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 1lw0_1_A DATA FIRST_RESID 4 DATA SEQUENCE PIETVPVKLK PGMDGPKVKQ WPLTEEKIKA LVEICTEMEK EGKISKIGPE DATA SEQUENCE NPYNTPVFAX XXXXXXXXXK LVDFRELNKR TQDFWEVQLG IPHPAGLKKK DATA SEQUENCE KSVTVLDVGD AYFSVPLDED FRKYTAFTIP SINNETPGIR YQYNVLPQGW DATA SEQUENCE KGSPAIFQSS MTKILEPFRK QNPDIVIYQY MDDLYVGSDL EIGQHRTKIE DATA SEQUENCE ELRQHLLRWG LYTPDKKHQK 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 0.000 177.529 177.300 0.381 0.000 1.155 4 P CA 0.000 63.246 63.100 0.243 0.000 0.800 4 P CB 0.000 31.801 31.700 0.168 0.000 0.726 5 I N 0.591 121.314 120.570 0.256 0.000 2.648 5 I HA 0.616 4.796 4.170 0.017 0.000 0.304 5 I C 0.369 176.547 176.117 0.102 0.000 1.009 5 I CA -0.705 60.687 61.300 0.154 0.000 1.114 5 I CB 1.530 39.560 38.000 0.049 0.000 1.293 5 I HN 0.420 nan 8.210 nan 0.000 0.449 6 E N 2.707 122.950 120.200 0.071 0.000 2.455 6 E HA 0.136 4.496 4.350 0.017 0.000 0.259 6 E C -0.873 175.759 176.600 0.053 0.000 1.245 6 E CA 0.435 56.871 56.400 0.059 0.000 1.013 6 E CB 0.353 30.079 29.700 0.042 0.000 0.978 6 E HN 0.669 nan 8.360 nan 0.000 0.479 7 T N 1.675 116.261 114.554 0.053 0.000 2.786 7 T HA 0.385 4.746 4.350 0.017 0.000 0.283 7 T C -1.145 173.588 174.700 0.055 0.000 0.992 7 T CA -0.693 61.440 62.100 0.056 0.000 0.954 7 T CB 0.632 69.537 68.868 0.062 0.000 0.934 7 T HN 0.263 nan 8.240 nan 0.000 0.440 8 V N 8.170 128.120 119.914 0.059 0.000 2.439 8 V HA 0.253 4.384 4.120 0.017 0.000 0.271 8 V C -1.775 174.367 176.094 0.079 0.000 1.040 8 V CA -1.775 60.567 62.300 0.070 0.000 1.002 8 V CB 0.135 32.010 31.823 0.087 0.000 1.000 8 V HN 0.690 nan 8.190 nan 0.000 0.477 9 P HA 0.163 nan 4.420 nan 0.000 0.265 9 P C -0.437 176.886 177.300 0.039 0.000 1.222 9 P CA 0.256 63.391 63.100 0.059 0.000 0.767 9 P CB 1.030 32.759 31.700 0.048 0.000 0.801 10 V N 4.685 124.597 119.914 -0.003 0.000 2.966 10 V HA 0.535 4.666 4.120 0.017 0.000 0.317 10 V C 0.500 176.538 176.094 -0.094 0.000 1.070 10 V CA -0.517 61.692 62.300 -0.151 0.000 1.008 10 V CB 1.698 33.161 31.823 -0.599 0.000 1.070 10 V HN 0.491 nan 8.190 nan 0.000 0.457 11 K N 1.301 121.622 120.400 -0.132 0.000 2.551 11 K HA 0.602 4.932 4.320 0.017 0.000 0.269 11 K C -1.634 174.994 176.600 0.046 0.000 0.949 11 K CA -0.780 55.529 56.287 0.037 0.000 0.849 11 K CB 2.456 34.951 32.500 -0.008 0.000 1.411 11 K HN 0.418 nan 8.250 nan 0.000 0.432 12 L N 1.876 123.148 121.223 0.082 0.000 2.439 12 L HA 0.365 4.715 4.340 0.017 0.000 0.259 12 L C 0.375 177.228 176.870 -0.028 0.000 1.129 12 L CA -0.702 54.143 54.840 0.009 0.000 0.803 12 L CB 0.491 42.446 42.059 -0.173 0.000 1.161 12 L HN 0.378 nan 8.230 nan 0.000 0.462 13 K N 2.133 122.514 120.400 -0.032 0.000 2.469 13 K HA 0.090 4.421 4.320 0.017 0.000 0.274 13 K C -2.160 174.428 176.600 -0.020 0.000 0.983 13 K CA -1.277 54.989 56.287 -0.034 0.000 0.974 13 K CB -0.072 32.414 32.500 -0.025 0.000 0.913 13 K HN 0.349 nan 8.250 nan 0.000 0.493 14 P HA -0.129 nan 4.420 nan 0.000 0.265 14 P C 0.353 177.657 177.300 0.008 0.000 1.187 14 P CA 0.546 63.645 63.100 -0.001 0.000 0.766 14 P CB 0.340 32.038 31.700 -0.003 0.000 0.820 15 G N 1.603 110.414 108.800 0.018 0.000 2.283 15 G HA2 -0.269 3.701 3.960 0.017 0.000 0.280 15 G HA3 -0.269 3.701 3.960 0.017 0.000 0.280 15 G C -0.090 174.828 174.900 0.029 0.000 1.029 15 G CA 0.332 45.448 45.100 0.026 0.000 0.840 15 G HN 0.570 nan 8.290 nan 0.000 0.505 16 M N -0.460 119.154 119.600 0.023 0.000 2.457 16 M HA 0.468 4.958 4.480 0.017 0.000 0.300 16 M C -0.989 175.322 176.300 0.020 0.000 1.141 16 M CA -0.829 54.484 55.300 0.021 0.000 0.901 16 M CB 1.977 34.577 32.600 -0.000 0.000 1.687 16 M HN 0.116 nan 8.290 nan 0.000 0.449 17 D N 0.997 121.434 120.400 0.062 0.000 2.326 17 D HA 0.603 5.253 4.640 0.017 0.000 0.251 17 D C 0.001 176.337 176.300 0.060 0.000 1.023 17 D CA 0.060 54.145 54.000 0.142 0.000 0.966 17 D CB 1.661 42.614 40.800 0.255 0.000 1.156 17 D HN 0.701 nan 8.370 nan 0.000 0.494 18 G N 0.477 109.293 108.800 0.027 0.000 2.699 18 G HA2 0.266 4.236 3.960 0.017 0.000 0.246 18 G HA3 0.266 4.236 3.960 0.017 0.000 0.246 18 G C -2.194 172.818 174.900 0.186 0.000 1.219 18 G CA -0.803 44.138 45.100 -0.264 0.000 0.866 18 G HN 0.426 nan 8.290 nan 0.000 0.572 19 P HA 0.235 nan 4.420 nan 0.000 0.276 19 P C -0.817 176.656 177.300 0.289 0.000 1.253 19 P CA -0.173 63.055 63.100 0.213 0.000 0.766 19 P CB 1.217 33.024 31.700 0.177 0.000 0.845 20 K N 2.963 123.491 120.400 0.212 0.000 2.526 20 K HA 0.324 4.654 4.320 0.017 0.000 0.214 20 K C -0.672 175.975 176.600 0.078 0.000 1.088 20 K CA -0.583 55.793 56.287 0.148 0.000 1.058 20 K CB 0.235 32.799 32.500 0.107 0.000 1.653 20 K HN 0.281 nan 8.250 nan 0.000 0.521 21 V N 1.178 121.126 119.914 0.056 0.000 2.495 21 V HA 0.429 4.559 4.120 0.017 0.000 0.298 21 V C -0.589 175.472 176.094 -0.056 0.000 1.031 21 V CA -0.997 61.305 62.300 0.004 0.000 0.871 21 V CB 1.477 33.301 31.823 0.001 0.000 0.988 21 V HN 0.491 nan 8.190 nan 0.000 0.432 22 K N 4.489 124.859 120.400 -0.051 0.000 2.484 22 K HA 0.053 4.383 4.320 0.017 0.000 0.280 22 K C -0.019 176.470 176.600 -0.185 0.000 1.013 22 K CA 0.003 56.247 56.287 -0.071 0.000 1.029 22 K CB 0.642 33.134 32.500 -0.014 0.000 0.902 22 K HN 0.926 nan 8.250 nan 0.000 0.481 23 Q N 5.504 125.194 119.800 -0.184 0.000 2.297 23 Q HA 0.034 4.384 4.340 0.017 0.000 0.267 23 Q C -0.826 175.087 176.000 -0.145 0.000 1.006 23 Q CA -0.120 55.507 55.803 -0.294 0.000 0.896 23 Q CB 0.446 29.095 28.738 -0.148 0.000 1.186 23 Q HN 0.367 nan 8.270 nan 0.000 0.392 24 W N 4.839 126.125 121.300 -0.022 0.000 2.187 24 W HA 0.178 4.848 4.660 0.017 0.000 0.348 24 W C -2.008 174.510 176.519 -0.002 0.000 1.282 24 W CA -2.037 55.291 57.345 -0.028 0.000 1.271 24 W CB -0.826 28.596 29.460 -0.064 0.000 1.170 24 W HN 0.571 nan 8.180 nan 0.000 0.583 25 P HA 0.087 nan 4.420 nan 0.000 0.271 25 P C 0.302 177.696 177.300 0.156 0.000 1.220 25 P CA 0.341 63.528 63.100 0.144 0.000 0.768 25 P CB 0.600 32.361 31.700 0.101 0.000 0.848 26 L N 1.986 123.287 121.223 0.129 0.000 2.994 26 L HA 0.539 4.889 4.340 0.017 0.000 0.198 26 L C 0.604 177.527 176.870 0.088 0.000 1.530 26 L CA -0.425 54.493 54.840 0.129 0.000 1.565 26 L CB 0.407 42.544 42.059 0.130 0.000 2.470 26 L HN 0.227 nan 8.230 nan 0.000 0.564 27 T N -1.107 113.494 114.554 0.078 0.000 2.893 27 T HA 0.163 4.523 4.350 0.017 0.000 0.293 27 T C 0.288 175.016 174.700 0.048 0.000 1.027 27 T CA -0.595 61.538 62.100 0.055 0.000 0.988 27 T CB 1.989 70.886 68.868 0.049 0.000 1.043 27 T HN 0.322 nan 8.240 nan 0.000 0.461 28 E N 1.221 121.443 120.200 0.036 0.000 2.209 28 E HA -0.165 4.195 4.350 0.017 0.000 0.196 28 E C 1.738 178.355 176.600 0.028 0.000 0.993 28 E CA 1.065 57.484 56.400 0.031 0.000 0.819 28 E CB 0.130 29.844 29.700 0.023 0.000 0.745 28 E HN 0.784 nan 8.360 nan 0.000 0.477 29 E N 0.736 120.953 120.200 0.028 0.000 2.112 29 E HA -0.103 4.257 4.350 0.017 0.000 0.190 29 E C 1.592 178.209 176.600 0.028 0.000 0.979 29 E CA 0.717 57.130 56.400 0.023 0.000 0.814 29 E CB 0.185 29.897 29.700 0.020 0.000 0.762 29 E HN 0.110 nan 8.360 nan 0.000 0.460 30 K N 0.141 120.565 120.400 0.040 0.000 2.228 30 K HA 0.029 4.359 4.320 0.017 0.000 0.202 30 K C 2.106 178.738 176.600 0.053 0.000 1.051 30 K CA 0.513 56.830 56.287 0.049 0.000 0.960 30 K CB 0.150 32.694 32.500 0.074 0.000 0.743 30 K HN 0.199 nan 8.250 nan 0.000 0.458 31 I N 1.347 121.949 120.570 0.053 0.000 2.252 31 I HA -0.280 3.900 4.170 0.017 0.000 0.245 31 I C 1.949 178.089 176.117 0.039 0.000 1.102 31 I CA 1.308 62.639 61.300 0.053 0.000 1.385 31 I CB -0.160 37.870 38.000 0.049 0.000 1.064 31 I HN 0.113 nan 8.210 nan 0.000 0.414 32 K N 1.107 121.524 120.400 0.030 0.000 2.020 32 K HA -0.200 4.130 4.320 0.017 0.000 0.212 32 K C 2.268 178.876 176.600 0.014 0.000 1.050 32 K CA 1.822 58.121 56.287 0.020 0.000 0.929 32 K CB -0.374 32.135 32.500 0.015 0.000 0.714 32 K HN 0.307 nan 8.250 nan 0.000 0.443 33 A N 1.367 124.194 122.820 0.011 0.000 1.902 33 A HA -0.127 4.203 4.320 0.017 0.000 0.217 33 A C 2.143 179.724 177.584 -0.006 0.000 1.181 33 A CA 1.246 53.282 52.037 -0.001 0.000 0.623 33 A CB -0.655 18.343 19.000 -0.003 0.000 0.818 33 A HN 0.169 nan 8.150 nan 0.000 0.443 34 L N -0.453 120.775 121.223 0.008 0.000 2.083 34 L HA -0.160 4.190 4.340 0.017 0.000 0.209 34 L C 2.476 179.344 176.870 -0.002 0.000 1.083 34 L CA 1.191 56.033 54.840 0.005 0.000 0.752 34 L CB -0.588 41.498 42.059 0.044 0.000 0.899 34 L HN 0.267 nan 8.230 nan 0.000 0.433 35 V N -0.371 119.554 119.914 0.018 0.000 2.548 35 V HA -0.205 3.925 4.120 0.017 0.000 0.249 35 V C 2.278 178.373 176.094 0.003 0.000 1.055 35 V CA 1.419 63.734 62.300 0.026 0.000 1.065 35 V CB -0.388 31.461 31.823 0.043 0.000 0.681 35 V HN 0.449 nan 8.190 nan 0.000 0.462 36 E N -0.014 120.181 120.200 -0.007 0.000 2.152 36 E HA -0.120 4.240 4.350 0.017 0.000 0.192 36 E C 2.173 178.750 176.600 -0.039 0.000 0.983 36 E CA 1.192 57.582 56.400 -0.017 0.000 0.818 36 E CB -0.078 29.612 29.700 -0.016 0.000 0.758 36 E HN 0.567 nan 8.360 nan 0.000 0.467 37 I N 0.371 120.909 120.570 -0.055 0.000 2.286 37 I HA -0.230 3.950 4.170 0.017 0.000 0.245 37 I C 2.224 178.266 176.117 -0.125 0.000 1.104 37 I CA 0.529 61.776 61.300 -0.088 0.000 1.397 37 I CB -0.157 37.786 38.000 -0.094 0.000 1.072 37 I HN 0.183 nan 8.210 nan 0.000 0.417 38 C N 0.306 119.521 119.300 -0.141 0.000 2.456 38 C HA -0.064 4.406 4.460 0.017 0.000 0.279 38 C C 2.824 177.708 174.990 -0.177 0.000 1.427 38 C CA 1.033 59.893 59.018 -0.263 0.000 1.778 38 C CB -1.074 26.432 27.740 -0.389 0.000 1.842 38 C HN 0.499 nan 8.230 nan 0.000 0.531 39 T N 0.152 114.671 114.554 -0.059 0.000 3.010 39 T HA -0.071 4.289 4.350 0.017 0.000 0.252 39 T C 1.740 176.429 174.700 -0.018 0.000 1.047 39 T CA 1.197 63.300 62.100 0.005 0.000 1.140 39 T CB -0.084 68.799 68.868 0.024 0.000 0.885 39 T HN 0.613 nan 8.240 nan 0.000 0.464 40 E N 1.712 121.886 120.200 -0.043 0.000 2.085 40 E HA -0.097 4.263 4.350 0.017 0.000 0.194 40 E C 2.040 178.608 176.600 -0.055 0.000 0.994 40 E CA 1.497 57.870 56.400 -0.045 0.000 0.801 40 E CB -0.329 29.336 29.700 -0.059 0.000 0.743 40 E HN 0.432 nan 8.360 nan 0.000 0.453 41 M N 0.006 119.552 119.600 -0.090 0.000 2.132 41 M HA -0.111 4.380 4.480 0.017 0.000 0.263 41 M C 2.429 178.692 176.300 -0.062 0.000 1.065 41 M CA 1.826 57.061 55.300 -0.108 0.000 1.122 41 M CB -0.264 32.221 32.600 -0.191 0.000 1.365 41 M HN 0.225 nan 8.290 nan 0.000 0.411 42 E N 0.609 120.793 120.200 -0.027 0.000 2.274 42 E HA -0.150 4.210 4.350 0.017 0.000 0.194 42 E C 1.816 178.435 176.600 0.031 0.000 0.996 42 E CA 0.794 57.220 56.400 0.043 0.000 0.840 42 E CB 0.200 29.995 29.700 0.158 0.000 0.772 42 E HN 0.349 nan 8.360 nan 0.000 0.491 43 K N 0.178 120.586 120.400 0.014 0.000 2.366 43 K HA -0.054 4.277 4.320 0.017 0.000 0.198 43 K C 1.073 177.678 176.600 0.008 0.000 1.044 43 K CA 0.784 57.077 56.287 0.011 0.000 0.973 43 K CB 0.259 32.761 32.500 0.004 0.000 0.767 43 K HN 0.161 nan 8.250 nan 0.000 0.475 44 E N -1.122 119.080 120.200 0.003 0.000 2.474 44 E HA 0.070 4.430 4.350 0.017 0.000 0.195 44 E C 0.801 177.415 176.600 0.023 0.000 1.039 44 E CA 0.331 56.737 56.400 0.010 0.000 0.881 44 E CB 0.747 30.447 29.700 -0.001 0.000 0.970 44 E HN 0.425 nan 8.360 nan 0.000 0.486 45 G N 2.146 110.961 108.800 0.024 0.000 2.234 45 G HA2 -0.410 3.560 3.960 0.017 0.000 0.260 45 G HA3 -0.410 3.560 3.960 0.017 0.000 0.260 45 G C 1.048 175.976 174.900 0.046 0.000 0.987 45 G CA 0.743 45.865 45.100 0.037 0.000 0.625 45 G HN 0.263 nan 8.290 nan 0.000 0.532 46 K N 0.161 120.583 120.400 0.036 0.000 2.218 46 K HA 0.051 4.382 4.320 0.017 0.000 0.205 46 K C 1.491 178.106 176.600 0.025 0.000 1.046 46 K CA 1.586 57.906 56.287 0.054 0.000 0.933 46 K CB -0.168 32.339 32.500 0.012 0.000 0.728 46 K HN 0.861 nan 8.250 nan 0.000 0.454 47 I N -4.774 115.786 120.570 -0.017 0.000 3.279 47 I HA 0.430 4.610 4.170 0.017 0.000 0.315 47 I C -1.191 174.989 176.117 0.104 0.000 1.187 47 I CA -1.117 60.180 61.300 -0.006 0.000 0.953 47 I CB 2.654 40.566 38.000 -0.147 0.000 1.279 47 I HN -0.364 nan 8.210 nan 0.000 0.465 48 S N 0.894 116.706 115.700 0.187 0.000 2.563 48 S HA 0.322 4.803 4.470 0.017 0.000 0.279 48 S C -1.089 173.507 174.600 -0.007 0.000 1.155 48 S CA -0.945 57.331 58.200 0.126 0.000 0.928 48 S CB 1.736 64.961 63.200 0.042 0.000 1.107 48 S HN 0.558 nan 8.310 nan 0.000 0.462 49 K N 2.348 122.593 120.400 -0.259 0.000 2.524 49 K HA 0.175 4.506 4.320 0.017 0.000 0.279 49 K C 0.168 176.594 176.600 -0.291 0.000 0.993 49 K CA 0.473 56.429 56.287 -0.552 0.000 1.030 49 K CB -0.030 32.166 32.500 -0.506 0.000 0.891 49 K HN 0.630 nan 8.250 nan 0.000 0.488 50 I N -2.062 118.332 120.570 -0.292 0.000 2.957 50 I HA 0.507 4.687 4.170 0.017 0.000 0.310 50 I C 0.246 176.265 176.117 -0.163 0.000 1.063 50 I CA -1.198 59.995 61.300 -0.178 0.000 1.033 50 I CB 1.879 39.796 38.000 -0.138 0.000 1.230 50 I HN 0.467 nan 8.210 nan 0.000 0.447 51 G N 2.490 111.218 108.800 -0.119 0.000 2.380 51 G HA2 0.412 4.382 3.960 0.017 0.000 0.262 51 G HA3 0.412 4.382 3.960 0.017 0.000 0.262 51 G C -2.191 172.648 174.900 -0.102 0.000 1.243 51 G CA -1.260 43.777 45.100 -0.104 0.000 0.865 51 G HN 0.567 nan 8.290 nan 0.000 0.513 52 P HA -0.039 nan 4.420 nan 0.000 0.296 52 P C 1.062 178.310 177.300 -0.088 0.000 1.447 52 P CA 0.545 63.588 63.100 -0.095 0.000 0.750 52 P CB 0.251 31.898 31.700 -0.087 0.000 1.451 53 E N -0.089 120.060 120.200 -0.085 0.000 2.285 53 E HA -0.115 4.245 4.350 0.017 0.000 0.194 53 E C 0.784 177.324 176.600 -0.101 0.000 0.997 53 E CA 0.434 56.785 56.400 -0.082 0.000 0.845 53 E CB -0.518 29.141 29.700 -0.069 0.000 0.782 53 E HN -0.010 nan 8.360 nan 0.000 0.491 54 N N 1.332 119.971 118.700 -0.100 0.000 2.411 54 N HA 0.063 4.813 4.740 0.017 0.000 0.259 54 N C -1.877 173.539 175.510 -0.157 0.000 1.103 54 N CA -1.884 51.100 53.050 -0.111 0.000 0.954 54 N CB 1.370 39.825 38.487 -0.052 0.000 1.085 54 N HN 0.051 nan 8.380 nan 0.000 0.485 55 P HA 0.084 nan 4.420 nan 0.000 0.262 55 P C -0.689 176.407 177.300 -0.341 0.000 1.304 55 P CA 0.120 63.017 63.100 -0.338 0.000 0.859 55 P CB 0.061 31.515 31.700 -0.410 0.000 1.310 56 Y N 0.939 121.233 120.300 -0.009 0.000 2.335 56 Y HA 0.540 5.101 4.550 0.017 0.000 0.323 56 Y C 0.823 176.741 175.900 0.030 0.000 1.224 56 Y CA -0.538 57.580 58.100 0.031 0.000 1.241 56 Y CB 0.766 39.258 38.460 0.053 0.000 1.235 56 Y HN -0.131 nan 8.280 nan 0.000 0.492 57 N N -0.622 118.211 118.700 0.222 0.000 2.431 57 N HA 0.407 5.157 4.740 0.017 0.000 0.275 57 N C -1.945 173.626 175.510 0.102 0.000 1.091 57 N CA -0.424 52.706 53.050 0.133 0.000 0.922 57 N CB 1.582 40.097 38.487 0.048 0.000 1.666 57 N HN 0.523 nan 8.380 nan 0.000 0.484 58 T N 3.608 118.221 114.554 0.098 0.000 2.847 58 T HA 0.458 4.818 4.350 0.017 0.000 0.291 58 T C -2.729 171.862 174.700 -0.181 0.000 0.998 58 T CA -0.955 61.132 62.100 -0.021 0.000 0.967 58 T CB 1.695 70.588 68.868 0.043 0.000 0.954 58 T HN 0.319 nan 8.240 nan 0.000 0.441 59 P HA 0.056 nan 4.420 nan 0.000 0.261 59 P C -0.864 176.072 177.300 -0.607 0.000 1.165 59 P CA 0.146 62.759 63.100 -0.812 0.000 0.759 59 P CB 0.397 31.248 31.700 -1.415 0.000 0.772 60 V N 4.705 124.373 119.914 -0.411 0.000 2.914 60 V HA 0.760 4.890 4.120 0.017 0.000 0.314 60 V C -0.069 176.252 176.094 0.380 0.000 1.084 60 V CA -0.548 61.765 62.300 0.022 0.000 0.963 60 V CB 1.621 33.454 31.823 0.018 0.000 1.025 60 V HN 0.546 nan 8.190 nan 0.000 0.432 61 F N 0.161 120.179 119.950 0.113 0.000 2.713 61 F HA 0.967 5.504 4.527 0.017 0.000 0.311 61 F C -0.328 175.531 175.800 0.098 0.000 1.141 61 F CA -1.119 57.010 58.000 0.215 0.000 0.939 61 F CB 1.457 40.716 39.000 0.432 0.000 1.325 61 F HN 0.709 nan 8.300 nan 0.000 0.453 74 L N 3.975 125.013 121.223 -0.309 0.000 2.307 74 L HA 0.561 4.911 4.340 0.017 0.000 0.284 74 L C -0.948 175.878 176.870 -0.073 0.000 1.023 74 L CA -0.613 54.009 54.840 -0.363 0.000 0.810 74 L CB 2.038 43.471 42.059 -1.044 0.000 1.231 74 L HN 0.394 nan 8.230 nan 0.000 0.423 75 V N 2.114 122.018 119.914 -0.015 0.000 2.444 75 V HA 0.307 4.437 4.120 0.017 0.000 0.294 75 V C -0.701 175.253 176.094 -0.233 0.000 1.022 75 V CA -0.871 61.315 62.300 -0.189 0.000 0.850 75 V CB 1.683 33.201 31.823 -0.509 0.000 0.992 75 V HN 0.596 nan 8.190 nan 0.000 0.426 76 D N 3.312 123.651 120.400 -0.102 0.000 2.352 76 D HA 0.279 4.929 4.640 0.017 0.000 0.245 76 D C 0.099 176.277 176.300 -0.202 0.000 1.224 76 D CA 0.113 54.109 54.000 -0.007 0.000 0.879 76 D CB 0.481 41.336 40.800 0.091 0.000 1.057 76 D HN 0.449 nan 8.370 nan 0.000 0.491 77 F N 2.485 122.544 119.950 0.180 0.000 2.639 77 F HA 0.255 4.793 4.527 0.017 0.000 0.302 77 F C 2.053 177.959 175.800 0.177 0.000 1.097 77 F CA -0.594 57.516 58.000 0.184 0.000 1.294 77 F CB 0.308 39.454 39.000 0.245 0.000 1.027 77 F HN 0.219 nan 8.300 nan 0.000 0.550 78 R N 0.543 121.212 120.500 0.281 0.000 2.143 78 R HA -0.275 4.075 4.340 0.017 0.000 0.239 78 R C 1.957 178.378 176.300 0.202 0.000 1.126 78 R CA 2.198 58.423 56.100 0.208 0.000 0.927 78 R CB -0.506 29.886 30.300 0.153 0.000 0.860 78 R HN 0.162 nan 8.270 nan 0.000 0.433 79 E N 0.747 121.059 120.200 0.187 0.000 2.038 79 E HA -0.190 4.170 4.350 0.017 0.000 0.195 79 E C 1.809 178.527 176.600 0.197 0.000 1.000 79 E CA 1.099 57.598 56.400 0.165 0.000 0.803 79 E CB -0.325 29.458 29.700 0.138 0.000 0.750 79 E HN 0.143 nan 8.360 nan 0.000 0.448 80 L N 1.109 122.503 121.223 0.285 0.000 1.989 80 L HA -0.207 4.143 4.340 0.017 0.000 0.211 80 L C 1.605 178.664 176.870 0.315 0.000 1.071 80 L CA 1.959 56.985 54.840 0.310 0.000 0.749 80 L CB -0.982 41.346 42.059 0.449 0.000 0.890 80 L HN 0.134 nan 8.230 nan 0.000 0.431 81 N N 0.294 119.192 118.700 0.330 0.000 2.094 81 N HA -0.234 4.516 4.740 0.017 0.000 0.191 81 N C 1.753 177.341 175.510 0.130 0.000 1.023 81 N CA 1.767 54.942 53.050 0.209 0.000 0.857 81 N CB -0.344 38.241 38.487 0.162 0.000 1.013 81 N HN 0.475 nan 8.380 nan 0.000 0.426 82 K N 0.549 121.024 120.400 0.125 0.000 2.211 82 K HA -0.034 4.296 4.320 0.017 0.000 0.204 82 K C 1.827 178.468 176.600 0.068 0.000 1.047 82 K CA 0.952 57.288 56.287 0.081 0.000 0.935 82 K CB -0.001 32.547 32.500 0.081 0.000 0.728 82 K HN 0.218 nan 8.250 nan 0.000 0.452 83 R N 0.009 120.563 120.500 0.089 0.000 2.290 83 R HA 0.070 4.420 4.340 0.017 0.000 0.197 83 R C 0.167 176.506 176.300 0.065 0.000 0.913 83 R CA 0.263 56.397 56.100 0.056 0.000 1.040 83 R CB 0.506 30.825 30.300 0.031 0.000 0.992 83 R HN -0.016 nan 8.270 nan 0.000 0.500 84 T N 2.723 117.355 114.554 0.131 0.000 2.817 84 T HA 0.064 4.425 4.350 0.017 0.000 0.293 84 T C 0.022 174.700 174.700 -0.036 0.000 0.964 84 T CA -0.513 61.679 62.100 0.154 0.000 1.085 84 T CB 1.306 70.381 68.868 0.345 0.000 0.921 84 T HN 0.234 nan 8.240 nan 0.000 0.502 85 Q N 2.754 122.460 119.800 -0.157 0.000 2.427 85 Q HA 0.003 4.354 4.340 0.017 0.000 0.310 85 Q C -0.626 175.071 176.000 -0.506 0.000 1.167 85 Q CA 0.097 55.705 55.803 -0.325 0.000 0.991 85 Q CB 0.391 28.872 28.738 -0.427 0.000 1.287 85 Q HN 0.461 nan 8.270 nan 0.000 0.443 86 D N 0.554 120.719 120.400 -0.393 0.000 2.313 86 D HA 0.321 4.971 4.640 0.017 0.000 0.247 86 D C -0.672 175.340 176.300 -0.479 0.000 1.094 86 D CA 0.058 53.884 54.000 -0.290 0.000 0.925 86 D CB 0.538 41.263 40.800 -0.125 0.000 1.188 86 D HN 0.345 nan 8.370 nan 0.000 0.430 87 F N -0.352 119.535 119.950 -0.105 0.000 2.639 87 F HA 0.290 4.827 4.527 0.017 0.000 0.339 87 F C 0.370 176.188 175.800 0.030 0.000 1.071 87 F CA -1.202 56.764 58.000 -0.057 0.000 0.994 87 F CB 0.933 39.848 39.000 -0.142 0.000 1.341 87 F HN 0.259 nan 8.300 nan 0.000 0.498 88 W N 3.457 124.821 121.300 0.107 0.000 2.251 88 W HA 0.163 4.833 4.660 0.017 0.000 0.327 88 W C -0.050 176.480 176.519 0.017 0.000 1.361 88 W CA -0.638 56.725 57.345 0.030 0.000 1.234 88 W CB 0.624 30.090 29.460 0.010 0.000 1.212 88 W HN 0.707 nan 8.180 nan 0.000 0.557 89 E N 2.083 121.712 120.200 -0.952 0.000 2.900 89 E HA -0.127 4.233 4.350 0.017 0.000 0.259 89 E C 0.236 176.558 176.600 -0.465 0.000 0.918 89 E CA -0.053 55.917 56.400 -0.717 0.000 0.960 89 E CB 0.391 29.562 29.700 -0.882 0.000 0.908 89 E HN 0.290 nan 8.360 nan 0.000 0.511 90 V N 3.329 123.082 119.914 -0.269 0.000 3.366 90 V HA -0.125 4.005 4.120 0.017 0.000 0.325 90 V C 0.730 176.732 176.094 -0.153 0.000 1.168 90 V CA 0.572 62.760 62.300 -0.186 0.000 1.348 90 V CB -1.856 29.871 31.823 -0.160 0.000 1.069 90 V HN 0.814 nan 8.190 nan 0.000 0.416 91 Q N 0.637 120.311 119.800 -0.210 0.000 2.947 91 Q HA -0.216 4.135 4.340 0.017 0.000 0.078 91 Q C 0.439 176.412 176.000 -0.045 0.000 1.554 91 Q CA 0.640 56.365 55.803 -0.130 0.000 0.407 91 Q CB -0.275 28.444 28.738 -0.030 0.000 0.618 91 Q HN 0.631 nan 8.270 nan 0.000 0.320 92 L N 2.053 123.245 121.223 -0.051 0.000 2.611 92 L HA 0.142 4.492 4.340 0.017 0.000 0.229 92 L C 1.311 178.209 176.870 0.046 0.000 1.137 92 L CA 0.558 55.402 54.840 0.007 0.000 0.901 92 L CB 0.247 42.292 42.059 -0.022 0.000 1.098 92 L HN 0.538 nan 8.230 nan 0.000 0.456 93 G N 1.595 110.424 108.800 0.048 0.000 2.370 93 G HA2 0.515 4.485 3.960 0.017 0.000 0.272 93 G HA3 0.515 4.485 3.960 0.017 0.000 0.272 93 G C -0.403 174.567 174.900 0.116 0.000 1.208 93 G CA -0.235 44.903 45.100 0.063 0.000 0.856 93 G HN 0.209 nan 8.290 nan 0.000 0.500 94 I N 0.274 120.913 120.570 0.115 0.000 2.934 94 I HA 0.675 4.855 4.170 0.017 0.000 0.306 94 I C -2.523 173.652 176.117 0.096 0.000 1.110 94 I CA -2.773 58.634 61.300 0.178 0.000 1.019 94 I CB 1.974 40.121 38.000 0.244 0.000 1.227 94 I HN 0.227 nan 8.210 nan 0.000 0.434 95 P HA 0.140 nan 4.420 nan 0.000 0.269 95 P C -1.182 176.070 177.300 -0.078 0.000 1.209 95 P CA 0.205 63.219 63.100 -0.144 0.000 0.776 95 P CB 0.208 31.625 31.700 -0.471 0.000 0.876 96 H N 3.273 122.167 119.070 -0.293 0.000 2.476 96 H HA 0.218 4.784 4.556 0.017 0.000 0.328 96 H C -1.896 173.080 175.328 -0.587 0.000 1.073 96 H CA -2.310 53.497 56.048 -0.402 0.000 1.229 96 H CB 1.597 31.115 29.762 -0.407 0.000 1.432 96 H HN 0.188 nan 8.280 nan 0.000 0.477 97 P HA -0.198 nan 4.420 nan 0.000 0.218 97 P C 1.045 177.989 177.300 -0.592 0.000 1.150 97 P CA 2.211 64.790 63.100 -0.868 0.000 0.841 97 P CB 0.119 30.832 31.700 -1.645 0.000 0.784 98 A N -0.582 121.967 122.820 -0.452 0.000 2.067 98 A HA 0.028 4.359 4.320 0.017 0.000 0.219 98 A C 2.249 179.905 177.584 0.119 0.000 1.158 98 A CA 1.585 53.568 52.037 -0.090 0.000 0.661 98 A CB -1.512 17.516 19.000 0.047 0.000 0.801 98 A HN 0.311 nan 8.150 nan 0.000 0.452 99 G N -0.745 107.942 108.800 -0.189 0.000 3.026 99 G HA2 0.356 4.326 3.960 0.017 0.000 0.208 99 G HA3 0.356 4.326 3.960 0.017 0.000 0.208 99 G C 0.431 175.342 174.900 0.019 0.000 1.169 99 G CA -0.245 44.698 45.100 -0.261 0.000 0.788 99 G HN 0.391 nan 8.290 nan 0.000 0.533 100 L N 0.164 121.425 121.223 0.063 0.000 2.379 100 L HA 0.441 4.791 4.340 0.017 0.000 0.269 100 L C -0.049 176.870 176.870 0.082 0.000 1.084 100 L CA -0.639 54.179 54.840 -0.037 0.000 0.802 100 L CB 1.390 43.257 42.059 -0.321 0.000 1.175 100 L HN -0.028 nan 8.230 nan 0.000 0.448 101 K N 1.794 122.163 120.400 -0.053 0.000 2.244 101 K HA 0.332 4.662 4.320 0.017 0.000 0.260 101 K C -0.777 175.733 176.600 -0.150 0.000 0.951 101 K CA -1.001 55.283 56.287 -0.006 0.000 0.826 101 K CB 1.801 34.296 32.500 -0.008 0.000 1.108 101 K HN 0.432 nan 8.250 nan 0.000 0.433 102 K N 2.056 122.436 120.400 -0.034 0.000 2.469 102 K HA 0.092 4.422 4.320 0.017 0.000 0.274 102 K C -0.295 176.278 176.600 -0.044 0.000 0.983 102 K CA -0.008 56.257 56.287 -0.036 0.000 0.974 102 K CB 0.481 33.094 32.500 0.188 0.000 0.913 102 K HN 0.184 nan 8.250 nan 0.000 0.493 103 K N 2.489 122.859 120.400 -0.050 0.000 2.340 103 K HA 0.232 4.562 4.320 0.017 0.000 0.244 103 K C 0.196 176.791 176.600 -0.010 0.000 0.973 103 K CA -0.857 55.410 56.287 -0.034 0.000 0.828 103 K CB 1.748 34.215 32.500 -0.054 0.000 1.226 103 K HN 0.562 nan 8.250 nan 0.000 0.437 104 K N 0.537 120.918 120.400 -0.031 0.000 1.995 104 K HA 0.035 4.365 4.320 0.017 0.000 0.207 104 K C 0.483 177.034 176.600 -0.082 0.000 1.041 104 K CA 1.013 57.280 56.287 -0.034 0.000 0.942 104 K CB 0.094 32.574 32.500 -0.033 0.000 0.731 104 K HN 0.654 nan 8.250 nan 0.000 0.439 105 S N 0.338 115.898 115.700 -0.234 0.000 2.532 105 S HA 0.584 5.065 4.470 0.017 0.000 0.301 105 S C -0.624 173.752 174.600 -0.374 0.000 1.083 105 S CA -1.037 56.920 58.200 -0.404 0.000 1.025 105 S CB 2.506 65.212 63.200 -0.824 0.000 1.056 105 S HN -0.092 nan 8.310 nan 0.000 0.494 106 V N 1.831 121.705 119.914 -0.066 0.000 2.612 106 V HA 0.517 4.647 4.120 0.017 0.000 0.301 106 V C -0.635 175.657 176.094 0.330 0.000 1.059 106 V CA -0.495 61.899 62.300 0.155 0.000 0.886 106 V CB 2.059 34.028 31.823 0.243 0.000 1.007 106 V HN 1.049 nan 8.190 nan 0.000 0.426 107 T N 3.811 118.523 114.554 0.263 0.000 2.779 107 T HA 0.419 4.779 4.350 0.017 0.000 0.280 107 T C -0.430 174.208 174.700 -0.103 0.000 0.987 107 T CA -0.328 61.887 62.100 0.191 0.000 0.966 107 T CB 1.779 70.761 68.868 0.190 0.000 0.933 107 T HN 0.476 nan 8.240 nan 0.000 0.442 108 V N 5.784 125.560 119.914 -0.231 0.000 2.408 108 V HA 0.415 4.546 4.120 0.017 0.000 0.267 108 V C -0.953 174.974 176.094 -0.279 0.000 1.047 108 V CA -0.565 61.386 62.300 -0.582 0.000 0.937 108 V CB 0.261 31.636 31.823 -0.747 0.000 0.999 108 V HN 0.615 nan 8.190 nan 0.000 0.472 109 L N 7.328 128.383 121.223 -0.281 0.000 2.277 109 L HA 0.505 4.855 4.340 0.017 0.000 0.284 109 L C 0.171 176.956 176.870 -0.141 0.000 1.028 109 L CA 0.215 54.953 54.840 -0.169 0.000 0.835 109 L CB 1.196 43.164 42.059 -0.152 0.000 1.215 109 L HN 0.691 nan 8.230 nan 0.000 0.425 110 D N 2.446 122.789 120.400 -0.094 0.000 2.304 110 D HA 0.316 4.966 4.640 0.017 0.000 0.247 110 D C -1.024 175.260 176.300 -0.028 0.000 1.089 110 D CA -0.257 53.719 54.000 -0.041 0.000 0.910 110 D CB 1.882 42.684 40.800 0.003 0.000 1.199 110 D HN 0.185 nan 8.370 nan 0.000 0.426 111 V N 2.440 122.363 119.914 0.016 0.000 2.378 111 V HA 0.489 4.619 4.120 0.017 0.000 0.288 111 V C 0.816 176.929 176.094 0.031 0.000 1.016 111 V CA -0.921 61.399 62.300 0.032 0.000 0.840 111 V CB 1.353 33.229 31.823 0.088 0.000 0.994 111 V HN 0.596 nan 8.190 nan 0.000 0.431 112 G N 1.602 110.457 108.800 0.092 0.000 2.367 112 G HA2 0.551 4.521 3.960 0.017 0.000 0.314 112 G HA3 0.551 4.521 3.960 0.017 0.000 0.314 112 G C -0.063 174.855 174.900 0.031 0.000 1.130 112 G CA -0.237 44.919 45.100 0.092 0.000 0.864 112 G HN 0.835 nan 8.290 nan 0.000 0.486 113 D N -0.168 120.196 120.400 -0.060 0.000 3.077 113 D HA -0.277 4.373 4.640 0.017 0.000 0.217 113 D C 1.936 177.988 176.300 -0.413 0.000 1.162 113 D CA 1.519 55.437 54.000 -0.137 0.000 0.943 113 D CB -0.946 40.021 40.800 0.280 0.000 1.122 113 D HN 0.718 nan 8.370 nan 0.000 0.413 114 A N -0.362 122.218 122.820 -0.400 0.000 1.883 114 A HA -0.367 3.964 4.320 0.017 0.000 0.222 114 A C 1.866 179.045 177.584 -0.676 0.000 1.339 114 A CA 2.299 54.019 52.037 -0.530 0.000 0.692 114 A CB -1.286 17.396 19.000 -0.531 0.000 0.845 114 A HN 0.624 nan 8.150 nan 0.000 0.467 115 Y N -1.598 118.108 120.300 -0.990 0.000 2.165 115 Y HA -0.261 4.299 4.550 0.017 0.000 0.286 115 Y C 2.336 177.983 175.900 -0.422 0.000 1.155 115 Y CA 0.988 58.642 58.100 -0.743 0.000 1.164 115 Y CB -0.427 37.684 38.460 -0.582 0.000 0.978 115 Y HN 0.401 nan 8.280 nan 0.000 0.513 116 F N -0.630 119.349 119.950 0.047 0.000 2.333 116 F HA -0.171 4.366 4.527 0.017 0.000 0.300 116 F C 2.325 178.141 175.800 0.027 0.000 1.083 116 F CA 0.701 58.734 58.000 0.055 0.000 1.395 116 F CB -1.382 37.654 39.000 0.060 0.000 1.056 116 F HN -0.120 nan 8.300 nan 0.000 0.529 117 S N -0.495 115.246 115.700 0.067 0.000 2.447 117 S HA -0.003 4.477 4.470 0.017 0.000 0.233 117 S C 0.827 175.454 174.600 0.044 0.000 1.006 117 S CA 0.409 58.641 58.200 0.053 0.000 0.957 117 S CB -0.356 62.839 63.200 -0.009 0.000 0.773 117 S HN 0.037 nan 8.310 nan 0.000 0.507 118 V N 3.737 123.651 119.914 -0.001 0.000 2.483 118 V HA 0.350 4.480 4.120 0.017 0.000 0.295 118 V C -2.065 174.057 176.094 0.046 0.000 1.035 118 V CA -2.412 59.895 62.300 0.012 0.000 0.896 118 V CB 1.353 33.151 31.823 -0.043 0.000 0.986 118 V HN 0.054 nan 8.190 nan 0.000 0.447 119 P HA 0.234 nan 4.420 nan 0.000 0.280 119 P C -0.955 176.376 177.300 0.051 0.000 1.278 119 P CA -0.217 62.925 63.100 0.069 0.000 0.787 119 P CB 0.899 32.642 31.700 0.072 0.000 1.163 120 L N -0.409 120.848 121.223 0.057 0.000 2.445 120 L HA 0.440 4.790 4.340 0.017 0.000 0.262 120 L C -0.872 176.043 176.870 0.075 0.000 0.974 120 L CA -0.834 54.028 54.840 0.038 0.000 0.822 120 L CB 1.617 43.676 42.059 0.001 0.000 1.339 120 L HN 0.143 nan 8.230 nan 0.000 0.409 121 D N 2.669 123.121 120.400 0.088 0.000 2.570 121 D HA -0.076 4.574 4.640 0.017 0.000 0.243 121 D C 1.154 177.547 176.300 0.153 0.000 1.171 121 D CA 0.811 54.884 54.000 0.121 0.000 0.879 121 D CB 0.798 41.677 40.800 0.131 0.000 1.143 121 D HN 0.648 nan 8.370 nan 0.000 0.511 122 E N 2.889 123.155 120.200 0.111 0.000 2.086 122 E HA -0.266 4.094 4.350 0.017 0.000 0.200 122 E C 0.514 177.173 176.600 0.099 0.000 1.012 122 E CA 1.433 57.887 56.400 0.090 0.000 0.812 122 E CB 0.129 29.870 29.700 0.068 0.000 0.743 122 E HN 0.621 nan 8.360 nan 0.000 0.453 123 D N -0.975 119.503 120.400 0.130 0.000 2.378 123 D HA -0.094 4.556 4.640 0.017 0.000 0.227 123 D C 1.201 177.631 176.300 0.217 0.000 1.012 123 D CA 0.331 54.414 54.000 0.138 0.000 0.905 123 D CB -0.265 40.627 40.800 0.153 0.000 0.895 123 D HN 0.210 nan 8.370 nan 0.000 0.532 124 F N 0.732 120.721 119.950 0.066 0.000 2.653 124 F HA 0.195 4.732 4.527 0.017 0.000 0.288 124 F C 1.953 177.775 175.800 0.037 0.000 1.121 124 F CA -0.122 57.958 58.000 0.133 0.000 1.384 124 F CB 0.317 39.369 39.000 0.087 0.000 1.115 124 F HN -0.294 nan 8.300 nan 0.000 0.599 125 R N 1.154 121.667 120.500 0.022 0.000 2.154 125 R HA -0.249 4.101 4.340 0.017 0.000 0.248 125 R C 2.206 178.433 176.300 -0.122 0.000 1.155 125 R CA 2.102 58.185 56.100 -0.028 0.000 0.979 125 R CB -0.562 29.761 30.300 0.038 0.000 0.869 125 R HN 0.387 nan 8.270 nan 0.000 0.452 126 K N -0.034 120.221 120.400 -0.242 0.000 2.074 126 K HA -0.224 4.106 4.320 0.017 0.000 0.209 126 K C 1.393 177.780 176.600 -0.354 0.000 1.048 126 K CA 1.887 57.994 56.287 -0.299 0.000 0.926 126 K CB -0.561 31.677 32.500 -0.437 0.000 0.713 126 K HN 0.167 nan 8.250 nan 0.000 0.444 127 Y N 2.432 122.476 120.300 -0.427 0.000 2.483 127 Y HA -0.097 4.464 4.550 0.017 0.000 0.291 127 Y C 2.176 177.920 175.900 -0.261 0.000 1.143 127 Y CA 1.391 59.147 58.100 -0.574 0.000 1.289 127 Y CB -0.643 37.209 38.460 -1.014 0.000 0.983 127 Y HN 0.390 nan 8.280 nan 0.000 0.556 128 T N -2.271 112.269 114.554 -0.024 0.000 3.272 128 T HA 0.504 4.864 4.350 0.017 0.000 0.250 128 T C 0.756 175.744 174.700 0.481 0.000 1.082 128 T CA -0.004 62.239 62.100 0.237 0.000 0.968 128 T CB -0.681 68.312 68.868 0.208 0.000 1.015 128 T HN 0.211 nan 8.240 nan 0.000 0.563 129 A N 1.708 124.716 122.820 0.313 0.000 2.445 129 A HA 0.605 4.935 4.320 0.017 0.000 0.242 129 A C -0.075 177.741 177.584 0.386 0.000 1.075 129 A CA -0.597 51.609 52.037 0.281 0.000 0.777 129 A CB -0.265 18.815 19.000 0.133 0.000 1.013 129 A HN 0.794 nan 8.150 nan 0.000 0.493 130 F N -1.217 118.797 119.950 0.107 0.000 2.685 130 F HA 0.819 5.356 4.527 0.017 0.000 0.315 130 F C -0.447 175.381 175.800 0.047 0.000 1.126 130 F CA -0.816 57.210 58.000 0.042 0.000 0.950 130 F CB 1.456 40.471 39.000 0.026 0.000 1.360 130 F HN 0.388 nan 8.300 nan 0.000 0.469 131 T N 2.865 117.497 114.554 0.129 0.000 2.886 131 T HA 0.531 4.891 4.350 0.017 0.000 0.292 131 T C -1.007 173.758 174.700 0.108 0.000 1.012 131 T CA -0.480 61.632 62.100 0.018 0.000 0.982 131 T CB 1.745 70.604 68.868 -0.015 0.000 1.018 131 T HN 0.501 nan 8.240 nan 0.000 0.451 132 I N 5.240 125.869 120.570 0.099 0.000 2.291 132 I HA 0.287 4.468 4.170 0.017 0.000 0.290 132 I C -1.972 174.184 176.117 0.065 0.000 1.050 132 I CA -3.121 58.250 61.300 0.118 0.000 1.245 132 I CB 0.543 38.632 38.000 0.149 0.000 1.405 132 I HN 0.322 nan 8.210 nan 0.000 0.478 133 P HA 0.018 nan 4.420 nan 0.000 0.268 133 P C 0.090 177.410 177.300 0.033 0.000 1.208 133 P CA 0.012 63.134 63.100 0.037 0.000 0.777 133 P CB 1.197 32.924 31.700 0.044 0.000 0.875 134 S N 0.782 116.494 115.700 0.020 0.000 2.645 134 S HA 0.289 4.769 4.470 0.017 0.000 0.266 134 S C 1.486 176.097 174.600 0.019 0.000 1.258 134 S CA -0.762 57.447 58.200 0.015 0.000 0.990 134 S CB -0.071 63.131 63.200 0.004 0.000 0.967 134 S HN 0.335 nan 8.310 nan 0.000 0.556 135 I N 1.074 121.654 120.570 0.016 0.000 2.556 135 I HA 0.126 4.306 4.170 0.017 0.000 0.251 135 I C 0.393 176.517 176.117 0.012 0.000 1.105 135 I CA 0.145 61.455 61.300 0.017 0.000 1.436 135 I CB -0.350 37.660 38.000 0.016 0.000 1.139 135 I HN 0.446 nan 8.210 nan 0.000 0.438 136 N N 1.665 120.369 118.700 0.007 0.000 2.479 136 N HA 0.135 4.885 4.740 0.017 0.000 0.285 136 N C 0.724 176.235 175.510 0.002 0.000 1.075 136 N CA -0.227 52.826 53.050 0.004 0.000 0.967 136 N CB 0.635 39.122 38.487 0.001 0.000 1.137 136 N HN 0.054 nan 8.380 nan 0.000 0.472 137 N N 1.523 120.225 118.700 0.002 0.000 2.055 137 N HA -0.276 4.474 4.740 0.017 0.000 0.200 137 N C 0.643 176.151 175.510 -0.003 0.000 1.037 137 N CA 1.600 54.650 53.050 0.001 0.000 0.881 137 N CB -0.085 38.403 38.487 0.001 0.000 1.075 137 N HN 0.661 nan 8.380 nan 0.000 0.470 138 E N 0.979 121.176 120.200 -0.005 0.000 2.411 138 E HA 0.116 4.476 4.350 0.017 0.000 0.204 138 E C -0.308 176.285 176.600 -0.012 0.000 1.059 138 E CA -0.310 56.084 56.400 -0.009 0.000 1.112 138 E CB -0.038 29.656 29.700 -0.010 0.000 1.168 138 E HN 0.245 nan 8.360 nan 0.000 0.445 139 T N -0.496 114.052 114.554 -0.010 0.000 2.990 139 T HA 0.358 4.718 4.350 0.017 0.000 0.296 139 T C -1.722 172.968 174.700 -0.017 0.000 1.189 139 T CA -1.024 61.068 62.100 -0.013 0.000 0.938 139 T CB -0.239 68.625 68.868 -0.008 0.000 1.994 139 T HN 0.104 nan 8.240 nan 0.000 0.584 140 P HA 0.338 nan 4.420 nan 0.000 0.310 140 P C 0.118 177.403 177.300 -0.024 0.000 1.309 140 P CA -0.018 63.066 63.100 -0.028 0.000 0.753 140 P CB -0.126 31.557 31.700 -0.028 0.000 1.491 141 G N -0.539 108.242 108.800 -0.032 0.000 3.937 141 G HA2 0.179 4.149 3.960 0.017 0.000 0.232 141 G HA3 0.179 4.149 3.960 0.017 0.000 0.232 141 G C 0.062 174.932 174.900 -0.050 0.000 3.605 141 G CA -0.580 44.504 45.100 -0.027 0.000 0.702 141 G HN 0.470 nan 8.290 nan 0.000 0.296 142 I N -0.082 120.457 120.570 -0.052 0.000 3.184 142 I HA 0.010 4.190 4.170 0.017 0.000 0.333 142 I C 0.013 176.039 176.117 -0.151 0.000 1.214 142 I CA 0.594 61.828 61.300 -0.111 0.000 1.465 142 I CB -0.386 37.601 38.000 -0.021 0.000 1.308 142 I HN 0.157 nan 8.210 nan 0.000 0.525 143 R N 5.733 126.049 120.500 -0.307 0.000 2.514 143 R HA 0.658 5.009 4.340 0.017 0.000 0.301 143 R C -1.080 174.905 176.300 -0.525 0.000 0.962 143 R CA -0.721 55.182 56.100 -0.329 0.000 0.882 143 R CB 1.986 32.145 30.300 -0.236 0.000 1.143 143 R HN 0.613 nan 8.270 nan 0.000 0.452 144 Y N -0.012 119.904 120.300 -0.640 0.000 2.705 144 Y HA 0.341 4.902 4.550 0.017 0.000 0.332 144 Y C -0.068 175.569 175.900 -0.438 0.000 1.157 144 Y CA -0.808 56.935 58.100 -0.595 0.000 1.091 144 Y CB 1.914 39.888 38.460 -0.809 0.000 1.301 144 Y HN 0.439 nan 8.280 nan 0.000 0.488 145 Q N -0.599 119.230 119.800 0.048 0.000 2.435 145 Q HA 0.482 4.832 4.340 0.017 0.000 0.282 145 Q C -2.266 173.863 176.000 0.215 0.000 1.020 145 Q CA -1.064 54.847 55.803 0.181 0.000 0.820 145 Q CB 2.024 30.816 28.738 0.089 0.000 1.436 145 Q HN 0.620 nan 8.270 nan 0.000 0.395 146 Y N 1.237 121.665 120.300 0.213 0.000 2.304 146 Y HA 0.267 4.828 4.550 0.017 0.000 0.327 146 Y C 0.861 176.804 175.900 0.072 0.000 1.209 146 Y CA 0.215 58.401 58.100 0.142 0.000 1.299 146 Y CB 1.051 39.564 38.460 0.088 0.000 1.249 146 Y HN 0.729 nan 8.280 nan 0.000 0.519 147 N N 0.750 119.594 118.700 0.241 0.000 2.171 147 N HA 0.094 4.844 4.740 0.017 0.000 0.212 147 N C -0.215 175.385 175.510 0.151 0.000 1.184 147 N CA 0.392 53.532 53.050 0.151 0.000 0.888 147 N CB 0.892 39.444 38.487 0.108 0.000 1.038 147 N HN 0.418 nan 8.380 nan 0.000 0.517 148 V N -2.214 117.829 119.914 0.216 0.000 4.114 148 V HA 0.579 4.709 4.120 0.017 0.000 0.293 148 V C -0.063 176.087 176.094 0.092 0.000 1.371 148 V CA -0.869 61.533 62.300 0.171 0.000 0.929 148 V CB 0.810 32.776 31.823 0.237 0.000 1.281 148 V HN -0.197 nan 8.190 nan 0.000 0.468 149 L N 2.315 123.589 121.223 0.086 0.000 2.264 149 L HA 0.517 4.867 4.340 0.017 0.000 0.287 149 L C -2.541 174.353 176.870 0.040 0.000 1.039 149 L CA -1.520 53.316 54.840 -0.007 0.000 0.829 149 L CB 1.174 43.198 42.059 -0.060 0.000 1.211 149 L HN 0.456 nan 8.230 nan 0.000 0.427 150 P HA 0.111 nan 4.420 nan 0.000 0.276 150 P C -0.722 176.625 177.300 0.079 0.000 1.235 150 P CA -0.298 62.553 63.100 -0.416 0.000 0.772 150 P CB 0.587 31.609 31.700 -1.129 0.000 0.871 151 Q N 1.279 121.258 119.800 0.299 0.000 2.417 151 Q HA 0.354 4.704 4.340 0.017 0.000 0.241 151 Q C 1.358 177.555 176.000 0.329 0.000 1.008 151 Q CA 0.515 56.529 55.803 0.351 0.000 0.901 151 Q CB 0.090 28.953 28.738 0.209 0.000 1.259 151 Q HN 0.810 nan 8.270 nan 0.000 0.489 152 G N 0.343 109.324 108.800 0.303 0.000 2.234 152 G HA2 -0.274 3.697 3.960 0.017 0.000 0.260 152 G HA3 -0.274 3.697 3.960 0.017 0.000 0.260 152 G C -0.487 174.621 174.900 0.347 0.000 0.987 152 G CA 0.213 45.509 45.100 0.327 0.000 0.625 152 G HN 0.647 nan 8.290 nan 0.000 0.532 153 W N 1.851 123.151 121.300 0.001 0.000 2.251 153 W HA 0.645 5.315 4.660 0.017 0.000 0.329 153 W C 1.370 177.834 176.519 -0.093 0.000 1.234 153 W CA -0.401 56.840 57.345 -0.174 0.000 1.228 153 W CB 0.808 30.029 29.460 -0.399 0.000 1.135 153 W HN 0.105 nan 8.180 nan 0.000 0.576 154 K N 2.325 122.209 120.400 -0.859 0.000 1.980 154 K HA -0.177 4.153 4.320 0.017 0.000 0.223 154 K C 1.902 177.820 176.600 -1.137 0.000 1.052 154 K CA 2.351 58.144 56.287 -0.825 0.000 0.974 154 K CB -0.960 31.131 32.500 -0.682 0.000 0.734 154 K HN 0.742 nan 8.250 nan 0.000 0.447 155 G N -0.170 107.287 108.800 -2.238 0.000 2.708 155 G HA2 -0.140 3.830 3.960 0.017 0.000 0.210 155 G HA3 -0.140 3.830 3.960 0.017 0.000 0.210 155 G C 1.236 175.487 174.900 -1.081 0.000 1.141 155 G CA 0.627 44.311 45.100 -2.360 0.000 0.788 155 G HN 0.291 nan 8.290 nan 0.000 0.531 156 S N 1.710 117.086 115.700 -0.540 0.000 2.354 156 S HA -0.093 4.387 4.470 0.017 0.000 0.219 156 S C 0.284 174.514 174.600 -0.617 0.000 1.035 156 S CA 1.554 59.496 58.200 -0.431 0.000 1.037 156 S CB -0.846 62.120 63.200 -0.390 0.000 0.956 156 S HN 0.291 nan 8.310 nan 0.000 0.428 157 P HA -0.174 nan 4.420 nan 0.000 0.218 157 P C 1.299 178.435 177.300 -0.275 0.000 1.154 157 P CA 1.788 64.723 63.100 -0.275 0.000 0.872 157 P CB -0.104 31.517 31.700 -0.132 0.000 0.790 158 A N -0.996 121.616 122.820 -0.347 0.000 1.832 158 A HA -0.132 4.198 4.320 0.017 0.000 0.214 158 A C 2.223 179.681 177.584 -0.209 0.000 1.204 158 A CA 1.351 53.224 52.037 -0.272 0.000 0.606 158 A CB -1.544 17.268 19.000 -0.312 0.000 0.849 158 A HN 0.068 nan 8.150 nan 0.000 0.445 159 I N -1.035 119.382 120.570 -0.254 0.000 2.194 159 I HA -0.302 3.878 4.170 0.017 0.000 0.246 159 I C 2.400 178.492 176.117 -0.042 0.000 1.093 159 I CA 1.935 63.161 61.300 -0.123 0.000 1.355 159 I CB -0.360 37.576 38.000 -0.107 0.000 1.046 159 I HN 0.574 nan 8.210 nan 0.000 0.413 160 F N 1.300 121.067 119.950 -0.305 0.000 1.997 160 F HA -0.380 4.157 4.527 0.017 0.000 0.296 160 F C 2.793 178.474 175.800 -0.197 0.000 1.160 160 F CA 1.604 59.438 58.000 -0.277 0.000 1.176 160 F CB -0.210 38.534 39.000 -0.427 0.000 0.964 160 F HN -0.041 nan 8.300 nan 0.000 0.484 161 Q N 0.932 120.442 119.800 -0.483 0.000 1.991 161 Q HA -0.329 4.022 4.340 0.017 0.000 0.213 161 Q C 2.441 178.275 176.000 -0.277 0.000 1.022 161 Q CA 3.057 58.530 55.803 -0.550 0.000 0.877 161 Q CB -0.958 27.552 28.738 -0.379 0.000 0.970 161 Q HN 0.566 nan 8.270 nan 0.000 0.414 162 S N -1.087 114.517 115.700 -0.159 0.000 2.401 162 S HA -0.304 4.177 4.470 0.017 0.000 0.236 162 S C 2.068 176.618 174.600 -0.084 0.000 1.058 162 S CA 2.350 60.498 58.200 -0.087 0.000 1.151 162 S CB -0.836 62.339 63.200 -0.042 0.000 1.049 162 S HN 0.497 nan 8.310 nan 0.000 0.432 163 S N 1.416 117.083 115.700 -0.055 0.000 2.359 163 S HA -0.132 4.348 4.470 0.017 0.000 0.224 163 S C 1.836 176.375 174.600 -0.102 0.000 1.035 163 S CA 1.729 59.895 58.200 -0.057 0.000 1.018 163 S CB -0.659 62.538 63.200 -0.005 0.000 0.876 163 S HN 0.650 nan 8.310 nan 0.000 0.448 164 M N 2.440 122.004 119.600 -0.060 0.000 2.163 164 M HA -0.174 4.316 4.480 0.017 0.000 0.258 164 M C 1.967 178.171 176.300 -0.159 0.000 1.071 164 M CA 2.099 57.338 55.300 -0.101 0.000 1.093 164 M CB -1.835 30.644 32.600 -0.202 0.000 1.285 164 M HN 0.256 nan 8.290 nan 0.000 0.420 165 T N 1.010 115.464 114.554 -0.166 0.000 2.594 165 T HA -0.297 4.063 4.350 0.017 0.000 0.266 165 T C 1.828 176.463 174.700 -0.108 0.000 1.070 165 T CA 2.414 64.436 62.100 -0.131 0.000 1.166 165 T CB -0.504 68.297 68.868 -0.112 0.000 0.862 165 T HN 0.474 nan 8.240 nan 0.000 0.436 166 K N 0.201 120.532 120.400 -0.114 0.000 2.127 166 K HA -0.126 4.204 4.320 0.017 0.000 0.208 166 K C 2.243 178.756 176.600 -0.144 0.000 1.047 166 K CA 1.534 57.755 56.287 -0.110 0.000 0.927 166 K CB -0.427 32.003 32.500 -0.117 0.000 0.716 166 K HN 0.434 nan 8.250 nan 0.000 0.450 167 I N 0.808 121.230 120.570 -0.247 0.000 2.233 167 I HA -0.257 3.923 4.170 0.017 0.000 0.243 167 I C 2.005 178.123 176.117 0.001 0.000 1.093 167 I CA 0.729 61.836 61.300 -0.321 0.000 1.380 167 I CB -0.264 37.369 38.000 -0.612 0.000 1.067 167 I HN 0.083 nan 8.210 nan 0.000 0.413 168 L N 0.627 121.828 121.223 -0.037 0.000 2.083 168 L HA -0.203 4.147 4.340 0.017 0.000 0.209 168 L C 2.453 179.360 176.870 0.060 0.000 1.083 168 L CA 1.671 56.509 54.840 -0.003 0.000 0.752 168 L CB -1.573 40.439 42.059 -0.079 0.000 0.899 168 L HN 0.439 nan 8.230 nan 0.000 0.433 169 E N 0.389 120.610 120.200 0.035 0.000 2.113 169 E HA -0.269 4.091 4.350 0.017 0.000 0.210 169 E C -0.435 176.217 176.600 0.085 0.000 1.040 169 E CA 2.292 58.721 56.400 0.048 0.000 0.847 169 E CB -0.648 29.069 29.700 0.027 0.000 0.755 169 E HN 0.295 nan 8.360 nan 0.000 0.459 170 P HA -0.183 nan 4.420 nan 0.000 0.205 170 P C 1.265 178.617 177.300 0.087 0.000 1.181 170 P CA 1.467 64.660 63.100 0.156 0.000 0.933 170 P CB -0.417 31.481 31.700 0.331 0.000 0.775 171 F N 0.531 120.352 119.950 -0.214 0.000 2.106 171 F HA -0.338 4.199 4.527 0.017 0.000 0.299 171 F C 2.283 177.988 175.800 -0.159 0.000 1.082 171 F CA 1.731 59.512 58.000 -0.365 0.000 1.244 171 F CB -0.286 38.328 39.000 -0.645 0.000 0.997 171 F HN -0.214 nan 8.300 nan 0.000 0.486 172 R N 0.215 120.849 120.500 0.224 0.000 2.105 172 R HA -0.175 4.176 4.340 0.017 0.000 0.239 172 R C 2.077 178.403 176.300 0.043 0.000 1.135 172 R CA 1.854 58.043 56.100 0.148 0.000 0.967 172 R CB -0.412 29.946 30.300 0.097 0.000 0.861 172 R HN 0.375 nan 8.270 nan 0.000 0.442 173 K N 0.365 120.776 120.400 0.019 0.000 2.366 173 K HA -0.080 4.250 4.320 0.017 0.000 0.198 173 K C 1.787 178.361 176.600 -0.043 0.000 1.044 173 K CA 0.762 57.047 56.287 -0.004 0.000 0.973 173 K CB 0.181 32.687 32.500 0.011 0.000 0.767 173 K HN 0.277 nan 8.250 nan 0.000 0.475 174 Q N 0.176 119.917 119.800 -0.099 0.000 2.425 174 Q HA 0.079 4.429 4.340 0.017 0.000 0.204 174 Q C -0.034 175.851 176.000 -0.192 0.000 0.933 174 Q CA 0.389 56.102 55.803 -0.149 0.000 0.939 174 Q CB 0.440 29.051 28.738 -0.213 0.000 1.044 174 Q HN 0.196 nan 8.270 nan 0.000 0.513 175 N N 0.885 119.481 118.700 -0.173 0.000 2.687 175 N HA 0.107 4.857 4.740 0.017 0.000 0.275 175 N C -2.393 173.100 175.510 -0.029 0.000 1.789 175 N CA -0.699 52.270 53.050 -0.135 0.000 0.806 175 N CB 1.316 39.661 38.487 -0.237 0.000 1.256 175 N HN 0.075 nan 8.380 nan 0.000 0.500 176 P HA -0.087 nan 4.420 nan 0.000 0.239 176 P C 0.340 177.647 177.300 0.012 0.000 1.184 176 P CA 0.975 64.077 63.100 0.003 0.000 0.760 176 P CB 0.385 32.082 31.700 -0.005 0.000 0.884 177 D N -0.459 119.948 120.400 0.012 0.000 2.277 177 D HA -0.013 4.637 4.640 0.017 0.000 0.209 177 D C 0.955 177.283 176.300 0.047 0.000 0.970 177 D CA 0.181 54.194 54.000 0.022 0.000 0.874 177 D CB -0.311 40.499 40.800 0.017 0.000 0.982 177 D HN 0.122 nan 8.370 nan 0.000 0.504 178 I N 2.303 122.913 120.570 0.067 0.000 2.471 178 I HA 0.113 4.293 4.170 0.017 0.000 0.286 178 I C 0.217 176.390 176.117 0.094 0.000 1.079 178 I CA -0.678 60.689 61.300 0.111 0.000 1.398 178 I CB 1.188 39.299 38.000 0.185 0.000 1.403 178 I HN -0.232 nan 8.210 nan 0.000 0.530 179 V N 8.198 128.159 119.914 0.078 0.000 2.398 179 V HA 0.478 4.609 4.120 0.017 0.000 0.286 179 V C 0.202 176.329 176.094 0.056 0.000 1.026 179 V CA -0.479 61.852 62.300 0.052 0.000 0.868 179 V CB 1.947 33.782 31.823 0.020 0.000 0.982 179 V HN 0.457 nan 8.190 nan 0.000 0.443 180 I N 5.306 125.906 120.570 0.050 0.000 2.466 180 I HA 0.433 4.613 4.170 0.017 0.000 0.289 180 I C -1.225 174.936 176.117 0.073 0.000 1.026 180 I CA -0.742 60.584 61.300 0.044 0.000 1.078 180 I CB 1.910 39.905 38.000 -0.009 0.000 1.249 180 I HN 0.601 nan 8.210 nan 0.000 0.429 181 Y N 5.740 126.006 120.300 -0.057 0.000 2.352 181 Y HA 0.394 4.955 4.550 0.018 0.000 0.339 181 Y C -0.406 175.478 175.900 -0.026 0.000 0.992 181 Y CA -0.425 57.623 58.100 -0.088 0.000 1.100 181 Y CB 1.493 39.825 38.460 -0.214 0.000 1.192 181 Y HN 0.528 nan 8.280 nan 0.000 0.458 182 Q N 6.710 126.090 119.800 -0.701 0.000 2.347 182 Q HA 0.219 4.569 4.340 0.017 0.000 0.262 182 Q C -2.204 173.361 176.000 -0.725 0.000 0.980 182 Q CA -0.811 54.669 55.803 -0.539 0.000 0.867 182 Q CB 1.055 29.561 28.738 -0.388 0.000 1.242 182 Q HN 0.882 nan 8.270 nan 0.000 0.453 183 Y N 6.694 126.700 120.300 -0.491 0.000 2.488 183 Y HA 0.248 4.808 4.550 0.018 0.000 0.330 183 Y C 0.167 176.047 175.900 -0.034 0.000 1.013 183 Y CA -0.394 57.561 58.100 -0.242 0.000 1.304 183 Y CB 0.513 39.010 38.460 0.061 0.000 1.098 183 Y HN 1.012 nan 8.280 nan 0.000 0.498 184 M N 1.486 120.779 119.600 -0.512 0.000 7.319 184 M HA -0.421 4.069 4.480 0.017 0.000 0.313 184 M C 0.127 176.356 176.300 -0.118 0.000 0.480 184 M CA 2.244 57.322 55.300 -0.370 0.000 1.311 184 M CB -0.860 31.439 32.600 -0.502 0.000 0.421 184 M HN 0.658 nan 8.290 nan 0.000 0.747 185 D N 0.564 120.969 120.400 0.008 0.000 2.340 185 D HA 0.171 4.821 4.640 0.017 0.000 0.220 185 D C -0.534 175.807 176.300 0.068 0.000 1.039 185 D CA 0.542 54.616 54.000 0.122 0.000 0.866 185 D CB -0.041 40.799 40.800 0.067 0.000 0.913 185 D HN 0.263 nan 8.370 nan 0.000 0.523 186 D N -0.758 119.677 120.400 0.058 0.000 2.437 186 D HA 0.524 5.174 4.640 0.017 0.000 0.259 186 D C -0.764 175.544 176.300 0.013 0.000 1.118 186 D CA -0.430 53.598 54.000 0.046 0.000 1.017 186 D CB 1.428 42.333 40.800 0.175 0.000 1.120 186 D HN -0.208 nan 8.370 nan 0.000 0.541 187 L N 1.619 122.777 121.223 -0.109 0.000 2.753 187 L HA 0.246 4.596 4.340 0.017 0.000 0.259 187 L C -1.873 174.891 176.870 -0.177 0.000 0.958 187 L CA -0.447 54.350 54.840 -0.071 0.000 0.955 187 L CB 0.717 42.712 42.059 -0.106 0.000 1.317 187 L HN 0.296 nan 8.230 nan 0.000 0.436 188 Y N 3.681 123.909 120.300 -0.120 0.000 2.336 188 Y HA 0.614 5.174 4.550 0.017 0.000 0.335 188 Y C 0.233 176.076 175.900 -0.095 0.000 1.046 188 Y CA -0.779 57.219 58.100 -0.170 0.000 1.198 188 Y CB 1.250 39.572 38.460 -0.230 0.000 1.182 188 Y HN 0.232 nan 8.280 nan 0.000 0.502 189 V N 2.828 122.753 119.914 0.019 0.000 2.447 189 V HA 0.800 4.931 4.120 0.017 0.000 0.292 189 V C 0.203 176.392 176.094 0.158 0.000 1.021 189 V CA -0.865 61.476 62.300 0.069 0.000 0.850 189 V CB 1.212 33.051 31.823 0.028 0.000 1.005 189 V HN 0.923 nan 8.190 nan 0.000 0.426 190 G N 2.582 111.461 108.800 0.131 0.000 2.568 190 G HA2 0.906 4.876 3.960 0.017 0.000 0.313 190 G HA3 0.906 4.876 3.960 0.017 0.000 0.313 190 G C -0.571 174.410 174.900 0.135 0.000 1.227 190 G CA -0.155 45.013 45.100 0.114 0.000 0.979 190 G HN 1.181 nan 8.290 nan 0.000 0.486 191 S N -1.385 114.356 115.700 0.069 0.000 2.611 191 S HA 0.440 4.920 4.470 0.017 0.000 0.268 191 S C -1.255 173.360 174.600 0.025 0.000 1.156 191 S CA -0.731 57.531 58.200 0.104 0.000 0.817 191 S CB 2.029 65.398 63.200 0.283 0.000 1.122 191 S HN 0.311 nan 8.310 nan 0.000 0.466 192 D N 0.800 121.224 120.400 0.039 0.000 2.463 192 D HA 0.349 4.999 4.640 0.017 0.000 0.224 192 D C 0.136 176.456 176.300 0.033 0.000 1.174 192 D CA 0.017 54.028 54.000 0.018 0.000 0.829 192 D CB 0.046 40.854 40.800 0.013 0.000 0.993 192 D HN 0.433 nan 8.370 nan 0.000 0.497 193 L N 1.091 122.356 121.223 0.069 0.000 2.439 193 L HA 0.215 4.565 4.340 0.017 0.000 0.261 193 L C 0.983 177.898 176.870 0.075 0.000 1.153 193 L CA -0.850 54.041 54.840 0.084 0.000 0.808 193 L CB 0.481 42.621 42.059 0.135 0.000 1.126 193 L HN -0.014 nan 8.230 nan 0.000 0.460 194 E N 1.608 121.847 120.200 0.066 0.000 2.384 194 E HA 0.003 4.363 4.350 0.017 0.000 0.266 194 E C 1.214 177.869 176.600 0.092 0.000 1.012 194 E CA -0.559 55.875 56.400 0.057 0.000 0.901 194 E CB 0.558 30.285 29.700 0.044 0.000 0.967 194 E HN 0.516 nan 8.360 nan 0.000 0.435 195 I N 1.738 122.355 120.570 0.078 0.000 2.210 195 I HA -0.357 3.823 4.170 0.017 0.000 0.249 195 I C 1.664 177.862 176.117 0.136 0.000 1.047 195 I CA 2.427 63.792 61.300 0.109 0.000 1.323 195 I CB -2.363 35.678 38.000 0.069 0.000 1.017 195 I HN 0.735 nan 8.210 nan 0.000 0.427 196 G N 0.329 109.182 108.800 0.088 0.000 2.464 196 G HA2 -0.317 3.653 3.960 0.017 0.000 0.214 196 G HA3 -0.317 3.653 3.960 0.017 0.000 0.214 196 G C 1.526 176.466 174.900 0.067 0.000 1.218 196 G CA 1.104 46.244 45.100 0.067 0.000 0.794 196 G HN 0.492 nan 8.290 nan 0.000 0.542 197 Q N -0.119 119.720 119.800 0.066 0.000 2.181 197 Q HA -0.153 4.197 4.340 0.017 0.000 0.205 197 Q C 2.116 178.156 176.000 0.067 0.000 0.980 197 Q CA 2.162 57.997 55.803 0.053 0.000 0.862 197 Q CB -0.608 28.159 28.738 0.048 0.000 0.905 197 Q HN 0.757 nan 8.270 nan 0.000 0.429 198 H N -0.156 118.935 119.070 0.035 0.000 2.267 198 H HA -0.095 4.472 4.556 0.017 0.000 0.297 198 H C 1.986 177.344 175.328 0.051 0.000 1.080 198 H CA 2.374 58.449 56.048 0.046 0.000 1.278 198 H CB -0.170 29.621 29.762 0.048 0.000 1.365 198 H HN 0.261 nan 8.280 nan 0.000 0.489 199 R N -0.353 120.147 120.500 -0.001 0.000 2.170 199 R HA -0.136 4.214 4.340 0.017 0.000 0.242 199 R C 1.793 178.053 176.300 -0.067 0.000 1.145 199 R CA 1.880 57.952 56.100 -0.047 0.000 0.984 199 R CB -0.326 30.001 30.300 0.046 0.000 0.869 199 R HN 0.404 nan 8.270 nan 0.000 0.455 200 T N 1.106 115.639 114.554 -0.036 0.000 2.639 200 T HA -0.085 4.275 4.350 0.017 0.000 0.261 200 T C 1.552 176.241 174.700 -0.018 0.000 1.053 200 T CA 1.238 63.330 62.100 -0.015 0.000 1.158 200 T CB -0.090 68.779 68.868 0.002 0.000 0.863 200 T HN 0.188 nan 8.240 nan 0.000 0.413 201 K N 1.158 121.540 120.400 -0.030 0.000 2.089 201 K HA -0.073 4.257 4.320 0.017 0.000 0.210 201 K C 2.210 178.848 176.600 0.063 0.000 1.048 201 K CA 1.011 57.316 56.287 0.030 0.000 0.926 201 K CB -0.837 31.678 32.500 0.025 0.000 0.714 201 K HN 0.330 nan 8.250 nan 0.000 0.448 202 I N 1.809 122.319 120.570 -0.099 0.000 2.248 202 I HA -0.252 3.928 4.170 0.017 0.000 0.248 202 I C 2.046 178.148 176.117 -0.026 0.000 1.107 202 I CA 1.488 62.728 61.300 -0.099 0.000 1.373 202 I CB -0.815 37.081 38.000 -0.174 0.000 1.055 202 I HN 0.232 nan 8.210 nan 0.000 0.418 203 E N 0.670 120.869 120.200 -0.001 0.000 2.112 203 E HA -0.142 4.218 4.350 0.017 0.000 0.190 203 E C 1.986 178.637 176.600 0.086 0.000 0.979 203 E CA 0.572 56.986 56.400 0.025 0.000 0.814 203 E CB -0.211 29.501 29.700 0.020 0.000 0.762 203 E HN 0.559 nan 8.360 nan 0.000 0.460 204 E N 1.040 121.318 120.200 0.130 0.000 2.130 204 E HA -0.179 4.181 4.350 0.017 0.000 0.196 204 E C 2.180 179.033 176.600 0.421 0.000 0.998 204 E CA 0.631 57.167 56.400 0.228 0.000 0.806 204 E CB -0.077 29.737 29.700 0.190 0.000 0.738 204 E HN 0.180 nan 8.360 nan 0.000 0.459 205 L N 0.716 122.131 121.223 0.321 0.000 1.993 205 L HA -0.133 4.217 4.340 0.017 0.000 0.206 205 L C 2.429 179.294 176.870 -0.007 0.000 1.074 205 L CA 1.238 56.048 54.840 -0.050 0.000 0.746 205 L CB -0.219 41.613 42.059 -0.379 0.000 0.896 205 L HN 0.049 nan 8.230 nan 0.000 0.435 206 R N -0.560 119.927 120.500 -0.021 0.000 2.204 206 R HA -0.240 4.110 4.340 0.017 0.000 0.253 206 R C 2.185 178.515 176.300 0.051 0.000 1.172 206 R CA 1.362 57.448 56.100 -0.024 0.000 0.994 206 R CB -0.178 30.091 30.300 -0.051 0.000 0.874 206 R HN 0.518 nan 8.270 nan 0.000 0.462 207 Q N -0.512 119.355 119.800 0.111 0.000 2.020 207 Q HA -0.149 4.201 4.340 0.017 0.000 0.198 207 Q C 1.927 178.043 176.000 0.194 0.000 0.974 207 Q CA 1.559 57.443 55.803 0.136 0.000 0.829 207 Q CB -0.557 28.267 28.738 0.144 0.000 0.894 207 Q HN 0.470 nan 8.270 nan 0.000 0.433 208 H N 0.504 119.685 119.070 0.185 0.000 2.394 208 H HA -0.095 4.471 4.556 0.017 0.000 0.297 208 H C 1.890 177.447 175.328 0.381 0.000 1.113 208 H CA 1.709 57.932 56.048 0.291 0.000 1.277 208 H CB -0.102 29.879 29.762 0.365 0.000 1.370 208 H HN 0.102 nan 8.280 nan 0.000 0.506 209 L N -0.928 120.473 121.223 0.297 0.000 2.313 209 L HA -0.071 4.279 4.340 0.017 0.000 0.214 209 L C 2.036 179.060 176.870 0.256 0.000 1.119 209 L CA 0.168 55.159 54.840 0.252 0.000 0.809 209 L CB -0.123 41.983 42.059 0.079 0.000 0.933 209 L HN 0.260 nan 8.230 nan 0.000 0.449 210 L N -0.132 121.191 121.223 0.167 0.000 2.179 210 L HA -0.035 4.315 4.340 0.017 0.000 0.208 210 L C 2.549 179.456 176.870 0.061 0.000 1.096 210 L CA 1.402 56.312 54.840 0.117 0.000 0.779 210 L CB -0.445 41.666 42.059 0.086 0.000 0.922 210 L HN 0.083 nan 8.230 nan 0.000 0.443 211 R N -1.697 118.782 120.500 -0.035 0.000 2.303 211 R HA -0.178 4.172 4.340 0.017 0.000 0.225 211 R C 0.396 176.438 176.300 -0.430 0.000 1.114 211 R CA 1.413 57.326 56.100 -0.311 0.000 1.007 211 R CB -0.293 29.678 30.300 -0.549 0.000 0.861 211 R HN 0.417 nan 8.270 nan 0.000 0.471 212 W N -0.311 120.966 121.300 -0.038 0.000 2.693 212 W HA 0.364 5.035 4.660 0.017 0.000 0.415 212 W C 0.644 177.167 176.519 0.007 0.000 0.932 212 W CA -0.290 57.042 57.345 -0.022 0.000 2.200 212 W CB 0.091 29.530 29.460 -0.035 0.000 1.188 212 W HN 0.014 nan 8.180 nan 0.000 0.665 213 G N 1.872 110.778 108.800 0.178 0.000 2.366 213 G HA2 -0.308 3.662 3.960 0.017 0.000 0.299 213 G HA3 -0.308 3.662 3.960 0.017 0.000 0.299 213 G C -0.392 174.606 174.900 0.164 0.000 1.020 213 G CA -0.072 45.117 45.100 0.147 0.000 1.026 213 G HN 0.346 nan 8.290 nan 0.000 0.512 214 L N 0.241 121.566 121.223 0.170 0.000 2.295 214 L HA 0.399 4.749 4.340 0.017 0.000 0.281 214 L C 0.317 177.255 176.870 0.113 0.000 1.018 214 L CA -1.307 53.611 54.840 0.130 0.000 0.841 214 L CB 1.069 43.191 42.059 0.104 0.000 1.218 214 L HN 0.311 nan 8.230 nan 0.000 0.424 215 Y N 3.801 124.131 120.300 0.050 0.000 2.402 215 Y HA 0.295 4.855 4.550 0.017 0.000 0.333 215 Y C 0.347 176.270 175.900 0.038 0.000 1.076 215 Y CA -0.311 57.816 58.100 0.047 0.000 1.299 215 Y CB 0.838 39.326 38.460 0.047 0.000 1.197 215 Y HN 0.553 nan 8.280 nan 0.000 0.517 216 T N 6.997 120.971 114.554 -0.967 0.000 2.861 216 T HA 0.498 4.858 4.350 0.017 0.000 0.287 216 T C -2.992 171.093 174.700 -1.025 0.000 1.003 216 T CA -2.257 59.428 62.100 -0.692 0.000 0.977 216 T CB 1.856 70.526 68.868 -0.329 0.000 0.996 216 T HN 0.422 nan 8.240 nan 0.000 0.448 217 P HA 0.188 nan 4.420 nan 0.000 0.272 217 P C -0.671 176.590 177.300 -0.066 0.000 1.230 217 P CA -0.231 62.800 63.100 -0.114 0.000 0.788 217 P CB 0.665 32.447 31.700 0.137 0.000 0.949 218 D N 1.110 121.540 120.400 0.050 0.000 2.354 218 D HA 0.059 4.709 4.640 0.017 0.000 0.247 218 D C 1.055 177.328 176.300 -0.044 0.000 1.138 218 D CA -0.541 53.452 54.000 -0.012 0.000 0.958 218 D CB 0.846 41.642 40.800 -0.007 0.000 1.144 218 D HN 0.108 nan 8.370 nan 0.000 0.458 219 K N 0.509 120.882 120.400 -0.045 0.000 2.127 219 K HA -0.220 4.110 4.320 0.017 0.000 0.208 219 K C 1.642 178.203 176.600 -0.066 0.000 1.047 219 K CA 1.524 57.793 56.287 -0.030 0.000 0.927 219 K CB -0.128 32.364 32.500 -0.012 0.000 0.716 219 K HN 0.237 nan 8.250 nan 0.000 0.450 220 K N -0.130 120.160 120.400 -0.183 0.000 2.044 220 K HA -0.183 4.147 4.320 0.017 0.000 0.210 220 K C 2.135 178.633 176.600 -0.170 0.000 1.049 220 K CA 2.222 58.352 56.287 -0.262 0.000 0.927 220 K CB -0.467 31.717 32.500 -0.527 0.000 0.713 220 K HN 0.616 nan 8.250 nan 0.000 0.443 221 H N -0.207 118.899 119.070 0.060 0.000 2.582 221 H HA 0.118 4.684 4.556 0.017 0.000 0.269 221 H C 0.431 175.798 175.328 0.065 0.000 0.962 221 H CA -0.467 55.620 56.048 0.065 0.000 1.230 221 H CB 0.296 30.106 29.762 0.081 0.000 1.445 221 H HN 0.184 nan 8.280 nan 0.000 0.528 222 Q N 1.878 121.760 119.800 0.137 0.000 2.450 222 Q HA -0.015 4.336 4.340 0.017 0.000 0.294 222 Q C -0.206 175.872 176.000 0.130 0.000 1.129 222 Q CA 0.647 56.516 55.803 0.109 0.000 0.970 222 Q CB 0.689 29.473 28.738 0.075 0.000 1.294 222 Q HN 0.337 nan 8.270 nan 0.000 0.453 223 K N 1.763 122.258 120.400 0.158 0.000 2.144 223 K HA 0.192 4.522 4.320 0.017 0.000 0.270 223 K C -0.293 176.427 176.600 0.201 0.000 1.005 223 K CA -0.427 55.974 56.287 0.190 0.000 0.932 223 K CB 0.806 33.454 32.500 0.247 0.000 1.021 223 K HN 0.391 nan 8.250 nan 0.000 0.462 224 E N 2.256 122.485 120.200 0.048 0.000 2.222 224 E HA 0.304 4.664 4.350 0.017 0.000 0.272 224 E C -2.332 173.994 176.600 -0.457 0.000 0.982 224 E CA -2.137 54.191 56.400 -0.119 0.000 0.842 224 E CB 1.279 30.947 29.700 -0.053 0.000 1.144 224 E HN 0.329 nan 8.360 nan 0.000 0.397 225 P HA 0.077 nan 4.420 nan 0.000 0.270 225 P C -2.167 174.888 177.300 -0.409 0.000 1.223 225 P CA -0.661 61.895 63.100 -0.906 0.000 0.785 225 P CB -0.199 31.180 31.700 -0.535 0.000 0.923 226 P HA 0.167 nan 4.420 nan 0.000 0.273 226 P C -1.106 175.945 177.300 -0.414 0.000 1.250 226 P CA 0.113 62.835 63.100 -0.631 0.000 0.793 226 P CB 0.434 31.657 31.700 -0.796 0.000 1.011 227 F N -0.111 119.854 119.950 0.025 0.000 2.402 227 F HA 0.339 4.876 4.527 0.017 0.000 0.355 227 F C 0.496 176.446 175.800 0.250 0.000 1.123 227 F CA -0.627 57.477 58.000 0.173 0.000 1.021 227 F CB 0.873 40.028 39.000 0.258 0.000 1.160 227 F HN 0.001 nan 8.300 nan 0.000 0.451 228 L N 4.026 125.508 121.223 0.432 0.000 2.334 228 L HA 0.156 4.506 4.340 0.017 0.000 0.286 228 L C -0.960 176.178 176.870 0.446 0.000 1.108 228 L CA -0.165 54.896 54.840 0.368 0.000 0.875 228 L CB 0.089 42.295 42.059 0.244 0.000 1.246 228 L HN 0.616 nan 8.230 nan 0.000 0.439 229 W N 6.005 127.467 121.300 0.271 0.000 2.587 229 W HA 0.414 5.084 4.660 0.016 0.000 0.324 229 W C 0.175 176.819 176.519 0.208 0.000 1.040 229 W CA -1.127 56.338 57.345 0.200 0.000 1.222 229 W CB 1.110 30.623 29.460 0.088 0.000 1.381 229 W HN 0.278 nan 8.180 nan 0.000 0.483 230 M N 6.107 125.376 119.600 -0.551 0.000 2.107 230 M HA -0.230 4.260 4.480 0.017 0.000 0.190 230 M C 1.084 177.095 176.300 -0.481 0.000 0.436 230 M CA 1.911 56.814 55.300 -0.662 0.000 0.393 230 M CB -2.141 29.730 32.600 -1.215 0.000 1.003 230 M HN 1.265 nan 8.290 nan 0.000 0.939 231 G N -0.530 108.089 108.800 -0.302 0.000 2.160 231 G HA2 -0.285 3.685 3.960 0.017 0.000 0.244 231 G HA3 -0.285 3.685 3.960 0.017 0.000 0.244 231 G C -0.401 174.497 174.900 -0.002 0.000 1.022 231 G CA 0.480 45.390 45.100 -0.317 0.000 0.741 231 G HN 0.668 nan 8.290 nan 0.000 0.508 232 Y N -1.192 119.285 120.300 0.294 0.000 2.634 232 Y HA 0.684 5.244 4.550 0.016 0.000 0.340 232 Y C 0.319 176.418 175.900 0.332 0.000 1.058 232 Y CA -1.101 57.233 58.100 0.390 0.000 1.081 232 Y CB 1.805 40.503 38.460 0.396 0.000 1.295 232 Y HN 0.067 nan 8.280 nan 0.000 0.487 233 E N 1.997 122.516 120.200 0.532 0.000 2.331 233 E HA 0.411 4.771 4.350 0.017 0.000 0.243 233 E C -1.996 174.832 176.600 0.381 0.000 0.925 233 E CA -0.321 56.298 56.400 0.364 0.000 0.760 233 E CB 0.605 30.475 29.700 0.285 0.000 1.254 233 E HN 0.486 nan 8.360 nan 0.000 0.419 234 L N 5.231 126.673 121.223 0.364 0.000 2.255 234 L HA 0.414 4.764 4.340 0.017 0.000 0.289 234 L C 0.556 177.590 176.870 0.274 0.000 1.046 234 L CA -0.618 54.467 54.840 0.409 0.000 0.816 234 L CB 0.549 42.867 42.059 0.433 0.000 1.197 234 L HN 0.493 nan 8.230 nan 0.000 0.427 235 H N 3.704 123.030 119.070 0.427 0.000 2.748 235 H HA 0.355 4.921 4.556 0.017 0.000 0.288 235 H C -1.712 173.859 175.328 0.406 0.000 1.539 235 H CA -1.661 54.578 56.048 0.318 0.000 1.577 235 H CB 1.109 31.018 29.762 0.245 0.000 1.721 235 H HN 0.295 nan 8.280 nan 0.000 0.869 236 P HA 0.065 nan 4.420 nan 0.000 0.275 236 P C 0.100 177.614 177.300 0.357 0.000 1.310 236 P CA 0.478 63.746 63.100 0.280 0.000 0.904 236 P CB 0.496 32.289 31.700 0.154 0.000 1.381 237 D N -1.212 119.498 120.400 0.516 0.000 2.486 237 D HA 0.049 4.699 4.640 0.017 0.000 0.243 237 D C 0.398 176.901 176.300 0.339 0.000 1.146 237 D CA 0.274 54.535 54.000 0.435 0.000 0.821 237 D CB 0.274 41.193 40.800 0.197 0.000 1.201 237 D HN 0.171 nan 8.370 nan 0.000 0.525 238 K N -0.636 119.938 120.400 0.289 0.000 2.533 238 K HA 0.557 4.887 4.320 0.017 0.000 0.272 238 K C -1.408 175.273 176.600 0.135 0.000 0.985 238 K CA -1.030 55.266 56.287 0.015 0.000 0.876 238 K CB 2.256 34.770 32.500 0.023 0.000 1.452 238 K HN 0.142 nan 8.250 nan 0.000 0.439 239 W N 0.768 121.970 121.300 -0.164 0.000 3.167 239 W HA 0.666 5.336 4.660 0.017 0.000 0.324 239 W C -1.939 174.497 176.519 -0.138 0.000 1.230 239 W CA -0.763 56.542 57.345 -0.067 0.000 1.184 239 W CB 1.491 30.799 29.460 -0.253 0.000 1.414 239 W HN 0.844 nan 8.180 nan 0.000 0.551 240 T N 0.571 115.011 114.554 -0.190 0.000 2.648 240 T HA 0.568 4.928 4.350 0.017 0.000 0.304 240 T C -1.288 173.499 174.700 0.144 0.000 1.312 240 T CA -0.107 61.637 62.100 -0.593 0.000 1.023 240 T CB 0.997 69.259 68.868 -1.011 0.000 1.612 240 T HN 0.964 nan 8.240 nan 0.000 0.487 241 V N 1.574 121.565 119.914 0.128 0.000 2.547 241 V HA 0.637 4.767 4.120 0.017 0.000 0.299 241 V C 0.214 176.488 176.094 0.300 0.000 1.040 241 V CA -1.014 61.541 62.300 0.424 0.000 0.913 241 V CB 1.254 33.350 31.823 0.456 0.000 0.992 241 V HN 0.985 nan 8.190 nan 0.000 0.449 242 Q N 2.416 122.393 119.800 0.296 0.000 2.339 242 Q HA 0.151 4.501 4.340 0.017 0.000 0.308 242 Q C -2.228 173.875 176.000 0.172 0.000 1.097 242 Q CA -0.959 54.964 55.803 0.200 0.000 1.007 242 Q CB -0.920 27.905 28.738 0.145 0.000 1.051 242 Q HN 0.623 nan 8.270 nan 0.000 0.381 243 P HA -0.134 nan 4.420 nan 0.000 0.268 243 P C -0.625 176.724 177.300 0.082 0.000 1.171 243 P CA 0.493 63.669 63.100 0.128 0.000 0.761 243 P CB 0.355 32.129 31.700 0.124 0.000 0.786 244 I N 2.841 123.436 120.570 0.042 0.000 2.545 244 I HA 0.385 4.565 4.170 0.017 0.000 0.292 244 I C -1.314 174.800 176.117 -0.005 0.000 1.040 244 I CA -0.975 60.335 61.300 0.016 0.000 1.068 244 I CB 2.231 40.239 38.000 0.015 0.000 1.251 244 I HN 0.036 nan 8.210 nan 0.000 0.424 245 V N 8.503 128.421 119.914 0.007 0.000 2.350 245 V HA 0.387 4.517 4.120 0.017 0.000 0.276 245 V C -0.321 175.786 176.094 0.023 0.000 1.028 245 V CA -0.601 61.705 62.300 0.011 0.000 0.860 245 V CB 1.313 33.144 31.823 0.014 0.000 0.990 245 V HN 0.607 nan 8.190 nan 0.000 0.453 246 L N 9.278 130.517 121.223 0.027 0.000 2.315 246 L HA 0.398 4.748 4.340 0.017 0.000 0.283 246 L C -1.791 175.140 176.870 0.101 0.000 1.089 246 L CA -1.479 53.401 54.840 0.067 0.000 0.833 246 L CB 1.238 43.325 42.059 0.047 0.000 1.170 246 L HN 0.539 nan 8.230 nan 0.000 0.442 247 P HA -0.057 nan 4.420 nan 0.000 0.270 247 P C -0.147 177.243 177.300 0.151 0.000 1.221 247 P CA 0.044 63.203 63.100 0.098 0.000 0.788 247 P CB 0.585 32.306 31.700 0.035 0.000 0.904 248 E N 0.291 120.517 120.200 0.043 0.000 2.989 248 E HA 0.094 4.454 4.350 0.017 0.000 0.207 248 E C -0.399 176.196 176.600 -0.008 0.000 0.989 248 E CA -0.210 56.236 56.400 0.077 0.000 1.186 248 E CB -0.327 29.397 29.700 0.041 0.000 1.141 248 E HN 0.209 nan 8.360 nan 0.000 0.454 249 K N 0.215 120.493 120.400 -0.202 0.000 2.188 249 K HA 0.053 4.383 4.320 0.017 0.000 0.246 249 K C 0.181 176.669 176.600 -0.187 0.000 1.026 249 K CA 0.662 56.696 56.287 -0.422 0.000 0.871 249 K CB 0.428 32.277 32.500 -1.085 0.000 1.042 249 K HN 0.120 nan 8.250 nan 0.000 0.509 250 D N -1.689 118.595 120.400 -0.194 0.000 2.498 250 D HA -0.007 4.643 4.640 0.017 0.000 0.223 250 D C 0.034 176.342 176.300 0.012 0.000 1.125 250 D CA -0.086 53.917 54.000 0.005 0.000 0.835 250 D CB 0.456 41.258 40.800 0.003 0.000 1.086 250 D HN 0.192 nan 8.370 nan 0.000 0.510 251 S N -0.140 115.451 115.700 -0.183 0.000 2.596 251 S HA 0.538 5.018 4.470 0.017 0.000 0.318 251 S C -1.837 172.626 174.600 -0.227 0.000 1.097 251 S CA -0.731 57.415 58.200 -0.091 0.000 1.080 251 S CB 0.312 63.457 63.200 -0.091 0.000 0.991 251 S HN 0.164 nan 8.310 nan 0.000 0.471 252 W N 2.788 124.083 121.300 -0.008 0.000 2.475 252 W HA 0.444 5.116 4.660 0.019 0.000 0.317 252 W C 0.557 177.071 176.519 -0.009 0.000 1.046 252 W CA -0.551 56.789 57.345 -0.009 0.000 1.215 252 W CB 1.667 31.122 29.460 -0.009 0.000 1.335 252 W HN 0.407 nan 8.180 nan 0.000 0.471 253 T N 1.831 116.498 114.554 0.189 0.000 2.913 253 T HA 0.097 4.457 4.350 0.017 0.000 0.287 253 T C 1.237 176.013 174.700 0.128 0.000 1.008 253 T CA -0.468 61.700 62.100 0.113 0.000 1.067 253 T CB 1.517 70.414 68.868 0.049 0.000 0.996 253 T HN 0.289 nan 8.240 nan 0.000 0.513 254 V N 3.554 123.517 119.914 0.081 0.000 2.317 254 V HA -0.212 3.918 4.120 0.017 0.000 0.251 254 V C 2.624 178.756 176.094 0.062 0.000 1.065 254 V CA 1.907 64.244 62.300 0.062 0.000 1.049 254 V CB -0.555 31.291 31.823 0.038 0.000 0.651 254 V HN 0.823 nan 8.190 nan 0.000 0.450 255 N N -0.238 118.495 118.700 0.056 0.000 2.142 255 N HA -0.186 4.564 4.740 0.017 0.000 0.186 255 N C 1.607 177.161 175.510 0.073 0.000 1.023 255 N CA 1.609 54.687 53.050 0.047 0.000 0.852 255 N CB -0.154 38.350 38.487 0.028 0.000 0.998 255 N HN 0.497 nan 8.380 nan 0.000 0.424 256 D N 1.100 121.567 120.400 0.111 0.000 2.116 256 D HA -0.156 4.494 4.640 0.017 0.000 0.193 256 D C 2.086 178.523 176.300 0.229 0.000 0.998 256 D CA 0.911 55.022 54.000 0.185 0.000 0.836 256 D CB -0.188 40.774 40.800 0.270 0.000 0.951 256 D HN 0.415 nan 8.370 nan 0.000 0.449 257 I N 0.988 121.673 120.570 0.191 0.000 2.226 257 I HA -0.270 3.910 4.170 0.017 0.000 0.245 257 I C 2.616 178.759 176.117 0.043 0.000 1.100 257 I CA 0.962 62.312 61.300 0.084 0.000 1.374 257 I CB -0.321 37.696 38.000 0.028 0.000 1.057 257 I HN -0.005 nan 8.210 nan 0.000 0.413 258 Q N 0.963 120.790 119.800 0.044 0.000 2.030 258 Q HA -0.249 4.102 4.340 0.017 0.000 0.204 258 Q C 2.291 178.307 176.000 0.026 0.000 0.986 258 Q CA 1.626 57.444 55.803 0.025 0.000 0.843 258 Q CB -0.201 28.549 28.738 0.021 0.000 0.904 258 Q HN 0.472 nan 8.270 nan 0.000 0.420 259 K N 0.381 120.805 120.400 0.039 0.000 2.032 259 K HA -0.197 4.133 4.320 0.017 0.000 0.209 259 K C 2.158 178.782 176.600 0.039 0.000 1.048 259 K CA 1.123 57.429 56.287 0.032 0.000 0.927 259 K CB -0.321 32.202 32.500 0.037 0.000 0.712 259 K HN 0.067 nan 8.250 nan 0.000 0.441 260 L N 1.216 122.479 121.223 0.068 0.000 1.971 260 L HA -0.220 4.130 4.340 0.017 0.000 0.215 260 L C 2.130 179.010 176.870 0.017 0.000 1.072 260 L CA 1.586 56.459 54.840 0.055 0.000 0.758 260 L CB -0.684 41.404 42.059 0.049 0.000 0.889 260 L HN -0.064 nan 8.230 nan 0.000 0.433 261 V N 0.460 120.374 119.914 0.000 0.000 2.250 261 V HA -0.367 3.764 4.120 0.017 0.000 0.253 261 V C 2.595 178.702 176.094 0.020 0.000 1.065 261 V CA 2.146 64.445 62.300 -0.003 0.000 1.039 261 V CB -1.783 30.035 31.823 -0.008 0.000 0.647 261 V HN 0.728 nan 8.190 nan 0.000 0.446 262 G N -0.665 108.148 108.800 0.022 0.000 2.672 262 G HA2 -0.361 3.609 3.960 0.017 0.000 0.218 262 G HA3 -0.361 3.609 3.960 0.017 0.000 0.218 262 G C 1.594 176.527 174.900 0.053 0.000 1.238 262 G CA 1.414 46.531 45.100 0.029 0.000 0.791 262 G HN 0.473 nan 8.290 nan 0.000 0.606 263 K N -0.657 119.764 120.400 0.034 0.000 2.034 263 K HA -0.138 4.193 4.320 0.017 0.000 0.214 263 K C 2.519 179.186 176.600 0.112 0.000 1.051 263 K CA 1.313 57.633 56.287 0.055 0.000 0.931 263 K CB -0.427 32.088 32.500 0.026 0.000 0.715 263 K HN 0.161 nan 8.250 nan 0.000 0.446 264 L N 1.824 123.086 121.223 0.064 0.000 2.051 264 L HA -0.257 4.093 4.340 0.017 0.000 0.214 264 L C 1.748 178.670 176.870 0.086 0.000 1.076 264 L CA 1.731 56.599 54.840 0.048 0.000 0.758 264 L CB -1.214 40.850 42.059 0.009 0.000 0.890 264 L HN 0.212 nan 8.230 nan 0.000 0.433 265 N N -1.210 117.552 118.700 0.103 0.000 2.000 265 N HA -0.292 4.458 4.740 0.017 0.000 0.198 265 N C 1.632 177.250 175.510 0.180 0.000 1.057 265 N CA 1.756 54.879 53.050 0.121 0.000 0.858 265 N CB -0.666 37.895 38.487 0.123 0.000 1.057 265 N HN 0.499 nan 8.380 nan 0.000 0.423 266 W N 1.765 123.073 121.300 0.013 0.000 2.256 266 W HA -0.364 4.307 4.660 0.018 0.000 0.311 266 W C 1.860 178.420 176.519 0.068 0.000 1.258 266 W CA 2.017 59.373 57.345 0.019 0.000 1.269 266 W CB -0.402 29.041 29.460 -0.029 0.000 1.134 266 W HN 0.157 nan 8.180 nan 0.000 0.518 267 A N 0.483 123.386 122.820 0.138 0.000 1.877 267 A HA -0.223 4.107 4.320 0.017 0.000 0.216 267 A C 2.007 179.621 177.584 0.050 0.000 1.186 267 A CA 2.344 54.435 52.037 0.089 0.000 0.620 267 A CB -1.328 17.722 19.000 0.083 0.000 0.822 267 A HN 0.308 nan 8.150 nan 0.000 0.443 268 S N 0.525 116.245 115.700 0.033 0.000 2.428 268 S HA -0.305 4.175 4.470 0.017 0.000 0.240 268 S C 1.950 176.520 174.600 -0.049 0.000 1.036 268 S CA 1.726 59.929 58.200 0.004 0.000 1.009 268 S CB -0.572 62.636 63.200 0.014 0.000 0.803 268 S HN 0.895 nan 8.310 nan 0.000 0.486 269 Q N -0.246 119.514 119.800 -0.066 0.000 2.500 269 Q HA 0.070 4.420 4.340 0.017 0.000 0.213 269 Q C 1.630 177.635 176.000 0.009 0.000 0.974 269 Q CA 1.018 56.812 55.803 -0.013 0.000 0.918 269 Q CB -0.092 28.673 28.738 0.045 0.000 0.980 269 Q HN 0.579 nan 8.270 nan 0.000 0.505 270 I N -1.697 118.817 120.570 -0.094 0.000 4.317 270 I HA 0.169 4.349 4.170 0.017 0.000 0.289 270 I C -0.625 175.331 176.117 -0.268 0.000 1.164 270 I CA -0.454 60.700 61.300 -0.245 0.000 1.312 270 I CB 0.787 38.456 38.000 -0.552 0.000 1.569 270 I HN -0.018 nan 8.210 nan 0.000 0.450 271 Y N 4.332 124.545 120.300 -0.145 0.000 2.531 271 Y HA 0.351 4.910 4.550 0.015 0.000 0.347 271 Y C -2.112 173.740 175.900 -0.081 0.000 1.024 271 Y CA -2.190 55.850 58.100 -0.101 0.000 1.306 271 Y CB -0.203 38.212 38.460 -0.076 0.000 1.149 271 Y HN 0.096 nan 8.280 nan 0.000 0.527 272 P HA 0.268 nan 4.420 nan 0.000 0.279 272 P C 0.697 178.022 177.300 0.040 0.000 1.239 272 P CA 0.233 63.338 63.100 0.009 0.000 0.789 272 P CB 1.364 33.055 31.700 -0.014 0.000 0.933 273 G N 2.222 111.035 108.800 0.021 0.000 2.194 273 G HA2 -0.181 3.789 3.960 0.017 0.000 0.236 273 G HA3 -0.181 3.789 3.960 0.017 0.000 0.236 273 G C 0.095 175.003 174.900 0.012 0.000 0.987 273 G CA -0.556 44.554 45.100 0.018 0.000 0.635 273 G HN 0.457 nan 8.290 nan 0.000 0.520 274 I N 1.592 122.174 120.570 0.019 0.000 2.598 274 I HA 0.278 4.459 4.170 0.017 0.000 0.284 274 I C 0.691 176.807 176.117 -0.002 0.000 1.140 274 I CA 0.732 62.035 61.300 0.004 0.000 1.420 274 I CB 0.621 38.629 38.000 0.012 0.000 1.387 274 I HN 0.142 nan 8.210 nan 0.000 0.553 275 K N 4.825 125.215 120.400 -0.016 0.000 2.375 275 K HA 0.588 4.918 4.320 0.017 0.000 0.249 275 K C 0.205 176.787 176.600 -0.030 0.000 0.942 275 K CA -0.557 55.718 56.287 -0.020 0.000 0.806 275 K CB 2.873 35.357 32.500 -0.026 0.000 1.227 275 K HN 0.427 nan 8.250 nan 0.000 0.430 276 V N -1.435 118.461 119.914 -0.029 0.000 3.432 276 V HA 0.171 4.301 4.120 0.017 0.000 0.290 276 V C 1.555 177.623 176.094 -0.043 0.000 1.591 276 V CA -0.230 62.045 62.300 -0.041 0.000 1.069 276 V CB 0.235 32.040 31.823 -0.029 0.000 0.892 276 V HN 0.778 nan 8.190 nan 0.000 0.436 277 R N 0.981 121.460 120.500 -0.036 0.000 2.112 277 R HA -0.212 4.138 4.340 0.017 0.000 0.242 277 R C 2.314 178.587 176.300 -0.045 0.000 1.137 277 R CA 2.859 58.937 56.100 -0.036 0.000 0.944 277 R CB -0.188 30.091 30.300 -0.034 0.000 0.857 277 R HN 0.599 nan 8.270 nan 0.000 0.435 278 Q N 0.344 120.112 119.800 -0.054 0.000 2.124 278 Q HA -0.068 4.282 4.340 0.017 0.000 0.202 278 Q C 1.248 177.199 176.000 -0.082 0.000 0.977 278 Q CA 0.942 56.706 55.803 -0.063 0.000 0.850 278 Q CB -0.274 28.424 28.738 -0.067 0.000 0.901 278 Q HN 0.369 nan 8.270 nan 0.000 0.429 282 L N 2.102 123.298 121.223 -0.045 0.000 2.263 282 L HA -0.146 4.204 4.340 0.017 0.000 0.216 282 L C 1.819 178.677 176.870 -0.021 0.000 1.111 282 L CA 1.216 56.032 54.840 -0.040 0.000 0.773 282 L CB -0.370 41.651 42.059 -0.064 0.000 0.906 282 L HN 0.231 nan 8.230 nan 0.000 0.439 283 L N -0.994 120.217 121.223 -0.019 0.000 2.395 283 L HA -0.012 4.338 4.340 0.017 0.000 0.218 283 L C 1.086 177.953 176.870 -0.006 0.000 1.130 283 L CA -0.008 54.827 54.840 -0.008 0.000 0.826 283 L CB -0.402 41.652 42.059 -0.008 0.000 0.941 283 L HN 0.131 nan 8.230 nan 0.000 0.451 284 R N 1.028 121.523 120.500 -0.009 0.000 2.494 284 R HA 0.016 4.366 4.340 0.017 0.000 0.291 284 R C 1.358 177.656 176.300 -0.003 0.000 0.953 284 R CA 0.785 56.881 56.100 -0.007 0.000 1.098 284 R CB -0.241 30.053 30.300 -0.010 0.000 0.911 284 R HN 0.370 nan 8.270 nan 0.000 0.407 285 G N 2.074 110.873 108.800 -0.002 0.000 2.196 285 G HA2 -0.387 3.583 3.960 0.017 0.000 0.268 285 G HA3 -0.387 3.583 3.960 0.017 0.000 0.268 285 G C 0.413 175.315 174.900 0.003 0.000 0.975 285 G CA 0.849 45.949 45.100 0.000 0.000 0.648 285 G HN 0.801 nan 8.290 nan 0.000 0.538 286 T N -1.044 113.512 114.554 0.004 0.000 2.933 286 T HA 0.398 4.758 4.350 0.017 0.000 0.306 286 T C 1.151 175.856 174.700 0.007 0.000 1.045 286 T CA 0.923 63.028 62.100 0.008 0.000 1.143 286 T CB 1.173 70.047 68.868 0.010 0.000 1.003 286 T HN 0.734 nan 8.240 nan 0.000 0.540 287 K N 0.686 121.091 120.400 0.008 0.000 2.358 287 K HA 0.658 4.988 4.320 0.017 0.000 0.197 287 K C 0.279 176.884 176.600 0.007 0.000 1.025 287 K CA -0.048 56.243 56.287 0.007 0.000 1.104 287 K CB 0.459 32.963 32.500 0.006 0.000 0.855 287 K HN 0.869 nan 8.250 nan 0.000 0.531 288 A N 0.233 123.058 122.820 0.009 0.000 2.577 288 A HA 0.450 4.780 4.320 0.017 0.000 0.297 288 A C -0.332 177.259 177.584 0.012 0.000 1.060 288 A CA -0.742 51.300 52.037 0.009 0.000 0.697 288 A CB 0.565 19.570 19.000 0.007 0.000 1.281 288 A HN 0.025 nan 8.150 nan 0.000 0.402 289 L N 1.208 122.437 121.223 0.010 0.000 2.447 289 L HA -0.086 4.265 4.340 0.017 0.000 0.225 289 L C 2.205 179.085 176.870 0.016 0.000 1.148 289 L CA 2.741 57.589 54.840 0.013 0.000 0.808 289 L CB -0.485 41.579 42.059 0.008 0.000 0.928 289 L HN 0.909 nan 8.230 nan 0.000 0.448 290 T N -4.771 109.791 114.554 0.013 0.000 3.085 290 T HA 0.128 4.489 4.350 0.017 0.000 0.264 290 T C 0.619 175.329 174.700 0.017 0.000 1.019 290 T CA -0.450 61.658 62.100 0.012 0.000 0.910 290 T CB -0.089 68.781 68.868 0.004 0.000 1.059 290 T HN 0.263 nan 8.240 nan 0.000 0.542 291 E N 1.690 121.903 120.200 0.022 0.000 2.373 291 E HA 0.305 4.665 4.350 0.017 0.000 0.267 291 E C -0.911 175.713 176.600 0.039 0.000 1.032 291 E CA -0.404 56.011 56.400 0.025 0.000 0.889 291 E CB 0.821 30.534 29.700 0.022 0.000 0.984 291 E HN 0.082 nan 8.360 nan 0.000 0.425 292 V N 5.863 125.801 119.914 0.040 0.000 2.394 292 V HA 0.259 4.389 4.120 0.017 0.000 0.282 292 V C -0.166 175.968 176.094 0.067 0.000 1.031 292 V CA -0.586 61.751 62.300 0.062 0.000 0.881 292 V CB 0.990 32.843 31.823 0.050 0.000 0.982 292 V HN 0.540 nan 8.190 nan 0.000 0.451 293 I N 8.034 128.660 120.570 0.093 0.000 2.404 293 I HA 0.498 4.678 4.170 0.017 0.000 0.293 293 I C -1.995 174.175 176.117 0.089 0.000 0.992 293 I CA -2.154 59.188 61.300 0.070 0.000 1.149 293 I CB 1.923 39.950 38.000 0.045 0.000 1.315 293 I HN 0.475 nan 8.210 nan 0.000 0.446 294 P HA 0.275 nan 4.420 nan 0.000 0.282 294 P C -0.715 176.600 177.300 0.025 0.000 1.249 294 P CA -0.495 62.644 63.100 0.066 0.000 0.806 294 P CB 1.088 32.815 31.700 0.045 0.000 0.984 295 L N 1.805 123.038 121.223 0.016 0.000 2.417 295 L HA 0.215 4.565 4.340 0.017 0.000 0.268 295 L C 1.072 177.921 176.870 -0.035 0.000 1.158 295 L CA 0.093 54.900 54.840 -0.054 0.000 0.819 295 L CB 0.528 42.529 42.059 -0.097 0.000 1.112 295 L HN 0.427 nan 8.230 nan 0.000 0.458 296 T N 0.380 114.903 114.554 -0.053 0.000 2.881 296 T HA 0.074 4.434 4.350 0.017 0.000 0.278 296 T C 0.979 175.656 174.700 -0.039 0.000 0.982 296 T CA -0.612 61.465 62.100 -0.037 0.000 0.989 296 T CB 1.755 70.600 68.868 -0.040 0.000 1.058 296 T HN 0.610 nan 8.240 nan 0.000 0.529 297 E N 0.332 120.516 120.200 -0.027 0.000 2.058 297 E HA -0.193 4.167 4.350 0.017 0.000 0.194 297 E C 1.697 178.278 176.600 -0.033 0.000 0.997 297 E CA 1.501 57.886 56.400 -0.024 0.000 0.801 297 E CB 0.077 29.767 29.700 -0.017 0.000 0.746 297 E HN 0.607 nan 8.360 nan 0.000 0.450 298 E N 0.067 120.246 120.200 -0.036 0.000 2.106 298 E HA -0.131 4.229 4.350 0.017 0.000 0.192 298 E C 1.800 178.365 176.600 -0.058 0.000 0.984 298 E CA 1.128 57.504 56.400 -0.041 0.000 0.806 298 E CB -0.268 29.409 29.700 -0.038 0.000 0.750 298 E HN 0.362 nan 8.360 nan 0.000 0.458 299 A N 0.788 123.565 122.820 -0.072 0.000 1.877 299 A HA -0.244 4.086 4.320 0.017 0.000 0.216 299 A C 2.130 179.640 177.584 -0.123 0.000 1.186 299 A CA 1.813 53.785 52.037 -0.108 0.000 0.620 299 A CB -0.523 18.400 19.000 -0.129 0.000 0.822 299 A HN 0.205 nan 8.150 nan 0.000 0.443 300 E N -0.903 119.238 120.200 -0.099 0.000 2.150 300 E HA -0.086 4.275 4.350 0.017 0.000 0.193 300 E C 1.786 178.350 176.600 -0.061 0.000 0.985 300 E CA 0.569 56.918 56.400 -0.086 0.000 0.814 300 E CB -0.164 29.508 29.700 -0.047 0.000 0.752 300 E HN 0.446 nan 8.360 nan 0.000 0.466 301 L N 0.912 122.105 121.223 -0.050 0.000 2.017 301 L HA -0.187 4.163 4.340 0.017 0.000 0.208 301 L C 2.254 179.097 176.870 -0.044 0.000 1.073 301 L CA 1.856 56.674 54.840 -0.038 0.000 0.745 301 L CB -0.323 41.716 42.059 -0.033 0.000 0.894 301 L HN 0.179 nan 8.230 nan 0.000 0.432 302 E N -0.812 119.353 120.200 -0.059 0.000 2.028 302 E HA -0.263 4.097 4.350 0.017 0.000 0.191 302 E C 2.196 178.753 176.600 -0.072 0.000 0.988 302 E CA 1.263 57.625 56.400 -0.063 0.000 0.799 302 E CB -0.197 29.459 29.700 -0.073 0.000 0.755 302 E HN 0.303 nan 8.360 nan 0.000 0.447 303 L N 1.001 122.164 121.223 -0.099 0.000 2.043 303 L HA -0.179 4.171 4.340 0.017 0.000 0.212 303 L C 2.194 179.028 176.870 -0.060 0.000 1.075 303 L CA 2.421 57.196 54.840 -0.108 0.000 0.752 303 L CB -0.869 41.091 42.059 -0.166 0.000 0.891 303 L HN 0.177 nan 8.230 nan 0.000 0.432 304 A N -0.966 121.828 122.820 -0.043 0.000 1.873 304 A HA -0.248 4.082 4.320 0.017 0.000 0.215 304 A C 2.336 179.906 177.584 -0.023 0.000 1.186 304 A CA 1.637 53.661 52.037 -0.022 0.000 0.616 304 A CB -0.786 18.205 19.000 -0.014 0.000 0.823 304 A HN 0.616 nan 8.150 nan 0.000 0.442 305 E N -0.187 119.997 120.200 -0.028 0.000 2.118 305 E HA -0.220 4.141 4.350 0.017 0.000 0.195 305 E C 1.730 178.313 176.600 -0.028 0.000 0.992 305 E CA 1.287 57.673 56.400 -0.023 0.000 0.804 305 E CB -0.097 29.589 29.700 -0.024 0.000 0.741 305 E HN 0.586 nan 8.360 nan 0.000 0.458 306 N N 0.464 119.140 118.700 -0.041 0.000 2.135 306 N HA -0.141 4.609 4.740 0.017 0.000 0.186 306 N C 1.866 177.338 175.510 -0.063 0.000 1.027 306 N CA 0.727 53.744 53.050 -0.054 0.000 0.849 306 N CB -0.375 38.074 38.487 -0.063 0.000 1.002 306 N HN 0.147 nan 8.380 nan 0.000 0.425 307 R N 1.294 121.765 120.500 -0.047 0.000 2.113 307 R HA -0.158 4.192 4.340 0.017 0.000 0.244 307 R C 1.747 178.025 176.300 -0.037 0.000 1.142 307 R CA 1.408 57.486 56.100 -0.037 0.000 0.953 307 R CB 0.055 30.348 30.300 -0.011 0.000 0.860 307 R HN 0.221 nan 8.270 nan 0.000 0.438 308 E N 0.468 120.654 120.200 -0.024 0.000 2.017 308 E HA -0.196 4.164 4.350 0.017 0.000 0.193 308 E C 2.107 178.701 176.600 -0.009 0.000 0.997 308 E CA 1.440 57.833 56.400 -0.011 0.000 0.804 308 E CB -0.282 29.415 29.700 -0.005 0.000 0.757 308 E HN 0.425 nan 8.360 nan 0.000 0.448 309 I N 1.135 121.697 120.570 -0.014 0.000 2.185 309 I HA -0.332 3.848 4.170 0.017 0.000 0.246 309 I C 2.564 178.666 176.117 -0.024 0.000 1.088 309 I CA 1.058 62.365 61.300 0.011 0.000 1.347 309 I CB -0.345 37.661 38.000 0.010 0.000 1.041 309 I HN 0.099 nan 8.210 nan 0.000 0.415 310 L N 0.286 121.413 121.223 -0.160 0.000 2.046 310 L HA -0.233 4.117 4.340 0.017 0.000 0.208 310 L C 2.590 179.394 176.870 -0.110 0.000 1.077 310 L CA 1.425 56.074 54.840 -0.317 0.000 0.747 310 L CB -0.626 41.260 42.059 -0.290 0.000 0.896 310 L HN 0.191 nan 8.230 nan 0.000 0.432 311 K N 0.407 120.784 120.400 -0.037 0.000 2.097 311 K HA -0.203 4.127 4.320 0.017 0.000 0.214 311 K C 0.426 177.060 176.600 0.056 0.000 1.052 311 K CA 1.357 57.650 56.287 0.010 0.000 0.932 311 K CB -0.254 32.253 32.500 0.012 0.000 0.716 311 K HN 0.408 nan 8.250 nan 0.000 0.455 312 E N 1.367 121.618 120.200 0.087 0.000 2.180 312 E HA 0.101 4.461 4.350 0.017 0.000 0.283 312 E C -2.479 174.260 176.600 0.232 0.000 1.061 312 E CA -1.993 54.479 56.400 0.121 0.000 0.861 312 E CB 0.934 30.693 29.700 0.099 0.000 1.056 312 E HN 0.035 nan 8.360 nan 0.000 0.407 313 P HA 0.013 nan 4.420 nan 0.000 0.282 313 P C -0.900 176.472 177.300 0.121 0.000 1.262 313 P CA -0.320 62.932 63.100 0.254 0.000 0.773 313 P CB 0.771 32.615 31.700 0.240 0.000 0.879 314 V N 1.623 121.453 119.914 -0.140 0.000 2.667 314 V HA 0.646 4.776 4.120 0.017 0.000 0.308 314 V C -0.771 175.130 176.094 -0.321 0.000 1.048 314 V CA -0.594 61.546 62.300 -0.268 0.000 0.928 314 V CB 1.730 33.239 31.823 -0.524 0.000 1.004 314 V HN 0.415 nan 8.190 nan 0.000 0.444 315 H N 1.678 120.523 119.070 -0.374 0.000 2.600 315 H HA 0.769 5.335 4.556 0.017 0.000 0.357 315 H C 0.486 175.509 175.328 -0.508 0.000 1.106 315 H CA 0.576 56.364 56.048 -0.433 0.000 1.193 315 H CB 1.995 31.603 29.762 -0.258 0.000 1.594 315 H HN 1.211 nan 8.280 nan 0.000 0.526 316 G N 1.458 109.754 108.800 -0.841 0.000 2.420 316 G HA2 0.408 4.379 3.960 0.017 0.000 0.284 316 G HA3 0.408 4.379 3.960 0.017 0.000 0.284 316 G C -0.444 174.357 174.900 -0.165 0.000 1.177 316 G CA -0.330 44.374 45.100 -0.659 0.000 0.841 316 G HN 0.507 nan 8.290 nan 0.000 0.527 317 V N 1.201 121.154 119.914 0.066 0.000 2.904 317 V HA 0.423 4.553 4.120 0.017 0.000 0.305 317 V C -0.430 175.779 176.094 0.191 0.000 1.067 317 V CA -0.580 61.774 62.300 0.090 0.000 1.044 317 V CB 1.117 33.004 31.823 0.106 0.000 1.050 317 V HN 0.574 nan 8.190 nan 0.000 0.475 318 Y N 1.844 122.317 120.300 0.289 0.000 2.392 318 Y HA 0.315 4.876 4.550 0.018 0.000 0.323 318 Y C 0.038 176.103 175.900 0.275 0.000 1.291 318 Y CA -0.648 57.609 58.100 0.261 0.000 1.345 318 Y CB 0.461 39.033 38.460 0.186 0.000 1.320 318 Y HN 0.586 nan 8.280 nan 0.000 0.518 319 Y N 1.683 122.187 120.300 0.340 0.000 2.526 319 Y HA 0.073 4.633 4.550 0.017 0.000 0.330 319 Y C -0.139 175.837 175.900 0.127 0.000 1.156 319 Y CA -0.275 57.955 58.100 0.216 0.000 1.419 319 Y CB 0.471 39.114 38.460 0.305 0.000 1.250 319 Y HN 0.551 nan 8.280 nan 0.000 0.540 320 D N 9.455 129.733 120.400 -0.203 0.000 2.434 320 D HA 0.209 4.859 4.640 0.017 0.000 0.275 320 D C -1.704 174.226 176.300 -0.618 0.000 1.172 320 D CA -2.573 51.223 54.000 -0.340 0.000 0.916 320 D CB 0.958 41.695 40.800 -0.105 0.000 1.041 320 D HN 0.352 nan 8.370 nan 0.000 0.501 321 P HA -0.283 nan 4.420 nan 0.000 0.219 321 P C 1.172 178.297 177.300 -0.292 0.000 1.149 321 P CA 1.145 63.775 63.100 -0.783 0.000 0.835 321 P CB 0.147 31.547 31.700 -0.500 0.000 0.778 322 S N -1.308 114.254 115.700 -0.231 0.000 2.402 322 S HA -0.072 4.408 4.470 0.017 0.000 0.229 322 S C 1.118 175.664 174.600 -0.090 0.000 1.021 322 S CA 0.621 58.749 58.200 -0.120 0.000 0.974 322 S CB -0.593 62.551 63.200 -0.094 0.000 0.800 322 S HN 0.254 nan 8.310 nan 0.000 0.484 323 K N 1.299 121.638 120.400 -0.102 0.000 2.106 323 K HA 0.396 4.726 4.320 0.017 0.000 0.246 323 K C -0.798 175.774 176.600 -0.048 0.000 0.987 323 K CA -0.868 55.384 56.287 -0.058 0.000 0.904 323 K CB 0.413 32.889 32.500 -0.040 0.000 1.071 323 K HN 0.054 nan 8.250 nan 0.000 0.453 324 D N 0.930 121.302 120.400 -0.048 0.000 2.371 324 D HA 0.163 4.813 4.640 0.017 0.000 0.242 324 D C -0.349 175.875 176.300 -0.127 0.000 1.218 324 D CA 0.065 54.019 54.000 -0.076 0.000 0.945 324 D CB 0.685 41.438 40.800 -0.078 0.000 1.137 324 D HN 0.179 nan 8.370 nan 0.000 0.464 325 L N 2.009 123.101 121.223 -0.217 0.000 2.305 325 L HA 0.328 4.678 4.340 0.017 0.000 0.284 325 L C -0.697 175.905 176.870 -0.448 0.000 1.013 325 L CA -0.688 53.923 54.840 -0.383 0.000 0.819 325 L CB 1.147 42.898 42.059 -0.513 0.000 1.227 325 L HN 0.114 nan 8.230 nan 0.000 0.417 326 I N 3.218 123.440 120.570 -0.579 0.000 2.474 326 I HA 0.585 4.765 4.170 0.017 0.000 0.294 326 I C 0.151 175.719 176.117 -0.915 0.000 1.005 326 I CA -0.617 60.248 61.300 -0.727 0.000 1.113 326 I CB 1.671 39.217 38.000 -0.757 0.000 1.289 326 I HN 0.521 nan 8.210 nan 0.000 0.436 327 A N 5.288 127.653 122.820 -0.758 0.000 2.331 327 A HA 0.720 5.050 4.320 0.017 0.000 0.320 327 A C -0.520 176.856 177.584 -0.346 0.000 1.138 327 A CA -0.534 51.137 52.037 -0.610 0.000 0.790 327 A CB 1.602 20.058 19.000 -0.907 0.000 1.206 327 A HN 0.777 nan 8.150 nan 0.000 0.470 328 E N 2.177 122.292 120.200 -0.143 0.000 2.256 328 E HA 0.632 4.992 4.350 0.017 0.000 0.268 328 E C -1.429 175.247 176.600 0.128 0.000 0.877 328 E CA -0.443 55.965 56.400 0.012 0.000 0.757 328 E CB 1.417 31.139 29.700 0.037 0.000 1.183 328 E HN 0.656 nan 8.360 nan 0.000 0.418 329 I N 2.684 123.341 120.570 0.145 0.000 2.603 329 I HA 0.385 4.565 4.170 0.017 0.000 0.300 329 I C -0.661 175.583 176.117 0.212 0.000 1.017 329 I CA -0.914 60.509 61.300 0.204 0.000 1.098 329 I CB 1.962 40.056 38.000 0.158 0.000 1.279 329 I HN 0.448 nan 8.210 nan 0.000 0.437 330 Q N 3.334 123.292 119.800 0.263 0.000 2.421 330 Q HA 0.415 4.765 4.340 0.017 0.000 0.280 330 Q C -1.015 175.061 176.000 0.127 0.000 1.085 330 Q CA -0.911 55.001 55.803 0.181 0.000 0.807 330 Q CB 2.740 31.526 28.738 0.080 0.000 1.405 330 Q HN 0.371 nan 8.270 nan 0.000 0.419 331 K N 1.333 121.650 120.400 -0.138 0.000 2.276 331 K HA 0.135 4.465 4.320 0.017 0.000 0.285 331 K C -0.016 176.382 176.600 -0.337 0.000 1.062 331 K CA 0.112 56.014 56.287 -0.641 0.000 0.918 331 K CB 0.759 32.819 32.500 -0.734 0.000 1.055 331 K HN 0.714 nan 8.250 nan 0.000 0.477 332 Q N 2.536 122.139 119.800 -0.329 0.000 2.281 332 Q HA 0.181 4.531 4.340 0.017 0.000 0.215 332 Q C -0.157 175.742 176.000 -0.168 0.000 0.867 332 Q CA 0.017 55.719 55.803 -0.169 0.000 0.940 332 Q CB 0.845 29.531 28.738 -0.087 0.000 1.111 332 Q HN 0.897 nan 8.270 nan 0.000 0.513 333 G N 0.132 108.783 108.800 -0.249 0.000 2.349 333 G HA2 0.019 3.990 3.960 0.017 0.000 0.294 333 G HA3 0.019 3.990 3.960 0.017 0.000 0.294 333 G C -1.956 172.812 174.900 -0.220 0.000 1.380 333 G CA -0.837 44.157 45.100 -0.177 0.000 0.811 333 G HN 0.093 nan 8.290 nan 0.000 0.519 334 Q N 0.006 119.724 119.800 -0.137 0.000 2.286 334 Q HA 0.422 4.772 4.340 0.017 0.000 0.267 334 Q C 1.305 177.252 176.000 -0.089 0.000 1.028 334 Q CA 1.284 57.018 55.803 -0.115 0.000 0.901 334 Q CB 0.330 29.021 28.738 -0.078 0.000 1.183 334 Q HN 2.159 nan 8.270 nan 0.000 0.392 335 G N 3.385 112.148 108.800 -0.061 0.000 2.179 335 G HA2 -0.301 3.670 3.960 0.017 0.000 0.260 335 G HA3 -0.301 3.670 3.960 0.017 0.000 0.260 335 G C -0.039 174.907 174.900 0.077 0.000 0.977 335 G CA 0.483 45.627 45.100 0.074 0.000 0.641 335 G HN 0.579 nan 8.290 nan 0.000 0.533 336 Q N -1.026 118.663 119.800 -0.185 0.000 2.316 336 Q HA 0.672 5.022 4.340 0.017 0.000 0.264 336 Q C -0.933 174.818 176.000 -0.416 0.000 0.987 336 Q CA -0.602 55.128 55.803 -0.122 0.000 0.852 336 Q CB 1.168 29.856 28.738 -0.083 0.000 1.287 336 Q HN 0.385 nan 8.270 nan 0.000 0.448 337 W N 0.863 122.250 121.300 0.144 0.000 2.936 337 W HA 0.632 5.305 4.660 0.023 0.000 0.338 337 W C -0.601 176.015 176.519 0.162 0.000 1.121 337 W CA -0.611 56.814 57.345 0.133 0.000 1.209 337 W CB 1.935 31.469 29.460 0.123 0.000 1.420 337 W HN 0.541 nan 8.180 nan 0.000 0.516 338 T N -0.368 114.392 114.554 0.343 0.000 2.906 338 T HA 0.815 5.175 4.350 0.017 0.000 0.295 338 T C -1.271 173.610 174.700 0.301 0.000 1.061 338 T CA -0.788 61.452 62.100 0.233 0.000 1.000 338 T CB 1.997 70.922 68.868 0.093 0.000 1.103 338 T HN 0.541 nan 8.240 nan 0.000 0.486 339 Y N -0.676 119.695 120.300 0.119 0.000 2.638 339 Y HA 0.763 5.321 4.550 0.014 0.000 0.335 339 Y C -1.597 174.339 175.900 0.059 0.000 1.155 339 Y CA -1.289 56.862 58.100 0.085 0.000 1.046 339 Y CB 1.584 40.097 38.460 0.087 0.000 1.303 339 Y HN 0.852 nan 8.280 nan 0.000 0.460 340 Q N 2.699 122.623 119.800 0.208 0.000 2.340 340 Q HA 0.604 4.954 4.340 0.017 0.000 0.276 340 Q C -1.837 174.233 176.000 0.115 0.000 1.048 340 Q CA -0.786 55.082 55.803 0.108 0.000 0.832 340 Q CB 3.111 31.900 28.738 0.085 0.000 1.373 340 Q HN 0.916 nan 8.270 nan 0.000 0.409 341 I N 2.766 123.382 120.570 0.076 0.000 2.436 341 I HA 0.569 4.749 4.170 0.017 0.000 0.289 341 I C -1.137 174.907 176.117 -0.122 0.000 1.010 341 I CA -1.017 60.180 61.300 -0.172 0.000 1.098 341 I CB 1.235 39.165 38.000 -0.117 0.000 1.266 341 I HN 0.694 nan 8.210 nan 0.000 0.434 342 Y N 2.928 123.128 120.300 -0.167 0.000 2.655 342 Y HA 0.511 5.070 4.550 0.014 0.000 0.336 342 Y C -0.104 175.705 175.900 -0.152 0.000 1.154 342 Y CA -1.023 56.999 58.100 -0.129 0.000 1.055 342 Y CB 1.042 39.448 38.460 -0.090 0.000 1.295 342 Y HN 0.436 nan 8.280 nan 0.000 0.465 343 Q N -0.039 119.882 119.800 0.202 0.000 2.431 343 Q HA 0.286 4.636 4.340 0.017 0.000 0.244 343 Q C -0.693 175.416 176.000 0.182 0.000 0.880 343 Q CA 0.329 56.196 55.803 0.107 0.000 0.954 343 Q CB 1.174 29.937 28.738 0.042 0.000 1.105 343 Q HN 0.757 nan 8.270 nan 0.000 0.558 344 E N 0.936 121.240 120.200 0.174 0.000 2.238 344 E HA 0.302 4.663 4.350 0.017 0.000 0.267 344 E C -2.678 173.879 176.600 -0.071 0.000 0.887 344 E CA -2.542 53.901 56.400 0.072 0.000 0.769 344 E CB 1.984 31.706 29.700 0.037 0.000 1.187 344 E HN -0.166 nan 8.360 nan 0.000 0.416 345 P HA -0.149 nan 4.420 nan 0.000 0.259 345 P C -0.616 176.679 177.300 -0.008 0.000 1.155 345 P CA 0.859 63.798 63.100 -0.269 0.000 0.759 345 P CB -0.022 31.756 31.700 0.130 0.000 0.753 346 F N 0.746 120.272 119.950 -0.706 0.000 2.945 346 F HA -0.285 4.250 4.527 0.013 0.000 0.334 346 F C 1.086 176.753 175.800 -0.222 0.000 0.683 346 F CA 1.085 58.863 58.000 -0.369 0.000 1.044 346 F CB -1.948 36.913 39.000 -0.231 0.000 1.478 346 F HN 0.367 nan 8.300 nan 0.000 0.324 347 K N 1.895 122.270 120.400 -0.043 0.000 2.480 347 K HA 0.096 4.426 4.320 0.017 0.000 0.241 347 K C 0.239 176.888 176.600 0.082 0.000 1.261 347 K CA -0.264 56.038 56.287 0.025 0.000 1.193 347 K CB -0.238 32.281 32.500 0.032 0.000 1.598 347 K HN 0.091 nan 8.250 nan 0.000 0.278 348 N N 1.657 120.400 118.700 0.071 0.000 2.294 348 N HA -0.108 4.642 4.740 0.017 0.000 0.248 348 N C 0.971 176.580 175.510 0.165 0.000 1.242 348 N CA 0.463 53.583 53.050 0.117 0.000 0.848 348 N CB 0.609 39.117 38.487 0.036 0.000 1.084 348 N HN 0.352 nan 8.380 nan 0.000 0.457 349 L N 0.525 121.885 121.223 0.229 0.000 2.445 349 L HA 0.286 4.636 4.340 0.017 0.000 0.207 349 L C 0.873 178.032 176.870 0.483 0.000 1.053 349 L CA 0.417 55.470 54.840 0.355 0.000 0.841 349 L CB 0.134 42.363 42.059 0.283 0.000 1.074 349 L HN 0.470 nan 8.230 nan 0.000 0.479 350 K N 0.098 120.699 120.400 0.335 0.000 2.587 350 K HA 0.367 4.697 4.320 0.017 0.000 0.276 350 K C -1.233 175.452 176.600 0.142 0.000 0.956 350 K CA -0.305 56.174 56.287 0.321 0.000 0.857 350 K CB 2.333 35.012 32.500 0.299 0.000 1.431 350 K HN 0.044 nan 8.250 nan 0.000 0.420 351 T N -1.186 113.368 114.554 0.000 0.000 2.807 351 T HA 0.948 5.308 4.350 0.017 0.000 0.277 351 T C 0.120 174.455 174.700 -0.608 0.000 1.006 351 T CA -0.459 61.478 62.100 -0.272 0.000 1.006 351 T CB 1.895 70.647 68.868 -0.195 0.000 1.274 351 T HN 0.809 nan 8.240 nan 0.000 0.569 352 G N -0.319 107.881 108.800 -0.999 0.000 2.338 352 G HA2 0.503 4.473 3.960 0.017 0.000 0.295 352 G HA3 0.503 4.473 3.960 0.017 0.000 0.295 352 G C -2.042 172.572 174.900 -0.477 0.000 1.461 352 G CA -0.985 43.609 45.100 -0.842 0.000 0.817 352 G HN 0.766 nan 8.290 nan 0.000 0.556 353 K N -1.035 119.388 120.400 0.039 0.000 2.352 353 K HA 0.714 5.044 4.320 0.017 0.000 0.240 353 K C -1.878 174.971 176.600 0.415 0.000 1.017 353 K CA -1.026 55.397 56.287 0.226 0.000 0.851 353 K CB 2.669 35.247 32.500 0.131 0.000 1.261 353 K HN 0.571 nan 8.250 nan 0.000 0.451 354 Y N -0.421 120.041 120.300 0.270 0.000 2.298 354 Y HA 0.406 4.966 4.550 0.017 0.000 0.322 354 Y C -1.066 174.988 175.900 0.256 0.000 1.138 354 Y CA -0.413 57.829 58.100 0.237 0.000 1.127 354 Y CB 1.390 39.974 38.460 0.207 0.000 1.178 354 Y HN 0.632 nan 8.280 nan 0.000 0.428 355 A N 5.150 127.927 122.820 -0.072 0.000 2.419 355 A HA 0.279 4.609 4.320 0.017 0.000 0.233 355 A C 0.694 178.192 177.584 -0.143 0.000 1.217 355 A CA -0.337 51.711 52.037 0.018 0.000 0.944 355 A CB 0.201 19.209 19.000 0.014 0.000 1.025 355 A HN 0.500 nan 8.150 nan 0.000 0.524 356 R N 0.918 121.078 120.500 -0.566 0.000 2.501 356 R HA 0.015 4.365 4.340 0.017 0.000 0.319 356 R C -0.709 175.524 176.300 -0.111 0.000 0.913 356 R CA 0.604 56.445 56.100 -0.431 0.000 1.104 356 R CB -0.239 29.649 30.300 -0.686 0.000 0.901 356 R HN 0.518 nan 8.270 nan 0.000 0.407 357 M N 5.898 125.484 119.600 -0.023 0.000 2.072 357 M HA 0.267 4.758 4.480 0.017 0.000 0.331 357 M C -0.367 175.951 176.300 0.031 0.000 1.004 357 M CA -0.367 54.961 55.300 0.046 0.000 0.952 357 M CB 0.796 33.418 32.600 0.036 0.000 1.511 357 M HN 0.299 nan 8.290 nan 0.000 0.422 358 R N 3.911 124.447 120.500 0.060 0.000 2.369 358 R HA 0.633 4.984 4.340 0.017 0.000 0.310 358 R C -0.261 176.077 176.300 0.062 0.000 1.141 358 R CA -0.359 55.777 56.100 0.059 0.000 1.116 358 R CB 0.645 30.993 30.300 0.080 0.000 1.135 358 R HN 0.959 nan 8.270 nan 0.000 0.529 359 G N 0.503 109.322 108.800 0.033 0.000 2.525 359 G HA2 -0.013 3.957 3.960 0.017 0.000 0.685 359 G HA3 -0.013 3.957 3.960 0.017 0.000 0.685 359 G C 0.155 175.002 174.900 -0.088 0.000 1.285 359 G CA -0.463 44.645 45.100 0.014 0.000 0.849 359 G HN 0.438 nan 8.290 nan 0.000 0.653 360 A N 0.838 123.499 122.820 -0.266 0.000 2.119 360 A HA 0.372 4.702 4.320 0.017 0.000 0.217 360 A C 0.917 178.147 177.584 -0.590 0.000 1.153 360 A CA 1.775 53.505 52.037 -0.510 0.000 0.692 360 A CB -0.305 18.242 19.000 -0.755 0.000 0.799 360 A HN 1.071 nan 8.150 nan 0.000 0.458 361 H N -0.958 118.152 119.070 0.066 0.000 2.865 361 H HA 0.555 5.121 4.556 0.016 0.000 0.362 361 H C -0.666 174.695 175.328 0.055 0.000 1.114 361 H CA 0.099 56.178 56.048 0.052 0.000 1.208 361 H CB 1.365 31.158 29.762 0.053 0.000 1.727 361 H HN 0.233 nan 8.280 nan 0.000 0.534 362 T N 0.095 114.728 114.554 0.131 0.000 2.671 362 T HA 0.433 4.794 4.350 0.017 0.000 0.300 362 T C -0.458 174.221 174.700 -0.034 0.000 1.238 362 T CA -1.180 60.944 62.100 0.039 0.000 1.020 362 T CB 1.826 70.704 68.868 0.018 0.000 1.503 362 T HN 0.690 nan 8.240 nan 0.000 0.497 363 N N -1.331 117.269 118.700 -0.166 0.000 2.571 363 N HA 0.454 5.204 4.740 0.017 0.000 0.273 363 N C -0.315 175.083 175.510 -0.185 0.000 1.340 363 N CA -0.872 52.052 53.050 -0.210 0.000 0.789 363 N CB 0.566 38.814 38.487 -0.398 0.000 1.514 363 N HN 0.404 nan 8.380 nan 0.000 0.499 364 D N -0.250 120.115 120.400 -0.058 0.000 2.182 364 D HA -0.097 4.553 4.640 0.017 0.000 0.201 364 D C 1.649 177.865 176.300 -0.139 0.000 0.986 364 D CA 1.030 55.100 54.000 0.117 0.000 0.847 364 D CB -0.166 40.800 40.800 0.276 0.000 0.942 364 D HN 0.369 nan 8.370 nan 0.000 0.467 365 V N 0.886 120.572 119.914 -0.380 0.000 2.295 365 V HA -0.249 3.881 4.120 0.017 0.000 0.246 365 V C 2.456 178.176 176.094 -0.623 0.000 1.049 365 V CA 1.667 63.630 62.300 -0.563 0.000 1.024 365 V CB -0.471 30.779 31.823 -0.956 0.000 0.648 365 V HN 0.135 nan 8.190 nan 0.000 0.447 366 K N -0.194 119.769 120.400 -0.728 0.000 2.002 366 K HA -0.247 4.083 4.320 0.017 0.000 0.209 366 K C 2.382 178.774 176.600 -0.347 0.000 1.048 366 K CA 1.836 57.837 56.287 -0.476 0.000 0.930 366 K CB -0.195 32.068 32.500 -0.394 0.000 0.714 366 K HN 0.455 nan 8.250 nan 0.000 0.438 367 Q N 0.278 119.894 119.800 -0.307 0.000 2.096 367 Q HA -0.191 4.159 4.340 0.017 0.000 0.204 367 Q C 2.149 177.664 176.000 -0.808 0.000 0.982 367 Q CA 1.700 57.307 55.803 -0.325 0.000 0.850 367 Q CB -0.118 28.611 28.738 -0.016 0.000 0.901 367 Q HN 0.342 nan 8.270 nan 0.000 0.422 368 L N -0.151 120.504 121.223 -0.947 0.000 2.093 368 L HA -0.130 4.220 4.340 0.017 0.000 0.208 368 L C 2.051 178.418 176.870 -0.837 0.000 1.085 368 L CA 2.026 56.120 54.840 -1.244 0.000 0.755 368 L CB -0.795 40.726 42.059 -0.897 0.000 0.904 368 L HN 0.089 nan 8.230 nan 0.000 0.435 369 T N -0.300 113.919 114.554 -0.559 0.000 2.708 369 T HA -0.174 4.186 4.350 0.017 0.000 0.266 369 T C 1.701 176.133 174.700 -0.446 0.000 1.037 369 T CA 1.846 63.704 62.100 -0.403 0.000 1.146 369 T CB -0.232 68.545 68.868 -0.151 0.000 0.865 369 T HN 0.484 nan 8.240 nan 0.000 0.435 370 E N 0.914 120.858 120.200 -0.427 0.000 2.153 370 E HA -0.067 4.294 4.350 0.017 0.000 0.194 370 E C 2.463 178.696 176.600 -0.611 0.000 0.988 370 E CA 0.896 57.081 56.400 -0.358 0.000 0.811 370 E CB -0.191 29.405 29.700 -0.173 0.000 0.746 370 E HN 0.467 nan 8.360 nan 0.000 0.466 371 A N 0.772 122.966 122.820 -1.042 0.000 1.933 371 A HA -0.142 4.188 4.320 0.017 0.000 0.218 371 A C 2.453 179.618 177.584 -0.699 0.000 1.175 371 A CA 1.059 52.336 52.037 -1.268 0.000 0.628 371 A CB -0.515 17.689 19.000 -1.328 0.000 0.814 371 A HN 0.123 nan 8.150 nan 0.000 0.444 372 V N -0.244 119.266 119.914 -0.673 0.000 2.407 372 V HA -0.269 3.861 4.120 0.017 0.000 0.248 372 V C 2.726 178.561 176.094 -0.432 0.000 1.055 372 V CA 2.305 64.193 62.300 -0.687 0.000 1.049 372 V CB -0.710 30.533 31.823 -0.967 0.000 0.662 372 V HN 0.668 nan 8.190 nan 0.000 0.455 373 Q N 0.881 120.476 119.800 -0.343 0.000 2.050 373 Q HA -0.201 4.149 4.340 0.017 0.000 0.202 373 Q C 2.306 178.239 176.000 -0.111 0.000 0.980 373 Q CA 1.960 57.653 55.803 -0.184 0.000 0.840 373 Q CB -0.535 28.130 28.738 -0.122 0.000 0.898 373 Q HN 0.550 nan 8.270 nan 0.000 0.424 374 K N 0.218 120.552 120.400 -0.109 0.000 2.044 374 K HA -0.188 4.142 4.320 0.017 0.000 0.210 374 K C 2.009 178.569 176.600 -0.067 0.000 1.049 374 K CA 1.816 58.088 56.287 -0.024 0.000 0.927 374 K CB -0.475 32.084 32.500 0.100 0.000 0.713 374 K HN 0.389 nan 8.250 nan 0.000 0.443 375 I N 1.001 121.482 120.570 -0.148 0.000 2.179 375 I HA -0.262 3.918 4.170 0.017 0.000 0.242 375 I C 2.324 178.441 176.117 -0.000 0.000 1.088 375 I CA 1.648 62.857 61.300 -0.151 0.000 1.357 375 I CB -0.718 37.178 38.000 -0.174 0.000 1.051 375 I HN 0.263 nan 8.210 nan 0.000 0.409 376 T N 0.359 114.956 114.554 0.072 0.000 2.635 376 T HA -0.217 4.144 4.350 0.017 0.000 0.267 376 T C 1.893 176.616 174.700 0.038 0.000 1.040 376 T CA 2.308 64.463 62.100 0.092 0.000 1.156 376 T CB -0.570 68.330 68.868 0.054 0.000 0.863 376 T HN 0.379 nan 8.240 nan 0.000 0.430 377 T N 1.508 116.067 114.554 0.010 0.000 2.624 377 T HA -0.188 4.172 4.350 0.017 0.000 0.268 377 T C 1.889 176.581 174.700 -0.014 0.000 1.041 377 T CA 1.741 63.843 62.100 0.004 0.000 1.159 377 T CB -0.452 68.417 68.868 0.003 0.000 0.863 377 T HN 0.532 nan 8.240 nan 0.000 0.434 378 E N 0.347 120.532 120.200 -0.026 0.000 2.130 378 E HA -0.165 4.195 4.350 0.017 0.000 0.196 378 E C 2.324 178.850 176.600 -0.123 0.000 0.998 378 E CA 1.387 57.745 56.400 -0.070 0.000 0.806 378 E CB -0.034 29.635 29.700 -0.051 0.000 0.738 378 E HN 0.404 nan 8.360 nan 0.000 0.459 379 S N 0.196 115.902 115.700 0.009 0.000 2.371 379 S HA -0.063 4.417 4.470 0.017 0.000 0.224 379 S C 1.916 176.552 174.600 0.061 0.000 1.029 379 S CA 0.746 59.044 58.200 0.164 0.000 0.978 379 S CB -0.137 63.235 63.200 0.288 0.000 0.833 379 S HN 0.281 nan 8.310 nan 0.000 0.466 380 I N 1.386 121.975 120.570 0.031 0.000 2.530 380 I HA -0.132 4.048 4.170 0.017 0.000 0.257 380 I C 1.853 177.944 176.117 -0.044 0.000 1.179 380 I CA 0.764 62.074 61.300 0.017 0.000 1.440 380 I CB -0.256 37.757 38.000 0.021 0.000 1.087 380 I HN 0.156 nan 8.210 nan 0.000 0.440 381 V N 0.438 120.287 119.914 -0.108 0.000 2.599 381 V HA -0.089 4.041 4.120 0.017 0.000 0.245 381 V C 2.035 177.951 176.094 -0.297 0.000 1.046 381 V CA 1.274 63.480 62.300 -0.157 0.000 1.065 381 V CB 0.114 31.856 31.823 -0.134 0.000 0.703 381 V HN 0.307 nan 8.190 nan 0.000 0.464 382 I N -1.669 118.569 120.570 -0.554 0.000 2.703 382 I HA -0.058 4.123 4.170 0.017 0.000 0.259 382 I C 1.800 177.308 176.117 -1.014 0.000 1.151 382 I CA 1.092 61.805 61.300 -0.979 0.000 1.470 382 I CB -0.008 36.914 38.000 -1.796 0.000 1.112 382 I HN 0.407 nan 8.210 nan 0.000 0.437 383 W N 0.123 121.265 121.300 -0.264 0.000 2.555 383 W HA 0.370 5.040 4.660 0.017 0.000 0.324 383 W C 1.427 177.859 176.519 -0.144 0.000 0.973 383 W CA 0.515 57.658 57.345 -0.337 0.000 1.481 383 W CB -0.096 29.026 29.460 -0.563 0.000 1.064 383 W HN 0.249 nan 8.180 nan 0.000 0.543 384 G N 2.561 111.399 108.800 0.064 0.000 2.153 384 G HA2 -0.308 3.662 3.960 0.017 0.000 0.252 384 G HA3 -0.308 3.662 3.960 0.017 0.000 0.252 384 G C 0.187 175.140 174.900 0.088 0.000 0.994 384 G CA 1.085 46.222 45.100 0.063 0.000 0.698 384 G HN 0.348 nan 8.290 nan 0.000 0.521 385 K N -1.194 119.274 120.400 0.114 0.000 2.533 385 K HA 0.733 5.064 4.320 0.017 0.000 0.272 385 K C -0.375 176.262 176.600 0.062 0.000 0.985 385 K CA -0.426 55.909 56.287 0.080 0.000 0.876 385 K CB 1.290 33.835 32.500 0.075 0.000 1.452 385 K HN 0.509 nan 8.250 nan 0.000 0.439 386 T N -0.857 113.713 114.554 0.026 0.000 2.907 386 T HA 0.541 4.901 4.350 0.017 0.000 0.284 386 T C -2.097 172.536 174.700 -0.111 0.000 1.004 386 T CA -1.475 60.623 62.100 -0.004 0.000 1.063 386 T CB 1.166 70.063 68.868 0.049 0.000 0.992 386 T HN 0.510 nan 8.240 nan 0.000 0.483 387 P HA 0.416 nan 4.420 nan 0.000 0.280 387 P C -1.140 175.896 177.300 -0.440 0.000 1.272 387 P CA -0.893 61.935 63.100 -0.453 0.000 0.819 387 P CB 0.909 32.187 31.700 -0.703 0.000 1.122 388 K N 0.721 120.893 120.400 -0.380 0.000 2.248 388 K HA 0.411 4.741 4.320 0.017 0.000 0.281 388 K C -0.399 176.020 176.600 -0.302 0.000 1.054 388 K CA -0.227 55.935 56.287 -0.208 0.000 0.903 388 K CB 0.237 32.650 32.500 -0.147 0.000 1.077 388 K HN 0.280 nan 8.250 nan 0.000 0.474 389 F N 2.049 121.929 119.950 -0.117 0.000 2.379 389 F HA 0.301 4.837 4.527 0.014 0.000 0.332 389 F C 0.715 176.502 175.800 -0.022 0.000 1.096 389 F CA -0.553 57.384 58.000 -0.105 0.000 1.105 389 F CB 1.009 39.930 39.000 -0.132 0.000 1.189 389 F HN 0.096 nan 8.300 nan 0.000 0.515 390 K N 4.876 125.369 120.400 0.156 0.000 2.425 390 K HA 0.555 4.886 4.320 0.017 0.000 0.259 390 K C -1.253 175.431 176.600 0.139 0.000 0.978 390 K CA -0.335 56.021 56.287 0.114 0.000 0.883 390 K CB 1.815 34.328 32.500 0.023 0.000 1.110 390 K HN 0.558 nan 8.250 nan 0.000 0.436 391 L N 3.689 125.040 121.223 0.214 0.000 2.381 391 L HA 0.459 4.809 4.340 0.017 0.000 0.268 391 L C -2.086 174.895 176.870 0.185 0.000 0.997 391 L CA -2.198 52.725 54.840 0.138 0.000 0.818 391 L CB 2.424 44.437 42.059 -0.076 0.000 1.310 391 L HN 0.295 nan 8.230 nan 0.000 0.416 392 P HA 0.233 nan 4.420 nan 0.000 0.218 392 P C -0.653 176.868 177.300 0.368 0.000 1.793 392 P CA 0.362 63.582 63.100 0.199 0.000 0.941 392 P CB 0.369 32.162 31.700 0.155 0.000 1.919 393 I N 0.234 121.163 120.570 0.600 0.000 2.828 393 I HA 0.202 4.382 4.170 0.017 0.000 0.295 393 I C -1.572 174.898 176.117 0.589 0.000 1.459 393 I CA -0.852 60.710 61.300 0.437 0.000 1.015 393 I CB 2.745 40.837 38.000 0.154 0.000 1.345 393 I HN -0.066 nan 8.210 nan 0.000 0.449 394 Q N 5.145 125.044 119.800 0.166 0.000 2.235 394 Q HA 0.397 4.747 4.340 0.017 0.000 0.256 394 Q C -0.070 176.146 176.000 0.361 0.000 0.951 394 Q CA -0.916 54.900 55.803 0.022 0.000 0.890 394 Q CB 2.071 30.532 28.738 -0.462 0.000 1.279 394 Q HN 0.569 nan 8.270 nan 0.000 0.444 395 K N 1.325 121.951 120.400 0.377 0.000 2.107 395 K HA -0.290 4.040 4.320 0.017 0.000 0.211 395 K C 1.701 178.547 176.600 0.409 0.000 1.049 395 K CA 2.090 58.665 56.287 0.480 0.000 0.927 395 K CB -0.218 32.376 32.500 0.157 0.000 0.714 395 K HN 0.754 nan 8.250 nan 0.000 0.452 396 E N 0.619 120.943 120.200 0.207 0.000 2.058 396 E HA -0.191 4.169 4.350 0.017 0.000 0.194 396 E C 1.616 178.324 176.600 0.179 0.000 0.997 396 E CA 1.909 58.401 56.400 0.153 0.000 0.801 396 E CB -0.086 29.645 29.700 0.053 0.000 0.746 396 E HN 0.411 nan 8.360 nan 0.000 0.450 397 T N 0.322 114.979 114.554 0.173 0.000 2.674 397 T HA -0.190 4.171 4.350 0.017 0.000 0.265 397 T C 1.172 176.014 174.700 0.237 0.000 1.039 397 T CA 1.518 63.711 62.100 0.155 0.000 1.150 397 T CB -0.631 68.308 68.868 0.118 0.000 0.864 397 T HN 0.374 nan 8.240 nan 0.000 0.427 398 W N 1.801 123.207 121.300 0.177 0.000 2.289 398 W HA -0.171 4.496 4.660 0.012 0.000 0.328 398 W C 2.499 179.250 176.519 0.387 0.000 1.241 398 W CA 1.734 59.216 57.345 0.228 0.000 1.221 398 W CB -0.720 28.878 29.460 0.230 0.000 1.175 398 W HN 0.316 nan 8.180 nan 0.000 0.457 399 E N -0.962 119.672 120.200 0.723 0.000 2.113 399 E HA -0.353 4.008 4.350 0.017 0.000 0.210 399 E C 2.020 178.655 176.600 0.058 0.000 1.040 399 E CA 2.995 59.745 56.400 0.583 0.000 0.847 399 E CB -0.598 29.373 29.700 0.451 0.000 0.755 399 E HN 0.227 nan 8.360 nan 0.000 0.459 400 T N 0.693 115.290 114.554 0.073 0.000 2.597 400 T HA -0.247 4.113 4.350 0.017 0.000 0.267 400 T C 1.171 175.842 174.700 -0.049 0.000 1.053 400 T CA 1.661 63.752 62.100 -0.016 0.000 1.165 400 T CB -0.634 68.259 68.868 0.043 0.000 0.863 400 T HN 0.467 nan 8.240 nan 0.000 0.427 401 W N 0.711 121.903 121.300 -0.179 0.000 2.352 401 W HA -0.201 4.472 4.660 0.022 0.000 0.322 401 W C 2.252 178.629 176.519 -0.237 0.000 1.208 401 W CA 1.725 58.926 57.345 -0.240 0.000 1.286 401 W CB -0.958 28.307 29.460 -0.325 0.000 1.167 401 W HN 0.452 nan 8.180 nan 0.000 0.469 402 W N 2.388 123.419 121.300 -0.449 0.000 2.247 402 W HA -0.333 4.335 4.660 0.014 0.000 0.330 402 W C 2.338 178.627 176.519 -0.383 0.000 1.278 402 W CA 3.734 60.743 57.345 -0.559 0.000 1.174 402 W CB -1.324 27.646 29.460 -0.816 0.000 1.153 402 W HN -0.132 nan 8.180 nan 0.000 0.464 403 T N 1.306 115.366 114.554 -0.823 0.000 2.771 403 T HA -0.355 4.005 4.350 0.017 0.000 0.262 403 T C 1.295 175.731 174.700 -0.440 0.000 1.027 403 T CA 2.603 64.169 62.100 -0.889 0.000 1.159 403 T CB -0.527 67.858 68.868 -0.805 0.000 0.844 403 T HN 0.716 nan 8.240 nan 0.000 0.478 404 E N -1.136 118.827 120.200 -0.395 0.000 2.538 404 E HA 0.102 4.462 4.350 0.017 0.000 0.207 404 E C -0.052 176.344 176.600 -0.340 0.000 1.002 404 E CA -0.567 55.644 56.400 -0.315 0.000 0.952 404 E CB 0.091 29.625 29.700 -0.277 0.000 1.031 404 E HN 0.433 nan 8.360 nan 0.000 0.476 405 Y N 2.220 122.135 120.300 -0.642 0.000 2.310 405 Y HA 0.097 4.659 4.550 0.020 0.000 0.326 405 Y C 1.022 176.701 175.900 -0.368 0.000 1.151 405 Y CA -2.095 55.577 58.100 -0.712 0.000 1.195 405 Y CB 0.618 38.487 38.460 -0.985 0.000 1.210 405 Y HN 0.210 nan 8.280 nan 0.000 0.483 406 W N 3.378 124.330 121.300 -0.581 0.000 2.465 406 W HA -0.006 4.665 4.660 0.019 0.000 0.268 406 W C -0.392 175.849 176.519 -0.463 0.000 1.242 406 W CA 0.149 57.219 57.345 -0.458 0.000 1.248 406 W CB -0.210 29.022 29.460 -0.380 0.000 1.118 406 W HN 0.531 nan 8.180 nan 0.000 0.587 407 Q N 1.304 120.252 119.800 -1.421 0.000 2.230 407 Q HA 0.514 4.864 4.340 0.017 0.000 0.253 407 Q C -0.173 175.612 176.000 -0.359 0.000 0.919 407 Q CA -0.432 54.802 55.803 -0.949 0.000 0.908 407 Q CB 1.781 29.585 28.738 -1.557 0.000 1.245 407 Q HN 0.057 nan 8.270 nan 0.000 0.437 408 A N 2.359 125.099 122.820 -0.133 0.000 2.440 408 A HA 0.454 4.784 4.320 0.017 0.000 0.251 408 A C -0.170 177.420 177.584 0.010 0.000 1.089 408 A CA 0.212 52.241 52.037 -0.013 0.000 0.779 408 A CB 0.865 19.875 19.000 0.017 0.000 1.022 408 A HN 0.651 nan 8.150 nan 0.000 0.492 409 T N 2.205 116.799 114.554 0.067 0.000 2.853 409 T HA 0.586 4.946 4.350 0.017 0.000 0.311 409 T C -1.867 172.974 174.700 0.235 0.000 1.307 409 T CA -0.434 61.737 62.100 0.119 0.000 1.019 409 T CB 1.076 70.011 68.868 0.112 0.000 1.264 409 T HN 1.019 nan 8.240 nan 0.000 0.497 410 W N 5.977 127.278 121.300 0.001 0.000 3.405 410 W HA 0.599 5.271 4.660 0.020 0.000 0.329 410 W C -2.512 173.946 176.519 -0.103 0.000 1.142 410 W CA -1.063 56.257 57.345 -0.041 0.000 1.235 410 W CB 1.151 30.566 29.460 -0.076 0.000 1.341 410 W HN 0.616 nan 8.180 nan 0.000 0.481 411 I N 7.609 127.611 120.570 -0.947 0.000 2.406 411 I HA 0.256 4.436 4.170 0.017 0.000 0.290 411 I C -1.668 173.404 176.117 -1.742 0.000 0.999 411 I CA -2.085 58.465 61.300 -1.250 0.000 1.124 411 I CB 2.221 39.419 38.000 -1.336 0.000 1.289 411 I HN 0.158 nan 8.210 nan 0.000 0.441 412 P HA -0.036 nan 4.420 nan 0.000 0.313 412 P C -0.442 176.619 177.300 -0.399 0.000 1.332 412 P CA -0.190 62.479 63.100 -0.719 0.000 0.777 412 P CB 0.308 31.862 31.700 -0.244 0.000 1.599 413 E N 0.593 120.729 120.200 -0.108 0.000 2.265 413 E HA 0.070 4.430 4.350 0.017 0.000 0.272 413 E C -0.713 175.941 176.600 0.090 0.000 1.067 413 E CA 0.282 56.662 56.400 -0.034 0.000 0.900 413 E CB 0.087 29.780 29.700 -0.011 0.000 1.017 413 E HN 0.386 nan 8.360 nan 0.000 0.431 414 W N 3.149 124.332 121.300 -0.194 0.000 3.022 414 W HA 0.514 5.179 4.660 0.010 0.000 0.335 414 W C -1.131 175.331 176.519 -0.096 0.000 1.133 414 W CA -1.103 56.158 57.345 -0.141 0.000 1.219 414 W CB 0.479 29.783 29.460 -0.260 0.000 1.409 414 W HN 0.383 nan 8.180 nan 0.000 0.507 415 E N 3.066 123.287 120.200 0.035 0.000 2.171 415 E HA 0.362 4.722 4.350 0.017 0.000 0.271 415 E C -1.370 175.289 176.600 0.098 0.000 0.916 415 E CA -0.883 55.456 56.400 -0.103 0.000 0.774 415 E CB 1.619 31.293 29.700 -0.044 0.000 1.128 415 E HN 0.289 nan 8.360 nan 0.000 0.403 416 F N 5.016 124.876 119.950 -0.150 0.000 2.529 416 F HA 0.295 4.822 4.527 0.001 0.000 0.365 416 F C -1.004 174.850 175.800 0.090 0.000 1.102 416 F CA -0.140 57.925 58.000 0.108 0.000 1.271 416 F CB 0.999 40.014 39.000 0.026 0.000 1.120 416 F HN 0.209 nan 8.300 nan 0.000 0.579 417 V N 6.918 126.359 119.914 -0.790 0.000 2.531 417 V HA 0.311 4.441 4.120 0.017 0.000 0.301 417 V C -0.927 174.531 176.094 -1.059 0.000 1.034 417 V CA -0.851 61.036 62.300 -0.688 0.000 0.865 417 V CB 1.463 33.136 31.823 -0.251 0.000 0.995 417 V HN 0.831 nan 8.190 nan 0.000 0.424 418 N N 4.341 122.552 118.700 -0.814 0.000 2.663 418 N HA 0.282 5.032 4.740 0.017 0.000 0.250 418 N C -0.641 174.772 175.510 -0.162 0.000 1.129 418 N CA 0.162 52.955 53.050 -0.428 0.000 0.995 418 N CB 0.271 38.710 38.487 -0.080 0.000 1.324 418 N HN 0.695 nan 8.380 nan 0.000 0.512 419 T N 4.403 118.884 114.554 -0.121 0.000 2.934 419 T HA 0.371 4.731 4.350 0.017 0.000 0.328 419 T C -2.549 172.155 174.700 0.006 0.000 1.068 419 T CA -1.050 61.025 62.100 -0.041 0.000 1.018 419 T CB 1.673 70.517 68.868 -0.040 0.000 1.009 419 T HN 0.291 nan 8.240 nan 0.000 0.471 420 P HA 0.258 nan 4.420 nan 0.000 0.272 420 P C -2.346 174.965 177.300 0.019 0.000 1.240 420 P CA -1.194 61.926 63.100 0.034 0.000 0.791 420 P CB -0.070 31.649 31.700 0.031 0.000 0.978 421 P HA 0.181 nan 4.420 nan 0.000 0.281 421 P C -0.705 176.633 177.300 0.064 0.000 1.252 421 P CA 0.103 63.221 63.100 0.030 0.000 0.778 421 P CB 0.668 32.376 31.700 0.014 0.000 0.895 422 L N 2.813 124.089 121.223 0.088 0.000 2.439 422 L HA 0.344 4.694 4.340 0.017 0.000 0.261 422 L C 1.005 177.948 176.870 0.122 0.000 1.153 422 L CA -1.047 53.882 54.840 0.148 0.000 0.808 422 L CB 1.050 43.226 42.059 0.196 0.000 1.126 422 L HN 0.248 nan 8.230 nan 0.000 0.460 423 V N 0.906 120.916 119.914 0.161 0.000 2.439 423 V HA 0.609 4.740 4.120 0.017 0.000 0.282 423 V C -0.448 175.689 176.094 0.073 0.000 1.039 423 V CA -0.380 62.008 62.300 0.147 0.000 0.913 423 V CB 1.202 33.149 31.823 0.206 0.000 0.983 423 V HN 0.910 nan 8.190 nan 0.000 0.460 424 K N 4.925 125.336 120.400 0.018 0.000 2.495 424 K HA 0.740 5.070 4.320 0.017 0.000 0.268 424 K C -1.423 175.157 176.600 -0.033 0.000 1.008 424 K CA -0.965 55.286 56.287 -0.060 0.000 0.882 424 K CB 1.861 34.251 32.500 -0.184 0.000 1.443 424 K HN 0.600 nan 8.250 nan 0.000 0.447 425 L N 2.055 123.251 121.223 -0.046 0.000 2.257 425 L HA 0.310 4.660 4.340 0.017 0.000 0.290 425 L C -0.099 176.783 176.870 0.019 0.000 1.044 425 L CA -0.537 54.301 54.840 -0.004 0.000 0.810 425 L CB 0.424 42.466 42.059 -0.030 0.000 1.193 425 L HN 0.672 nan 8.230 nan 0.000 0.425 426 W N 3.444 124.699 121.300 -0.075 0.000 2.611 426 W HA -0.035 4.639 4.660 0.023 0.000 0.251 426 W C 0.199 176.816 176.519 0.164 0.000 1.265 426 W CA 0.079 57.457 57.345 0.056 0.000 1.295 426 W CB -0.401 29.140 29.460 0.136 0.000 1.129 426 W HN 0.493 nan 8.180 nan 0.000 0.630 427 Y N -3.054 117.381 120.300 0.225 0.000 2.687 427 Y HA 0.570 5.129 4.550 0.015 0.000 0.338 427 Y C -1.249 174.723 175.900 0.119 0.000 1.189 427 Y CA -2.156 56.030 58.100 0.144 0.000 1.097 427 Y CB 0.430 38.970 38.460 0.134 0.000 1.342 427 Y HN -0.171 nan 8.280 nan 0.000 0.461 428 Q N 2.401 122.337 119.800 0.228 0.000 2.285 428 Q HA 0.592 4.942 4.340 0.017 0.000 0.269 428 Q C -1.496 174.629 176.000 0.208 0.000 1.030 428 Q CA -0.797 55.087 55.803 0.136 0.000 0.788 428 Q CB 2.858 31.639 28.738 0.072 0.000 1.266 428 Q HN 0.734 nan 8.270 nan 0.000 0.438 429 L N 2.144 123.483 121.223 0.193 0.000 2.426 429 L HA 0.172 4.522 4.340 0.017 0.000 0.271 429 L C 0.600 177.557 176.870 0.143 0.000 1.169 429 L CA -0.450 54.486 54.840 0.160 0.000 0.836 429 L CB 0.296 42.418 42.059 0.106 0.000 1.112 429 L HN 0.440 nan 8.230 nan 0.000 0.465 430 E N 2.019 122.328 120.200 0.183 0.000 2.415 430 E HA -0.032 4.328 4.350 0.017 0.000 0.262 430 E C 0.401 177.160 176.600 0.266 0.000 1.038 430 E CA 0.248 56.769 56.400 0.201 0.000 0.921 430 E CB 0.694 30.525 29.700 0.218 0.000 0.950 430 E HN 0.365 nan 8.360 nan 0.000 0.438 431 K N 0.960 121.464 120.400 0.174 0.000 2.400 431 K HA -0.018 4.312 4.320 0.017 0.000 0.194 431 K C 0.377 177.109 176.600 0.221 0.000 1.033 431 K CA 0.451 56.842 56.287 0.174 0.000 1.021 431 K CB 0.359 32.906 32.500 0.078 0.000 0.808 431 K HN 0.490 nan 8.250 nan 0.000 0.505 432 E N 0.009 120.258 120.200 0.083 0.000 2.383 432 E HA 0.310 4.670 4.350 0.017 0.000 0.275 432 E C -2.974 173.139 176.600 -0.810 0.000 0.918 432 E CA -2.612 53.639 56.400 -0.249 0.000 0.764 432 E CB 1.703 31.316 29.700 -0.146 0.000 1.252 432 E HN -0.264 nan 8.360 nan 0.000 0.449 433 P HA 0.019 nan 4.420 nan 0.000 0.267 433 P C -0.192 176.848 177.300 -0.434 0.000 1.201 433 P CA 0.237 62.676 63.100 -1.100 0.000 0.775 433 P CB 0.629 31.960 31.700 -0.615 0.000 0.854 434 I N 1.476 121.910 120.570 -0.228 0.000 2.331 434 I HA 0.134 4.314 4.170 0.017 0.000 0.292 434 I C 0.415 176.495 176.117 -0.060 0.000 0.998 434 I CA -1.169 60.077 61.300 -0.090 0.000 1.267 434 I CB 1.250 39.243 38.000 -0.012 0.000 1.386 434 I HN 0.033 nan 8.210 nan 0.000 0.476 435 V N 5.502 125.387 119.914 -0.049 0.000 2.479 435 V HA 0.256 4.387 4.120 0.017 0.000 0.281 435 V C 1.272 177.360 176.094 -0.010 0.000 1.031 435 V CA 0.265 62.547 62.300 -0.031 0.000 1.038 435 V CB 0.139 31.945 31.823 -0.028 0.000 0.981 435 V HN 1.168 nan 8.190 nan 0.000 0.478 436 G N 3.369 112.168 108.800 -0.002 0.000 2.160 436 G HA2 -0.050 3.920 3.960 0.017 0.000 0.251 436 G HA3 -0.050 3.920 3.960 0.017 0.000 0.251 436 G C 0.223 175.135 174.900 0.020 0.000 1.008 436 G CA 0.120 45.225 45.100 0.008 0.000 0.724 436 G HN 1.586 nan 8.290 nan 0.000 0.514 437 A N -0.262 122.575 122.820 0.028 0.000 2.292 437 A HA 0.749 5.079 4.320 0.017 0.000 0.319 437 A C 0.369 178.001 177.584 0.079 0.000 1.206 437 A CA 0.115 52.184 52.037 0.053 0.000 0.835 437 A CB 0.766 19.798 19.000 0.053 0.000 1.164 437 A HN 0.602 nan 8.150 nan 0.000 0.505 438 E N 1.034 121.298 120.200 0.107 0.000 2.467 438 E HA 0.122 4.483 4.350 0.017 0.000 0.264 438 E C -0.587 176.117 176.600 0.173 0.000 1.020 438 E CA 0.574 57.029 56.400 0.093 0.000 0.945 438 E CB 0.398 30.137 29.700 0.065 0.000 0.942 438 E HN 0.545 nan 8.360 nan 0.000 0.449 439 T N 4.900 119.501 114.554 0.077 0.000 2.788 439 T HA 0.330 4.690 4.350 0.017 0.000 0.296 439 T C -0.982 173.775 174.700 0.095 0.000 1.009 439 T CA -0.432 61.744 62.100 0.126 0.000 0.949 439 T CB -0.009 68.936 68.868 0.128 0.000 0.946 439 T HN 0.209 nan 8.240 nan 0.000 0.453 440 F N 2.644 122.559 119.950 -0.059 0.000 2.420 440 F HA 0.487 5.025 4.527 0.018 0.000 0.342 440 F C -0.172 175.582 175.800 -0.076 0.000 1.113 440 F CA -1.353 56.641 58.000 -0.011 0.000 1.059 440 F CB 0.785 39.700 39.000 -0.142 0.000 1.128 440 F HN 0.473 nan 8.300 nan 0.000 0.475 441 Y N 2.578 122.999 120.300 0.202 0.000 2.331 441 Y HA 0.552 5.113 4.550 0.018 0.000 0.338 441 Y C -0.025 175.982 175.900 0.178 0.000 0.976 441 Y CA -1.214 56.970 58.100 0.140 0.000 1.137 441 Y CB 1.567 40.073 38.460 0.076 0.000 1.172 441 Y HN 0.427 nan 8.280 nan 0.000 0.478 442 V N 0.260 120.314 119.914 0.233 0.000 2.715 442 V HA 0.859 4.989 4.120 0.017 0.000 0.310 442 V C -1.034 175.147 176.094 0.145 0.000 1.054 442 V CA -0.441 61.983 62.300 0.207 0.000 0.928 442 V CB 2.192 34.116 31.823 0.169 0.000 1.007 442 V HN 0.730 nan 8.190 nan 0.000 0.437 456 G N 0.581 109.430 108.800 0.083 0.000 2.355 456 G HA2 0.696 4.666 3.960 0.017 0.000 0.296 456 G HA3 0.696 4.666 3.960 0.017 0.000 0.296 456 G C -1.256 173.722 174.900 0.130 0.000 1.507 456 G CA 0.251 45.369 45.100 0.029 0.000 0.823 456 G HN 1.931 nan 8.290 nan 0.000 0.569 457 Y N -1.860 118.503 120.300 0.105 0.000 2.705 457 Y HA 0.884 5.444 4.550 0.018 0.000 0.332 457 Y C -0.812 175.149 175.900 0.102 0.000 1.157 457 Y CA -1.878 56.310 58.100 0.147 0.000 1.091 457 Y CB 1.671 40.283 38.460 0.252 0.000 1.301 457 Y HN 0.741 nan 8.280 nan 0.000 0.488 458 V N 1.114 121.283 119.914 0.425 0.000 2.817 458 V HA 0.564 4.694 4.120 0.017 0.000 0.303 458 V C -0.391 175.828 176.094 0.208 0.000 1.151 458 V CA -0.214 62.218 62.300 0.221 0.000 0.929 458 V CB 1.486 33.361 31.823 0.087 0.000 1.030 458 V HN 1.186 nan 8.190 nan 0.000 0.427 459 T N -0.211 114.361 114.554 0.030 0.000 2.949 459 T HA 0.343 4.703 4.350 0.017 0.000 0.287 459 T C 1.054 175.724 174.700 -0.051 0.000 1.034 459 T CA -0.194 61.821 62.100 -0.142 0.000 1.018 459 T CB 1.581 70.114 68.868 -0.558 0.000 1.135 459 T HN 0.684 nan 8.240 nan 0.000 0.532 460 N N 1.068 119.755 118.700 -0.022 0.000 2.309 460 N HA -0.120 4.630 4.740 0.017 0.000 0.182 460 N C 1.257 176.742 175.510 -0.043 0.000 1.018 460 N CA 0.668 53.715 53.050 -0.006 0.000 0.876 460 N CB -0.439 38.074 38.487 0.042 0.000 0.972 460 N HN 0.653 nan 8.380 nan 0.000 0.434 461 R N -0.038 120.417 120.500 -0.076 0.000 2.325 461 R HA 0.158 4.508 4.340 0.017 0.000 0.214 461 R C 0.896 177.164 176.300 -0.053 0.000 0.961 461 R CA 0.432 56.495 56.100 -0.063 0.000 1.086 461 R CB -0.155 30.101 30.300 -0.073 0.000 1.037 461 R HN 0.459 nan 8.270 nan 0.000 0.493 462 G N 1.448 110.216 108.800 -0.053 0.000 2.253 462 G HA2 -0.344 3.627 3.960 0.017 0.000 0.251 462 G HA3 -0.344 3.627 3.960 0.017 0.000 0.251 462 G C 0.199 175.083 174.900 -0.026 0.000 0.998 462 G CA -0.149 44.928 45.100 -0.038 0.000 0.621 462 G HN 0.328 nan 8.290 nan 0.000 0.524 463 R N 1.092 121.579 120.500 -0.021 0.000 2.643 463 R HA 0.475 4.825 4.340 0.017 0.000 0.270 463 R C 0.601 176.951 176.300 0.084 0.000 1.061 463 R CA 0.923 57.046 56.100 0.039 0.000 1.107 463 R CB 0.241 30.584 30.300 0.072 0.000 0.999 463 R HN 0.769 nan 8.270 nan 0.000 0.460 464 Q N 0.470 120.264 119.800 -0.010 0.000 2.578 464 Q HA 0.503 4.853 4.340 0.017 0.000 0.284 464 Q C -1.641 174.069 176.000 -0.484 0.000 0.960 464 Q CA -1.247 54.371 55.803 -0.309 0.000 0.809 464 Q CB 2.344 30.975 28.738 -0.179 0.000 1.462 464 Q HN 0.469 nan 8.270 nan 0.000 0.392 465 K N 1.084 121.005 120.400 -0.799 0.000 2.616 465 K HA 0.390 4.720 4.320 0.017 0.000 0.255 465 K C -1.748 174.636 176.600 -0.360 0.000 0.995 465 K CA -0.565 55.431 56.287 -0.486 0.000 0.860 465 K CB 2.682 34.927 32.500 -0.426 0.000 1.264 465 K HN 0.413 nan 8.250 nan 0.000 0.451 466 V N 4.225 124.031 119.914 -0.180 0.000 2.294 466 V HA 0.212 4.342 4.120 0.017 0.000 0.272 466 V C 0.239 176.302 176.094 -0.052 0.000 1.027 466 V CA -0.717 61.524 62.300 -0.098 0.000 0.823 466 V CB 1.167 32.950 31.823 -0.067 0.000 1.030 466 V HN 0.561 nan 8.190 nan 0.000 0.457 467 V N 3.081 122.982 119.914 -0.022 0.000 3.262 467 V HA 0.789 4.919 4.120 0.017 0.000 0.313 467 V C 0.328 176.432 176.094 0.017 0.000 1.070 467 V CA -0.400 61.904 62.300 0.006 0.000 1.049 467 V CB 1.750 33.593 31.823 0.034 0.000 1.157 467 V HN 0.805 nan 8.190 nan 0.000 0.454 468 T N 1.258 115.825 114.554 0.022 0.000 2.771 468 T HA 0.780 5.140 4.350 0.017 0.000 0.281 468 T C -0.871 173.848 174.700 0.031 0.000 0.982 468 T CA -0.450 61.663 62.100 0.023 0.000 0.978 468 T CB 0.947 69.825 68.868 0.017 0.000 0.930 468 T HN 0.592 nan 8.240 nan 0.000 0.447 469 L N 3.267 124.508 121.223 0.031 0.000 2.410 469 L HA 0.647 4.998 4.340 0.017 0.000 0.270 469 L C 0.292 177.177 176.870 0.025 0.000 0.983 469 L CA -0.403 54.457 54.840 0.033 0.000 0.822 469 L CB 2.544 44.627 42.059 0.041 0.000 1.285 469 L HN 1.024 nan 8.230 nan 0.000 0.409 470 T N -2.240 112.327 114.554 0.022 0.000 2.885 470 T HA 0.611 4.971 4.350 0.017 0.000 0.285 470 T C -0.281 174.429 174.700 0.017 0.000 1.019 470 T CA -0.607 61.503 62.100 0.018 0.000 1.010 470 T CB 1.830 70.706 68.868 0.015 0.000 1.022 470 T HN 0.563 nan 8.240 nan 0.000 0.466 471 D N -1.038 119.371 120.400 0.014 0.000 3.077 471 D HA -0.142 4.508 4.640 0.017 0.000 0.212 471 D C 0.141 176.449 176.300 0.014 0.000 1.125 471 D CA 1.870 55.878 54.000 0.012 0.000 0.970 471 D CB -1.610 39.197 40.800 0.011 0.000 1.110 471 D HN 0.808 nan 8.370 nan 0.000 0.419 472 T N 0.184 114.748 114.554 0.018 0.000 2.817 472 T HA 0.469 4.829 4.350 0.017 0.000 0.293 472 T C 0.628 175.338 174.700 0.017 0.000 0.964 472 T CA 0.020 62.133 62.100 0.022 0.000 1.085 472 T CB 0.655 69.541 68.868 0.031 0.000 0.921 472 T HN 0.151 nan 8.240 nan 0.000 0.502 473 T N 4.700 119.262 114.554 0.015 0.000 2.788 473 T HA 0.197 4.558 4.350 0.017 0.000 0.287 473 T C 1.602 176.304 174.700 0.003 0.000 1.007 473 T CA -0.973 61.128 62.100 0.002 0.000 1.005 473 T CB 0.385 69.247 68.868 -0.010 0.000 1.012 473 T HN 0.564 nan 8.240 nan 0.000 0.530 474 N N 0.684 119.375 118.700 -0.014 0.000 2.025 474 N HA -0.133 4.617 4.740 0.017 0.000 0.194 474 N C 2.079 177.584 175.510 -0.008 0.000 1.044 474 N CA 1.495 54.540 53.050 -0.009 0.000 0.851 474 N CB -0.422 38.050 38.487 -0.024 0.000 1.036 474 N HN 0.622 nan 8.380 nan 0.000 0.422 475 Q N 0.301 120.055 119.800 -0.075 0.000 2.135 475 Q HA -0.080 4.270 4.340 0.017 0.000 0.204 475 Q C 1.750 177.807 176.000 0.095 0.000 0.981 475 Q CA 0.944 56.672 55.803 -0.124 0.000 0.856 475 Q CB -0.021 28.422 28.738 -0.493 0.000 0.902 475 Q HN 0.181 nan 8.270 nan 0.000 0.425 476 K N 0.228 120.670 120.400 0.071 0.000 2.432 476 K HA -0.029 4.301 4.320 0.017 0.000 0.196 476 K C 1.617 178.273 176.600 0.093 0.000 1.038 476 K CA 0.826 57.176 56.287 0.105 0.000 0.986 476 K CB 0.188 32.728 32.500 0.066 0.000 0.782 476 K HN 0.185 nan 8.250 nan 0.000 0.485 477 T N 0.796 115.398 114.554 0.080 0.000 2.851 477 T HA -0.049 4.312 4.350 0.017 0.000 0.262 477 T C 1.449 176.210 174.700 0.100 0.000 1.043 477 T CA 0.972 63.118 62.100 0.078 0.000 1.140 477 T CB 0.049 68.954 68.868 0.061 0.000 0.872 477 T HN 0.371 nan 8.240 nan 0.000 0.446 478 E N 1.314 121.587 120.200 0.120 0.000 2.038 478 E HA -0.088 4.272 4.350 0.017 0.000 0.195 478 E C 2.168 178.847 176.600 0.131 0.000 1.000 478 E CA 1.038 57.522 56.400 0.139 0.000 0.803 478 E CB -0.441 29.373 29.700 0.190 0.000 0.750 478 E HN 0.379 nan 8.360 nan 0.000 0.448 479 L N 1.043 122.350 121.223 0.139 0.000 2.187 479 L HA -0.227 4.123 4.340 0.017 0.000 0.213 479 L C 2.705 179.637 176.870 0.105 0.000 1.100 479 L CA 0.789 55.684 54.840 0.092 0.000 0.765 479 L CB -0.391 41.713 42.059 0.075 0.000 0.904 479 L HN 0.169 nan 8.230 nan 0.000 0.437 480 Q N -0.080 119.791 119.800 0.117 0.000 2.079 480 Q HA -0.167 4.183 4.340 0.017 0.000 0.200 480 Q C 2.416 178.525 176.000 0.182 0.000 0.974 480 Q CA 1.794 57.688 55.803 0.152 0.000 0.840 480 Q CB -0.239 28.572 28.738 0.121 0.000 0.898 480 Q HN 0.543 nan 8.270 nan 0.000 0.430 481 A N 1.212 124.121 122.820 0.147 0.000 1.849 481 A HA -0.216 4.115 4.320 0.017 0.000 0.217 481 A C 2.172 179.834 177.584 0.130 0.000 1.202 481 A CA 1.695 53.825 52.037 0.156 0.000 0.629 481 A CB -1.022 18.064 19.000 0.143 0.000 0.834 481 A HN 0.383 nan 8.150 nan 0.000 0.447 482 I N -1.878 118.746 120.570 0.091 0.000 2.185 482 I HA -0.329 3.851 4.170 0.017 0.000 0.246 482 I C 2.514 178.639 176.117 0.013 0.000 1.088 482 I CA 2.148 63.462 61.300 0.024 0.000 1.347 482 I CB -0.521 37.489 38.000 0.016 0.000 1.041 482 I HN 0.567 nan 8.210 nan 0.000 0.415 483 Y N 1.602 121.874 120.300 -0.046 0.000 2.128 483 Y HA -0.259 4.301 4.550 0.016 0.000 0.284 483 Y C 2.333 178.199 175.900 -0.057 0.000 1.154 483 Y CA 1.465 59.529 58.100 -0.060 0.000 1.149 483 Y CB -0.623 37.820 38.460 -0.029 0.000 0.976 483 Y HN 0.000 nan 8.280 nan 0.000 0.505 484 L N -0.231 120.941 121.223 -0.085 0.000 1.963 484 L HA -0.365 3.985 4.340 0.017 0.000 0.220 484 L C 2.804 179.527 176.870 -0.245 0.000 1.076 484 L CA 1.856 56.636 54.840 -0.100 0.000 0.772 484 L CB -1.217 40.963 42.059 0.202 0.000 0.892 484 L HN 0.343 nan 8.230 nan 0.000 0.435 485 A N -0.206 122.439 122.820 -0.293 0.000 1.896 485 A HA -0.290 4.040 4.320 0.017 0.000 0.220 485 A C 2.225 179.324 177.584 -0.808 0.000 1.206 485 A CA 2.327 53.914 52.037 -0.750 0.000 0.647 485 A CB -1.109 17.515 19.000 -0.627 0.000 0.828 485 A HN 0.435 nan 8.150 nan 0.000 0.455 486 L N -1.478 119.431 121.223 -0.523 0.000 2.042 486 L HA -0.285 4.065 4.340 0.017 0.000 0.210 486 L C 2.895 179.532 176.870 -0.388 0.000 1.076 486 L CA 1.958 56.546 54.840 -0.420 0.000 0.749 486 L CB -0.522 41.377 42.059 -0.266 0.000 0.893 486 L HN 0.579 nan 8.230 nan 0.000 0.432 487 Q N 0.228 119.760 119.800 -0.446 0.000 1.948 487 Q HA -0.231 4.119 4.340 0.017 0.000 0.205 487 Q C 1.621 177.490 176.000 -0.218 0.000 0.992 487 Q CA 2.172 57.755 55.803 -0.366 0.000 0.849 487 Q CB 0.043 28.512 28.738 -0.448 0.000 0.918 487 Q HN 0.397 nan 8.270 nan 0.000 0.421 488 D N 0.185 120.477 120.400 -0.181 0.000 2.378 488 D HA -0.044 4.606 4.640 0.017 0.000 0.222 488 D C 0.460 176.754 176.300 -0.011 0.000 0.980 488 D CA 0.691 54.664 54.000 -0.044 0.000 0.907 488 D CB -0.190 40.661 40.800 0.085 0.000 0.899 488 D HN 0.252 nan 8.370 nan 0.000 0.527 489 S N -0.620 114.984 115.700 -0.160 0.000 2.681 489 S HA 0.609 5.090 4.470 0.017 0.000 0.270 489 S C 0.770 175.347 174.600 -0.038 0.000 1.209 489 S CA -0.667 57.491 58.200 -0.070 0.000 0.988 489 S CB 1.798 64.741 63.200 -0.428 0.000 1.006 489 S HN 0.095 nan 8.310 nan 0.000 0.558 490 G N -0.610 108.201 108.800 0.018 0.000 2.525 490 G HA2 0.454 4.425 3.960 0.017 0.000 0.287 490 G HA3 0.454 4.425 3.960 0.017 0.000 0.287 490 G C 0.184 175.077 174.900 -0.012 0.000 1.350 490 G CA -0.891 44.216 45.100 0.010 0.000 1.039 490 G HN 0.542 nan 8.290 nan 0.000 0.513 491 L N -0.369 120.854 121.223 -0.001 0.000 2.633 491 L HA 0.158 4.508 4.340 0.017 0.000 0.235 491 L C 0.953 177.824 176.870 0.003 0.000 1.163 491 L CA 1.057 55.896 54.840 -0.002 0.000 0.859 491 L CB -0.793 41.270 42.059 0.008 0.000 0.973 491 L HN 0.446 nan 8.230 nan 0.000 0.451 492 E N -1.154 119.051 120.200 0.009 0.000 2.274 492 E HA 0.575 4.935 4.350 0.017 0.000 0.269 492 E C -1.301 175.317 176.600 0.031 0.000 0.891 492 E CA -0.379 56.034 56.400 0.021 0.000 0.784 492 E CB 2.346 32.063 29.700 0.030 0.000 1.225 492 E HN -0.112 nan 8.360 nan 0.000 0.412 493 V N 0.431 120.356 119.914 0.018 0.000 3.078 493 V HA 0.620 4.750 4.120 0.017 0.000 0.311 493 V C -0.610 175.529 176.094 0.074 0.000 1.138 493 V CA -1.163 61.155 62.300 0.029 0.000 1.007 493 V CB 2.302 34.043 31.823 -0.136 0.000 1.045 493 V HN 0.510 nan 8.190 nan 0.000 0.432 494 N N 1.390 120.165 118.700 0.125 0.000 2.314 494 N HA 0.759 5.509 4.740 0.017 0.000 0.294 494 N C -1.352 174.217 175.510 0.099 0.000 1.029 494 N CA -0.297 52.855 53.050 0.171 0.000 0.845 494 N CB 2.351 40.936 38.487 0.162 0.000 1.321 494 N HN 0.755 nan 8.380 nan 0.000 0.481 495 I N 1.571 122.159 120.570 0.030 0.000 2.478 495 I HA 0.326 4.506 4.170 0.017 0.000 0.287 495 I C -0.665 175.392 176.117 -0.101 0.000 1.042 495 I CA -0.931 60.338 61.300 -0.052 0.000 1.067 495 I CB 2.206 40.142 38.000 -0.106 0.000 1.233 495 I HN -0.022 nan 8.210 nan 0.000 0.431 496 V N 4.586 124.394 119.914 -0.177 0.000 2.435 496 V HA 0.630 4.760 4.120 0.017 0.000 0.290 496 V C -0.006 176.028 176.094 -0.101 0.000 1.030 496 V CA -0.294 61.883 62.300 -0.205 0.000 0.881 496 V CB 1.721 33.258 31.823 -0.476 0.000 0.983 496 V HN 0.810 nan 8.190 nan 0.000 0.445 497 T N 1.471 115.998 114.554 -0.045 0.000 2.868 497 T HA 0.351 4.711 4.350 0.017 0.000 0.306 497 T C -0.056 174.626 174.700 -0.031 0.000 1.224 497 T CA -0.341 61.766 62.100 0.010 0.000 1.012 497 T CB 1.882 70.787 68.868 0.062 0.000 1.221 497 T HN 0.850 nan 8.240 nan 0.000 0.499 498 D N 0.952 121.335 120.400 -0.029 0.000 2.379 498 D HA 0.111 4.761 4.640 0.017 0.000 0.208 498 D C 0.728 177.194 176.300 0.276 0.000 1.065 498 D CA -0.094 53.817 54.000 -0.148 0.000 0.848 498 D CB 0.111 40.840 40.800 -0.119 0.000 0.949 498 D HN 0.292 nan 8.370 nan 0.000 0.509 499 S N 0.869 116.750 115.700 0.303 0.000 2.430 499 S HA 0.044 4.524 4.470 0.017 0.000 0.282 499 S C 1.305 176.128 174.600 0.372 0.000 1.186 499 S CA -0.492 57.903 58.200 0.325 0.000 1.060 499 S CB 0.814 64.159 63.200 0.241 0.000 0.966 499 S HN 0.233 nan 8.310 nan 0.000 0.501 500 Q N 4.646 124.623 119.800 0.295 0.000 2.172 500 Q HA -0.132 4.218 4.340 0.017 0.000 0.200 500 Q C 1.431 177.457 176.000 0.045 0.000 0.964 500 Q CA 1.006 56.796 55.803 -0.022 0.000 0.855 500 Q CB -0.520 28.106 28.738 -0.186 0.000 0.918 500 Q HN 0.880 nan 8.270 nan 0.000 0.444 501 Y N 2.508 122.818 120.300 0.015 0.000 2.006 501 Y HA -0.294 4.266 4.550 0.018 0.000 0.266 501 Y C 2.596 178.510 175.900 0.023 0.000 1.133 501 Y CA 1.795 59.906 58.100 0.018 0.000 1.098 501 Y CB -0.977 37.507 38.460 0.039 0.000 0.969 501 Y HN 0.123 nan 8.280 nan 0.000 0.482 502 A N 1.050 123.773 122.820 -0.163 0.000 1.884 502 A HA -0.285 4.045 4.320 0.017 0.000 0.219 502 A C 2.480 179.964 177.584 -0.167 0.000 1.197 502 A CA 2.224 54.102 52.037 -0.265 0.000 0.637 502 A CB -1.612 17.366 19.000 -0.036 0.000 0.827 502 A HN 0.742 nan 8.150 nan 0.000 0.450 503 L N -0.635 120.557 121.223 -0.051 0.000 1.978 503 L HA -0.221 4.129 4.340 0.017 0.000 0.218 503 L C 2.534 179.363 176.870 -0.070 0.000 1.075 503 L CA 2.278 57.093 54.840 -0.041 0.000 0.767 503 L CB -0.874 41.177 42.059 -0.013 0.000 0.890 503 L HN 0.438 nan 8.230 nan 0.000 0.434 504 G N 0.002 108.749 108.800 -0.089 0.000 2.514 504 G HA2 -0.326 3.644 3.960 0.017 0.000 0.217 504 G HA3 -0.326 3.644 3.960 0.017 0.000 0.217 504 G C 1.499 176.382 174.900 -0.029 0.000 1.198 504 G CA 1.325 46.391 45.100 -0.057 0.000 0.780 504 G HN 0.485 nan 8.290 nan 0.000 0.565 505 I N 0.684 121.167 120.570 -0.144 0.000 2.087 505 I HA -0.260 3.920 4.170 0.017 0.000 0.240 505 I C 2.789 178.865 176.117 -0.068 0.000 1.054 505 I CA 1.458 62.658 61.300 -0.167 0.000 1.311 505 I CB -0.293 37.438 38.000 -0.447 0.000 1.024 505 I HN 0.197 nan 8.210 nan 0.000 0.402 506 I N -0.157 120.366 120.570 -0.077 0.000 2.315 506 I HA -0.268 3.913 4.170 0.017 0.000 0.248 506 I C 2.469 178.643 176.117 0.096 0.000 1.117 506 I CA 1.160 62.467 61.300 0.012 0.000 1.404 506 I CB -0.486 37.497 38.000 -0.027 0.000 1.071 506 I HN 0.344 nan 8.210 nan 0.000 0.419 507 Q N 0.684 120.518 119.800 0.056 0.000 2.291 507 Q HA -0.123 4.228 4.340 0.017 0.000 0.206 507 Q C 2.182 178.260 176.000 0.129 0.000 0.976 507 Q CA 1.291 57.138 55.803 0.074 0.000 0.875 507 Q CB -0.089 28.667 28.738 0.031 0.000 0.927 507 Q HN 0.553 nan 8.270 nan 0.000 0.450 508 A N 0.398 123.328 122.820 0.184 0.000 2.235 508 A HA -0.084 4.247 4.320 0.017 0.000 0.208 508 A C 0.351 178.128 177.584 0.322 0.000 1.172 508 A CA 0.066 52.274 52.037 0.286 0.000 0.786 508 A CB -0.003 19.205 19.000 0.345 0.000 0.804 508 A HN 0.401 nan 8.150 nan 0.000 0.479 509 Q N -0.923 119.022 119.800 0.241 0.000 2.443 509 Q HA -0.139 4.211 4.340 0.017 0.000 0.337 509 Q C -2.257 173.808 176.000 0.109 0.000 1.401 509 Q CA 0.448 56.356 55.803 0.175 0.000 0.943 509 Q CB -1.649 27.098 28.738 0.016 0.000 1.177 509 Q HN 0.617 nan 8.270 nan 0.000 0.394 510 P HA 0.012 nan 4.420 nan 0.000 0.274 510 P C -0.185 177.186 177.300 0.118 0.000 1.237 510 P CA 0.266 63.427 63.100 0.102 0.000 0.793 510 P CB 0.757 32.528 31.700 0.119 0.000 0.977 511 D N -1.717 118.694 120.400 0.018 0.000 2.520 511 D HA 0.057 4.708 4.640 0.017 0.000 0.223 511 D C 0.281 176.512 176.300 -0.115 0.000 1.186 511 D CA 0.082 54.049 54.000 -0.054 0.000 0.821 511 D CB 0.150 40.847 40.800 -0.171 0.000 1.072 511 D HN 0.502 nan 8.370 nan 0.000 0.518 512 Q N -0.987 118.791 119.800 -0.037 0.000 2.418 512 Q HA 0.689 5.039 4.340 0.017 0.000 0.282 512 Q C -1.384 174.643 176.000 0.046 0.000 1.044 512 Q CA -1.007 54.778 55.803 -0.030 0.000 0.813 512 Q CB 2.274 30.997 28.738 -0.026 0.000 1.428 512 Q HN -0.053 nan 8.270 nan 0.000 0.402 513 S N -0.218 115.512 115.700 0.050 0.000 2.550 513 S HA 0.241 4.722 4.470 0.017 0.000 0.270 513 S C -0.207 174.443 174.600 0.084 0.000 1.145 513 S CA -0.474 57.811 58.200 0.141 0.000 0.852 513 S CB 1.867 65.171 63.200 0.174 0.000 1.119 513 S HN 0.672 nan 8.310 nan 0.000 0.465 514 E N 1.248 121.501 120.200 0.089 0.000 2.158 514 E HA 0.032 4.393 4.350 0.017 0.000 0.191 514 E C 0.806 177.437 176.600 0.052 0.000 0.982 514 E CA 0.526 56.947 56.400 0.036 0.000 0.823 514 E CB -0.168 29.529 29.700 -0.005 0.000 0.766 514 E HN 0.478 nan 8.360 nan 0.000 0.468 515 S N 0.756 116.521 115.700 0.108 0.000 2.545 515 S HA 0.033 4.514 4.470 0.017 0.000 0.275 515 S C 1.019 175.628 174.600 0.016 0.000 1.299 515 S CA -0.408 57.840 58.200 0.078 0.000 1.048 515 S CB 1.635 64.915 63.200 0.133 0.000 0.938 515 S HN 0.103 nan 8.310 nan 0.000 0.496 516 E N 3.733 123.923 120.200 -0.017 0.000 2.072 516 E HA -0.086 4.274 4.350 0.017 0.000 0.190 516 E C 1.790 178.319 176.600 -0.117 0.000 0.982 516 E CA 0.598 56.962 56.400 -0.059 0.000 0.803 516 E CB -0.104 29.561 29.700 -0.057 0.000 0.755 516 E HN 0.839 nan 8.360 nan 0.000 0.453 517 L N 0.760 121.911 121.223 -0.120 0.000 1.990 517 L HA -0.235 4.116 4.340 0.017 0.000 0.213 517 L C 2.535 179.268 176.870 -0.228 0.000 1.072 517 L CA 1.368 56.083 54.840 -0.208 0.000 0.755 517 L CB -0.384 41.602 42.059 -0.122 0.000 0.889 517 L HN 0.099 nan 8.230 nan 0.000 0.432 518 V N 0.329 120.161 119.914 -0.137 0.000 2.219 518 V HA -0.390 3.740 4.120 0.017 0.000 0.248 518 V C 2.286 178.296 176.094 -0.140 0.000 1.053 518 V CA 2.331 64.545 62.300 -0.144 0.000 1.009 518 V CB -0.901 30.837 31.823 -0.141 0.000 0.636 518 V HN 0.551 nan 8.190 nan 0.000 0.445 519 N N -0.099 118.535 118.700 -0.109 0.000 2.096 519 N HA -0.275 4.475 4.740 0.017 0.000 0.195 519 N C 1.879 177.307 175.510 -0.137 0.000 1.017 519 N CA 2.091 55.076 53.050 -0.109 0.000 0.870 519 N CB -0.311 38.122 38.487 -0.090 0.000 1.024 519 N HN 0.668 nan 8.380 nan 0.000 0.434 520 Q N 0.342 120.021 119.800 -0.201 0.000 2.084 520 Q HA -0.053 4.297 4.340 0.017 0.000 0.202 520 Q C 2.285 178.220 176.000 -0.108 0.000 0.978 520 Q CA 0.929 56.589 55.803 -0.238 0.000 0.844 520 Q CB -0.115 28.247 28.738 -0.627 0.000 0.898 520 Q HN 0.464 nan 8.270 nan 0.000 0.426 521 I N 0.850 121.332 120.570 -0.147 0.000 2.179 521 I HA -0.279 3.901 4.170 0.017 0.000 0.242 521 I C 2.324 178.381 176.117 -0.101 0.000 1.088 521 I CA 1.121 62.417 61.300 -0.006 0.000 1.357 521 I CB -0.357 37.610 38.000 -0.054 0.000 1.051 521 I HN 0.198 nan 8.210 nan 0.000 0.409 522 I N 0.573 121.059 120.570 -0.141 0.000 2.208 522 I HA -0.304 3.876 4.170 0.017 0.000 0.245 522 I C 2.526 178.546 176.117 -0.161 0.000 1.097 522 I CA 1.446 62.637 61.300 -0.182 0.000 1.363 522 I CB -0.439 37.504 38.000 -0.096 0.000 1.051 522 I HN 0.240 nan 8.210 nan 0.000 0.413 523 E N 0.597 120.739 120.200 -0.096 0.000 2.110 523 E HA -0.218 4.142 4.350 0.017 0.000 0.193 523 E C 2.230 178.808 176.600 -0.035 0.000 0.988 523 E CA 1.180 57.548 56.400 -0.053 0.000 0.804 523 E CB 0.022 29.707 29.700 -0.024 0.000 0.745 523 E HN 0.348 nan 8.360 nan 0.000 0.458 524 Q N -0.028 119.754 119.800 -0.031 0.000 1.993 524 Q HA -0.134 4.216 4.340 0.017 0.000 0.202 524 Q C 2.483 178.415 176.000 -0.112 0.000 0.984 524 Q CA 1.152 56.926 55.803 -0.048 0.000 0.837 524 Q CB -0.585 28.133 28.738 -0.034 0.000 0.902 524 Q HN 0.367 nan 8.270 nan 0.000 0.423 525 L N 0.398 121.486 121.223 -0.224 0.000 1.997 525 L HA -0.262 4.088 4.340 0.017 0.000 0.216 525 L C 2.491 179.237 176.870 -0.207 0.000 1.074 525 L CA 1.332 55.950 54.840 -0.369 0.000 0.763 525 L CB -0.677 40.825 42.059 -0.928 0.000 0.890 525 L HN 0.215 nan 8.230 nan 0.000 0.434 526 I N -0.679 119.826 120.570 -0.109 0.000 2.286 526 I HA -0.259 3.922 4.170 0.017 0.000 0.248 526 I C 2.481 178.661 176.117 0.104 0.000 1.115 526 I CA 0.972 62.353 61.300 0.134 0.000 1.392 526 I CB -0.364 37.786 38.000 0.250 0.000 1.065 526 I HN 0.225 nan 8.210 nan 0.000 0.418 527 K N 1.147 121.572 120.400 0.041 0.000 2.148 527 K HA -0.009 4.321 4.320 0.017 0.000 0.204 527 K C 0.844 177.458 176.600 0.023 0.000 1.050 527 K CA 0.800 57.110 56.287 0.037 0.000 0.942 527 K CB -0.325 32.184 32.500 0.014 0.000 0.724 527 K HN 0.256 nan 8.250 nan 0.000 0.446 528 K N 1.306 121.705 120.400 -0.001 0.000 2.234 528 K HA -0.017 4.313 4.320 0.017 0.000 0.251 528 K C 1.272 177.891 176.600 0.031 0.000 1.011 528 K CA 0.133 56.419 56.287 -0.001 0.000 0.889 528 K CB 0.500 32.983 32.500 -0.028 0.000 1.011 528 K HN -0.037 nan 8.250 nan 0.000 0.505 529 E N 1.169 121.385 120.200 0.027 0.000 2.099 529 E HA 0.038 4.398 4.350 0.017 0.000 0.191 529 E C -0.220 176.410 176.600 0.048 0.000 0.962 529 E CA 1.074 57.497 56.400 0.038 0.000 0.826 529 E CB 0.425 30.142 29.700 0.027 0.000 0.788 529 E HN 0.371 nan 8.360 nan 0.000 0.461 530 K N 0.232 120.658 120.400 0.044 0.000 2.553 530 K HA 0.465 4.796 4.320 0.017 0.000 0.250 530 K C -1.359 175.277 176.600 0.059 0.000 0.953 530 K CA -0.356 55.967 56.287 0.060 0.000 0.800 530 K CB 3.104 35.635 32.500 0.052 0.000 1.243 530 K HN -0.218 nan 8.250 nan 0.000 0.435 531 V N 2.986 122.949 119.914 0.082 0.000 2.709 531 V HA 0.394 4.524 4.120 0.017 0.000 0.308 531 V C -1.545 174.635 176.094 0.142 0.000 1.062 531 V CA -0.889 61.452 62.300 0.069 0.000 0.901 531 V CB 1.684 33.508 31.823 0.002 0.000 1.003 531 V HN 0.707 nan 8.190 nan 0.000 0.425 532 Y N 4.925 125.219 120.300 -0.009 0.000 2.350 532 Y HA 0.744 5.304 4.550 0.016 0.000 0.338 532 Y C -1.072 174.821 175.900 -0.011 0.000 0.961 532 Y CA -0.745 57.355 58.100 0.001 0.000 1.100 532 Y CB 1.653 40.115 38.460 0.003 0.000 1.179 532 Y HN 0.570 nan 8.280 nan 0.000 0.454 533 L N 5.712 126.572 121.223 -0.605 0.000 2.341 533 L HA 0.924 5.274 4.340 0.017 0.000 0.278 533 L C -0.742 175.758 176.870 -0.615 0.000 1.005 533 L CA -0.672 53.906 54.840 -0.437 0.000 0.818 533 L CB 1.600 43.525 42.059 -0.223 0.000 1.259 533 L HN 0.834 nan 8.230 nan 0.000 0.418 534 A N 2.924 125.554 122.820 -0.316 0.000 2.479 534 A HA 0.690 5.020 4.320 0.017 0.000 0.296 534 A C -2.209 175.410 177.584 0.057 0.000 1.121 534 A CA -0.470 51.483 52.037 -0.140 0.000 0.743 534 A CB 1.462 20.454 19.000 -0.014 0.000 1.323 534 A HN 0.745 nan 8.150 nan 0.000 0.415 535 W N 1.081 122.341 121.300 -0.066 0.000 2.761 535 W HA 0.634 5.304 4.660 0.017 0.000 0.340 535 W C -1.165 175.358 176.519 0.006 0.000 1.072 535 W CA -0.491 56.837 57.345 -0.028 0.000 1.215 535 W CB 1.936 31.380 29.460 -0.027 0.000 1.420 535 W HN 1.062 nan 8.180 nan 0.000 0.519 536 V N 3.242 122.558 119.914 -0.996 0.000 2.932 536 V HA 0.660 4.790 4.120 0.017 0.000 0.307 536 V C -2.655 172.579 176.094 -1.432 0.000 1.147 536 V CA -2.643 59.046 62.300 -1.019 0.000 0.951 536 V CB 1.315 32.908 31.823 -0.384 0.000 1.031 536 V HN 0.557 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 62.728 63.100 -0.620 0.000 0.800 537 P CB 0.000 31.537 31.700 -0.271 0.000 0.726