.700 -0.050 0.000 0.741 300 E HN 0.476 nan 8.360 nan 0.000 0.458 301 L N 1.349 122.539 121.223 -0.056 0.000 2.141 301 L HA -0.131 4.224 4.340 0.025 0.000 0.209 301 L C 2.267 179.107 176.870 -0.050 0.000 1.094 301 L CA 1.661 56.475 54.840 -0.044 0.000 0.763 301 L CB -0.302 41.735 42.059 -0.037 0.000 0.908 301 L HN 0.082 nan 8.230 nan 0.000 0.437 302 E N -0.726 119.435 120.200 -0.065 0.000 2.016 302 E HA -0.211 4.154 4.350 0.025 0.000 0.190 302 E C 2.319 178.873 176.600 -0.077 0.000 0.985 302 E CA 1.118 57.477 56.400 -0.068 0.000 0.802 302 E CB -0.254 29.398 29.700 -0.080 0.000 0.762 302 E HN 0.459 nan 8.360 nan 0.000 0.448 303 L N 0.606 121.766 121.223 -0.105 0.000 1.978 303 L HA -0.303 4.052 4.340 0.025 0.000 0.218 303 L C 2.583 179.415 176.870 -0.064 0.000 1.075 303 L CA 1.790 56.565 54.840 -0.109 0.000 0.767 303 L CB -0.519 41.449 42.059 -0.152 0.000 0.890 303 L HN 0.317 nan 8.230 nan 0.000 0.434 304 A N -0.843 121.948 122.820 -0.049 0.000 1.948 304 A HA -0.294 4.041 4.320 0.025 0.000 0.220 304 A C 2.048 179.614 177.584 -0.031 0.000 1.177 304 A CA 2.135 54.155 52.037 -0.029 0.000 0.636 304 A CB -0.596 18.391 19.000 -0.022 0.000 0.815 304 A HN 0.601 nan 8.150 nan 0.000 0.449 305 E N -0.417 119.761 120.200 -0.036 0.000 2.106 305 E HA -0.149 4.217 4.350 0.025 0.000 0.192 305 E C 1.799 178.375 176.600 -0.039 0.000 0.984 305 E CA 0.944 57.325 56.400 -0.031 0.000 0.806 305 E CB -0.128 29.554 29.700 -0.030 0.000 0.750 305 E HN 0.577 nan 8.360 nan 0.000 0.458 306 N N 0.799 119.468 118.700 -0.051 0.000 2.120 306 N HA -0.124 4.631 4.740 0.025 0.000 0.188 306 N C 1.722 177.183 175.510 -0.082 0.000 1.024 306 N CA 0.869 53.878 53.050 -0.068 0.000 0.852 306 N CB -0.196 38.248 38.487 -0.072 0.000 1.003 306 N HN 0.117 nan 8.380 nan 0.000 0.424 307 R N 0.858 121.323 120.500 -0.058 0.000 2.096 307 R HA -0.163 4.192 4.340 0.025 0.000 0.240 307 R C 2.018 178.287 176.300 -0.052 0.000 1.139 307 R CA 1.360 57.431 56.100 -0.050 0.000 0.952 307 R CB -0.201 30.086 30.300 -0.021 0.000 0.854 307 R HN 0.190 nan 8.270 nan 0.000 0.436 308 E N 0.816 120.994 120.200 -0.037 0.000 2.023 308 E HA -0.160 4.205 4.350 0.025 0.000 0.196 308 E C 1.840 178.424 176.600 -0.026 0.000 1.003 308 E CA 1.378 57.764 56.400 -0.023 0.000 0.809 308 E CB -0.231 29.461 29.700 -0.013 0.000 0.755 308 E HN 0.237 nan 8.360 nan 0.000 0.449 309 I N 0.188 120.737 120.570 -0.034 0.000 2.194 309 I HA -0.318 3.867 4.170 0.025 0.000 0.246 309 I C 2.186 178.248 176.117 -0.092 0.000 1.093 309 I CA 1.115 62.404 61.300 -0.018 0.000 1.355 309 I CB -0.265 37.723 38.000 -0.020 0.000 1.046 309 I HN 0.168 nan 8.210 nan 0.000 0.413 310 L N 0.052 121.135 121.223 -0.233 0.000 2.291 310 L HA -0.149 4.206 4.340 0.025 0.000 0.214 310 L C 2.465 179.244 176.870 -0.151 0.000 1.120 310 L CA 0.886 55.489 54.840 -0.395 0.000 0.799 310 L CB -0.465 41.377 42.059 -0.361 0.000 0.925 310 L HN 0.176 nan 8.230 nan 0.000 0.446 311 K N 1.026 121.391 120.400 -0.058 0.000 2.009 311 K HA -0.159 4.176 4.320 0.025 0.000 0.210 311 K C 0.407 177.030 176.600 0.038 0.000 1.049 311 K CA 1.287 57.571 56.287 -0.005 0.000 0.929 311 K CB -0.133 32.367 32.500 0.000 0.000 0.714 311 K HN 0.427 nan 8.250 nan 0.000 0.440 312 E N 2.780 123.018 120.200 0.064 0.000 1.963 312 E HA 0.168 4.533 4.350 0.025 0.000 0.274 312 E C -2.380 174.319 176.600 0.165 0.000 1.061 312 E CA -2.052 54.401 56.400 0.088 0.000 0.847 312 E CB 0.327 30.067 29.700 0.066 0.000 1.083 312 E HN 0.084 nan 8.360 nan 0.000 0.402 313 P HA -0.049 nan 4.420 nan 0.000 0.269 313 P C -0.350 177.006 177.300 0.093 0.000 1.211 313 P CA -0.258 62.975 63.100 0.221 0.000 0.781 313 P CB 0.912 32.704 31.700 0.155 0.000 0.877 314 V N -1.150 118.704 119.914 -0.100 0.000 2.841 314 V HA 0.585 4.720 4.120 0.025 0.000 0.310 314 V C -0.314 175.595 176.094 -0.308 0.000 1.090 314 V CA -0.848 61.336 62.300 -0.193 0.000 0.930 314 V CB 1.684 33.287 31.823 -0.366 0.000 1.014 314 V HN 0.863 nan 8.190 nan 0.000 0.425 315 H N 2.328 121.195 119.070 -0.340 0.000 2.676 315 H HA 0.880 5.452 4.556 0.026 0.000 0.352 315 H C -0.037 175.027 175.328 -0.441 0.000 1.193 315 H CA -0.724 55.070 56.048 -0.423 0.000 1.243 315 H CB 1.982 31.589 29.762 -0.259 0.000 1.751 315 H HN 1.037 nan 8.280 nan 0.000 0.567 316 G N -0.168 108.225 108.800 -0.678 0.000 2.432 316 G HA2 0.458 4.433 3.960 0.025 0.000 0.331 316 G HA3 0.458 4.433 3.960 0.025 0.000 0.331 316 G C -0.872 174.111 174.900 0.139 0.000 1.170 316 G CA -0.550 44.406 45.100 -0.239 0.000 0.943 316 G HN 0.557 nan 8.290 nan 0.000 0.483 317 V N 0.522 120.515 119.914 0.132 0.000 3.096 317 V HA 0.680 4.815 4.120 0.025 0.000 0.319 317 V C -0.496 175.609 176.094 0.018 0.000 1.082 317 V CA -0.879 61.435 62.300 0.023 0.000 1.022 317 V CB 1.359 33.211 31.823 0.047 0.000 1.103 317 V HN 0.592 nan 8.190 nan 0.000 0.455 318 Y N 1.693 122.131 120.300 0.229 0.000 2.286 318 Y HA 0.309 4.875 4.550 0.026 0.000 0.347 318 Y C -0.047 175.980 175.900 0.213 0.000 1.351 318 Y CA -0.368 57.842 58.100 0.183 0.000 1.640 318 Y CB 0.238 38.779 38.460 0.135 0.000 1.560 318 Y HN 0.630 nan 8.280 nan 0.000 0.574 319 Y N 1.442 121.926 120.300 0.307 0.000 2.336 319 Y HA 0.235 4.800 4.550 0.025 0.000 0.335 319 Y C -0.564 175.404 175.900 0.114 0.000 1.046 319 Y CA -0.858 57.349 58.100 0.178 0.000 1.198 319 Y CB 0.620 39.251 38.460 0.285 0.000 1.182 319 Y HN 0.532 nan 8.280 nan 0.000 0.502 320 D N 9.427 129.652 120.400 -0.292 0.000 2.473 320 D HA 0.227 4.882 4.640 0.025 0.000 0.226 320 D C -1.931 173.919 176.300 -0.750 0.000 1.089 320 D CA -2.841 50.931 54.000 -0.378 0.000 0.883 320 D CB 1.492 42.200 40.800 -0.154 0.000 1.029 320 D HN 0.359 nan 8.370 nan 0.000 0.517 321 P HA -0.165 nan 4.420 nan 0.000 0.226 321 P C 1.056 178.166 177.300 -0.316 0.000 1.146 321 P CA 0.691 63.330 63.100 -0.769 0.000 0.773 321 P CB 0.153 31.610 31.700 -0.406 0.000 0.772 322 S N -1.297 114.255 115.700 -0.246 0.000 2.406 322 S HA -0.033 4.452 4.470 0.025 0.000 0.228 322 S C 1.070 175.605 174.600 -0.108 0.000 1.020 322 S CA 0.362 58.482 58.200 -0.132 0.000 0.965 322 S CB -0.522 62.619 63.200 -0.098 0.000 0.798 322 S HN 0.168 nan 8.310 nan 0.000 0.488 323 K N 1.219 121.539 120.400 -0.133 0.000 2.168 323 K HA 0.413 4.748 4.320 0.025 0.000 0.239 323 K C -0.918 175.633 176.600 -0.082 0.000 0.999 323 K CA -0.866 55.368 56.287 -0.089 0.000 0.900 323 K CB 0.424 32.880 32.500 -0.072 0.000 1.111 323 K HN 0.121 nan 8.250 nan 0.000 0.452 324 D N 1.016 121.373 120.400 -0.072 0.000 2.360 324 D HA 0.170 4.825 4.640 0.025 0.000 0.242 324 D C -0.106 176.103 176.300 -0.152 0.000 1.184 324 D CA 0.025 53.968 54.000 -0.094 0.000 0.930 324 D CB 0.741 41.486 40.800 -0.092 0.000 1.161 324 D HN 0.178 nan 8.370 nan 0.000 0.447 325 L N 1.758 122.841 121.223 -0.235 0.000 2.295 325 L HA 0.362 4.717 4.340 0.025 0.000 0.285 325 L C -0.334 176.272 176.870 -0.440 0.000 1.035 325 L CA -0.670 53.925 54.840 -0.407 0.000 0.806 325 L CB 1.157 42.889 42.059 -0.546 0.000 1.214 325 L HN 0.097 nan 8.230 nan 0.000 0.426 326 I N 2.843 123.076 120.570 -0.562 0.000 2.465 326 I HA 0.559 4.744 4.170 0.025 0.000 0.291 326 I C 0.008 175.578 176.117 -0.911 0.000 1.014 326 I CA -0.553 60.328 61.300 -0.699 0.000 1.093 326 I CB 1.797 39.375 38.000 -0.703 0.000 1.267 326 I HN 0.555 nan 8.210 nan 0.000 0.431 327 A N 5.289 127.645 122.820 -0.772 0.000 2.331 327 A HA 0.711 5.046 4.320 0.025 0.000 0.320 327 A C -0.527 176.839 177.584 -0.363 0.000 1.138 327 A CA -0.533 51.122 52.037 -0.636 0.000 0.790 327 A CB 1.500 19.940 19.000 -0.933 0.000 1.206 327 A HN 0.770 nan 8.150 nan 0.000 0.470 328 E N 2.156 122.242 120.200 -0.190 0.000 2.222 328 E HA 0.695 5.061 4.350 0.025 0.000 0.267 328 E C -1.486 175.175 176.600 0.102 0.000 0.884 328 E CA -0.476 55.913 56.400 -0.018 0.000 0.764 328 E CB 1.397 31.103 29.700 0.011 0.000 1.169 328 E HN 0.634 nan 8.360 nan 0.000 0.413 329 I N 3.022 123.667 120.570 0.125 0.000 2.569 329 I HA 0.330 4.515 4.170 0.025 0.000 0.296 329 I C -0.855 175.383 176.117 0.202 0.000 1.028 329 I CA -0.839 60.572 61.300 0.185 0.000 1.082 329 I CB 2.026 40.094 38.000 0.113 0.000 1.264 329 I HN 0.492 nan 8.210 nan 0.000 0.429 330 Q N 3.889 123.843 119.800 0.256 0.000 2.423 330 Q HA 0.427 4.782 4.340 0.025 0.000 0.278 330 Q C -0.957 175.173 176.000 0.217 0.000 1.097 330 Q CA -0.917 55.007 55.803 0.202 0.000 0.809 330 Q CB 2.400 31.201 28.738 0.105 0.000 1.391 330 Q HN 0.324 nan 8.270 nan 0.000 0.428 331 K N 1.570 121.967 120.400 -0.004 0.000 2.267 331 K HA 0.149 4.484 4.320 0.025 0.000 0.282 331 K C -0.620 175.802 176.600 -0.296 0.000 1.078 331 K CA -0.064 55.924 56.287 -0.498 0.000 0.903 331 K CB 0.675 32.754 32.500 -0.702 0.000 1.111 331 K HN 0.633 nan 8.250 nan 0.000 0.475 332 Q N 3.935 123.573 119.800 -0.271 0.000 2.819 332 Q HA 0.234 4.589 4.340 0.025 0.000 0.392 332 Q C -0.641 175.255 176.000 -0.174 0.000 1.088 332 Q CA -0.140 55.574 55.803 -0.147 0.000 1.062 332 Q CB 0.340 29.041 28.738 -0.062 0.000 1.369 332 Q HN 0.978 nan 8.270 nan 0.000 0.434 333 G N 1.209 109.874 108.800 -0.226 0.000 2.497 333 G HA2 -0.207 3.768 3.960 0.025 0.000 0.686 333 G HA3 -0.207 3.768 3.960 0.025 0.000 0.686 333 G C -1.237 173.517 174.900 -0.244 0.000 1.288 333 G CA -0.848 44.143 45.100 -0.182 0.000 0.899 333 G HN 0.433 nan 8.290 nan 0.000 0.608 334 Q N 0.206 119.913 119.800 -0.155 0.000 2.300 334 Q HA 0.401 4.756 4.340 0.025 0.000 0.280 334 Q C 1.637 177.570 176.000 -0.111 0.000 1.033 334 Q CA 1.558 57.283 55.803 -0.130 0.000 0.903 334 Q CB 0.070 28.759 28.738 -0.081 0.000 1.195 334 Q HN 2.571 nan 8.270 nan 0.000 0.386 335 G N 3.010 111.767 108.800 -0.072 0.000 2.186 335 G HA2 -0.252 3.723 3.960 0.025 0.000 0.266 335 G HA3 -0.252 3.723 3.960 0.025 0.000 0.266 335 G C -0.226 174.712 174.900 0.063 0.000 0.982 335 G CA 0.440 45.580 45.100 0.067 0.000 0.670 335 G HN 0.581 nan 8.290 nan 0.000 0.533 336 Q N -1.078 118.604 119.800 -0.196 0.000 2.331 336 Q HA 0.619 4.974 4.340 0.025 0.000 0.267 336 Q C -0.882 174.907 176.000 -0.352 0.000 1.006 336 Q CA -0.368 55.368 55.803 -0.113 0.000 0.818 336 Q CB 1.539 30.225 28.738 -0.086 0.000 1.276 336 Q HN 0.422 nan 8.270 nan 0.000 0.450 337 W N 0.857 122.240 121.300 0.138 0.000 2.915 337 W HA 0.533 5.212 4.660 0.031 0.000 0.337 337 W C -0.055 176.558 176.519 0.157 0.000 1.102 337 W CA -0.589 56.834 57.345 0.130 0.000 1.224 337 W CB 1.783 31.316 29.460 0.120 0.000 1.416 337 W HN 0.446 nan 8.180 nan 0.000 0.503 338 T N -0.371 114.394 114.554 0.352 0.000 2.908 338 T HA 0.830 5.195 4.350 0.025 0.000 0.290 338 T C -1.228 173.645 174.700 0.288 0.000 1.034 338 T CA -0.760 61.472 62.100 0.221 0.000 1.010 338 T CB 1.912 70.836 68.868 0.094 0.000 1.068 338 T HN 0.520 nan 8.240 nan 0.000 0.481 339 Y N -0.688 119.678 120.300 0.111 0.000 2.638 339 Y HA 0.810 5.374 4.550 0.023 0.000 0.335 339 Y C -1.688 174.236 175.900 0.040 0.000 1.155 339 Y CA -1.395 56.748 58.100 0.071 0.000 1.046 339 Y CB 1.465 39.969 38.460 0.074 0.000 1.303 339 Y HN 0.667 nan 8.280 nan 0.000 0.460 340 Q N 2.128 122.041 119.800 0.189 0.000 2.309 340 Q HA 0.655 5.010 4.340 0.025 0.000 0.273 340 Q C -1.693 174.331 176.000 0.041 0.000 1.040 340 Q CA -0.555 55.294 55.803 0.078 0.000 0.834 340 Q CB 3.274 32.036 28.738 0.040 0.000 1.345 340 Q HN 0.762 nan 8.270 nan 0.000 0.414 341 I N 3.320 123.904 120.570 0.023 0.000 2.389 341 I HA 0.528 4.713 4.170 0.025 0.000 0.288 341 I C -1.076 174.940 176.117 -0.167 0.000 0.999 341 I CA -0.969 60.213 61.300 -0.197 0.000 1.129 341 I CB 0.541 38.461 38.000 -0.134 0.000 1.288 341 I HN 0.629 nan 8.210 nan 0.000 0.444 342 Y N 3.447 123.626 120.300 -0.202 0.000 2.665 342 Y HA 0.611 5.174 4.550 0.022 0.000 0.336 342 Y C 0.061 175.846 175.900 -0.192 0.000 1.085 342 Y CA -0.939 57.057 58.100 -0.173 0.000 1.096 342 Y CB 1.020 39.382 38.460 -0.164 0.000 1.301 342 Y HN 0.437 nan 8.280 nan 0.000 0.493 343 Q N -0.632 119.268 119.800 0.165 0.000 2.631 343 Q HA 0.205 4.560 4.340 0.025 0.000 0.220 343 Q C -0.533 175.553 176.000 0.144 0.000 0.819 343 Q CA -0.138 55.704 55.803 0.064 0.000 0.914 343 Q CB 0.702 29.432 28.738 -0.013 0.000 1.248 343 Q HN 0.588 nan 8.270 nan 0.000 0.629 344 E N 3.131 123.390 120.200 0.099 0.000 2.259 344 E HA 0.185 4.550 4.350 0.025 0.000 0.281 344 E C -2.397 174.198 176.600 -0.008 0.000 1.027 344 E CA -2.169 54.258 56.400 0.046 0.000 0.838 344 E CB 0.839 30.551 29.700 0.020 0.000 1.066 344 E HN 0.104 nan 8.360 nan 0.000 0.401 345 P HA -0.142 nan 4.420 nan 0.000 0.251 345 P C -0.306 176.933 177.300 -0.102 0.000 1.154 345 P CA 0.531 63.505 63.100 -0.210 0.000 0.805 345 P CB -0.223 31.485 31.700 0.014 0.000 0.759 346 F N 0.194 119.630 119.950 -0.857 0.000 2.840 346 F HA -0.201 4.338 4.527 0.019 0.000 0.310 346 F C 0.894 176.542 175.800 -0.253 0.000 0.688 346 F CA 1.050 58.759 58.000 -0.485 0.000 1.286 346 F CB -1.911 36.901 39.000 -0.313 0.000 1.612 346 F HN 0.331 nan 8.300 nan 0.000 0.335 347 K N 1.450 121.800 120.400 -0.085 0.000 2.360 347 K HA 0.255 4.590 4.320 0.025 0.000 0.235 347 K C 0.051 176.665 176.600 0.024 0.000 1.077 347 K CA -0.496 55.778 56.287 -0.022 0.000 1.035 347 K CB 0.183 32.682 32.500 -0.001 0.000 1.623 347 K HN -0.011 nan 8.250 nan 0.000 0.462 348 N N 2.466 121.168 118.700 0.003 0.000 2.412 348 N HA -0.062 4.693 4.740 0.025 0.000 0.254 348 N C 0.840 176.423 175.510 0.121 0.000 1.232 348 N CA 0.280 53.366 53.050 0.060 0.000 0.880 348 N CB 0.747 39.234 38.487 0.001 0.000 1.076 348 N HN 0.406 nan 8.380 nan 0.000 0.458 349 L N 1.470 122.797 121.223 0.175 0.000 2.286 349 L HA 0.119 4.475 4.340 0.025 0.000 0.203 349 L C 0.446 177.571 176.870 0.425 0.000 1.068 349 L CA 0.960 55.971 54.840 0.284 0.000 0.811 349 L CB 0.012 42.195 42.059 0.207 0.000 0.989 349 L HN 0.681 nan 8.230 nan 0.000 0.467 350 K N -1.987 118.597 120.400 0.307 0.000 2.610 350 K HA 0.522 4.857 4.320 0.025 0.000 0.278 350 K C -0.751 175.940 176.600 0.152 0.000 0.964 350 K CA -0.477 56.003 56.287 0.322 0.000 0.859 350 K CB 1.226 33.912 32.500 0.310 0.000 1.434 350 K HN -0.102 nan 8.250 nan 0.000 0.410 351 T N -1.725 112.848 114.554 0.032 0.000 2.773 351 T HA 0.961 5.326 4.350 0.025 0.000 0.278 351 T C 0.098 174.518 174.700 -0.467 0.000 1.011 351 T CA -0.532 61.445 62.100 -0.206 0.000 1.014 351 T CB 1.644 70.409 68.868 -0.173 0.000 1.293 351 T HN 1.331 nan 8.240 nan 0.000 0.554 352 G N -0.066 108.195 108.800 -0.898 0.000 2.328 352 G HA2 0.550 4.525 3.960 0.025 0.000 0.295 352 G HA3 0.550 4.525 3.960 0.025 0.000 0.295 352 G C -2.208 172.332 174.900 -0.600 0.000 1.413 352 G CA -1.013 43.614 45.100 -0.788 0.000 0.817 352 G HN 0.967 nan 8.290 nan 0.000 0.546 353 K N -0.969 119.388 120.400 -0.071 0.000 2.464 353 K HA 0.684 5.019 4.320 0.025 0.000 0.253 353 K C -2.034 174.781 176.600 0.358 0.000 0.933 353 K CA -1.102 55.290 56.287 0.175 0.000 0.801 353 K CB 2.900 35.465 32.500 0.108 0.000 1.271 353 K HN 0.582 nan 8.250 nan 0.000 0.430 354 Y N 1.573 122.059 120.300 0.311 0.000 2.328 354 Y HA 0.546 5.111 4.550 0.025 0.000 0.336 354 Y C -0.375 175.688 175.900 0.273 0.000 0.960 354 Y CA -0.556 57.695 58.100 0.252 0.000 1.134 354 Y CB 1.881 40.457 38.460 0.192 0.000 1.166 354 Y HN 0.874 nan 8.280 nan 0.000 0.464 355 A N 5.909 128.777 122.820 0.080 0.000 2.469 355 A HA 0.217 4.552 4.320 0.025 0.000 0.245 355 A C 0.742 178.297 177.584 -0.047 0.000 1.221 355 A CA -0.489 51.613 52.037 0.109 0.000 0.946 355 A CB -0.060 18.976 19.000 0.060 0.000 1.049 355 A HN 0.696 nan 8.150 nan 0.000 0.529 356 R N 1.016 121.254 120.500 -0.435 0.000 2.473 356 R HA 0.206 4.561 4.340 0.025 0.000 0.315 356 R C -0.254 175.994 176.300 -0.086 0.000 0.972 356 R CA 0.215 56.083 56.100 -0.387 0.000 1.047 356 R CB -0.019 29.858 30.300 -0.706 0.000 0.932 356 R HN 0.453 nan 8.270 nan 0.000 0.411 357 M N 5.822 125.417 119.600 -0.009 0.000 2.129 357 M HA 0.294 4.789 4.480 0.025 0.000 0.348 357 M C -0.793 175.528 176.300 0.034 0.000 1.116 357 M CA -0.440 54.893 55.300 0.055 0.000 1.022 357 M CB 0.965 33.591 32.600 0.044 0.000 1.599 357 M HN 0.544 nan 8.290 nan 0.000 0.449 358 R N 4.194 124.732 120.500 0.063 0.000 2.247 358 R HA 0.655 5.011 4.340 0.025 0.000 0.329 358 R C -0.170 176.165 176.300 0.058 0.000 1.014 358 R CA -0.289 55.846 56.100 0.059 0.000 0.907 358 R CB 0.964 31.315 30.300 0.085 0.000 1.146 358 R HN 1.022 nan 8.270 nan 0.000 0.499 359 G N 1.000 109.818 108.800 0.030 0.000 2.629 359 G HA2 -0.105 3.870 3.960 0.025 0.000 0.686 359 G HA3 -0.105 3.870 3.960 0.025 0.000 0.686 359 G C 0.319 175.172 174.900 -0.080 0.000 1.232 359 G CA -0.436 44.670 45.100 0.010 0.000 0.803 359 G HN 0.523 nan 8.290 nan 0.000 0.638 360 A N 0.502 123.180 122.820 -0.235 0.000 2.066 360 A HA 0.340 4.675 4.320 0.025 0.000 0.218 360 A C 1.008 178.237 177.584 -0.592 0.000 1.157 360 A CA 2.014 53.761 52.037 -0.483 0.000 0.670 360 A CB -0.303 18.278 19.000 -0.699 0.000 0.804 360 A HN 1.087 nan 8.150 nan 0.000 0.453 361 H N -1.189 117.924 119.070 0.072 0.000 2.821 361 H HA 0.621 5.191 4.556 0.024 0.000 0.373 361 H C -0.645 174.716 175.328 0.055 0.000 1.165 361 H CA 0.172 56.254 56.048 0.057 0.000 1.154 361 H CB 1.557 31.356 29.762 0.061 0.000 1.765 361 H HN 0.254 nan 8.280 nan 0.000 0.549 362 T N -0.417 114.216 114.554 0.133 0.000 2.700 362 T HA 0.322 4.687 4.350 0.025 0.000 0.307 362 T C -0.682 173.995 174.700 -0.038 0.000 1.580 362 T CA -1.223 60.895 62.100 0.029 0.000 0.992 362 T CB 1.612 70.490 68.868 0.016 0.000 1.577 362 T HN 0.727 nan 8.240 nan 0.000 0.496 363 N N -1.169 117.421 118.700 -0.184 0.000 2.577 363 N HA 0.503 5.258 4.740 0.025 0.000 0.285 363 N C -0.163 175.253 175.510 -0.156 0.000 1.309 363 N CA -0.906 52.027 53.050 -0.196 0.000 0.798 363 N CB 0.500 38.748 38.487 -0.398 0.000 1.463 363 N HN 0.440 nan 8.380 nan 0.000 0.518 364 D N -0.491 119.893 120.400 -0.027 0.000 2.218 364 D HA -0.071 4.584 4.640 0.025 0.000 0.204 364 D C 1.581 177.829 176.300 -0.087 0.000 0.976 364 D CA 0.848 54.933 54.000 0.141 0.000 0.853 364 D CB -0.106 40.853 40.800 0.264 0.000 0.939 364 D HN 0.356 nan 8.370 nan 0.000 0.481 365 V N 0.906 120.603 119.914 -0.362 0.000 2.427 365 V HA -0.198 3.938 4.120 0.025 0.000 0.248 365 V C 2.304 178.080 176.094 -0.529 0.000 1.051 365 V CA 1.369 63.370 62.300 -0.499 0.000 1.048 365 V CB -0.281 31.024 31.823 -0.864 0.000 0.666 365 V HN 0.165 nan 8.190 nan 0.000 0.456 366 K N -0.276 119.756 120.400 -0.612 0.000 2.007 366 K HA -0.177 4.158 4.320 0.025 0.000 0.206 366 K C 2.332 178.757 176.600 -0.292 0.000 1.047 366 K CA 1.431 57.489 56.287 -0.382 0.000 0.937 366 K CB -0.212 32.094 32.500 -0.323 0.000 0.718 366 K HN 0.406 nan 8.250 nan 0.000 0.438 367 Q N 0.876 120.523 119.800 -0.255 0.000 2.014 367 Q HA -0.230 4.126 4.340 0.025 0.000 0.207 367 Q C 2.200 177.742 176.000 -0.763 0.000 0.993 367 Q CA 1.695 57.325 55.803 -0.287 0.000 0.850 367 Q CB -0.205 28.558 28.738 0.042 0.000 0.916 367 Q HN 0.159 nan 8.270 nan 0.000 0.417 368 L N 0.300 120.951 121.223 -0.952 0.000 1.978 368 L HA -0.252 4.103 4.340 0.025 0.000 0.218 368 L C 2.189 178.581 176.870 -0.796 0.000 1.075 368 L CA 2.487 56.633 54.840 -1.156 0.000 0.767 368 L CB -1.220 40.370 42.059 -0.782 0.000 0.890 368 L HN 0.230 nan 8.230 nan 0.000 0.434 369 T N -0.356 113.892 114.554 -0.510 0.000 2.635 369 T HA -0.253 4.113 4.350 0.025 0.000 0.267 369 T C 1.691 176.138 174.700 -0.421 0.000 1.040 369 T CA 2.020 63.901 62.100 -0.364 0.000 1.156 369 T CB -0.304 68.515 68.868 -0.081 0.000 0.863 369 T HN 0.510 nan 8.240 nan 0.000 0.430 370 E N 0.873 120.840 120.200 -0.389 0.000 2.038 370 E HA -0.092 4.274 4.350 0.025 0.000 0.195 370 E C 2.589 178.814 176.600 -0.625 0.000 1.000 370 E CA 1.048 57.249 56.400 -0.332 0.000 0.803 370 E CB -0.311 29.306 29.700 -0.138 0.000 0.750 370 E HN 0.475 nan 8.360 nan 0.000 0.448 371 A N 0.987 123.110 122.820 -1.162 0.000 1.948 371 A HA -0.212 4.123 4.320 0.025 0.000 0.220 371 A C 2.517 179.641 177.584 -0.767 0.000 1.177 371 A CA 1.549 52.717 52.037 -1.448 0.000 0.636 371 A CB -0.863 17.269 19.000 -1.446 0.000 0.815 371 A HN 0.141 nan 8.150 nan 0.000 0.449 372 V N -0.246 119.229 119.914 -0.733 0.000 2.287 372 V HA -0.315 3.820 4.120 0.025 0.000 0.248 372 V C 2.751 178.547 176.094 -0.497 0.000 1.053 372 V CA 2.445 64.276 62.300 -0.781 0.000 1.027 372 V CB -0.810 30.413 31.823 -1.001 0.000 0.646 372 V HN 0.716 nan 8.190 nan 0.000 0.447 373 Q N 0.669 120.248 119.800 -0.368 0.000 2.084 373 Q HA -0.211 4.144 4.340 0.025 0.000 0.202 373 Q C 2.277 178.211 176.000 -0.109 0.000 0.978 373 Q CA 1.889 57.580 55.803 -0.188 0.000 0.844 373 Q CB -0.500 28.169 28.738 -0.116 0.000 0.898 373 Q HN 0.499 nan 8.270 nan 0.000 0.426 374 K N 0.241 120.574 120.400 -0.112 0.000 2.026 374 K HA -0.130 4.205 4.320 0.025 0.000 0.208 374 K C 2.032 178.597 176.600 -0.058 0.000 1.048 374 K CA 1.595 57.878 56.287 -0.008 0.000 0.929 374 K CB -0.427 32.170 32.500 0.162 0.000 0.713 374 K HN 0.406 nan 8.250 nan 0.000 0.439 375 I N 0.800 121.277 120.570 -0.156 0.000 2.226 375 I HA -0.245 3.940 4.170 0.025 0.000 0.245 375 I C 2.216 178.344 176.117 0.019 0.000 1.100 375 I CA 1.358 62.563 61.300 -0.159 0.000 1.374 375 I CB -0.450 37.451 38.000 -0.165 0.000 1.057 375 I HN 0.174 nan 8.210 nan 0.000 0.413 376 T N 0.105 114.712 114.554 0.088 0.000 2.674 376 T HA -0.177 4.188 4.350 0.025 0.000 0.265 376 T C 1.933 176.657 174.700 0.040 0.000 1.039 376 T CA 2.132 64.296 62.100 0.108 0.000 1.150 376 T CB -0.395 68.513 68.868 0.067 0.000 0.864 376 T HN 0.355 nan 8.240 nan 0.000 0.427 377 T N 1.612 116.173 114.554 0.012 0.000 2.652 377 T HA -0.155 4.210 4.350 0.025 0.000 0.267 377 T C 1.898 176.588 174.700 -0.018 0.000 1.039 377 T CA 1.566 63.668 62.100 0.004 0.000 1.153 377 T CB -0.385 68.487 68.868 0.007 0.000 0.863 377 T HN 0.508 nan 8.240 nan 0.000 0.428 378 E N 0.563 120.747 120.200 -0.026 0.000 2.086 378 E HA -0.181 4.184 4.350 0.025 0.000 0.200 378 E C 2.362 178.881 176.600 -0.134 0.000 1.012 378 E CA 1.553 57.911 56.400 -0.070 0.000 0.812 378 E CB -0.112 29.562 29.700 -0.042 0.000 0.743 378 E HN 0.384 nan 8.360 nan 0.000 0.453 379 S N 0.349 116.038 115.700 -0.018 0.000 2.382 379 S HA -0.119 4.366 4.470 0.025 0.000 0.228 379 S C 1.949 176.572 174.600 0.040 0.000 1.027 379 S CA 0.924 59.196 58.200 0.120 0.000 0.991 379 S CB -0.176 63.192 63.200 0.280 0.000 0.823 379 S HN 0.298 nan 8.310 nan 0.000 0.469 380 I N 0.946 121.519 120.570 0.006 0.000 2.394 380 I HA -0.119 4.066 4.170 0.025 0.000 0.251 380 I C 2.045 178.123 176.117 -0.065 0.000 1.136 380 I CA 0.788 62.087 61.300 -0.002 0.000 1.425 380 I CB -0.239 37.768 38.000 0.012 0.000 1.079 380 I HN 0.160 nan 8.210 nan 0.000 0.425 381 V N 0.708 120.551 119.914 -0.118 0.000 2.379 381 V HA -0.208 3.927 4.120 0.025 0.000 0.245 381 V C 2.127 178.058 176.094 -0.272 0.000 1.044 381 V CA 1.711 63.921 62.300 -0.150 0.000 1.036 381 V CB -0.114 31.630 31.823 -0.131 0.000 0.664 381 V HN 0.308 nan 8.190 nan 0.000 0.453 382 I N -1.873 118.399 120.570 -0.497 0.000 2.703 382 I HA -0.084 4.101 4.170 0.025 0.000 0.259 382 I C 1.910 177.466 176.117 -0.935 0.000 1.151 382 I CA 1.077 61.872 61.300 -0.841 0.000 1.470 382 I CB -0.015 37.117 38.000 -1.447 0.000 1.112 382 I HN 0.374 nan 8.210 nan 0.000 0.437 383 W N -0.122 120.993 121.300 -0.307 0.000 2.868 383 W HA 0.394 5.069 4.660 0.025 0.000 0.320 383 W C 1.470 177.859 176.519 -0.217 0.000 1.076 383 W CA 0.589 57.670 57.345 -0.440 0.000 1.576 383 W CB -0.312 28.781 29.460 -0.612 0.000 1.030 383 W HN 0.221 nan 8.180 nan 0.000 0.558 384 G N 2.627 111.442 108.800 0.025 0.000 2.160 384 G HA2 -0.304 3.671 3.960 0.025 0.000 0.251 384 G HA3 -0.304 3.671 3.960 0.025 0.000 0.251 384 G C 0.149 175.093 174.900 0.074 0.000 1.008 384 G CA 1.035 46.160 45.100 0.042 0.000 0.724 384 G HN 0.359 nan 8.290 nan 0.000 0.514 385 K N -1.529 118.928 120.400 0.095 0.000 2.575 385 K HA 0.700 5.035 4.320 0.025 0.000 0.279 385 K C -0.382 176.248 176.600 0.050 0.000 0.969 385 K CA -0.433 55.894 56.287 0.067 0.000 0.868 385 K CB 0.990 33.528 32.500 0.063 0.000 1.457 385 K HN 0.458 nan 8.250 nan 0.000 0.426 386 T N -0.223 114.340 114.554 0.016 0.000 2.837 386 T HA 0.463 4.828 4.350 0.025 0.000 0.285 386 T C -1.948 172.680 174.700 -0.121 0.000 0.984 386 T CA -1.498 60.594 62.100 -0.012 0.000 1.049 386 T CB 0.970 69.861 68.868 0.038 0.000 0.947 386 T HN 0.500 nan 8.240 nan 0.000 0.472 387 P HA 0.298 nan 4.420 nan 0.000 0.274 387 P C -0.887 176.123 177.300 -0.482 0.000 1.246 387 P CA -0.760 62.054 63.100 -0.477 0.000 0.795 387 P CB 0.868 32.134 31.700 -0.723 0.000 1.006 388 K N 1.156 121.319 120.400 -0.395 0.000 2.248 388 K HA 0.370 4.706 4.320 0.025 0.000 0.281 388 K C -0.253 176.165 176.600 -0.303 0.000 1.054 388 K CA -0.337 55.814 56.287 -0.228 0.000 0.903 388 K CB 0.323 32.734 32.500 -0.148 0.000 1.077 388 K HN 0.311 nan 8.250 nan 0.000 0.474 389 F N 2.099 121.972 119.950 -0.129 0.000 2.375 389 F HA 0.229 4.770 4.527 0.023 0.000 0.333 389 F C 0.848 176.622 175.800 -0.045 0.000 1.104 389 F CA -0.301 57.623 58.000 -0.127 0.000 1.149 389 F CB 0.839 39.736 39.000 -0.173 0.000 1.190 389 F HN 0.078 nan 8.300 nan 0.000 0.533 390 K N 4.725 125.199 120.400 0.124 0.000 2.425 390 K HA 0.497 4.832 4.320 0.025 0.000 0.259 390 K C -1.158 175.508 176.600 0.111 0.000 0.978 390 K CA -0.286 56.060 56.287 0.098 0.000 0.883 390 K CB 1.660 34.175 32.500 0.026 0.000 1.110 390 K HN 0.560 nan 8.250 nan 0.000 0.436 391 L N 4.311 125.627 121.223 0.156 0.000 2.346 391 L HA 0.423 4.778 4.340 0.025 0.000 0.276 391 L C -1.753 175.213 176.870 0.161 0.000 1.006 391 L CA -2.039 52.842 54.840 0.067 0.000 0.817 391 L CB 2.264 44.201 42.059 -0.204 0.000 1.272 391 L HN 0.260 nan 8.230 nan 0.000 0.421 392 P HA 0.123 nan 4.420 nan 0.000 0.246 392 P C -0.444 177.064 177.300 0.346 0.000 1.686 392 P CA 0.518 63.749 63.100 0.219 0.000 0.867 392 P CB 0.207 32.008 31.700 0.168 0.000 1.733 393 I N -0.618 120.203 120.570 0.418 0.000 2.686 393 I HA 0.265 4.450 4.170 0.025 0.000 0.295 393 I C -0.739 175.593 176.117 0.359 0.000 1.114 393 I CA -1.106 60.356 61.300 0.271 0.000 1.038 393 I CB 2.826 40.840 38.000 0.024 0.000 1.238 393 I HN -0.180 nan 8.210 nan 0.000 0.420 394 Q N 5.875 125.684 119.800 0.014 0.000 2.259 394 Q HA 0.271 4.626 4.340 0.025 0.000 0.249 394 Q C 0.584 176.740 176.000 0.261 0.000 0.914 394 Q CA -0.794 54.920 55.803 -0.149 0.000 0.904 394 Q CB 1.565 30.010 28.738 -0.489 0.000 1.213 394 Q HN 0.498 nan 8.270 nan 0.000 0.428 395 K N 1.905 122.451 120.400 0.243 0.000 2.052 395 K HA -0.307 4.028 4.320 0.025 0.000 0.215 395 K C 1.634 178.439 176.600 0.341 0.000 1.053 395 K CA 1.906 58.367 56.287 0.289 0.000 0.934 395 K CB -0.099 32.375 32.500 -0.043 0.000 0.717 395 K HN 0.749 nan 8.250 nan 0.000 0.450 396 E N 0.366 120.673 120.200 0.177 0.000 2.051 396 E HA -0.153 4.212 4.350 0.025 0.000 0.192 396 E C 1.723 178.439 176.600 0.194 0.000 0.991 396 E CA 1.731 58.232 56.400 0.167 0.000 0.799 396 E CB 0.053 29.796 29.700 0.072 0.000 0.748 396 E HN 0.288 nan 8.360 nan 0.000 0.449 397 T N 0.302 114.950 114.554 0.158 0.000 2.652 397 T HA -0.218 4.147 4.350 0.025 0.000 0.267 397 T C 1.127 175.973 174.700 0.243 0.000 1.039 397 T CA 1.534 63.718 62.100 0.140 0.000 1.153 397 T CB -0.685 68.230 68.868 0.078 0.000 0.863 397 T HN 0.419 nan 8.240 nan 0.000 0.428 398 W N 1.888 123.282 121.300 0.156 0.000 2.329 398 W HA -0.165 4.508 4.660 0.021 0.000 0.324 398 W C 2.514 179.235 176.519 0.337 0.000 1.222 398 W CA 1.662 59.123 57.345 0.194 0.000 1.270 398 W CB -0.565 29.000 29.460 0.176 0.000 1.167 398 W HN 0.342 nan 8.180 nan 0.000 0.467 399 E N -1.097 119.441 120.200 0.563 0.000 2.114 399 E HA -0.288 4.077 4.350 0.025 0.000 0.199 399 E C 1.978 178.769 176.600 0.319 0.000 1.008 399 E CA 2.393 59.144 56.400 0.584 0.000 0.810 399 E CB -0.382 29.675 29.700 0.594 0.000 0.739 399 E HN 0.205 nan 8.360 nan 0.000 0.456 400 T N 0.429 115.099 114.554 0.193 0.000 2.788 400 T HA -0.172 4.193 4.350 0.025 0.000 0.268 400 T C 1.146 175.855 174.700 0.015 0.000 1.044 400 T CA 1.243 63.384 62.100 0.069 0.000 1.139 400 T CB -0.361 68.551 68.868 0.072 0.000 0.867 400 T HN 0.482 nan 8.240 nan 0.000 0.454 401 W N 0.418 121.639 121.300 -0.132 0.000 2.453 401 W HA -0.079 4.599 4.660 0.030 0.000 0.289 401 W C 1.956 178.337 176.519 -0.230 0.000 1.215 401 W CA 0.499 57.712 57.345 -0.221 0.000 1.297 401 W CB -0.635 28.651 29.460 -0.290 0.000 1.113 401 W HN 0.372 nan 8.180 nan 0.000 0.551 402 W N 2.979 123.958 121.300 -0.535 0.000 2.277 402 W HA -0.305 4.368 4.660 0.023 0.000 0.330 402 W C 2.392 178.631 176.519 -0.468 0.000 1.263 402 W CA 4.076 61.047 57.345 -0.624 0.000 1.211 402 W CB -1.055 28.031 29.460 -0.623 0.000 1.167 402 W HN -0.218 nan 8.180 nan 0.000 0.459 403 T N 1.454 115.416 114.554 -0.988 0.000 2.778 403 T HA -0.308 4.057 4.350 0.025 0.000 0.269 403 T C 1.415 175.765 174.700 -0.584 0.000 1.050 403 T CA 2.030 63.495 62.100 -1.058 0.000 1.137 403 T CB -0.699 67.554 68.868 -1.025 0.000 0.860 403 T HN 0.683 nan 8.240 nan 0.000 0.468 404 E N -0.325 119.573 120.200 -0.504 0.000 2.427 404 E HA -0.067 4.298 4.350 0.025 0.000 0.196 404 E C 0.289 176.620 176.600 -0.448 0.000 1.028 404 E CA 0.105 56.268 56.400 -0.395 0.000 0.864 404 E CB -0.159 29.340 29.700 -0.335 0.000 0.813 404 E HN 0.472 nan 8.360 nan 0.000 0.514 405 Y N 1.259 121.043 120.300 -0.860 0.000 2.310 405 Y HA 0.180 4.747 4.550 0.028 0.000 0.326 405 Y C 0.431 176.026 175.900 -0.508 0.000 1.151 405 Y CA -2.193 55.322 58.100 -0.974 0.000 1.195 405 Y CB 0.653 38.335 38.460 -1.296 0.000 1.210 405 Y HN 0.134 nan 8.280 nan 0.000 0.483 406 W N 1.448 122.369 121.300 -0.632 0.000 2.584 406 W HA 0.144 4.821 4.660 0.028 0.000 0.264 406 W C 0.305 176.584 176.519 -0.399 0.000 1.264 406 W CA 0.098 57.169 57.345 -0.456 0.000 1.306 406 W CB -0.517 28.698 29.460 -0.408 0.000 1.110 406 W HN 0.466 nan 8.180 nan 0.000 0.606 407 Q N 1.355 120.787 119.800 -0.614 0.000 2.256 407 Q HA 0.543 4.898 4.340 0.025 0.000 0.232 407 Q C -0.461 175.522 176.000 -0.028 0.000 0.965 407 Q CA -0.349 55.338 55.803 -0.193 0.000 0.908 407 Q CB 1.342 29.952 28.738 -0.214 0.000 1.209 407 Q HN 0.154 nan 8.270 nan 0.000 0.489 408 A N 1.419 124.280 122.820 0.069 0.000 2.320 408 A HA 0.743 5.078 4.320 0.025 0.000 0.334 408 A C -0.572 177.112 177.584 0.167 0.000 1.147 408 A CA -0.208 51.910 52.037 0.135 0.000 0.820 408 A CB 1.920 20.988 19.000 0.114 0.000 1.218 408 A HN 0.683 nan 8.150 nan 0.000 0.482 409 T N 0.319 115.002 114.554 0.215 0.000 2.749 409 T HA 0.576 4.942 4.350 0.025 0.000 0.310 409 T C -2.326 172.615 174.700 0.403 0.000 1.496 409 T CA -0.363 61.891 62.100 0.256 0.000 1.006 409 T CB 1.068 70.079 68.868 0.238 0.000 1.457 409 T HN 1.056 nan 8.240 nan 0.000 0.497 410 W N 4.257 125.627 121.300 0.117 0.000 3.405 410 W HA 0.574 5.251 4.660 0.028 0.000 0.329 410 W C -2.308 174.216 176.519 0.009 0.000 1.142 410 W CA -1.052 56.351 57.345 0.096 0.000 1.235 410 W CB 1.093 30.574 29.460 0.034 0.000 1.341 410 W HN 0.622 nan 8.180 nan 0.000 0.481 411 I N 8.609 128.780 120.570 -0.665 0.000 2.339 411 I HA 0.242 4.427 4.170 0.025 0.000 0.290 411 I C -1.280 174.104 176.117 -1.221 0.000 0.994 411 I CA -2.016 58.728 61.300 -0.926 0.000 1.191 411 I CB 1.638 38.938 38.000 -1.166 0.000 1.343 411 I HN 0.148 nan 8.210 nan 0.000 0.458 412 P HA -0.058 nan 4.420 nan 0.000 0.287 412 P C -0.332 176.781 177.300 -0.310 0.000 1.282 412 P CA -0.189 62.592 63.100 -0.532 0.000 0.804 412 P CB 0.335 31.942 31.700 -0.155 0.000 1.323 413 E N 0.132 120.260 120.200 -0.120 0.000 2.585 413 E HA -0.006 4.359 4.350 0.025 0.000 0.252 413 E C -0.446 176.199 176.600 0.074 0.000 0.981 413 E CA 0.700 57.061 56.400 -0.065 0.000 0.943 413 E CB -0.057 29.616 29.700 -0.047 0.000 0.923 413 E HN 0.371 nan 8.360 nan 0.000 0.486 414 W N 2.877 124.049 121.300 -0.212 0.000 3.167 414 W HA 0.446 5.118 4.660 0.020 0.000 0.324 414 W C -1.400 175.038 176.519 -0.135 0.000 1.230 414 W CA -1.060 56.185 57.345 -0.167 0.000 1.184 414 W CB 0.628 29.914 29.460 -0.289 0.000 1.414 414 W HN 0.476 nan 8.180 nan 0.000 0.551 415 E N 2.406 122.688 120.200 0.136 0.000 2.263 415 E HA 0.399 4.764 4.350 0.025 0.000 0.268 415 E C -1.537 175.202 176.600 0.231 0.000 0.884 415 E CA -0.881 55.502 56.400 -0.029 0.000 0.766 415 E CB 2.238 31.909 29.700 -0.048 0.000 1.196 415 E HN 0.236 nan 8.360 nan 0.000 0.416 416 F N 3.990 123.985 119.950 0.075 0.000 2.623 416 F HA 0.131 4.662 4.527 0.007 0.000 0.383 416 F C -0.689 175.182 175.800 0.118 0.000 1.077 416 F CA 0.039 58.161 58.000 0.202 0.000 1.268 416 F CB 0.963 40.041 39.000 0.131 0.000 1.053 416 F HN 0.360 nan 8.300 nan 0.000 0.571 417 V N 8.131 127.662 119.914 -0.638 0.000 2.407 417 V HA 0.286 4.421 4.120 0.025 0.000 0.291 417 V C -0.358 175.137 176.094 -0.997 0.000 1.018 417 V CA -0.901 61.017 62.300 -0.637 0.000 0.842 417 V CB 1.089 32.792 31.823 -0.199 0.000 0.996 417 V HN 0.853 nan 8.190 nan 0.000 0.426 418 N N 4.808 122.915 118.700 -0.988 0.000 2.605 418 N HA 0.123 4.878 4.740 0.025 0.000 0.282 418 N C -0.454 174.945 175.510 -0.184 0.000 1.206 418 N CA 0.257 52.992 53.050 -0.524 0.000 1.074 418 N CB 0.211 38.588 38.487 -0.184 0.000 1.434 418 N HN 0.804 nan 8.380 nan 0.000 0.506 419 T N 3.763 118.251 114.554 -0.111 0.000 3.209 419 T HA 0.274 4.639 4.350 0.025 0.000 0.366 419 T C -2.527 172.190 174.700 0.029 0.000 1.293 419 T CA -0.975 61.111 62.100 -0.022 0.000 1.417 419 T CB 1.479 70.340 68.868 -0.012 0.000 1.013 419 T HN 0.290 nan 8.240 nan 0.000 0.572 420 P HA 0.109 nan 4.420 nan 0.000 0.267 420 P C -2.176 175.145 177.300 0.035 0.000 1.195 420 P CA -0.827 62.303 63.100 0.050 0.000 0.773 420 P CB -0.175 31.550 31.700 0.042 0.000 0.837 421 P HA 0.169 nan 4.420 nan 0.000 0.275 421 P C -0.765 176.574 177.300 0.065 0.000 1.227 421 P CA 0.049 63.170 63.100 0.036 0.000 0.781 421 P CB 0.734 32.444 31.700 0.017 0.000 0.906 422 L N 2.401 123.668 121.223 0.074 0.000 2.350 422 L HA 0.314 4.669 4.340 0.025 0.000 0.275 422 L C 0.802 177.710 176.870 0.065 0.000 1.099 422 L CA -1.253 53.660 54.840 0.122 0.000 0.808 422 L CB 1.381 43.532 42.059 0.155 0.000 1.149 422 L HN 0.245 nan 8.230 nan 0.000 0.442 423 V N 1.013 120.991 119.914 0.106 0.000 2.583 423 V HA 0.559 4.694 4.120 0.025 0.000 0.287 423 V C -0.195 175.886 176.094 -0.021 0.000 1.051 423 V CA -0.486 61.860 62.300 0.077 0.000 1.010 423 V CB 0.832 32.754 31.823 0.164 0.000 0.988 423 V HN 0.960 nan 8.190 nan 0.000 0.478 424 K N 3.935 124.263 120.400 -0.120 0.000 2.533 424 K HA 0.740 5.075 4.320 0.025 0.000 0.284 424 K C -1.594 174.860 176.600 -0.244 0.000 1.025 424 K CA -1.172 54.994 56.287 -0.202 0.000 0.900 424 K CB 1.930 34.243 32.500 -0.312 0.000 1.519 424 K HN 0.549 nan 8.250 nan 0.000 0.432 425 L N 1.485 122.586 121.223 -0.205 0.000 2.289 425 L HA 0.334 4.689 4.340 0.025 0.000 0.285 425 L C 0.002 176.790 176.870 -0.136 0.000 1.049 425 L CA -0.673 54.088 54.840 -0.133 0.000 0.804 425 L CB 0.666 42.668 42.059 -0.094 0.000 1.195 425 L HN 0.702 nan 8.230 nan 0.000 0.428 426 W N 2.218 123.494 121.300 -0.040 0.000 2.658 426 W HA 0.027 4.702 4.660 0.025 0.000 0.263 426 W C 0.055 176.693 176.519 0.198 0.000 1.274 426 W CA 0.020 57.420 57.345 0.092 0.000 1.343 426 W CB 0.007 29.569 29.460 0.170 0.000 1.106 426 W HN 0.468 nan 8.180 nan 0.000 0.615 427 Y N -2.311 118.115 120.300 0.209 0.000 2.656 427 Y HA 0.571 5.134 4.550 0.022 0.000 0.334 427 Y C -1.192 174.772 175.900 0.107 0.000 1.179 427 Y CA -2.328 55.852 58.100 0.133 0.000 1.050 427 Y CB 0.417 38.950 38.460 0.122 0.000 1.308 427 Y HN -0.159 nan 8.280 nan 0.000 0.456 428 Q N 3.060 122.960 119.800 0.168 0.000 2.275 428 Q HA 0.487 4.842 4.340 0.025 0.000 0.266 428 Q C -1.373 174.727 176.000 0.167 0.000 1.002 428 Q CA -0.852 54.994 55.803 0.073 0.000 0.761 428 Q CB 3.083 31.847 28.738 0.043 0.000 1.255 428 Q HN 0.741 nan 8.270 nan 0.000 0.446 429 L N 2.102 123.427 121.223 0.171 0.000 2.485 429 L HA 0.059 4.414 4.340 0.025 0.000 0.275 429 L C 0.934 177.887 176.870 0.137 0.000 1.207 429 L CA -0.064 54.871 54.840 0.159 0.000 0.855 429 L CB 0.076 42.203 42.059 0.113 0.000 1.114 429 L HN 0.420 nan 8.230 nan 0.000 0.485 430 E N 2.610 122.917 120.200 0.179 0.000 2.438 430 E HA -0.033 4.332 4.350 0.025 0.000 0.261 430 E C 0.507 177.258 176.600 0.251 0.000 1.103 430 E CA 0.029 56.555 56.400 0.209 0.000 0.959 430 E CB 0.662 30.519 29.700 0.262 0.000 0.958 430 E HN 0.366 nan 8.360 nan 0.000 0.447 431 K N 1.108 121.619 120.400 0.184 0.000 2.400 431 K HA 0.062 4.397 4.320 0.025 0.000 0.194 431 K C 0.009 176.756 176.600 0.246 0.000 1.033 431 K CA 0.603 56.996 56.287 0.177 0.000 1.021 431 K CB 0.395 32.946 32.500 0.084 0.000 0.808 431 K HN 0.493 nan 8.250 nan 0.000 0.505 432 E N 0.453 120.748 120.200 0.158 0.000 2.390 432 E HA 0.261 4.626 4.350 0.025 0.000 0.277 432 E C -2.815 173.372 176.600 -0.688 0.000 0.939 432 E CA -2.344 53.951 56.400 -0.174 0.000 0.769 432 E CB 1.891 31.521 29.700 -0.117 0.000 1.251 432 E HN -0.179 nan 8.360 nan 0.000 0.450 433 P HA 0.000 nan 4.420 nan 0.000 0.266 433 P C -0.422 176.642 177.300 -0.393 0.000 1.193 433 P CA 0.409 62.846 63.100 -1.106 0.000 0.770 433 P CB 0.597 31.854 31.700 -0.739 0.000 0.836 434 I N 2.055 122.511 120.570 -0.190 0.000 2.342 434 I HA 0.137 4.322 4.170 0.025 0.000 0.291 434 I C 0.514 176.601 176.117 -0.050 0.000 1.010 434 I CA -1.103 60.153 61.300 -0.073 0.000 1.308 434 I CB 1.159 39.158 38.000 -0.002 0.000 1.400 434 I HN 0.031 nan 8.210 nan 0.000 0.488 435 V N 6.253 126.142 119.914 -0.042 0.000 2.521 435 V HA 0.251 4.386 4.120 0.025 0.000 0.286 435 V C 1.282 177.372 176.094 -0.007 0.000 1.034 435 V CA 0.847 63.132 62.300 -0.025 0.000 1.045 435 V CB 0.238 32.047 31.823 -0.023 0.000 0.974 435 V HN 1.177 nan 8.190 nan 0.000 0.480 436 G N 3.745 112.545 108.800 -0.000 0.000 2.179 436 G HA2 -0.135 3.840 3.960 0.025 0.000 0.260 436 G HA3 -0.135 3.840 3.960 0.025 0.000 0.260 436 G C 0.368 175.279 174.900 0.019 0.000 0.977 436 G CA 0.139 45.244 45.100 0.008 0.000 0.641 436 G HN 1.501 nan 8.290 nan 0.000 0.533 437 A N 0.186 123.020 122.820 0.023 0.000 2.331 437 A HA 0.679 5.015 4.320 0.025 0.000 0.283 437 A C 0.450 178.070 177.584 0.060 0.000 1.142 437 A CA 0.422 52.486 52.037 0.043 0.000 0.812 437 A CB 0.556 19.583 19.000 0.044 0.000 1.074 437 A HN 0.632 nan 8.150 nan 0.000 0.497 438 E N 1.166 121.419 120.200 0.089 0.000 2.437 438 E HA 0.154 4.519 4.350 0.025 0.000 0.263 438 E C -0.627 176.055 176.600 0.136 0.000 1.030 438 E CA 0.398 56.850 56.400 0.087 0.000 0.934 438 E CB 0.423 30.182 29.700 0.098 0.000 0.943 438 E HN 0.544 nan 8.360 nan 0.000 0.444 439 T N 4.577 119.162 114.554 0.051 0.000 2.772 439 T HA 0.347 4.712 4.350 0.025 0.000 0.288 439 T C -1.030 173.650 174.700 -0.033 0.000 0.994 439 T CA -0.405 61.716 62.100 0.035 0.000 0.951 439 T CB 0.057 68.918 68.868 -0.012 0.000 0.933 439 T HN 0.222 nan 8.240 nan 0.000 0.447 440 F N 2.597 122.416 119.950 -0.218 0.000 2.420 440 F HA 0.468 5.011 4.527 0.027 0.000 0.342 440 F C -0.249 175.385 175.800 -0.277 0.000 1.113 440 F CA -1.271 56.630 58.000 -0.165 0.000 1.059 440 F CB 0.930 39.795 39.000 -0.225 0.000 1.128 440 F HN 0.504 nan 8.300 nan 0.000 0.475 441 Y N 2.926 123.354 120.300 0.213 0.000 2.417 441 Y HA 0.489 5.055 4.550 0.026 0.000 0.336 441 Y C -0.022 175.997 175.900 0.199 0.000 0.961 441 Y CA -1.180 57.012 58.100 0.154 0.000 1.215 441 Y CB 1.249 39.760 38.460 0.086 0.000 1.120 441 Y HN 0.400 nan 8.280 nan 0.000 0.499 442 V N 0.730 120.796 119.914 0.252 0.000 2.532 442 V HA 0.692 4.827 4.120 0.025 0.000 0.295 442 V C -0.586 175.612 176.094 0.173 0.000 1.041 442 V CA -0.321 62.123 62.300 0.239 0.000 0.926 442 V CB 1.887 33.825 31.823 0.192 0.000 0.992 442 V HN 0.680 nan 8.190 nan 0.000 0.457 456 G N 0.568 109.404 108.800 0.061 0.000 2.489 456 G HA2 0.837 4.812 3.960 0.025 0.000 0.305 456 G HA3 0.837 4.812 3.960 0.025 0.000 0.305 456 G C -1.308 173.663 174.900 0.117 0.000 1.311 456 G CA 0.327 45.430 45.100 0.004 0.000 0.813 456 G HN 2.070 nan 8.290 nan 0.000 0.480 457 Y N -2.583 117.783 120.300 0.111 0.000 2.655 457 Y HA 0.845 5.410 4.550 0.026 0.000 0.336 457 Y C -1.167 174.799 175.900 0.110 0.000 1.154 457 Y CA -1.780 56.413 58.100 0.154 0.000 1.055 457 Y CB 1.428 40.044 38.460 0.261 0.000 1.295 457 Y HN 0.692 nan 8.280 nan 0.000 0.465 458 V N 1.477 121.655 119.914 0.440 0.000 2.851 458 V HA 0.666 4.801 4.120 0.025 0.000 0.307 458 V C -0.334 175.898 176.094 0.231 0.000 1.129 458 V CA -0.148 62.303 62.300 0.252 0.000 0.932 458 V CB 1.774 33.676 31.823 0.131 0.000 1.024 458 V HN 1.184 nan 8.190 nan 0.000 0.426 459 T N -0.431 114.140 114.554 0.028 0.000 2.938 459 T HA 0.345 4.710 4.350 0.025 0.000 0.285 459 T C 0.992 175.691 174.700 -0.002 0.000 1.028 459 T CA -0.270 61.754 62.100 -0.127 0.000 1.005 459 T CB 1.503 70.028 68.868 -0.572 0.000 1.157 459 T HN 0.660 nan 8.240 nan 0.000 0.550 460 N N 0.718 119.428 118.700 0.017 0.000 2.331 460 N HA -0.112 4.643 4.740 0.025 0.000 0.180 460 N C 1.342 176.842 175.510 -0.016 0.000 1.019 460 N CA 0.510 53.582 53.050 0.037 0.000 0.881 460 N CB -0.320 38.206 38.487 0.066 0.000 0.972 460 N HN 0.608 nan 8.380 nan 0.000 0.435 461 R N 0.037 120.503 120.500 -0.058 0.000 2.328 461 R HA 0.113 4.468 4.340 0.025 0.000 0.200 461 R C 0.962 177.234 176.300 -0.047 0.000 0.983 461 R CA 0.484 56.552 56.100 -0.053 0.000 1.062 461 R CB -0.123 30.135 30.300 -0.069 0.000 0.956 461 R HN 0.487 nan 8.270 nan 0.000 0.479 462 G N 1.967 110.740 108.800 -0.044 0.000 2.253 462 G HA2 -0.387 3.588 3.960 0.025 0.000 0.251 462 G HA3 -0.387 3.588 3.960 0.025 0.000 0.251 462 G C 0.318 175.204 174.900 -0.023 0.000 0.998 462 G CA 0.317 45.400 45.100 -0.029 0.000 0.621 462 G HN 0.510 nan 8.290 nan 0.000 0.524 463 R N 0.917 121.399 120.500 -0.030 0.000 2.694 463 R HA 0.538 4.893 4.340 0.025 0.000 0.268 463 R C 0.105 176.449 176.300 0.073 0.000 1.061 463 R CA 0.618 56.729 56.100 0.019 0.000 1.133 463 R CB 0.269 30.591 30.300 0.036 0.000 1.020 463 R HN 0.658 nan 8.270 nan 0.000 0.475 464 Q N 0.944 120.761 119.800 0.028 0.000 2.522 464 Q HA 0.406 4.762 4.340 0.025 0.000 0.285 464 Q C -1.825 173.939 176.000 -0.393 0.000 0.982 464 Q CA -1.311 54.377 55.803 -0.192 0.000 0.805 464 Q CB 2.098 30.759 28.738 -0.128 0.000 1.457 464 Q HN 0.697 nan 8.270 nan 0.000 0.394 465 K N 0.893 120.820 120.400 -0.788 0.000 2.542 465 K HA 0.658 4.993 4.320 0.025 0.000 0.259 465 K C -2.037 174.332 176.600 -0.384 0.000 0.932 465 K CA -0.660 55.314 56.287 -0.521 0.000 0.820 465 K CB 2.657 34.861 32.500 -0.494 0.000 1.345 465 K HN 0.507 nan 8.250 nan 0.000 0.432 466 V N 3.930 123.733 119.914 -0.185 0.000 2.686 466 V HA 0.532 4.667 4.120 0.025 0.000 0.306 466 V C -0.770 175.292 176.094 -0.054 0.000 1.065 466 V CA -0.758 61.479 62.300 -0.105 0.000 0.894 466 V CB 1.722 33.500 31.823 -0.076 0.000 1.004 466 V HN 0.618 nan 8.190 nan 0.000 0.424 467 V N 1.349 121.250 119.914 -0.022 0.000 2.962 467 V HA 0.819 4.954 4.120 0.025 0.000 0.313 467 V C -0.272 175.830 176.094 0.012 0.000 1.099 467 V CA -0.420 61.881 62.300 0.002 0.000 0.971 467 V CB 2.188 34.023 31.823 0.022 0.000 1.028 467 V HN 0.731 nan 8.190 nan 0.000 0.430 468 T N 4.402 118.964 114.554 0.014 0.000 2.902 468 T HA 0.751 5.116 4.350 0.025 0.000 0.283 468 T C -0.496 174.219 174.700 0.025 0.000 1.009 468 T CA -0.329 61.781 62.100 0.017 0.000 1.051 468 T CB 1.149 70.024 68.868 0.011 0.000 0.999 468 T HN 0.671 nan 8.240 nan 0.000 0.474 469 L N 2.874 124.113 121.223 0.026 0.000 2.409 469 L HA 0.499 4.854 4.340 0.025 0.000 0.272 469 L C 0.080 176.964 176.870 0.024 0.000 0.980 469 L CA -0.903 53.955 54.840 0.030 0.000 0.826 469 L CB 2.240 44.323 42.059 0.039 0.000 1.268 469 L HN 0.749 nan 8.230 nan 0.000 0.407 470 T N -2.010 112.557 114.554 0.022 0.000 2.824 470 T HA 0.490 4.855 4.350 0.025 0.000 0.280 470 T C -0.793 173.918 174.700 0.019 0.000 0.995 470 T CA -0.713 61.398 62.100 0.018 0.000 1.009 470 T CB 1.574 70.452 68.868 0.015 0.000 0.955 470 T HN 0.544 nan 8.240 nan 0.000 0.452 471 D N 0.275 120.685 120.400 0.016 0.000 3.830 471 D HA -0.093 4.562 4.640 0.025 0.000 0.247 471 D C -0.097 176.214 176.300 0.019 0.000 1.073 471 D CA 1.371 55.380 54.000 0.015 0.000 1.116 471 D CB -1.104 39.705 40.800 0.014 0.000 0.909 471 D HN 0.907 nan 8.370 nan 0.000 0.418 472 T N -0.892 113.673 114.554 0.018 0.000 2.645 472 T HA 0.790 5.155 4.350 0.025 0.000 0.300 472 T C -1.398 173.311 174.700 0.016 0.000 1.210 472 T CA 0.184 62.297 62.100 0.022 0.000 1.034 472 T CB 2.316 71.201 68.868 0.029 0.000 1.537 472 T HN 0.263 nan 8.240 nan 0.000 0.492 473 T N 1.036 115.599 114.554 0.016 0.000 3.071 473 T HA 0.361 4.726 4.350 0.025 0.000 0.311 473 T C 0.866 175.565 174.700 -0.001 0.000 1.042 473 T CA -0.505 61.595 62.100 0.001 0.000 1.028 473 T CB 1.058 69.921 68.868 -0.010 0.000 1.068 473 T HN 0.578 nan 8.240 nan 0.000 0.451 474 N N 3.148 121.843 118.700 -0.008 0.000 2.217 474 N HA -0.305 4.450 4.740 0.025 0.000 0.195 474 N C 1.904 177.415 175.510 0.002 0.000 0.950 474 N CA 2.733 55.782 53.050 -0.003 0.000 0.910 474 N CB -0.350 38.127 38.487 -0.016 0.000 1.073 474 N HN 0.937 nan 8.380 nan 0.000 0.663 475 Q N -0.001 119.761 119.800 -0.064 0.000 2.224 475 Q HA -0.038 4.317 4.340 0.025 0.000 0.203 475 Q C 1.782 177.852 176.000 0.116 0.000 0.970 475 Q CA 1.081 56.834 55.803 -0.084 0.000 0.865 475 Q CB -0.110 28.267 28.738 -0.602 0.000 0.922 475 Q HN 0.202 nan 8.270 nan 0.000 0.445 476 K N 1.227 121.673 120.400 0.077 0.000 2.217 476 K HA -0.048 4.287 4.320 0.025 0.000 0.202 476 K C 1.650 178.313 176.600 0.105 0.000 1.051 476 K CA 1.397 57.751 56.287 0.112 0.000 0.952 476 K CB -0.132 32.410 32.500 0.069 0.000 0.736 476 K HN 0.231 nan 8.250 nan 0.000 0.453 477 T N 1.556 116.162 114.554 0.087 0.000 2.777 477 T HA -0.090 4.275 4.350 0.025 0.000 0.266 477 T C 1.505 176.272 174.700 0.112 0.000 1.040 477 T CA 1.405 63.557 62.100 0.087 0.000 1.141 477 T CB -0.043 68.866 68.868 0.069 0.000 0.868 477 T HN 0.425 nan 8.240 nan 0.000 0.444 478 E N 0.725 121.005 120.200 0.133 0.000 2.038 478 E HA -0.121 4.244 4.350 0.025 0.000 0.195 478 E C 2.136 178.824 176.600 0.146 0.000 1.000 478 E CA 1.012 57.507 56.400 0.158 0.000 0.803 478 E CB -0.308 29.525 29.700 0.221 0.000 0.750 478 E HN 0.263 nan 8.360 nan 0.000 0.448 479 L N 1.213 122.526 121.223 0.150 0.000 2.083 479 L HA -0.228 4.127 4.340 0.025 0.000 0.209 479 L C 2.472 179.409 176.870 0.112 0.000 1.083 479 L CA 1.453 56.349 54.840 0.093 0.000 0.752 479 L CB -0.462 41.635 42.059 0.063 0.000 0.899 479 L HN 0.097 nan 8.230 nan 0.000 0.433 480 Q N -0.560 119.317 119.800 0.127 0.000 2.077 480 Q HA -0.264 4.091 4.340 0.025 0.000 0.206 480 Q C 2.329 178.446 176.000 0.196 0.000 0.989 480 Q CA 1.908 57.815 55.803 0.173 0.000 0.853 480 Q CB -0.614 28.207 28.738 0.138 0.000 0.907 480 Q HN 0.589 nan 8.270 nan 0.000 0.418 481 A N 1.318 124.232 122.820 0.157 0.000 1.837 481 A HA -0.237 4.098 4.320 0.025 0.000 0.216 481 A C 2.185 179.852 177.584 0.138 0.000 1.210 481 A CA 1.811 53.946 52.037 0.163 0.000 0.632 481 A CB -1.152 17.938 19.000 0.151 0.000 0.843 481 A HN 0.351 nan 8.150 nan 0.000 0.448 482 I N -1.806 118.823 120.570 0.099 0.000 2.161 482 I HA -0.394 3.791 4.170 0.025 0.000 0.246 482 I C 2.469 178.610 176.117 0.040 0.000 1.048 482 I CA 2.468 63.789 61.300 0.035 0.000 1.314 482 I CB -0.596 37.422 38.000 0.030 0.000 1.014 482 I HN 0.594 nan 8.210 nan 0.000 0.418 483 Y N 1.438 121.713 120.300 -0.041 0.000 2.030 483 Y HA -0.300 4.265 4.550 0.024 0.000 0.274 483 Y C 2.408 178.274 175.900 -0.058 0.000 1.153 483 Y CA 1.672 59.739 58.100 -0.054 0.000 1.115 483 Y CB -0.853 37.594 38.460 -0.020 0.000 0.969 483 Y HN 0.026 nan 8.280 nan 0.000 0.488 484 L N -0.403 120.754 121.223 -0.110 0.000 1.997 484 L HA -0.378 3.978 4.340 0.025 0.000 0.216 484 L C 2.761 179.486 176.870 -0.240 0.000 1.074 484 L CA 1.641 56.399 54.840 -0.136 0.000 0.763 484 L CB -1.193 40.973 42.059 0.179 0.000 0.890 484 L HN 0.389 nan 8.230 nan 0.000 0.434 485 A N 0.021 122.660 122.820 -0.303 0.000 1.884 485 A HA -0.266 4.069 4.320 0.025 0.000 0.219 485 A C 2.218 179.289 177.584 -0.854 0.000 1.197 485 A CA 2.109 53.661 52.037 -0.808 0.000 0.637 485 A CB -0.977 17.643 19.000 -0.633 0.000 0.827 485 A HN 0.407 nan 8.150 nan 0.000 0.450 486 L N -1.135 119.788 121.223 -0.499 0.000 2.042 486 L HA -0.300 4.055 4.340 0.025 0.000 0.210 486 L C 2.986 179.654 176.870 -0.336 0.000 1.076 486 L CA 1.902 56.518 54.840 -0.373 0.000 0.749 486 L CB -0.624 41.317 42.059 -0.198 0.000 0.893 486 L HN 0.538 nan 8.230 nan 0.000 0.432 487 Q N -0.103 119.476 119.800 -0.369 0.000 1.975 487 Q HA -0.232 4.123 4.340 0.025 0.000 0.205 487 Q C 1.708 177.593 176.000 -0.192 0.000 0.990 487 Q CA 1.978 57.602 55.803 -0.299 0.000 0.845 487 Q CB -0.100 28.396 28.738 -0.404 0.000 0.913 487 Q HN 0.486 nan 8.270 nan 0.000 0.420 488 D N 0.326 120.622 120.400 -0.172 0.000 2.348 488 D HA -0.040 4.615 4.640 0.025 0.000 0.216 488 D C 0.646 176.955 176.300 0.014 0.000 0.970 488 D CA 0.448 54.432 54.000 -0.027 0.000 0.889 488 D CB -0.104 40.769 40.800 0.122 0.000 0.912 488 D HN 0.159 nan 8.370 nan 0.000 0.524 489 S N -0.488 115.105 115.700 -0.177 0.000 2.645 489 S HA 0.571 5.056 4.470 0.025 0.000 0.266 489 S C 0.885 175.464 174.600 -0.035 0.000 1.258 489 S CA -0.583 57.572 58.200 -0.074 0.000 0.990 489 S CB 1.658 64.578 63.200 -0.466 0.000 0.967 489 S HN 0.104 nan 8.310 nan 0.000 0.556 490 G N -0.459 108.356 108.800 0.025 0.000 2.508 490 G HA2 0.388 4.363 3.960 0.025 0.000 0.278 490 G HA3 0.388 4.363 3.960 0.025 0.000 0.278 490 G C 0.703 175.597 174.900 -0.009 0.000 1.389 490 G CA -0.925 44.183 45.100 0.014 0.000 1.050 490 G HN 0.715 nan 8.290 nan 0.000 0.522 491 L N -0.575 120.650 121.223 0.003 0.000 2.265 491 L HA 0.065 4.420 4.340 0.025 0.000 0.215 491 L C 0.897 177.770 176.870 0.005 0.000 1.117 491 L CA 1.126 55.967 54.840 0.001 0.000 0.782 491 L CB -0.339 41.727 42.059 0.011 0.000 0.914 491 L HN 0.458 nan 8.230 nan 0.000 0.441 492 E N -0.896 119.312 120.200 0.013 0.000 2.288 492 E HA 0.611 4.976 4.350 0.025 0.000 0.268 492 E C -1.256 175.358 176.600 0.024 0.000 0.885 492 E CA -0.440 55.973 56.400 0.022 0.000 0.767 492 E CB 3.393 33.112 29.700 0.031 0.000 1.220 492 E HN -0.190 nan 8.360 nan 0.000 0.427 493 V N 2.119 122.048 119.914 0.025 0.000 3.036 493 V HA 0.298 4.433 4.120 0.025 0.000 0.288 493 V C -1.971 174.154 176.094 0.052 0.000 1.407 493 V CA -0.731 61.586 62.300 0.028 0.000 0.983 493 V CB 2.238 34.000 31.823 -0.101 0.000 1.128 493 V HN 0.687 nan 8.190 nan 0.000 0.439 494 N N 5.261 124.021 118.700 0.099 0.000 2.405 494 N HA 0.715 5.470 4.740 0.025 0.000 0.299 494 N C -1.117 174.431 175.510 0.063 0.000 1.075 494 N CA -0.267 52.861 53.050 0.130 0.000 0.884 494 N CB 2.292 40.859 38.487 0.133 0.000 1.194 494 N HN 0.668 nan 8.380 nan 0.000 0.491 495 I N 1.213 121.797 120.570 0.022 0.000 2.533 495 I HA 0.314 4.499 4.170 0.025 0.000 0.290 495 I C -0.688 175.387 176.117 -0.070 0.000 1.056 495 I CA -0.957 60.312 61.300 -0.052 0.000 1.057 495 I CB 2.342 40.283 38.000 -0.098 0.000 1.240 495 I HN -0.033 nan 8.210 nan 0.000 0.423 496 V N 4.242 124.073 119.914 -0.139 0.000 2.417 496 V HA 0.522 4.657 4.120 0.025 0.000 0.291 496 V C -0.014 176.067 176.094 -0.022 0.000 1.024 496 V CA -0.349 61.882 62.300 -0.115 0.000 0.861 496 V CB 1.799 33.453 31.823 -0.281 0.000 0.985 496 V HN 0.824 nan 8.190 nan 0.000 0.436 497 T N 1.348 115.916 114.554 0.023 0.000 2.916 497 T HA 0.422 4.787 4.350 0.025 0.000 0.292 497 T C 0.442 175.158 174.700 0.027 0.000 1.055 497 T CA -0.151 61.990 62.100 0.067 0.000 1.009 497 T CB 1.859 70.794 68.868 0.111 0.000 1.118 497 T HN 0.870 nan 8.240 nan 0.000 0.497 498 D N 1.060 121.486 120.400 0.043 0.000 2.355 498 D HA 0.136 4.792 4.640 0.025 0.000 0.206 498 D C 0.892 177.369 176.300 0.295 0.000 1.010 498 D CA 0.056 54.027 54.000 -0.048 0.000 0.875 498 D CB -0.057 40.735 40.800 -0.013 0.000 0.966 498 D HN 0.350 nan 8.370 nan 0.000 0.512 499 S N 0.316 116.205 115.700 0.316 0.000 2.481 499 S HA 0.005 4.491 4.470 0.025 0.000 0.282 499 S C 1.188 176.017 174.600 0.383 0.000 1.243 499 S CA -0.414 57.991 58.200 0.342 0.000 1.078 499 S CB 0.602 63.957 63.200 0.259 0.000 0.916 499 S HN 0.361 nan 8.310 nan 0.000 0.495 500 Q N 4.714 124.679 119.800 0.275 0.000 2.245 500 Q HA -0.108 4.247 4.340 0.025 0.000 0.201 500 Q C 1.523 177.522 176.000 -0.003 0.000 0.955 500 Q CA 1.011 56.763 55.803 -0.085 0.000 0.870 500 Q CB -0.477 28.080 28.738 -0.302 0.000 0.945 500 Q HN 0.903 nan 8.270 nan 0.000 0.461 501 Y N 2.043 122.342 120.300 -0.001 0.000 2.089 501 Y HA -0.143 4.422 4.550 0.026 0.000 0.282 501 Y C 2.514 178.428 175.900 0.024 0.000 1.139 501 Y CA 1.620 59.727 58.100 0.011 0.000 1.123 501 Y CB -0.743 37.739 38.460 0.036 0.000 0.980 501 Y HN 0.135 nan 8.280 nan 0.000 0.493 502 A N 1.417 124.155 122.820 -0.136 0.000 1.883 502 A HA -0.189 4.146 4.320 0.025 0.000 0.217 502 A C 2.368 179.862 177.584 -0.150 0.000 1.186 502 A CA 1.770 53.674 52.037 -0.222 0.000 0.624 502 A CB -1.300 17.702 19.000 0.003 0.000 0.822 502 A HN 0.604 nan 8.150 nan 0.000 0.444 503 L N -0.216 120.981 121.223 -0.042 0.000 1.990 503 L HA -0.194 4.161 4.340 0.025 0.000 0.213 503 L C 2.548 179.382 176.870 -0.060 0.000 1.072 503 L CA 2.606 57.427 54.840 -0.030 0.000 0.755 503 L CB -1.726 40.322 42.059 -0.018 0.000 0.889 503 L HN 0.441 nan 8.230 nan 0.000 0.432 504 G N 0.113 108.852 108.800 -0.102 0.000 2.529 504 G HA2 -0.324 3.651 3.960 0.025 0.000 0.219 504 G HA3 -0.324 3.651 3.960 0.025 0.000 0.219 504 G C 1.667 176.595 174.900 0.047 0.000 1.177 504 G CA 1.282 46.345 45.100 -0.062 0.000 0.773 504 G HN 0.462 nan 8.290 nan 0.000 0.573 505 I N 0.450 120.961 120.570 -0.099 0.000 2.179 505 I HA -0.149 4.036 4.170 0.025 0.000 0.242 505 I C 2.663 178.770 176.117 -0.017 0.000 1.088 505 I CA 1.000 62.233 61.300 -0.111 0.000 1.357 505 I CB -0.186 37.566 38.000 -0.414 0.000 1.051 505 I HN 0.153 nan 8.210 nan 0.000 0.409 506 I N -0.202 120.351 120.570 -0.029 0.000 2.439 506 I HA -0.224 3.961 4.170 0.025 0.000 0.251 506 I C 2.550 178.754 176.117 0.146 0.000 1.139 506 I CA 0.813 62.147 61.300 0.056 0.000 1.438 506 I CB -0.377 37.630 38.000 0.011 0.000 1.085 506 I HN 0.289 nan 8.210 nan 0.000 0.427 507 Q N 0.751 120.638 119.800 0.144 0.000 2.124 507 Q HA -0.145 4.210 4.340 0.025 0.000 0.202 507 Q C 2.295 178.462 176.000 0.279 0.000 0.977 507 Q CA 1.699 57.624 55.803 0.204 0.000 0.850 507 Q CB -0.240 28.631 28.738 0.222 0.000 0.901 507 Q HN 0.557 nan 8.270 nan 0.000 0.429 508 A N 0.615 123.643 122.820 0.348 0.000 2.239 508 A HA -0.094 4.242 4.320 0.025 0.000 0.209 508 A C 0.420 178.176 177.584 0.288 0.000 1.171 508 A CA 0.171 52.407 52.037 0.331 0.000 0.768 508 A CB -0.281 18.969 19.000 0.415 0.000 0.790 508 A HN 0.447 nan 8.150 nan 0.000 0.478 509 Q N -1.025 118.905 119.800 0.217 0.000 2.423 509 Q HA -0.147 4.208 4.340 0.025 0.000 0.332 509 Q C -2.162 173.876 176.000 0.063 0.000 1.355 509 Q CA 0.454 56.317 55.803 0.101 0.000 0.947 509 Q CB -1.691 27.003 28.738 -0.073 0.000 1.189 509 Q HN 0.635 nan 8.270 nan 0.000 0.418 510 P HA -0.057 nan 4.420 nan 0.000 0.269 510 P C -0.055 177.337 177.300 0.153 0.000 1.209 510 P CA 0.578 63.743 63.100 0.109 0.000 0.776 510 P CB 0.744 32.517 31.700 0.122 0.000 0.876 511 D N 0.298 120.740 120.400 0.069 0.000 2.469 511 D HA 0.033 4.688 4.640 0.025 0.000 0.213 511 D C 0.276 176.545 176.300 -0.053 0.000 1.135 511 D CA 0.214 54.232 54.000 0.030 0.000 0.834 511 D CB 0.209 41.035 40.800 0.044 0.000 1.009 511 D HN 0.538 nan 8.370 nan 0.000 0.507 512 Q N -0.918 118.884 119.800 0.004 0.000 2.309 512 Q HA 0.604 4.959 4.340 0.025 0.000 0.273 512 Q C -1.599 174.437 176.000 0.061 0.000 1.040 512 Q CA -0.892 54.911 55.803 -0.000 0.000 0.834 512 Q CB 2.125 30.863 28.738 0.000 0.000 1.345 512 Q HN -0.050 nan 8.270 nan 0.000 0.414 513 S N 0.641 116.376 115.700 0.058 0.000 2.588 513 S HA 0.307 4.792 4.470 0.025 0.000 0.275 513 S C 0.010 174.650 174.600 0.068 0.000 1.130 513 S CA -0.463 57.814 58.200 0.129 0.000 0.855 513 S CB 1.924 65.256 63.200 0.219 0.000 1.116 513 S HN 0.688 nan 8.310 nan 0.000 0.472 514 E N 1.198 121.436 120.200 0.063 0.000 2.112 514 E HA 0.014 4.379 4.350 0.025 0.000 0.190 514 E C 0.961 177.585 176.600 0.040 0.000 0.979 514 E CA 0.721 57.135 56.400 0.025 0.000 0.814 514 E CB -0.266 29.429 29.700 -0.009 0.000 0.762 514 E HN 0.618 nan 8.360 nan 0.000 0.460 515 S N 0.833 116.582 115.700 0.083 0.000 2.586 515 S HA 0.099 4.585 4.470 0.025 0.000 0.274 515 S C 1.027 175.633 174.600 0.010 0.000 1.281 515 S CA -0.533 57.701 58.200 0.058 0.000 1.035 515 S CB 1.627 64.887 63.200 0.100 0.000 0.962 515 S HN 0.098 nan 8.310 nan 0.000 0.512 516 E N 2.933 123.120 120.200 -0.022 0.000 2.112 516 E HA -0.054 4.311 4.350 0.025 0.000 0.190 516 E C 1.873 178.401 176.600 -0.120 0.000 0.979 516 E CA 0.370 56.733 56.400 -0.062 0.000 0.814 516 E CB -0.382 29.284 29.700 -0.057 0.000 0.762 516 E HN 0.630 nan 8.360 nan 0.000 0.460 517 L N 1.340 122.491 121.223 -0.119 0.000 1.989 517 L HA -0.208 4.147 4.340 0.025 0.000 0.211 517 L C 2.521 179.258 176.870 -0.222 0.000 1.071 517 L CA 1.237 55.952 54.840 -0.208 0.000 0.749 517 L CB -0.206 41.782 42.059 -0.117 0.000 0.890 517 L HN 0.087 nan 8.230 nan 0.000 0.431 518 V N -0.080 119.761 119.914 -0.121 0.000 2.332 518 V HA -0.315 3.820 4.120 0.025 0.000 0.248 518 V C 2.189 178.204 176.094 -0.133 0.000 1.055 518 V CA 1.931 64.152 62.300 -0.132 0.000 1.038 518 V CB -0.828 30.931 31.823 -0.107 0.000 0.651 518 V HN 0.520 nan 8.190 nan 0.000 0.450 519 N N -0.036 118.598 118.700 -0.109 0.000 2.223 519 N HA -0.180 4.575 4.740 0.025 0.000 0.185 519 N C 1.938 177.355 175.510 -0.156 0.000 1.016 519 N CA 1.378 54.359 53.050 -0.115 0.000 0.863 519 N CB -0.086 38.347 38.487 -0.090 0.000 0.983 519 N HN 0.660 nan 8.380 nan 0.000 0.429 520 Q N 0.384 120.049 119.800 -0.226 0.000 2.083 520 Q HA 0.046 4.401 4.340 0.025 0.000 0.198 520 Q C 2.186 178.073 176.000 -0.188 0.000 0.969 520 Q CA 0.672 56.324 55.803 -0.252 0.000 0.838 520 Q CB 0.087 28.511 28.738 -0.523 0.000 0.900 520 Q HN 0.356 nan 8.270 nan 0.000 0.436 521 I N 0.990 121.413 120.570 -0.246 0.000 2.091 521 I HA -0.336 3.849 4.170 0.025 0.000 0.239 521 I C 2.286 178.313 176.117 -0.150 0.000 1.061 521 I CA 1.414 62.647 61.300 -0.112 0.000 1.317 521 I CB -0.408 37.515 38.000 -0.128 0.000 1.031 521 I HN 0.201 nan 8.210 nan 0.000 0.401 522 I N 0.425 120.887 120.570 -0.181 0.000 2.145 522 I HA -0.342 3.844 4.170 0.025 0.000 0.244 522 I C 2.577 178.560 176.117 -0.223 0.000 1.075 522 I CA 1.504 62.668 61.300 -0.227 0.000 1.332 522 I CB -0.440 37.485 38.000 -0.125 0.000 1.033 522 I HN 0.247 nan 8.210 nan 0.000 0.410 523 E N 0.580 120.686 120.200 -0.156 0.000 2.049 523 E HA -0.249 4.116 4.350 0.025 0.000 0.198 523 E C 2.211 178.753 176.600 -0.096 0.000 1.007 523 E CA 1.424 57.752 56.400 -0.121 0.000 0.809 523 E CB -0.142 29.509 29.700 -0.083 0.000 0.749 523 E HN 0.330 nan 8.360 nan 0.000 0.450 524 Q N -0.106 119.653 119.800 -0.067 0.000 2.077 524 Q HA -0.169 4.186 4.340 0.025 0.000 0.206 524 Q C 2.490 178.413 176.000 -0.129 0.000 0.989 524 Q CA 1.280 57.047 55.803 -0.060 0.000 0.853 524 Q CB -0.523 28.209 28.738 -0.011 0.000 0.907 524 Q HN 0.384 nan 8.270 nan 0.000 0.418 525 L N -0.017 121.061 121.223 -0.242 0.000 2.127 525 L HA -0.172 4.183 4.340 0.025 0.000 0.211 525 L C 2.346 179.047 176.870 -0.282 0.000 1.089 525 L CA 0.791 55.394 54.840 -0.394 0.000 0.757 525 L CB -0.406 41.118 42.059 -0.891 0.000 0.899 525 L HN 0.187 nan 8.230 nan 0.000 0.434 526 I N -0.657 119.807 120.570 -0.177 0.000 2.439 526 I HA -0.202 3.983 4.170 0.025 0.000 0.251 526 I C 2.314 178.468 176.117 0.062 0.000 1.139 526 I CA 0.793 62.122 61.300 0.048 0.000 1.438 526 I CB -0.218 37.850 38.000 0.112 0.000 1.085 526 I HN 0.178 nan 8.210 nan 0.000 0.427 527 K N 0.968 121.371 120.400 0.005 0.000 2.228 527 K HA 0.035 4.370 4.320 0.025 0.000 0.202 527 K C 0.791 177.400 176.600 0.014 0.000 1.051 527 K CA 0.557 56.854 56.287 0.018 0.000 0.960 527 K CB -0.161 32.337 32.500 -0.002 0.000 0.743 527 K HN 0.195 nan 8.250 nan 0.000 0.458 528 K N 1.186 121.583 120.400 -0.006 0.000 2.286 528 K HA -0.018 4.317 4.320 0.025 0.000 0.256 528 K C 1.124 177.744 176.600 0.035 0.000 0.999 528 K CA 0.308 56.596 56.287 0.001 0.000 0.908 528 K CB 0.528 33.015 32.500 -0.021 0.000 0.981 528 K HN 0.049 nan 8.250 nan 0.000 0.500 529 E N 0.551 120.771 120.200 0.033 0.000 2.251 529 E HA 0.019 4.384 4.350 0.025 0.000 0.194 529 E C -0.472 176.161 176.600 0.056 0.000 0.964 529 E CA 0.776 57.203 56.400 0.045 0.000 0.868 529 E CB 0.500 30.221 29.700 0.035 0.000 0.828 529 E HN 0.277 nan 8.360 nan 0.000 0.481 530 K N 0.287 120.718 120.400 0.052 0.000 2.588 530 K HA 0.355 4.690 4.320 0.025 0.000 0.250 530 K C -1.784 174.857 176.600 0.069 0.000 0.972 530 K CA -0.409 55.920 56.287 0.069 0.000 0.821 530 K CB 2.827 35.364 32.500 0.062 0.000 1.249 530 K HN -0.188 nan 8.250 nan 0.000 0.442 531 V N 3.148 123.116 119.914 0.092 0.000 2.540 531 V HA 0.406 4.541 4.120 0.025 0.000 0.302 531 V C -1.301 174.879 176.094 0.142 0.000 1.035 531 V CA -0.912 61.433 62.300 0.076 0.000 0.873 531 V CB 1.451 33.289 31.823 0.024 0.000 0.992 531 V HN 0.669 nan 8.190 nan 0.000 0.428 532 Y N 5.045 125.349 120.300 0.007 0.000 2.376 532 Y HA 0.797 5.362 4.550 0.025 0.000 0.340 532 Y C -1.128 174.777 175.900 0.008 0.000 0.965 532 Y CA -1.111 57.000 58.100 0.018 0.000 1.078 532 Y CB 1.837 40.305 38.460 0.013 0.000 1.193 532 Y HN 0.597 nan 8.280 nan 0.000 0.452 533 L N 5.508 126.344 121.223 -0.644 0.000 2.381 533 L HA 0.932 5.287 4.340 0.025 0.000 0.274 533 L C -1.267 175.269 176.870 -0.557 0.000 0.988 533 L CA -0.330 54.267 54.840 -0.404 0.000 0.824 533 L CB 1.535 43.476 42.059 -0.196 0.000 1.263 533 L HN 0.767 nan 8.230 nan 0.000 0.410 534 A N 3.609 126.278 122.820 -0.251 0.000 2.430 534 A HA 0.808 5.143 4.320 0.025 0.000 0.300 534 A C -2.153 175.498 177.584 0.112 0.000 1.124 534 A CA -0.557 51.441 52.037 -0.064 0.000 0.766 534 A CB 1.134 20.194 19.000 0.099 0.000 1.328 534 A HN 0.800 nan 8.150 nan 0.000 0.424 535 W N 0.918 122.204 121.300 -0.023 0.000 2.844 535 W HA 0.612 5.287 4.660 0.025 0.000 0.340 535 W C -1.250 175.290 176.519 0.035 0.000 1.093 535 W CA -0.571 56.776 57.345 0.003 0.000 1.212 535 W CB 1.914 31.368 29.460 -0.010 0.000 1.422 535 W HN 1.032 nan 8.180 nan 0.000 0.515 536 V N 4.187 123.504 119.914 -0.995 0.000 2.888 536 V HA 0.711 4.846 4.120 0.025 0.000 0.309 536 V C -2.434 172.738 176.094 -1.538 0.000 1.114 536 V CA -2.453 59.222 62.300 -1.041 0.000 0.940 536 V CB 1.581 33.173 31.823 -0.384 0.000 1.021 536 V HN 0.600 nan 8.190 nan 0.000 0.426 537 P HA 0.000 nan 4.420 nan 0.000 0.216 537 P CA 0.000 62.711 63.100 -0.649 0.000 0.800 537 P CB 0.000 31.535 31.700 -0.274 0.000 0.726