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 2be2_1_B DATA FIRST_RESID 4 DATA SEQUENCE PIETVPVKLK PGMDGPKVKQ WPLTEEKIKA LVEICTEMEK EGKISKIGPE DATA SEQUENCE NPYNTPVFAI KKKDSTKWRK LVDFRELNKR TQDFWEVQLG IPHPAGLKKK DATA SEQUENCE KSVTVLDVGD AYFSVPLDED FRKYTAFTIP SINNETPGIR YQYNVLPQGW DATA SEQUENCE KGSPAIFQSS MTKILEPFKK QNPDIVIYQY MDDLYVGSDL EIGQHRTKIE DATA SEQUENCE ELRQHLLRWG LTTPDKKHQK EPPFLWMGYE LHPDKWTVQP IVLPEKDSWT DATA SEQUENCE VNDIQKLVGK LNWASQIYPG IKVRQLSKLL RGTKALTEVI PLTEEAELEL DATA SEQUENCE AENREILKEP VHGVYYDPSK DLIAEIQKQG QGQWTYQIYQ EPFKNLKTGK DATA SEQUENCE YARMRGAHTN DVKQLTEAVQ KITTESIVIW GKTPKFKLPI QKETWETWWT DATA SEQUENCE EYWQATWIPE WEFVNTPPLV KLWYQL 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 0.000 177.320 177.300 0.033 0.000 1.155 4 P CA 0.000 63.116 63.100 0.027 0.000 0.800 4 P CB 0.000 31.715 31.700 0.024 0.000 0.726 5 I N 2.326 122.918 120.570 0.036 0.000 2.377 5 I HA 0.135 4.304 4.170 -0.001 0.000 0.282 5 I C 0.820 176.966 176.117 0.047 0.000 1.091 5 I CA -0.537 60.790 61.300 0.045 0.000 1.207 5 I CB 0.693 38.721 38.000 0.045 0.000 1.429 5 I HN 0.406 nan 8.210 nan 0.000 0.491 6 E N 4.727 124.956 120.200 0.048 0.000 1.775 6 E HA 0.105 4.454 4.350 -0.001 0.000 0.266 6 E C -0.192 176.445 176.600 0.061 0.000 1.191 6 E CA -0.497 55.931 56.400 0.046 0.000 1.048 6 E CB -0.088 29.635 29.700 0.038 0.000 1.081 6 E HN 0.538 nan 8.360 nan 0.000 0.434 7 T N -0.518 114.074 114.554 0.065 0.000 2.882 7 T HA 0.321 4.670 4.350 -0.001 0.000 0.287 7 T C 0.215 174.960 174.700 0.075 0.000 0.992 7 T CA -0.875 61.276 62.100 0.084 0.000 1.076 7 T CB 1.653 70.575 68.868 0.090 0.000 0.961 7 T HN 0.193 nan 8.240 nan 0.000 0.490 8 V N 5.384 125.355 119.914 0.096 0.000 2.432 8 V HA 0.291 4.411 4.120 -0.001 0.000 0.271 8 V C -1.996 174.133 176.094 0.058 0.000 1.046 8 V CA -1.814 60.531 62.300 0.075 0.000 0.945 8 V CB 0.688 32.585 31.823 0.124 0.000 0.992 8 V HN 0.837 nan 8.190 nan 0.000 0.471 9 P HA 0.118 nan 4.420 nan 0.000 0.261 9 P C -0.784 176.457 177.300 -0.100 0.000 1.183 9 P CA 0.388 63.476 63.100 -0.020 0.000 0.761 9 P CB 0.456 32.130 31.700 -0.045 0.000 0.785 10 V N 4.273 124.168 119.914 -0.031 0.000 2.823 10 V HA 0.650 4.769 4.120 -0.001 0.000 0.312 10 V C -0.013 176.114 176.094 0.055 0.000 1.072 10 V CA -0.627 61.610 62.300 -0.104 0.000 0.937 10 V CB 2.402 34.127 31.823 -0.165 0.000 1.013 10 V HN 0.550 nan 8.190 nan 0.000 0.430 11 K N 3.247 123.719 120.400 0.120 0.000 2.495 11 K HA 0.663 4.983 4.320 -0.001 0.000 0.268 11 K C -1.493 175.381 176.600 0.458 0.000 1.008 11 K CA -0.715 55.765 56.287 0.321 0.000 0.882 11 K CB 2.005 34.634 32.500 0.215 0.000 1.443 11 K HN 0.497 nan 8.250 nan 0.000 0.447 12 L N 0.768 122.177 121.223 0.310 0.000 2.448 12 L HA 0.425 4.764 4.340 -0.001 0.000 0.258 12 L C 0.719 177.559 176.870 -0.050 0.000 1.104 12 L CA -1.121 53.812 54.840 0.155 0.000 0.800 12 L CB 0.445 42.430 42.059 -0.123 0.000 1.241 12 L HN 0.506 nan 8.230 nan 0.000 0.472 13 K N 0.870 121.096 120.400 -0.291 0.000 2.436 13 K HA 0.128 4.447 4.320 -0.001 0.000 0.275 13 K C -2.259 174.168 176.600 -0.288 0.000 0.999 13 K CA -1.380 54.552 56.287 -0.593 0.000 0.980 13 K CB 0.105 32.315 32.500 -0.483 0.000 0.919 13 K HN 0.239 nan 8.250 nan 0.000 0.484 14 P HA -0.110 nan 4.420 nan 0.000 0.263 14 P C 0.194 177.443 177.300 -0.085 0.000 1.175 14 P CA 0.953 63.984 63.100 -0.115 0.000 0.761 14 P CB 0.381 32.025 31.700 -0.094 0.000 0.794 15 G N 2.002 110.776 108.800 -0.044 0.000 2.249 15 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.273 15 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.273 15 G C -0.075 174.806 174.900 -0.031 0.000 1.036 15 G CA -0.056 45.027 45.100 -0.027 0.000 0.824 15 G HN 0.481 nan 8.290 nan 0.000 0.504 16 M N -0.492 119.082 119.600 -0.044 0.000 2.457 16 M HA 0.466 4.946 4.480 -0.001 0.000 0.300 16 M C -0.834 175.438 176.300 -0.047 0.000 1.141 16 M CA -0.820 54.451 55.300 -0.048 0.000 0.901 16 M CB 2.034 34.584 32.600 -0.082 0.000 1.687 16 M HN 0.154 nan 8.290 nan 0.000 0.449 17 D N 0.856 121.247 120.400 -0.015 0.000 2.384 17 D HA 0.609 5.248 4.640 -0.001 0.000 0.250 17 D C 0.109 176.370 176.300 -0.065 0.000 1.029 17 D CA 0.036 54.051 54.000 0.023 0.000 0.990 17 D CB 1.612 42.502 40.800 0.151 0.000 1.175 17 D HN 0.679 nan 8.370 nan 0.000 0.532 18 G N 0.503 109.212 108.800 -0.153 0.000 2.732 18 G HA2 0.268 4.227 3.960 -0.001 0.000 0.244 18 G HA3 0.268 4.227 3.960 -0.001 0.000 0.244 18 G C -2.182 172.764 174.900 0.076 0.000 1.226 18 G CA -0.723 44.136 45.100 -0.402 0.000 0.860 18 G HN 0.472 nan 8.290 nan 0.000 0.583 19 P HA 0.305 nan 4.420 nan 0.000 0.282 19 P C -1.019 176.443 177.300 0.271 0.000 1.249 19 P CA -0.332 62.869 63.100 0.168 0.000 0.806 19 P CB 1.385 33.170 31.700 0.140 0.000 0.984 20 K N 1.640 122.145 120.400 0.174 0.000 3.029 20 K HA 0.342 4.661 4.320 -0.001 0.000 0.169 20 K C -0.803 175.828 176.600 0.053 0.000 1.090 20 K CA -0.489 55.868 56.287 0.117 0.000 0.883 20 K CB 1.151 33.695 32.500 0.075 0.000 1.080 20 K HN 0.208 nan 8.250 nan 0.000 0.613 21 V N 1.532 121.478 119.914 0.053 0.000 2.472 21 V HA 0.250 4.370 4.120 -0.001 0.000 0.290 21 V C 0.302 176.360 176.094 -0.060 0.000 1.037 21 V CA -0.850 61.452 62.300 0.003 0.000 0.908 21 V CB 1.620 33.469 31.823 0.044 0.000 0.985 21 V HN 0.407 nan 8.190 nan 0.000 0.454 22 K N 2.776 123.086 120.400 -0.149 0.000 2.270 22 K HA 0.255 4.574 4.320 -0.001 0.000 0.276 22 K C -0.039 176.371 176.600 -0.316 0.000 1.023 22 K CA -0.476 55.682 56.287 -0.215 0.000 0.955 22 K CB 0.814 33.158 32.500 -0.261 0.000 0.975 22 K HN 0.696 nan 8.250 nan 0.000 0.471 23 Q N 3.343 123.015 119.800 -0.214 0.000 2.332 23 Q HA 0.093 4.432 4.340 -0.001 0.000 0.263 23 Q C -1.535 174.342 176.000 -0.205 0.000 0.979 23 Q CA 0.203 55.900 55.803 -0.176 0.000 0.885 23 Q CB 0.446 29.136 28.738 -0.080 0.000 1.218 23 Q HN 0.397 nan 8.270 nan 0.000 0.405 24 W N 5.594 126.839 121.300 -0.092 0.000 2.202 24 W HA 0.351 5.010 4.660 -0.001 0.000 0.332 24 W C -1.730 174.757 176.519 -0.053 0.000 1.263 24 W CA -1.778 55.553 57.345 -0.023 0.000 1.223 24 W CB 0.140 29.644 29.460 0.074 0.000 1.128 24 W HN 0.570 nan 8.180 nan 0.000 0.573 25 P HA 0.185 nan 4.420 nan 0.000 0.271 25 P C -0.883 176.452 177.300 0.057 0.000 1.216 25 P CA 0.232 63.377 63.100 0.076 0.000 0.776 25 P CB 1.041 32.770 31.700 0.048 0.000 0.881 26 L N 1.517 122.739 121.223 -0.002 0.000 2.341 26 L HA 0.415 4.754 4.340 -0.001 0.000 0.267 26 L C 0.899 177.724 176.870 -0.076 0.000 1.009 26 L CA -0.875 53.937 54.840 -0.047 0.000 0.819 26 L CB 1.741 43.762 42.059 -0.065 0.000 1.323 26 L HN 0.246 nan 8.230 nan 0.000 0.425 27 T N -0.018 114.474 114.554 -0.104 0.000 2.932 27 T HA -0.061 4.288 4.350 -0.001 0.000 0.312 27 T C 1.160 175.798 174.700 -0.103 0.000 1.071 27 T CA 0.057 62.100 62.100 -0.095 0.000 1.128 27 T CB 0.928 69.741 68.868 -0.092 0.000 0.984 27 T HN 0.752 nan 8.240 nan 0.000 0.549 28 E N 1.518 121.673 120.200 -0.075 0.000 2.171 28 E HA -0.242 4.107 4.350 -0.001 0.000 0.197 28 E C 1.961 178.497 176.600 -0.107 0.000 0.997 28 E CA 1.589 57.944 56.400 -0.075 0.000 0.810 28 E CB 0.050 29.722 29.700 -0.046 0.000 0.738 28 E HN 0.813 nan 8.360 nan 0.000 0.467 29 E N 0.554 120.689 120.200 -0.109 0.000 2.051 29 E HA -0.228 4.121 4.350 -0.001 0.000 0.192 29 E C 1.861 178.239 176.600 -0.371 0.000 0.991 29 E CA 1.338 57.654 56.400 -0.140 0.000 0.799 29 E CB 0.061 29.743 29.700 -0.030 0.000 0.748 29 E HN 0.201 nan 8.360 nan 0.000 0.449 30 K N 0.197 120.340 120.400 -0.428 0.000 2.155 30 K HA -0.044 4.275 4.320 -0.001 0.000 0.203 30 K C 2.265 178.614 176.600 -0.419 0.000 1.052 30 K CA 0.986 56.892 56.287 -0.634 0.000 0.948 30 K CB -0.022 32.211 32.500 -0.446 0.000 0.728 30 K HN 0.275 nan 8.250 nan 0.000 0.448 31 I N 1.441 121.859 120.570 -0.254 0.000 2.252 31 I HA -0.269 3.900 4.170 -0.001 0.000 0.245 31 I C 2.110 178.130 176.117 -0.162 0.000 1.102 31 I CA 1.355 62.556 61.300 -0.165 0.000 1.385 31 I CB -0.195 37.742 38.000 -0.106 0.000 1.064 31 I HN 0.132 nan 8.210 nan 0.000 0.414 32 K N 0.867 121.162 120.400 -0.175 0.000 2.147 32 K HA -0.135 4.185 4.320 -0.001 0.000 0.205 32 K C 2.235 178.736 176.600 -0.165 0.000 1.049 32 K CA 1.390 57.597 56.287 -0.133 0.000 0.936 32 K CB -0.180 32.261 32.500 -0.099 0.000 0.722 32 K HN 0.309 nan 8.250 nan 0.000 0.446 33 A N 1.367 123.990 122.820 -0.328 0.000 1.873 33 A HA -0.127 4.192 4.320 -0.001 0.000 0.215 33 A C 2.100 179.566 177.584 -0.197 0.000 1.186 33 A CA 1.173 52.985 52.037 -0.375 0.000 0.616 33 A CB -0.635 17.744 19.000 -1.035 0.000 0.823 33 A HN 0.144 nan 8.150 nan 0.000 0.442 34 L N -0.438 120.664 121.223 -0.201 0.000 2.042 34 L HA -0.181 4.158 4.340 -0.001 0.000 0.210 34 L C 2.555 179.409 176.870 -0.026 0.000 1.076 34 L CA 1.185 55.973 54.840 -0.087 0.000 0.749 34 L CB -0.663 41.356 42.059 -0.066 0.000 0.893 34 L HN 0.248 nan 8.230 nan 0.000 0.432 35 V N -0.042 119.856 119.914 -0.027 0.000 2.332 35 V HA -0.307 3.812 4.120 -0.001 0.000 0.248 35 V C 2.414 178.514 176.094 0.011 0.000 1.055 35 V CA 1.925 64.234 62.300 0.016 0.000 1.038 35 V CB -0.501 31.323 31.823 0.000 0.000 0.651 35 V HN 0.480 nan 8.190 nan 0.000 0.450 36 E N -0.104 120.090 120.200 -0.009 0.000 2.017 36 E HA -0.205 4.144 4.350 -0.001 0.000 0.193 36 E C 2.218 178.822 176.600 0.006 0.000 0.997 36 E CA 1.694 58.097 56.400 0.005 0.000 0.804 36 E CB -0.266 29.441 29.700 0.013 0.000 0.757 36 E HN 0.532 nan 8.360 nan 0.000 0.448 37 I N 0.969 121.543 120.570 0.006 0.000 2.194 37 I HA -0.358 3.811 4.170 -0.001 0.000 0.246 37 I C 2.511 178.607 176.117 -0.034 0.000 1.093 37 I CA 0.902 62.209 61.300 0.010 0.000 1.355 37 I CB -0.337 37.677 38.000 0.024 0.000 1.046 37 I HN 0.273 nan 8.210 nan 0.000 0.413 38 C N -0.040 119.218 119.300 -0.069 0.000 2.457 38 C HA -0.104 4.355 4.460 -0.001 0.000 0.278 38 C C 2.986 177.877 174.990 -0.165 0.000 1.309 38 C CA 1.174 60.063 59.018 -0.214 0.000 1.735 38 C CB -1.002 26.548 27.740 -0.316 0.000 1.992 38 C HN 0.497 nan 8.230 nan 0.000 0.493 39 T N 1.039 115.575 114.554 -0.029 0.000 2.759 39 T HA -0.155 4.194 4.350 -0.001 0.000 0.269 39 T C 1.693 176.387 174.700 -0.010 0.000 1.042 39 T CA 1.470 63.581 62.100 0.018 0.000 1.140 39 T CB -0.228 68.659 68.868 0.031 0.000 0.864 39 T HN 0.568 nan 8.240 nan 0.000 0.455 40 E N 0.919 121.108 120.200 -0.019 0.000 2.051 40 E HA 0.092 4.441 4.350 -0.001 0.000 0.189 40 E C 2.219 178.799 176.600 -0.034 0.000 0.979 40 E CA 0.721 57.114 56.400 -0.011 0.000 0.803 40 E CB -0.460 29.245 29.700 0.009 0.000 0.761 40 E HN 0.519 nan 8.360 nan 0.000 0.451 41 M N 0.723 120.280 119.600 -0.072 0.000 2.202 41 M HA -0.192 4.288 4.480 -0.001 0.000 0.262 41 M C 2.292 178.505 176.300 -0.144 0.000 1.063 41 M CA 1.408 56.633 55.300 -0.124 0.000 1.097 41 M CB -0.186 32.294 32.600 -0.199 0.000 1.382 41 M HN 0.108 nan 8.290 nan 0.000 0.413 42 E N 0.803 120.925 120.200 -0.129 0.000 2.046 42 E HA -0.231 4.118 4.350 -0.001 0.000 0.190 42 E C 1.985 178.567 176.600 -0.029 0.000 0.982 42 E CA 1.160 57.519 56.400 -0.068 0.000 0.800 42 E CB 0.012 29.728 29.700 0.028 0.000 0.756 42 E HN 0.390 nan 8.360 nan 0.000 0.449 43 K N 0.575 120.965 120.400 -0.017 0.000 2.152 43 K HA -0.178 4.141 4.320 -0.001 0.000 0.206 43 K C 1.465 178.059 176.600 -0.010 0.000 1.048 43 K CA 1.675 57.959 56.287 -0.006 0.000 0.933 43 K CB 0.047 32.548 32.500 0.001 0.000 0.721 43 K HN 0.158 nan 8.250 nan 0.000 0.447 44 E N -1.006 119.182 120.200 -0.021 0.000 2.502 44 E HA 0.034 4.384 4.350 -0.001 0.000 0.194 44 E C 0.749 177.332 176.600 -0.029 0.000 1.062 44 E CA 0.371 56.762 56.400 -0.016 0.000 0.867 44 E CB 0.344 30.039 29.700 -0.009 0.000 0.888 44 E HN 0.602 nan 8.360 nan 0.000 0.510 45 G N 1.854 110.629 108.800 -0.042 0.000 2.159 45 G HA2 -0.365 3.594 3.960 -0.001 0.000 0.256 45 G HA3 -0.365 3.594 3.960 -0.001 0.000 0.256 45 G C 0.898 175.753 174.900 -0.076 0.000 0.977 45 G CA 0.761 45.836 45.100 -0.041 0.000 0.652 45 G HN 0.257 nan 8.290 nan 0.000 0.531 46 K N -0.278 120.036 120.400 -0.145 0.000 2.167 46 K HA 0.304 4.624 4.320 -0.001 0.000 0.203 46 K C 1.470 177.922 176.600 -0.247 0.000 1.052 46 K CA 1.396 57.541 56.287 -0.237 0.000 0.956 46 K CB 0.093 32.319 32.500 -0.456 0.000 0.735 46 K HN 0.813 nan 8.250 nan 0.000 0.451 47 I N -3.929 116.484 120.570 -0.263 0.000 3.042 47 I HA 0.465 4.634 4.170 -0.001 0.000 0.310 47 I C -0.957 175.111 176.117 -0.081 0.000 1.117 47 I CA -0.981 60.158 61.300 -0.268 0.000 1.003 47 I CB 2.558 40.269 38.000 -0.481 0.000 1.228 47 I HN -0.345 nan 8.210 nan 0.000 0.443 48 S N 1.631 117.338 115.700 0.012 0.000 2.541 48 S HA 0.436 4.906 4.470 -0.001 0.000 0.280 48 S C -0.764 173.884 174.600 0.081 0.000 1.112 48 S CA -0.808 57.431 58.200 0.066 0.000 0.925 48 S CB 1.984 65.187 63.200 0.005 0.000 1.067 48 S HN 0.533 nan 8.310 nan 0.000 0.479 49 K N 2.312 122.702 120.400 -0.016 0.000 2.436 49 K HA 0.298 4.617 4.320 -0.001 0.000 0.275 49 K C 0.000 176.490 176.600 -0.184 0.000 0.999 49 K CA 0.220 56.347 56.287 -0.267 0.000 0.980 49 K CB 0.154 32.478 32.500 -0.293 0.000 0.919 49 K HN 0.556 nan 8.250 nan 0.000 0.484 50 I N -1.706 118.729 120.570 -0.224 0.000 2.957 50 I HA 0.620 4.789 4.170 -0.001 0.000 0.310 50 I C 0.301 176.327 176.117 -0.151 0.000 1.063 50 I CA -1.174 60.034 61.300 -0.153 0.000 1.033 50 I CB 1.914 39.837 38.000 -0.129 0.000 1.230 50 I HN 0.515 nan 8.210 nan 0.000 0.447 51 G N 1.055 109.786 108.800 -0.115 0.000 2.511 51 G HA2 0.534 4.493 3.960 -0.001 0.000 0.316 51 G HA3 0.534 4.493 3.960 -0.001 0.000 0.316 51 G C -1.731 173.108 174.900 -0.102 0.000 1.210 51 G CA -1.407 43.630 45.100 -0.105 0.000 0.969 51 G HN 0.596 nan 8.290 nan 0.000 0.492 52 P HA -0.120 nan 4.420 nan 0.000 0.221 52 P C 1.255 178.499 177.300 -0.095 0.000 1.145 52 P CA 1.016 64.059 63.100 -0.094 0.000 0.795 52 P CB 0.218 31.868 31.700 -0.084 0.000 0.775 53 E N -0.213 119.936 120.200 -0.085 0.000 2.472 53 E HA -0.117 4.232 4.350 -0.001 0.000 0.200 53 E C 0.369 176.910 176.600 -0.099 0.000 1.046 53 E CA 0.373 56.723 56.400 -0.083 0.000 0.871 53 E CB -0.785 28.877 29.700 -0.064 0.000 0.806 53 E HN 0.175 nan 8.360 nan 0.000 0.533 54 N N 1.984 120.622 118.700 -0.104 0.000 2.437 54 N HA 0.112 4.851 4.740 -0.001 0.000 0.259 54 N C -1.886 173.517 175.510 -0.178 0.000 0.983 54 N CA -1.842 51.145 53.050 -0.105 0.000 0.937 54 N CB 1.728 40.184 38.487 -0.052 0.000 1.122 54 N HN -0.087 nan 8.380 nan 0.000 0.499 55 P HA 0.125 nan 4.420 nan 0.000 0.267 55 P C -0.534 176.517 177.300 -0.415 0.000 1.289 55 P CA 0.055 62.909 63.100 -0.410 0.000 0.866 55 P CB 0.228 31.634 31.700 -0.489 0.000 1.309 56 Y N 1.091 121.388 120.300 -0.005 0.000 2.300 56 Y HA 0.494 5.043 4.550 -0.001 0.000 0.328 56 Y C 0.968 176.883 175.900 0.026 0.000 1.270 56 Y CA -0.164 57.953 58.100 0.030 0.000 1.352 56 Y CB 0.391 38.896 38.460 0.074 0.000 1.286 56 Y HN -0.110 nan 8.280 nan 0.000 0.536 57 N N -0.996 117.837 118.700 0.222 0.000 2.446 57 N HA 0.463 5.202 4.740 -0.001 0.000 0.272 57 N C -1.894 173.700 175.510 0.140 0.000 1.127 57 N CA -0.459 52.677 53.050 0.143 0.000 0.896 57 N CB 1.749 40.270 38.487 0.056 0.000 1.658 57 N HN 0.559 nan 8.380 nan 0.000 0.483 58 T N 2.671 117.306 114.554 0.135 0.000 2.886 58 T HA 0.549 4.898 4.350 -0.001 0.000 0.292 58 T C -2.799 171.904 174.700 0.005 0.000 1.012 58 T CA -1.025 61.115 62.100 0.067 0.000 0.982 58 T CB 1.960 70.835 68.868 0.012 0.000 1.018 58 T HN 0.309 nan 8.240 nan 0.000 0.451 59 P HA 0.246 nan 4.420 nan 0.000 0.268 59 P C -0.734 176.399 177.300 -0.280 0.000 1.204 59 P CA -0.437 62.595 63.100 -0.113 0.000 0.768 59 P CB 0.398 32.129 31.700 0.052 0.000 0.842 60 V N 0.673 120.362 119.914 -0.375 0.000 2.715 60 V HA 0.730 4.849 4.120 -0.001 0.000 0.310 60 V C -0.816 174.963 176.094 -0.525 0.000 1.054 60 V CA -0.802 61.286 62.300 -0.354 0.000 0.928 60 V CB 1.481 33.182 31.823 -0.204 0.000 1.007 60 V HN 0.281 nan 8.190 nan 0.000 0.437 61 F N 1.023 120.938 119.950 -0.058 0.000 2.629 61 F HA 0.893 5.419 4.527 -0.001 0.000 0.316 61 F C 0.286 176.014 175.800 -0.119 0.000 1.081 61 F CA -0.627 57.304 58.000 -0.116 0.000 0.954 61 F CB 2.344 41.220 39.000 -0.206 0.000 1.337 61 F HN 0.849 nan 8.300 nan 0.000 0.474 62 A N 2.503 125.360 122.820 0.061 0.000 2.291 62 A HA 0.867 5.186 4.320 -0.001 0.000 0.311 62 A C -0.912 176.771 177.584 0.165 0.000 1.224 62 A CA -0.368 51.675 52.037 0.010 0.000 0.821 62 A CB 0.348 19.173 19.000 -0.292 0.000 1.172 62 A HN 0.689 nan 8.150 nan 0.000 0.494 63 I N 0.647 121.384 120.570 0.278 0.000 3.445 63 I HA 0.510 4.679 4.170 -0.001 0.000 0.303 63 I C -0.187 176.064 176.117 0.223 0.000 1.129 63 I CA -0.960 60.482 61.300 0.238 0.000 0.989 63 I CB 2.249 40.294 38.000 0.076 0.000 1.314 63 I HN 0.477 nan 8.210 nan 0.000 0.488 64 K N 1.633 122.012 120.400 -0.035 0.000 2.397 64 K HA 0.327 4.646 4.320 -0.001 0.000 0.253 64 K C -0.901 175.623 176.600 -0.127 0.000 0.932 64 K CA -0.785 55.386 56.287 -0.194 0.000 0.795 64 K CB 1.934 34.173 32.500 -0.434 0.000 1.159 64 K HN 0.453 nan 8.250 nan 0.000 0.424 65 K N 3.273 123.608 120.400 -0.108 0.000 3.000 65 K HA 0.039 4.359 4.320 -0.001 0.000 0.265 65 K C -0.083 176.449 176.600 -0.112 0.000 1.260 65 K CA -0.280 55.951 56.287 -0.094 0.000 1.209 65 K CB -0.057 32.401 32.500 -0.070 0.000 1.484 65 K HN 0.448 nan 8.250 nan 0.000 0.283 66 K N 2.215 122.532 120.400 -0.137 0.000 3.239 66 K HA -0.164 4.155 4.320 -0.001 0.000 0.270 66 K C -1.179 175.318 176.600 -0.171 0.000 1.049 66 K CA 1.004 57.197 56.287 -0.158 0.000 0.769 66 K CB -1.680 30.715 32.500 -0.175 0.000 1.305 66 K HN 0.887 nan 8.250 nan 0.000 0.469 67 D N -1.210 119.067 120.400 -0.205 0.000 2.914 67 D HA -0.128 4.511 4.640 -0.001 0.000 0.226 67 D C 0.454 176.648 176.300 -0.176 0.000 1.112 67 D CA 1.291 55.165 54.000 -0.210 0.000 0.778 67 D CB -1.496 39.197 40.800 -0.179 0.000 1.095 67 D HN 0.438 nan 8.370 nan 0.000 0.436 68 S N -0.198 115.406 115.700 -0.160 0.000 2.607 68 S HA 0.044 4.513 4.470 -0.001 0.000 0.224 68 S C 0.861 175.377 174.600 -0.140 0.000 0.969 68 S CA 1.531 59.657 58.200 -0.124 0.000 0.927 68 S CB -0.512 62.633 63.200 -0.091 0.000 0.772 68 S HN 0.681 nan 8.310 nan 0.000 0.533 69 T N -0.800 113.630 114.554 -0.207 0.000 4.308 69 T HA -0.209 4.140 4.350 -0.001 0.000 0.338 69 T C -0.359 174.184 174.700 -0.263 0.000 0.756 69 T CA 1.229 63.170 62.100 -0.264 0.000 1.963 69 T CB -2.903 65.861 68.868 -0.174 0.000 1.887 69 T HN 0.908 nan 8.240 nan 0.000 0.916 70 K N -0.806 119.434 120.400 -0.267 0.000 2.185 70 K HA 0.758 5.078 4.320 -0.001 0.000 0.240 70 K C -0.635 175.831 176.600 -0.223 0.000 0.983 70 K CA -1.332 54.862 56.287 -0.154 0.000 0.873 70 K CB 1.647 34.105 32.500 -0.069 0.000 1.118 70 K HN 0.272 nan 8.250 nan 0.000 0.441 71 W N 0.652 121.937 121.300 -0.025 0.000 2.736 71 W HA 0.471 5.130 4.660 -0.001 0.000 0.355 71 W C -0.446 176.062 176.519 -0.018 0.000 1.102 71 W CA -0.751 56.578 57.345 -0.027 0.000 1.164 71 W CB 1.997 31.442 29.460 -0.024 0.000 1.422 71 W HN 0.697 nan 8.180 nan 0.000 0.572 72 R N 1.206 121.902 120.500 0.328 0.000 2.626 72 R HA 0.528 4.868 4.340 -0.001 0.000 0.274 72 R C -1.454 174.935 176.300 0.148 0.000 1.031 72 R CA -1.195 55.011 56.100 0.176 0.000 0.898 72 R CB 1.740 32.102 30.300 0.103 0.000 1.222 72 R HN 0.386 nan 8.270 nan 0.000 0.455 73 K N 2.141 122.601 120.400 0.101 0.000 2.249 73 K HA 0.292 4.611 4.320 -0.001 0.000 0.280 73 K C -1.159 175.489 176.600 0.080 0.000 1.033 73 K CA -0.642 55.680 56.287 0.058 0.000 0.946 73 K CB 0.835 33.343 32.500 0.013 0.000 1.005 73 K HN 0.548 nan 8.250 nan 0.000 0.469 74 L N 5.481 126.756 121.223 0.087 0.000 2.415 74 L HA 0.339 4.678 4.340 -0.001 0.000 0.268 74 L C -1.564 175.373 176.870 0.112 0.000 0.984 74 L CA -0.570 54.353 54.840 0.138 0.000 0.853 74 L CB 1.646 43.819 42.059 0.190 0.000 1.215 74 L HN 0.376 nan 8.230 nan 0.000 0.419 75 V N 3.526 123.442 119.914 0.004 0.000 2.498 75 V HA 0.271 4.390 4.120 -0.001 0.000 0.279 75 V C -0.022 176.001 176.094 -0.118 0.000 1.048 75 V CA -0.474 61.678 62.300 -0.247 0.000 0.967 75 V CB 1.355 32.775 31.823 -0.671 0.000 0.988 75 V HN 0.735 nan 8.190 nan 0.000 0.473 76 D N 3.794 124.163 120.400 -0.050 0.000 2.522 76 D HA 0.189 4.828 4.640 -0.001 0.000 0.218 76 D C 0.234 176.564 176.300 0.049 0.000 1.149 76 D CA -0.347 53.742 54.000 0.147 0.000 0.981 76 D CB -0.005 41.021 40.800 0.377 0.000 1.041 76 D HN 0.376 nan 8.370 nan 0.000 0.518 77 F N 1.563 121.627 119.950 0.189 0.000 2.676 77 F HA 0.244 4.770 4.527 -0.002 0.000 0.300 77 F C 2.079 177.978 175.800 0.165 0.000 1.160 77 F CA -0.158 57.950 58.000 0.180 0.000 1.401 77 F CB -0.036 39.096 39.000 0.221 0.000 1.037 77 F HN 0.215 nan 8.300 nan 0.000 0.522 78 R N 0.013 120.671 120.500 0.263 0.000 2.091 78 R HA -0.212 4.127 4.340 -0.001 0.000 0.238 78 R C 2.081 178.476 176.300 0.158 0.000 1.136 78 R CA 1.658 57.856 56.100 0.162 0.000 0.959 78 R CB -0.153 30.171 30.300 0.040 0.000 0.856 78 R HN 0.171 nan 8.270 nan 0.000 0.437 79 E N 0.744 121.046 120.200 0.169 0.000 2.046 79 E HA -0.146 4.203 4.350 -0.001 0.000 0.190 79 E C 1.731 178.436 176.600 0.176 0.000 0.982 79 E CA 0.770 57.257 56.400 0.145 0.000 0.800 79 E CB -0.203 29.577 29.700 0.133 0.000 0.756 79 E HN 0.113 nan 8.360 nan 0.000 0.449 80 L N 0.993 122.372 121.223 0.260 0.000 2.083 80 L HA -0.149 4.190 4.340 -0.001 0.000 0.209 80 L C 1.557 178.616 176.870 0.315 0.000 1.083 80 L CA 1.790 56.792 54.840 0.271 0.000 0.752 80 L CB -0.782 41.494 42.059 0.361 0.000 0.899 80 L HN 0.111 nan 8.230 nan 0.000 0.433 81 N N 0.225 119.123 118.700 0.330 0.000 2.120 81 N HA -0.190 4.549 4.740 -0.001 0.000 0.188 81 N C 1.710 177.331 175.510 0.185 0.000 1.024 81 N CA 1.408 54.613 53.050 0.259 0.000 0.852 81 N CB -0.256 38.335 38.487 0.174 0.000 1.003 81 N HN 0.437 nan 8.380 nan 0.000 0.424 82 K N 0.450 120.936 120.400 0.144 0.000 2.442 82 K HA 0.041 4.360 4.320 -0.001 0.000 0.198 82 K C 1.297 177.945 176.600 0.079 0.000 1.042 82 K CA 0.629 56.973 56.287 0.095 0.000 0.958 82 K CB 0.191 32.730 32.500 0.064 0.000 0.766 82 K HN 0.206 nan 8.250 nan 0.000 0.474 83 R N -1.001 119.564 120.500 0.108 0.000 2.419 83 R HA 0.030 4.369 4.340 -0.001 0.000 0.235 83 R C 1.690 178.059 176.300 0.116 0.000 0.899 83 R CA 0.752 56.881 56.100 0.048 0.000 1.048 83 R CB 0.657 30.957 30.300 0.000 0.000 1.182 83 R HN 0.153 nan 8.270 nan 0.000 0.544 84 T N -1.795 112.944 114.554 0.309 0.000 2.990 84 T HA -0.009 4.340 4.350 -0.001 0.000 0.249 84 T C 0.682 175.843 174.700 0.769 0.000 1.039 84 T CA -0.032 62.409 62.100 0.569 0.000 1.036 84 T CB 0.343 69.720 68.868 0.848 0.000 0.994 84 T HN 0.155 nan 8.240 nan 0.000 0.489 85 Q N 0.185 120.287 119.800 0.503 0.000 3.825 85 Q HA 0.440 4.780 4.340 -0.001 0.000 0.218 85 Q C -1.352 174.865 176.000 0.361 0.000 0.882 85 Q CA -0.394 55.744 55.803 0.558 0.000 0.766 85 Q CB 0.523 29.341 28.738 0.133 0.000 1.497 85 Q HN -0.003 nan 8.270 nan 0.000 0.428 86 D N 1.769 122.397 120.400 0.379 0.000 2.571 86 D HA 0.208 4.847 4.640 -0.001 0.000 0.239 86 D C -0.919 175.570 176.300 0.315 0.000 1.267 86 D CA -0.040 54.094 54.000 0.223 0.000 0.823 86 D CB 0.459 41.328 40.800 0.115 0.000 1.056 86 D HN 0.621 nan 8.370 nan 0.000 0.494 87 F N -2.139 117.877 119.950 0.110 0.000 2.627 87 F HA 0.365 4.892 4.527 -0.001 0.000 0.344 87 F C -0.228 175.653 175.800 0.135 0.000 1.505 87 F CA -0.958 57.094 58.000 0.087 0.000 1.111 87 F CB -0.229 38.792 39.000 0.034 0.000 1.585 87 F HN -0.251 nan 8.300 nan 0.000 0.582 88 W N 2.145 123.288 121.300 -0.261 0.000 2.984 88 W HA 0.296 4.955 4.660 -0.001 0.000 0.288 88 W C 0.687 177.014 176.519 -0.320 0.000 1.016 88 W CA 1.408 58.459 57.345 -0.490 0.000 1.835 88 W CB 0.201 29.438 29.460 -0.371 0.000 1.201 88 W HN 0.423 nan 8.180 nan 0.000 0.529 89 E N -0.089 120.144 120.200 0.055 0.000 3.286 89 E HA 0.177 4.526 4.350 -0.001 0.000 0.309 89 E C -0.894 175.740 176.600 0.057 0.000 1.174 89 E CA 0.042 56.449 56.400 0.011 0.000 0.984 89 E CB 0.412 30.103 29.700 -0.016 0.000 1.401 89 E HN -0.063 nan 8.360 nan 0.000 0.388 90 V N 2.541 122.499 119.914 0.073 0.000 3.490 90 V HA 0.086 4.206 4.120 -0.001 0.000 0.315 90 V C 0.865 177.002 176.094 0.072 0.000 1.284 90 V CA 0.845 63.191 62.300 0.076 0.000 1.233 90 V CB 0.112 31.996 31.823 0.102 0.000 1.101 90 V HN 0.544 nan 8.190 nan 0.000 0.425 91 Q N -0.115 119.723 119.800 0.062 0.000 1.921 91 Q HA 0.358 4.697 4.340 -0.001 0.000 0.192 91 Q C -0.183 175.851 176.000 0.057 0.000 0.755 91 Q CA 0.252 56.093 55.803 0.064 0.000 0.904 91 Q CB 0.901 29.673 28.738 0.057 0.000 1.222 91 Q HN 0.497 nan 8.270 nan 0.000 0.417 92 L N 0.559 121.811 121.223 0.050 0.000 2.435 92 L HA 0.619 4.958 4.340 -0.001 0.000 0.259 92 L C -0.041 176.853 176.870 0.040 0.000 1.563 92 L CA -0.284 54.583 54.840 0.044 0.000 0.789 92 L CB 1.051 43.131 42.059 0.034 0.000 0.989 92 L HN 0.259 nan 8.230 nan 0.000 0.522 93 G N 0.995 109.826 108.800 0.051 0.000 3.244 93 G HA2 0.419 4.378 3.960 -0.001 0.000 0.197 93 G HA3 0.419 4.378 3.960 -0.001 0.000 0.197 93 G C -0.166 174.771 174.900 0.062 0.000 1.531 93 G CA -0.241 44.888 45.100 0.048 0.000 0.747 93 G HN 0.027 nan 8.290 nan 0.000 0.763 94 I N 3.722 124.340 120.570 0.079 0.000 2.361 94 I HA 0.302 4.471 4.170 -0.001 0.000 0.282 94 I C -1.886 174.321 176.117 0.150 0.000 1.075 94 I CA -1.738 59.624 61.300 0.102 0.000 1.205 94 I CB -0.157 37.910 38.000 0.112 0.000 1.406 94 I HN 0.207 nan 8.210 nan 0.000 0.481 95 P HA 0.067 nan 4.420 nan 0.000 0.275 95 P C -0.222 177.175 177.300 0.162 0.000 1.270 95 P CA -0.181 63.019 63.100 0.167 0.000 0.791 95 P CB 0.411 32.189 31.700 0.130 0.000 1.089 96 H N 1.143 120.207 119.070 -0.010 0.000 2.975 96 H HA 0.168 4.724 4.556 -0.001 0.000 0.303 96 H C -1.707 173.443 175.328 -0.296 0.000 1.023 96 H CA -1.164 54.652 56.048 -0.387 0.000 1.473 96 H CB -0.351 29.118 29.762 -0.488 0.000 1.498 96 H HN 0.177 nan 8.280 nan 0.000 0.549 97 P HA 0.086 nan 4.420 nan 0.000 0.275 97 P C -0.130 176.726 177.300 -0.739 0.000 1.227 97 P CA -0.194 62.580 63.100 -0.544 0.000 0.781 97 P CB 1.548 33.071 31.700 -0.295 0.000 0.906 98 A N 2.997 125.596 122.820 -0.367 0.000 2.123 98 A HA 0.127 4.446 4.320 -0.001 0.000 0.214 98 A C 2.075 179.551 177.584 -0.181 0.000 1.152 98 A CA 1.281 53.171 52.037 -0.244 0.000 0.728 98 A CB -1.005 17.930 19.000 -0.107 0.000 0.814 98 A HN 0.638 nan 8.150 nan 0.000 0.464 99 G N -0.565 108.140 108.800 -0.158 0.000 2.712 99 G HA2 0.068 4.027 3.960 -0.001 0.000 0.212 99 G HA3 0.068 4.027 3.960 -0.001 0.000 0.212 99 G C 1.283 176.110 174.900 -0.122 0.000 1.142 99 G CA 0.714 45.746 45.100 -0.112 0.000 0.789 99 G HN 0.357 nan 8.290 nan 0.000 0.535 100 L N 1.912 123.042 121.223 -0.155 0.000 2.021 100 L HA -0.146 4.193 4.340 -0.001 0.000 0.215 100 L C 2.744 179.532 176.870 -0.137 0.000 1.074 100 L CA 2.283 57.052 54.840 -0.119 0.000 0.760 100 L CB -0.260 41.715 42.059 -0.139 0.000 0.889 100 L HN 0.351 nan 8.230 nan 0.000 0.433 101 K N -0.706 119.602 120.400 -0.155 0.000 2.555 101 K HA -0.121 4.198 4.320 -0.001 0.000 0.193 101 K C 1.299 177.755 176.600 -0.240 0.000 1.032 101 K CA 0.994 57.154 56.287 -0.211 0.000 1.004 101 K CB -0.180 32.240 32.500 -0.132 0.000 0.804 101 K HN 0.408 nan 8.250 nan 0.000 0.496 102 K N 0.541 120.835 120.400 -0.178 0.000 2.355 102 K HA 0.138 4.457 4.320 -0.001 0.000 0.198 102 K C -0.029 176.482 176.600 -0.149 0.000 1.039 102 K CA -0.294 55.903 56.287 -0.150 0.000 1.075 102 K CB 0.569 33.009 32.500 -0.099 0.000 0.870 102 K HN -0.047 nan 8.250 nan 0.000 0.540 103 K N 1.520 121.826 120.400 -0.156 0.000 2.319 103 K HA 0.047 4.366 4.320 -0.001 0.000 0.265 103 K C 0.804 177.303 176.600 -0.169 0.000 1.000 103 K CA 0.329 56.536 56.287 -0.132 0.000 0.943 103 K CB 0.623 33.062 32.500 -0.102 0.000 0.950 103 K HN -0.025 nan 8.250 nan 0.000 0.485 104 K N 0.463 120.784 120.400 -0.132 0.000 2.155 104 K HA 0.005 4.324 4.320 -0.001 0.000 0.203 104 K C 0.091 176.626 176.600 -0.109 0.000 1.052 104 K CA 0.850 57.069 56.287 -0.113 0.000 0.948 104 K CB 0.228 32.677 32.500 -0.085 0.000 0.728 104 K HN 0.332 nan 8.250 nan 0.000 0.448 105 S N 0.460 115.996 115.700 -0.274 0.000 2.619 105 S HA 0.359 4.828 4.470 -0.001 0.000 0.280 105 S C -1.081 173.258 174.600 -0.434 0.000 1.150 105 S CA -0.844 57.045 58.200 -0.518 0.000 0.978 105 S CB 2.531 65.135 63.200 -0.993 0.000 1.041 105 S HN -0.147 nan 8.310 nan 0.000 0.485 106 V N 2.982 122.714 119.914 -0.304 0.000 2.483 106 V HA 0.525 4.644 4.120 -0.001 0.000 0.297 106 V C -0.202 175.886 176.094 -0.010 0.000 1.027 106 V CA -0.492 61.776 62.300 -0.053 0.000 0.855 106 V CB 1.914 33.746 31.823 0.014 0.000 0.995 106 V HN 0.880 nan 8.190 nan 0.000 0.424 107 T N 4.357 118.977 114.554 0.111 0.000 2.824 107 T HA 0.547 4.896 4.350 -0.001 0.000 0.280 107 T C -0.238 174.460 174.700 -0.004 0.000 0.995 107 T CA -0.350 61.792 62.100 0.070 0.000 1.009 107 T CB 1.687 70.640 68.868 0.143 0.000 0.955 107 T HN 0.344 nan 8.240 nan 0.000 0.452 108 V N 5.724 125.611 119.914 -0.045 0.000 2.370 108 V HA 0.479 4.598 4.120 -0.001 0.000 0.279 108 V C -0.171 175.833 176.094 -0.150 0.000 1.029 108 V CA -0.737 61.415 62.300 -0.248 0.000 0.870 108 V CB 0.535 32.167 31.823 -0.319 0.000 0.984 108 V HN 0.649 nan 8.190 nan 0.000 0.451 109 L N 2.381 123.504 121.223 -0.167 0.000 2.365 109 L HA 0.690 5.029 4.340 -0.001 0.000 0.273 109 L C -0.541 176.253 176.870 -0.126 0.000 1.000 109 L CA -0.852 53.922 54.840 -0.110 0.000 0.819 109 L CB 1.814 43.822 42.059 -0.086 0.000 1.284 109 L HN 0.444 nan 8.230 nan 0.000 0.418 110 D N 2.140 122.468 120.400 -0.120 0.000 2.336 110 D HA 0.258 4.897 4.640 -0.001 0.000 0.249 110 D C 0.610 176.800 176.300 -0.183 0.000 1.213 110 D CA -0.381 53.533 54.000 -0.144 0.000 0.870 110 D CB 1.572 42.287 40.800 -0.141 0.000 1.076 110 D HN 0.450 nan 8.370 nan 0.000 0.483 111 V N 2.023 121.802 119.914 -0.225 0.000 3.177 111 V HA 0.426 4.546 4.120 -0.001 0.000 0.342 111 V C 1.722 177.467 176.094 -0.580 0.000 1.379 111 V CA 0.230 62.349 62.300 -0.303 0.000 1.191 111 V CB 0.245 31.943 31.823 -0.208 0.000 1.167 111 V HN 0.501 nan 8.190 nan 0.000 0.471 112 G N 0.623 109.070 108.800 -0.589 0.000 2.462 112 G HA2 -0.196 3.763 3.960 -0.001 0.000 0.220 112 G HA3 -0.196 3.763 3.960 -0.001 0.000 0.220 112 G C 1.049 175.411 174.900 -0.897 0.000 1.121 112 G CA 1.105 45.689 45.100 -0.861 0.000 0.758 112 G HN 0.580 nan 8.290 nan 0.000 0.559 113 D N 0.874 120.886 120.400 -0.645 0.000 2.312 113 D HA 0.020 4.660 4.640 -0.001 0.000 0.211 113 D C 2.671 178.702 176.300 -0.449 0.000 0.964 113 D CA 0.743 54.396 54.000 -0.578 0.000 0.877 113 D CB 0.084 40.675 40.800 -0.348 0.000 0.924 113 D HN 0.369 nan 8.370 nan 0.000 0.515 114 A N 1.083 123.571 122.820 -0.553 0.000 1.845 114 A HA -0.210 4.110 4.320 -0.001 0.000 0.215 114 A C 1.939 179.297 177.584 -0.377 0.000 1.195 114 A CA 1.076 52.817 52.037 -0.492 0.000 0.616 114 A CB -1.357 17.177 19.000 -0.776 0.000 0.832 114 A HN 0.318 nan 8.150 nan 0.000 0.443 115 Y N -1.618 118.366 120.300 -0.527 0.000 2.096 115 Y HA -0.342 4.207 4.550 -0.001 0.000 0.276 115 Y C 2.185 178.150 175.900 0.110 0.000 1.209 115 Y CA 0.891 58.840 58.100 -0.252 0.000 1.137 115 Y CB -0.684 37.699 38.460 -0.128 0.000 0.956 115 Y HN 0.310 nan 8.280 nan 0.000 0.506 116 F N 0.659 120.650 119.950 0.068 0.000 2.481 116 F HA -0.222 4.304 4.527 -0.001 0.000 0.297 116 F C 2.446 178.289 175.800 0.071 0.000 1.095 116 F CA 0.994 59.046 58.000 0.086 0.000 1.465 116 F CB -1.073 37.962 39.000 0.059 0.000 1.098 116 F HN 0.129 nan 8.300 nan 0.000 0.585 117 S N -1.573 114.266 115.700 0.232 0.000 2.441 117 S HA 0.068 4.537 4.470 -0.001 0.000 0.224 117 S C 0.719 175.414 174.600 0.158 0.000 1.043 117 S CA -0.039 58.258 58.200 0.161 0.000 0.948 117 S CB -0.665 62.612 63.200 0.130 0.000 0.810 117 S HN -0.102 nan 8.310 nan 0.000 0.504 118 V N 5.664 125.691 119.914 0.188 0.000 2.479 118 V HA 0.305 4.424 4.120 -0.001 0.000 0.281 118 V C -2.088 174.100 176.094 0.157 0.000 1.031 118 V CA -1.866 60.543 62.300 0.182 0.000 1.038 118 V CB 0.142 32.101 31.823 0.228 0.000 0.981 118 V HN 0.380 nan 8.190 nan 0.000 0.478 119 P HA 0.155 nan 4.420 nan 0.000 0.271 119 P C -0.625 176.753 177.300 0.131 0.000 1.218 119 P CA -0.421 62.748 63.100 0.115 0.000 0.780 119 P CB 1.322 33.076 31.700 0.091 0.000 0.901 120 L N 2.549 123.853 121.223 0.135 0.000 2.334 120 L HA 0.364 4.704 4.340 -0.001 0.000 0.277 120 L C 0.149 177.108 176.870 0.148 0.000 1.075 120 L CA -0.430 54.502 54.840 0.154 0.000 0.804 120 L CB 0.180 42.334 42.059 0.158 0.000 1.174 120 L HN 0.268 nan 8.230 nan 0.000 0.438 121 D N 2.385 122.886 120.400 0.169 0.000 2.531 121 D HA -0.102 4.538 4.640 -0.001 0.000 0.239 121 D C 1.034 177.432 176.300 0.163 0.000 1.144 121 D CA 0.574 54.671 54.000 0.162 0.000 0.869 121 D CB 0.913 41.820 40.800 0.178 0.000 1.160 121 D HN 0.717 nan 8.370 nan 0.000 0.484 122 E N 2.468 122.735 120.200 0.111 0.000 2.065 122 E HA -0.234 4.116 4.350 -0.001 0.000 0.201 122 E C 0.934 177.572 176.600 0.063 0.000 1.016 122 E CA 1.921 58.367 56.400 0.075 0.000 0.818 122 E CB 0.051 29.783 29.700 0.054 0.000 0.749 122 E HN 0.582 nan 8.360 nan 0.000 0.453 123 D N -1.177 119.277 120.400 0.090 0.000 2.348 123 D HA -0.108 4.531 4.640 -0.001 0.000 0.216 123 D C 1.265 177.602 176.300 0.062 0.000 0.970 123 D CA 0.446 54.483 54.000 0.063 0.000 0.889 123 D CB -0.047 40.814 40.800 0.103 0.000 0.912 123 D HN 0.231 nan 8.370 nan 0.000 0.524 124 F N 1.481 121.427 119.950 -0.007 0.000 2.582 124 F HA 0.129 4.655 4.527 -0.001 0.000 0.290 124 F C 2.111 177.860 175.800 -0.086 0.000 1.115 124 F CA 0.047 58.064 58.000 0.029 0.000 1.445 124 F CB 0.232 39.292 39.000 0.102 0.000 1.126 124 F HN -0.283 nan 8.300 nan 0.000 0.574 125 R N 1.240 121.721 120.500 -0.031 0.000 2.134 125 R HA -0.272 4.067 4.340 -0.001 0.000 0.248 125 R C 2.349 178.540 176.300 -0.182 0.000 1.143 125 R CA 2.217 58.281 56.100 -0.060 0.000 0.957 125 R CB -0.958 29.350 30.300 0.012 0.000 0.867 125 R HN 0.352 nan 8.270 nan 0.000 0.441 126 K N 0.442 120.666 120.400 -0.293 0.000 2.144 126 K HA -0.232 4.087 4.320 -0.001 0.000 0.209 126 K C 1.473 177.881 176.600 -0.320 0.000 1.047 126 K CA 1.951 58.063 56.287 -0.292 0.000 0.927 126 K CB -0.498 31.765 32.500 -0.395 0.000 0.716 126 K HN 0.271 nan 8.250 nan 0.000 0.454 127 Y N 2.371 122.392 120.300 -0.466 0.000 2.571 127 Y HA -0.041 4.508 4.550 -0.001 0.000 0.294 127 Y C 2.153 177.866 175.900 -0.312 0.000 1.141 127 Y CA 1.265 58.989 58.100 -0.627 0.000 1.308 127 Y CB -0.362 37.444 38.460 -1.089 0.000 1.002 127 Y HN 0.378 nan 8.280 nan 0.000 0.551 128 T N -2.598 111.939 114.554 -0.028 0.000 3.206 128 T HA 0.549 4.899 4.350 -0.001 0.000 0.253 128 T C 0.732 175.693 174.700 0.435 0.000 1.042 128 T CA -0.090 62.166 62.100 0.261 0.000 0.931 128 T CB -0.594 68.436 68.868 0.271 0.000 1.029 128 T HN 0.172 nan 8.240 nan 0.000 0.564 129 A N 1.796 124.778 122.820 0.270 0.000 2.498 129 A HA 0.578 4.898 4.320 -0.001 0.000 0.239 129 A C -0.068 177.693 177.584 0.296 0.000 1.068 129 A CA -0.498 51.667 52.037 0.213 0.000 0.766 129 A CB -0.363 18.698 19.000 0.102 0.000 1.003 129 A HN 0.761 nan 8.150 nan 0.000 0.497 130 F N -0.916 119.095 119.950 0.102 0.000 2.664 130 F HA 0.836 5.362 4.527 -0.001 0.000 0.317 130 F C -0.363 175.462 175.800 0.041 0.000 1.108 130 F CA -0.963 57.066 58.000 0.049 0.000 0.957 130 F CB 1.361 40.380 39.000 0.031 0.000 1.365 130 F HN 0.319 nan 8.300 nan 0.000 0.475 131 T N 2.314 116.964 114.554 0.161 0.000 2.881 131 T HA 0.521 4.870 4.350 -0.001 0.000 0.291 131 T C -0.495 174.263 174.700 0.097 0.000 0.990 131 T CA -0.348 61.769 62.100 0.029 0.000 0.976 131 T CB 1.195 70.049 68.868 -0.022 0.000 0.970 131 T HN 0.584 nan 8.240 nan 0.000 0.438 132 I N 6.351 126.973 120.570 0.087 0.000 2.379 132 I HA 0.221 4.390 4.170 -0.001 0.000 0.290 132 I C -1.666 174.454 176.117 0.004 0.000 1.063 132 I CA -2.049 59.297 61.300 0.076 0.000 1.351 132 I CB 0.803 38.863 38.000 0.099 0.000 1.410 132 I HN 0.312 nan 8.210 nan 0.000 0.505 133 P HA 0.063 nan 4.420 nan 0.000 0.272 133 P C -0.517 176.762 177.300 -0.035 0.000 1.230 133 P CA -0.316 62.766 63.100 -0.029 0.000 0.788 133 P CB 1.106 32.790 31.700 -0.027 0.000 0.949 134 S N 1.199 116.876 115.700 -0.038 0.000 2.651 134 S HA 0.495 4.964 4.470 -0.001 0.000 0.291 134 S C 0.122 174.700 174.600 -0.035 0.000 1.141 134 S CA -0.900 57.277 58.200 -0.039 0.000 1.027 134 S CB 0.341 63.516 63.200 -0.042 0.000 1.043 134 S HN 0.304 nan 8.310 nan 0.000 0.530 135 I N 2.633 123.182 120.570 -0.034 0.000 2.441 135 I HA 0.234 4.403 4.170 -0.001 0.000 0.287 135 I C 0.832 176.933 176.117 -0.027 0.000 1.049 135 I CA -0.036 61.246 61.300 -0.030 0.000 1.381 135 I CB 0.368 38.350 38.000 -0.030 0.000 1.409 135 I HN 1.003 nan 8.210 nan 0.000 0.523 136 N N 5.212 123.898 118.700 -0.023 0.000 2.708 136 N HA -0.270 4.469 4.740 -0.001 0.000 0.249 136 N C 0.030 175.526 175.510 -0.024 0.000 1.097 136 N CA 0.922 53.960 53.050 -0.021 0.000 0.710 136 N CB -0.917 37.559 38.487 -0.018 0.000 1.032 136 N HN 0.781 nan 8.380 nan 0.000 0.551 137 N N -1.116 117.567 118.700 -0.028 0.000 2.693 137 N HA -0.266 4.473 4.740 -0.001 0.000 0.249 137 N C 0.815 176.306 175.510 -0.032 0.000 1.119 137 N CA 1.255 54.286 53.050 -0.032 0.000 0.717 137 N CB -1.081 37.387 38.487 -0.031 0.000 1.071 137 N HN 0.805 nan 8.380 nan 0.000 0.555 138 E N 0.153 120.334 120.200 -0.031 0.000 2.058 138 E HA -0.149 4.200 4.350 -0.001 0.000 0.194 138 E C 0.587 177.167 176.600 -0.035 0.000 0.997 138 E CA 1.704 58.086 56.400 -0.030 0.000 0.801 138 E CB 0.243 29.926 29.700 -0.028 0.000 0.746 138 E HN 0.600 nan 8.360 nan 0.000 0.450 139 T N -0.999 113.532 114.554 -0.040 0.000 2.906 139 T HA 0.481 4.830 4.350 -0.001 0.000 0.295 139 T C -2.737 171.930 174.700 -0.053 0.000 1.075 139 T CA -1.914 60.158 62.100 -0.046 0.000 1.005 139 T CB 1.915 70.754 68.868 -0.048 0.000 1.136 139 T HN -0.120 nan 8.240 nan 0.000 0.498 140 P HA 0.300 nan 4.420 nan 0.000 0.271 140 P C 0.667 177.920 177.300 -0.079 0.000 1.218 140 P CA -0.023 63.035 63.100 -0.070 0.000 0.780 140 P CB 0.243 31.897 31.700 -0.076 0.000 0.901 141 G N 1.815 110.567 108.800 -0.080 0.000 2.690 141 G HA2 0.244 4.203 3.960 -0.001 0.000 0.239 141 G HA3 0.244 4.203 3.960 -0.001 0.000 0.239 141 G C -0.171 174.655 174.900 -0.124 0.000 1.233 141 G CA -0.485 44.565 45.100 -0.084 0.000 0.847 141 G HN 0.390 nan 8.290 nan 0.000 0.588 142 I N 1.167 121.658 120.570 -0.131 0.000 2.352 142 I HA 0.254 4.423 4.170 -0.001 0.000 0.290 142 I C 0.708 176.633 176.117 -0.321 0.000 1.036 142 I CA -0.026 61.130 61.300 -0.240 0.000 1.336 142 I CB 0.999 38.883 38.000 -0.193 0.000 1.407 142 I HN 0.225 nan 8.210 nan 0.000 0.497 143 R N 6.099 126.334 120.500 -0.442 0.000 2.407 143 R HA 0.619 4.958 4.340 -0.001 0.000 0.303 143 R C -1.334 174.578 176.300 -0.647 0.000 0.981 143 R CA -0.817 55.021 56.100 -0.437 0.000 0.905 143 R CB 1.626 31.754 30.300 -0.287 0.000 1.099 143 R HN 0.452 nan 8.270 nan 0.000 0.459 144 Y N -0.089 119.833 120.300 -0.631 0.000 2.625 144 Y HA 0.240 4.789 4.550 -0.001 0.000 0.338 144 Y C -0.055 175.520 175.900 -0.542 0.000 1.123 144 Y CA -0.913 56.806 58.100 -0.635 0.000 1.046 144 Y CB 2.218 40.145 38.460 -0.889 0.000 1.299 144 Y HN 0.479 nan 8.280 nan 0.000 0.464 145 Q N 0.084 119.842 119.800 -0.069 0.000 2.456 145 Q HA 0.547 4.887 4.340 -0.001 0.000 0.283 145 Q C -2.067 173.982 176.000 0.081 0.000 1.084 145 Q CA -1.084 54.761 55.803 0.069 0.000 0.801 145 Q CB 2.309 31.071 28.738 0.040 0.000 1.434 145 Q HN 0.671 nan 8.270 nan 0.000 0.419 146 Y N 1.189 121.581 120.300 0.153 0.000 2.304 146 Y HA 0.206 4.755 4.550 -0.001 0.000 0.327 146 Y C 0.835 176.760 175.900 0.042 0.000 1.209 146 Y CA 0.164 58.326 58.100 0.103 0.000 1.299 146 Y CB 1.021 39.555 38.460 0.123 0.000 1.249 146 Y HN 0.725 nan 8.280 nan 0.000 0.519 147 N N 0.852 119.647 118.700 0.158 0.000 2.184 147 N HA 0.109 4.849 4.740 -0.001 0.000 0.206 147 N C -0.867 174.717 175.510 0.123 0.000 1.151 147 N CA 0.390 53.500 53.050 0.101 0.000 0.878 147 N CB 0.967 39.476 38.487 0.036 0.000 1.014 147 N HN 0.370 nan 8.380 nan 0.000 0.512 148 V N -2.752 117.272 119.914 0.182 0.000 3.181 148 V HA 0.519 4.638 4.120 -0.001 0.000 0.308 148 V C -0.227 175.986 176.094 0.199 0.000 1.214 148 V CA -1.236 61.166 62.300 0.170 0.000 1.053 148 V CB 1.685 33.580 31.823 0.119 0.000 1.069 148 V HN -0.155 nan 8.190 nan 0.000 0.441 149 L N 2.364 123.707 121.223 0.200 0.000 2.559 149 L HA 0.308 4.648 4.340 -0.001 0.000 0.274 149 L C -2.227 174.764 176.870 0.202 0.000 1.205 149 L CA -0.836 54.108 54.840 0.174 0.000 0.907 149 L CB 0.102 42.215 42.059 0.090 0.000 1.153 149 L HN 0.512 nan 8.230 nan 0.000 0.490 150 P HA 0.204 nan 4.420 nan 0.000 0.286 150 P C -1.163 176.251 177.300 0.190 0.000 1.261 150 P CA -0.728 62.282 63.100 -0.151 0.000 0.821 150 P CB 0.760 32.005 31.700 -0.758 0.000 1.013 151 Q N 0.910 120.919 119.800 0.348 0.000 2.332 151 Q HA 0.399 4.738 4.340 -0.001 0.000 0.263 151 Q C 1.093 177.294 176.000 0.334 0.000 0.979 151 Q CA 0.650 56.640 55.803 0.312 0.000 0.885 151 Q CB 0.206 29.028 28.738 0.141 0.000 1.218 151 Q HN 0.866 nan 8.270 nan 0.000 0.405 152 G N 1.790 110.775 108.800 0.308 0.000 2.279 152 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.223 152 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.223 152 G C -0.625 174.479 174.900 0.340 0.000 1.015 152 G CA -0.234 45.107 45.100 0.402 0.000 0.621 152 G HN 0.658 nan 8.290 nan 0.000 0.506 153 W N 3.001 124.183 121.300 -0.197 0.000 2.287 153 W HA 0.715 5.374 4.660 -0.001 0.000 0.313 153 W C 1.020 177.330 176.519 -0.347 0.000 1.267 153 W CA -0.611 56.441 57.345 -0.488 0.000 1.201 153 W CB 0.786 29.738 29.460 -0.847 0.000 1.196 153 W HN 0.036 nan 8.180 nan 0.000 0.536 154 K N 3.171 123.148 120.400 -0.706 0.000 2.555 154 K HA 0.021 4.341 4.320 -0.001 0.000 0.193 154 K C 1.703 177.463 176.600 -1.400 0.000 1.032 154 K CA 0.864 56.658 56.287 -0.822 0.000 1.004 154 K CB 0.005 32.213 32.500 -0.487 0.000 0.804 154 K HN 0.724 nan 8.250 nan 0.000 0.496 155 G N -0.720 106.573 108.800 -2.511 0.000 2.887 155 G HA2 -0.065 3.894 3.960 -0.001 0.000 0.211 155 G HA3 -0.065 3.894 3.960 -0.001 0.000 0.211 155 G C 1.261 175.058 174.900 -1.839 0.000 1.152 155 G CA -0.170 43.200 45.100 -2.883 0.000 0.769 155 G HN 0.099 nan 8.290 nan 0.000 0.541 156 S N 1.607 116.542 115.700 -1.275 0.000 2.348 156 S HA -0.056 4.414 4.470 -0.001 0.000 0.221 156 S C 0.330 174.317 174.600 -1.022 0.000 1.033 156 S CA 1.557 59.188 58.200 -0.949 0.000 1.010 156 S CB -0.514 62.100 63.200 -0.976 0.000 0.891 156 S HN 0.370 nan 8.310 nan 0.000 0.442 157 P HA 0.003 nan 4.420 nan 0.000 0.216 157 P C 1.293 178.416 177.300 -0.295 0.000 1.153 157 P CA 1.399 64.269 63.100 -0.384 0.000 0.844 157 P CB -0.119 31.439 31.700 -0.236 0.000 0.787 158 A N 0.214 122.737 122.820 -0.496 0.000 1.908 158 A HA -0.148 4.171 4.320 -0.001 0.000 0.218 158 A C 2.359 179.807 177.584 -0.227 0.000 1.181 158 A CA 1.489 53.294 52.037 -0.387 0.000 0.627 158 A CB -1.590 17.028 19.000 -0.636 0.000 0.818 158 A HN 0.145 nan 8.150 nan 0.000 0.445 159 I N -2.503 117.867 120.570 -0.333 0.000 2.617 159 I HA -0.109 4.061 4.170 -0.001 0.000 0.256 159 I C 2.035 178.177 176.117 0.042 0.000 1.167 159 I CA 0.851 62.120 61.300 -0.050 0.000 1.469 159 I CB -0.071 37.906 38.000 -0.039 0.000 1.098 159 I HN 0.394 nan 8.210 nan 0.000 0.436 160 F N 1.265 121.119 119.950 -0.160 0.000 2.743 160 F HA -0.046 4.480 4.527 -0.001 0.000 0.297 160 F C 2.311 178.095 175.800 -0.026 0.000 1.131 160 F CA 0.483 58.451 58.000 -0.053 0.000 1.426 160 F CB -0.105 38.904 39.000 0.014 0.000 1.116 160 F HN -0.027 nan 8.300 nan 0.000 0.583 161 Q N 0.635 120.431 119.800 -0.007 0.000 2.028 161 Q HA -0.281 4.058 4.340 -0.001 0.000 0.213 161 Q C 2.244 178.167 176.000 -0.128 0.000 1.017 161 Q CA 3.046 58.822 55.803 -0.045 0.000 0.875 161 Q CB -0.895 27.826 28.738 -0.029 0.000 0.962 161 Q HN 0.327 nan 8.270 nan 0.000 0.413 162 S N -0.417 115.203 115.700 -0.133 0.000 2.374 162 S HA -0.187 4.282 4.470 -0.001 0.000 0.227 162 S C 2.040 176.500 174.600 -0.232 0.000 1.037 162 S CA 1.351 59.468 58.200 -0.138 0.000 1.024 162 S CB -0.459 62.679 63.200 -0.103 0.000 0.861 162 S HN 0.463 nan 8.310 nan 0.000 0.456 163 S N 0.772 116.205 115.700 -0.445 0.000 2.428 163 S HA 0.038 4.507 4.470 -0.001 0.000 0.230 163 S C 1.778 176.049 174.600 -0.549 0.000 1.014 163 S CA 0.931 58.756 58.200 -0.624 0.000 0.957 163 S CB -0.241 62.281 63.200 -1.131 0.000 0.784 163 S HN 0.356 nan 8.310 nan 0.000 0.499 164 M N 2.518 121.837 119.600 -0.469 0.000 2.081 164 M HA -0.083 4.396 4.480 -0.001 0.000 0.261 164 M C 2.361 178.628 176.300 -0.056 0.000 1.075 164 M CA 2.059 57.276 55.300 -0.137 0.000 1.133 164 M CB -1.468 31.157 32.600 0.043 0.000 1.330 164 M HN 0.399 nan 8.290 nan 0.000 0.414 165 T N -1.783 112.742 114.554 -0.049 0.000 2.849 165 T HA -0.223 4.126 4.350 -0.001 0.000 0.270 165 T C 1.920 176.628 174.700 0.013 0.000 1.066 165 T CA 1.854 63.956 62.100 0.003 0.000 1.130 165 T CB -0.624 68.245 68.868 0.001 0.000 0.864 165 T HN 0.555 nan 8.240 nan 0.000 0.481 166 K N 0.706 121.084 120.400 -0.035 0.000 2.103 166 K HA 0.108 4.427 4.320 -0.001 0.000 0.204 166 K C 2.269 178.894 176.600 0.043 0.000 1.052 166 K CA 0.959 57.241 56.287 -0.009 0.000 0.945 166 K CB -0.208 32.248 32.500 -0.073 0.000 0.722 166 K HN 0.456 nan 8.250 nan 0.000 0.443 167 I N 1.111 121.681 120.570 -0.001 0.000 2.406 167 I HA -0.199 3.971 4.170 -0.001 0.000 0.249 167 I C 1.849 178.123 176.117 0.261 0.000 1.122 167 I CA 0.759 62.089 61.300 0.051 0.000 1.431 167 I CB -0.028 37.929 38.000 -0.071 0.000 1.087 167 I HN 0.138 nan 8.210 nan 0.000 0.424 168 L N 0.269 121.607 121.223 0.192 0.000 2.478 168 L HA -0.090 4.249 4.340 -0.001 0.000 0.223 168 L C 2.307 179.334 176.870 0.262 0.000 1.140 168 L CA 0.341 55.329 54.840 0.247 0.000 0.842 168 L CB -0.487 41.662 42.059 0.150 0.000 0.953 168 L HN 0.206 nan 8.230 nan 0.000 0.452 169 E N 1.280 121.608 120.200 0.214 0.000 2.021 169 E HA -0.178 4.172 4.350 -0.001 0.000 0.200 169 E C -0.446 176.249 176.600 0.158 0.000 1.015 169 E CA 1.805 58.304 56.400 0.165 0.000 0.824 169 E CB -1.235 28.546 29.700 0.134 0.000 0.762 169 E HN 0.248 nan 8.360 nan 0.000 0.454 170 P HA -0.202 nan 4.420 nan 0.000 0.215 170 P C 1.639 178.941 177.300 0.002 0.000 1.163 170 P CA 1.426 64.579 63.100 0.089 0.000 0.894 170 P CB -0.363 31.416 31.700 0.132 0.000 0.791 171 F N 1.421 121.277 119.950 -0.157 0.000 2.120 171 F HA -0.162 4.364 4.527 -0.001 0.000 0.300 171 F C 2.229 177.991 175.800 -0.064 0.000 1.095 171 F CA 1.802 59.687 58.000 -0.191 0.000 1.249 171 F CB -0.489 38.396 39.000 -0.191 0.000 0.995 171 F HN -0.208 nan 8.300 nan 0.000 0.480 172 K N -0.020 120.496 120.400 0.193 0.000 2.217 172 K HA -0.161 4.158 4.320 -0.001 0.000 0.202 172 K C 2.053 178.650 176.600 -0.006 0.000 1.051 172 K CA 0.900 57.259 56.287 0.120 0.000 0.952 172 K CB -0.141 32.455 32.500 0.160 0.000 0.736 172 K HN 0.232 nan 8.250 nan 0.000 0.453 173 K N 1.064 121.452 120.400 -0.019 0.000 2.365 173 K HA -0.124 4.195 4.320 -0.001 0.000 0.199 173 K C 1.276 177.823 176.600 -0.089 0.000 1.045 173 K CA 1.122 57.387 56.287 -0.036 0.000 0.962 173 K CB 0.281 32.772 32.500 -0.014 0.000 0.759 173 K HN 0.138 nan 8.250 nan 0.000 0.469 174 Q N -0.796 118.901 119.800 -0.171 0.000 2.246 174 Q HA 0.155 4.494 4.340 -0.001 0.000 0.222 174 Q C -0.335 175.516 176.000 -0.250 0.000 0.851 174 Q CA -0.045 55.635 55.803 -0.206 0.000 0.945 174 Q CB 1.012 29.601 28.738 -0.248 0.000 1.122 174 Q HN 0.189 nan 8.270 nan 0.000 0.508 175 N N 1.391 119.925 118.700 -0.276 0.000 2.642 175 N HA 0.118 4.857 4.740 -0.001 0.000 0.308 175 N C -2.298 173.157 175.510 -0.092 0.000 1.914 175 N CA -0.757 52.154 53.050 -0.233 0.000 0.893 175 N CB 1.141 39.376 38.487 -0.421 0.000 1.322 175 N HN 0.103 nan 8.380 nan 0.000 0.490 176 P HA -0.088 nan 4.420 nan 0.000 0.231 176 P C -0.220 177.080 177.300 -0.000 0.000 1.154 176 P CA 1.182 64.271 63.100 -0.019 0.000 0.762 176 P CB 0.309 31.995 31.700 -0.024 0.000 0.790 177 D N -0.567 119.833 120.400 -0.000 0.000 2.593 177 D HA 0.284 4.923 4.640 -0.001 0.000 0.241 177 D C 0.169 176.494 176.300 0.042 0.000 1.257 177 D CA -0.045 53.964 54.000 0.015 0.000 0.828 177 D CB 0.032 40.834 40.800 0.004 0.000 1.049 177 D HN 0.226 nan 8.370 nan 0.000 0.490 178 I N 1.626 122.236 120.570 0.067 0.000 2.411 178 I HA 0.185 4.355 4.170 -0.001 0.000 0.284 178 I C 0.006 176.198 176.117 0.125 0.000 1.012 178 I CA -1.287 60.083 61.300 0.117 0.000 1.119 178 I CB 1.798 39.907 38.000 0.183 0.000 1.261 178 I HN -0.196 nan 8.210 nan 0.000 0.448 179 V N 5.762 125.739 119.914 0.106 0.000 2.555 179 V HA 0.473 4.592 4.120 -0.001 0.000 0.286 179 V C -0.102 176.081 176.094 0.148 0.000 1.044 179 V CA -0.036 62.325 62.300 0.103 0.000 1.026 179 V CB 1.081 32.940 31.823 0.060 0.000 0.981 179 V HN 0.532 nan 8.190 nan 0.000 0.480 180 I N 6.420 127.086 120.570 0.160 0.000 2.420 180 I HA 0.377 4.546 4.170 -0.001 0.000 0.282 180 I C -1.152 175.104 176.117 0.232 0.000 1.019 180 I CA -0.517 60.891 61.300 0.181 0.000 1.130 180 I CB 1.429 39.516 38.000 0.145 0.000 1.262 180 I HN 0.827 nan 8.210 nan 0.000 0.454 181 Y N 6.860 127.248 120.300 0.147 0.000 2.352 181 Y HA 0.425 4.975 4.550 -0.001 0.000 0.339 181 Y C -0.499 175.544 175.900 0.239 0.000 0.992 181 Y CA -0.674 57.509 58.100 0.139 0.000 1.100 181 Y CB 1.405 39.905 38.460 0.067 0.000 1.192 181 Y HN 0.530 nan 8.280 nan 0.000 0.458 182 Q N 5.444 124.977 119.800 -0.446 0.000 2.282 182 Q HA 0.331 4.670 4.340 -0.001 0.000 0.260 182 Q C -2.201 173.421 176.000 -0.630 0.000 0.964 182 Q CA -0.926 54.672 55.803 -0.343 0.000 0.880 182 Q CB 1.372 30.061 28.738 -0.082 0.000 1.286 182 Q HN 0.811 nan 8.270 nan 0.000 0.445 183 Y N 6.670 126.755 120.300 -0.358 0.000 2.333 183 Y HA 0.267 4.816 4.550 -0.001 0.000 0.324 183 Y C -0.017 175.923 175.900 0.066 0.000 1.033 183 Y CA -0.394 57.586 58.100 -0.199 0.000 1.224 183 Y CB 0.538 38.877 38.460 -0.202 0.000 1.120 183 Y HN 0.938 nan 8.280 nan 0.000 0.457 184 M N 1.370 120.705 119.600 -0.442 0.000 7.319 184 M HA -0.397 4.082 4.480 -0.001 0.000 0.313 184 M C 0.320 176.660 176.300 0.067 0.000 0.480 184 M CA 2.160 57.328 55.300 -0.220 0.000 1.311 184 M CB -1.146 31.342 32.600 -0.187 0.000 0.421 184 M HN 0.656 nan 8.290 nan 0.000 0.747 185 D N 1.219 121.709 120.400 0.150 0.000 2.378 185 D HA 0.103 4.742 4.640 -0.001 0.000 0.227 185 D C -0.076 176.234 176.300 0.018 0.000 1.012 185 D CA 0.877 54.926 54.000 0.082 0.000 0.905 185 D CB -0.069 40.761 40.800 0.050 0.000 0.895 185 D HN 0.292 nan 8.370 nan 0.000 0.532 186 D N -0.060 120.419 120.400 0.131 0.000 2.350 186 D HA 0.346 4.985 4.640 -0.001 0.000 0.238 186 D C -0.476 175.897 176.300 0.122 0.000 0.989 186 D CA -0.636 53.416 54.000 0.085 0.000 0.921 186 D CB 2.239 43.095 40.800 0.093 0.000 1.297 186 D HN -0.168 nan 8.370 nan 0.000 0.490 187 L N 1.482 122.702 121.223 -0.005 0.000 2.322 187 L HA 0.319 4.658 4.340 -0.001 0.000 0.281 187 L C -1.271 175.597 176.870 -0.004 0.000 1.014 187 L CA -0.634 54.242 54.840 0.060 0.000 0.815 187 L CB 0.913 42.970 42.059 -0.003 0.000 1.247 187 L HN 0.237 nan 8.230 nan 0.000 0.421 188 Y N 3.653 123.997 120.300 0.072 0.000 2.356 188 Y HA 0.512 5.061 4.550 -0.001 0.000 0.334 188 Y C -0.141 175.837 175.900 0.129 0.000 0.958 188 Y CA -1.000 57.183 58.100 0.138 0.000 1.196 188 Y CB 1.464 40.067 38.460 0.238 0.000 1.137 188 Y HN 0.165 nan 8.280 nan 0.000 0.485 189 V N 3.592 123.615 119.914 0.181 0.000 2.328 189 V HA 0.737 4.857 4.120 -0.001 0.000 0.278 189 V C 0.453 176.676 176.094 0.214 0.000 1.021 189 V CA -0.698 61.699 62.300 0.162 0.000 0.838 189 V CB 1.063 32.929 31.823 0.071 0.000 0.999 189 V HN 0.895 nan 8.190 nan 0.000 0.447 190 G N 3.075 111.991 108.800 0.194 0.000 2.448 190 G HA2 0.766 4.725 3.960 -0.001 0.000 0.324 190 G HA3 0.766 4.725 3.960 -0.001 0.000 0.324 190 G C -0.504 174.492 174.900 0.161 0.000 1.203 190 G CA -0.138 45.058 45.100 0.160 0.000 0.954 190 G HN 0.938 nan 8.290 nan 0.000 0.480 191 S N -0.452 115.336 115.700 0.147 0.000 2.656 191 S HA 0.503 4.972 4.470 -0.001 0.000 0.273 191 S C -0.928 173.697 174.600 0.042 0.000 1.168 191 S CA -0.749 57.531 58.200 0.134 0.000 0.817 191 S CB 2.241 65.598 63.200 0.262 0.000 1.146 191 S HN 0.345 nan 8.310 nan 0.000 0.475 192 D N 0.731 121.153 120.400 0.036 0.000 2.440 192 D HA 0.311 4.950 4.640 -0.001 0.000 0.216 192 D C 0.588 176.896 176.300 0.014 0.000 1.150 192 D CA -0.019 53.979 54.000 -0.002 0.000 0.832 192 D CB 0.203 40.995 40.800 -0.014 0.000 0.992 192 D HN 0.429 nan 8.370 nan 0.000 0.502 193 L N 0.663 121.921 121.223 0.059 0.000 2.394 193 L HA 0.058 4.397 4.340 -0.001 0.000 0.229 193 L C 1.137 178.035 176.870 0.046 0.000 1.225 193 L CA -0.017 54.860 54.840 0.062 0.000 0.829 193 L CB 0.243 42.364 42.059 0.104 0.000 1.195 193 L HN -0.175 nan 8.230 nan 0.000 0.548 194 E N 0.219 120.444 120.200 0.042 0.000 2.313 194 E HA 0.158 4.508 4.350 -0.001 0.000 0.272 194 E C 1.195 177.831 176.600 0.060 0.000 1.038 194 E CA -0.237 56.178 56.400 0.025 0.000 0.863 194 E CB 1.335 31.041 29.700 0.011 0.000 1.060 194 E HN 0.406 nan 8.360 nan 0.000 0.402 195 I N 1.037 121.629 120.570 0.038 0.000 2.147 195 I HA -0.353 3.816 4.170 -0.001 0.000 0.245 195 I C 2.078 178.251 176.117 0.093 0.000 1.059 195 I CA 1.971 63.314 61.300 0.071 0.000 1.320 195 I CB -0.664 37.349 38.000 0.022 0.000 1.021 195 I HN 0.595 nan 8.210 nan 0.000 0.415 196 G N 0.017 108.848 108.800 0.052 0.000 2.421 196 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.216 196 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.216 196 G C 1.595 176.524 174.900 0.049 0.000 1.171 196 G CA 0.556 45.681 45.100 0.043 0.000 0.775 196 G HN 0.472 nan 8.290 nan 0.000 0.543 197 Q N -0.651 119.180 119.800 0.053 0.000 2.016 197 Q HA -0.111 4.228 4.340 -0.001 0.000 0.200 197 Q C 2.262 178.294 176.000 0.053 0.000 0.978 197 Q CA 1.411 57.241 55.803 0.044 0.000 0.833 197 Q CB -0.348 28.414 28.738 0.040 0.000 0.895 197 Q HN 0.700 nan 8.270 nan 0.000 0.427 198 H N 1.169 120.251 119.070 0.021 0.000 2.265 198 H HA -0.136 4.419 4.556 -0.001 0.000 0.293 198 H C 2.024 177.373 175.328 0.034 0.000 1.089 198 H CA 2.117 58.182 56.048 0.029 0.000 1.244 198 H CB 0.131 29.906 29.762 0.022 0.000 1.355 198 H HN 0.044 nan 8.280 nan 0.000 0.485 199 R N -0.853 119.667 120.500 0.034 0.000 2.096 199 R HA -0.108 4.231 4.340 -0.001 0.000 0.235 199 R C 2.399 178.677 176.300 -0.037 0.000 1.127 199 R CA 1.683 57.777 56.100 -0.010 0.000 0.968 199 R CB -0.392 29.943 30.300 0.059 0.000 0.861 199 R HN 0.403 nan 8.270 nan 0.000 0.440 200 T N 1.016 115.564 114.554 -0.011 0.000 2.708 200 T HA -0.155 4.194 4.350 -0.001 0.000 0.266 200 T C 1.732 176.433 174.700 0.002 0.000 1.037 200 T CA 1.435 63.536 62.100 0.003 0.000 1.146 200 T CB -0.110 68.766 68.868 0.012 0.000 0.865 200 T HN 0.055 nan 8.240 nan 0.000 0.435 201 K N 0.973 121.362 120.400 -0.018 0.000 2.097 201 K HA 0.024 4.343 4.320 -0.001 0.000 0.206 201 K C 2.033 178.659 176.600 0.042 0.000 1.049 201 K CA 0.940 57.245 56.287 0.030 0.000 0.933 201 K CB -0.637 31.863 32.500 -0.001 0.000 0.717 201 K HN 0.225 nan 8.250 nan 0.000 0.442 202 I N 0.827 121.333 120.570 -0.108 0.000 2.226 202 I HA -0.209 3.961 4.170 -0.001 0.000 0.245 202 I C 2.026 178.121 176.117 -0.037 0.000 1.100 202 I CA 1.315 62.549 61.300 -0.111 0.000 1.374 202 I CB -0.877 37.029 38.000 -0.158 0.000 1.057 202 I HN 0.281 nan 8.210 nan 0.000 0.413 203 E N 1.313 121.508 120.200 -0.008 0.000 2.160 203 E HA -0.221 4.128 4.350 -0.001 0.000 0.195 203 E C 2.003 178.640 176.600 0.061 0.000 0.991 203 E CA 1.339 57.752 56.400 0.023 0.000 0.810 203 E CB -0.073 29.644 29.700 0.027 0.000 0.742 203 E HN 0.485 nan 8.360 nan 0.000 0.466 204 E N -0.579 119.686 120.200 0.110 0.000 2.152 204 E HA -0.143 4.206 4.350 -0.001 0.000 0.192 204 E C 1.921 178.658 176.600 0.229 0.000 0.983 204 E CA 0.708 57.222 56.400 0.190 0.000 0.818 204 E CB -0.129 29.719 29.700 0.247 0.000 0.758 204 E HN 0.179 nan 8.360 nan 0.000 0.467 205 L N 1.579 122.853 121.223 0.086 0.000 2.017 205 L HA -0.149 4.190 4.340 -0.001 0.000 0.208 205 L C 2.070 178.893 176.870 -0.077 0.000 1.073 205 L CA 1.679 56.352 54.840 -0.278 0.000 0.745 205 L CB -0.280 41.398 42.059 -0.635 0.000 0.894 205 L HN -0.058 nan 8.230 nan 0.000 0.432 206 R N -0.399 120.077 120.500 -0.040 0.000 2.097 206 R HA -0.174 4.165 4.340 -0.001 0.000 0.236 206 R C 2.101 178.420 176.300 0.032 0.000 1.135 206 R CA 1.677 57.767 56.100 -0.015 0.000 0.934 206 R CB -1.034 29.263 30.300 -0.005 0.000 0.846 206 R HN 0.510 nan 8.270 nan 0.000 0.431 207 Q N -0.116 119.725 119.800 0.069 0.000 2.234 207 Q HA -0.185 4.154 4.340 -0.001 0.000 0.206 207 Q C 1.985 178.073 176.000 0.148 0.000 0.980 207 Q CA 1.521 57.381 55.803 0.095 0.000 0.869 207 Q CB -0.559 28.239 28.738 0.100 0.000 0.912 207 Q HN 0.538 nan 8.270 nan 0.000 0.436 208 H N 0.588 119.709 119.070 0.085 0.000 2.363 208 H HA 0.016 4.571 4.556 -0.001 0.000 0.301 208 H C 1.955 177.365 175.328 0.136 0.000 1.074 208 H CA 1.304 57.437 56.048 0.141 0.000 1.354 208 H CB -0.182 29.690 29.762 0.183 0.000 1.397 208 H HN 0.114 nan 8.280 nan 0.000 0.516 209 L N -0.666 120.535 121.223 -0.037 0.000 2.046 209 L HA -0.142 4.197 4.340 -0.001 0.000 0.208 209 L C 2.402 179.240 176.870 -0.054 0.000 1.077 209 L CA 0.761 55.542 54.840 -0.099 0.000 0.747 209 L CB -0.528 41.495 42.059 -0.059 0.000 0.896 209 L HN 0.243 nan 8.230 nan 0.000 0.432 210 L N 0.422 121.642 121.223 -0.006 0.000 1.970 210 L HA -0.223 4.116 4.340 -0.001 0.000 0.212 210 L C 2.950 179.847 176.870 0.045 0.000 1.071 210 L CA 2.030 56.879 54.840 0.015 0.000 0.751 210 L CB -0.570 41.506 42.059 0.028 0.000 0.889 210 L HN 0.293 nan 8.230 nan 0.000 0.432 211 R N -1.925 118.625 120.500 0.084 0.000 2.119 211 R HA -0.184 4.155 4.340 -0.001 0.000 0.222 211 R C 2.097 178.556 176.300 0.266 0.000 1.088 211 R CA 1.559 57.745 56.100 0.144 0.000 0.984 211 R CB -0.919 29.467 30.300 0.144 0.000 0.884 211 R HN 0.573 nan 8.270 nan 0.000 0.447 212 W N 0.681 121.909 121.300 -0.120 0.000 3.008 212 W HA 0.316 4.976 4.660 -0.001 0.000 0.355 212 W C 0.651 177.091 176.519 -0.132 0.000 1.095 212 W CA 0.109 57.377 57.345 -0.129 0.000 1.738 212 W CB 1.069 30.417 29.460 -0.187 0.000 1.091 212 W HN 0.291 nan 8.180 nan 0.000 0.574 213 G N 0.172 108.904 108.800 -0.113 0.000 2.570 213 G HA2 -0.018 3.941 3.960 -0.001 0.000 0.209 213 G HA3 -0.018 3.941 3.960 -0.001 0.000 0.209 213 G C 0.915 175.744 174.900 -0.118 0.000 1.168 213 G CA 0.366 45.354 45.100 -0.186 0.000 0.831 213 G HN 0.160 nan 8.290 nan 0.000 0.564 214 L N 1.084 122.284 121.223 -0.039 0.000 3.938 214 L HA -0.155 4.185 4.340 -0.001 0.000 0.405 214 L C 0.398 177.257 176.870 -0.018 0.000 1.202 214 L CA 0.221 55.057 54.840 -0.007 0.000 0.920 214 L CB -2.207 39.855 42.059 0.005 0.000 2.054 214 L HN 0.584 nan 8.230 nan 0.000 0.815 215 T N -3.964 110.572 114.554 -0.031 0.000 2.945 215 T HA 0.668 5.017 4.350 -0.001 0.000 0.286 215 T C 0.137 174.803 174.700 -0.057 0.000 1.025 215 T CA -0.440 61.632 62.100 -0.046 0.000 1.039 215 T CB 2.270 71.118 68.868 -0.033 0.000 1.068 215 T HN 0.094 nan 8.240 nan 0.000 0.497 216 T N 3.932 118.432 114.554 -0.089 0.000 2.892 216 T HA 0.517 4.866 4.350 -0.001 0.000 0.311 216 T C -2.737 171.904 174.700 -0.099 0.000 1.033 216 T CA -0.907 61.145 62.100 -0.079 0.000 0.991 216 T CB 1.308 70.134 68.868 -0.070 0.000 0.981 216 T HN 0.603 nan 8.240 nan 0.000 0.457 217 P HA 0.390 nan 4.420 nan 0.000 0.300 217 P C -0.992 176.275 177.300 -0.055 0.000 1.326 217 P CA -0.722 62.330 63.100 -0.081 0.000 0.844 217 P CB 0.997 32.654 31.700 -0.071 0.000 0.992 218 D N 1.888 122.254 120.400 -0.056 0.000 2.382 218 D HA 0.077 4.717 4.640 -0.001 0.000 0.245 218 D C 0.168 176.467 176.300 -0.001 0.000 1.120 218 D CA -0.448 53.534 54.000 -0.029 0.000 0.890 218 D CB 0.463 41.243 40.800 -0.032 0.000 1.201 218 D HN 0.267 nan 8.370 nan 0.000 0.433 219 K N 1.263 121.673 120.400 0.017 0.000 2.187 219 K HA 0.120 4.440 4.320 -0.001 0.000 0.242 219 K C -0.433 176.221 176.600 0.089 0.000 1.179 219 K CA -0.675 55.640 56.287 0.046 0.000 1.097 219 K CB 0.154 32.681 32.500 0.044 0.000 1.634 219 K HN 0.241 nan 8.250 nan 0.000 0.335 220 K N 4.503 124.962 120.400 0.099 0.000 2.054 220 K HA -0.035 4.285 4.320 -0.001 0.000 0.242 220 K C 0.485 177.195 176.600 0.183 0.000 1.157 220 K CA -0.224 56.159 56.287 0.160 0.000 1.079 220 K CB -0.267 32.331 32.500 0.164 0.000 1.331 220 K HN 0.619 nan 8.250 nan 0.000 0.317 221 H N 1.816 120.925 119.070 0.065 0.000 3.025 221 H HA -0.133 4.423 4.556 -0.001 0.000 0.365 221 H C 0.073 175.460 175.328 0.098 0.000 1.204 221 H CA 0.239 56.326 56.048 0.064 0.000 1.406 221 H CB 0.565 30.355 29.762 0.047 0.000 1.355 221 H HN 0.552 nan 8.280 nan 0.000 0.610 222 Q N 1.228 120.806 119.800 -0.370 0.000 2.584 222 Q HA 0.089 4.428 4.340 -0.001 0.000 0.235 222 Q C -0.352 175.386 176.000 -0.436 0.000 1.079 222 Q CA -0.552 55.060 55.803 -0.318 0.000 0.977 222 Q CB 0.611 29.273 28.738 -0.126 0.000 1.293 222 Q HN 0.584 nan 8.270 nan 0.000 0.553 223 K N 0.606 120.964 120.400 -0.071 0.000 2.604 223 K HA -0.236 4.083 4.320 -0.001 0.000 0.278 223 K C 0.450 177.088 176.600 0.063 0.000 0.975 223 K CA 1.153 57.501 56.287 0.102 0.000 1.066 223 K CB 0.256 32.840 32.500 0.139 0.000 0.840 223 K HN 0.769 nan 8.250 nan 0.000 0.491 224 E N 2.077 122.343 120.200 0.109 0.000 2.354 224 E HA 0.069 4.419 4.350 -0.001 0.000 0.203 224 E C -1.581 175.067 176.600 0.079 0.000 0.841 224 E CA -0.162 56.289 56.400 0.085 0.000 1.046 224 E CB 0.383 30.124 29.700 0.069 0.000 1.040 224 E HN 0.471 nan 8.360 nan 0.000 0.504 225 P HA 0.283 nan 4.420 nan 0.000 0.301 225 P C -2.636 174.807 177.300 0.239 0.000 1.350 225 P CA -1.639 61.530 63.100 0.116 0.000 0.941 225 P CB 1.461 33.192 31.700 0.053 0.000 1.128 226 P HA -0.003 nan 4.420 nan 0.000 0.218 226 P C -0.659 176.845 177.300 0.341 0.000 1.473 226 P CA 0.844 64.079 63.100 0.226 0.000 0.957 226 P CB -0.496 31.306 31.700 0.171 0.000 1.772 227 F N -0.703 119.355 119.950 0.180 0.000 1.752 227 F HA 0.231 4.757 4.527 -0.001 0.000 0.241 227 F C 0.222 175.915 175.800 -0.179 0.000 1.241 227 F CA -0.014 58.020 58.000 0.055 0.000 1.308 227 F CB 0.425 39.490 39.000 0.108 0.000 1.944 227 F HN -0.293 nan 8.300 nan 0.000 0.212 228 L N 0.447 121.427 121.223 -0.404 0.000 2.725 228 L HA 0.262 4.601 4.340 -0.001 0.000 0.270 228 L C -2.019 173.885 176.870 -1.610 0.000 1.422 228 L CA 0.014 54.299 54.840 -0.924 0.000 0.770 228 L CB 0.458 42.018 42.059 -0.830 0.000 1.081 228 L HN 0.180 nan 8.230 nan 0.000 0.527 229 W N 2.534 123.825 121.300 -0.014 0.000 2.443 229 W HA 0.705 5.364 4.660 -0.001 0.000 0.303 229 W C -0.170 176.304 176.519 -0.075 0.000 0.991 229 W CA -0.451 56.875 57.345 -0.033 0.000 1.522 229 W CB 1.334 30.782 29.460 -0.020 0.000 1.315 229 W HN -0.009 nan 8.180 nan 0.000 0.419 230 M N 2.935 122.560 119.600 0.041 0.000 2.390 230 M HA 0.317 4.796 4.480 -0.001 0.000 0.235 230 M C 0.660 176.985 176.300 0.043 0.000 0.977 230 M CA 0.735 56.053 55.300 0.031 0.000 0.868 230 M CB 0.935 33.532 32.600 -0.004 0.000 2.263 230 M HN 0.666 nan 8.290 nan 0.000 0.456 231 G N 4.768 113.618 108.800 0.084 0.000 2.672 231 G HA2 -0.337 3.623 3.960 -0.001 0.000 0.332 231 G HA3 -0.337 3.623 3.960 -0.001 0.000 0.332 231 G C -0.774 174.224 174.900 0.164 0.000 1.213 231 G CA 1.217 46.369 45.100 0.087 0.000 0.980 231 G HN 1.354 nan 8.290 nan 0.000 0.548 232 Y N 1.489 121.744 120.300 -0.074 0.000 2.301 232 Y HA 0.537 5.087 4.550 -0.001 0.000 0.334 232 Y C -0.585 175.212 175.900 -0.173 0.000 1.158 232 Y CA -0.151 57.864 58.100 -0.141 0.000 1.266 232 Y CB 0.937 39.343 38.460 -0.090 0.000 1.153 232 Y HN 0.619 nan 8.280 nan 0.000 0.453 233 E N 6.896 126.837 120.200 -0.432 0.000 2.052 233 E HA 0.399 4.748 4.350 -0.001 0.000 0.283 233 E C -1.086 175.153 176.600 -0.602 0.000 1.071 233 E CA -0.251 55.892 56.400 -0.429 0.000 0.851 233 E CB 0.476 29.981 29.700 -0.325 0.000 1.066 233 E HN 0.693 nan 8.360 nan 0.000 0.396 234 L N 3.724 124.640 121.223 -0.511 0.000 2.375 234 L HA 0.422 4.761 4.340 -0.001 0.000 0.268 234 L C 0.224 176.659 176.870 -0.725 0.000 1.058 234 L CA -0.933 53.674 54.840 -0.388 0.000 0.803 234 L CB 1.239 43.281 42.059 -0.028 0.000 1.212 234 L HN 0.536 nan 8.230 nan 0.000 0.451 235 H N 1.096 120.038 119.070 -0.214 0.000 2.514 235 H HA 0.144 4.699 4.556 -0.001 0.000 0.226 235 H C -1.994 172.962 175.328 -0.620 0.000 1.421 235 H CA -1.303 54.549 56.048 -0.327 0.000 1.394 235 H CB 0.804 30.437 29.762 -0.214 0.000 1.701 235 H HN 0.417 nan 8.280 nan 0.000 0.515 236 P HA -0.212 nan 4.420 nan 0.000 0.217 236 P C 1.253 178.044 177.300 -0.848 0.000 1.148 236 P CA 1.384 63.381 63.100 -1.838 0.000 0.834 236 P CB 0.337 31.120 31.700 -1.529 0.000 0.783 237 D N -0.199 119.929 120.400 -0.453 0.000 2.351 237 D HA -0.161 4.478 4.640 -0.001 0.000 0.216 237 D C 1.016 177.232 176.300 -0.140 0.000 0.968 237 D CA 0.937 54.800 54.000 -0.229 0.000 0.899 237 D CB -0.319 40.384 40.800 -0.161 0.000 0.907 237 D HN 0.125 nan 8.370 nan 0.000 0.514 238 K N 0.028 120.335 120.400 -0.156 0.000 2.498 238 K HA 0.076 4.395 4.320 -0.001 0.000 0.207 238 K C -0.369 176.337 176.600 0.176 0.000 1.033 238 K CA -0.474 55.812 56.287 -0.002 0.000 1.138 238 K CB 0.017 32.519 32.500 0.003 0.000 0.860 238 K HN 0.152 nan 8.250 nan 0.000 0.490 239 W N 3.123 124.444 121.300 0.037 0.000 2.335 239 W HA 0.133 4.792 4.660 -0.001 0.000 0.306 239 W C 0.882 177.425 176.519 0.039 0.000 1.216 239 W CA -1.005 56.369 57.345 0.049 0.000 1.237 239 W CB 0.052 29.535 29.460 0.038 0.000 1.243 239 W HN -0.038 nan 8.180 nan 0.000 0.493 240 T N -0.315 114.394 114.554 0.259 0.000 2.770 240 T HA 0.648 4.997 4.350 -0.001 0.000 0.281 240 T C -0.286 174.476 174.700 0.104 0.000 0.981 240 T CA -0.704 61.484 62.100 0.147 0.000 0.955 240 T CB 1.392 70.327 68.868 0.112 0.000 1.060 240 T HN 0.071 nan 8.240 nan 0.000 0.531 241 V N 1.063 121.018 119.914 0.069 0.000 2.709 241 V HA 0.441 4.560 4.120 -0.001 0.000 0.308 241 V C -0.654 175.459 176.094 0.032 0.000 1.062 241 V CA -0.916 61.408 62.300 0.040 0.000 0.901 241 V CB 1.827 33.683 31.823 0.055 0.000 1.003 241 V HN 0.867 nan 8.190 nan 0.000 0.425 242 Q N 6.129 125.931 119.800 0.004 0.000 2.569 242 Q HA 0.395 4.734 4.340 -0.001 0.000 0.226 242 Q C -2.293 173.765 176.000 0.096 0.000 1.136 242 Q CA -1.748 54.074 55.803 0.032 0.000 0.947 242 Q CB 0.950 29.684 28.738 -0.007 0.000 1.218 242 Q HN 0.556 nan 8.270 nan 0.000 0.547 243 P HA 0.075 nan 4.420 nan 0.000 0.272 243 P C -0.354 177.020 177.300 0.122 0.000 1.240 243 P CA -0.295 62.881 63.100 0.127 0.000 0.791 243 P CB 1.097 32.844 31.700 0.078 0.000 0.978 244 I N 0.516 121.152 120.570 0.110 0.000 2.556 244 I HA 0.086 4.255 4.170 -0.001 0.000 0.284 244 I C 0.744 176.836 176.117 -0.042 0.000 1.114 244 I CA 0.122 61.447 61.300 0.041 0.000 1.418 244 I CB 0.812 38.791 38.000 -0.034 0.000 1.394 244 I HN 0.041 nan 8.210 nan 0.000 0.552 245 V N 7.949 127.822 119.914 -0.068 0.000 2.680 245 V HA 0.519 4.638 4.120 -0.001 0.000 0.309 245 V C -0.515 175.520 176.094 -0.098 0.000 1.052 245 V CA -0.673 61.581 62.300 -0.076 0.000 0.908 245 V CB 1.973 33.760 31.823 -0.060 0.000 1.001 245 V HN 0.442 nan 8.190 nan 0.000 0.431 246 L N 8.172 129.364 121.223 -0.052 0.000 2.296 246 L HA 0.557 4.896 4.340 -0.001 0.000 0.286 246 L C -2.053 174.831 176.870 0.023 0.000 1.023 246 L CA -1.807 53.028 54.840 -0.009 0.000 0.812 246 L CB 1.764 43.836 42.059 0.023 0.000 1.223 246 L HN 0.512 nan 8.230 nan 0.000 0.421 247 P HA -0.028 nan 4.420 nan 0.000 0.266 247 P C -0.838 176.453 177.300 -0.015 0.000 1.186 247 P CA 0.122 63.209 63.100 -0.022 0.000 0.767 247 P CB 0.769 32.425 31.700 -0.072 0.000 0.820 248 E N 1.882 122.043 120.200 -0.065 0.000 2.156 248 E HA 0.283 4.632 4.350 -0.001 0.000 0.279 248 E C -0.094 176.389 176.600 -0.196 0.000 0.965 248 E CA -0.759 55.618 56.400 -0.038 0.000 0.789 248 E CB 1.096 30.787 29.700 -0.016 0.000 1.098 248 E HN 0.241 nan 8.360 nan 0.000 0.397 249 K N 2.609 122.865 120.400 -0.240 0.000 2.259 249 K HA 0.168 4.488 4.320 -0.001 0.000 0.252 249 K C -0.142 176.310 176.600 -0.246 0.000 0.936 249 K CA -0.517 55.437 56.287 -0.555 0.000 0.810 249 K CB 1.666 33.025 32.500 -1.901 0.000 1.143 249 K HN 0.471 nan 8.250 nan 0.000 0.427 250 D N 0.211 120.453 120.400 -0.264 0.000 2.278 250 D HA -0.088 4.551 4.640 -0.001 0.000 0.228 250 D C 0.525 176.779 176.300 -0.076 0.000 1.020 250 D CA 0.707 54.639 54.000 -0.114 0.000 0.922 250 D CB -0.294 40.444 40.800 -0.102 0.000 1.051 250 D HN 0.404 nan 8.370 nan 0.000 0.452 251 S N -1.041 114.579 115.700 -0.133 0.000 2.502 251 S HA 0.516 4.986 4.470 -0.001 0.000 0.304 251 S C -1.358 173.193 174.600 -0.081 0.000 1.097 251 S CA -0.988 57.201 58.200 -0.019 0.000 1.045 251 S CB 1.053 64.250 63.200 -0.006 0.000 1.019 251 S HN 0.195 nan 8.310 nan 0.000 0.481 252 W N 2.154 123.453 121.300 -0.001 0.000 2.438 252 W HA 0.587 5.247 4.660 -0.001 0.000 0.324 252 W C 0.752 177.270 176.519 -0.001 0.000 1.119 252 W CA -0.364 56.980 57.345 -0.001 0.000 1.221 252 W CB 1.661 31.120 29.460 -0.002 0.000 1.253 252 W HN 0.849 nan 8.180 nan 0.000 0.555 253 T N -2.057 112.624 114.554 0.212 0.000 2.950 253 T HA 0.358 4.707 4.350 -0.001 0.000 0.288 253 T C 0.689 175.471 174.700 0.137 0.000 1.035 253 T CA -0.830 61.347 62.100 0.128 0.000 1.028 253 T CB 1.347 70.254 68.868 0.065 0.000 1.109 253 T HN 0.199 nan 8.240 nan 0.000 0.514 254 V N 1.780 121.747 119.914 0.087 0.000 2.282 254 V HA -0.243 3.876 4.120 -0.001 0.000 0.249 254 V C 2.972 179.110 176.094 0.075 0.000 1.057 254 V CA 2.404 64.745 62.300 0.068 0.000 1.032 254 V CB -1.067 30.782 31.823 0.042 0.000 0.645 254 V HN 1.045 nan 8.190 nan 0.000 0.447 255 N N 0.082 118.821 118.700 0.065 0.000 2.149 255 N HA -0.228 4.511 4.740 -0.001 0.000 0.188 255 N C 1.488 177.050 175.510 0.086 0.000 1.019 255 N CA 1.940 55.024 53.050 0.058 0.000 0.857 255 N CB -0.175 38.334 38.487 0.037 0.000 0.997 255 N HN 0.507 nan 8.380 nan 0.000 0.426 256 D N 0.846 121.322 120.400 0.127 0.000 2.097 256 D HA -0.051 4.588 4.640 -0.001 0.000 0.197 256 D C 2.124 178.592 176.300 0.279 0.000 0.984 256 D CA 0.672 54.787 54.000 0.191 0.000 0.826 256 D CB -0.191 40.745 40.800 0.228 0.000 0.973 256 D HN 0.412 nan 8.370 nan 0.000 0.460 257 I N 0.802 121.528 120.570 0.260 0.000 2.315 257 I HA -0.245 3.924 4.170 -0.001 0.000 0.248 257 I C 2.456 178.623 176.117 0.083 0.000 1.117 257 I CA 0.868 62.256 61.300 0.148 0.000 1.404 257 I CB -0.261 37.760 38.000 0.036 0.000 1.071 257 I HN -0.018 nan 8.210 nan 0.000 0.419 258 Q N 0.849 120.694 119.800 0.074 0.000 2.061 258 Q HA -0.217 4.122 4.340 -0.001 0.000 0.204 258 Q C 2.287 178.319 176.000 0.054 0.000 0.984 258 Q CA 1.454 57.285 55.803 0.048 0.000 0.846 258 Q CB -0.047 28.715 28.738 0.041 0.000 0.902 258 Q HN 0.388 nan 8.270 nan 0.000 0.421 259 K N 0.468 120.911 120.400 0.073 0.000 2.057 259 K HA -0.167 4.152 4.320 -0.001 0.000 0.207 259 K C 2.131 178.778 176.600 0.078 0.000 1.049 259 K CA 0.802 57.130 56.287 0.069 0.000 0.931 259 K CB -0.497 32.051 32.500 0.082 0.000 0.714 259 K HN 0.158 nan 8.250 nan 0.000 0.440 260 L N 1.324 122.616 121.223 0.115 0.000 2.017 260 L HA -0.141 4.198 4.340 -0.001 0.000 0.208 260 L C 2.190 179.090 176.870 0.050 0.000 1.073 260 L CA 1.408 56.313 54.840 0.110 0.000 0.745 260 L CB -0.491 41.672 42.059 0.174 0.000 0.894 260 L HN -0.144 nan 8.230 nan 0.000 0.432 261 V N 0.097 120.030 119.914 0.032 0.000 2.407 261 V HA -0.199 3.921 4.120 -0.001 0.000 0.248 261 V C 2.571 178.681 176.094 0.025 0.000 1.055 261 V CA 1.681 63.987 62.300 0.011 0.000 1.049 261 V CB -1.446 30.377 31.823 0.000 0.000 0.662 261 V HN 0.655 nan 8.190 nan 0.000 0.455 262 G N -0.443 108.378 108.800 0.035 0.000 2.404 262 G HA2 -0.301 3.658 3.960 -0.001 0.000 0.215 262 G HA3 -0.301 3.658 3.960 -0.001 0.000 0.215 262 G C 1.629 176.571 174.900 0.069 0.000 1.174 262 G CA 1.060 46.185 45.100 0.042 0.000 0.780 262 G HN 0.496 nan 8.290 nan 0.000 0.537 263 K N -0.088 120.349 120.400 0.061 0.000 2.026 263 K HA 0.088 4.407 4.320 -0.001 0.000 0.208 263 K C 2.518 179.208 176.600 0.151 0.000 1.048 263 K CA 0.790 57.140 56.287 0.104 0.000 0.929 263 K CB -0.289 32.236 32.500 0.041 0.000 0.713 263 K HN 0.310 nan 8.250 nan 0.000 0.439 264 L N 0.953 122.207 121.223 0.052 0.000 2.046 264 L HA -0.209 4.130 4.340 -0.001 0.000 0.208 264 L C 2.346 179.206 176.870 -0.017 0.000 1.077 264 L CA 1.429 56.263 54.840 -0.010 0.000 0.747 264 L CB -0.568 41.472 42.059 -0.031 0.000 0.896 264 L HN 0.353 nan 8.230 nan 0.000 0.432 265 N N -0.341 118.372 118.700 0.021 0.000 2.043 265 N HA -0.289 4.450 4.740 -0.001 0.000 0.193 265 N C 1.662 177.180 175.510 0.014 0.000 1.037 265 N CA 1.704 54.763 53.050 0.015 0.000 0.851 265 N CB -0.367 38.142 38.487 0.038 0.000 1.027 265 N HN 0.384 nan 8.380 nan 0.000 0.422 266 W N 1.338 122.564 121.300 -0.123 0.000 2.338 266 W HA -0.098 4.561 4.660 -0.001 0.000 0.304 266 W C 2.174 178.551 176.519 -0.236 0.000 1.212 266 W CA 2.354 59.590 57.345 -0.182 0.000 1.264 266 W CB -0.855 28.478 29.460 -0.211 0.000 1.142 266 W HN 0.153 nan 8.180 nan 0.000 0.512 267 A N 0.502 123.021 122.820 -0.502 0.000 1.978 267 A HA -0.246 4.073 4.320 -0.001 0.000 0.220 267 A C 2.153 179.462 177.584 -0.457 0.000 1.170 267 A CA 2.641 54.221 52.037 -0.761 0.000 0.636 267 A CB -1.632 17.123 19.000 -0.408 0.000 0.810 267 A HN 0.513 nan 8.150 nan 0.000 0.448 268 S N -0.227 115.305 115.700 -0.280 0.000 2.462 268 S HA -0.256 4.213 4.470 -0.001 0.000 0.243 268 S C 1.554 176.040 174.600 -0.192 0.000 1.003 268 S CA 1.550 59.652 58.200 -0.164 0.000 0.970 268 S CB -0.596 62.544 63.200 -0.100 0.000 0.762 268 S HN 0.722 nan 8.310 nan 0.000 0.510 269 Q N -0.191 119.402 119.800 -0.345 0.000 2.444 269 Q HA 0.336 4.675 4.340 -0.001 0.000 0.206 269 Q C 1.350 177.163 176.000 -0.312 0.000 0.948 269 Q CA 0.638 56.262 55.803 -0.299 0.000 0.946 269 Q CB -0.053 28.402 28.738 -0.472 0.000 1.027 269 Q HN 0.702 nan 8.270 nan 0.000 0.513 270 I N -2.271 118.093 120.570 -0.345 0.000 4.046 270 I HA 0.040 4.209 4.170 -0.001 0.000 0.285 270 I C -0.365 175.555 176.117 -0.327 0.000 1.183 270 I CA -0.037 61.064 61.300 -0.333 0.000 1.337 270 I CB 0.689 38.436 38.000 -0.422 0.000 1.478 270 I HN -0.040 nan 8.210 nan 0.000 0.452 271 Y N 3.712 123.877 120.300 -0.225 0.000 2.417 271 Y HA 0.300 4.850 4.550 -0.001 0.000 0.336 271 Y C -1.579 174.250 175.900 -0.118 0.000 0.961 271 Y CA -2.699 55.314 58.100 -0.144 0.000 1.215 271 Y CB 0.165 38.536 38.460 -0.147 0.000 1.120 271 Y HN -0.034 nan 8.280 nan 0.000 0.499 272 P HA -0.133 nan 4.420 nan 0.000 0.218 272 P C 1.408 178.717 177.300 0.015 0.000 1.149 272 P CA 1.590 64.693 63.100 0.006 0.000 0.817 272 P CB 0.334 32.033 31.700 -0.002 0.000 0.785 273 G N 0.272 109.094 108.800 0.037 0.000 2.484 273 G HA2 -0.042 3.917 3.960 -0.001 0.000 0.218 273 G HA3 -0.042 3.917 3.960 -0.001 0.000 0.218 273 G C 0.926 175.826 174.900 0.000 0.000 1.130 273 G CA -0.172 44.941 45.100 0.021 0.000 0.784 273 G HN 0.250 nan 8.290 nan 0.000 0.543 274 I N 0.675 121.242 120.570 -0.006 0.000 2.775 274 I HA 0.107 4.276 4.170 -0.001 0.000 0.290 274 I C 0.061 176.154 176.117 -0.039 0.000 1.203 274 I CA 0.777 62.052 61.300 -0.043 0.000 1.433 274 I CB 0.527 38.483 38.000 -0.073 0.000 1.354 274 I HN -0.019 nan 8.210 nan 0.000 0.579 275 K N 4.723 125.096 120.400 -0.045 0.000 2.468 275 K HA 0.397 4.716 4.320 -0.001 0.000 0.252 275 K C -0.008 176.563 176.600 -0.048 0.000 0.932 275 K CA -0.630 55.633 56.287 -0.040 0.000 0.794 275 K CB 2.722 35.202 32.500 -0.034 0.000 1.241 275 K HN 0.498 nan 8.250 nan 0.000 0.428 276 V N -0.343 119.546 119.914 -0.043 0.000 3.276 276 V HA 0.189 4.308 4.120 -0.001 0.000 0.319 276 V C 1.658 177.724 176.094 -0.047 0.000 1.427 276 V CA -0.016 62.255 62.300 -0.048 0.000 1.102 276 V CB 0.018 31.818 31.823 -0.038 0.000 1.020 276 V HN 0.776 nan 8.190 nan 0.000 0.456 277 R N 0.637 121.112 120.500 -0.042 0.000 2.096 277 R HA -0.151 4.188 4.340 -0.001 0.000 0.229 277 R C 2.230 178.502 176.300 -0.047 0.000 1.134 277 R CA 2.374 58.451 56.100 -0.038 0.000 0.917 277 R CB -0.284 29.997 30.300 -0.032 0.000 0.832 277 R HN 0.487 nan 8.270 nan 0.000 0.430 278 Q N 0.273 120.041 119.800 -0.053 0.000 2.439 278 Q HA -0.106 4.233 4.340 -0.001 0.000 0.211 278 Q C 2.011 177.960 176.000 -0.085 0.000 0.978 278 Q CA 0.951 56.716 55.803 -0.063 0.000 0.897 278 Q CB 0.111 28.811 28.738 -0.063 0.000 0.956 278 Q HN 0.495 nan 8.270 nan 0.000 0.483 279 L N -0.830 120.337 121.223 -0.093 0.000 2.253 279 L HA -0.027 4.312 4.340 -0.001 0.000 0.205 279 L C 2.226 179.037 176.870 -0.098 0.000 1.078 279 L CA 0.424 55.189 54.840 -0.124 0.000 0.805 279 L CB -0.047 41.931 42.059 -0.136 0.000 0.963 279 L HN 0.020 nan 8.230 nan 0.000 0.459 280 S N -0.100 115.560 115.700 -0.067 0.000 2.383 280 S HA -0.150 4.319 4.470 -0.001 0.000 0.227 280 S C 1.820 176.394 174.600 -0.042 0.000 1.026 280 S CA 0.982 59.154 58.200 -0.046 0.000 0.981 280 S CB -0.122 63.059 63.200 -0.033 0.000 0.818 280 S HN 0.287 nan 8.310 nan 0.000 0.472 281 K N 0.656 121.030 120.400 -0.045 0.000 2.228 281 K HA -0.129 4.190 4.320 -0.001 0.000 0.205 281 K C 1.329 177.906 176.600 -0.039 0.000 1.045 281 K CA 0.980 57.244 56.287 -0.038 0.000 0.931 281 K CB -0.405 32.071 32.500 -0.039 0.000 0.727 281 K HN 0.249 nan 8.250 nan 0.000 0.458 282 L N 0.338 121.529 121.223 -0.053 0.000 2.552 282 L HA -0.061 4.278 4.340 -0.001 0.000 0.227 282 L C 1.692 178.544 176.870 -0.030 0.000 1.146 282 L CA 1.004 55.814 54.840 -0.049 0.000 0.858 282 L CB -0.076 41.935 42.059 -0.079 0.000 0.969 282 L HN 0.112 nan 8.230 nan 0.000 0.451 283 L N -1.555 119.653 121.223 -0.026 0.000 2.554 283 L HA 0.130 4.469 4.340 -0.001 0.000 0.225 283 L C 0.872 177.737 176.870 -0.008 0.000 1.104 283 L CA -0.277 54.556 54.840 -0.012 0.000 0.866 283 L CB -0.075 41.978 42.059 -0.009 0.000 1.047 283 L HN 0.032 nan 8.230 nan 0.000 0.468 284 R N 1.519 122.012 120.500 -0.012 0.000 2.486 284 R HA 0.223 4.562 4.340 -0.001 0.000 0.304 284 R C 0.460 176.758 176.300 -0.004 0.000 0.913 284 R CA 1.062 57.157 56.100 -0.008 0.000 1.124 284 R CB -0.303 29.991 30.300 -0.011 0.000 0.891 284 R HN 0.313 nan 8.270 nan 0.000 0.410 285 G N 1.251 110.050 108.800 -0.002 0.000 2.587 285 G HA2 -0.171 3.789 3.960 -0.001 0.000 0.686 285 G HA3 -0.171 3.789 3.960 -0.001 0.000 0.686 285 G C -0.489 174.412 174.900 0.002 0.000 1.236 285 G CA -0.456 44.645 45.100 0.000 0.000 0.820 285 G HN 0.613 nan 8.290 nan 0.000 0.645 286 T N -0.522 114.034 114.554 0.003 0.000 2.891 286 T HA 0.669 5.018 4.350 -0.001 0.000 0.315 286 T C 0.253 174.957 174.700 0.006 0.000 1.054 286 T CA -0.209 61.894 62.100 0.005 0.000 0.958 286 T CB 0.323 69.194 68.868 0.005 0.000 1.008 286 T HN 0.682 nan 8.240 nan 0.000 0.521 287 K N 2.418 122.823 120.400 0.008 0.000 2.185 287 K HA 0.773 5.092 4.320 -0.001 0.000 0.240 287 K C 0.114 176.721 176.600 0.012 0.000 0.983 287 K CA -1.155 55.138 56.287 0.010 0.000 0.873 287 K CB 1.593 34.100 32.500 0.012 0.000 1.118 287 K HN 0.664 nan 8.250 nan 0.000 0.441 288 A N 1.600 124.427 122.820 0.012 0.000 2.425 288 A HA 0.132 4.451 4.320 -0.001 0.000 0.249 288 A C 1.092 178.686 177.584 0.017 0.000 1.084 288 A CA -0.252 51.792 52.037 0.012 0.000 0.781 288 A CB -0.201 18.806 19.000 0.011 0.000 1.019 288 A HN 0.805 nan 8.150 nan 0.000 0.490 289 L N 1.820 123.053 121.223 0.016 0.000 2.187 289 L HA -0.162 4.177 4.340 -0.001 0.000 0.213 289 L C 2.524 179.409 176.870 0.025 0.000 1.100 289 L CA 1.691 56.544 54.840 0.021 0.000 0.765 289 L CB -0.653 41.416 42.059 0.017 0.000 0.904 289 L HN 0.886 nan 8.230 nan 0.000 0.437 290 T N -1.118 113.448 114.554 0.019 0.000 2.737 290 T HA -0.181 4.169 4.350 -0.001 0.000 0.265 290 T C 0.754 175.469 174.700 0.026 0.000 1.038 290 T CA 0.246 62.357 62.100 0.018 0.000 1.144 290 T CB -0.188 68.687 68.868 0.011 0.000 0.866 290 T HN 0.324 nan 8.240 nan 0.000 0.434 291 E N 1.758 121.973 120.200 0.025 0.000 3.311 291 E HA -0.094 4.255 4.350 -0.001 0.000 0.264 291 E C -0.840 175.785 176.600 0.042 0.000 0.875 291 E CA -0.292 56.125 56.400 0.028 0.000 0.969 291 E CB 0.269 29.984 29.700 0.024 0.000 0.910 291 E HN 0.056 nan 8.360 nan 0.000 0.548 292 V N 6.848 126.787 119.914 0.043 0.000 2.546 292 V HA 0.302 4.421 4.120 -0.001 0.000 0.284 292 V C 0.482 176.615 176.094 0.064 0.000 1.050 292 V CA -0.106 62.232 62.300 0.062 0.000 0.981 292 V CB 0.781 32.636 31.823 0.052 0.000 0.990 292 V HN 0.570 nan 8.190 nan 0.000 0.474 293 I N 3.329 123.954 120.570 0.091 0.000 2.569 293 I HA 0.660 4.829 4.170 -0.001 0.000 0.290 293 I C -2.730 173.431 176.117 0.073 0.000 1.088 293 I CA -2.340 58.998 61.300 0.063 0.000 1.047 293 I CB 2.730 40.752 38.000 0.037 0.000 1.237 293 I HN 0.419 nan 8.210 nan 0.000 0.421 294 P HA 0.247 nan 4.420 nan 0.000 0.276 294 P C -0.529 176.756 177.300 -0.025 0.000 1.243 294 P CA -0.163 62.958 63.100 0.036 0.000 0.768 294 P CB 1.162 32.877 31.700 0.025 0.000 0.856 295 L N 3.162 124.348 121.223 -0.062 0.000 2.499 295 L HA 0.077 4.416 4.340 -0.001 0.000 0.273 295 L C 1.823 178.634 176.870 -0.100 0.000 1.195 295 L CA -0.123 54.613 54.840 -0.173 0.000 0.882 295 L CB -0.213 41.688 42.059 -0.262 0.000 1.133 295 L HN 0.498 nan 8.230 nan 0.000 0.483 296 T N -1.200 113.290 114.554 -0.106 0.000 2.667 296 T HA -0.022 4.327 4.350 -0.001 0.000 0.305 296 T C 0.905 175.567 174.700 -0.063 0.000 1.022 296 T CA -0.356 61.702 62.100 -0.070 0.000 0.995 296 T CB 1.026 69.854 68.868 -0.068 0.000 1.026 296 T HN 0.650 nan 8.240 nan 0.000 0.527 297 E N 0.325 120.498 120.200 -0.044 0.000 2.112 297 E HA -0.057 4.292 4.350 -0.001 0.000 0.190 297 E C 1.844 178.420 176.600 -0.042 0.000 0.979 297 E CA 1.102 57.480 56.400 -0.035 0.000 0.814 297 E CB -0.280 29.406 29.700 -0.024 0.000 0.762 297 E HN 0.813 nan 8.360 nan 0.000 0.460 298 E N 0.041 120.213 120.200 -0.047 0.000 2.358 298 E HA 0.114 4.463 4.350 -0.001 0.000 0.195 298 E C 1.664 178.224 176.600 -0.066 0.000 1.010 298 E CA 0.739 57.110 56.400 -0.048 0.000 0.856 298 E CB -0.349 29.325 29.700 -0.043 0.000 0.795 298 E HN 0.306 nan 8.360 nan 0.000 0.504 299 A N 1.833 124.601 122.820 -0.087 0.000 1.828 299 A HA -0.215 4.104 4.320 -0.001 0.000 0.215 299 A C 2.108 179.621 177.584 -0.119 0.000 1.203 299 A CA 1.420 53.380 52.037 -0.127 0.000 0.614 299 A CB -0.492 18.399 19.000 -0.180 0.000 0.844 299 A HN 0.081 nan 8.150 nan 0.000 0.445 300 E N -0.526 119.613 120.200 -0.102 0.000 2.130 300 E HA -0.192 4.157 4.350 -0.001 0.000 0.196 300 E C 1.822 178.392 176.600 -0.050 0.000 0.998 300 E CA 1.071 57.429 56.400 -0.069 0.000 0.806 300 E CB -0.436 29.242 29.700 -0.037 0.000 0.738 300 E HN 0.447 nan 8.360 nan 0.000 0.459 301 L N 1.001 122.196 121.223 -0.047 0.000 2.450 301 L HA -0.140 4.199 4.340 -0.001 0.000 0.224 301 L C 1.877 178.723 176.870 -0.040 0.000 1.149 301 L CA 1.589 56.407 54.840 -0.036 0.000 0.816 301 L CB -0.089 41.951 42.059 -0.032 0.000 0.932 301 L HN 0.086 nan 8.230 nan 0.000 0.449 302 E N -2.043 118.124 120.200 -0.056 0.000 2.288 302 E HA -0.054 4.295 4.350 -0.001 0.000 0.200 302 E C 1.887 178.448 176.600 -0.066 0.000 0.880 302 E CA 0.300 56.664 56.400 -0.059 0.000 0.971 302 E CB -0.029 29.630 29.700 -0.070 0.000 0.954 302 E HN 0.300 nan 8.360 nan 0.000 0.489 303 L N 1.787 122.960 121.223 -0.084 0.000 1.961 303 L HA -0.012 4.327 4.340 -0.001 0.000 0.210 303 L C 2.317 179.161 176.870 -0.044 0.000 1.072 303 L CA 2.638 57.429 54.840 -0.081 0.000 0.749 303 L CB -1.014 40.973 42.059 -0.120 0.000 0.889 303 L HN 0.144 nan 8.230 nan 0.000 0.432 304 A N -0.910 121.892 122.820 -0.030 0.000 1.986 304 A HA -0.290 4.029 4.320 -0.001 0.000 0.220 304 A C 2.331 179.903 177.584 -0.021 0.000 1.171 304 A CA 1.913 53.943 52.037 -0.012 0.000 0.640 304 A CB -0.849 18.148 19.000 -0.005 0.000 0.811 304 A HN 0.717 nan 8.150 nan 0.000 0.451 305 E N -0.260 119.922 120.200 -0.030 0.000 2.208 305 E HA -0.178 4.171 4.350 -0.001 0.000 0.193 305 E C 1.518 178.094 176.600 -0.039 0.000 0.988 305 E CA 0.979 57.361 56.400 -0.028 0.000 0.828 305 E CB -0.105 29.578 29.700 -0.028 0.000 0.763 305 E HN 0.603 nan 8.360 nan 0.000 0.478 306 N N 0.903 119.571 118.700 -0.054 0.000 2.135 306 N HA -0.093 4.646 4.740 -0.001 0.000 0.186 306 N C 1.765 177.218 175.510 -0.096 0.000 1.027 306 N CA 0.814 53.815 53.050 -0.081 0.000 0.849 306 N CB -0.317 38.117 38.487 -0.087 0.000 1.002 306 N HN 0.164 nan 8.380 nan 0.000 0.425 307 R N 0.847 121.308 120.500 -0.065 0.000 2.170 307 R HA -0.154 4.185 4.340 -0.001 0.000 0.242 307 R C 1.811 178.078 176.300 -0.056 0.000 1.145 307 R CA 1.049 57.114 56.100 -0.058 0.000 0.984 307 R CB -0.101 30.187 30.300 -0.021 0.000 0.869 307 R HN 0.284 nan 8.270 nan 0.000 0.455 308 E N 0.921 121.096 120.200 -0.042 0.000 2.015 308 E HA -0.106 4.243 4.350 -0.001 0.000 0.191 308 E C 1.846 178.431 176.600 -0.025 0.000 0.991 308 E CA 1.148 57.533 56.400 -0.024 0.000 0.802 308 E CB -0.112 29.580 29.700 -0.012 0.000 0.759 308 E HN 0.221 nan 8.360 nan 0.000 0.447 309 I N 0.497 121.044 120.570 -0.038 0.000 2.208 309 I HA -0.253 3.916 4.170 -0.001 0.000 0.245 309 I C 1.737 177.810 176.117 -0.073 0.000 1.097 309 I CA 0.888 62.182 61.300 -0.010 0.000 1.363 309 I CB -0.301 37.695 38.000 -0.006 0.000 1.051 309 I HN 0.130 nan 8.210 nan 0.000 0.413 310 L N 0.729 121.794 121.223 -0.263 0.000 2.737 310 L HA -0.070 4.269 4.340 -0.001 0.000 0.246 310 L C 1.957 178.747 176.870 -0.134 0.000 1.153 310 L CA 0.605 55.188 54.840 -0.428 0.000 0.920 310 L CB -0.533 41.264 42.059 -0.436 0.000 1.090 310 L HN 0.256 nan 8.230 nan 0.000 0.430 311 K N 0.078 120.461 120.400 -0.028 0.000 2.240 311 K HA 0.032 4.351 4.320 -0.001 0.000 0.202 311 K C 0.814 177.449 176.600 0.058 0.000 1.053 311 K CA 0.066 56.362 56.287 0.016 0.000 0.973 311 K CB 0.412 32.917 32.500 0.009 0.000 0.924 311 K HN 0.118 nan 8.250 nan 0.000 0.477 312 E N 3.846 124.093 120.200 0.078 0.000 1.996 312 E HA 0.093 4.442 4.350 -0.001 0.000 0.280 312 E C -2.300 174.353 176.600 0.087 0.000 1.092 312 E CA -2.324 54.116 56.400 0.066 0.000 0.862 312 E CB 0.488 30.221 29.700 0.054 0.000 1.066 312 E HN -0.030 nan 8.360 nan 0.000 0.396 313 P HA -0.149 nan 4.420 nan 0.000 0.263 313 P C 0.133 177.336 177.300 -0.162 0.000 1.162 313 P CA 0.106 63.205 63.100 -0.003 0.000 0.758 313 P CB 0.431 32.109 31.700 -0.037 0.000 0.773 314 V N 3.630 123.385 119.914 -0.264 0.000 3.524 314 V HA -0.033 4.086 4.120 -0.001 0.000 0.303 314 V C 1.002 176.966 176.094 -0.216 0.000 1.130 314 V CA 0.650 62.759 62.300 -0.319 0.000 1.225 314 V CB -0.647 30.883 31.823 -0.489 0.000 1.056 314 V HN 0.687 nan 8.190 nan 0.000 0.495 315 H N -1.122 117.908 119.070 -0.066 0.000 2.941 315 H HA 0.597 5.152 4.556 -0.001 0.000 0.344 315 H C 0.619 175.972 175.328 0.043 0.000 1.235 315 H CA -0.312 55.735 56.048 -0.002 0.000 1.149 315 H CB 1.908 31.683 29.762 0.023 0.000 1.885 315 H HN 0.987 nan 8.280 nan 0.000 0.558 316 G N 0.443 109.437 108.800 0.323 0.000 2.203 316 G HA2 -0.186 3.774 3.960 -0.001 0.000 0.231 316 G HA3 -0.186 3.774 3.960 -0.001 0.000 0.231 316 G C -0.936 174.136 174.900 0.286 0.000 1.058 316 G CA 0.233 45.500 45.100 0.278 0.000 0.781 316 G HN 0.445 nan 8.290 nan 0.000 0.496 317 V N 0.272 120.388 119.914 0.336 0.000 2.398 317 V HA 0.603 4.722 4.120 -0.001 0.000 0.282 317 V C -0.699 175.525 176.094 0.215 0.000 1.014 317 V CA -1.221 61.229 62.300 0.249 0.000 0.838 317 V CB 0.834 32.737 31.823 0.133 0.000 1.018 317 V HN 0.271 nan 8.190 nan 0.000 0.432 318 Y N 2.562 122.923 120.300 0.102 0.000 2.429 318 Y HA 0.542 5.091 4.550 -0.001 0.000 0.342 318 Y C -0.183 175.786 175.900 0.115 0.000 1.004 318 Y CA -1.550 56.624 58.100 0.123 0.000 1.075 318 Y CB 1.658 40.163 38.460 0.075 0.000 1.214 318 Y HN 0.676 nan 8.280 nan 0.000 0.455 319 Y N 3.388 123.783 120.300 0.159 0.000 2.496 319 Y HA 0.205 4.754 4.550 -0.001 0.000 0.334 319 Y C -0.321 175.613 175.900 0.057 0.000 1.080 319 Y CA -0.613 57.514 58.100 0.045 0.000 1.355 319 Y CB 0.243 38.755 38.460 0.087 0.000 1.193 319 Y HN 0.550 nan 8.280 nan 0.000 0.523 320 D N 9.177 129.187 120.400 -0.650 0.000 2.329 320 D HA 0.241 4.880 4.640 -0.001 0.000 0.232 320 D C -2.043 173.697 176.300 -0.933 0.000 1.088 320 D CA -2.642 51.005 54.000 -0.588 0.000 0.835 320 D CB 1.869 42.503 40.800 -0.278 0.000 1.078 320 D HN 0.397 nan 8.370 nan 0.000 0.495 321 P HA -0.079 nan 4.420 nan 0.000 0.237 321 P C 0.816 178.003 177.300 -0.187 0.000 1.178 321 P CA 0.465 63.303 63.100 -0.437 0.000 0.766 321 P CB 0.260 31.885 31.700 -0.126 0.000 0.876 322 S N -1.643 113.948 115.700 -0.182 0.000 2.478 322 S HA 0.093 4.562 4.470 -0.001 0.000 0.222 322 S C 0.968 175.508 174.600 -0.101 0.000 1.008 322 S CA -0.030 58.110 58.200 -0.100 0.000 0.928 322 S CB -0.361 62.790 63.200 -0.081 0.000 0.781 322 S HN 0.103 nan 8.310 nan 0.000 0.518 323 K N 2.254 122.566 120.400 -0.147 0.000 2.098 323 K HA 0.364 4.683 4.320 -0.001 0.000 0.258 323 K C -1.125 175.403 176.600 -0.121 0.000 0.973 323 K CA -0.781 55.433 56.287 -0.123 0.000 0.898 323 K CB 0.659 33.083 32.500 -0.127 0.000 1.057 323 K HN 0.330 nan 8.250 nan 0.000 0.447 324 D N 1.503 121.837 120.400 -0.109 0.000 2.294 324 D HA 0.252 4.891 4.640 -0.001 0.000 0.250 324 D C -0.074 176.112 176.300 -0.189 0.000 1.058 324 D CA -0.589 53.337 54.000 -0.123 0.000 0.950 324 D CB 0.683 41.413 40.800 -0.116 0.000 1.158 324 D HN 0.205 nan 8.370 nan 0.000 0.453 325 L N 0.080 121.159 121.223 -0.241 0.000 2.371 325 L HA 0.406 4.745 4.340 -0.001 0.000 0.272 325 L C 0.144 176.745 176.870 -0.448 0.000 1.124 325 L CA -0.529 54.084 54.840 -0.378 0.000 0.816 325 L CB 0.493 42.276 42.059 -0.460 0.000 1.129 325 L HN 0.224 nan 8.230 nan 0.000 0.448 326 I N 2.114 122.322 120.570 -0.604 0.000 2.465 326 I HA 0.590 4.759 4.170 -0.001 0.000 0.291 326 I C -0.322 175.357 176.117 -0.729 0.000 1.014 326 I CA -0.446 60.437 61.300 -0.694 0.000 1.093 326 I CB 1.993 39.462 38.000 -0.885 0.000 1.267 326 I HN 0.633 nan 8.210 nan 0.000 0.431 327 A N 5.706 128.167 122.820 -0.598 0.000 2.304 327 A HA 0.668 4.987 4.320 -0.001 0.000 0.314 327 A C -0.678 176.815 177.584 -0.152 0.000 1.187 327 A CA -0.500 51.288 52.037 -0.415 0.000 0.810 327 A CB 0.732 19.308 19.000 -0.707 0.000 1.183 327 A HN 0.732 nan 8.150 nan 0.000 0.487 328 E N 1.717 121.936 120.200 0.033 0.000 2.179 328 E HA 0.610 4.959 4.350 -0.001 0.000 0.275 328 E C -1.088 175.611 176.600 0.164 0.000 0.945 328 E CA -0.387 56.090 56.400 0.128 0.000 0.792 328 E CB 2.082 31.910 29.700 0.214 0.000 1.125 328 E HN 0.642 nan 8.360 nan 0.000 0.397 329 I N 2.883 123.567 120.570 0.189 0.000 2.569 329 I HA 0.216 4.385 4.170 -0.001 0.000 0.296 329 I C -0.573 175.703 176.117 0.266 0.000 1.028 329 I CA -0.961 60.492 61.300 0.255 0.000 1.082 329 I CB 1.693 39.844 38.000 0.251 0.000 1.264 329 I HN 0.353 nan 8.210 nan 0.000 0.429 330 Q N 5.305 125.276 119.800 0.285 0.000 2.356 330 Q HA 0.387 4.726 4.340 -0.001 0.000 0.270 330 Q C -1.077 175.022 176.000 0.165 0.000 1.058 330 Q CA -1.044 54.892 55.803 0.221 0.000 0.802 330 Q CB 2.534 31.364 28.738 0.153 0.000 1.303 330 Q HN 0.543 nan 8.270 nan 0.000 0.444 331 K N 1.647 122.036 120.400 -0.020 0.000 2.383 331 K HA -0.013 4.306 4.320 -0.001 0.000 0.286 331 K C 0.151 176.521 176.600 -0.384 0.000 1.051 331 K CA 0.277 56.218 56.287 -0.577 0.000 0.974 331 K CB 0.622 32.828 32.500 -0.490 0.000 0.968 331 K HN 0.569 nan 8.250 nan 0.000 0.475 332 Q N 2.786 122.295 119.800 -0.486 0.000 2.281 332 Q HA 0.215 4.554 4.340 -0.001 0.000 0.215 332 Q C -0.307 175.542 176.000 -0.251 0.000 0.867 332 Q CA 0.723 56.382 55.803 -0.239 0.000 0.940 332 Q CB 0.931 29.608 28.738 -0.102 0.000 1.111 332 Q HN 0.992 nan 8.270 nan 0.000 0.513 333 G N 0.612 109.191 108.800 -0.367 0.000 2.716 333 G HA2 -0.185 3.775 3.960 -0.001 0.000 0.686 333 G HA3 -0.185 3.775 3.960 -0.001 0.000 0.686 333 G C -0.691 174.102 174.900 -0.177 0.000 1.337 333 G CA -0.243 44.711 45.100 -0.243 0.000 0.829 333 G HN 0.196 nan 8.290 nan 0.000 0.599 334 Q N -1.555 118.173 119.800 -0.119 0.000 2.504 334 Q HA -0.197 4.142 4.340 -0.001 0.000 0.274 334 Q C 1.730 177.702 176.000 -0.048 0.000 1.103 334 Q CA 2.490 58.252 55.803 -0.070 0.000 0.962 334 Q CB -1.930 26.771 28.738 -0.061 0.000 1.322 334 Q HN 3.024 nan 8.270 nan 0.000 0.500 335 G N -0.262 108.514 108.800 -0.040 0.000 2.166 335 G HA2 -0.348 3.611 3.960 -0.001 0.000 0.260 335 G HA3 -0.348 3.611 3.960 -0.001 0.000 0.260 335 G C 0.102 175.069 174.900 0.112 0.000 0.986 335 G CA 0.981 46.133 45.100 0.087 0.000 0.683 335 G HN 0.402 nan 8.290 nan 0.000 0.527 336 Q N -1.487 118.263 119.800 -0.083 0.000 2.226 336 Q HA 0.645 4.984 4.340 -0.001 0.000 0.256 336 Q C -0.834 175.064 176.000 -0.169 0.000 0.962 336 Q CA -0.559 55.244 55.803 0.001 0.000 0.887 336 Q CB 1.153 29.884 28.738 -0.012 0.000 1.282 336 Q HN 0.359 nan 8.270 nan 0.000 0.449 337 W N 0.422 121.815 121.300 0.155 0.000 3.259 337 W HA 0.303 4.963 4.660 -0.001 0.000 0.331 337 W C -0.554 176.087 176.519 0.203 0.000 1.144 337 W CA -0.535 56.930 57.345 0.201 0.000 1.227 337 W CB 1.578 31.211 29.460 0.289 0.000 1.371 337 W HN 0.511 nan 8.180 nan 0.000 0.491 338 T N -0.280 114.480 114.554 0.343 0.000 2.952 338 T HA 0.878 5.227 4.350 -0.001 0.000 0.286 338 T C -1.087 173.734 174.700 0.203 0.000 1.024 338 T CA -0.708 61.494 62.100 0.170 0.000 1.029 338 T CB 2.016 70.904 68.868 0.033 0.000 1.094 338 T HN 0.550 nan 8.240 nan 0.000 0.515 339 Y N -1.284 118.974 120.300 -0.069 0.000 2.592 339 Y HA 0.720 5.269 4.550 -0.001 0.000 0.334 339 Y C -1.898 173.882 175.900 -0.199 0.000 1.136 339 Y CA -1.428 56.614 58.100 -0.098 0.000 1.042 339 Y CB 1.319 39.794 38.460 0.024 0.000 1.325 339 Y HN 0.613 nan 8.280 nan 0.000 0.457 340 Q N 2.923 122.743 119.800 0.034 0.000 2.305 340 Q HA 0.657 4.996 4.340 -0.001 0.000 0.271 340 Q C -1.432 174.673 176.000 0.176 0.000 1.046 340 Q CA -0.563 55.250 55.803 0.017 0.000 0.798 340 Q CB 3.125 31.815 28.738 -0.080 0.000 1.286 340 Q HN 0.740 nan 8.270 nan 0.000 0.435 341 I N 3.643 124.307 120.570 0.156 0.000 2.377 341 I HA 0.622 4.791 4.170 -0.001 0.000 0.293 341 I C -0.794 175.335 176.117 0.020 0.000 0.987 341 I CA -1.007 60.278 61.300 -0.024 0.000 1.185 341 I CB 0.570 38.562 38.000 -0.012 0.000 1.341 341 I HN 0.689 nan 8.210 nan 0.000 0.455 342 Y N 3.239 123.461 120.300 -0.130 0.000 2.853 342 Y HA 0.463 5.012 4.550 -0.001 0.000 0.326 342 Y C -0.423 175.400 175.900 -0.128 0.000 1.384 342 Y CA -0.881 57.162 58.100 -0.095 0.000 1.077 342 Y CB 1.088 39.552 38.460 0.007 0.000 1.395 342 Y HN 0.445 nan 8.280 nan 0.000 0.451 343 Q N -0.694 119.219 119.800 0.188 0.000 2.279 343 Q HA 0.286 4.625 4.340 -0.001 0.000 0.261 343 Q C -0.898 175.222 176.000 0.201 0.000 0.796 343 Q CA 0.045 55.879 55.803 0.050 0.000 0.971 343 Q CB 1.586 30.301 28.738 -0.039 0.000 1.179 343 Q HN 0.565 nan 8.270 nan 0.000 0.505 344 E N 1.736 122.109 120.200 0.289 0.000 2.275 344 E HA 0.298 4.647 4.350 -0.001 0.000 0.270 344 E C -2.688 173.911 176.600 -0.000 0.000 0.882 344 E CA -2.220 54.257 56.400 0.127 0.000 0.758 344 E CB 2.046 31.771 29.700 0.042 0.000 1.195 344 E HN -0.051 nan 8.360 nan 0.000 0.419 345 P HA -0.034 nan 4.420 nan 0.000 0.261 345 P C 0.065 177.210 177.300 -0.259 0.000 1.173 345 P CA 0.585 63.397 63.100 -0.481 0.000 0.760 345 P CB 0.028 31.371 31.700 -0.595 0.000 0.783 346 F N -0.636 119.174 119.950 -0.233 0.000 2.965 346 F HA -0.178 4.348 4.527 -0.001 0.000 0.287 346 F C 0.540 176.286 175.800 -0.091 0.000 0.790 346 F CA 0.211 58.137 58.000 -0.123 0.000 1.279 346 F CB -1.226 37.708 39.000 -0.110 0.000 1.409 346 F HN 0.357 nan 8.300 nan 0.000 0.446 347 K N 1.295 121.762 120.400 0.111 0.000 2.920 347 K HA 0.258 4.577 4.320 -0.001 0.000 0.175 347 K C -0.514 176.171 176.600 0.141 0.000 1.099 347 K CA -0.273 56.073 56.287 0.098 0.000 0.939 347 K CB 0.523 33.077 32.500 0.091 0.000 1.148 347 K HN -0.003 nan 8.250 nan 0.000 0.613 348 N N 2.270 121.058 118.700 0.146 0.000 2.470 348 N HA 0.128 4.867 4.740 -0.001 0.000 0.268 348 N C 1.306 176.909 175.510 0.155 0.000 1.136 348 N CA -0.059 53.107 53.050 0.193 0.000 0.961 348 N CB 1.267 39.879 38.487 0.208 0.000 1.067 348 N HN 0.263 nan 8.380 nan 0.000 0.468 349 L N 1.046 122.365 121.223 0.161 0.000 2.240 349 L HA 0.072 4.411 4.340 -0.001 0.000 0.211 349 L C 1.046 178.081 176.870 0.276 0.000 1.106 349 L CA 0.923 55.883 54.840 0.200 0.000 0.793 349 L CB 0.004 42.130 42.059 0.111 0.000 0.927 349 L HN 0.511 nan 8.230 nan 0.000 0.446 350 K N -0.744 119.799 120.400 0.238 0.000 2.579 350 K HA 0.374 4.693 4.320 -0.001 0.000 0.284 350 K C -1.289 175.365 176.600 0.090 0.000 0.990 350 K CA -0.501 55.906 56.287 0.199 0.000 0.880 350 K CB 2.122 34.805 32.500 0.305 0.000 1.488 350 K HN -0.084 nan 8.250 nan 0.000 0.425 351 T N -1.244 113.295 114.554 -0.026 0.000 2.883 351 T HA 0.873 5.222 4.350 -0.001 0.000 0.301 351 T C -0.234 174.207 174.700 -0.432 0.000 1.158 351 T CA -0.356 61.606 62.100 -0.230 0.000 1.007 351 T CB 1.941 70.752 68.868 -0.095 0.000 1.186 351 T HN 0.803 nan 8.240 nan 0.000 0.499 352 G N 0.528 108.824 108.800 -0.839 0.000 2.554 352 G HA2 0.727 4.686 3.960 -0.001 0.000 0.306 352 G HA3 0.727 4.686 3.960 -0.001 0.000 0.306 352 G C -2.033 172.510 174.900 -0.595 0.000 1.320 352 G CA -0.877 43.706 45.100 -0.861 0.000 0.800 352 G HN 1.062 nan 8.290 nan 0.000 0.481 353 K N -1.868 118.436 120.400 -0.160 0.000 2.555 353 K HA 0.742 5.061 4.320 -0.001 0.000 0.279 353 K C -2.194 174.625 176.600 0.364 0.000 0.986 353 K CA -1.128 55.242 56.287 0.140 0.000 0.880 353 K CB 2.572 35.126 32.500 0.089 0.000 1.474 353 K HN 0.976 nan 8.250 nan 0.000 0.433 354 Y N 0.410 120.874 120.300 0.274 0.000 2.442 354 Y HA 0.651 5.200 4.550 -0.001 0.000 0.330 354 Y C -2.203 173.845 175.900 0.247 0.000 1.100 354 Y CA -0.222 58.010 58.100 0.220 0.000 1.034 354 Y CB 2.221 40.788 38.460 0.178 0.000 1.285 354 Y HN 1.066 nan 8.280 nan 0.000 0.440 355 A N 5.797 128.157 122.820 -0.766 0.000 2.555 355 A HA 0.866 5.185 4.320 -0.001 0.000 0.297 355 A C -1.904 175.384 177.584 -0.494 0.000 1.060 355 A CA -0.813 50.931 52.037 -0.488 0.000 0.710 355 A CB 1.839 20.769 19.000 -0.117 0.000 1.282 355 A HN 0.555 nan 8.150 nan 0.000 0.399 356 R N 2.922 123.245 120.500 -0.295 0.000 2.772 356 R HA 0.276 4.616 4.340 -0.001 0.000 0.288 356 R C 0.174 176.456 176.300 -0.029 0.000 1.365 356 R CA -0.125 55.882 56.100 -0.154 0.000 1.023 356 R CB 1.180 31.400 30.300 -0.134 0.000 1.261 356 R HN 1.047 nan 8.270 nan 0.000 0.422 357 M N 0.823 120.409 119.600 -0.022 0.000 2.653 357 M HA 0.369 4.848 4.480 -0.001 0.000 0.259 357 M C 0.154 176.449 176.300 -0.009 0.000 1.244 357 M CA 0.736 56.037 55.300 0.002 0.000 1.163 357 M CB 0.764 33.360 32.600 -0.006 0.000 1.309 357 M HN 0.135 nan 8.290 nan 0.000 0.509 358 R N 1.669 122.158 120.500 -0.020 0.000 2.701 358 R HA 0.408 4.747 4.340 -0.001 0.000 0.281 358 R C 0.329 176.609 176.300 -0.034 0.000 1.367 358 R CA -0.367 55.716 56.100 -0.028 0.000 1.510 358 R CB 1.244 31.528 30.300 -0.027 0.000 1.306 358 R HN 0.467 nan 8.270 nan 0.000 0.682 359 G N -0.320 108.460 108.800 -0.034 0.000 2.873 359 G HA2 0.312 4.272 3.960 -0.001 0.000 0.170 359 G HA3 0.312 4.272 3.960 -0.001 0.000 0.170 359 G C 0.649 175.497 174.900 -0.087 0.000 1.608 359 G CA 0.509 45.586 45.100 -0.037 0.000 1.084 359 G HN 0.315 nan 8.290 nan 0.000 0.563 360 A N -2.243 120.488 122.820 -0.148 0.000 1.970 360 A HA 0.314 4.633 4.320 -0.001 0.000 0.204 360 A C 0.826 178.177 177.584 -0.388 0.000 1.325 360 A CA 0.186 52.022 52.037 -0.336 0.000 0.767 360 A CB -0.035 18.626 19.000 -0.565 0.000 0.949 360 A HN 0.492 nan 8.150 nan 0.000 0.481 361 H N 0.816 119.879 119.070 -0.011 0.000 2.661 361 H HA 0.561 5.116 4.556 -0.001 0.000 0.290 361 H C -1.116 174.198 175.328 -0.023 0.000 1.082 361 H CA 0.259 56.299 56.048 -0.013 0.000 1.234 361 H CB 0.540 30.299 29.762 -0.006 0.000 1.387 361 H HN 0.184 nan 8.280 nan 0.000 0.476 362 T N 2.987 117.575 114.554 0.056 0.000 2.942 362 T HA 0.286 4.635 4.350 -0.001 0.000 0.327 362 T C -0.463 174.232 174.700 -0.008 0.000 1.360 362 T CA -1.113 60.988 62.100 0.002 0.000 1.055 362 T CB 2.082 70.963 68.868 0.021 0.000 1.261 362 T HN 0.787 nan 8.240 nan 0.000 0.485 363 N N -0.409 118.259 118.700 -0.052 0.000 2.853 363 N HA 0.476 5.215 4.740 -0.001 0.000 0.258 363 N C -0.106 175.417 175.510 0.023 0.000 1.444 363 N CA -0.787 52.249 53.050 -0.023 0.000 0.837 363 N CB 0.571 39.016 38.487 -0.070 0.000 1.489 363 N HN 0.230 nan 8.380 nan 0.000 0.529 364 D N -0.237 120.228 120.400 0.109 0.000 2.116 364 D HA -0.128 4.511 4.640 -0.001 0.000 0.193 364 D C 1.677 178.064 176.300 0.144 0.000 0.998 364 D CA 1.403 55.562 54.000 0.266 0.000 0.836 364 D CB -0.318 40.656 40.800 0.290 0.000 0.951 364 D HN 0.348 nan 8.370 nan 0.000 0.449 365 V N 0.738 120.683 119.914 0.052 0.000 2.295 365 V HA -0.258 3.862 4.120 -0.001 0.000 0.246 365 V C 2.402 178.387 176.094 -0.182 0.000 1.049 365 V CA 1.786 64.109 62.300 0.038 0.000 1.024 365 V CB -0.468 31.410 31.823 0.093 0.000 0.648 365 V HN 0.208 nan 8.190 nan 0.000 0.447 366 K N -0.305 119.768 120.400 -0.546 0.000 2.026 366 K HA -0.255 4.064 4.320 -0.001 0.000 0.208 366 K C 2.301 178.673 176.600 -0.380 0.000 1.048 366 K CA 1.898 57.630 56.287 -0.925 0.000 0.929 366 K CB -0.183 31.653 32.500 -1.107 0.000 0.713 366 K HN 0.485 nan 8.250 nan 0.000 0.439 367 Q N 0.328 120.000 119.800 -0.214 0.000 2.014 367 Q HA -0.211 4.128 4.340 -0.001 0.000 0.207 367 Q C 2.197 177.884 176.000 -0.522 0.000 0.993 367 Q CA 1.881 57.588 55.803 -0.160 0.000 0.850 367 Q CB -0.220 28.594 28.738 0.128 0.000 0.916 367 Q HN 0.268 nan 8.270 nan 0.000 0.417 368 L N 0.296 121.152 121.223 -0.611 0.000 2.043 368 L HA -0.220 4.119 4.340 -0.001 0.000 0.212 368 L C 2.159 178.897 176.870 -0.219 0.000 1.075 368 L CA 2.055 56.522 54.840 -0.622 0.000 0.752 368 L CB -0.822 41.092 42.059 -0.242 0.000 0.891 368 L HN 0.216 nan 8.230 nan 0.000 0.432 369 T N -0.678 113.877 114.554 0.002 0.000 2.788 369 T HA -0.174 4.175 4.350 -0.001 0.000 0.268 369 T C 1.656 176.318 174.700 -0.062 0.000 1.044 369 T CA 1.764 63.971 62.100 0.177 0.000 1.139 369 T CB -0.191 68.776 68.868 0.164 0.000 0.867 369 T HN 0.520 nan 8.240 nan 0.000 0.454 370 E N 0.970 121.019 120.200 -0.252 0.000 2.112 370 E HA 0.094 4.443 4.350 -0.001 0.000 0.190 370 E C 2.629 178.859 176.600 -0.616 0.000 0.979 370 E CA 0.694 56.891 56.400 -0.337 0.000 0.814 370 E CB -0.183 29.384 29.700 -0.220 0.000 0.762 370 E HN 0.453 nan 8.360 nan 0.000 0.460 371 A N 1.368 123.618 122.820 -0.950 0.000 1.883 371 A HA -0.166 4.153 4.320 -0.001 0.000 0.217 371 A C 2.539 179.803 177.584 -0.533 0.000 1.186 371 A CA 1.291 52.716 52.037 -1.019 0.000 0.624 371 A CB -0.830 17.623 19.000 -0.912 0.000 0.822 371 A HN 0.113 nan 8.150 nan 0.000 0.444 372 V N -0.175 119.488 119.914 -0.417 0.000 2.332 372 V HA -0.335 3.784 4.120 -0.001 0.000 0.248 372 V C 2.637 178.620 176.094 -0.184 0.000 1.055 372 V CA 2.389 64.433 62.300 -0.427 0.000 1.038 372 V CB -0.867 30.697 31.823 -0.433 0.000 0.651 372 V HN 0.665 nan 8.190 nan 0.000 0.450 373 Q N -0.602 119.107 119.800 -0.151 0.000 2.224 373 Q HA -0.182 4.157 4.340 -0.001 0.000 0.203 373 Q C 2.381 178.420 176.000 0.066 0.000 0.970 373 Q CA 1.273 57.070 55.803 -0.009 0.000 0.865 373 Q CB -0.149 28.407 28.738 -0.302 0.000 0.922 373 Q HN 0.562 nan 8.270 nan 0.000 0.445 374 K N 0.985 121.334 120.400 -0.085 0.000 2.062 374 K HA -0.111 4.208 4.320 -0.001 0.000 0.205 374 K C 1.869 178.395 176.600 -0.123 0.000 1.051 374 K CA 0.949 57.198 56.287 -0.064 0.000 0.941 374 K CB 0.012 32.427 32.500 -0.142 0.000 0.719 374 K HN 0.168 nan 8.250 nan 0.000 0.440 375 I N 0.947 121.395 120.570 -0.204 0.000 2.252 375 I HA -0.234 3.935 4.170 -0.001 0.000 0.245 375 I C 2.177 178.259 176.117 -0.057 0.000 1.102 375 I CA 1.282 62.431 61.300 -0.252 0.000 1.385 375 I CB -0.338 37.492 38.000 -0.284 0.000 1.064 375 I HN 0.197 nan 8.210 nan 0.000 0.414 376 T N -0.068 114.538 114.554 0.087 0.000 2.708 376 T HA -0.170 4.179 4.350 -0.001 0.000 0.266 376 T C 1.938 176.556 174.700 -0.137 0.000 1.037 376 T CA 2.054 64.138 62.100 -0.028 0.000 1.146 376 T CB -0.336 68.462 68.868 -0.116 0.000 0.865 376 T HN 0.346 nan 8.240 nan 0.000 0.435 377 T N 1.948 116.524 114.554 0.035 0.000 2.708 377 T HA -0.097 4.252 4.350 -0.001 0.000 0.266 377 T C 1.964 176.710 174.700 0.077 0.000 1.037 377 T CA 1.228 63.423 62.100 0.158 0.000 1.146 377 T CB -0.280 68.790 68.868 0.337 0.000 0.865 377 T HN 0.514 nan 8.240 nan 0.000 0.435 378 E N 0.648 120.791 120.200 -0.095 0.000 2.085 378 E HA -0.126 4.223 4.350 -0.001 0.000 0.194 378 E C 2.506 178.998 176.600 -0.179 0.000 0.994 378 E CA 1.140 57.340 56.400 -0.334 0.000 0.801 378 E CB -0.205 29.072 29.700 -0.706 0.000 0.743 378 E HN 0.303 nan 8.360 nan 0.000 0.453 379 S N 0.582 116.214 115.700 -0.115 0.000 2.359 379 S HA -0.160 4.309 4.470 -0.001 0.000 0.224 379 S C 2.001 176.521 174.600 -0.133 0.000 1.035 379 S CA 0.974 59.188 58.200 0.023 0.000 1.018 379 S CB -0.201 63.005 63.200 0.011 0.000 0.876 379 S HN 0.184 nan 8.310 nan 0.000 0.448 380 I N 0.894 121.308 120.570 -0.261 0.000 2.226 380 I HA -0.133 4.036 4.170 -0.001 0.000 0.245 380 I C 2.218 178.141 176.117 -0.325 0.000 1.100 380 I CA 0.942 61.981 61.300 -0.434 0.000 1.374 380 I CB -0.376 37.275 38.000 -0.582 0.000 1.057 380 I HN 0.206 nan 8.210 nan 0.000 0.413 381 V N 1.023 120.862 119.914 -0.125 0.000 2.427 381 V HA -0.238 3.881 4.120 -0.001 0.000 0.248 381 V C 2.174 178.254 176.094 -0.023 0.000 1.051 381 V CA 1.757 64.074 62.300 0.028 0.000 1.048 381 V CB -0.253 31.751 31.823 0.300 0.000 0.666 381 V HN 0.344 nan 8.190 nan 0.000 0.456 382 I N -2.073 118.315 120.570 -0.304 0.000 2.703 382 I HA -0.087 4.082 4.170 -0.001 0.000 0.259 382 I C 1.903 177.428 176.117 -0.988 0.000 1.151 382 I CA 1.141 62.029 61.300 -0.686 0.000 1.470 382 I CB -0.065 37.163 38.000 -1.287 0.000 1.112 382 I HN 0.396 nan 8.210 nan 0.000 0.437 383 W N -0.190 120.699 121.300 -0.685 0.000 2.592 383 W HA 0.363 5.022 4.660 -0.001 0.000 0.306 383 W C 1.450 177.284 176.519 -1.141 0.000 0.991 383 W CA 0.654 57.426 57.345 -0.955 0.000 1.430 383 W CB 0.155 29.046 29.460 -0.949 0.000 1.017 383 W HN 0.253 nan 8.180 nan 0.000 0.557 384 G N 2.078 110.271 108.800 -1.012 0.000 2.175 384 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.244 384 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.244 384 G C 0.145 174.936 174.900 -0.182 0.000 0.982 384 G CA 0.768 45.544 45.100 -0.541 0.000 0.641 384 G HN 0.328 nan 8.290 nan 0.000 0.527 385 K N -0.660 119.591 120.400 -0.249 0.000 2.533 385 K HA 0.746 5.066 4.320 -0.001 0.000 0.272 385 K C -0.186 176.250 176.600 -0.273 0.000 0.985 385 K CA -0.223 55.962 56.287 -0.169 0.000 0.876 385 K CB 1.241 33.736 32.500 -0.010 0.000 1.452 385 K HN 0.466 nan 8.250 nan 0.000 0.439 386 T N -0.255 114.161 114.554 -0.231 0.000 2.909 386 T HA 0.541 4.891 4.350 -0.001 0.000 0.286 386 T C -2.084 172.492 174.700 -0.207 0.000 1.002 386 T CA -1.506 60.441 62.100 -0.256 0.000 1.074 386 T CB 1.107 69.836 68.868 -0.232 0.000 0.984 386 T HN 0.535 nan 8.240 nan 0.000 0.495 387 P HA 0.379 nan 4.420 nan 0.000 0.284 387 P C -1.113 175.938 177.300 -0.415 0.000 1.292 387 P CA -0.900 61.949 63.100 -0.419 0.000 0.800 387 P CB 0.999 32.334 31.700 -0.608 0.000 1.188 388 K N 0.533 120.682 120.400 -0.418 0.000 2.240 388 K HA 0.389 4.709 4.320 -0.001 0.000 0.271 388 K C -1.087 175.302 176.600 -0.351 0.000 1.018 388 K CA -0.495 55.633 56.287 -0.265 0.000 0.874 388 K CB 0.147 32.528 32.500 -0.198 0.000 1.098 388 K HN 0.191 nan 8.250 nan 0.000 0.458 389 F N 2.904 122.777 119.950 -0.129 0.000 2.394 389 F HA 0.304 4.830 4.527 -0.001 0.000 0.340 389 F C 0.560 176.255 175.800 -0.176 0.000 1.105 389 F CA -0.462 57.454 58.000 -0.140 0.000 1.124 389 F CB 1.376 40.301 39.000 -0.125 0.000 1.145 389 F HN 0.290 nan 8.300 nan 0.000 0.505 390 K N 4.859 125.276 120.400 0.028 0.000 2.360 390 K HA 0.357 4.676 4.320 -0.001 0.000 0.235 390 K C -0.958 175.633 176.600 -0.015 0.000 1.077 390 K CA -0.254 56.018 56.287 -0.024 0.000 1.035 390 K CB 0.482 32.995 32.500 0.022 0.000 1.623 390 K HN 0.512 nan 8.250 nan 0.000 0.462 391 L N 4.592 125.724 121.223 -0.153 0.000 2.410 391 L HA 0.151 4.490 4.340 -0.001 0.000 0.273 391 L C -1.602 175.281 176.870 0.021 0.000 1.144 391 L CA -1.567 53.173 54.840 -0.167 0.000 0.863 391 L CB 0.209 41.959 42.059 -0.515 0.000 1.140 391 L HN 0.269 nan 8.230 nan 0.000 0.463 392 P HA 0.263 nan 4.420 nan 0.000 0.214 392 P C -0.495 176.921 177.300 0.193 0.000 1.826 392 P CA 0.288 63.487 63.100 0.165 0.000 0.977 392 P CB 0.602 32.425 31.700 0.204 0.000 1.930 393 I N -0.853 119.832 120.570 0.192 0.000 3.181 393 I HA 0.301 4.470 4.170 -0.001 0.000 0.311 393 I C -1.270 174.935 176.117 0.148 0.000 1.287 393 I CA -1.360 60.057 61.300 0.195 0.000 0.958 393 I CB 3.164 41.312 38.000 0.246 0.000 1.294 393 I HN -0.114 nan 8.210 nan 0.000 0.467 394 Q N 3.847 123.690 119.800 0.071 0.000 2.267 394 Q HA 0.169 4.509 4.340 -0.001 0.000 0.255 394 Q C 0.648 176.460 176.000 -0.314 0.000 0.923 394 Q CA -0.212 55.558 55.803 -0.055 0.000 0.925 394 Q CB 1.687 30.427 28.738 0.004 0.000 1.195 394 Q HN 0.644 nan 8.270 nan 0.000 0.417 395 K N 3.180 123.146 120.400 -0.723 0.000 2.032 395 K HA -0.312 4.007 4.320 -0.001 0.000 0.218 395 K C 1.069 177.363 176.600 -0.510 0.000 1.054 395 K CA 2.449 57.942 56.287 -1.324 0.000 0.941 395 K CB 0.149 32.147 32.500 -0.837 0.000 0.720 395 K HN 0.648 nan 8.250 nan 0.000 0.449 396 E N 0.009 120.081 120.200 -0.213 0.000 2.070 396 E HA -0.158 4.191 4.350 -0.001 0.000 0.197 396 E C 2.053 178.638 176.600 -0.025 0.000 1.004 396 E CA 2.118 58.484 56.400 -0.057 0.000 0.805 396 E CB -0.635 29.064 29.700 -0.002 0.000 0.744 396 E HN 0.438 nan 8.360 nan 0.000 0.451 397 T N 0.540 115.112 114.554 0.029 0.000 2.674 397 T HA -0.186 4.163 4.350 -0.001 0.000 0.265 397 T C 1.409 176.225 174.700 0.194 0.000 1.039 397 T CA 1.248 63.450 62.100 0.171 0.000 1.150 397 T CB -0.543 68.451 68.868 0.210 0.000 0.864 397 T HN 0.391 nan 8.240 nan 0.000 0.427 398 W N 2.320 123.583 121.300 -0.062 0.000 2.335 398 W HA -0.163 4.496 4.660 -0.002 0.000 0.311 398 W C 1.825 178.323 176.519 -0.034 0.000 1.213 398 W CA 1.562 58.865 57.345 -0.069 0.000 1.274 398 W CB -0.278 29.052 29.460 -0.216 0.000 1.148 398 W HN 0.434 nan 8.180 nan 0.000 0.498 399 E N -0.532 119.650 120.200 -0.031 0.000 2.153 399 E HA -0.181 4.168 4.350 -0.001 0.000 0.194 399 E C 2.055 178.507 176.600 -0.246 0.000 0.988 399 E CA 2.030 58.347 56.400 -0.139 0.000 0.811 399 E CB -0.332 29.252 29.700 -0.193 0.000 0.746 399 E HN 0.178 nan 8.360 nan 0.000 0.466 400 T N -0.303 114.077 114.554 -0.290 0.000 2.770 400 T HA -0.119 4.230 4.350 -0.001 0.000 0.263 400 T C 1.079 175.286 174.700 -0.822 0.000 1.039 400 T CA 1.199 62.925 62.100 -0.623 0.000 1.142 400 T CB -0.199 68.142 68.868 -0.878 0.000 0.868 400 T HN 0.370 nan 8.240 nan 0.000 0.435 401 W N 0.729 121.899 121.300 -0.216 0.000 3.058 401 W HA 0.279 4.938 4.660 -0.001 0.000 0.306 401 W C 2.009 178.273 176.519 -0.425 0.000 1.188 401 W CA -1.249 55.929 57.345 -0.277 0.000 1.651 401 W CB -0.286 29.120 29.460 -0.091 0.000 1.051 401 W HN 0.311 nan 8.180 nan 0.000 0.592 402 W N 1.730 122.648 121.300 -0.637 0.000 2.325 402 W HA -0.235 4.424 4.660 -0.002 0.000 0.299 402 W C 1.427 177.694 176.519 -0.420 0.000 1.215 402 W CA 2.224 59.052 57.345 -0.862 0.000 1.244 402 W CB -2.026 26.361 29.460 -1.788 0.000 1.140 402 W HN -0.007 nan 8.180 nan 0.000 0.523 403 T N -1.080 112.610 114.554 -1.440 0.000 3.163 403 T HA -0.115 4.235 4.350 -0.001 0.000 0.260 403 T C 1.335 175.700 174.700 -0.560 0.000 1.156 403 T CA 1.444 62.831 62.100 -1.189 0.000 1.072 403 T CB -0.314 67.752 68.868 -1.337 0.000 0.937 403 T HN 0.170 nan 8.240 nan 0.000 0.528 404 E N 0.869 120.745 120.200 -0.540 0.000 2.285 404 E HA 0.008 4.358 4.350 -0.001 0.000 0.194 404 E C 0.286 176.388 176.600 -0.831 0.000 0.997 404 E CA 0.718 56.710 56.400 -0.679 0.000 0.845 404 E CB -0.137 29.064 29.700 -0.833 0.000 0.782 404 E HN 0.855 nan 8.360 nan 0.000 0.491 405 Y N -2.161 118.108 120.300 -0.052 0.000 2.672 405 Y HA 0.242 4.791 4.550 -0.001 0.000 0.252 405 Y C -0.020 175.888 175.900 0.013 0.000 1.132 405 Y CA -0.991 57.092 58.100 -0.029 0.000 1.228 405 Y CB -0.148 38.294 38.460 -0.030 0.000 1.310 405 Y HN 0.008 nan 8.280 nan 0.000 0.549 406 W N 3.695 124.952 121.300 -0.072 0.000 2.266 406 W HA 0.170 4.829 4.660 -0.001 0.000 0.317 406 W C 0.100 176.568 176.519 -0.086 0.000 1.310 406 W CA 0.634 57.956 57.345 -0.038 0.000 1.207 406 W CB 1.089 30.522 29.460 -0.045 0.000 1.199 406 W HN 0.320 nan 8.180 nan 0.000 0.544 407 Q N 3.241 122.773 119.800 -0.448 0.000 2.210 407 Q HA 0.178 4.517 4.340 -0.001 0.000 0.252 407 Q C 0.653 176.382 176.000 -0.452 0.000 0.811 407 Q CA -0.189 55.422 55.803 -0.319 0.000 0.953 407 Q CB 1.164 29.754 28.738 -0.248 0.000 1.136 407 Q HN 0.418 nan 8.270 nan 0.000 0.491 408 A N 0.609 122.897 122.820 -0.886 0.000 2.346 408 A HA 0.228 4.548 4.320 -0.001 0.000 0.252 408 A C 0.879 178.218 177.584 -0.408 0.000 1.089 408 A CA 0.062 51.525 52.037 -0.957 0.000 0.797 408 A CB 0.383 18.185 19.000 -1.996 0.000 1.047 408 A HN 0.152 nan 8.150 nan 0.000 0.494 409 T N 0.466 114.747 114.554 -0.455 0.000 3.065 409 T HA 0.102 4.451 4.350 -0.001 0.000 0.252 409 T C 0.431 175.221 174.700 0.149 0.000 1.099 409 T CA 0.340 62.399 62.100 -0.069 0.000 1.063 409 T CB -0.226 68.619 68.868 -0.039 0.000 0.948 409 T HN 0.711 nan 8.240 nan 0.000 0.506 410 W N 0.705 122.228 121.300 0.372 0.000 2.578 410 W HA 0.775 5.434 4.660 -0.002 0.000 0.364 410 W C -1.170 175.650 176.519 0.502 0.000 1.144 410 W CA -1.454 56.117 57.345 0.376 0.000 1.242 410 W CB 0.691 30.366 29.460 0.359 0.000 1.382 410 W HN -0.170 nan 8.180 nan 0.000 0.625 411 I N 2.921 123.937 120.570 0.743 0.000 2.534 411 I HA 0.196 4.365 4.170 -0.001 0.000 0.286 411 I C -2.055 174.167 176.117 0.176 0.000 1.094 411 I CA -2.123 59.423 61.300 0.410 0.000 1.055 411 I CB 2.273 40.260 38.000 -0.021 0.000 1.225 411 I HN 0.013 nan 8.210 nan 0.000 0.435 412 P HA 0.256 nan 4.420 nan 0.000 0.279 412 P C -0.756 176.361 177.300 -0.306 0.000 1.282 412 P CA -0.389 62.742 63.100 0.052 0.000 0.788 412 P CB 1.010 32.910 31.700 0.335 0.000 1.139 413 E N -0.346 119.736 120.200 -0.198 0.000 2.349 413 E HA 0.309 4.658 4.350 -0.001 0.000 0.265 413 E C -0.581 175.909 176.600 -0.185 0.000 1.064 413 E CA 0.275 56.478 56.400 -0.328 0.000 0.886 413 E CB 0.504 30.102 29.700 -0.169 0.000 1.036 413 E HN 0.472 nan 8.360 nan 0.000 0.413 414 W N 0.307 121.505 121.300 -0.170 0.000 3.137 414 W HA 0.490 5.150 4.660 -0.001 0.000 0.324 414 W C -0.983 175.228 176.519 -0.513 0.000 1.253 414 W CA -1.070 56.071 57.345 -0.339 0.000 1.183 414 W CB 0.030 29.167 29.460 -0.539 0.000 1.424 414 W HN 0.494 nan 8.180 nan 0.000 0.566 415 E N 0.470 120.468 120.200 -0.337 0.000 2.429 415 E HA 0.766 5.115 4.350 -0.001 0.000 0.276 415 E C -1.865 174.226 176.600 -0.848 0.000 0.953 415 E CA -1.070 55.029 56.400 -0.503 0.000 0.787 415 E CB 2.450 32.055 29.700 -0.157 0.000 1.307 415 E HN 0.230 nan 8.360 nan 0.000 0.458 416 F N 0.735 120.694 119.950 0.014 0.000 2.458 416 F HA 0.519 5.045 4.527 -0.001 0.000 0.336 416 F C 0.121 175.935 175.800 0.024 0.000 1.114 416 F CA -0.755 57.233 58.000 -0.020 0.000 0.987 416 F CB 1.974 40.962 39.000 -0.020 0.000 1.130 416 F HN 0.467 nan 8.300 nan 0.000 0.458 417 V N 0.030 120.038 119.914 0.157 0.000 3.155 417 V HA 0.653 4.772 4.120 -0.001 0.000 0.313 417 V C -1.071 175.102 176.094 0.131 0.000 1.162 417 V CA -1.311 61.066 62.300 0.127 0.000 1.048 417 V CB 2.177 34.059 31.823 0.097 0.000 1.092 417 V HN 0.815 nan 8.190 nan 0.000 0.447 418 N N -0.633 118.135 118.700 0.113 0.000 2.626 418 N HA 0.363 5.102 4.740 -0.001 0.000 0.249 418 N C -0.492 175.077 175.510 0.099 0.000 1.021 418 N CA -0.501 52.611 53.050 0.103 0.000 0.886 418 N CB 1.448 39.988 38.487 0.089 0.000 1.149 418 N HN 0.678 nan 8.380 nan 0.000 0.517 419 T N 2.879 117.496 114.554 0.106 0.000 2.905 419 T HA 0.070 4.419 4.350 -0.001 0.000 0.299 419 T C -1.978 172.773 174.700 0.085 0.000 1.024 419 T CA -0.081 62.083 62.100 0.107 0.000 1.151 419 T CB 0.155 69.092 68.868 0.114 0.000 0.987 419 T HN 0.496 nan 8.240 nan 0.000 0.535 420 P HA 0.363 nan 4.420 nan 0.000 0.284 420 P C -2.607 174.716 177.300 0.039 0.000 1.258 420 P CA -2.357 60.779 63.100 0.060 0.000 0.824 420 P CB 0.091 31.832 31.700 0.068 0.000 1.038 421 P HA -0.002 nan 4.420 nan 0.000 0.229 421 P C 0.117 177.384 177.300 -0.055 0.000 1.597 421 P CA 0.549 63.642 63.100 -0.012 0.000 1.030 421 P CB -0.773 30.918 31.700 -0.016 0.000 1.897 422 L N -1.724 119.467 121.223 -0.054 0.000 3.016 422 L HA 0.149 4.488 4.340 -0.001 0.000 0.267 422 L C 1.427 178.250 176.870 -0.078 0.000 1.182 422 L CA -0.009 54.717 54.840 -0.191 0.000 0.997 422 L CB -0.413 41.531 42.059 -0.191 0.000 1.354 422 L HN -0.084 nan 8.230 nan 0.000 0.569 423 V N -2.131 117.812 119.914 0.049 0.000 2.490 423 V HA -0.170 3.950 4.120 -0.001 0.000 0.250 423 V C 2.436 178.630 176.094 0.167 0.000 1.061 423 V CA 1.792 64.180 62.300 0.147 0.000 1.064 423 V CB -1.131 30.741 31.823 0.081 0.000 0.670 423 V HN 0.525 nan 8.190 nan 0.000 0.461 424 K N 0.907 121.354 120.400 0.078 0.000 2.103 424 K HA 0.021 4.340 4.320 -0.001 0.000 0.207 424 K C 1.992 178.628 176.600 0.059 0.000 1.048 424 K CA 1.778 58.188 56.287 0.205 0.000 0.930 424 K CB -0.442 32.088 32.500 0.050 0.000 0.716 424 K HN 0.479 nan 8.250 nan 0.000 0.444 425 L N -1.416 119.592 121.223 -0.358 0.000 2.552 425 L HA -0.034 4.305 4.340 -0.001 0.000 0.227 425 L C 1.282 177.721 176.870 -0.719 0.000 1.146 425 L CA 0.587 54.942 54.840 -0.808 0.000 0.858 425 L CB -0.170 40.763 42.059 -1.877 0.000 0.969 425 L HN 0.305 nan 8.230 nan 0.000 0.451 426 W N -1.908 119.267 121.300 -0.208 0.000 2.873 426 W HA 0.098 4.757 4.660 -0.001 0.000 0.282 426 W C 1.183 177.672 176.519 -0.049 0.000 1.118 426 W CA -0.845 56.460 57.345 -0.067 0.000 1.480 426 W CB 0.240 29.703 29.460 0.005 0.000 0.954 426 W HN -0.021 nan 8.180 nan 0.000 0.591 427 Y N 1.784 122.184 120.300 0.166 0.000 2.379 427 Y HA 0.264 4.813 4.550 -0.001 0.000 0.354 427 Y C 0.655 176.604 175.900 0.081 0.000 1.269 427 Y CA -0.516 57.642 58.100 0.095 0.000 1.532 427 Y CB 0.062 38.539 38.460 0.029 0.000 1.371 427 Y HN 0.027 nan 8.280 nan 0.000 0.666 428 Q N 0.952 120.877 119.800 0.208 0.000 3.083 428 Q HA 0.506 4.846 4.340 -0.001 0.000 0.197 428 Q C -0.109 176.000 176.000 0.181 0.000 1.107 428 Q CA -0.764 55.089 55.803 0.082 0.000 0.675 428 Q CB 0.157 28.951 28.738 0.093 0.000 3.807 428 Q HN 0.731 nan 8.270 nan 0.000 0.357 429 L N 0.000 121.287 121.223 0.107 0.000 2.949 429 L HA 0.000 4.339 4.340 -0.001 0.000 0.249 429 L CA 0.000 54.896 54.840 0.093 0.000 0.813 429 L CB 0.000 42.095 42.059 0.061 0.000 0.961 429 L HN 0.000 nan 8.230 nan 0.000 0.502