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 1tkz_1_A DATA FIRST_RESID 4 DATA SEQUENCE PIETVPVKLK PGMDGPKVKQ WPLTEEKIKA LVEICTEMEK EGKISKIGPE DATA SEQUENCE NPYNTPVFAI XXXXXXKWRK LVDFRELNKR TQDFWEVQLG IPHPAGLKKK DATA SEQUENCE KSVTVLDVGD AYFSVPLDED FRKYTAFTIP SINNETPGIR YQYNVLPQGW DATA SEQUENCE KGSPAIFQSS MTKILEPFRK QNPDIVIYQY MDDLYVGSDL EIGQHRTKIE DATA SEQUENCE ELRQHLLRWG LTTPDKKHQK EPPFLWMGYE LHPDKWTVQP IVLPEKDSWT DATA SEQUENCE VNDIQKLVGK LNWASQIYPG IKVRQLXKLL RGTKALTEVI PLTEEAELEL DATA SEQUENCE AENREILKEP VHGVYYDPSK DLIAEIQKQG QGQWTYQIYQ EPFKNLKTGK DATA SEQUENCE YARMRGAHTN DVKQLTEAVQ KITTESIVIW GKTPKFKLPI QKETWETWWT DATA SEQUENCE EYWQATWIPE WEFVNTPPLV KLWYQLEKEP IVGAETFYVD XXXXXXXXXX DATA SEQUENCE XAGYVTNRGR QKVVTLTDTT NQKTELQAIY LALQDSGLEV NIVTDSQYAL DATA SEQUENCE GIIQAQPDQS ESELVNQIIE QLIKKEKVYL AWVP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 P HA 0.000 nan 4.420 nan 0.000 0.216 4 P C 0.000 177.590 177.300 0.483 0.000 1.155 4 P CA 0.000 63.302 63.100 0.337 0.000 0.800 4 P CB 0.000 31.814 31.700 0.190 0.000 0.726 5 I N 0.588 121.359 120.570 0.335 0.000 2.577 5 I HA 0.392 4.571 4.170 0.016 0.000 0.300 5 I C 0.498 176.690 176.117 0.125 0.000 0.990 5 I CA -0.305 61.105 61.300 0.182 0.000 1.283 5 I CB 1.250 39.243 38.000 -0.013 0.000 1.411 5 I HN 0.485 nan 8.210 nan 0.000 0.515 6 E N 3.795 124.050 120.200 0.092 0.000 2.465 6 E HA 0.026 4.385 4.350 0.016 0.000 0.260 6 E C -0.710 175.922 176.600 0.053 0.000 0.980 6 E CA 0.375 56.817 56.400 0.071 0.000 0.927 6 E CB 0.340 30.072 29.700 0.054 0.000 0.934 6 E HN 0.661 nan 8.360 nan 0.000 0.459 7 T N 3.984 118.572 114.554 0.058 0.000 2.901 7 T HA 0.211 4.570 4.350 0.016 0.000 0.301 7 T C -0.624 174.105 174.700 0.047 0.000 1.012 7 T CA -0.503 61.629 62.100 0.055 0.000 1.135 7 T CB 0.565 69.470 68.868 0.062 0.000 0.936 7 T HN 0.300 nan 8.240 nan 0.000 0.539 8 V N 8.092 128.034 119.914 0.047 0.000 2.364 8 V HA 0.274 4.403 4.120 0.016 0.000 0.272 8 V C -1.766 174.368 176.094 0.067 0.000 1.036 8 V CA -1.906 60.424 62.300 0.050 0.000 0.880 8 V CB 0.963 32.815 31.823 0.048 0.000 0.991 8 V HN 0.749 nan 8.190 nan 0.000 0.460 9 P HA 0.152 nan 4.420 nan 0.000 0.266 9 P C -0.617 176.716 177.300 0.054 0.000 1.215 9 P CA 0.278 63.416 63.100 0.064 0.000 0.763 9 P CB 1.088 32.819 31.700 0.052 0.000 0.806 10 V N 4.649 124.586 119.914 0.039 0.000 2.881 10 V HA 0.552 4.681 4.120 0.016 0.000 0.316 10 V C 0.386 176.499 176.094 0.031 0.000 1.070 10 V CA -0.569 61.688 62.300 -0.072 0.000 0.976 10 V CB 1.905 33.476 31.823 -0.420 0.000 1.038 10 V HN 0.482 nan 8.190 nan 0.000 0.446 11 K N 1.528 121.927 120.400 -0.000 0.000 2.536 11 K HA 0.674 5.003 4.320 0.016 0.000 0.269 11 K C -1.435 175.243 176.600 0.129 0.000 0.965 11 K CA -0.763 55.609 56.287 0.142 0.000 0.860 11 K CB 2.297 34.827 32.500 0.051 0.000 1.423 11 K HN 0.428 nan 8.250 nan 0.000 0.438 12 L N 1.373 122.656 121.223 0.101 0.000 2.468 12 L HA 0.352 4.701 4.340 0.016 0.000 0.254 12 L C 0.317 177.169 176.870 -0.029 0.000 1.171 12 L CA -0.632 54.208 54.840 0.000 0.000 0.809 12 L CB 0.337 42.273 42.059 -0.205 0.000 1.155 12 L HN 0.371 nan 8.230 nan 0.000 0.473 13 K N 1.596 121.973 120.400 -0.038 0.000 2.355 13 K HA 0.129 4.458 4.320 0.016 0.000 0.270 13 K C -2.183 174.400 176.600 -0.028 0.000 1.003 13 K CA -1.368 54.894 56.287 -0.042 0.000 0.957 13 K CB 0.060 32.540 32.500 -0.033 0.000 0.939 13 K HN 0.343 nan 8.250 nan 0.000 0.482 14 P HA -0.115 nan 4.420 nan 0.000 0.262 14 P C 0.443 177.741 177.300 -0.003 0.000 1.182 14 P CA 0.692 63.785 63.100 -0.011 0.000 0.761 14 P CB 0.457 32.149 31.700 -0.013 0.000 0.795 15 G N 2.171 110.975 108.800 0.006 0.000 2.168 15 G HA2 -0.258 3.712 3.960 0.016 0.000 0.263 15 G HA3 -0.258 3.712 3.960 0.016 0.000 0.263 15 G C 0.110 175.020 174.900 0.016 0.000 0.977 15 G CA 0.227 45.335 45.100 0.014 0.000 0.659 15 G HN 0.508 nan 8.290 nan 0.000 0.533 16 M N -0.495 119.109 119.600 0.006 0.000 2.705 16 M HA 0.624 5.114 4.480 0.016 0.000 0.311 16 M C -0.459 175.842 176.300 0.002 0.000 1.214 16 M CA -0.811 54.492 55.300 0.005 0.000 0.920 16 M CB 1.716 34.310 32.600 -0.009 0.000 1.687 16 M HN 0.103 nan 8.290 nan 0.000 0.481 17 D N -0.262 120.154 120.400 0.028 0.000 2.423 17 D HA 0.547 5.197 4.640 0.016 0.000 0.235 17 D C -0.221 176.095 176.300 0.026 0.000 1.011 17 D CA -0.063 53.988 54.000 0.085 0.000 0.963 17 D CB 1.712 42.631 40.800 0.198 0.000 1.349 17 D HN 0.685 nan 8.370 nan 0.000 0.508 18 G N 0.978 109.770 108.800 -0.013 0.000 2.647 18 G HA2 0.214 4.183 3.960 0.016 0.000 0.234 18 G HA3 0.214 4.183 3.960 0.016 0.000 0.234 18 G C -2.104 172.889 174.900 0.154 0.000 1.252 18 G CA -0.783 44.126 45.100 -0.317 0.000 0.846 18 G HN 0.463 nan 8.290 nan 0.000 0.589 19 P HA 0.200 nan 4.420 nan 0.000 0.271 19 P C -0.628 176.845 177.300 0.288 0.000 1.233 19 P CA -0.083 63.131 63.100 0.190 0.000 0.764 19 P CB 1.162 32.959 31.700 0.162 0.000 0.825 20 K N 2.989 123.519 120.400 0.218 0.000 3.082 20 K HA 0.291 4.620 4.320 0.016 0.000 0.203 20 K C -0.687 175.968 176.600 0.092 0.000 1.177 20 K CA -0.413 55.970 56.287 0.160 0.000 1.041 20 K CB 0.119 32.689 32.500 0.117 0.000 1.312 20 K HN 0.200 nan 8.250 nan 0.000 0.526 21 V N 1.970 121.934 119.914 0.083 0.000 2.465 21 V HA 0.196 4.326 4.120 0.016 0.000 0.279 21 V C 0.286 176.378 176.094 -0.004 0.000 1.045 21 V CA -0.812 61.514 62.300 0.043 0.000 0.938 21 V CB 1.367 33.213 31.823 0.039 0.000 0.986 21 V HN 0.343 nan 8.190 nan 0.000 0.467 22 K N 3.620 124.020 120.400 0.000 0.000 2.382 22 K HA 0.102 4.431 4.320 0.016 0.000 0.275 22 K C -0.120 176.408 176.600 -0.120 0.000 1.009 22 K CA -0.338 55.936 56.287 -0.021 0.000 0.970 22 K CB 0.715 33.233 32.500 0.030 0.000 0.934 22 K HN 0.695 nan 8.250 nan 0.000 0.479 23 Q N 5.190 124.908 119.800 -0.137 0.000 2.294 23 Q HA 0.107 4.457 4.340 0.016 0.000 0.257 23 Q C -0.866 175.072 176.000 -0.104 0.000 0.955 23 Q CA -0.382 55.262 55.803 -0.265 0.000 0.936 23 Q CB 0.429 29.072 28.738 -0.159 0.000 1.188 23 Q HN 0.352 nan 8.270 nan 0.000 0.420 24 W N 4.460 125.748 121.300 -0.020 0.000 2.186 24 W HA 0.146 4.815 4.660 0.015 0.000 0.355 24 W C -2.000 174.513 176.519 -0.009 0.000 1.293 24 W CA -1.805 55.524 57.345 -0.026 0.000 1.316 24 W CB -1.045 28.382 29.460 -0.055 0.000 1.212 24 W HN 0.548 nan 8.180 nan 0.000 0.610 25 P HA 0.192 nan 4.420 nan 0.000 0.271 25 P C -0.472 176.908 177.300 0.133 0.000 1.216 25 P CA 0.110 63.288 63.100 0.131 0.000 0.776 25 P CB 0.512 32.270 31.700 0.095 0.000 0.881 26 L N 1.604 122.877 121.223 0.083 0.000 2.362 26 L HA 0.387 4.736 4.340 0.016 0.000 0.275 26 L C 0.728 177.615 176.870 0.029 0.000 0.998 26 L CA -0.788 54.089 54.840 0.062 0.000 0.820 26 L CB 2.018 44.098 42.059 0.036 0.000 1.270 26 L HN 0.290 nan 8.230 nan 0.000 0.415 27 T N 0.687 115.253 114.554 0.020 0.000 2.928 27 T HA 0.001 4.361 4.350 0.016 0.000 0.305 27 T C 1.218 175.912 174.700 -0.010 0.000 1.035 27 T CA -0.326 61.784 62.100 0.016 0.000 1.145 27 T CB 0.619 69.507 68.868 0.033 0.000 0.963 27 T HN 0.606 nan 8.240 nan 0.000 0.545 28 E N 2.981 123.186 120.200 0.007 0.000 2.219 28 E HA -0.177 4.182 4.350 0.016 0.000 0.198 28 E C 1.767 178.363 176.600 -0.007 0.000 0.998 28 E CA 1.307 57.708 56.400 0.002 0.000 0.818 28 E CB -0.164 29.546 29.700 0.017 0.000 0.741 28 E HN 0.946 nan 8.360 nan 0.000 0.477 29 E N 0.997 121.204 120.200 0.013 0.000 2.152 29 E HA -0.139 4.220 4.350 0.016 0.000 0.192 29 E C 1.607 178.141 176.600 -0.111 0.000 0.983 29 E CA 0.768 57.197 56.400 0.047 0.000 0.818 29 E CB 0.167 29.962 29.700 0.158 0.000 0.758 29 E HN 0.148 nan 8.360 nan 0.000 0.467 30 K N 0.185 120.452 120.400 -0.222 0.000 2.186 30 K HA 0.057 4.386 4.320 0.016 0.000 0.202 30 K C 2.237 178.650 176.600 -0.313 0.000 1.052 30 K CA 0.469 56.464 56.287 -0.488 0.000 0.965 30 K CB 0.124 32.389 32.500 -0.391 0.000 0.746 30 K HN 0.173 nan 8.250 nan 0.000 0.457 31 I N 1.637 122.115 120.570 -0.152 0.000 2.127 31 I HA -0.340 3.839 4.170 0.016 0.000 0.241 31 I C 2.010 178.075 176.117 -0.087 0.000 1.075 31 I CA 1.552 62.799 61.300 -0.088 0.000 1.334 31 I CB -0.218 37.761 38.000 -0.035 0.000 1.040 31 I HN 0.140 nan 8.210 nan 0.000 0.405 32 K N 0.875 121.232 120.400 -0.071 0.000 2.044 32 K HA -0.215 4.114 4.320 0.016 0.000 0.210 32 K C 2.183 178.749 176.600 -0.057 0.000 1.049 32 K CA 1.802 58.067 56.287 -0.037 0.000 0.927 32 K CB -0.366 32.135 32.500 0.001 0.000 0.713 32 K HN 0.351 nan 8.250 nan 0.000 0.443 33 A N 1.141 123.870 122.820 -0.151 0.000 1.930 33 A HA -0.110 4.220 4.320 0.016 0.000 0.217 33 A C 2.108 179.608 177.584 -0.140 0.000 1.175 33 A CA 1.175 53.113 52.037 -0.166 0.000 0.627 33 A CB -0.532 18.116 19.000 -0.588 0.000 0.815 33 A HN 0.148 nan 8.150 nan 0.000 0.443 34 L N -0.670 120.449 121.223 -0.173 0.000 1.988 34 L HA -0.156 4.194 4.340 0.016 0.000 0.207 34 L C 2.558 179.384 176.870 -0.073 0.000 1.071 34 L CA 1.271 56.036 54.840 -0.125 0.000 0.744 34 L CB -0.788 41.205 42.059 -0.111 0.000 0.893 34 L HN 0.236 nan 8.230 nan 0.000 0.433 35 V N -0.018 119.873 119.914 -0.038 0.000 2.278 35 V HA -0.378 3.751 4.120 0.016 0.000 0.251 35 V C 2.466 178.560 176.094 0.000 0.000 1.062 35 V CA 2.107 64.409 62.300 0.004 0.000 1.038 35 V CB -0.605 31.233 31.823 0.025 0.000 0.646 35 V HN 0.478 nan 8.190 nan 0.000 0.447 36 E N -0.394 119.804 120.200 -0.003 0.000 2.070 36 E HA -0.236 4.123 4.350 0.016 0.000 0.197 36 E C 2.184 178.781 176.600 -0.005 0.000 1.004 36 E CA 1.912 58.316 56.400 0.008 0.000 0.805 36 E CB -0.201 29.512 29.700 0.021 0.000 0.744 36 E HN 0.611 nan 8.360 nan 0.000 0.451 37 I N 0.337 120.893 120.570 -0.025 0.000 2.179 37 I HA -0.340 3.839 4.170 0.016 0.000 0.242 37 I C 2.618 178.695 176.117 -0.067 0.000 1.088 37 I CA 0.792 62.068 61.300 -0.040 0.000 1.357 37 I CB -0.302 37.666 38.000 -0.054 0.000 1.051 37 I HN 0.279 nan 8.210 nan 0.000 0.409 38 C N 0.092 119.322 119.300 -0.116 0.000 2.425 38 C HA -0.143 4.326 4.460 0.016 0.000 0.277 38 C C 3.029 177.965 174.990 -0.089 0.000 1.280 38 C CA 1.303 60.184 59.018 -0.229 0.000 1.744 38 C CB -1.073 26.364 27.740 -0.506 0.000 1.989 38 C HN 0.512 nan 8.230 nan 0.000 0.491 39 T N 0.552 115.110 114.554 0.007 0.000 2.622 39 T HA -0.211 4.148 4.350 0.016 0.000 0.266 39 T C 1.759 176.486 174.700 0.045 0.000 1.047 39 T CA 2.121 64.263 62.100 0.069 0.000 1.159 39 T CB -0.384 68.519 68.868 0.058 0.000 0.863 39 T HN 0.583 nan 8.240 nan 0.000 0.422 40 E N 1.209 121.421 120.200 0.020 0.000 2.086 40 E HA -0.168 4.191 4.350 0.016 0.000 0.200 40 E C 2.122 178.735 176.600 0.022 0.000 1.012 40 E CA 1.703 58.113 56.400 0.017 0.000 0.812 40 E CB -0.492 29.210 29.700 0.004 0.000 0.743 40 E HN 0.522 nan 8.360 nan 0.000 0.453 41 M N -0.180 119.427 119.600 0.010 0.000 2.149 41 M HA -0.181 4.309 4.480 0.016 0.000 0.261 41 M C 2.446 178.777 176.300 0.052 0.000 1.064 41 M CA 2.085 57.400 55.300 0.026 0.000 1.102 41 M CB -0.457 32.135 32.600 -0.014 0.000 1.369 41 M HN 0.238 nan 8.290 nan 0.000 0.408 42 E N 1.088 121.329 120.200 0.068 0.000 2.072 42 E HA -0.206 4.153 4.350 0.016 0.000 0.190 42 E C 2.041 178.685 176.600 0.073 0.000 0.982 42 E CA 1.072 57.536 56.400 0.106 0.000 0.803 42 E CB 0.007 29.817 29.700 0.183 0.000 0.755 42 E HN 0.410 nan 8.360 nan 0.000 0.453 43 K N 0.667 121.103 120.400 0.060 0.000 2.152 43 K HA -0.203 4.127 4.320 0.016 0.000 0.206 43 K C 1.454 178.080 176.600 0.043 0.000 1.048 43 K CA 1.764 58.077 56.287 0.044 0.000 0.933 43 K CB 0.002 32.523 32.500 0.035 0.000 0.721 43 K HN 0.170 nan 8.250 nan 0.000 0.447 44 E N -1.145 119.084 120.200 0.049 0.000 2.478 44 E HA 0.035 4.395 4.350 0.016 0.000 0.194 44 E C 0.884 177.525 176.600 0.068 0.000 1.045 44 E CA 0.396 56.828 56.400 0.054 0.000 0.868 44 E CB 0.399 30.132 29.700 0.055 0.000 0.885 44 E HN 0.651 nan 8.360 nan 0.000 0.505 45 G N 1.716 110.558 108.800 0.071 0.000 2.217 45 G HA2 -0.361 3.609 3.960 0.016 0.000 0.246 45 G HA3 -0.361 3.609 3.960 0.016 0.000 0.246 45 G C 0.981 175.940 174.900 0.099 0.000 0.990 45 G CA 0.531 45.677 45.100 0.077 0.000 0.627 45 G HN 0.222 nan 8.290 nan 0.000 0.522 46 K N 0.134 120.604 120.400 0.117 0.000 2.160 46 K HA 0.064 4.393 4.320 0.016 0.000 0.206 46 K C 1.518 178.189 176.600 0.118 0.000 1.047 46 K CA 1.628 58.012 56.287 0.161 0.000 0.930 46 K CB -0.138 32.485 32.500 0.205 0.000 0.720 46 K HN 0.826 nan 8.250 nan 0.000 0.450 47 I N -4.092 116.516 120.570 0.062 0.000 3.145 47 I HA 0.425 4.604 4.170 0.016 0.000 0.313 47 I C -0.998 175.189 176.117 0.117 0.000 1.122 47 I CA -1.108 60.221 61.300 0.048 0.000 0.987 47 I CB 2.571 40.573 38.000 0.003 0.000 1.236 47 I HN -0.351 nan 8.210 nan 0.000 0.453 48 S N 1.086 116.851 115.700 0.108 0.000 2.566 48 S HA 0.364 4.843 4.470 0.016 0.000 0.273 48 S C -0.929 173.595 174.600 -0.126 0.000 1.157 48 S CA -0.883 57.331 58.200 0.024 0.000 0.938 48 S CB 1.863 65.061 63.200 -0.004 0.000 1.087 48 S HN 0.503 nan 8.310 nan 0.000 0.474 49 K N 2.546 122.769 120.400 -0.295 0.000 2.489 49 K HA 0.247 4.577 4.320 0.016 0.000 0.278 49 K C 0.220 176.634 176.600 -0.311 0.000 1.000 49 K CA 0.354 56.319 56.287 -0.536 0.000 1.012 49 K CB 0.078 32.289 32.500 -0.481 0.000 0.903 49 K HN 0.616 nan 8.250 nan 0.000 0.485 50 I N -1.957 118.424 120.570 -0.315 0.000 3.436 50 I HA 0.668 4.848 4.170 0.016 0.000 0.300 50 I C 0.323 176.330 176.117 -0.183 0.000 1.131 50 I CA -1.149 60.030 61.300 -0.201 0.000 1.001 50 I CB 1.730 39.629 38.000 -0.168 0.000 1.305 50 I HN 0.513 nan 8.210 nan 0.000 0.494 51 G N -0.094 108.625 108.800 -0.136 0.000 2.753 51 G HA2 0.577 4.546 3.960 0.016 0.000 0.285 51 G HA3 0.577 4.546 3.960 0.016 0.000 0.285 51 G C -2.345 172.491 174.900 -0.107 0.000 1.344 51 G CA -1.317 43.713 45.100 -0.117 0.000 1.050 51 G HN 0.506 nan 8.290 nan 0.000 0.532 52 P HA 0.024 nan 4.420 nan 0.000 0.234 52 P C 1.259 178.506 177.300 -0.088 0.000 1.167 52 P CA 0.723 63.772 63.100 -0.086 0.000 0.763 52 P CB 0.421 32.077 31.700 -0.073 0.000 0.835 53 E N 0.782 120.930 120.200 -0.087 0.000 2.023 53 E HA -0.185 4.174 4.350 0.016 0.000 0.196 53 E C 0.984 177.519 176.600 -0.109 0.000 1.003 53 E CA 1.069 57.417 56.400 -0.086 0.000 0.809 53 E CB -0.980 28.675 29.700 -0.075 0.000 0.755 53 E HN -0.008 nan 8.360 nan 0.000 0.449 54 N N 1.151 119.789 118.700 -0.103 0.000 2.416 54 N HA -0.005 4.744 4.740 0.016 0.000 0.271 54 N C -1.846 173.571 175.510 -0.155 0.000 1.245 54 N CA -0.818 52.168 53.050 -0.107 0.000 0.940 54 N CB 1.102 39.562 38.487 -0.045 0.000 1.175 54 N HN 0.214 nan 8.380 nan 0.000 0.483 55 P HA 0.011 nan 4.420 nan 0.000 0.249 55 P C -0.456 176.675 177.300 -0.281 0.000 1.229 55 P CA 0.287 63.199 63.100 -0.314 0.000 0.788 55 P CB 0.111 31.572 31.700 -0.399 0.000 1.072 56 Y N 1.232 121.523 120.300 -0.016 0.000 2.301 56 Y HA 0.455 5.014 4.550 0.016 0.000 0.328 56 Y C 1.046 176.957 175.900 0.019 0.000 1.242 56 Y CA -0.134 57.978 58.100 0.021 0.000 1.323 56 Y CB 0.340 38.825 38.460 0.043 0.000 1.266 56 Y HN -0.077 nan 8.280 nan 0.000 0.527 57 N N -0.653 118.177 118.700 0.217 0.000 2.555 57 N HA 0.435 5.184 4.740 0.016 0.000 0.265 57 N C -1.988 173.595 175.510 0.120 0.000 1.135 57 N CA -0.502 52.629 53.050 0.136 0.000 0.925 57 N CB 1.639 40.160 38.487 0.057 0.000 1.662 57 N HN 0.521 nan 8.380 nan 0.000 0.489 58 T N 3.130 117.752 114.554 0.112 0.000 2.881 58 T HA 0.489 4.849 4.350 0.016 0.000 0.291 58 T C -2.771 171.845 174.700 -0.140 0.000 0.990 58 T CA -0.874 61.237 62.100 0.019 0.000 0.976 58 T CB 1.812 70.735 68.868 0.093 0.000 0.970 58 T HN 0.345 nan 8.240 nan 0.000 0.438 59 P HA 0.129 nan 4.420 nan 0.000 0.266 59 P C -1.006 175.958 177.300 -0.560 0.000 1.180 59 P CA -0.078 62.605 63.100 -0.696 0.000 0.765 59 P CB 0.460 31.430 31.700 -1.217 0.000 0.806 60 V N 3.970 123.592 119.914 -0.487 0.000 2.760 60 V HA 0.673 4.803 4.120 0.016 0.000 0.309 60 V C -0.281 175.883 176.094 0.116 0.000 1.077 60 V CA -0.472 61.736 62.300 -0.153 0.000 0.910 60 V CB 1.484 33.209 31.823 -0.164 0.000 1.008 60 V HN 0.509 nan 8.190 nan 0.000 0.424 61 F N 1.264 121.169 119.950 -0.075 0.000 2.626 61 F HA 0.980 5.516 4.527 0.015 0.000 0.311 61 F C -0.130 175.670 175.800 -0.000 0.000 1.088 61 F CA -1.352 56.693 58.000 0.075 0.000 0.949 61 F CB 1.839 41.076 39.000 0.396 0.000 1.322 61 F HN 0.607 nan 8.300 nan 0.000 0.461 62 A N 2.425 125.220 122.820 -0.040 0.000 2.309 62 A HA 0.789 5.118 4.320 0.016 0.000 0.298 62 A C -0.978 176.578 177.584 -0.047 0.000 1.165 62 A CA -0.421 51.478 52.037 -0.230 0.000 0.821 62 A CB 0.626 19.236 19.000 -0.650 0.000 1.102 62 A HN 0.623 nan 8.150 nan 0.000 0.500 71 W N 2.886 124.167 121.300 -0.032 0.000 2.381 71 W HA 0.586 5.256 4.660 0.015 0.000 0.329 71 W C 0.515 177.002 176.519 -0.055 0.000 1.157 71 W CA -0.562 56.760 57.345 -0.039 0.000 1.240 71 W CB 1.416 30.858 29.460 -0.029 0.000 1.199 71 W HN 0.300 nan 8.180 nan 0.000 0.579 72 R N 2.494 123.171 120.500 0.296 0.000 2.837 72 R HA 0.392 4.742 4.340 0.016 0.000 0.271 72 R C -1.297 174.997 176.300 -0.011 0.000 0.993 72 R CA -0.979 55.173 56.100 0.088 0.000 0.931 72 R CB 1.982 32.304 30.300 0.037 0.000 1.206 72 R HN 0.489 nan 8.270 nan 0.000 0.474 73 K N 3.344 123.708 120.400 -0.059 0.000 2.235 73 K HA 0.353 4.682 4.320 0.016 0.000 0.266 73 K C -1.662 174.851 176.600 -0.144 0.000 0.980 73 K CA -0.671 55.542 56.287 -0.122 0.000 0.849 73 K CB 1.104 33.539 32.500 -0.108 0.000 1.098 73 K HN 0.309 nan 8.250 nan 0.000 0.445 74 L N 5.280 126.353 121.223 -0.250 0.000 2.406 74 L HA 0.408 4.758 4.340 0.016 0.000 0.272 74 L C -1.679 175.150 176.870 -0.069 0.000 0.980 74 L CA -0.615 54.083 54.840 -0.237 0.000 0.831 74 L CB 1.908 43.634 42.059 -0.554 0.000 1.253 74 L HN 0.395 nan 8.230 nan 0.000 0.406 75 V N 3.483 123.330 119.914 -0.112 0.000 2.435 75 V HA 0.367 4.496 4.120 0.016 0.000 0.290 75 V C -0.481 175.416 176.094 -0.330 0.000 1.030 75 V CA -0.641 61.460 62.300 -0.332 0.000 0.881 75 V CB 1.639 32.992 31.823 -0.784 0.000 0.983 75 V HN 0.731 nan 8.190 nan 0.000 0.445 76 D N 2.891 123.154 120.400 -0.228 0.000 2.374 76 D HA 0.279 4.928 4.640 0.016 0.000 0.240 76 D C 0.298 176.520 176.300 -0.130 0.000 1.229 76 D CA 0.179 54.137 54.000 -0.070 0.000 0.895 76 D CB 0.237 41.037 40.800 -0.001 0.000 1.046 76 D HN 0.458 nan 8.370 nan 0.000 0.498 77 F N 2.034 122.075 119.950 0.151 0.000 2.693 77 F HA 0.190 4.726 4.527 0.015 0.000 0.303 77 F C 2.075 177.977 175.800 0.171 0.000 1.097 77 F CA -0.481 57.621 58.000 0.171 0.000 1.330 77 F CB 0.273 39.408 39.000 0.226 0.000 1.067 77 F HN 0.226 nan 8.300 nan 0.000 0.565 78 R N 0.512 121.183 120.500 0.286 0.000 2.133 78 R HA -0.262 4.087 4.340 0.016 0.000 0.245 78 R C 1.918 178.334 176.300 0.193 0.000 1.137 78 R CA 2.074 58.298 56.100 0.206 0.000 0.947 78 R CB -0.483 29.909 30.300 0.152 0.000 0.865 78 R HN 0.173 nan 8.270 nan 0.000 0.437 79 E N 0.748 121.059 120.200 0.184 0.000 2.051 79 E HA -0.164 4.196 4.350 0.016 0.000 0.192 79 E C 1.788 178.498 176.600 0.183 0.000 0.991 79 E CA 0.859 57.353 56.400 0.157 0.000 0.799 79 E CB -0.221 29.559 29.700 0.135 0.000 0.748 79 E HN 0.120 nan 8.360 nan 0.000 0.449 80 L N 1.052 122.433 121.223 0.263 0.000 2.012 80 L HA -0.189 4.160 4.340 0.016 0.000 0.210 80 L C 1.503 178.559 176.870 0.310 0.000 1.073 80 L CA 1.883 56.895 54.840 0.285 0.000 0.748 80 L CB -0.850 41.453 42.059 0.407 0.000 0.891 80 L HN 0.128 nan 8.230 nan 0.000 0.431 81 N N 0.026 118.921 118.700 0.326 0.000 2.149 81 N HA -0.200 4.549 4.740 0.016 0.000 0.188 81 N C 1.755 177.345 175.510 0.132 0.000 1.019 81 N CA 1.377 54.558 53.050 0.218 0.000 0.857 81 N CB -0.279 38.306 38.487 0.164 0.000 0.997 81 N HN 0.457 nan 8.380 nan 0.000 0.426 82 K N 0.437 120.911 120.400 0.124 0.000 2.211 82 K HA 0.044 4.373 4.320 0.016 0.000 0.203 82 K C 1.579 178.216 176.600 0.062 0.000 1.050 82 K CA 0.779 57.112 56.287 0.077 0.000 0.945 82 K CB 0.077 32.622 32.500 0.075 0.000 0.732 82 K HN 0.196 nan 8.250 nan 0.000 0.451 83 R N -0.042 120.508 120.500 0.082 0.000 2.312 83 R HA 0.079 4.428 4.340 0.016 0.000 0.205 83 R C 0.191 176.527 176.300 0.061 0.000 0.904 83 R CA 0.201 56.327 56.100 0.043 0.000 1.052 83 R CB 0.571 30.876 30.300 0.008 0.000 1.014 83 R HN -0.041 nan 8.270 nan 0.000 0.503 84 T N 2.304 116.944 114.554 0.143 0.000 2.889 84 T HA 0.080 4.439 4.350 0.016 0.000 0.291 84 T C 0.050 174.738 174.700 -0.020 0.000 0.995 84 T CA -0.580 61.636 62.100 0.193 0.000 1.092 84 T CB 1.417 70.529 68.868 0.406 0.000 0.954 84 T HN 0.218 nan 8.240 nan 0.000 0.506 85 Q N 2.322 122.024 119.800 -0.163 0.000 2.479 85 Q HA 0.116 4.465 4.340 0.016 0.000 0.267 85 Q C -0.760 174.907 176.000 -0.556 0.000 1.071 85 Q CA -0.335 55.260 55.803 -0.346 0.000 0.935 85 Q CB 0.414 28.892 28.738 -0.432 0.000 1.295 85 Q HN 0.417 nan 8.270 nan 0.000 0.476 86 D N 0.903 121.061 120.400 -0.403 0.000 2.341 86 D HA 0.267 4.916 4.640 0.016 0.000 0.245 86 D C -0.771 175.222 176.300 -0.513 0.000 1.106 86 D CA 0.169 53.982 54.000 -0.312 0.000 0.905 86 D CB 0.453 41.167 40.800 -0.144 0.000 1.202 86 D HN 0.353 nan 8.370 nan 0.000 0.426 87 F N -0.060 119.815 119.950 -0.125 0.000 2.575 87 F HA 0.283 4.820 4.527 0.015 0.000 0.330 87 F C 0.410 176.211 175.800 0.002 0.000 1.056 87 F CA -1.215 56.733 58.000 -0.086 0.000 0.964 87 F CB 1.078 39.967 39.000 -0.185 0.000 1.258 87 F HN 0.255 nan 8.300 nan 0.000 0.484 88 W N 3.074 124.411 121.300 0.061 0.000 2.303 88 W HA 0.257 4.926 4.660 0.015 0.000 0.318 88 W C -0.614 175.900 176.519 -0.009 0.000 1.362 88 W CA -0.050 57.293 57.345 -0.004 0.000 1.234 88 W CB 0.837 30.285 29.460 -0.022 0.000 1.248 88 W HN 0.628 nan 8.180 nan 0.000 0.546 89 E N 2.594 122.477 120.200 -0.529 0.000 2.281 89 E HA 0.224 4.584 4.350 0.016 0.000 0.257 89 E C 1.072 177.429 176.600 -0.405 0.000 0.971 89 E CA -0.702 55.480 56.400 -0.365 0.000 0.839 89 E CB 1.955 31.500 29.700 -0.259 0.000 1.238 89 E HN 0.308 nan 8.360 nan 0.000 0.412 90 V N 0.691 120.435 119.914 -0.283 0.000 2.411 90 V HA -0.438 3.692 4.120 0.016 0.000 0.225 90 V C 1.551 177.503 176.094 -0.238 0.000 0.970 90 V CA 2.847 64.998 62.300 -0.247 0.000 1.103 90 V CB -0.958 30.733 31.823 -0.222 0.000 0.871 90 V HN 0.978 nan 8.190 nan 0.000 0.510 91 Q N -2.833 116.836 119.800 -0.218 0.000 1.275 91 Q HA 0.064 4.413 4.340 0.016 0.000 0.133 91 Q C 0.679 176.611 176.000 -0.114 0.000 0.604 91 Q CA 0.599 56.304 55.803 -0.163 0.000 0.612 91 Q CB 0.077 28.756 28.738 -0.098 0.000 1.072 91 Q HN 0.940 nan 8.270 nan 0.000 0.327 92 L N 0.092 121.256 121.223 -0.098 0.000 4.215 92 L HA -0.176 4.173 4.340 0.016 0.000 0.492 92 L C -0.300 176.565 176.870 -0.007 0.000 1.049 92 L CA 1.699 56.509 54.840 -0.050 0.000 0.848 92 L CB -1.710 40.302 42.059 -0.078 0.000 1.814 92 L HN 0.211 nan 8.230 nan 0.000 0.927 93 G N 1.120 109.938 108.800 0.030 0.000 3.113 93 G HA2 0.589 4.558 3.960 0.016 0.000 0.301 93 G HA3 0.589 4.558 3.960 0.016 0.000 0.301 93 G C -0.246 174.735 174.900 0.135 0.000 1.606 93 G CA -0.099 45.036 45.100 0.058 0.000 1.060 93 G HN 0.820 nan 8.290 nan 0.000 0.540 94 I N 0.731 121.415 120.570 0.189 0.000 2.440 94 I HA 0.681 4.861 4.170 0.016 0.000 0.294 94 I C -1.765 174.492 176.117 0.234 0.000 0.995 94 I CA -2.206 59.289 61.300 0.324 0.000 1.306 94 I CB 1.485 39.737 38.000 0.420 0.000 1.407 94 I HN 0.144 nan 8.210 nan 0.000 0.501 95 P HA 0.112 nan 4.420 nan 0.000 0.274 95 P C -1.169 176.142 177.300 0.019 0.000 1.231 95 P CA 0.079 63.178 63.100 -0.002 0.000 0.790 95 P CB 0.680 32.267 31.700 -0.190 0.000 0.951 96 H N 3.571 122.522 119.070 -0.198 0.000 2.488 96 H HA 0.174 4.739 4.556 0.016 0.000 0.322 96 H C -1.629 173.404 175.328 -0.492 0.000 1.078 96 H CA -2.175 53.693 56.048 -0.299 0.000 1.260 96 H CB 1.633 31.213 29.762 -0.304 0.000 1.425 96 H HN 0.144 nan 8.280 nan 0.000 0.471 97 P HA -0.257 nan 4.420 nan 0.000 0.219 97 P C 1.084 178.086 177.300 -0.497 0.000 1.153 97 P CA 2.163 64.830 63.100 -0.721 0.000 0.865 97 P CB -0.018 30.918 31.700 -1.273 0.000 0.788 98 A N -0.215 122.379 122.820 -0.377 0.000 2.015 98 A HA 0.002 4.331 4.320 0.016 0.000 0.219 98 A C 2.558 180.334 177.584 0.319 0.000 1.163 98 A CA 1.723 53.807 52.037 0.079 0.000 0.646 98 A CB -1.679 17.496 19.000 0.292 0.000 0.806 98 A HN 0.320 nan 8.150 nan 0.000 0.448 99 G N -0.250 108.516 108.800 -0.056 0.000 2.471 99 G HA2 0.097 4.066 3.960 0.016 0.000 0.219 99 G HA3 0.097 4.066 3.960 0.016 0.000 0.219 99 G C 0.795 175.761 174.900 0.109 0.000 1.125 99 G CA 0.388 45.410 45.100 -0.130 0.000 0.775 99 G HN 0.460 nan 8.290 nan 0.000 0.548 100 L N -0.586 120.671 121.223 0.057 0.000 2.475 100 L HA 0.478 4.827 4.340 0.016 0.000 0.250 100 L C -0.039 176.891 176.870 0.100 0.000 1.224 100 L CA -0.543 54.272 54.840 -0.042 0.000 0.821 100 L CB 0.506 42.347 42.059 -0.364 0.000 1.141 100 L HN -0.090 nan 8.230 nan 0.000 0.494 101 K N 0.144 120.496 120.400 -0.079 0.000 2.340 101 K HA 0.379 4.709 4.320 0.016 0.000 0.244 101 K C -0.745 175.766 176.600 -0.148 0.000 0.973 101 K CA -0.926 55.367 56.287 0.009 0.000 0.828 101 K CB 1.384 33.889 32.500 0.009 0.000 1.226 101 K HN 0.272 nan 8.250 nan 0.000 0.437 102 K N 1.669 122.108 120.400 0.065 0.000 2.380 102 K HA 0.075 4.404 4.320 0.016 0.000 0.267 102 K C -0.609 175.982 176.600 -0.015 0.000 0.990 102 K CA 0.323 56.671 56.287 0.101 0.000 0.946 102 K CB 0.453 33.069 32.500 0.194 0.000 0.937 102 K HN 0.337 nan 8.250 nan 0.000 0.491 103 K N 2.994 123.387 120.400 -0.011 0.000 2.527 103 K HA 0.164 4.494 4.320 0.016 0.000 0.260 103 K C 0.095 176.683 176.600 -0.020 0.000 0.937 103 K CA -0.694 55.577 56.287 -0.027 0.000 0.826 103 K CB 1.758 34.227 32.500 -0.053 0.000 1.359 103 K HN 0.530 nan 8.250 nan 0.000 0.434 104 K N 0.514 120.887 120.400 -0.044 0.000 2.031 104 K HA 0.026 4.355 4.320 0.016 0.000 0.205 104 K C 0.426 176.941 176.600 -0.142 0.000 1.049 104 K CA 1.096 57.344 56.287 -0.065 0.000 0.939 104 K CB 0.221 32.689 32.500 -0.054 0.000 0.717 104 K HN 0.635 nan 8.250 nan 0.000 0.438 105 S N -0.156 115.365 115.700 -0.297 0.000 2.569 105 S HA 0.577 5.057 4.470 0.016 0.000 0.280 105 S C -0.841 173.515 174.600 -0.407 0.000 1.111 105 S CA -1.043 56.847 58.200 -0.517 0.000 0.887 105 S CB 2.753 65.305 63.200 -1.079 0.000 1.095 105 S HN -0.122 nan 8.310 nan 0.000 0.476 106 V N 1.748 121.602 119.914 -0.100 0.000 2.610 106 V HA 0.593 4.722 4.120 0.016 0.000 0.298 106 V C -0.758 175.539 176.094 0.338 0.000 1.067 106 V CA -0.540 61.880 62.300 0.200 0.000 0.894 106 V CB 1.856 33.846 31.823 0.278 0.000 1.015 106 V HN 1.125 nan 8.190 nan 0.000 0.432 107 T N 2.207 116.978 114.554 0.362 0.000 2.887 107 T HA 0.763 5.123 4.350 0.016 0.000 0.288 107 T C -0.761 174.003 174.700 0.108 0.000 1.021 107 T CA -0.850 61.410 62.100 0.267 0.000 1.000 107 T CB 2.360 71.359 68.868 0.217 0.000 1.034 107 T HN 0.591 nan 8.240 nan 0.000 0.467 108 V N 3.858 123.770 119.914 -0.003 0.000 2.531 108 V HA 0.681 4.810 4.120 0.016 0.000 0.301 108 V C -1.385 174.611 176.094 -0.163 0.000 1.034 108 V CA -1.053 61.065 62.300 -0.303 0.000 0.865 108 V CB 0.947 32.249 31.823 -0.868 0.000 0.995 108 V HN 0.842 nan 8.190 nan 0.000 0.424 109 L N 4.561 125.701 121.223 -0.137 0.000 2.334 109 L HA 0.696 5.046 4.340 0.016 0.000 0.273 109 L C -0.912 175.934 176.870 -0.041 0.000 1.013 109 L CA -0.811 53.998 54.840 -0.053 0.000 0.816 109 L CB 1.650 43.697 42.059 -0.020 0.000 1.278 109 L HN 0.470 nan 8.230 nan 0.000 0.431 110 D N 1.396 121.791 120.400 -0.007 0.000 2.428 110 D HA 0.201 4.851 4.640 0.016 0.000 0.221 110 D C -0.057 176.261 176.300 0.029 0.000 1.123 110 D CA -0.215 53.794 54.000 0.015 0.000 0.869 110 D CB 1.513 42.321 40.800 0.012 0.000 1.032 110 D HN 0.170 nan 8.370 nan 0.000 0.506 111 V N 3.092 123.044 119.914 0.064 0.000 2.358 111 V HA 0.078 4.208 4.120 0.016 0.000 0.234 111 V C 1.502 177.600 176.094 0.006 0.000 1.239 111 V CA -0.160 62.185 62.300 0.074 0.000 1.343 111 V CB -1.036 30.901 31.823 0.191 0.000 1.377 111 V HN 0.623 nan 8.190 nan 0.000 0.487 112 G N 4.170 112.963 108.800 -0.012 0.000 2.178 112 G HA2 0.095 4.064 3.960 0.016 0.000 0.244 112 G HA3 0.095 4.064 3.960 0.016 0.000 0.244 112 G C 0.527 175.376 174.900 -0.085 0.000 1.213 112 G CA 0.199 45.265 45.100 -0.056 0.000 0.912 112 G HN 1.096 nan 8.290 nan 0.000 0.474 113 D N 0.499 120.817 120.400 -0.138 0.000 2.894 113 D HA -0.271 4.378 4.640 0.016 0.000 0.216 113 D C 1.121 177.464 176.300 0.072 0.000 1.245 113 D CA 0.667 54.596 54.000 -0.117 0.000 0.728 113 D CB -1.266 39.233 40.800 -0.503 0.000 0.924 113 D HN 0.629 nan 8.370 nan 0.000 0.395 114 A N 1.346 124.075 122.820 -0.151 0.000 1.855 114 A HA -0.161 4.168 4.320 0.016 0.000 0.215 114 A C 2.035 179.487 177.584 -0.221 0.000 1.191 114 A CA 1.443 53.248 52.037 -0.387 0.000 0.613 114 A CB -0.884 17.351 19.000 -1.274 0.000 0.829 114 A HN 0.629 nan 8.150 nan 0.000 0.442 115 Y N -1.073 118.946 120.300 -0.468 0.000 2.139 115 Y HA -0.308 4.251 4.550 0.015 0.000 0.282 115 Y C 2.108 177.829 175.900 -0.299 0.000 1.179 115 Y CA 1.087 58.931 58.100 -0.428 0.000 1.161 115 Y CB -0.635 37.467 38.460 -0.598 0.000 0.970 115 Y HN 0.381 nan 8.280 nan 0.000 0.511 116 F N -0.925 119.065 119.950 0.066 0.000 2.699 116 F HA -0.068 4.468 4.527 0.015 0.000 0.298 116 F C 1.913 177.749 175.800 0.059 0.000 1.154 116 F CA 0.386 58.434 58.000 0.079 0.000 1.457 116 F CB -0.212 38.823 39.000 0.058 0.000 1.106 116 F HN -0.101 nan 8.300 nan 0.000 0.585 117 S N -0.822 115.005 115.700 0.211 0.000 2.517 117 S HA 0.156 4.635 4.470 0.016 0.000 0.214 117 S C 0.551 175.228 174.600 0.129 0.000 0.991 117 S CA -0.110 58.180 58.200 0.150 0.000 0.906 117 S CB 0.222 63.489 63.200 0.113 0.000 0.789 117 S HN -0.038 nan 8.310 nan 0.000 0.513 118 V N 4.778 124.754 119.914 0.103 0.000 2.483 118 V HA 0.365 4.494 4.120 0.016 0.000 0.295 118 V C -1.991 174.152 176.094 0.080 0.000 1.035 118 V CA -2.261 60.094 62.300 0.092 0.000 0.896 118 V CB 1.517 33.389 31.823 0.081 0.000 0.986 118 V HN 0.109 nan 8.190 nan 0.000 0.447 119 P HA 0.215 nan 4.420 nan 0.000 0.280 119 P C -1.069 176.266 177.300 0.058 0.000 1.278 119 P CA -0.218 62.931 63.100 0.081 0.000 0.787 119 P CB 1.076 32.828 31.700 0.086 0.000 1.163 120 L N -0.456 120.802 121.223 0.059 0.000 2.455 120 L HA 0.421 4.770 4.340 0.016 0.000 0.264 120 L C -0.956 175.955 176.870 0.068 0.000 0.968 120 L CA -0.753 54.111 54.840 0.039 0.000 0.827 120 L CB 1.429 43.488 42.059 0.000 0.000 1.317 120 L HN 0.166 nan 8.230 nan 0.000 0.407 121 D N 3.303 123.751 120.400 0.080 0.000 2.659 121 D HA -0.088 4.561 4.640 0.016 0.000 0.264 121 D C 1.217 177.598 176.300 0.135 0.000 1.329 121 D CA 0.847 54.913 54.000 0.111 0.000 0.963 121 D CB 0.645 41.521 40.800 0.127 0.000 1.136 121 D HN 0.658 nan 8.370 nan 0.000 0.554 122 E N 3.089 123.345 120.200 0.094 0.000 2.149 122 E HA -0.312 4.047 4.350 0.016 0.000 0.215 122 E C 0.831 177.474 176.600 0.071 0.000 1.055 122 E CA 1.794 58.236 56.400 0.071 0.000 0.870 122 E CB 0.088 29.820 29.700 0.053 0.000 0.764 122 E HN 0.670 nan 8.360 nan 0.000 0.463 123 D N -0.969 119.490 120.400 0.098 0.000 2.311 123 D HA -0.167 4.482 4.640 0.016 0.000 0.212 123 D C 1.639 178.020 176.300 0.136 0.000 0.972 123 D CA 0.654 54.712 54.000 0.097 0.000 0.887 123 D CB -0.344 40.536 40.800 0.133 0.000 0.915 123 D HN 0.222 nan 8.370 nan 0.000 0.497 124 F N 1.145 121.114 119.950 0.032 0.000 2.530 124 F HA 0.137 4.673 4.527 0.016 0.000 0.292 124 F C 2.177 177.959 175.800 -0.031 0.000 1.109 124 F CA 0.021 58.074 58.000 0.087 0.000 1.450 124 F CB 0.166 39.201 39.000 0.059 0.000 1.114 124 F HN -0.295 nan 8.300 nan 0.000 0.560 125 R N 1.100 121.612 120.500 0.020 0.000 2.159 125 R HA -0.296 4.054 4.340 0.016 0.000 0.252 125 R C 2.229 178.435 176.300 -0.156 0.000 1.144 125 R CA 2.603 58.679 56.100 -0.039 0.000 0.961 125 R CB -0.646 29.660 30.300 0.009 0.000 0.877 125 R HN 0.375 nan 8.270 nan 0.000 0.444 126 K N -0.410 119.824 120.400 -0.277 0.000 2.127 126 K HA -0.227 4.103 4.320 0.016 0.000 0.208 126 K C 1.553 177.918 176.600 -0.392 0.000 1.047 126 K CA 2.017 58.109 56.287 -0.325 0.000 0.927 126 K CB -0.577 31.687 32.500 -0.394 0.000 0.716 126 K HN 0.241 nan 8.250 nan 0.000 0.450 127 Y N 2.409 122.428 120.300 -0.467 0.000 2.574 127 Y HA -0.088 4.471 4.550 0.016 0.000 0.294 127 Y C 2.444 178.175 175.900 -0.281 0.000 1.142 127 Y CA 1.286 59.017 58.100 -0.614 0.000 1.314 127 Y CB -0.627 37.207 38.460 -1.042 0.000 0.991 127 Y HN 0.391 nan 8.280 nan 0.000 0.555 128 T N -2.534 112.002 114.554 -0.030 0.000 3.129 128 T HA 0.392 4.752 4.350 0.016 0.000 0.251 128 T C 0.928 175.893 174.700 0.442 0.000 1.117 128 T CA 0.065 62.314 62.100 0.248 0.000 1.034 128 T CB -0.567 68.453 68.868 0.253 0.000 0.968 128 T HN 0.206 nan 8.240 nan 0.000 0.526 129 A N 1.782 124.738 122.820 0.227 0.000 2.548 129 A HA 0.508 4.837 4.320 0.016 0.000 0.247 129 A C 0.059 177.783 177.584 0.233 0.000 1.067 129 A CA -0.396 51.724 52.037 0.138 0.000 0.757 129 A CB -0.670 18.365 19.000 0.058 0.000 0.996 129 A HN 0.726 nan 8.150 nan 0.000 0.504 130 F N -0.060 119.949 119.950 0.098 0.000 2.764 130 F HA 0.923 5.460 4.527 0.016 0.000 0.347 130 F C -0.102 175.728 175.800 0.050 0.000 1.151 130 F CA -0.911 57.113 58.000 0.040 0.000 1.021 130 F CB 1.430 40.431 39.000 0.000 0.000 1.438 130 F HN 0.340 nan 8.300 nan 0.000 0.516 131 T N 2.333 117.001 114.554 0.189 0.000 3.032 131 T HA 0.455 4.814 4.350 0.016 0.000 0.312 131 T C -1.183 173.599 174.700 0.137 0.000 1.078 131 T CA -0.415 61.735 62.100 0.084 0.000 1.028 131 T CB 1.682 70.556 68.868 0.011 0.000 1.091 131 T HN 0.495 nan 8.240 nan 0.000 0.457 132 I N 4.914 125.572 120.570 0.147 0.000 2.287 132 I HA 0.285 4.464 4.170 0.016 0.000 0.290 132 I C -2.001 174.151 176.117 0.059 0.000 1.069 132 I CA -3.233 58.134 61.300 0.112 0.000 1.237 132 I CB 0.300 38.386 38.000 0.144 0.000 1.418 132 I HN 0.330 nan 8.210 nan 0.000 0.481 133 P HA 0.035 nan 4.420 nan 0.000 0.266 133 P C -0.016 177.293 177.300 0.016 0.000 1.195 133 P CA -0.015 63.096 63.100 0.018 0.000 0.768 133 P CB 0.543 32.252 31.700 0.016 0.000 0.838 134 S N 2.343 118.049 115.700 0.009 0.000 2.585 134 S HA 0.180 4.659 4.470 0.016 0.000 0.273 134 S C 1.716 176.320 174.600 0.007 0.000 1.339 134 S CA -0.752 57.452 58.200 0.007 0.000 1.028 134 S CB 0.155 63.355 63.200 0.001 0.000 0.906 134 S HN 0.418 nan 8.310 nan 0.000 0.528 135 I N 0.532 121.106 120.570 0.007 0.000 2.202 135 I HA -0.125 4.055 4.170 0.016 0.000 0.242 135 I C 0.746 176.868 176.117 0.008 0.000 1.091 135 I CA 0.829 62.133 61.300 0.008 0.000 1.368 135 I CB -1.169 36.836 38.000 0.009 0.000 1.058 135 I HN 0.743 nan 8.210 nan 0.000 0.410 136 N N 1.107 119.811 118.700 0.006 0.000 2.421 136 N HA 0.190 4.939 4.740 0.016 0.000 0.285 136 N C 0.284 175.796 175.510 0.003 0.000 1.027 136 N CA -0.642 52.411 53.050 0.005 0.000 0.918 136 N CB 0.613 39.103 38.487 0.004 0.000 1.152 136 N HN 0.023 nan 8.380 nan 0.000 0.485 137 N N 2.544 121.247 118.700 0.005 0.000 1.870 137 N HA -0.392 4.357 4.740 0.016 0.000 0.142 137 N C 0.799 176.310 175.510 0.000 0.000 0.637 137 N CA 2.814 55.867 53.050 0.004 0.000 0.828 137 N CB -0.646 37.843 38.487 0.004 0.000 0.846 137 N HN 0.903 nan 8.380 nan 0.000 1.221 138 E N 0.719 120.918 120.200 -0.001 0.000 2.463 138 E HA -0.052 4.307 4.350 0.016 0.000 0.201 138 E C 0.734 177.330 176.600 -0.007 0.000 1.045 138 E CA 0.811 57.208 56.400 -0.004 0.000 0.872 138 E CB -0.344 29.354 29.700 -0.004 0.000 0.797 138 E HN 0.552 nan 8.360 nan 0.000 0.538 139 T N -1.136 113.414 114.554 -0.006 0.000 2.929 139 T HA 0.470 4.829 4.350 0.016 0.000 0.284 139 T C -2.583 172.110 174.700 -0.012 0.000 1.014 139 T CA -2.513 59.581 62.100 -0.010 0.000 1.051 139 T CB 1.752 70.615 68.868 -0.008 0.000 1.028 139 T HN -0.257 nan 8.240 nan 0.000 0.485 140 P HA 0.454 nan 4.420 nan 0.000 0.274 140 P C -0.098 177.188 177.300 -0.023 0.000 1.237 140 P CA -0.265 62.820 63.100 -0.025 0.000 0.793 140 P CB 0.482 32.160 31.700 -0.036 0.000 0.977 141 G N 1.717 110.503 108.800 -0.024 0.000 2.415 141 G HA2 0.554 4.523 3.960 0.016 0.000 0.327 141 G HA3 0.554 4.523 3.960 0.016 0.000 0.327 141 G C -0.083 174.799 174.900 -0.031 0.000 1.182 141 G CA -0.882 44.210 45.100 -0.013 0.000 0.924 141 G HN 0.577 nan 8.290 nan 0.000 0.470 142 I N 0.280 120.841 120.570 -0.015 0.000 2.752 142 I HA 0.278 4.457 4.170 0.016 0.000 0.289 142 I C -0.109 175.943 176.117 -0.108 0.000 1.197 142 I CA -0.300 60.951 61.300 -0.082 0.000 1.432 142 I CB 0.313 38.302 38.000 -0.018 0.000 1.359 142 I HN 0.038 nan 8.210 nan 0.000 0.571 143 R N 5.436 125.755 120.500 -0.303 0.000 2.346 143 R HA 0.564 4.913 4.340 0.016 0.000 0.311 143 R C -1.219 174.726 176.300 -0.592 0.000 0.983 143 R CA -0.656 55.249 56.100 -0.326 0.000 0.880 143 R CB 1.652 31.806 30.300 -0.242 0.000 1.100 143 R HN 0.643 nan 8.270 nan 0.000 0.453 144 Y N 0.056 119.933 120.300 -0.705 0.000 2.698 144 Y HA 0.375 4.934 4.550 0.016 0.000 0.332 144 Y C 0.029 175.533 175.900 -0.659 0.000 1.119 144 Y CA -0.872 56.779 58.100 -0.748 0.000 1.109 144 Y CB 1.680 39.518 38.460 -1.036 0.000 1.308 144 Y HN 0.446 nan 8.280 nan 0.000 0.499 145 Q N -0.913 118.797 119.800 -0.150 0.000 2.527 145 Q HA 0.464 4.813 4.340 0.016 0.000 0.280 145 Q C -2.306 173.769 176.000 0.125 0.000 0.977 145 Q CA -1.037 54.794 55.803 0.047 0.000 0.837 145 Q CB 1.598 30.340 28.738 0.006 0.000 1.454 145 Q HN 0.590 nan 8.270 nan 0.000 0.387 146 Y N 1.292 121.709 120.300 0.194 0.000 2.301 146 Y HA 0.268 4.828 4.550 0.016 0.000 0.328 146 Y C 0.959 176.899 175.900 0.067 0.000 1.242 146 Y CA 0.211 58.399 58.100 0.146 0.000 1.323 146 Y CB 0.904 39.418 38.460 0.090 0.000 1.266 146 Y HN 0.731 nan 8.280 nan 0.000 0.527 147 N N 0.355 119.207 118.700 0.252 0.000 2.227 147 N HA 0.080 4.829 4.740 0.016 0.000 0.196 147 N C -0.335 175.263 175.510 0.146 0.000 1.142 147 N CA 0.433 53.575 53.050 0.154 0.000 0.887 147 N CB 0.878 39.437 38.487 0.120 0.000 1.022 147 N HN 0.394 nan 8.380 nan 0.000 0.500 148 V N -1.869 118.163 119.914 0.197 0.000 3.182 148 V HA 0.545 4.674 4.120 0.016 0.000 0.311 148 V C 0.182 176.271 176.094 -0.009 0.000 1.221 148 V CA -1.086 61.284 62.300 0.117 0.000 1.060 148 V CB 1.027 32.946 31.823 0.160 0.000 1.164 148 V HN -0.157 nan 8.190 nan 0.000 0.466 149 L N 2.026 123.199 121.223 -0.085 0.000 2.456 149 L HA 0.347 4.697 4.340 0.016 0.000 0.277 149 L C -2.294 174.345 176.870 -0.385 0.000 1.124 149 L CA -1.183 53.544 54.840 -0.188 0.000 0.880 149 L CB 0.190 42.148 42.059 -0.168 0.000 1.192 149 L HN 0.457 nan 8.230 nan 0.000 0.463 150 P HA 0.027 nan 4.420 nan 0.000 0.271 150 P C -0.548 176.558 177.300 -0.323 0.000 1.216 150 P CA -0.410 62.194 63.100 -0.826 0.000 0.771 150 P CB 0.582 31.515 31.700 -1.278 0.000 0.864 151 Q N 2.608 122.286 119.800 -0.202 0.000 2.311 151 Q HA 0.344 4.694 4.340 0.016 0.000 0.272 151 Q C 1.336 177.498 176.000 0.270 0.000 1.012 151 Q CA 1.589 57.428 55.803 0.060 0.000 0.891 151 Q CB -0.570 28.276 28.738 0.179 0.000 1.201 151 Q HN 0.760 nan 8.270 nan 0.000 0.391 152 G N 2.832 111.794 108.800 0.271 0.000 2.199 152 G HA2 -0.289 3.680 3.960 0.016 0.000 0.254 152 G HA3 -0.289 3.680 3.960 0.016 0.000 0.254 152 G C -0.388 174.690 174.900 0.297 0.000 0.982 152 G CA 0.074 45.362 45.100 0.313 0.000 0.632 152 G HN 0.656 nan 8.290 nan 0.000 0.529 153 W N 1.822 123.042 121.300 -0.132 0.000 2.251 153 W HA 0.618 5.288 4.660 0.016 0.000 0.329 153 W C 1.392 177.775 176.519 -0.227 0.000 1.234 153 W CA -0.352 56.780 57.345 -0.355 0.000 1.228 153 W CB 0.812 29.837 29.460 -0.724 0.000 1.135 153 W HN 0.071 nan 8.180 nan 0.000 0.576 154 K N 2.623 122.473 120.400 -0.917 0.000 2.044 154 K HA -0.182 4.147 4.320 0.016 0.000 0.210 154 K C 1.858 177.682 176.600 -1.293 0.000 1.049 154 K CA 2.229 57.997 56.287 -0.864 0.000 0.927 154 K CB -0.665 31.508 32.500 -0.545 0.000 0.713 154 K HN 0.775 nan 8.250 nan 0.000 0.443 155 G N 0.054 107.344 108.800 -2.517 0.000 2.556 155 G HA2 -0.248 3.721 3.960 0.016 0.000 0.215 155 G HA3 -0.248 3.721 3.960 0.016 0.000 0.215 155 G C 1.211 175.306 174.900 -1.343 0.000 1.258 155 G CA 1.175 44.739 45.100 -2.560 0.000 0.811 155 G HN 0.404 nan 8.290 nan 0.000 0.557 156 S N 1.840 117.046 115.700 -0.823 0.000 2.614 156 S HA -0.288 4.191 4.470 0.016 0.000 0.365 156 S C 0.259 174.336 174.600 -0.871 0.000 1.312 156 S CA 2.524 60.293 58.200 -0.720 0.000 1.416 156 S CB -1.880 60.896 63.200 -0.705 0.000 1.399 156 S HN 0.397 nan 8.310 nan 0.000 0.473 157 P HA -0.147 nan 4.420 nan 0.000 0.213 157 P C 1.713 178.796 177.300 -0.362 0.000 1.176 157 P CA 2.034 64.888 63.100 -0.410 0.000 0.919 157 P CB -0.269 31.274 31.700 -0.262 0.000 0.791 158 A N -0.667 121.888 122.820 -0.442 0.000 1.841 158 A HA -0.222 4.108 4.320 0.016 0.000 0.216 158 A C 2.277 179.670 177.584 -0.319 0.000 1.199 158 A CA 1.989 53.811 52.037 -0.359 0.000 0.621 158 A CB -1.797 16.981 19.000 -0.371 0.000 0.835 158 A HN 0.090 nan 8.150 nan 0.000 0.445 159 I N -1.392 118.940 120.570 -0.396 0.000 2.194 159 I HA -0.300 3.879 4.170 0.016 0.000 0.246 159 I C 2.447 178.481 176.117 -0.139 0.000 1.093 159 I CA 2.035 63.191 61.300 -0.240 0.000 1.355 159 I CB -0.402 37.458 38.000 -0.234 0.000 1.046 159 I HN 0.572 nan 8.210 nan 0.000 0.413 160 F N 1.376 121.126 119.950 -0.333 0.000 2.102 160 F HA -0.312 4.225 4.527 0.016 0.000 0.298 160 F C 2.755 178.465 175.800 -0.150 0.000 1.105 160 F CA 1.781 59.642 58.000 -0.230 0.000 1.239 160 F CB -0.160 38.669 39.000 -0.285 0.000 0.991 160 F HN 0.014 nan 8.300 nan 0.000 0.474 161 Q N 0.456 119.868 119.800 -0.647 0.000 2.020 161 Q HA -0.249 4.101 4.340 0.016 0.000 0.202 161 Q C 2.434 178.184 176.000 -0.418 0.000 0.982 161 Q CA 2.371 57.754 55.803 -0.700 0.000 0.838 161 Q CB -0.445 28.015 28.738 -0.463 0.000 0.899 161 Q HN 0.521 nan 8.270 nan 0.000 0.423 162 S N 0.175 115.718 115.700 -0.263 0.000 2.404 162 S HA -0.289 4.190 4.470 0.016 0.000 0.230 162 S C 2.072 176.572 174.600 -0.168 0.000 1.046 162 S CA 2.830 60.930 58.200 -0.166 0.000 1.135 162 S CB -0.957 62.179 63.200 -0.106 0.000 1.056 162 S HN 0.692 nan 8.310 nan 0.000 0.426 163 S N 1.735 117.348 115.700 -0.145 0.000 2.374 163 S HA -0.181 4.299 4.470 0.016 0.000 0.227 163 S C 2.044 176.531 174.600 -0.188 0.000 1.037 163 S CA 1.694 59.814 58.200 -0.134 0.000 1.024 163 S CB -0.793 62.371 63.200 -0.060 0.000 0.861 163 S HN 0.467 nan 8.310 nan 0.000 0.456 164 M N 2.198 121.668 119.600 -0.217 0.000 2.073 164 M HA -0.106 4.384 4.480 0.016 0.000 0.258 164 M C 2.318 178.491 176.300 -0.211 0.000 1.070 164 M CA 1.989 57.152 55.300 -0.228 0.000 1.103 164 M CB -2.148 30.205 32.600 -0.411 0.000 1.321 164 M HN 0.451 nan 8.290 nan 0.000 0.405 165 T N 0.334 114.760 114.554 -0.213 0.000 2.720 165 T HA -0.177 4.182 4.350 0.016 0.000 0.268 165 T C 1.887 176.515 174.700 -0.121 0.000 1.037 165 T CA 1.474 63.480 62.100 -0.156 0.000 1.144 165 T CB -0.092 68.691 68.868 -0.143 0.000 0.864 165 T HN 0.400 nan 8.240 nan 0.000 0.444 166 K N 0.452 120.771 120.400 -0.135 0.000 2.026 166 K HA 0.049 4.378 4.320 0.016 0.000 0.208 166 K C 2.256 178.775 176.600 -0.135 0.000 1.048 166 K CA 1.096 57.316 56.287 -0.112 0.000 0.929 166 K CB -0.293 32.134 32.500 -0.121 0.000 0.713 166 K HN 0.328 nan 8.250 nan 0.000 0.439 167 I N 1.305 121.717 120.570 -0.264 0.000 2.208 167 I HA -0.295 3.884 4.170 0.016 0.000 0.245 167 I C 2.107 178.202 176.117 -0.037 0.000 1.097 167 I CA 1.269 62.352 61.300 -0.361 0.000 1.363 167 I CB -0.258 37.392 38.000 -0.584 0.000 1.051 167 I HN 0.164 nan 8.210 nan 0.000 0.413 168 L N 0.092 121.276 121.223 -0.063 0.000 2.179 168 L HA -0.136 4.213 4.340 0.016 0.000 0.208 168 L C 2.487 179.370 176.870 0.021 0.000 1.096 168 L CA 0.863 55.681 54.840 -0.036 0.000 0.779 168 L CB -0.752 41.250 42.059 -0.096 0.000 0.922 168 L HN 0.329 nan 8.230 nan 0.000 0.443 169 E N 1.184 121.393 120.200 0.014 0.000 2.095 169 E HA -0.260 4.099 4.350 0.016 0.000 0.212 169 E C -0.592 176.058 176.600 0.084 0.000 1.044 169 E CA 2.465 58.887 56.400 0.037 0.000 0.857 169 E CB -0.883 28.831 29.700 0.023 0.000 0.764 169 E HN 0.295 nan 8.360 nan 0.000 0.462 170 P HA -0.229 nan 4.420 nan 0.000 0.208 170 P C 1.591 178.969 177.300 0.131 0.000 1.189 170 P CA 1.556 64.749 63.100 0.156 0.000 0.931 170 P CB -0.637 31.224 31.700 0.268 0.000 0.783 171 F N 0.888 120.761 119.950 -0.129 0.000 2.135 171 F HA -0.299 4.237 4.527 0.015 0.000 0.300 171 F C 2.684 178.412 175.800 -0.120 0.000 1.074 171 F CA 1.706 59.553 58.000 -0.255 0.000 1.262 171 F CB -0.282 38.368 39.000 -0.583 0.000 1.013 171 F HN -0.216 nan 8.300 nan 0.000 0.489 172 R N 0.674 121.330 120.500 0.260 0.000 2.094 172 R HA -0.226 4.124 4.340 0.016 0.000 0.239 172 R C 2.252 178.611 176.300 0.098 0.000 1.137 172 R CA 2.291 58.495 56.100 0.172 0.000 0.943 172 R CB -0.532 29.817 30.300 0.083 0.000 0.850 172 R HN 0.452 nan 8.270 nan 0.000 0.433 173 K N 0.016 120.453 120.400 0.062 0.000 2.366 173 K HA -0.084 4.246 4.320 0.016 0.000 0.198 173 K C 1.946 178.547 176.600 0.000 0.000 1.044 173 K CA 0.782 57.087 56.287 0.031 0.000 0.973 173 K CB 0.035 32.553 32.500 0.030 0.000 0.767 173 K HN 0.025 nan 8.250 nan 0.000 0.475 174 Q N 1.624 121.405 119.800 -0.030 0.000 2.137 174 Q HA 0.018 4.367 4.340 0.016 0.000 0.198 174 Q C 0.085 176.007 176.000 -0.131 0.000 0.960 174 Q CA 0.973 56.715 55.803 -0.101 0.000 0.847 174 Q CB 0.259 28.885 28.738 -0.188 0.000 0.915 174 Q HN 0.347 nan 8.270 nan 0.000 0.448 175 N N 1.860 120.490 118.700 -0.116 0.000 3.040 175 N HA 0.149 4.899 4.740 0.016 0.000 0.305 175 N C -2.054 173.469 175.510 0.022 0.000 1.611 175 N CA -1.132 51.874 53.050 -0.073 0.000 1.049 175 N CB 1.202 39.631 38.487 -0.096 0.000 1.342 175 N HN 0.208 nan 8.380 nan 0.000 0.497 176 P HA -0.178 nan 4.420 nan 0.000 0.217 176 P C 0.608 177.929 177.300 0.035 0.000 1.151 176 P CA 1.366 64.481 63.100 0.025 0.000 0.849 176 P CB 0.155 31.862 31.700 0.012 0.000 0.787 177 D N -0.913 119.506 120.400 0.032 0.000 2.368 177 D HA -0.025 4.624 4.640 0.016 0.000 0.250 177 D C 0.637 176.978 176.300 0.069 0.000 1.142 177 D CA 0.453 54.478 54.000 0.042 0.000 0.925 177 D CB -0.168 40.653 40.800 0.034 0.000 0.896 177 D HN 0.150 nan 8.370 nan 0.000 0.525 178 I N 0.306 120.925 120.570 0.082 0.000 3.074 178 I HA 0.369 4.548 4.170 0.016 0.000 0.310 178 I C -0.167 176.005 176.117 0.092 0.000 1.153 178 I CA -1.458 59.907 61.300 0.109 0.000 0.993 178 I CB 1.992 40.084 38.000 0.155 0.000 1.237 178 I HN -0.132 nan 8.210 nan 0.000 0.443 179 V N 0.935 120.902 119.914 0.089 0.000 2.971 179 V HA 0.743 4.872 4.120 0.016 0.000 0.309 179 V C -0.912 175.224 176.094 0.069 0.000 1.130 179 V CA -0.629 61.711 62.300 0.067 0.000 0.964 179 V CB 2.639 34.489 31.823 0.045 0.000 1.029 179 V HN 0.561 nan 8.190 nan 0.000 0.427 180 I N 3.016 123.620 120.570 0.056 0.000 2.686 180 I HA 0.545 4.725 4.170 0.016 0.000 0.295 180 I C -1.696 174.471 176.117 0.083 0.000 1.114 180 I CA -0.651 60.685 61.300 0.060 0.000 1.038 180 I CB 2.540 40.539 38.000 -0.002 0.000 1.238 180 I HN 0.874 nan 8.210 nan 0.000 0.420 181 Y N 4.933 125.219 120.300 -0.023 0.000 2.391 181 Y HA 0.467 5.026 4.550 0.016 0.000 0.341 181 Y C -0.921 174.990 175.900 0.018 0.000 0.965 181 Y CA -0.449 57.612 58.100 -0.064 0.000 1.067 181 Y CB 1.572 39.901 38.460 -0.218 0.000 1.199 181 Y HN 0.496 nan 8.280 nan 0.000 0.450 182 Q N 5.136 124.582 119.800 -0.590 0.000 2.245 182 Q HA 0.381 4.731 4.340 0.016 0.000 0.256 182 Q C -1.922 173.789 176.000 -0.482 0.000 0.942 182 Q CA -1.027 54.559 55.803 -0.360 0.000 0.896 182 Q CB 2.782 31.313 28.738 -0.345 0.000 1.272 182 Q HN 0.739 nan 8.270 nan 0.000 0.442 183 Y N 3.713 123.928 120.300 -0.141 0.000 2.265 183 Y HA 0.142 4.701 4.550 0.016 0.000 0.325 183 Y C -0.368 175.621 175.900 0.148 0.000 1.190 183 Y CA -0.383 57.749 58.100 0.053 0.000 1.224 183 Y CB 0.451 39.123 38.460 0.354 0.000 1.200 183 Y HN 0.805 nan 8.280 nan 0.000 0.421 184 M N 1.516 121.091 119.600 -0.041 0.000 7.319 184 M HA -0.360 4.129 4.480 0.016 0.000 0.299 184 M C -0.196 176.304 176.300 0.335 0.000 0.480 184 M CA 2.180 57.567 55.300 0.144 0.000 1.311 184 M CB -1.454 31.277 32.600 0.219 0.000 0.421 184 M HN 0.713 nan 8.290 nan 0.000 0.612 185 D N 0.992 121.591 120.400 0.332 0.000 2.525 185 D HA 0.391 5.040 4.640 0.016 0.000 0.229 185 D C -0.850 175.585 176.300 0.225 0.000 1.202 185 D CA 0.017 54.207 54.000 0.318 0.000 0.828 185 D CB 0.190 41.084 40.800 0.156 0.000 1.008 185 D HN 0.245 nan 8.370 nan 0.000 0.493 186 D N 0.499 121.053 120.400 0.257 0.000 2.278 186 D HA 0.383 5.032 4.640 0.016 0.000 0.245 186 D C -1.147 175.255 176.300 0.170 0.000 1.052 186 D CA -0.573 53.525 54.000 0.164 0.000 0.834 186 D CB 1.644 42.591 40.800 0.245 0.000 1.194 186 D HN -0.096 nan 8.370 nan 0.000 0.481 187 L N 3.998 125.225 121.223 0.008 0.000 2.316 187 L HA 0.385 4.734 4.340 0.016 0.000 0.280 187 L C -1.551 175.308 176.870 -0.019 0.000 1.006 187 L CA -0.642 54.234 54.840 0.061 0.000 0.836 187 L CB 0.580 42.649 42.059 0.018 0.000 1.221 187 L HN 0.292 nan 8.230 nan 0.000 0.418 188 Y N 3.920 124.211 120.300 -0.015 0.000 2.326 188 Y HA 0.587 5.146 4.550 0.016 0.000 0.337 188 Y C -0.003 175.897 175.900 0.000 0.000 1.023 188 Y CA -0.893 57.179 58.100 -0.048 0.000 1.143 188 Y CB 1.525 39.899 38.460 -0.144 0.000 1.183 188 Y HN 0.219 nan 8.280 nan 0.000 0.485 189 V N 3.056 123.072 119.914 0.169 0.000 2.378 189 V HA 0.745 4.874 4.120 0.016 0.000 0.288 189 V C 0.316 176.561 176.094 0.250 0.000 1.016 189 V CA -0.894 61.499 62.300 0.154 0.000 0.840 189 V CB 1.274 33.145 31.823 0.079 0.000 0.994 189 V HN 0.934 nan 8.190 nan 0.000 0.431 190 G N 2.284 111.199 108.800 0.192 0.000 2.400 190 G HA2 0.699 4.668 3.960 0.016 0.000 0.333 190 G HA3 0.699 4.668 3.960 0.016 0.000 0.333 190 G C -0.645 174.368 174.900 0.189 0.000 1.143 190 G CA -0.393 44.808 45.100 0.168 0.000 0.914 190 G HN 0.875 nan 8.290 nan 0.000 0.480 191 S N -0.332 115.460 115.700 0.154 0.000 2.596 191 S HA 0.493 4.972 4.470 0.016 0.000 0.270 191 S C -1.367 173.263 174.600 0.050 0.000 1.155 191 S CA -0.692 57.614 58.200 0.176 0.000 0.827 191 S CB 2.197 65.681 63.200 0.474 0.000 1.130 191 S HN 0.326 nan 8.310 nan 0.000 0.467 192 D N 1.761 122.196 120.400 0.058 0.000 2.593 192 D HA 0.363 5.012 4.640 0.016 0.000 0.241 192 D C -0.081 176.243 176.300 0.039 0.000 1.257 192 D CA 0.072 54.087 54.000 0.024 0.000 0.828 192 D CB 0.189 41.001 40.800 0.020 0.000 1.049 192 D HN 0.431 nan 8.370 nan 0.000 0.490 193 L N 0.308 121.577 121.223 0.076 0.000 2.431 193 L HA 0.291 4.640 4.340 0.016 0.000 0.260 193 L C 0.923 177.841 176.870 0.079 0.000 1.098 193 L CA -0.858 54.036 54.840 0.089 0.000 0.800 193 L CB 0.828 42.971 42.059 0.138 0.000 1.210 193 L HN -0.263 nan 8.230 nan 0.000 0.465 194 E N 1.823 122.066 120.200 0.071 0.000 2.324 194 E HA 0.036 4.396 4.350 0.016 0.000 0.271 194 E C 1.200 177.855 176.600 0.091 0.000 1.028 194 E CA -0.222 56.213 56.400 0.059 0.000 0.890 194 E CB 0.764 30.490 29.700 0.043 0.000 1.004 194 E HN 0.428 nan 8.360 nan 0.000 0.431 195 I N 1.697 122.311 120.570 0.074 0.000 2.346 195 I HA -0.383 3.796 4.170 0.016 0.000 0.240 195 I C 1.675 177.868 176.117 0.127 0.000 0.970 195 I CA 2.414 63.775 61.300 0.100 0.000 1.269 195 I CB -2.163 35.870 38.000 0.056 0.000 0.971 195 I HN 0.524 nan 8.210 nan 0.000 0.412 196 G N 0.150 108.999 108.800 0.082 0.000 2.453 196 G HA2 -0.329 3.640 3.960 0.016 0.000 0.215 196 G HA3 -0.329 3.640 3.960 0.016 0.000 0.215 196 G C 1.551 176.494 174.900 0.072 0.000 1.201 196 G CA 1.257 46.397 45.100 0.067 0.000 0.784 196 G HN 0.525 nan 8.290 nan 0.000 0.545 197 Q N 0.101 119.945 119.800 0.074 0.000 2.030 197 Q HA -0.179 4.170 4.340 0.016 0.000 0.204 197 Q C 2.222 178.273 176.000 0.085 0.000 0.986 197 Q CA 2.418 58.262 55.803 0.068 0.000 0.843 197 Q CB -0.816 27.960 28.738 0.064 0.000 0.904 197 Q HN 0.732 nan 8.270 nan 0.000 0.420 198 H N -0.253 118.842 119.070 0.042 0.000 2.319 198 H HA -0.086 4.480 4.556 0.016 0.000 0.297 198 H C 1.999 177.362 175.328 0.058 0.000 1.097 198 H CA 2.248 58.327 56.048 0.052 0.000 1.285 198 H CB -0.079 29.712 29.762 0.049 0.000 1.368 198 H HN 0.205 nan 8.280 nan 0.000 0.495 199 R N -0.264 120.272 120.500 0.060 0.000 2.193 199 R HA -0.102 4.247 4.340 0.016 0.000 0.229 199 R C 1.837 178.124 176.300 -0.023 0.000 1.110 199 R CA 1.696 57.803 56.100 0.011 0.000 0.988 199 R CB -0.108 30.245 30.300 0.088 0.000 0.871 199 R HN 0.672 nan 8.270 nan 0.000 0.458 200 T N -2.104 112.448 114.554 -0.004 0.000 2.976 200 T HA 0.028 4.388 4.350 0.016 0.000 0.257 200 T C 1.760 176.467 174.700 0.013 0.000 1.051 200 T CA 0.467 62.575 62.100 0.012 0.000 1.141 200 T CB -0.057 68.825 68.868 0.024 0.000 0.881 200 T HN -0.010 nan 8.240 nan 0.000 0.461 201 K N 1.132 121.528 120.400 -0.005 0.000 2.074 201 K HA -0.001 4.328 4.320 0.016 0.000 0.209 201 K C 2.092 178.729 176.600 0.062 0.000 1.048 201 K CA 1.009 57.321 56.287 0.040 0.000 0.926 201 K CB -0.797 31.716 32.500 0.022 0.000 0.713 201 K HN 0.286 nan 8.250 nan 0.000 0.444 202 I N 1.445 121.973 120.570 -0.070 0.000 2.091 202 I HA -0.300 3.879 4.170 0.016 0.000 0.239 202 I C 1.988 178.117 176.117 0.020 0.000 1.061 202 I CA 1.651 62.912 61.300 -0.064 0.000 1.317 202 I CB -1.085 36.847 38.000 -0.113 0.000 1.031 202 I HN 0.320 nan 8.210 nan 0.000 0.401 203 E N 0.364 120.582 120.200 0.031 0.000 2.160 203 E HA -0.269 4.090 4.350 0.016 0.000 0.195 203 E C 2.017 178.681 176.600 0.107 0.000 0.991 203 E CA 1.102 57.537 56.400 0.059 0.000 0.810 203 E CB -0.296 29.433 29.700 0.048 0.000 0.742 203 E HN 0.586 nan 8.360 nan 0.000 0.466 204 E N 0.600 120.883 120.200 0.138 0.000 2.110 204 E HA -0.158 4.201 4.350 0.016 0.000 0.193 204 E C 2.159 178.993 176.600 0.389 0.000 0.988 204 E CA 0.500 57.028 56.400 0.213 0.000 0.804 204 E CB 0.015 29.820 29.700 0.175 0.000 0.745 204 E HN 0.161 nan 8.360 nan 0.000 0.458 205 L N 0.771 122.192 121.223 0.329 0.000 2.023 205 L HA -0.119 4.230 4.340 0.016 0.000 0.205 205 L C 2.383 179.299 176.870 0.077 0.000 1.073 205 L CA 1.470 56.345 54.840 0.058 0.000 0.745 205 L CB -0.425 41.472 42.059 -0.270 0.000 0.900 205 L HN 0.155 nan 8.230 nan 0.000 0.435 206 R N -0.530 120.011 120.500 0.068 0.000 2.170 206 R HA -0.215 4.134 4.340 0.016 0.000 0.242 206 R C 2.178 178.553 176.300 0.124 0.000 1.145 206 R CA 1.352 57.498 56.100 0.077 0.000 0.984 206 R CB -0.141 30.195 30.300 0.061 0.000 0.869 206 R HN 0.546 nan 8.270 nan 0.000 0.455 207 Q N -0.527 119.370 119.800 0.162 0.000 2.020 207 Q HA -0.159 4.190 4.340 0.016 0.000 0.198 207 Q C 1.953 178.082 176.000 0.215 0.000 0.974 207 Q CA 1.552 57.452 55.803 0.162 0.000 0.829 207 Q CB -0.577 28.254 28.738 0.155 0.000 0.894 207 Q HN 0.514 nan 8.270 nan 0.000 0.433 208 H N 0.881 120.073 119.070 0.204 0.000 2.353 208 H HA -0.095 4.471 4.556 0.016 0.000 0.298 208 H C 2.038 177.562 175.328 0.328 0.000 1.103 208 H CA 1.782 57.999 56.048 0.281 0.000 1.293 208 H CB -0.105 29.890 29.762 0.389 0.000 1.372 208 H HN 0.085 nan 8.280 nan 0.000 0.501 209 L N -0.429 120.993 121.223 0.332 0.000 1.976 209 L HA -0.186 4.163 4.340 0.016 0.000 0.209 209 L C 2.606 179.626 176.870 0.251 0.000 1.071 209 L CA 1.229 56.226 54.840 0.263 0.000 0.746 209 L CB -0.681 41.467 42.059 0.148 0.000 0.890 209 L HN 0.296 nan 8.230 nan 0.000 0.432 210 L N -0.242 121.084 121.223 0.170 0.000 2.089 210 L HA -0.253 4.096 4.340 0.016 0.000 0.213 210 L C 2.839 179.768 176.870 0.098 0.000 1.079 210 L CA 1.287 56.200 54.840 0.121 0.000 0.758 210 L CB -0.469 41.642 42.059 0.087 0.000 0.891 210 L HN 0.251 nan 8.230 nan 0.000 0.433 211 R N -1.218 119.323 120.500 0.067 0.000 2.249 211 R HA -0.185 4.165 4.340 0.016 0.000 0.230 211 R C 0.283 176.472 176.300 -0.185 0.000 1.121 211 R CA 1.227 57.261 56.100 -0.110 0.000 0.997 211 R CB -0.161 29.992 30.300 -0.244 0.000 0.867 211 R HN 0.382 nan 8.270 nan 0.000 0.465 212 W N -0.142 121.141 121.300 -0.029 0.000 1.710 212 W HA 0.345 5.015 4.660 0.016 0.000 0.326 212 W C 0.774 177.307 176.519 0.023 0.000 0.801 212 W CA -0.276 57.066 57.345 -0.005 0.000 2.715 212 W CB 0.314 29.774 29.460 -0.000 0.000 1.934 212 W HN 0.064 nan 8.180 nan 0.000 0.609 213 G N 1.113 110.021 108.800 0.180 0.000 2.320 213 G HA2 -0.346 3.624 3.960 0.016 0.000 0.291 213 G HA3 -0.346 3.624 3.960 0.016 0.000 0.291 213 G C 0.155 175.136 174.900 0.136 0.000 0.994 213 G CA 0.151 45.330 45.100 0.130 0.000 0.760 213 G HN 0.378 nan 8.290 nan 0.000 0.514 214 L N 1.146 122.470 121.223 0.169 0.000 2.283 214 L HA 0.424 4.774 4.340 0.016 0.000 0.287 214 L C 1.023 177.954 176.870 0.102 0.000 1.073 214 L CA -0.076 54.847 54.840 0.137 0.000 0.822 214 L CB 1.323 43.476 42.059 0.158 0.000 1.186 214 L HN 0.251 nan 8.230 nan 0.000 0.436 215 T N 1.863 116.459 114.554 0.071 0.000 2.907 215 T HA 0.658 5.017 4.350 0.016 0.000 0.284 215 T C -0.141 174.583 174.700 0.039 0.000 1.004 215 T CA -0.350 61.779 62.100 0.049 0.000 1.063 215 T CB 1.237 70.122 68.868 0.028 0.000 0.992 215 T HN 0.685 nan 8.240 nan 0.000 0.483 216 T N 2.368 116.943 114.554 0.036 0.000 2.916 216 T HA 0.667 5.026 4.350 0.016 0.000 0.305 216 T C -2.963 171.754 174.700 0.028 0.000 1.119 216 T CA -1.532 60.585 62.100 0.030 0.000 1.008 216 T CB 1.347 70.234 68.868 0.032 0.000 1.129 216 T HN 0.616 nan 8.240 nan 0.000 0.480 217 P HA 0.116 nan 4.420 nan 0.000 0.269 217 P C -0.705 176.636 177.300 0.068 0.000 1.205 217 P CA -0.007 63.119 63.100 0.044 0.000 0.780 217 P CB 0.545 32.278 31.700 0.054 0.000 0.858 218 D N 0.445 120.910 120.400 0.109 0.000 2.294 218 D HA 0.060 4.709 4.640 0.016 0.000 0.250 218 D C 1.163 177.527 176.300 0.107 0.000 1.058 218 D CA -0.477 53.592 54.000 0.114 0.000 0.950 218 D CB 1.313 42.201 40.800 0.146 0.000 1.158 218 D HN 0.150 nan 8.370 nan 0.000 0.453 219 K N 1.701 122.140 120.400 0.065 0.000 2.127 219 K HA -0.188 4.142 4.320 0.016 0.000 0.208 219 K C 1.451 178.050 176.600 -0.002 0.000 1.047 219 K CA 1.604 57.914 56.287 0.038 0.000 0.927 219 K CB 0.081 32.599 32.500 0.030 0.000 0.716 219 K HN 0.202 nan 8.250 nan 0.000 0.450 220 K N -0.331 120.056 120.400 -0.022 0.000 2.211 220 K HA -0.152 4.177 4.320 0.016 0.000 0.204 220 K C 0.933 177.237 176.600 -0.494 0.000 1.047 220 K CA 1.576 57.736 56.287 -0.213 0.000 0.935 220 K CB -0.288 32.108 32.500 -0.174 0.000 0.728 220 K HN 0.516 nan 8.250 nan 0.000 0.452 221 H N -0.865 118.217 119.070 0.020 0.000 2.916 221 H HA 0.224 4.789 4.556 0.016 0.000 0.262 221 H C -0.014 175.329 175.328 0.024 0.000 1.178 221 H CA -0.374 55.686 56.048 0.020 0.000 1.090 221 H CB 0.507 30.277 29.762 0.014 0.000 1.657 221 H HN 0.088 nan 8.280 nan 0.000 0.601 222 Q N 0.881 120.733 119.800 0.087 0.000 2.396 222 Q HA 0.279 4.628 4.340 0.016 0.000 0.221 222 Q C -0.281 175.764 176.000 0.075 0.000 1.025 222 Q CA -0.156 55.691 55.803 0.075 0.000 0.946 222 Q CB 1.214 29.990 28.738 0.063 0.000 1.224 222 Q HN 0.211 nan 8.270 nan 0.000 0.539 223 K N 1.340 121.798 120.400 0.097 0.000 2.235 223 K HA 0.296 4.625 4.320 0.016 0.000 0.266 223 K C -0.742 175.980 176.600 0.204 0.000 0.980 223 K CA -0.421 55.958 56.287 0.152 0.000 0.849 223 K CB 1.265 33.898 32.500 0.220 0.000 1.098 223 K HN 0.386 nan 8.250 nan 0.000 0.445 224 E N 2.439 122.672 120.200 0.055 0.000 2.263 224 E HA 0.371 4.730 4.350 0.016 0.000 0.264 224 E C -2.427 173.879 176.600 -0.490 0.000 0.923 224 E CA -2.211 54.144 56.400 -0.075 0.000 0.802 224 E CB 1.519 31.195 29.700 -0.040 0.000 1.228 224 E HN 0.319 nan 8.360 nan 0.000 0.417 225 P HA -0.012 nan 4.420 nan 0.000 0.270 225 P C -2.239 174.777 177.300 -0.472 0.000 1.216 225 P CA -0.375 62.148 63.100 -0.962 0.000 0.788 225 P CB -0.238 31.197 31.700 -0.441 0.000 0.883 226 P HA 0.312 nan 4.420 nan 0.000 0.278 226 P C -1.208 175.814 177.300 -0.463 0.000 1.266 226 P CA -0.072 62.705 63.100 -0.539 0.000 0.807 226 P CB 0.642 31.888 31.700 -0.757 0.000 1.094 227 F N -0.495 119.459 119.950 0.007 0.000 2.482 227 F HA 0.331 4.868 4.527 0.015 0.000 0.331 227 F C 0.156 176.062 175.800 0.177 0.000 1.115 227 F CA -0.750 57.315 58.000 0.108 0.000 0.955 227 F CB 1.224 40.312 39.000 0.147 0.000 1.136 227 F HN -0.059 nan 8.300 nan 0.000 0.452 228 L N 3.640 125.095 121.223 0.387 0.000 2.352 228 L HA 0.214 4.564 4.340 0.016 0.000 0.272 228 L C -1.123 175.973 176.870 0.376 0.000 1.109 228 L CA -0.109 54.923 54.840 0.321 0.000 0.952 228 L CB -0.050 42.133 42.059 0.206 0.000 1.314 228 L HN 0.598 nan 8.230 nan 0.000 0.427 229 W N 5.669 127.095 121.300 0.210 0.000 2.318 229 W HA 0.535 5.204 4.660 0.015 0.000 0.315 229 W C 0.080 176.717 176.519 0.198 0.000 1.033 229 W CA -1.418 56.005 57.345 0.130 0.000 1.275 229 W CB 0.899 30.374 29.460 0.026 0.000 1.250 229 W HN 0.383 nan 8.180 nan 0.000 0.421 230 M N 6.823 126.196 119.600 -0.378 0.000 2.722 230 M HA -0.239 4.250 4.480 0.016 0.000 0.175 230 M C 1.281 177.355 176.300 -0.377 0.000 1.116 230 M CA 1.848 56.847 55.300 -0.501 0.000 0.661 230 M CB -1.345 30.722 32.600 -0.889 0.000 1.168 230 M HN 1.113 nan 8.290 nan 0.000 0.800 231 G N -0.476 108.162 108.800 -0.270 0.000 2.143 231 G HA2 -0.281 3.688 3.960 0.016 0.000 0.248 231 G HA3 -0.281 3.688 3.960 0.016 0.000 0.248 231 G C -0.463 174.411 174.900 -0.044 0.000 0.991 231 G CA 0.375 45.310 45.100 -0.276 0.000 0.689 231 G HN 0.690 nan 8.290 nan 0.000 0.522 232 Y N -0.977 119.524 120.300 0.334 0.000 2.634 232 Y HA 0.709 5.268 4.550 0.015 0.000 0.340 232 Y C 0.259 176.359 175.900 0.333 0.000 1.058 232 Y CA -1.069 57.274 58.100 0.405 0.000 1.081 232 Y CB 1.822 40.561 38.460 0.465 0.000 1.295 232 Y HN 0.068 nan 8.280 nan 0.000 0.487 233 E N 1.944 122.459 120.200 0.525 0.000 2.255 233 E HA 0.447 4.806 4.350 0.016 0.000 0.256 233 E C -1.942 174.825 176.600 0.277 0.000 0.887 233 E CA -0.409 56.172 56.400 0.301 0.000 0.782 233 E CB 0.956 30.787 29.700 0.219 0.000 1.214 233 E HN 0.516 nan 8.360 nan 0.000 0.417 234 L N 5.269 126.620 121.223 0.214 0.000 2.277 234 L HA 0.394 4.743 4.340 0.016 0.000 0.284 234 L C -0.110 176.800 176.870 0.067 0.000 1.028 234 L CA -0.666 54.325 54.840 0.253 0.000 0.835 234 L CB 0.582 42.871 42.059 0.383 0.000 1.215 234 L HN 0.434 nan 8.230 nan 0.000 0.425 235 H N 3.071 122.299 119.070 0.263 0.000 2.483 235 H HA 0.240 4.805 4.556 0.015 0.000 0.338 235 H C -1.667 173.828 175.328 0.277 0.000 1.152 235 H CA -1.987 54.156 56.048 0.158 0.000 1.264 235 H CB 1.866 31.671 29.762 0.072 0.000 1.510 235 H HN 0.254 nan 8.280 nan 0.000 0.530 236 P HA -0.175 nan 4.420 nan 0.000 0.216 236 P C 0.844 178.358 177.300 0.356 0.000 1.150 236 P CA 1.660 64.896 63.100 0.227 0.000 0.843 236 P CB 0.373 32.136 31.700 0.105 0.000 0.787 237 D N -1.705 118.894 120.400 0.332 0.000 2.423 237 D HA 0.027 4.676 4.640 0.016 0.000 0.208 237 D C 0.571 176.951 176.300 0.134 0.000 1.068 237 D CA 0.447 54.613 54.000 0.278 0.000 0.860 237 D CB 0.072 40.914 40.800 0.071 0.000 0.992 237 D HN 0.291 nan 8.370 nan 0.000 0.504 238 K N -0.981 119.457 120.400 0.063 0.000 2.555 238 K HA 0.517 4.846 4.320 0.016 0.000 0.279 238 K C -1.161 175.422 176.600 -0.028 0.000 0.986 238 K CA -1.120 54.991 56.287 -0.293 0.000 0.880 238 K CB 1.795 34.053 32.500 -0.403 0.000 1.474 238 K HN 0.108 nan 8.250 nan 0.000 0.433 239 W N 0.105 121.248 121.300 -0.262 0.000 3.032 239 W HA 0.772 5.441 4.660 0.015 0.000 0.341 239 W C -1.365 175.211 176.519 0.095 0.000 1.202 239 W CA -0.920 56.426 57.345 0.002 0.000 1.132 239 W CB 1.212 30.671 29.460 -0.002 0.000 1.465 239 W HN 0.870 nan 8.180 nan 0.000 0.576 240 T N -0.389 114.331 114.554 0.278 0.000 2.649 240 T HA 0.485 4.844 4.350 0.016 0.000 0.305 240 T C -1.483 173.491 174.700 0.456 0.000 1.409 240 T CA 0.019 62.135 62.100 0.026 0.000 1.021 240 T CB 0.801 69.684 68.868 0.024 0.000 1.726 240 T HN 1.009 nan 8.240 nan 0.000 0.475 241 V N 0.859 120.959 119.914 0.310 0.000 2.667 241 V HA 0.685 4.815 4.120 0.016 0.000 0.308 241 V C 0.078 176.377 176.094 0.342 0.000 1.048 241 V CA -0.927 61.600 62.300 0.379 0.000 0.928 241 V CB 1.172 33.127 31.823 0.220 0.000 1.004 241 V HN 0.995 nan 8.190 nan 0.000 0.444 242 Q N 4.007 124.005 119.800 0.330 0.000 2.342 242 Q HA 0.124 4.473 4.340 0.016 0.000 0.330 242 Q C -2.067 174.058 176.000 0.208 0.000 1.117 242 Q CA -0.670 55.271 55.803 0.231 0.000 1.010 242 Q CB -0.062 28.773 28.738 0.161 0.000 1.204 242 Q HN 0.677 nan 8.270 nan 0.000 0.400 243 P HA -0.098 nan 4.420 nan 0.000 0.263 243 P C -0.824 176.534 177.300 0.098 0.000 1.175 243 P CA 0.753 63.931 63.100 0.131 0.000 0.761 243 P CB 0.456 32.217 31.700 0.102 0.000 0.794 244 I N 4.135 124.745 120.570 0.067 0.000 2.382 244 I HA 0.239 4.419 4.170 0.016 0.000 0.286 244 I C -0.378 175.742 176.117 0.005 0.000 1.002 244 I CA -1.232 60.090 61.300 0.037 0.000 1.135 244 I CB 1.538 39.558 38.000 0.032 0.000 1.288 244 I HN 0.107 nan 8.210 nan 0.000 0.448 245 V N 7.000 126.924 119.914 0.016 0.000 2.370 245 V HA 0.508 4.638 4.120 0.016 0.000 0.279 245 V C -0.379 175.731 176.094 0.027 0.000 1.029 245 V CA -0.561 61.748 62.300 0.014 0.000 0.870 245 V CB 1.198 33.030 31.823 0.014 0.000 0.984 245 V HN 0.617 nan 8.190 nan 0.000 0.451 246 L N 6.483 127.728 121.223 0.036 0.000 2.326 246 L HA 0.505 4.855 4.340 0.016 0.000 0.278 246 L C -1.671 175.256 176.870 0.096 0.000 1.092 246 L CA -1.407 53.485 54.840 0.085 0.000 0.810 246 L CB 1.256 43.366 42.059 0.085 0.000 1.153 246 L HN 0.509 nan 8.230 nan 0.000 0.439 247 P HA 0.087 nan 4.420 nan 0.000 0.282 247 P C -0.295 177.063 177.300 0.097 0.000 1.286 247 P CA -0.233 62.879 63.100 0.020 0.000 0.777 247 P CB 0.592 32.188 31.700 -0.173 0.000 1.184 248 E N -1.154 119.044 120.200 -0.003 0.000 3.067 248 E HA 0.103 4.462 4.350 0.016 0.000 0.188 248 E C -0.520 176.074 176.600 -0.011 0.000 0.964 248 E CA -0.154 56.288 56.400 0.070 0.000 1.286 248 E CB -0.290 29.434 29.700 0.041 0.000 1.051 248 E HN 0.182 nan 8.360 nan 0.000 0.465 249 K N 0.227 120.478 120.400 -0.248 0.000 2.339 249 K HA -0.004 4.326 4.320 0.016 0.000 0.260 249 K C 0.136 176.660 176.600 -0.126 0.000 0.989 249 K CA 0.567 56.620 56.287 -0.390 0.000 0.888 249 K CB 0.497 32.412 32.500 -0.975 0.000 0.983 249 K HN 0.121 nan 8.250 nan 0.000 0.515 250 D N -0.385 119.950 120.400 -0.109 0.000 2.525 250 D HA -0.029 4.620 4.640 0.016 0.000 0.248 250 D C 0.147 176.490 176.300 0.072 0.000 1.000 250 D CA 0.673 54.696 54.000 0.037 0.000 0.923 250 D CB 0.427 41.233 40.800 0.009 0.000 1.101 250 D HN 0.252 nan 8.370 nan 0.000 0.493 251 S N 0.161 115.825 115.700 -0.061 0.000 2.422 251 S HA 0.316 4.795 4.470 0.016 0.000 0.308 251 S C -1.347 173.188 174.600 -0.108 0.000 1.097 251 S CA -0.627 57.566 58.200 -0.013 0.000 1.099 251 S CB 0.300 63.479 63.200 -0.036 0.000 0.976 251 S HN 0.031 nan 8.310 nan 0.000 0.471 252 W N 2.972 124.268 121.300 -0.007 0.000 2.417 252 W HA 0.389 5.060 4.660 0.018 0.000 0.315 252 W C 0.296 176.810 176.519 -0.008 0.000 1.045 252 W CA -0.523 56.817 57.345 -0.008 0.000 1.221 252 W CB 1.482 30.937 29.460 -0.008 0.000 1.309 252 W HN 0.363 nan 8.180 nan 0.000 0.453 253 T N 2.624 117.289 114.554 0.184 0.000 2.875 253 T HA 0.101 4.460 4.350 0.016 0.000 0.284 253 T C 1.343 176.117 174.700 0.124 0.000 0.995 253 T CA -0.622 61.546 62.100 0.113 0.000 1.060 253 T CB 1.662 70.557 68.868 0.046 0.000 0.967 253 T HN 0.273 nan 8.240 nan 0.000 0.476 254 V N 3.179 123.143 119.914 0.084 0.000 2.277 254 V HA -0.302 3.828 4.120 0.016 0.000 0.255 254 V C 2.660 178.794 176.094 0.067 0.000 1.074 254 V CA 2.202 64.541 62.300 0.065 0.000 1.058 254 V CB -0.718 31.129 31.823 0.039 0.000 0.656 254 V HN 0.905 nan 8.190 nan 0.000 0.449 255 N N 0.185 118.918 118.700 0.056 0.000 2.058 255 N HA -0.217 4.532 4.740 0.016 0.000 0.191 255 N C 1.573 177.125 175.510 0.070 0.000 1.037 255 N CA 2.124 55.202 53.050 0.046 0.000 0.848 255 N CB -0.251 38.251 38.487 0.025 0.000 1.021 255 N HN 0.547 nan 8.380 nan 0.000 0.422 256 D N 1.045 121.502 120.400 0.096 0.000 2.123 256 D HA -0.133 4.516 4.640 0.016 0.000 0.196 256 D C 2.152 178.607 176.300 0.259 0.000 0.992 256 D CA 0.782 54.870 54.000 0.147 0.000 0.833 256 D CB -0.300 40.580 40.800 0.133 0.000 0.954 256 D HN 0.438 nan 8.370 nan 0.000 0.455 257 I N 0.947 121.673 120.570 0.259 0.000 2.179 257 I HA -0.274 3.905 4.170 0.016 0.000 0.242 257 I C 2.610 178.778 176.117 0.085 0.000 1.088 257 I CA 1.046 62.445 61.300 0.165 0.000 1.357 257 I CB -0.308 37.740 38.000 0.080 0.000 1.051 257 I HN -0.021 nan 8.210 nan 0.000 0.409 258 Q N 0.702 120.544 119.800 0.069 0.000 2.112 258 Q HA -0.260 4.089 4.340 0.016 0.000 0.206 258 Q C 2.278 178.304 176.000 0.043 0.000 0.987 258 Q CA 1.627 57.454 55.803 0.041 0.000 0.858 258 Q CB -0.150 28.607 28.738 0.032 0.000 0.905 258 Q HN 0.464 nan 8.270 nan 0.000 0.420 259 K N 0.397 120.831 120.400 0.057 0.000 2.026 259 K HA -0.156 4.173 4.320 0.016 0.000 0.208 259 K C 2.171 178.808 176.600 0.061 0.000 1.048 259 K CA 0.861 57.175 56.287 0.046 0.000 0.929 259 K CB -0.257 32.268 32.500 0.042 0.000 0.713 259 K HN 0.086 nan 8.250 nan 0.000 0.439 260 L N 1.233 122.518 121.223 0.104 0.000 2.013 260 L HA -0.231 4.118 4.340 0.016 0.000 0.212 260 L C 2.062 178.963 176.870 0.051 0.000 1.073 260 L CA 1.544 56.447 54.840 0.105 0.000 0.753 260 L CB -0.364 41.784 42.059 0.148 0.000 0.890 260 L HN -0.077 nan 8.230 nan 0.000 0.432 261 V N 0.062 119.995 119.914 0.032 0.000 2.392 261 V HA -0.248 3.881 4.120 0.016 0.000 0.249 261 V C 2.595 178.714 176.094 0.041 0.000 1.059 261 V CA 1.756 64.068 62.300 0.020 0.000 1.051 261 V CB -1.932 29.896 31.823 0.009 0.000 0.658 261 V HN 0.659 nan 8.190 nan 0.000 0.455 262 G N 0.116 108.941 108.800 0.042 0.000 2.511 262 G HA2 -0.250 3.719 3.960 0.016 0.000 0.216 262 G HA3 -0.250 3.719 3.960 0.016 0.000 0.216 262 G C 1.622 176.569 174.900 0.078 0.000 1.218 262 G CA 0.961 46.089 45.100 0.046 0.000 0.788 262 G HN 0.474 nan 8.290 nan 0.000 0.560 263 K N 0.000 120.438 120.400 0.062 0.000 2.074 263 K HA -0.004 4.325 4.320 0.016 0.000 0.209 263 K C 2.563 179.252 176.600 0.148 0.000 1.048 263 K CA 0.875 57.219 56.287 0.095 0.000 0.926 263 K CB -0.358 32.177 32.500 0.057 0.000 0.713 263 K HN 0.258 nan 8.250 nan 0.000 0.444 264 L N 1.242 122.519 121.223 0.090 0.000 2.042 264 L HA -0.245 4.104 4.340 0.016 0.000 0.210 264 L C 2.056 178.987 176.870 0.101 0.000 1.076 264 L CA 1.417 56.297 54.840 0.067 0.000 0.749 264 L CB -0.564 41.510 42.059 0.026 0.000 0.893 264 L HN 0.347 nan 8.230 nan 0.000 0.432 265 N N -0.865 117.909 118.700 0.123 0.000 2.120 265 N HA -0.268 4.481 4.740 0.016 0.000 0.188 265 N C 1.768 177.402 175.510 0.208 0.000 1.024 265 N CA 1.427 54.561 53.050 0.139 0.000 0.852 265 N CB -0.261 38.307 38.487 0.135 0.000 1.003 265 N HN 0.508 nan 8.380 nan 0.000 0.424 266 W N 2.447 123.767 121.300 0.033 0.000 2.304 266 W HA -0.293 4.377 4.660 0.017 0.000 0.315 266 W C 2.273 178.848 176.519 0.092 0.000 1.233 266 W CA 1.760 59.128 57.345 0.038 0.000 1.261 266 W CB -0.169 29.284 29.460 -0.011 0.000 1.150 266 W HN 0.045 nan 8.180 nan 0.000 0.494 267 A N 0.831 123.728 122.820 0.128 0.000 1.883 267 A HA -0.271 4.058 4.320 0.016 0.000 0.217 267 A C 2.001 179.632 177.584 0.078 0.000 1.186 267 A CA 2.677 54.767 52.037 0.089 0.000 0.624 267 A CB -1.370 17.677 19.000 0.079 0.000 0.822 267 A HN 0.370 nan 8.150 nan 0.000 0.444 268 S N 0.425 116.164 115.700 0.065 0.000 2.434 268 S HA -0.405 4.075 4.470 0.016 0.000 0.250 268 S C 2.028 176.630 174.600 0.003 0.000 1.102 268 S CA 2.164 60.389 58.200 0.041 0.000 1.104 268 S CB -0.749 62.477 63.200 0.043 0.000 0.957 268 S HN 0.910 nan 8.310 nan 0.000 0.456 269 Q N -0.202 119.594 119.800 -0.007 0.000 2.364 269 Q HA -0.014 4.336 4.340 0.016 0.000 0.209 269 Q C 1.830 177.876 176.000 0.076 0.000 0.977 269 Q CA 1.429 57.261 55.803 0.048 0.000 0.885 269 Q CB -0.176 28.628 28.738 0.110 0.000 0.941 269 Q HN 0.623 nan 8.270 nan 0.000 0.464 270 I N -1.682 118.878 120.570 -0.017 0.000 4.398 270 I HA 0.173 4.352 4.170 0.016 0.000 0.310 270 I C -0.523 175.437 176.117 -0.260 0.000 1.232 270 I CA -0.461 60.730 61.300 -0.183 0.000 1.312 270 I CB 0.897 38.656 38.000 -0.402 0.000 1.347 270 I HN -0.024 nan 8.210 nan 0.000 0.454 271 Y N 3.732 123.972 120.300 -0.101 0.000 2.452 271 Y HA 0.423 4.981 4.550 0.014 0.000 0.348 271 Y C -2.168 173.694 175.900 -0.064 0.000 0.985 271 Y CA -2.434 55.617 58.100 -0.081 0.000 1.214 271 Y CB 0.032 38.456 38.460 -0.060 0.000 1.136 271 Y HN 0.072 nan 8.280 nan 0.000 0.523 272 P HA 0.218 nan 4.420 nan 0.000 0.277 272 P C 0.593 177.919 177.300 0.043 0.000 1.240 272 P CA 0.228 63.341 63.100 0.021 0.000 0.798 272 P CB 1.099 32.799 31.700 -0.000 0.000 0.979 273 G N 1.254 110.070 108.800 0.027 0.000 2.155 273 G HA2 -0.215 3.754 3.960 0.016 0.000 0.257 273 G HA3 -0.215 3.754 3.960 0.016 0.000 0.257 273 G C 0.233 175.143 174.900 0.018 0.000 0.983 273 G CA -0.442 44.671 45.100 0.021 0.000 0.676 273 G HN 0.426 nan 8.290 nan 0.000 0.528 274 I N 0.533 121.119 120.570 0.026 0.000 2.692 274 I HA 0.277 4.456 4.170 0.016 0.000 0.284 274 I C 0.676 176.795 176.117 0.003 0.000 1.159 274 I CA 0.563 61.870 61.300 0.012 0.000 1.423 274 I CB 0.826 38.839 38.000 0.022 0.000 1.380 274 I HN 0.084 nan 8.210 nan 0.000 0.580 275 K N 5.029 125.422 120.400 -0.012 0.000 2.482 275 K HA 0.425 4.754 4.320 0.016 0.000 0.251 275 K C 0.010 176.594 176.600 -0.027 0.000 0.936 275 K CA -0.451 55.826 56.287 -0.017 0.000 0.791 275 K CB 2.931 35.417 32.500 -0.024 0.000 1.213 275 K HN 0.442 nan 8.250 nan 0.000 0.428 276 V N -0.410 119.490 119.914 -0.024 0.000 3.346 276 V HA 0.180 4.310 4.120 0.016 0.000 0.309 276 V C 1.707 177.778 176.094 -0.038 0.000 1.457 276 V CA -0.093 62.188 62.300 -0.033 0.000 1.069 276 V CB 0.208 32.021 31.823 -0.017 0.000 0.944 276 V HN 0.759 nan 8.190 nan 0.000 0.449 277 R N 0.635 121.113 120.500 -0.036 0.000 2.113 277 R HA -0.191 4.158 4.340 0.016 0.000 0.231 277 R C 2.330 178.602 176.300 -0.048 0.000 1.129 277 R CA 2.691 58.768 56.100 -0.038 0.000 0.915 277 R CB -0.262 30.015 30.300 -0.038 0.000 0.837 277 R HN 0.542 nan 8.270 nan 0.000 0.430 278 Q N 0.565 120.332 119.800 -0.057 0.000 2.112 278 Q HA -0.120 4.230 4.340 0.016 0.000 0.206 278 Q C 1.393 177.343 176.000 -0.084 0.000 0.987 278 Q CA 1.137 56.899 55.803 -0.067 0.000 0.858 278 Q CB -0.542 28.151 28.738 -0.074 0.000 0.905 278 Q HN 0.354 nan 8.270 nan 0.000 0.420 282 L N 1.792 122.989 121.223 -0.043 0.000 2.265 282 L HA -0.043 4.306 4.340 0.016 0.000 0.215 282 L C 1.733 178.593 176.870 -0.016 0.000 1.117 282 L CA 1.033 55.852 54.840 -0.035 0.000 0.782 282 L CB -0.242 41.784 42.059 -0.055 0.000 0.914 282 L HN 0.152 nan 8.230 nan 0.000 0.441 283 L N -0.788 120.427 121.223 -0.014 0.000 2.478 283 L HA 0.006 4.355 4.340 0.016 0.000 0.223 283 L C 1.044 177.912 176.870 -0.003 0.000 1.140 283 L CA 0.018 54.856 54.840 -0.004 0.000 0.842 283 L CB -0.413 41.644 42.059 -0.003 0.000 0.953 283 L HN 0.157 nan 8.230 nan 0.000 0.452 284 R N 0.481 120.976 120.500 -0.007 0.000 2.585 284 R HA 0.138 4.487 4.340 0.016 0.000 0.275 284 R C 1.382 177.681 176.300 -0.002 0.000 1.018 284 R CA 0.722 56.819 56.100 -0.006 0.000 1.072 284 R CB -0.002 30.293 30.300 -0.009 0.000 0.953 284 R HN 0.280 nan 8.270 nan 0.000 0.419 285 G N 1.544 110.344 108.800 -0.001 0.000 2.270 285 G HA2 -0.393 3.576 3.960 0.016 0.000 0.268 285 G HA3 -0.393 3.576 3.960 0.016 0.000 0.268 285 G C 0.385 175.287 174.900 0.004 0.000 0.982 285 G CA 0.808 45.909 45.100 0.001 0.000 0.628 285 G HN 0.823 nan 8.290 nan 0.000 0.544 286 T N -0.448 114.109 114.554 0.005 0.000 2.777 286 T HA 0.297 4.656 4.350 0.016 0.000 0.273 286 T C 1.207 175.912 174.700 0.008 0.000 1.016 286 T CA 1.159 63.264 62.100 0.009 0.000 1.156 286 T CB 0.897 69.772 68.868 0.011 0.000 1.019 286 T HN 0.861 nan 8.240 nan 0.000 0.503 287 K N 1.475 121.880 120.400 0.009 0.000 2.352 287 K HA 0.624 4.953 4.320 0.016 0.000 0.194 287 K C 0.527 177.131 176.600 0.008 0.000 1.038 287 K CA 0.126 56.417 56.287 0.007 0.000 1.023 287 K CB 0.552 33.056 32.500 0.007 0.000 0.840 287 K HN 0.824 nan 8.250 nan 0.000 0.519 288 A N 0.226 123.052 122.820 0.010 0.000 2.594 288 A HA 0.510 4.839 4.320 0.016 0.000 0.295 288 A C -0.307 177.285 177.584 0.013 0.000 1.071 288 A CA -0.722 51.321 52.037 0.009 0.000 0.685 288 A CB 0.890 19.895 19.000 0.008 0.000 1.285 288 A HN 0.042 nan 8.150 nan 0.000 0.405 289 L N 1.119 122.349 121.223 0.011 0.000 2.362 289 L HA -0.032 4.318 4.340 0.016 0.000 0.219 289 L C 2.504 179.384 176.870 0.016 0.000 1.134 289 L CA 2.723 57.571 54.840 0.013 0.000 0.807 289 L CB -0.314 41.751 42.059 0.009 0.000 0.927 289 L HN 0.963 nan 8.230 nan 0.000 0.447 290 T N -4.693 109.869 114.554 0.012 0.000 3.069 290 T HA 0.048 4.408 4.350 0.016 0.000 0.252 290 T C 0.806 175.516 174.700 0.016 0.000 1.053 290 T CA -0.401 61.705 62.100 0.011 0.000 0.964 290 T CB -0.204 68.666 68.868 0.004 0.000 1.005 290 T HN 0.283 nan 8.240 nan 0.000 0.532 291 E N 1.439 121.651 120.200 0.020 0.000 2.414 291 E HA 0.234 4.594 4.350 0.016 0.000 0.263 291 E C -0.834 175.789 176.600 0.037 0.000 1.000 291 E CA -0.323 56.091 56.400 0.024 0.000 0.914 291 E CB 0.693 30.406 29.700 0.022 0.000 0.948 291 E HN 0.143 nan 8.360 nan 0.000 0.444 292 V N 5.681 125.618 119.914 0.038 0.000 2.509 292 V HA 0.276 4.406 4.120 0.016 0.000 0.284 292 V C -0.130 176.001 176.094 0.062 0.000 1.047 292 V CA -0.451 61.883 62.300 0.058 0.000 0.952 292 V CB 1.182 33.034 31.823 0.048 0.000 0.988 292 V HN 0.526 nan 8.190 nan 0.000 0.469 293 I N 7.061 127.684 120.570 0.088 0.000 2.466 293 I HA 0.471 4.651 4.170 0.016 0.000 0.289 293 I C -2.238 173.926 176.117 0.079 0.000 1.026 293 I CA -2.010 59.329 61.300 0.064 0.000 1.078 293 I CB 2.181 40.208 38.000 0.045 0.000 1.249 293 I HN 0.468 nan 8.210 nan 0.000 0.429 294 P HA 0.274 nan 4.420 nan 0.000 0.279 294 P C -0.646 176.659 177.300 0.009 0.000 1.239 294 P CA -0.441 62.691 63.100 0.055 0.000 0.789 294 P CB 1.012 32.736 31.700 0.038 0.000 0.933 295 L N 2.043 123.259 121.223 -0.012 0.000 2.426 295 L HA 0.153 4.502 4.340 0.016 0.000 0.271 295 L C 1.298 178.134 176.870 -0.058 0.000 1.169 295 L CA 0.018 54.804 54.840 -0.090 0.000 0.836 295 L CB 0.149 42.109 42.059 -0.165 0.000 1.112 295 L HN 0.418 nan 8.230 nan 0.000 0.465 296 T N 0.680 115.191 114.554 -0.071 0.000 2.754 296 T HA -0.018 4.341 4.350 0.016 0.000 0.286 296 T C 1.110 175.780 174.700 -0.050 0.000 0.997 296 T CA -0.507 61.562 62.100 -0.051 0.000 0.982 296 T CB 1.125 69.962 68.868 -0.052 0.000 1.027 296 T HN 0.680 nan 8.240 nan 0.000 0.529 297 E N -0.014 120.164 120.200 -0.037 0.000 2.106 297 E HA -0.145 4.214 4.350 0.016 0.000 0.192 297 E C 1.580 178.155 176.600 -0.042 0.000 0.984 297 E CA 1.071 57.451 56.400 -0.033 0.000 0.806 297 E CB 0.098 29.785 29.700 -0.023 0.000 0.750 297 E HN 0.555 nan 8.360 nan 0.000 0.458 298 E N -0.060 120.113 120.200 -0.046 0.000 2.285 298 E HA -0.023 4.337 4.350 0.016 0.000 0.194 298 E C 1.569 178.127 176.600 -0.070 0.000 0.997 298 E CA 0.843 57.213 56.400 -0.051 0.000 0.845 298 E CB 0.011 29.685 29.700 -0.045 0.000 0.782 298 E HN 0.342 nan 8.360 nan 0.000 0.491 299 A N 1.049 123.816 122.820 -0.089 0.000 1.897 299 A HA -0.135 4.194 4.320 0.016 0.000 0.215 299 A C 1.919 179.413 177.584 -0.151 0.000 1.181 299 A CA 0.996 52.954 52.037 -0.132 0.000 0.620 299 A CB -0.182 18.723 19.000 -0.159 0.000 0.821 299 A HN 0.031 nan 8.150 nan 0.000 0.443 300 E N -0.278 119.850 120.200 -0.120 0.000 2.110 300 E HA -0.163 4.196 4.350 0.016 0.000 0.193 300 E C 1.943 178.499 176.600 -0.074 0.000 0.988 300 E CA 0.897 57.237 56.400 -0.099 0.000 0.804 300 E CB -0.393 29.273 29.700 -0.056 0.000 0.745 300 E HN 0.482 nan 8.360 nan 0.000 0.458 301 L N 1.279 122.465 121.223 -0.062 0.000 2.017 301 L HA -0.179 4.170 4.340 0.016 0.000 0.208 301 L C 2.409 179.247 176.870 -0.054 0.000 1.073 301 L CA 1.689 56.500 54.840 -0.048 0.000 0.745 301 L CB -0.316 41.718 42.059 -0.041 0.000 0.894 301 L HN 0.114 nan 8.230 nan 0.000 0.432 302 E N -0.578 119.580 120.200 -0.069 0.000 2.028 302 E HA -0.243 4.116 4.350 0.016 0.000 0.191 302 E C 2.345 178.898 176.600 -0.079 0.000 0.988 302 E CA 1.141 57.499 56.400 -0.070 0.000 0.799 302 E CB -0.209 29.443 29.700 -0.080 0.000 0.755 302 E HN 0.437 nan 8.360 nan 0.000 0.447 303 L N 0.407 121.563 121.223 -0.111 0.000 1.990 303 L HA -0.267 4.082 4.340 0.016 0.000 0.213 303 L C 2.439 179.272 176.870 -0.062 0.000 1.072 303 L CA 1.762 56.532 54.840 -0.117 0.000 0.755 303 L CB -0.365 41.583 42.059 -0.185 0.000 0.889 303 L HN 0.241 nan 8.230 nan 0.000 0.432 304 A N -0.859 121.932 122.820 -0.048 0.000 1.933 304 A HA -0.284 4.045 4.320 0.016 0.000 0.218 304 A C 2.161 179.729 177.584 -0.027 0.000 1.175 304 A CA 1.844 53.865 52.037 -0.025 0.000 0.628 304 A CB -0.604 18.384 19.000 -0.019 0.000 0.814 304 A HN 0.614 nan 8.150 nan 0.000 0.444 305 E N -0.019 120.161 120.200 -0.033 0.000 2.031 305 E HA -0.223 4.136 4.350 0.016 0.000 0.193 305 E C 1.769 178.350 176.600 -0.032 0.000 0.994 305 E CA 1.372 57.755 56.400 -0.028 0.000 0.800 305 E CB -0.134 29.548 29.700 -0.029 0.000 0.752 305 E HN 0.585 nan 8.360 nan 0.000 0.447 306 N N 0.652 119.327 118.700 -0.042 0.000 2.120 306 N HA -0.192 4.558 4.740 0.016 0.000 0.188 306 N C 1.839 177.309 175.510 -0.067 0.000 1.024 306 N CA 0.908 53.925 53.050 -0.055 0.000 0.852 306 N CB -0.462 37.989 38.487 -0.060 0.000 1.003 306 N HN 0.163 nan 8.380 nan 0.000 0.424 307 R N 1.049 121.521 120.500 -0.047 0.000 2.103 307 R HA -0.127 4.222 4.340 0.016 0.000 0.242 307 R C 1.567 177.842 176.300 -0.043 0.000 1.142 307 R CA 1.250 57.327 56.100 -0.038 0.000 0.960 307 R CB 0.131 30.426 30.300 -0.010 0.000 0.858 307 R HN 0.183 nan 8.270 nan 0.000 0.439 308 E N 0.435 120.616 120.200 -0.031 0.000 2.047 308 E HA -0.156 4.203 4.350 0.016 0.000 0.191 308 E C 2.053 178.642 176.600 -0.019 0.000 0.987 308 E CA 1.075 57.463 56.400 -0.020 0.000 0.799 308 E CB -0.195 29.497 29.700 -0.012 0.000 0.752 308 E HN 0.443 nan 8.360 nan 0.000 0.449 309 I N 0.969 121.523 120.570 -0.026 0.000 2.264 309 I HA -0.278 3.902 4.170 0.016 0.000 0.248 309 I C 2.367 178.458 176.117 -0.044 0.000 1.111 309 I CA 0.919 62.222 61.300 0.005 0.000 1.382 309 I CB -0.279 37.727 38.000 0.009 0.000 1.060 309 I HN 0.058 nan 8.210 nan 0.000 0.418 310 L N 0.137 121.243 121.223 -0.196 0.000 2.156 310 L HA -0.134 4.216 4.340 0.016 0.000 0.208 310 L C 2.464 179.256 176.870 -0.130 0.000 1.095 310 L CA 0.803 55.420 54.840 -0.372 0.000 0.770 310 L CB -0.569 41.298 42.059 -0.320 0.000 0.914 310 L HN 0.138 nan 8.230 nan 0.000 0.439 311 K N 0.583 120.955 120.400 -0.046 0.000 2.360 311 K HA -0.073 4.256 4.320 0.016 0.000 0.201 311 K C 0.280 176.907 176.600 0.045 0.000 1.046 311 K CA 0.771 57.060 56.287 0.003 0.000 0.940 311 K CB -0.079 32.422 32.500 0.002 0.000 0.748 311 K HN 0.319 nan 8.250 nan 0.000 0.465 312 E N 1.374 121.626 120.200 0.087 0.000 2.130 312 E HA 0.182 4.542 4.350 0.016 0.000 0.284 312 E C -2.456 174.257 176.600 0.188 0.000 1.018 312 E CA -2.461 54.006 56.400 0.111 0.000 0.817 312 E CB 0.934 30.694 29.700 0.101 0.000 1.078 312 E HN -0.050 nan 8.360 nan 0.000 0.396 313 P HA 0.017 nan 4.420 nan 0.000 0.279 313 P C -0.323 176.945 177.300 -0.054 0.000 1.318 313 P CA -0.202 62.960 63.100 0.104 0.000 0.819 313 P CB 0.565 32.315 31.700 0.083 0.000 0.927 314 V N 2.129 121.904 119.914 -0.231 0.000 2.732 314 V HA 0.810 4.939 4.120 0.016 0.000 0.310 314 V C -0.428 175.358 176.094 -0.513 0.000 1.053 314 V CA -0.675 61.317 62.300 -0.513 0.000 0.957 314 V CB 1.507 32.906 31.823 -0.706 0.000 1.018 314 V HN 0.621 nan 8.190 nan 0.000 0.452 315 H N 1.432 120.262 119.070 -0.400 0.000 2.894 315 H HA 0.918 5.484 4.556 0.017 0.000 0.368 315 H C -0.029 174.905 175.328 -0.657 0.000 1.181 315 H CA -0.400 55.358 56.048 -0.483 0.000 1.146 315 H CB 1.380 30.964 29.762 -0.296 0.000 1.839 315 H HN 1.004 nan 8.280 nan 0.000 0.557 316 G N 0.009 108.260 108.800 -0.914 0.000 2.437 316 G HA2 0.516 4.485 3.960 0.016 0.000 0.319 316 G HA3 0.516 4.485 3.960 0.016 0.000 0.319 316 G C -1.068 173.586 174.900 -0.410 0.000 1.158 316 G CA -0.727 43.719 45.100 -1.090 0.000 0.899 316 G HN 0.523 nan 8.290 nan 0.000 0.502 317 V N 0.269 120.208 119.914 0.042 0.000 2.881 317 V HA 0.452 4.582 4.120 0.016 0.000 0.316 317 V C -0.793 175.423 176.094 0.204 0.000 1.070 317 V CA -0.707 61.624 62.300 0.052 0.000 0.976 317 V CB 1.650 33.529 31.823 0.094 0.000 1.038 317 V HN 0.590 nan 8.190 nan 0.000 0.446 318 Y N 1.061 121.558 120.300 0.327 0.000 2.326 318 Y HA 0.327 4.887 4.550 0.016 0.000 0.324 318 Y C 0.056 176.113 175.900 0.261 0.000 1.291 318 Y CA -0.950 57.323 58.100 0.289 0.000 1.348 318 Y CB 0.383 38.960 38.460 0.194 0.000 1.294 318 Y HN 0.591 nan 8.280 nan 0.000 0.525 319 Y N 1.852 122.358 120.300 0.343 0.000 2.544 319 Y HA 0.049 4.608 4.550 0.015 0.000 0.330 319 Y C -0.087 175.875 175.900 0.104 0.000 1.136 319 Y CA -0.181 58.022 58.100 0.172 0.000 1.417 319 Y CB 0.404 39.028 38.460 0.273 0.000 1.229 319 Y HN 0.537 nan 8.280 nan 0.000 0.532 320 D N 9.022 129.225 120.400 -0.328 0.000 2.479 320 D HA 0.267 4.917 4.640 0.016 0.000 0.247 320 D C -1.961 173.909 176.300 -0.718 0.000 1.119 320 D CA -2.559 51.214 54.000 -0.379 0.000 0.922 320 D CB 1.406 42.111 40.800 -0.157 0.000 1.014 320 D HN 0.358 nan 8.370 nan 0.000 0.510 321 P HA -0.221 nan 4.420 nan 0.000 0.219 321 P C 1.187 178.287 177.300 -0.334 0.000 1.145 321 P CA 1.233 63.852 63.100 -0.803 0.000 0.813 321 P CB 0.263 31.726 31.700 -0.395 0.000 0.771 322 S N -1.889 113.652 115.700 -0.265 0.000 2.371 322 S HA -0.041 4.438 4.470 0.016 0.000 0.224 322 S C 0.944 175.473 174.600 -0.119 0.000 1.029 322 S CA 0.753 58.867 58.200 -0.144 0.000 0.978 322 S CB -0.578 62.554 63.200 -0.113 0.000 0.833 322 S HN 0.143 nan 8.310 nan 0.000 0.466 323 K N 1.885 122.200 120.400 -0.142 0.000 2.098 323 K HA 0.346 4.676 4.320 0.016 0.000 0.257 323 K C -0.728 175.817 176.600 -0.092 0.000 0.999 323 K CA -0.657 55.571 56.287 -0.099 0.000 0.924 323 K CB 0.399 32.849 32.500 -0.083 0.000 1.028 323 K HN 0.194 nan 8.250 nan 0.000 0.466 324 D N 1.166 121.514 120.400 -0.085 0.000 2.371 324 D HA 0.173 4.823 4.640 0.016 0.000 0.242 324 D C 0.032 176.228 176.300 -0.173 0.000 1.218 324 D CA -0.033 53.903 54.000 -0.106 0.000 0.945 324 D CB 0.712 41.446 40.800 -0.110 0.000 1.137 324 D HN 0.188 nan 8.370 nan 0.000 0.464 325 L N 1.339 122.413 121.223 -0.249 0.000 2.296 325 L HA 0.360 4.710 4.340 0.016 0.000 0.286 325 L C -0.367 176.210 176.870 -0.490 0.000 1.023 325 L CA -0.712 53.877 54.840 -0.418 0.000 0.812 325 L CB 1.208 42.966 42.059 -0.501 0.000 1.223 325 L HN 0.080 nan 8.230 nan 0.000 0.421 326 I N 2.800 122.970 120.570 -0.666 0.000 2.433 326 I HA 0.581 4.760 4.170 0.016 0.000 0.292 326 I C 0.113 175.662 176.117 -0.946 0.000 1.001 326 I CA -0.533 60.274 61.300 -0.821 0.000 1.119 326 I CB 1.707 39.116 38.000 -0.986 0.000 1.289 326 I HN 0.558 nan 8.210 nan 0.000 0.438 327 A N 5.172 127.549 122.820 -0.738 0.000 2.342 327 A HA 0.738 5.067 4.320 0.016 0.000 0.323 327 A C -0.538 176.916 177.584 -0.216 0.000 1.125 327 A CA -0.520 51.208 52.037 -0.515 0.000 0.785 327 A CB 1.508 20.054 19.000 -0.756 0.000 1.221 327 A HN 0.762 nan 8.150 nan 0.000 0.463 328 E N 1.686 121.881 120.200 -0.008 0.000 2.224 328 E HA 0.636 4.995 4.350 0.016 0.000 0.265 328 E C -1.469 175.265 176.600 0.223 0.000 0.878 328 E CA -0.348 56.127 56.400 0.125 0.000 0.759 328 E CB 1.410 31.209 29.700 0.165 0.000 1.164 328 E HN 0.628 nan 8.360 nan 0.000 0.414 329 I N 3.236 123.933 120.570 0.213 0.000 2.509 329 I HA 0.357 4.536 4.170 0.016 0.000 0.293 329 I C -0.625 175.655 176.117 0.271 0.000 1.020 329 I CA -0.907 60.545 61.300 0.252 0.000 1.088 329 I CB 1.886 39.981 38.000 0.159 0.000 1.267 329 I HN 0.428 nan 8.210 nan 0.000 0.430 330 Q N 3.945 123.932 119.800 0.311 0.000 2.433 330 Q HA 0.461 4.810 4.340 0.016 0.000 0.279 330 Q C -0.881 175.269 176.000 0.249 0.000 1.105 330 Q CA -0.918 55.036 55.803 0.252 0.000 0.815 330 Q CB 2.502 31.333 28.738 0.155 0.000 1.403 330 Q HN 0.350 nan 8.270 nan 0.000 0.435 331 K N 1.319 121.733 120.400 0.023 0.000 2.262 331 K HA 0.120 4.449 4.320 0.016 0.000 0.282 331 K C 0.144 176.604 176.600 -0.233 0.000 1.066 331 K CA 0.062 56.097 56.287 -0.420 0.000 0.901 331 K CB 0.749 32.892 32.500 -0.593 0.000 1.089 331 K HN 0.702 nan 8.250 nan 0.000 0.476 332 Q N 2.505 122.167 119.800 -0.230 0.000 2.339 332 Q HA 0.131 4.481 4.340 0.016 0.000 0.205 332 Q C 0.035 175.950 176.000 -0.143 0.000 0.925 332 Q CA 0.448 56.180 55.803 -0.119 0.000 0.898 332 Q CB 0.590 29.296 28.738 -0.054 0.000 1.013 332 Q HN 0.831 nan 8.270 nan 0.000 0.504 333 G N 0.112 108.776 108.800 -0.227 0.000 2.576 333 G HA2 0.095 4.064 3.960 0.016 0.000 0.290 333 G HA3 0.095 4.064 3.960 0.016 0.000 0.290 333 G C -1.901 172.846 174.900 -0.254 0.000 1.442 333 G CA -0.836 44.155 45.100 -0.182 0.000 0.792 333 G HN 0.152 nan 8.290 nan 0.000 0.491 334 Q N -0.185 119.509 119.800 -0.177 0.000 2.263 334 Q HA 0.375 4.724 4.340 0.016 0.000 0.289 334 Q C 1.471 177.385 176.000 -0.144 0.000 1.061 334 Q CA 1.850 57.553 55.803 -0.166 0.000 0.927 334 Q CB 0.140 28.813 28.738 -0.109 0.000 1.154 334 Q HN 2.072 nan 8.270 nan 0.000 0.378 335 G N 3.107 111.826 108.800 -0.135 0.000 2.304 335 G HA2 -0.306 3.664 3.960 0.016 0.000 0.252 335 G HA3 -0.306 3.664 3.960 0.016 0.000 0.252 335 G C -0.037 174.861 174.900 -0.004 0.000 1.014 335 G CA 0.437 45.547 45.100 0.017 0.000 0.619 335 G HN 0.581 nan 8.290 nan 0.000 0.525 336 Q N -0.394 119.273 119.800 -0.221 0.000 2.257 336 Q HA 0.631 4.981 4.340 0.016 0.000 0.255 336 Q C -0.904 174.896 176.000 -0.334 0.000 0.920 336 Q CA -0.227 55.499 55.803 -0.129 0.000 0.927 336 Q CB 0.766 29.452 28.738 -0.087 0.000 1.229 336 Q HN 0.447 nan 8.270 nan 0.000 0.433 337 W N 1.105 122.501 121.300 0.160 0.000 2.883 337 W HA 0.522 5.194 4.660 0.020 0.000 0.335 337 W C -0.584 176.040 176.519 0.176 0.000 1.083 337 W CA -0.774 56.668 57.345 0.161 0.000 1.233 337 W CB 1.623 31.187 29.460 0.173 0.000 1.412 337 W HN 0.478 nan 8.180 nan 0.000 0.490 338 T N 0.233 114.995 114.554 0.347 0.000 2.855 338 T HA 0.777 5.137 4.350 0.016 0.000 0.281 338 T C -1.107 173.759 174.700 0.277 0.000 1.007 338 T CA -0.672 61.556 62.100 0.212 0.000 1.009 338 T CB 1.456 70.391 68.868 0.113 0.000 0.983 338 T HN 0.420 nan 8.240 nan 0.000 0.455 339 Y N -0.106 120.295 120.300 0.168 0.000 2.615 339 Y HA 0.759 5.317 4.550 0.013 0.000 0.341 339 Y C -1.335 174.643 175.900 0.131 0.000 1.089 339 Y CA -1.371 56.817 58.100 0.146 0.000 1.049 339 Y CB 1.738 40.280 38.460 0.136 0.000 1.296 339 Y HN 0.768 nan 8.280 nan 0.000 0.470 340 Q N 2.568 122.575 119.800 0.345 0.000 2.284 340 Q HA 0.511 4.860 4.340 0.016 0.000 0.269 340 Q C -1.980 174.154 176.000 0.224 0.000 1.026 340 Q CA -0.678 55.278 55.803 0.255 0.000 0.831 340 Q CB 2.755 31.613 28.738 0.200 0.000 1.322 340 Q HN 0.872 nan 8.270 nan 0.000 0.419 341 I N 3.653 124.338 120.570 0.193 0.000 2.359 341 I HA 0.518 4.697 4.170 0.016 0.000 0.294 341 I C -0.680 175.415 176.117 -0.037 0.000 0.987 341 I CA -0.630 60.632 61.300 -0.063 0.000 1.225 341 I CB 0.793 38.793 38.000 -0.001 0.000 1.366 341 I HN 0.627 nan 8.210 nan 0.000 0.466 342 Y N 2.882 123.081 120.300 -0.169 0.000 2.677 342 Y HA 0.615 5.172 4.550 0.013 0.000 0.334 342 Y C -0.027 175.748 175.900 -0.207 0.000 1.154 342 Y CA -0.948 57.059 58.100 -0.155 0.000 1.070 342 Y CB 1.027 39.404 38.460 -0.138 0.000 1.294 342 Y HN 0.487 nan 8.280 nan 0.000 0.475 343 Q N -0.220 119.647 119.800 0.111 0.000 2.580 343 Q HA 0.222 4.572 4.340 0.016 0.000 0.239 343 Q C -0.489 175.588 176.000 0.128 0.000 0.873 343 Q CA -0.052 55.757 55.803 0.009 0.000 0.951 343 Q CB 1.003 29.716 28.738 -0.042 0.000 1.172 343 Q HN 0.730 nan 8.270 nan 0.000 0.616 344 E N 2.087 122.359 120.200 0.120 0.000 2.249 344 E HA 0.206 4.566 4.350 0.016 0.000 0.280 344 E C -2.525 174.073 176.600 -0.003 0.000 1.016 344 E CA -2.404 54.033 56.400 0.062 0.000 0.830 344 E CB 1.158 30.874 29.700 0.027 0.000 1.081 344 E HN -0.134 nan 8.360 nan 0.000 0.395 345 P HA -0.182 nan 4.420 nan 0.000 0.241 345 P C -0.854 176.335 177.300 -0.184 0.000 1.093 345 P CA 0.924 63.944 63.100 -0.134 0.000 0.843 345 P CB -0.375 31.379 31.700 0.091 0.000 0.760 346 F N 0.496 119.840 119.950 -1.009 0.000 3.097 346 F HA -0.266 4.268 4.527 0.012 0.000 0.278 346 F C 1.020 176.580 175.800 -0.399 0.000 0.917 346 F CA 1.139 58.666 58.000 -0.789 0.000 0.962 346 F CB -1.722 37.020 39.000 -0.430 0.000 0.964 346 F HN 0.301 nan 8.300 nan 0.000 0.668 347 K N 1.345 121.624 120.400 -0.203 0.000 2.540 347 K HA 0.269 4.599 4.320 0.016 0.000 0.218 347 K C 0.063 176.687 176.600 0.039 0.000 1.017 347 K CA -0.594 55.665 56.287 -0.048 0.000 1.029 347 K CB 0.413 32.901 32.500 -0.020 0.000 1.348 347 K HN 0.092 nan 8.250 nan 0.000 0.508 348 N N 3.331 122.065 118.700 0.057 0.000 2.374 348 N HA -0.041 4.709 4.740 0.016 0.000 0.241 348 N C 0.706 176.309 175.510 0.155 0.000 1.262 348 N CA 0.058 53.192 53.050 0.139 0.000 0.880 348 N CB 0.670 39.221 38.487 0.106 0.000 1.105 348 N HN 0.466 nan 8.380 nan 0.000 0.438 349 L N -0.426 120.941 121.223 0.240 0.000 2.425 349 L HA 0.248 4.597 4.340 0.016 0.000 0.215 349 L C 0.926 178.178 176.870 0.636 0.000 1.065 349 L CA 0.753 55.836 54.840 0.404 0.000 0.842 349 L CB 0.032 42.283 42.059 0.322 0.000 1.033 349 L HN 0.603 nan 8.230 nan 0.000 0.474 350 K N -0.962 119.718 120.400 0.467 0.000 2.607 350 K HA 0.454 4.784 4.320 0.016 0.000 0.287 350 K C -1.327 175.438 176.600 0.274 0.000 0.996 350 K CA -0.116 56.465 56.287 0.490 0.000 0.876 350 K CB 1.841 34.625 32.500 0.473 0.000 1.496 350 K HN -0.034 nan 8.250 nan 0.000 0.415 351 T N -1.602 113.042 114.554 0.150 0.000 2.618 351 T HA 0.926 5.285 4.350 0.016 0.000 0.286 351 T C 0.049 174.530 174.700 -0.365 0.000 1.027 351 T CA -0.301 61.758 62.100 -0.068 0.000 1.063 351 T CB 1.690 70.513 68.868 -0.075 0.000 1.440 351 T HN 0.948 nan 8.240 nan 0.000 0.505 352 G N -0.358 108.002 108.800 -0.735 0.000 2.320 352 G HA2 0.486 4.455 3.960 0.016 0.000 0.297 352 G HA3 0.486 4.455 3.960 0.016 0.000 0.297 352 G C -2.107 172.419 174.900 -0.624 0.000 1.344 352 G CA -0.981 43.676 45.100 -0.738 0.000 0.851 352 G HN 0.775 nan 8.290 nan 0.000 0.567 353 K N -1.273 119.052 120.400 -0.124 0.000 2.313 353 K HA 0.727 5.056 4.320 0.016 0.000 0.235 353 K C -1.818 175.027 176.600 0.408 0.000 1.035 353 K CA -1.007 55.366 56.287 0.143 0.000 0.868 353 K CB 2.661 35.226 32.500 0.109 0.000 1.232 353 K HN 0.602 nan 8.250 nan 0.000 0.459 354 Y N -0.544 119.920 120.300 0.275 0.000 2.274 354 Y HA 0.360 4.918 4.550 0.014 0.000 0.323 354 Y C -0.993 175.081 175.900 0.290 0.000 1.171 354 Y CA -0.395 57.867 58.100 0.270 0.000 1.163 354 Y CB 1.179 39.796 38.460 0.262 0.000 1.183 354 Y HN 0.654 nan 8.280 nan 0.000 0.424 355 A N 4.672 127.451 122.820 -0.069 0.000 2.324 355 A HA 0.252 4.581 4.320 0.016 0.000 0.220 355 A C 0.813 178.291 177.584 -0.176 0.000 1.209 355 A CA -0.258 51.769 52.037 -0.017 0.000 0.918 355 A CB 0.163 19.155 19.000 -0.013 0.000 0.959 355 A HN 0.473 nan 8.150 nan 0.000 0.507 356 R N 1.283 121.435 120.500 -0.581 0.000 3.252 356 R HA -0.075 4.274 4.340 0.016 0.000 0.333 356 R C -0.380 175.809 176.300 -0.185 0.000 0.722 356 R CA 0.484 56.276 56.100 -0.513 0.000 1.078 356 R CB -0.747 29.007 30.300 -0.911 0.000 0.898 356 R HN 0.587 nan 8.270 nan 0.000 0.379 357 M N 6.083 125.647 119.600 -0.059 0.000 2.063 357 M HA 0.210 4.700 4.480 0.016 0.000 0.348 357 M C -0.319 175.988 176.300 0.012 0.000 1.180 357 M CA -0.260 55.052 55.300 0.021 0.000 1.059 357 M CB 0.539 33.147 32.600 0.013 0.000 1.544 357 M HN 0.267 nan 8.290 nan 0.000 0.447 358 R N 4.204 124.732 120.500 0.046 0.000 2.391 358 R HA 0.585 4.934 4.340 0.016 0.000 0.310 358 R C -0.165 176.165 176.300 0.050 0.000 1.174 358 R CA -0.240 55.889 56.100 0.049 0.000 1.118 358 R CB 0.565 30.911 30.300 0.077 0.000 1.134 358 R HN 0.992 nan 8.270 nan 0.000 0.524 359 G N 0.681 109.491 108.800 0.017 0.000 2.640 359 G HA2 -0.062 3.907 3.960 0.016 0.000 0.686 359 G HA3 -0.062 3.907 3.960 0.016 0.000 0.686 359 G C 0.433 175.265 174.900 -0.114 0.000 1.229 359 G CA -0.511 44.580 45.100 -0.014 0.000 0.796 359 G HN 0.459 nan 8.290 nan 0.000 0.654 360 A N 1.155 123.809 122.820 -0.277 0.000 2.032 360 A HA 0.170 4.499 4.320 0.016 0.000 0.221 360 A C 1.095 178.355 177.584 -0.540 0.000 1.165 360 A CA 2.318 54.064 52.037 -0.484 0.000 0.645 360 A CB -0.537 18.046 19.000 -0.696 0.000 0.807 360 A HN 1.330 nan 8.150 nan 0.000 0.453 361 H N -1.931 117.170 119.070 0.053 0.000 2.895 361 H HA 0.633 5.198 4.556 0.015 0.000 0.373 361 H C -0.599 174.758 175.328 0.048 0.000 1.174 361 H CA 0.041 56.112 56.048 0.038 0.000 1.144 361 H CB 1.372 31.155 29.762 0.035 0.000 1.793 361 H HN 0.260 nan 8.280 nan 0.000 0.551 362 T N -0.357 114.276 114.554 0.132 0.000 2.677 362 T HA 0.299 4.658 4.350 0.016 0.000 0.305 362 T C -0.931 173.749 174.700 -0.034 0.000 1.569 362 T CA -1.230 60.897 62.100 0.044 0.000 0.984 362 T CB 1.643 70.527 68.868 0.027 0.000 1.629 362 T HN 0.755 nan 8.240 nan 0.000 0.494 363 N N -1.142 117.460 118.700 -0.164 0.000 2.321 363 N HA 0.439 5.188 4.740 0.016 0.000 0.290 363 N C -0.104 175.299 175.510 -0.179 0.000 1.212 363 N CA -0.857 52.064 53.050 -0.214 0.000 0.767 363 N CB 0.965 39.217 38.487 -0.391 0.000 1.494 363 N HN 0.476 nan 8.380 nan 0.000 0.479 364 D N 0.287 120.673 120.400 -0.024 0.000 2.172 364 D HA -0.142 4.507 4.640 0.016 0.000 0.196 364 D C 1.614 177.891 176.300 -0.039 0.000 0.999 364 D CA 1.227 55.340 54.000 0.188 0.000 0.856 364 D CB -0.147 40.828 40.800 0.291 0.000 0.934 364 D HN 0.400 nan 8.370 nan 0.000 0.453 365 V N 0.657 120.394 119.914 -0.296 0.000 2.287 365 V HA -0.264 3.865 4.120 0.016 0.000 0.248 365 V C 2.445 178.214 176.094 -0.542 0.000 1.053 365 V CA 1.877 63.897 62.300 -0.467 0.000 1.027 365 V CB -0.457 30.873 31.823 -0.821 0.000 0.646 365 V HN 0.163 nan 8.190 nan 0.000 0.447 366 K N -0.180 119.808 120.400 -0.686 0.000 2.025 366 K HA -0.234 4.095 4.320 0.016 0.000 0.207 366 K C 2.358 178.780 176.600 -0.295 0.000 1.049 366 K CA 1.780 57.788 56.287 -0.464 0.000 0.933 366 K CB -0.203 32.034 32.500 -0.438 0.000 0.714 366 K HN 0.471 nan 8.250 nan 0.000 0.438 367 Q N 0.290 119.954 119.800 -0.227 0.000 2.170 367 Q HA -0.162 4.188 4.340 0.016 0.000 0.203 367 Q C 2.049 177.698 176.000 -0.585 0.000 0.976 367 Q CA 1.244 56.956 55.803 -0.153 0.000 0.858 367 Q CB -0.008 28.827 28.738 0.162 0.000 0.907 367 Q HN 0.343 nan 8.270 nan 0.000 0.433 368 L N -0.290 120.469 121.223 -0.773 0.000 2.109 368 L HA -0.053 4.296 4.340 0.016 0.000 0.207 368 L C 2.011 178.373 176.870 -0.846 0.000 1.086 368 L CA 1.860 55.962 54.840 -1.230 0.000 0.760 368 L CB -0.632 40.868 42.059 -0.931 0.000 0.910 368 L HN 0.042 nan 8.230 nan 0.000 0.437 369 T N -0.275 113.952 114.554 -0.545 0.000 2.867 369 T HA -0.143 4.217 4.350 0.016 0.000 0.268 369 T C 1.625 176.061 174.700 -0.442 0.000 1.057 369 T CA 1.714 63.569 62.100 -0.409 0.000 1.136 369 T CB -0.193 68.597 68.868 -0.130 0.000 0.874 369 T HN 0.500 nan 8.240 nan 0.000 0.466 370 E N 1.034 120.978 120.200 -0.427 0.000 2.152 370 E HA 0.053 4.412 4.350 0.016 0.000 0.192 370 E C 2.526 178.729 176.600 -0.662 0.000 0.983 370 E CA 0.741 56.932 56.400 -0.349 0.000 0.818 370 E CB -0.160 29.477 29.700 -0.106 0.000 0.758 370 E HN 0.454 nan 8.360 nan 0.000 0.467 371 A N 1.056 123.198 122.820 -1.132 0.000 1.933 371 A HA -0.147 4.182 4.320 0.016 0.000 0.218 371 A C 2.481 179.556 177.584 -0.849 0.000 1.175 371 A CA 1.090 52.257 52.037 -1.449 0.000 0.628 371 A CB -0.624 17.543 19.000 -1.388 0.000 0.814 371 A HN 0.115 nan 8.150 nan 0.000 0.444 372 V N -0.259 119.167 119.914 -0.812 0.000 2.343 372 V HA -0.271 3.858 4.120 0.016 0.000 0.247 372 V C 2.705 178.461 176.094 -0.563 0.000 1.051 372 V CA 2.301 64.071 62.300 -0.883 0.000 1.036 372 V CB -0.734 30.465 31.823 -1.040 0.000 0.654 372 V HN 0.654 nan 8.190 nan 0.000 0.451 373 Q N 0.451 120.001 119.800 -0.416 0.000 2.230 373 Q HA -0.157 4.192 4.340 0.016 0.000 0.202 373 Q C 2.163 178.073 176.000 -0.151 0.000 0.963 373 Q CA 1.717 57.383 55.803 -0.229 0.000 0.866 373 Q CB -0.352 28.295 28.738 -0.151 0.000 0.931 373 Q HN 0.692 nan 8.270 nan 0.000 0.452 374 K N -0.095 120.196 120.400 -0.181 0.000 1.984 374 K HA -0.109 4.220 4.320 0.016 0.000 0.209 374 K C 1.934 178.471 176.600 -0.104 0.000 1.046 374 K CA 1.446 57.692 56.287 -0.070 0.000 0.934 374 K CB -0.343 32.179 32.500 0.037 0.000 0.717 374 K HN 0.270 nan 8.250 nan 0.000 0.438 375 I N 1.558 122.006 120.570 -0.205 0.000 2.194 375 I HA -0.291 3.888 4.170 0.016 0.000 0.246 375 I C 2.236 178.350 176.117 -0.006 0.000 1.093 375 I CA 1.744 62.937 61.300 -0.179 0.000 1.355 375 I CB -0.677 37.229 38.000 -0.157 0.000 1.046 375 I HN 0.331 nan 8.210 nan 0.000 0.413 376 T N 0.049 114.630 114.554 0.045 0.000 2.720 376 T HA -0.172 4.188 4.350 0.016 0.000 0.268 376 T C 1.890 176.599 174.700 0.014 0.000 1.037 376 T CA 2.064 64.208 62.100 0.074 0.000 1.144 376 T CB -0.357 68.532 68.868 0.036 0.000 0.864 376 T HN 0.406 nan 8.240 nan 0.000 0.444 377 T N 1.362 115.907 114.554 -0.015 0.000 2.737 377 T HA -0.063 4.297 4.350 0.016 0.000 0.265 377 T C 1.905 176.576 174.700 -0.048 0.000 1.038 377 T CA 1.207 63.294 62.100 -0.020 0.000 1.144 377 T CB -0.221 68.639 68.868 -0.014 0.000 0.866 377 T HN 0.510 nan 8.240 nan 0.000 0.434 378 E N 0.881 121.044 120.200 -0.062 0.000 2.049 378 E HA -0.165 4.195 4.350 0.016 0.000 0.198 378 E C 2.381 178.857 176.600 -0.206 0.000 1.007 378 E CA 1.505 57.834 56.400 -0.119 0.000 0.809 378 E CB -0.074 29.569 29.700 -0.095 0.000 0.749 378 E HN 0.358 nan 8.360 nan 0.000 0.450 379 S N 0.677 116.317 115.700 -0.099 0.000 2.359 379 S HA -0.187 4.292 4.470 0.016 0.000 0.224 379 S C 2.012 176.574 174.600 -0.063 0.000 1.035 379 S CA 1.324 59.524 58.200 0.001 0.000 1.018 379 S CB -0.324 62.996 63.200 0.200 0.000 0.876 379 S HN 0.313 nan 8.310 nan 0.000 0.448 380 I N 1.122 121.670 120.570 -0.037 0.000 2.264 380 I HA -0.145 4.034 4.170 0.016 0.000 0.248 380 I C 2.152 178.212 176.117 -0.095 0.000 1.111 380 I CA 1.018 62.298 61.300 -0.034 0.000 1.382 380 I CB -0.467 37.528 38.000 -0.008 0.000 1.060 380 I HN 0.166 nan 8.210 nan 0.000 0.418 381 V N 0.962 120.793 119.914 -0.139 0.000 2.626 381 V HA -0.218 3.912 4.120 0.016 0.000 0.252 381 V C 2.055 177.990 176.094 -0.266 0.000 1.067 381 V CA 1.634 63.839 62.300 -0.158 0.000 1.081 381 V CB -0.109 31.634 31.823 -0.132 0.000 0.686 381 V HN 0.343 nan 8.190 nan 0.000 0.468 382 I N -2.341 117.938 120.570 -0.484 0.000 3.039 382 I HA -0.004 4.175 4.170 0.016 0.000 0.270 382 I C 1.654 177.272 176.117 -0.833 0.000 1.150 382 I CA 0.747 61.564 61.300 -0.806 0.000 1.448 382 I CB 0.007 37.123 38.000 -1.473 0.000 1.197 382 I HN 0.350 nan 8.210 nan 0.000 0.450 383 W N 0.937 122.046 121.300 -0.318 0.000 3.005 383 W HA 0.399 5.068 4.660 0.015 0.000 0.374 383 W C 1.427 177.789 176.519 -0.261 0.000 1.076 383 W CA 0.391 57.435 57.345 -0.503 0.000 1.794 383 W CB -0.306 28.684 29.460 -0.783 0.000 1.113 383 W HN 0.332 nan 8.180 nan 0.000 0.584 384 G N 2.273 111.068 108.800 -0.009 0.000 2.196 384 G HA2 -0.337 3.632 3.960 0.016 0.000 0.268 384 G HA3 -0.337 3.632 3.960 0.016 0.000 0.268 384 G C 0.345 175.280 174.900 0.058 0.000 0.975 384 G CA 1.323 46.440 45.100 0.028 0.000 0.648 384 G HN 0.382 nan 8.290 nan 0.000 0.538 385 K N -1.012 119.437 120.400 0.081 0.000 2.509 385 K HA 0.712 5.042 4.320 0.016 0.000 0.266 385 K C -0.331 176.299 176.600 0.051 0.000 0.987 385 K CA -0.373 55.953 56.287 0.065 0.000 0.868 385 K CB 1.167 33.708 32.500 0.068 0.000 1.421 385 K HN 0.344 nan 8.250 nan 0.000 0.444 386 T N -0.185 114.380 114.554 0.018 0.000 2.845 386 T HA 0.441 4.800 4.350 0.016 0.000 0.288 386 T C -2.046 172.581 174.700 -0.121 0.000 0.980 386 T CA -1.471 60.620 62.100 -0.015 0.000 1.071 386 T CB 0.928 69.813 68.868 0.028 0.000 0.941 386 T HN 0.498 nan 8.240 nan 0.000 0.487 387 P HA 0.389 nan 4.420 nan 0.000 0.279 387 P C -0.989 175.976 177.300 -0.559 0.000 1.252 387 P CA -0.898 61.914 63.100 -0.480 0.000 0.811 387 P CB 0.977 32.277 31.700 -0.668 0.000 1.035 388 K N 1.427 121.562 120.400 -0.442 0.000 2.297 388 K HA 0.352 4.681 4.320 0.016 0.000 0.286 388 K C -0.231 176.129 176.600 -0.400 0.000 1.053 388 K CA -0.110 55.999 56.287 -0.296 0.000 0.940 388 K CB 0.052 32.435 32.500 -0.195 0.000 1.019 388 K HN 0.311 nan 8.250 nan 0.000 0.475 389 F N 2.013 121.890 119.950 -0.121 0.000 2.377 389 F HA 0.302 4.837 4.527 0.013 0.000 0.328 389 F C 0.712 176.499 175.800 -0.022 0.000 1.094 389 F CA -0.352 57.583 58.000 -0.108 0.000 1.093 389 F CB 1.096 40.013 39.000 -0.138 0.000 1.214 389 F HN 0.124 nan 8.300 nan 0.000 0.518 390 K N 4.724 125.233 120.400 0.182 0.000 2.604 390 K HA 0.504 4.834 4.320 0.016 0.000 0.247 390 K C -1.475 175.234 176.600 0.182 0.000 0.956 390 K CA -0.416 55.965 56.287 0.157 0.000 0.896 390 K CB 1.774 34.309 32.500 0.059 0.000 1.131 390 K HN 0.504 nan 8.250 nan 0.000 0.440 391 L N 3.236 124.605 121.223 0.244 0.000 2.342 391 L HA 0.524 4.873 4.340 0.016 0.000 0.271 391 L C -2.017 175.031 176.870 0.296 0.000 1.008 391 L CA -2.228 52.706 54.840 0.157 0.000 0.818 391 L CB 1.874 43.857 42.059 -0.127 0.000 1.296 391 L HN 0.339 nan 8.230 nan 0.000 0.427 392 P HA 0.232 nan 4.420 nan 0.000 0.220 392 P C -0.628 176.898 177.300 0.377 0.000 1.778 392 P CA 0.370 63.693 63.100 0.372 0.000 0.912 392 P CB 0.362 32.219 31.700 0.263 0.000 1.861 393 I N -0.534 120.279 120.570 0.404 0.000 2.894 393 I HA 0.301 4.480 4.170 0.016 0.000 0.302 393 I C -1.174 174.993 176.117 0.082 0.000 1.188 393 I CA -1.082 60.297 61.300 0.131 0.000 1.014 393 I CB 3.009 40.978 38.000 -0.052 0.000 1.242 393 I HN -0.142 nan 8.210 nan 0.000 0.430 394 Q N 5.380 125.092 119.800 -0.147 0.000 2.245 394 Q HA 0.359 4.709 4.340 0.016 0.000 0.256 394 Q C 0.348 176.516 176.000 0.280 0.000 0.942 394 Q CA -0.970 54.714 55.803 -0.199 0.000 0.896 394 Q CB 1.997 30.455 28.738 -0.468 0.000 1.272 394 Q HN 0.477 nan 8.270 nan 0.000 0.442 395 K N 2.061 122.681 120.400 0.366 0.000 2.052 395 K HA -0.322 4.007 4.320 0.016 0.000 0.215 395 K C 1.726 178.574 176.600 0.413 0.000 1.053 395 K CA 2.471 59.037 56.287 0.464 0.000 0.934 395 K CB -0.256 32.312 32.500 0.113 0.000 0.717 395 K HN 0.831 nan 8.250 nan 0.000 0.450 396 E N 0.975 121.306 120.200 0.218 0.000 2.097 396 E HA -0.190 4.169 4.350 0.016 0.000 0.196 396 E C 1.798 178.516 176.600 0.196 0.000 1.000 396 E CA 2.137 58.643 56.400 0.176 0.000 0.804 396 E CB -0.459 29.290 29.700 0.082 0.000 0.740 396 E HN 0.214 nan 8.360 nan 0.000 0.454 397 T N -0.125 114.534 114.554 0.176 0.000 2.674 397 T HA -0.192 4.168 4.350 0.016 0.000 0.265 397 T C 1.131 175.984 174.700 0.255 0.000 1.039 397 T CA 1.374 63.569 62.100 0.159 0.000 1.150 397 T CB -0.680 68.245 68.868 0.095 0.000 0.864 397 T HN 0.424 nan 8.240 nan 0.000 0.427 398 W N 1.848 123.242 121.300 0.157 0.000 2.332 398 W HA -0.156 4.511 4.660 0.011 0.000 0.321 398 W C 2.480 179.229 176.519 0.383 0.000 1.219 398 W CA 1.641 59.101 57.345 0.191 0.000 1.277 398 W CB -0.516 29.019 29.460 0.126 0.000 1.161 398 W HN 0.316 nan 8.180 nan 0.000 0.476 399 E N -1.090 119.507 120.200 0.662 0.000 2.147 399 E HA -0.271 4.089 4.350 0.016 0.000 0.199 399 E C 2.059 178.792 176.600 0.222 0.000 1.005 399 E CA 2.345 59.141 56.400 0.660 0.000 0.810 399 E CB -0.321 29.722 29.700 0.572 0.000 0.736 399 E HN 0.186 nan 8.360 nan 0.000 0.460 400 T N 0.152 114.805 114.554 0.165 0.000 2.701 400 T HA -0.175 4.184 4.350 0.016 0.000 0.263 400 T C 1.180 175.899 174.700 0.031 0.000 1.040 400 T CA 1.239 63.374 62.100 0.060 0.000 1.147 400 T CB -0.424 68.493 68.868 0.080 0.000 0.865 400 T HN 0.470 nan 8.240 nan 0.000 0.426 401 W N 0.681 121.922 121.300 -0.099 0.000 2.363 401 W HA -0.142 4.531 4.660 0.021 0.000 0.296 401 W C 1.984 178.412 176.519 -0.153 0.000 1.212 401 W CA 1.034 58.283 57.345 -0.159 0.000 1.260 401 W CB -0.682 28.636 29.460 -0.237 0.000 1.131 401 W HN 0.386 nan 8.180 nan 0.000 0.530 402 W N 2.613 123.687 121.300 -0.376 0.000 2.194 402 W HA -0.290 4.378 4.660 0.013 0.000 0.323 402 W C 2.409 178.710 176.519 -0.363 0.000 1.222 402 W CA 3.761 60.795 57.345 -0.518 0.000 1.136 402 W CB -1.163 27.878 29.460 -0.698 0.000 1.162 402 W HN -0.210 nan 8.180 nan 0.000 0.466 403 T N 1.575 115.825 114.554 -0.506 0.000 2.848 403 T HA -0.301 4.058 4.350 0.016 0.000 0.269 403 T C 1.221 175.727 174.700 -0.322 0.000 1.081 403 T CA 1.951 63.686 62.100 -0.609 0.000 1.125 403 T CB -0.580 67.873 68.868 -0.692 0.000 0.848 403 T HN 0.672 nan 8.240 nan 0.000 0.503 404 E N -0.530 119.486 120.200 -0.306 0.000 2.463 404 E HA 0.066 4.425 4.350 0.016 0.000 0.193 404 E C -0.165 176.246 176.600 -0.315 0.000 1.041 404 E CA -0.547 55.689 56.400 -0.274 0.000 0.879 404 E CB 0.050 29.603 29.700 -0.245 0.000 0.997 404 E HN 0.494 nan 8.360 nan 0.000 0.478 405 Y N 2.426 122.384 120.300 -0.571 0.000 2.328 405 Y HA 0.139 4.701 4.550 0.019 0.000 0.337 405 Y C 0.978 176.645 175.900 -0.388 0.000 0.966 405 Y CA -2.294 55.422 58.100 -0.640 0.000 1.136 405 Y CB 0.614 38.479 38.460 -0.992 0.000 1.170 405 Y HN 0.167 nan 8.280 nan 0.000 0.470 406 W N 3.231 124.227 121.300 -0.508 0.000 2.292 406 W HA -0.235 4.435 4.660 0.017 0.000 0.304 406 W C -0.208 176.051 176.519 -0.433 0.000 1.228 406 W CA 0.921 58.010 57.345 -0.427 0.000 1.241 406 W CB -0.723 28.511 29.460 -0.377 0.000 1.142 406 W HN 0.560 nan 8.180 nan 0.000 0.520 407 Q N 1.491 120.300 119.800 -1.653 0.000 2.314 407 Q HA 0.446 4.795 4.340 0.016 0.000 0.258 407 Q C 0.059 175.792 176.000 -0.444 0.000 0.954 407 Q CA -0.241 54.878 55.803 -1.138 0.000 0.890 407 Q CB 1.208 28.873 28.738 -1.789 0.000 1.210 407 Q HN 0.121 nan 8.270 nan 0.000 0.410 408 A N 3.109 125.829 122.820 -0.167 0.000 2.388 408 A HA 0.460 4.789 4.320 0.016 0.000 0.257 408 A C -0.102 177.492 177.584 0.017 0.000 1.095 408 A CA 0.112 52.141 52.037 -0.014 0.000 0.791 408 A CB 1.104 20.122 19.000 0.031 0.000 1.029 408 A HN 0.687 nan 8.150 nan 0.000 0.489 409 T N 1.943 116.544 114.554 0.078 0.000 2.821 409 T HA 0.622 4.981 4.350 0.016 0.000 0.306 409 T C -2.064 172.763 174.700 0.211 0.000 1.313 409 T CA -0.413 61.751 62.100 0.106 0.000 1.012 409 T CB 1.183 70.096 68.868 0.075 0.000 1.298 409 T HN 1.157 nan 8.240 nan 0.000 0.502 410 W N 5.104 126.406 121.300 0.003 0.000 3.827 410 W HA 0.501 5.172 4.660 0.019 0.000 0.307 410 W C -2.647 173.829 176.519 -0.073 0.000 1.204 410 W CA -0.940 56.398 57.345 -0.012 0.000 1.250 410 W CB 0.815 30.251 29.460 -0.039 0.000 1.281 410 W HN 0.636 nan 8.180 nan 0.000 0.494 411 I N 8.163 128.173 120.570 -0.934 0.000 2.354 411 I HA 0.227 4.406 4.170 0.016 0.000 0.292 411 I C -1.367 173.837 176.117 -1.522 0.000 0.989 411 I CA -1.948 58.648 61.300 -1.173 0.000 1.188 411 I CB 1.756 38.959 38.000 -1.328 0.000 1.342 411 I HN 0.179 nan 8.210 nan 0.000 0.457 412 P HA -0.174 nan 4.420 nan 0.000 0.222 412 P C -0.328 176.752 177.300 -0.367 0.000 1.242 412 P CA 0.443 63.221 63.100 -0.537 0.000 0.833 412 P CB 0.261 31.898 31.700 -0.105 0.000 0.639 413 E N 0.106 120.263 120.200 -0.072 0.000 2.109 413 E HA 0.222 4.582 4.350 0.016 0.000 0.278 413 E C -1.064 175.595 176.600 0.097 0.000 0.954 413 E CA -0.604 55.777 56.400 -0.031 0.000 0.779 413 E CB 0.305 29.994 29.700 -0.019 0.000 1.093 413 E HN 0.300 nan 8.360 nan 0.000 0.401 414 W N 3.884 125.070 121.300 -0.191 0.000 3.127 414 W HA 0.515 5.180 4.660 0.009 0.000 0.330 414 W C -1.429 175.034 176.519 -0.094 0.000 1.187 414 W CA -1.013 56.250 57.345 -0.137 0.000 1.198 414 W CB 0.495 29.809 29.460 -0.243 0.000 1.408 414 W HN 0.480 nan 8.180 nan 0.000 0.529 415 E N 2.894 123.141 120.200 0.078 0.000 2.187 415 E HA 0.350 4.710 4.350 0.016 0.000 0.268 415 E C -1.508 175.214 176.600 0.203 0.000 0.896 415 E CA -0.841 55.527 56.400 -0.053 0.000 0.766 415 E CB 1.893 31.574 29.700 -0.031 0.000 1.142 415 E HN 0.279 nan 8.360 nan 0.000 0.408 416 F N 4.966 124.904 119.950 -0.020 0.000 2.529 416 F HA 0.280 4.806 4.527 -0.003 0.000 0.365 416 F C -1.001 174.875 175.800 0.126 0.000 1.102 416 F CA -0.307 57.805 58.000 0.187 0.000 1.271 416 F CB 1.071 40.147 39.000 0.126 0.000 1.120 416 F HN 0.178 nan 8.300 nan 0.000 0.579 417 V N 7.965 127.585 119.914 -0.491 0.000 2.409 417 V HA 0.250 4.379 4.120 0.016 0.000 0.290 417 V C -0.377 175.226 176.094 -0.818 0.000 1.017 417 V CA -0.846 61.135 62.300 -0.533 0.000 0.841 417 V CB 0.993 32.758 31.823 -0.097 0.000 1.003 417 V HN 0.834 nan 8.190 nan 0.000 0.426 418 N N 4.694 122.820 118.700 -0.957 0.000 2.670 418 N HA 0.082 4.832 4.740 0.016 0.000 0.296 418 N C -0.406 175.034 175.510 -0.117 0.000 1.216 418 N CA 0.269 53.044 53.050 -0.458 0.000 1.123 418 N CB 0.074 38.438 38.487 -0.206 0.000 1.459 418 N HN 0.708 nan 8.380 nan 0.000 0.509 419 T N 3.857 118.398 114.554 -0.022 0.000 2.991 419 T HA 0.311 4.670 4.350 0.016 0.000 0.347 419 T C -2.524 172.226 174.700 0.083 0.000 1.122 419 T CA -1.111 61.011 62.100 0.037 0.000 1.062 419 T CB 1.624 70.525 68.868 0.056 0.000 1.043 419 T HN 0.266 nan 8.240 nan 0.000 0.491 420 P HA 0.120 nan 4.420 nan 0.000 0.266 420 P C -2.157 175.180 177.300 0.062 0.000 1.186 420 P CA -0.828 62.316 63.100 0.074 0.000 0.767 420 P CB -0.130 31.600 31.700 0.051 0.000 0.820 421 P HA 0.234 nan 4.420 nan 0.000 0.279 421 P C -0.966 176.396 177.300 0.104 0.000 1.252 421 P CA -0.175 62.963 63.100 0.063 0.000 0.811 421 P CB 0.844 32.570 31.700 0.044 0.000 1.035 422 L N 1.818 123.104 121.223 0.104 0.000 2.275 422 L HA 0.295 4.644 4.340 0.016 0.000 0.288 422 L C 0.875 177.805 176.870 0.100 0.000 1.046 422 L CA -1.338 53.589 54.840 0.146 0.000 0.805 422 L CB 1.363 43.517 42.059 0.158 0.000 1.193 422 L HN 0.225 nan 8.230 nan 0.000 0.426 423 V N 1.837 121.839 119.914 0.145 0.000 2.763 423 V HA 0.305 4.434 4.120 0.016 0.000 0.306 423 V C -0.013 176.117 176.094 0.059 0.000 1.059 423 V CA -0.143 62.245 62.300 0.147 0.000 1.138 423 V CB 0.464 32.411 31.823 0.205 0.000 0.940 423 V HN 0.994 nan 8.190 nan 0.000 0.489 424 K N 4.034 124.462 120.400 0.047 0.000 2.428 424 K HA 0.761 5.090 4.320 0.016 0.000 0.279 424 K C -1.527 175.085 176.600 0.019 0.000 1.041 424 K CA -1.172 55.089 56.287 -0.044 0.000 0.887 424 K CB 1.785 34.163 32.500 -0.204 0.000 1.535 424 K HN 0.512 nan 8.250 nan 0.000 0.417 425 L N 2.027 123.238 121.223 -0.022 0.000 2.295 425 L HA 0.346 4.695 4.340 0.016 0.000 0.281 425 L C -0.383 176.531 176.870 0.074 0.000 1.018 425 L CA -0.689 54.176 54.840 0.041 0.000 0.841 425 L CB 0.506 42.569 42.059 0.006 0.000 1.218 425 L HN 0.669 nan 8.230 nan 0.000 0.424 426 W N 3.155 124.430 121.300 -0.042 0.000 2.721 426 W HA -0.021 4.655 4.660 0.026 0.000 0.245 426 W C 0.306 176.946 176.519 0.201 0.000 1.276 426 W CA -0.097 57.298 57.345 0.082 0.000 1.342 426 W CB -0.713 28.832 29.460 0.141 0.000 1.135 426 W HN 0.491 nan 8.180 nan 0.000 0.654 427 Y N -1.618 118.823 120.300 0.234 0.000 2.732 427 Y HA 0.438 4.996 4.550 0.013 0.000 0.342 427 Y C -1.319 174.663 175.900 0.136 0.000 1.203 427 Y CA -2.447 55.746 58.100 0.154 0.000 1.092 427 Y CB 0.250 38.794 38.460 0.139 0.000 1.345 427 Y HN 0.023 nan 8.280 nan 0.000 0.458 428 Q N 2.501 122.462 119.800 0.267 0.000 2.271 428 Q HA 0.660 5.009 4.340 0.016 0.000 0.268 428 Q C -1.892 174.250 176.000 0.237 0.000 1.021 428 Q CA -0.985 54.920 55.803 0.169 0.000 0.802 428 Q CB 2.772 31.568 28.738 0.098 0.000 1.282 428 Q HN 0.781 nan 8.270 nan 0.000 0.431 429 L N 2.059 123.416 121.223 0.224 0.000 2.461 429 L HA 0.153 4.503 4.340 0.016 0.000 0.272 429 L C 0.554 177.521 176.870 0.163 0.000 1.197 429 L CA -0.300 54.649 54.840 0.181 0.000 0.836 429 L CB 0.364 42.499 42.059 0.127 0.000 1.105 429 L HN 0.600 nan 8.230 nan 0.000 0.477 430 E N 1.941 122.263 120.200 0.204 0.000 2.360 430 E HA -0.008 4.351 4.350 0.016 0.000 0.269 430 E C 0.390 177.178 176.600 0.314 0.000 1.022 430 E CA -0.175 56.360 56.400 0.225 0.000 0.887 430 E CB 1.233 31.070 29.700 0.229 0.000 0.990 430 E HN 0.310 nan 8.360 nan 0.000 0.426 431 K N 1.433 121.948 120.400 0.191 0.000 2.155 431 K HA -0.052 4.278 4.320 0.016 0.000 0.203 431 K C 0.179 176.901 176.600 0.204 0.000 1.052 431 K CA 1.168 57.569 56.287 0.190 0.000 0.948 431 K CB 0.382 32.935 32.500 0.088 0.000 0.728 431 K HN 0.331 nan 8.250 nan 0.000 0.448 432 E N 0.391 120.593 120.200 0.004 0.000 2.266 432 E HA 0.273 4.633 4.350 0.016 0.000 0.268 432 E C -2.605 173.569 176.600 -0.709 0.000 0.879 432 E CA -2.625 53.585 56.400 -0.317 0.000 0.762 432 E CB 1.358 30.957 29.700 -0.169 0.000 1.199 432 E HN -0.028 nan 8.360 nan 0.000 0.422 433 P HA 0.063 nan 4.420 nan 0.000 0.266 433 P C -0.071 177.024 177.300 -0.342 0.000 1.193 433 P CA 0.222 62.717 63.100 -1.009 0.000 0.770 433 P CB 0.651 31.940 31.700 -0.686 0.000 0.836 434 I N 2.013 122.501 120.570 -0.137 0.000 2.325 434 I HA 0.129 4.308 4.170 0.016 0.000 0.291 434 I C 0.502 176.601 176.117 -0.030 0.000 1.019 434 I CA -0.970 60.302 61.300 -0.048 0.000 1.302 434 I CB 1.029 39.039 38.000 0.017 0.000 1.401 434 I HN 0.036 nan 8.210 nan 0.000 0.485 435 V N 5.765 125.660 119.914 -0.031 0.000 2.530 435 V HA 0.452 4.581 4.120 0.016 0.000 0.282 435 V C 1.195 177.288 176.094 -0.001 0.000 1.048 435 V CA 0.483 62.773 62.300 -0.017 0.000 0.997 435 V CB 0.518 32.329 31.823 -0.020 0.000 0.987 435 V HN 1.155 nan 8.190 nan 0.000 0.477 436 G N 3.343 112.147 108.800 0.007 0.000 2.241 436 G HA2 -0.118 3.851 3.960 0.016 0.000 0.244 436 G HA3 -0.118 3.851 3.960 0.016 0.000 0.244 436 G C 0.406 175.320 174.900 0.024 0.000 0.998 436 G CA 0.145 45.253 45.100 0.013 0.000 0.621 436 G HN 1.522 nan 8.290 nan 0.000 0.519 437 A N 0.524 123.362 122.820 0.030 0.000 2.328 437 A HA 0.682 5.012 4.320 0.016 0.000 0.284 437 A C 0.426 178.049 177.584 0.064 0.000 1.160 437 A CA 0.591 52.659 52.037 0.052 0.000 0.818 437 A CB 0.590 19.625 19.000 0.057 0.000 1.087 437 A HN 0.647 nan 8.150 nan 0.000 0.504 438 E N 1.053 121.305 120.200 0.086 0.000 2.425 438 E HA 0.226 4.585 4.350 0.016 0.000 0.258 438 E C -0.665 175.995 176.600 0.100 0.000 1.151 438 E CA 0.324 56.759 56.400 0.059 0.000 0.958 438 E CB 0.453 30.177 29.700 0.040 0.000 0.968 438 E HN 0.544 nan 8.360 nan 0.000 0.451 439 T N 3.254 117.807 114.554 -0.002 0.000 2.809 439 T HA 0.389 4.748 4.350 0.016 0.000 0.284 439 T C -1.199 173.469 174.700 -0.054 0.000 0.992 439 T CA -0.460 61.663 62.100 0.038 0.000 0.957 439 T CB 0.155 69.047 68.868 0.041 0.000 0.942 439 T HN 0.229 nan 8.240 nan 0.000 0.439 440 F N 2.412 122.293 119.950 -0.114 0.000 2.436 440 F HA 0.517 5.054 4.527 0.017 0.000 0.340 440 F C -0.361 175.350 175.800 -0.148 0.000 1.113 440 F CA -1.209 56.754 58.000 -0.063 0.000 1.022 440 F CB 1.011 39.894 39.000 -0.194 0.000 1.128 440 F HN 0.491 nan 8.300 nan 0.000 0.466 441 Y N 2.874 123.307 120.300 0.221 0.000 2.402 441 Y HA 0.509 5.068 4.550 0.016 0.000 0.332 441 Y C 0.081 176.104 175.900 0.205 0.000 0.960 441 Y CA -1.177 57.016 58.100 0.154 0.000 1.228 441 Y CB 1.247 39.757 38.460 0.084 0.000 1.120 441 Y HN 0.442 nan 8.280 nan 0.000 0.491 442 V N -0.151 119.920 119.914 0.262 0.000 2.966 442 V HA 0.825 4.954 4.120 0.016 0.000 0.317 442 V C -0.670 175.530 176.094 0.177 0.000 1.070 442 V CA -0.311 62.136 62.300 0.245 0.000 1.008 442 V CB 2.139 34.074 31.823 0.187 0.000 1.070 442 V HN 0.714 nan 8.190 nan 0.000 0.457 456 G N 0.147 109.000 108.800 0.087 0.000 2.342 456 G HA2 0.750 4.720 3.960 0.016 0.000 0.297 456 G HA3 0.750 4.720 3.960 0.016 0.000 0.297 456 G C -1.345 173.656 174.900 0.168 0.000 1.313 456 G CA 0.355 45.491 45.100 0.060 0.000 0.830 456 G HN 1.945 nan 8.290 nan 0.000 0.506 457 Y N -2.361 118.009 120.300 0.116 0.000 2.670 457 Y HA 0.844 5.403 4.550 0.016 0.000 0.334 457 Y C -1.275 174.709 175.900 0.140 0.000 1.185 457 Y CA -1.689 56.512 58.100 0.169 0.000 1.053 457 Y CB 1.451 40.074 38.460 0.271 0.000 1.298 457 Y HN 0.770 nan 8.280 nan 0.000 0.459 458 V N 1.650 121.838 119.914 0.456 0.000 2.808 458 V HA 0.676 4.806 4.120 0.016 0.000 0.308 458 V C -0.445 175.807 176.094 0.264 0.000 1.099 458 V CA -0.199 62.251 62.300 0.251 0.000 0.920 458 V CB 1.942 33.821 31.823 0.095 0.000 1.014 458 V HN 1.142 nan 8.190 nan 0.000 0.425 459 T N -0.531 114.059 114.554 0.060 0.000 2.950 459 T HA 0.311 4.671 4.350 0.016 0.000 0.288 459 T C 1.089 175.760 174.700 -0.050 0.000 1.035 459 T CA -0.284 61.723 62.100 -0.155 0.000 1.028 459 T CB 1.506 69.997 68.868 -0.629 0.000 1.109 459 T HN 0.708 nan 8.240 nan 0.000 0.514 460 N N 1.686 120.377 118.700 -0.016 0.000 2.205 460 N HA -0.182 4.568 4.740 0.016 0.000 0.186 460 N C 1.114 176.602 175.510 -0.036 0.000 1.015 460 N CA 0.937 53.993 53.050 0.010 0.000 0.862 460 N CB -0.424 38.092 38.487 0.048 0.000 0.986 460 N HN 0.686 nan 8.380 nan 0.000 0.429 461 R N -0.118 120.336 120.500 -0.077 0.000 2.423 461 R HA 0.184 4.534 4.340 0.016 0.000 0.248 461 R C 0.920 177.191 176.300 -0.050 0.000 1.019 461 R CA 0.397 56.461 56.100 -0.061 0.000 1.119 461 R CB -0.197 30.062 30.300 -0.069 0.000 1.176 461 R HN 0.472 nan 8.270 nan 0.000 0.526 462 G N 1.434 110.207 108.800 -0.046 0.000 2.304 462 G HA2 -0.355 3.614 3.960 0.016 0.000 0.252 462 G HA3 -0.355 3.614 3.960 0.016 0.000 0.252 462 G C 0.253 175.139 174.900 -0.022 0.000 1.014 462 G CA -0.103 44.977 45.100 -0.032 0.000 0.619 462 G HN 0.342 nan 8.290 nan 0.000 0.525 463 R N 1.088 121.579 120.500 -0.015 0.000 2.643 463 R HA 0.466 4.815 4.340 0.016 0.000 0.270 463 R C 0.531 176.863 176.300 0.053 0.000 1.061 463 R CA 0.876 57.000 56.100 0.040 0.000 1.107 463 R CB 0.251 30.612 30.300 0.101 0.000 0.999 463 R HN 0.756 nan 8.270 nan 0.000 0.460 464 Q N 0.770 120.539 119.800 -0.052 0.000 2.426 464 Q HA 0.463 4.813 4.340 0.016 0.000 0.278 464 Q C -1.651 174.078 176.000 -0.451 0.000 1.007 464 Q CA -1.171 54.439 55.803 -0.322 0.000 0.850 464 Q CB 2.562 31.188 28.738 -0.187 0.000 1.427 464 Q HN 0.521 nan 8.270 nan 0.000 0.391 465 K N 1.520 121.431 120.400 -0.815 0.000 2.535 465 K HA 0.604 4.933 4.320 0.016 0.000 0.251 465 K C -1.879 174.521 176.600 -0.332 0.000 0.942 465 K CA -0.588 55.416 56.287 -0.473 0.000 0.798 465 K CB 2.514 34.799 32.500 -0.358 0.000 1.267 465 K HN 0.544 nan 8.250 nan 0.000 0.434 466 V N 3.664 123.484 119.914 -0.156 0.000 2.769 466 V HA 0.626 4.755 4.120 0.016 0.000 0.312 466 V C -0.652 175.420 176.094 -0.036 0.000 1.061 466 V CA -0.772 61.480 62.300 -0.080 0.000 0.931 466 V CB 1.726 33.513 31.823 -0.060 0.000 1.010 466 V HN 0.617 nan 8.190 nan 0.000 0.433 467 V N 0.288 120.199 119.914 -0.004 0.000 2.888 467 V HA 0.740 4.869 4.120 0.016 0.000 0.309 467 V C -0.169 175.938 176.094 0.020 0.000 1.114 467 V CA -0.609 61.699 62.300 0.013 0.000 0.940 467 V CB 1.836 33.678 31.823 0.031 0.000 1.021 467 V HN 0.938 nan 8.190 nan 0.000 0.426 468 T N 2.302 116.867 114.554 0.018 0.000 2.723 468 T HA 0.682 5.041 4.350 0.016 0.000 0.297 468 T C -0.512 174.204 174.700 0.027 0.000 0.925 468 T CA -0.266 61.846 62.100 0.019 0.000 1.030 468 T CB 0.515 69.391 68.868 0.014 0.000 0.905 468 T HN 0.583 nan 8.240 nan 0.000 0.502 469 L N 4.637 125.878 121.223 0.031 0.000 2.275 469 L HA 0.487 4.836 4.340 0.016 0.000 0.288 469 L C 0.951 177.837 176.870 0.027 0.000 1.046 469 L CA -0.050 54.811 54.840 0.035 0.000 0.805 469 L CB 1.578 43.663 42.059 0.043 0.000 1.193 469 L HN 0.946 nan 8.230 nan 0.000 0.426 470 T N -1.617 112.953 114.554 0.026 0.000 2.824 470 T HA 0.567 4.927 4.350 0.016 0.000 0.280 470 T C 0.239 174.951 174.700 0.020 0.000 0.995 470 T CA -0.419 61.693 62.100 0.020 0.000 1.009 470 T CB 1.641 70.520 68.868 0.018 0.000 0.955 470 T HN 0.676 nan 8.240 nan 0.000 0.452 471 D N -0.871 119.538 120.400 0.016 0.000 2.304 471 D HA -0.211 4.438 4.640 0.016 0.000 0.162 471 D C 0.686 176.995 176.300 0.015 0.000 1.458 471 D CA 2.303 56.311 54.000 0.014 0.000 1.334 471 D CB -1.713 39.095 40.800 0.014 0.000 1.250 471 D HN 0.941 nan 8.370 nan 0.000 0.458 472 T N -0.072 114.495 114.554 0.021 0.000 2.701 472 T HA 0.249 4.608 4.350 0.016 0.000 0.354 472 T C 0.489 175.199 174.700 0.016 0.000 1.085 472 T CA 1.255 63.368 62.100 0.023 0.000 1.094 472 T CB 0.400 69.287 68.868 0.032 0.000 1.010 472 T HN 0.366 nan 8.240 nan 0.000 0.548 473 T N 1.693 116.255 114.554 0.013 0.000 2.942 473 T HA 0.423 4.782 4.350 0.016 0.000 0.289 473 T C 1.364 176.061 174.700 -0.005 0.000 1.044 473 T CA -1.104 60.995 62.100 -0.002 0.000 1.023 473 T CB 1.165 70.024 68.868 -0.014 0.000 1.123 473 T HN 0.582 nan 8.240 nan 0.000 0.512 474 N N 0.886 119.574 118.700 -0.020 0.000 2.049 474 N HA -0.210 4.540 4.740 0.016 0.000 0.198 474 N C 1.861 177.360 175.510 -0.019 0.000 1.030 474 N CA 1.918 54.956 53.050 -0.019 0.000 0.870 474 N CB -0.439 38.026 38.487 -0.035 0.000 1.045 474 N HN 0.698 nan 8.380 nan 0.000 0.434 475 Q N 0.201 119.947 119.800 -0.090 0.000 2.079 475 Q HA -0.013 4.336 4.340 0.016 0.000 0.200 475 Q C 1.884 177.939 176.000 0.092 0.000 0.974 475 Q CA 0.739 56.476 55.803 -0.111 0.000 0.840 475 Q CB -0.034 28.346 28.738 -0.596 0.000 0.898 475 Q HN 0.180 nan 8.270 nan 0.000 0.430 476 K N 0.416 120.854 120.400 0.063 0.000 2.360 476 K HA -0.078 4.252 4.320 0.016 0.000 0.201 476 K C 1.461 178.114 176.600 0.088 0.000 1.046 476 K CA 1.022 57.365 56.287 0.094 0.000 0.945 476 K CB 0.067 32.602 32.500 0.059 0.000 0.750 476 K HN 0.159 nan 8.250 nan 0.000 0.464 477 T N 0.398 114.999 114.554 0.078 0.000 3.009 477 T HA 0.006 4.365 4.350 0.016 0.000 0.258 477 T C 1.380 176.142 174.700 0.103 0.000 1.063 477 T CA 0.652 62.800 62.100 0.080 0.000 1.139 477 T CB 0.151 69.056 68.868 0.063 0.000 0.890 477 T HN 0.361 nan 8.240 nan 0.000 0.471 478 E N 0.795 121.068 120.200 0.121 0.000 2.110 478 E HA -0.065 4.294 4.350 0.016 0.000 0.193 478 E C 1.781 178.459 176.600 0.131 0.000 0.988 478 E CA 0.875 57.361 56.400 0.142 0.000 0.804 478 E CB -0.124 29.691 29.700 0.192 0.000 0.745 478 E HN 0.270 nan 8.360 nan 0.000 0.458 479 L N 0.837 122.138 121.223 0.130 0.000 2.179 479 L HA -0.136 4.213 4.340 0.016 0.000 0.208 479 L C 2.340 179.272 176.870 0.104 0.000 1.096 479 L CA 1.240 56.129 54.840 0.082 0.000 0.779 479 L CB -0.418 41.670 42.059 0.048 0.000 0.922 479 L HN 0.043 nan 8.230 nan 0.000 0.443 480 Q N -0.241 119.632 119.800 0.121 0.000 2.020 480 Q HA -0.188 4.162 4.340 0.016 0.000 0.202 480 Q C 2.412 178.519 176.000 0.178 0.000 0.982 480 Q CA 1.817 57.721 55.803 0.167 0.000 0.838 480 Q CB -0.462 28.356 28.738 0.133 0.000 0.899 480 Q HN 0.518 nan 8.270 nan 0.000 0.423 481 A N 1.361 124.267 122.820 0.144 0.000 1.859 481 A HA -0.241 4.088 4.320 0.016 0.000 0.218 481 A C 2.176 179.835 177.584 0.125 0.000 1.209 481 A CA 1.869 53.997 52.037 0.153 0.000 0.639 481 A CB -1.081 18.007 19.000 0.146 0.000 0.835 481 A HN 0.379 nan 8.150 nan 0.000 0.450 482 I N -1.991 118.634 120.570 0.092 0.000 2.145 482 I HA -0.328 3.851 4.170 0.016 0.000 0.244 482 I C 2.517 178.649 176.117 0.026 0.000 1.075 482 I CA 2.187 63.504 61.300 0.027 0.000 1.332 482 I CB -0.546 37.466 38.000 0.021 0.000 1.033 482 I HN 0.572 nan 8.210 nan 0.000 0.410 483 Y N 1.483 121.748 120.300 -0.058 0.000 2.097 483 Y HA -0.280 4.279 4.550 0.015 0.000 0.282 483 Y C 2.411 178.265 175.900 -0.077 0.000 1.152 483 Y CA 1.435 59.492 58.100 -0.072 0.000 1.136 483 Y CB -0.725 37.713 38.460 -0.036 0.000 0.975 483 Y HN 0.034 nan 8.280 nan 0.000 0.498 484 L N -0.445 120.736 121.223 -0.070 0.000 1.997 484 L HA -0.353 3.996 4.340 0.016 0.000 0.216 484 L C 2.620 179.354 176.870 -0.227 0.000 1.074 484 L CA 1.747 56.516 54.840 -0.119 0.000 0.763 484 L CB -0.995 41.143 42.059 0.131 0.000 0.890 484 L HN 0.426 nan 8.230 nan 0.000 0.434 485 A N -0.057 122.584 122.820 -0.299 0.000 1.849 485 A HA -0.278 4.051 4.320 0.016 0.000 0.217 485 A C 2.139 179.228 177.584 -0.825 0.000 1.202 485 A CA 2.057 53.616 52.037 -0.796 0.000 0.629 485 A CB -1.049 17.552 19.000 -0.665 0.000 0.834 485 A HN 0.445 nan 8.150 nan 0.000 0.447 486 L N -1.151 119.764 121.223 -0.514 0.000 2.021 486 L HA -0.351 3.998 4.340 0.016 0.000 0.215 486 L C 2.920 179.581 176.870 -0.348 0.000 1.074 486 L CA 2.195 56.804 54.840 -0.385 0.000 0.760 486 L CB -0.639 41.298 42.059 -0.204 0.000 0.889 486 L HN 0.608 nan 8.230 nan 0.000 0.433 487 Q N 0.181 119.758 119.800 -0.373 0.000 1.967 487 Q HA -0.271 4.078 4.340 0.016 0.000 0.210 487 Q C 1.768 177.635 176.000 -0.221 0.000 1.005 487 Q CA 2.517 58.126 55.803 -0.323 0.000 0.862 487 Q CB -0.053 28.429 28.738 -0.427 0.000 0.939 487 Q HN 0.435 nan 8.270 nan 0.000 0.417 488 D N 0.175 120.447 120.400 -0.214 0.000 2.218 488 D HA -0.060 4.589 4.640 0.016 0.000 0.204 488 D C 0.452 176.715 176.300 -0.062 0.000 0.976 488 D CA 0.938 54.888 54.000 -0.082 0.000 0.853 488 D CB -0.349 40.484 40.800 0.056 0.000 0.939 488 D HN 0.291 nan 8.370 nan 0.000 0.481 489 S N -0.058 115.492 115.700 -0.250 0.000 2.585 489 S HA 0.480 4.960 4.470 0.016 0.000 0.273 489 S C 0.910 175.483 174.600 -0.046 0.000 1.339 489 S CA -0.560 57.565 58.200 -0.125 0.000 1.028 489 S CB 1.539 64.473 63.200 -0.444 0.000 0.906 489 S HN 0.168 nan 8.310 nan 0.000 0.528 490 G N 0.182 109.002 108.800 0.033 0.000 2.570 490 G HA2 0.349 4.319 3.960 0.016 0.000 0.276 490 G HA3 0.349 4.319 3.960 0.016 0.000 0.276 490 G C 0.619 175.519 174.900 0.001 0.000 1.346 490 G CA -0.736 44.377 45.100 0.022 0.000 1.034 490 G HN 0.575 nan 8.290 nan 0.000 0.512 491 L N -0.639 120.589 121.223 0.009 0.000 2.187 491 L HA 0.026 4.375 4.340 0.016 0.000 0.213 491 L C 1.477 178.353 176.870 0.010 0.000 1.100 491 L CA 1.451 56.294 54.840 0.006 0.000 0.765 491 L CB -0.442 41.626 42.059 0.015 0.000 0.904 491 L HN 0.476 nan 8.230 nan 0.000 0.437 492 E N -1.009 119.204 120.200 0.022 0.000 2.165 492 E HA 0.553 4.913 4.350 0.016 0.000 0.266 492 E C -1.238 175.388 176.600 0.044 0.000 0.889 492 E CA -0.388 56.031 56.400 0.032 0.000 0.756 492 E CB 2.134 31.856 29.700 0.038 0.000 1.131 492 E HN -0.174 nan 8.360 nan 0.000 0.411 493 V N 2.319 122.254 119.914 0.035 0.000 2.962 493 V HA 0.461 4.591 4.120 0.016 0.000 0.313 493 V C -0.487 175.655 176.094 0.080 0.000 1.099 493 V CA -1.201 61.128 62.300 0.049 0.000 0.971 493 V CB 2.277 34.053 31.823 -0.079 0.000 1.028 493 V HN 0.579 nan 8.190 nan 0.000 0.430 494 N N 2.215 120.990 118.700 0.126 0.000 2.342 494 N HA 0.718 5.467 4.740 0.016 0.000 0.293 494 N C -1.306 174.253 175.510 0.081 0.000 1.026 494 N CA -0.283 52.852 53.050 0.141 0.000 0.857 494 N CB 2.349 40.916 38.487 0.133 0.000 1.256 494 N HN 0.638 nan 8.380 nan 0.000 0.484 495 I N 1.707 122.282 120.570 0.008 0.000 2.499 495 I HA 0.356 4.535 4.170 0.016 0.000 0.288 495 I C -0.604 175.447 176.117 -0.112 0.000 1.048 495 I CA -0.947 60.316 61.300 -0.061 0.000 1.062 495 I CB 2.194 40.136 38.000 -0.096 0.000 1.238 495 I HN -0.034 nan 8.210 nan 0.000 0.426 496 V N 4.607 124.411 119.914 -0.184 0.000 2.459 496 V HA 0.644 4.773 4.120 0.016 0.000 0.295 496 V C -0.027 176.026 176.094 -0.067 0.000 1.029 496 V CA -0.305 61.884 62.300 -0.184 0.000 0.874 496 V CB 1.872 33.448 31.823 -0.411 0.000 0.985 496 V HN 0.825 nan 8.190 nan 0.000 0.438 497 T N 1.121 115.667 114.554 -0.014 0.000 2.841 497 T HA 0.403 4.762 4.350 0.016 0.000 0.296 497 T C -0.191 174.519 174.700 0.016 0.000 1.166 497 T CA -0.125 62.005 62.100 0.050 0.000 1.007 497 T CB 1.995 70.924 68.868 0.102 0.000 1.253 497 T HN 0.838 nan 8.240 nan 0.000 0.511 498 D N 0.130 120.572 120.400 0.070 0.000 2.454 498 D HA 0.145 4.794 4.640 0.016 0.000 0.214 498 D C 0.861 177.461 176.300 0.500 0.000 1.088 498 D CA -0.015 54.004 54.000 0.031 0.000 0.855 498 D CB -0.260 40.537 40.800 -0.005 0.000 1.025 498 D HN 0.331 nan 8.370 nan 0.000 0.502 499 S N 0.550 116.468 115.700 0.365 0.000 2.506 499 S HA -0.003 4.476 4.470 0.016 0.000 0.291 499 S C 1.095 175.888 174.600 0.322 0.000 1.230 499 S CA -0.213 58.183 58.200 0.328 0.000 1.107 499 S CB 0.587 63.940 63.200 0.255 0.000 0.942 499 S HN 0.143 nan 8.310 nan 0.000 0.502 500 Q N 3.736 123.645 119.800 0.182 0.000 2.119 500 Q HA -0.128 4.221 4.340 0.016 0.000 0.201 500 Q C 1.354 177.334 176.000 -0.034 0.000 0.972 500 Q CA 1.623 57.321 55.803 -0.176 0.000 0.847 500 Q CB -0.289 28.243 28.738 -0.344 0.000 0.903 500 Q HN 0.996 nan 8.270 nan 0.000 0.433 501 Y N 1.577 121.852 120.300 -0.043 0.000 1.993 501 Y HA -0.377 4.183 4.550 0.017 0.000 0.267 501 Y C 2.311 178.207 175.900 -0.007 0.000 1.155 501 Y CA 1.939 60.028 58.100 -0.019 0.000 1.105 501 Y CB -0.831 37.636 38.460 0.013 0.000 0.960 501 Y HN 0.077 nan 8.280 nan 0.000 0.486 502 A N 0.336 123.053 122.820 -0.171 0.000 1.917 502 A HA -0.256 4.073 4.320 0.016 0.000 0.219 502 A C 2.293 179.768 177.584 -0.181 0.000 1.182 502 A CA 2.060 53.938 52.037 -0.264 0.000 0.633 502 A CB -1.470 17.520 19.000 -0.015 0.000 0.819 502 A HN 0.671 nan 8.150 nan 0.000 0.448 503 L N 0.013 121.192 121.223 -0.072 0.000 2.012 503 L HA -0.091 4.258 4.340 0.016 0.000 0.210 503 L C 2.425 179.242 176.870 -0.088 0.000 1.073 503 L CA 2.547 57.352 54.840 -0.057 0.000 0.748 503 L CB -1.054 40.989 42.059 -0.028 0.000 0.891 503 L HN 0.312 nan 8.230 nan 0.000 0.431 504 G N -0.241 108.485 108.800 -0.124 0.000 2.459 504 G HA2 -0.271 3.698 3.960 0.016 0.000 0.217 504 G HA3 -0.271 3.698 3.960 0.016 0.000 0.217 504 G C 1.633 176.505 174.900 -0.046 0.000 1.183 504 G CA 1.213 46.259 45.100 -0.090 0.000 0.776 504 G HN 0.488 nan 8.290 nan 0.000 0.552 505 I N 0.585 121.058 120.570 -0.161 0.000 2.151 505 I HA -0.225 3.955 4.170 0.016 0.000 0.243 505 I C 2.670 178.741 176.117 -0.077 0.000 1.080 505 I CA 1.255 62.445 61.300 -0.185 0.000 1.339 505 I CB -0.211 37.507 38.000 -0.471 0.000 1.039 505 I HN 0.176 nan 8.210 nan 0.000 0.409 506 I N -0.350 120.177 120.570 -0.073 0.000 2.500 506 I HA -0.207 3.972 4.170 0.016 0.000 0.252 506 I C 2.496 178.671 176.117 0.097 0.000 1.142 506 I CA 0.853 62.164 61.300 0.018 0.000 1.451 506 I CB -0.373 37.612 38.000 -0.024 0.000 1.093 506 I HN 0.287 nan 8.210 nan 0.000 0.430 507 Q N 0.871 120.704 119.800 0.055 0.000 2.170 507 Q HA -0.138 4.211 4.340 0.016 0.000 0.203 507 Q C 2.227 178.308 176.000 0.135 0.000 0.976 507 Q CA 1.490 57.338 55.803 0.075 0.000 0.858 507 Q CB -0.139 28.620 28.738 0.035 0.000 0.907 507 Q HN 0.547 nan 8.270 nan 0.000 0.433 508 A N 0.422 123.356 122.820 0.189 0.000 2.239 508 A HA -0.116 4.213 4.320 0.016 0.000 0.209 508 A C 0.471 178.263 177.584 0.346 0.000 1.171 508 A CA 0.224 52.443 52.037 0.303 0.000 0.768 508 A CB -0.233 18.987 19.000 0.367 0.000 0.790 508 A HN 0.424 nan 8.150 nan 0.000 0.478 509 Q N -1.078 118.880 119.800 0.262 0.000 2.423 509 Q HA -0.145 4.204 4.340 0.016 0.000 0.332 509 Q C -2.194 173.879 176.000 0.121 0.000 1.355 509 Q CA 0.465 56.385 55.803 0.195 0.000 0.947 509 Q CB -1.248 27.535 28.738 0.075 0.000 1.189 509 Q HN 0.612 nan 8.270 nan 0.000 0.418 510 P HA -0.008 nan 4.420 nan 0.000 0.272 510 P C -0.219 177.133 177.300 0.086 0.000 1.230 510 P CA 0.367 63.523 63.100 0.093 0.000 0.788 510 P CB 0.825 32.594 31.700 0.116 0.000 0.949 511 D N -0.968 119.424 120.400 -0.013 0.000 2.540 511 D HA 0.097 4.747 4.640 0.016 0.000 0.229 511 D C 0.080 176.294 176.300 -0.144 0.000 1.250 511 D CA -0.132 53.812 54.000 -0.092 0.000 0.817 511 D CB 0.108 40.787 40.800 -0.202 0.000 1.060 511 D HN 0.535 nan 8.370 nan 0.000 0.508 512 Q N -1.863 117.902 119.800 -0.058 0.000 2.545 512 Q HA 0.594 4.943 4.340 0.016 0.000 0.273 512 Q C -1.733 174.281 176.000 0.022 0.000 0.975 512 Q CA -0.952 54.821 55.803 -0.051 0.000 0.876 512 Q CB 1.601 30.307 28.738 -0.054 0.000 1.472 512 Q HN -0.034 nan 8.270 nan 0.000 0.389 513 S N -0.205 115.510 115.700 0.025 0.000 2.552 513 S HA 0.218 4.697 4.470 0.016 0.000 0.272 513 S C -0.294 174.336 174.600 0.050 0.000 1.150 513 S CA -0.208 58.049 58.200 0.095 0.000 0.849 513 S CB 2.022 65.331 63.200 0.181 0.000 1.113 513 S HN 0.837 nan 8.310 nan 0.000 0.458 514 E N 1.760 121.990 120.200 0.050 0.000 2.204 514 E HA 0.078 4.437 4.350 0.016 0.000 0.194 514 E C 0.535 177.152 176.600 0.029 0.000 0.989 514 E CA 0.880 57.292 56.400 0.019 0.000 0.824 514 E CB 0.127 29.827 29.700 0.000 0.000 0.756 514 E HN 0.404 nan 8.360 nan 0.000 0.477 515 S N -0.007 115.732 115.700 0.065 0.000 2.489 515 S HA 0.054 4.533 4.470 0.016 0.000 0.277 515 S C 0.857 175.454 174.600 -0.005 0.000 1.230 515 S CA -0.376 57.851 58.200 0.044 0.000 1.053 515 S CB 0.986 64.238 63.200 0.087 0.000 0.955 515 S HN 0.353 nan 8.310 nan 0.000 0.488 516 E N 4.351 124.533 120.200 -0.030 0.000 2.077 516 E HA -0.130 4.229 4.350 0.016 0.000 0.193 516 E C 1.761 178.284 176.600 -0.129 0.000 0.989 516 E CA 0.872 57.232 56.400 -0.067 0.000 0.800 516 E CB -0.097 29.569 29.700 -0.057 0.000 0.746 516 E HN 0.831 nan 8.360 nan 0.000 0.452 517 L N 0.671 121.815 121.223 -0.131 0.000 1.963 517 L HA -0.271 4.079 4.340 0.016 0.000 0.220 517 L C 2.561 179.264 176.870 -0.279 0.000 1.076 517 L CA 1.750 56.452 54.840 -0.230 0.000 0.772 517 L CB -0.507 41.475 42.059 -0.130 0.000 0.892 517 L HN 0.141 nan 8.230 nan 0.000 0.435 518 V N 0.253 120.069 119.914 -0.163 0.000 2.370 518 V HA -0.356 3.773 4.120 0.016 0.000 0.252 518 V C 2.235 178.232 176.094 -0.161 0.000 1.068 518 V CA 2.139 64.342 62.300 -0.161 0.000 1.061 518 V CB -0.842 30.910 31.823 -0.119 0.000 0.656 518 V HN 0.535 nan 8.190 nan 0.000 0.455 519 N N -0.352 118.262 118.700 -0.143 0.000 2.216 519 N HA -0.167 4.583 4.740 0.016 0.000 0.183 519 N C 1.948 177.358 175.510 -0.167 0.000 1.017 519 N CA 1.319 54.289 53.050 -0.133 0.000 0.861 519 N CB -0.122 38.302 38.487 -0.105 0.000 0.986 519 N HN 0.620 nan 8.380 nan 0.000 0.428 520 Q N 0.878 120.528 119.800 -0.249 0.000 2.061 520 Q HA -0.079 4.270 4.340 0.016 0.000 0.204 520 Q C 2.221 178.102 176.000 -0.199 0.000 0.984 520 Q CA 1.137 56.772 55.803 -0.280 0.000 0.846 520 Q CB -0.109 28.244 28.738 -0.642 0.000 0.902 520 Q HN 0.384 nan 8.270 nan 0.000 0.421 521 I N 0.605 120.990 120.570 -0.308 0.000 2.127 521 I HA -0.325 3.855 4.170 0.016 0.000 0.241 521 I C 2.249 178.291 176.117 -0.125 0.000 1.075 521 I CA 1.281 62.515 61.300 -0.110 0.000 1.334 521 I CB -0.422 37.495 38.000 -0.139 0.000 1.040 521 I HN 0.230 nan 8.210 nan 0.000 0.405 522 I N 0.426 120.904 120.570 -0.153 0.000 2.236 522 I HA -0.311 3.868 4.170 0.016 0.000 0.249 522 I C 2.614 178.643 176.117 -0.147 0.000 1.102 522 I CA 1.328 62.533 61.300 -0.158 0.000 1.365 522 I CB -0.536 37.416 38.000 -0.081 0.000 1.051 522 I HN 0.313 nan 8.210 nan 0.000 0.420 523 E N 0.530 120.671 120.200 -0.100 0.000 2.031 523 E HA -0.224 4.136 4.350 0.016 0.000 0.193 523 E C 2.196 178.773 176.600 -0.038 0.000 0.994 523 E CA 1.111 57.478 56.400 -0.054 0.000 0.800 523 E CB -0.395 29.289 29.700 -0.026 0.000 0.752 523 E HN 0.490 nan 8.360 nan 0.000 0.447 524 Q N 0.605 120.392 119.800 -0.021 0.000 2.062 524 Q HA -0.171 4.178 4.340 0.016 0.000 0.209 524 Q C 2.623 178.562 176.000 -0.101 0.000 0.996 524 Q CA 1.160 56.944 55.803 -0.032 0.000 0.859 524 Q CB -0.790 27.948 28.738 -0.000 0.000 0.920 524 Q HN 0.334 nan 8.270 nan 0.000 0.415 525 L N 0.129 121.224 121.223 -0.213 0.000 2.013 525 L HA -0.243 4.107 4.340 0.016 0.000 0.212 525 L C 2.485 179.220 176.870 -0.225 0.000 1.073 525 L CA 1.175 55.790 54.840 -0.374 0.000 0.753 525 L CB -0.605 40.912 42.059 -0.902 0.000 0.890 525 L HN 0.208 nan 8.230 nan 0.000 0.432 526 I N -0.500 120.009 120.570 -0.102 0.000 2.208 526 I HA -0.281 3.898 4.170 0.016 0.000 0.245 526 I C 2.463 178.647 176.117 0.111 0.000 1.097 526 I CA 1.121 62.505 61.300 0.140 0.000 1.363 526 I CB -0.426 37.718 38.000 0.239 0.000 1.051 526 I HN 0.245 nan 8.210 nan 0.000 0.413 527 K N 1.065 121.496 120.400 0.052 0.000 2.148 527 K HA -0.000 4.329 4.320 0.016 0.000 0.204 527 K C 0.802 177.419 176.600 0.028 0.000 1.050 527 K CA 0.736 57.050 56.287 0.045 0.000 0.942 527 K CB -0.415 32.100 32.500 0.025 0.000 0.724 527 K HN 0.255 nan 8.250 nan 0.000 0.446 528 K N 1.549 121.951 120.400 0.003 0.000 2.336 528 K HA -0.027 4.302 4.320 0.016 0.000 0.262 528 K C 1.264 177.885 176.600 0.034 0.000 0.992 528 K CA 0.167 56.455 56.287 0.002 0.000 0.927 528 K CB 0.509 32.993 32.500 -0.027 0.000 0.956 528 K HN -0.013 nan 8.250 nan 0.000 0.495 529 E N 1.363 121.582 120.200 0.032 0.000 2.102 529 E HA 0.014 4.374 4.350 0.016 0.000 0.190 529 E C -0.215 176.418 176.600 0.055 0.000 0.971 529 E CA 1.132 57.558 56.400 0.043 0.000 0.821 529 E CB 0.379 30.100 29.700 0.034 0.000 0.777 529 E HN 0.380 nan 8.360 nan 0.000 0.460 530 K N -0.068 120.362 120.400 0.050 0.000 2.550 530 K HA 0.439 4.769 4.320 0.016 0.000 0.252 530 K C -1.458 175.180 176.600 0.064 0.000 0.943 530 K CA -0.342 55.985 56.287 0.067 0.000 0.806 530 K CB 3.071 35.608 32.500 0.063 0.000 1.289 530 K HN -0.237 nan 8.250 nan 0.000 0.435 531 V N 2.981 122.945 119.914 0.084 0.000 2.577 531 V HA 0.342 4.471 4.120 0.016 0.000 0.303 531 V C -1.577 174.598 176.094 0.135 0.000 1.042 531 V CA -0.880 61.461 62.300 0.069 0.000 0.872 531 V CB 1.579 33.399 31.823 -0.005 0.000 0.998 531 V HN 0.702 nan 8.190 nan 0.000 0.423 532 Y N 5.666 125.970 120.300 0.006 0.000 2.328 532 Y HA 0.760 5.319 4.550 0.015 0.000 0.336 532 Y C -0.968 174.934 175.900 0.002 0.000 0.960 532 Y CA -1.058 57.050 58.100 0.014 0.000 1.134 532 Y CB 1.718 40.184 38.460 0.012 0.000 1.166 532 Y HN 0.594 nan 8.280 nan 0.000 0.464 533 L N 6.177 127.060 121.223 -0.566 0.000 2.313 533 L HA 0.920 5.270 4.340 0.016 0.000 0.283 533 L C -1.110 175.391 176.870 -0.615 0.000 1.013 533 L CA -0.437 54.155 54.840 -0.414 0.000 0.816 533 L CB 0.997 42.933 42.059 -0.205 0.000 1.236 533 L HN 0.728 nan 8.230 nan 0.000 0.419 534 A N 4.163 126.777 122.820 -0.342 0.000 2.423 534 A HA 0.753 5.082 4.320 0.016 0.000 0.304 534 A C -2.047 175.567 177.584 0.050 0.000 1.104 534 A CA -0.571 51.370 52.037 -0.160 0.000 0.757 534 A CB 0.973 19.958 19.000 -0.024 0.000 1.313 534 A HN 0.813 nan 8.150 nan 0.000 0.423 535 W N 1.435 122.699 121.300 -0.059 0.000 2.781 535 W HA 0.644 5.313 4.660 0.015 0.000 0.345 535 W C -1.123 175.407 176.519 0.018 0.000 1.085 535 W CA -0.384 56.950 57.345 -0.019 0.000 1.198 535 W CB 1.943 31.391 29.460 -0.021 0.000 1.423 535 W HN 1.064 nan 8.180 nan 0.000 0.532 536 V N 2.691 121.844 119.914 -1.268 0.000 3.048 536 V HA 0.638 4.767 4.120 0.016 0.000 0.303 536 V C -2.771 172.403 176.094 -1.533 0.000 1.214 536 V CA -2.574 58.988 62.300 -1.230 0.000 0.984 536 V CB 1.272 32.826 31.823 -0.447 0.000 1.054 536 V HN 0.533 nan 8.190 nan 0.000 0.430 537 P HA 0.000 nan 4.420 nan 0.000 0.216 537 P CA 0.000 62.801 63.100 -0.499 0.000 0.800 537 P CB 0.000 31.570 31.700 -0.216 0.000 0.726