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 1rt7_1_A DATA FIRST_RESID 4 DATA SEQUENCE PIETVPVKLK PGMDGPKVKQ WPLTEEKIKA LVEICTEMEK EGKISKIGPE DATA SEQUENCE NPYNTPVFAI KKKDSTKWRK LVDFRELNKR TQDFWEVQLG IPHPAGLKKK DATA SEQUENCE KSVTVLDVGD AYFSVPLDED FRKYTAFTIP SINNETPGIR YQYNVLPQGW DATA SEQUENCE KGSPAIFQSS MTKILEPFRK QNPDIVIYQY MDDLYVGSDL EIGQHRTKIE DATA SEQUENCE ELRQHLLRWG 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 GAANRETKLG DATA SEQUENCE KAGYVTNRGR QKVVTLTDTT NQKTELQAIY LALQDSGLEV NIVTDSQYAL DATA SEQUENCE GIIQAQPDQS ESELVNQIIE QLIKKEKVYL AWVPAH 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 0.000 177.448 177.300 0.246 0.000 1.155 4 P CA 0.000 63.191 63.100 0.151 0.000 0.800 4 P CB 0.000 31.756 31.700 0.093 0.000 0.726 5 I N 0.064 120.747 120.570 0.189 0.000 2.493 5 I HA 0.337 4.520 4.170 0.022 0.000 0.298 5 I C 0.495 176.659 176.117 0.079 0.000 0.998 5 I CA -0.999 60.387 61.300 0.142 0.000 1.137 5 I CB 2.240 40.270 38.000 0.051 0.000 1.310 5 I HN -0.050 nan 8.210 nan 0.000 0.445 6 E N 4.594 124.829 120.200 0.058 0.000 2.406 6 E HA 0.065 4.428 4.350 0.022 0.000 0.258 6 E C -0.250 176.368 176.600 0.030 0.000 1.043 6 E CA -0.128 56.299 56.400 0.045 0.000 0.929 6 E CB 0.309 30.032 29.700 0.038 0.000 0.969 6 E HN 0.613 nan 8.360 nan 0.000 0.462 7 T N 0.838 115.418 114.554 0.043 0.000 2.855 7 T HA 0.173 4.536 4.350 0.022 0.000 0.322 7 T C 0.358 175.085 174.700 0.044 0.000 1.088 7 T CA -0.837 61.290 62.100 0.045 0.000 1.104 7 T CB 0.820 69.721 68.868 0.055 0.000 0.996 7 T HN 0.189 nan 8.240 nan 0.000 0.549 8 V N 4.216 124.161 119.914 0.051 0.000 2.532 8 V HA 0.408 4.541 4.120 0.022 0.000 0.295 8 V C -1.864 174.279 176.094 0.080 0.000 1.041 8 V CA -2.127 60.209 62.300 0.061 0.000 0.926 8 V CB 1.492 33.353 31.823 0.064 0.000 0.992 8 V HN 0.879 nan 8.190 nan 0.000 0.457 9 P HA 0.179 nan 4.420 nan 0.000 0.274 9 P C -0.836 176.523 177.300 0.098 0.000 1.291 9 P CA 0.137 63.288 63.100 0.084 0.000 0.815 9 P CB 0.788 32.528 31.700 0.065 0.000 0.897 10 V N 5.332 125.306 119.914 0.101 0.000 2.483 10 V HA 0.436 4.569 4.120 0.022 0.000 0.295 10 V C 0.524 176.707 176.094 0.148 0.000 1.035 10 V CA -0.428 61.910 62.300 0.064 0.000 0.896 10 V CB 1.937 33.667 31.823 -0.155 0.000 0.986 10 V HN 0.450 nan 8.190 nan 0.000 0.447 11 K N 3.563 124.026 120.400 0.104 0.000 2.444 11 K HA 0.647 4.980 4.320 0.022 0.000 0.252 11 K C -1.433 175.250 176.600 0.139 0.000 0.993 11 K CA -0.962 55.420 56.287 0.158 0.000 0.847 11 K CB 2.680 35.218 32.500 0.064 0.000 1.340 11 K HN 0.393 nan 8.250 nan 0.000 0.446 12 L N 2.915 124.184 121.223 0.077 0.000 2.281 12 L HA 0.091 4.444 4.340 0.022 0.000 0.285 12 L C 1.068 177.921 176.870 -0.028 0.000 1.074 12 L CA 0.064 54.892 54.840 -0.019 0.000 0.817 12 L CB 0.809 42.749 42.059 -0.198 0.000 1.168 12 L HN 0.746 nan 8.230 nan 0.000 0.434 13 K N 3.207 123.587 120.400 -0.034 0.000 5.240 13 K HA -0.264 4.069 4.320 0.022 0.000 0.296 13 K C -1.704 174.868 176.600 -0.046 0.000 0.663 13 K CA 2.016 58.278 56.287 -0.043 0.000 1.051 13 K CB -2.173 30.310 32.500 -0.027 0.000 0.767 13 K HN 0.634 nan 8.250 nan 0.000 0.850 14 P HA -0.161 nan 4.420 nan 0.000 0.250 14 P C -0.141 177.153 177.300 -0.011 0.000 1.063 14 P CA 1.582 64.673 63.100 -0.015 0.000 0.754 14 P CB -0.463 31.230 31.700 -0.011 0.000 0.628 15 G N 3.031 111.829 108.800 -0.003 0.000 2.286 15 G HA2 -0.112 3.861 3.960 0.022 0.000 0.296 15 G HA3 -0.112 3.861 3.960 0.022 0.000 0.296 15 G C 0.526 175.429 174.900 0.005 0.000 0.511 15 G CA 0.293 45.396 45.100 0.005 0.000 1.791 15 G HN 0.438 nan 8.290 nan 0.000 0.473 16 M N -0.340 119.253 119.600 -0.012 0.000 2.356 16 M HA 0.509 5.002 4.480 0.022 0.000 0.219 16 M C 0.068 176.363 176.300 -0.009 0.000 1.004 16 M CA -0.678 54.618 55.300 -0.007 0.000 1.427 16 M CB 0.818 33.405 32.600 -0.021 0.000 1.197 16 M HN 0.209 nan 8.290 nan 0.000 0.739 17 D N -1.054 119.346 120.400 -0.000 0.000 2.581 17 D HA 0.473 5.126 4.640 0.022 0.000 0.232 17 D C -0.756 175.523 176.300 -0.034 0.000 1.143 17 D CA -0.249 53.782 54.000 0.053 0.000 0.881 17 D CB 1.641 42.547 40.800 0.176 0.000 1.500 17 D HN 0.630 nan 8.370 nan 0.000 0.458 18 G N 1.370 110.101 108.800 -0.115 0.000 2.554 18 G HA2 0.341 4.313 3.960 0.022 0.000 0.238 18 G HA3 0.341 4.313 3.960 0.022 0.000 0.238 18 G C -2.150 172.864 174.900 0.190 0.000 1.259 18 G CA -0.842 44.094 45.100 -0.273 0.000 0.843 18 G HN 0.439 nan 8.290 nan 0.000 0.582 19 P HA 0.123 nan 4.420 nan 0.000 0.267 19 P C -0.575 176.893 177.300 0.281 0.000 1.200 19 P CA 0.190 63.411 63.100 0.202 0.000 0.772 19 P CB 0.858 32.665 31.700 0.179 0.000 0.855 20 K N 0.926 121.443 120.400 0.196 0.000 3.012 20 K HA 0.227 4.560 4.320 0.022 0.000 0.207 20 K C -0.161 176.503 176.600 0.107 0.000 1.130 20 K CA -0.462 55.912 56.287 0.146 0.000 1.021 20 K CB 1.076 33.636 32.500 0.100 0.000 0.736 20 K HN 0.197 nan 8.250 nan 0.000 0.448 21 V N 2.491 122.478 119.914 0.122 0.000 2.614 21 V HA 0.122 4.254 4.120 0.022 0.000 0.291 21 V C -0.014 176.138 176.094 0.096 0.000 1.049 21 V CA -0.498 61.868 62.300 0.110 0.000 1.038 21 V CB 0.409 32.310 31.823 0.129 0.000 0.980 21 V HN 0.292 nan 8.190 nan 0.000 0.481 22 K N 4.840 125.290 120.400 0.084 0.000 2.258 22 K HA 0.197 4.530 4.320 0.022 0.000 0.264 22 K C -0.259 176.390 176.600 0.082 0.000 1.007 22 K CA -0.446 55.881 56.287 0.066 0.000 0.941 22 K CB 0.461 32.986 32.500 0.041 0.000 0.966 22 K HN 0.712 nan 8.250 nan 0.000 0.480 23 Q N 2.591 122.426 119.800 0.059 0.000 2.296 23 Q HA 0.020 4.373 4.340 0.022 0.000 0.263 23 Q C -1.006 175.058 176.000 0.106 0.000 1.026 23 Q CA -0.132 55.707 55.803 0.059 0.000 0.912 23 Q CB 0.392 29.152 28.738 0.036 0.000 1.198 23 Q HN 0.605 nan 8.270 nan 0.000 0.407 24 W N 7.661 128.904 121.300 -0.096 0.000 2.314 24 W HA 0.087 4.760 4.660 0.022 0.000 0.339 24 W C -2.218 174.286 176.519 -0.024 0.000 1.293 24 W CA -1.232 56.098 57.345 -0.025 0.000 1.288 24 W CB 0.624 30.088 29.460 0.008 0.000 1.186 24 W HN 0.564 nan 8.180 nan 0.000 0.566 25 P HA 0.202 nan 4.420 nan 0.000 0.282 25 P C -0.713 176.682 177.300 0.158 0.000 1.262 25 P CA 0.294 63.420 63.100 0.044 0.000 0.773 25 P CB 1.289 32.949 31.700 -0.066 0.000 0.879 26 L N 2.047 123.339 121.223 0.115 0.000 2.235 26 L HA 0.573 4.926 4.340 0.022 0.000 0.260 26 L C 1.173 178.068 176.870 0.042 0.000 1.025 26 L CA -0.880 54.020 54.840 0.101 0.000 0.836 26 L CB 1.968 44.059 42.059 0.052 0.000 1.395 26 L HN 0.341 nan 8.230 nan 0.000 0.443 27 T N -3.844 110.722 114.554 0.021 0.000 2.902 27 T HA 0.171 4.533 4.350 0.022 0.000 0.280 27 T C 0.867 175.559 174.700 -0.014 0.000 0.992 27 T CA -0.430 61.678 62.100 0.013 0.000 1.015 27 T CB 1.346 70.234 68.868 0.035 0.000 1.044 27 T HN 0.803 nan 8.240 nan 0.000 0.520 28 E N 0.490 120.691 120.200 0.001 0.000 2.130 28 E HA -0.310 4.053 4.350 0.022 0.000 0.196 28 E C 1.740 178.331 176.600 -0.016 0.000 0.998 28 E CA 1.656 58.054 56.400 -0.003 0.000 0.806 28 E CB -0.236 29.471 29.700 0.013 0.000 0.738 28 E HN 0.876 nan 8.360 nan 0.000 0.459 29 E N 1.541 121.739 120.200 -0.003 0.000 2.006 29 E HA -0.208 4.155 4.350 0.022 0.000 0.192 29 E C 2.039 178.525 176.600 -0.189 0.000 0.993 29 E CA 1.330 57.733 56.400 0.004 0.000 0.808 29 E CB 0.042 29.817 29.700 0.124 0.000 0.764 29 E HN 0.198 nan 8.360 nan 0.000 0.449 30 K N 0.173 120.384 120.400 -0.315 0.000 2.160 30 K HA -0.157 4.176 4.320 0.022 0.000 0.206 30 K C 2.209 178.577 176.600 -0.387 0.000 1.047 30 K CA 1.469 57.384 56.287 -0.621 0.000 0.930 30 K CB -0.175 32.057 32.500 -0.446 0.000 0.720 30 K HN 0.288 nan 8.250 nan 0.000 0.450 31 I N 0.776 121.229 120.570 -0.195 0.000 2.163 31 I HA -0.248 3.935 4.170 0.022 0.000 0.240 31 I C 2.230 178.292 176.117 -0.091 0.000 1.081 31 I CA 1.000 62.235 61.300 -0.107 0.000 1.353 31 I CB -0.132 37.839 38.000 -0.049 0.000 1.054 31 I HN -0.024 nan 8.210 nan 0.000 0.407 32 K N 1.189 121.543 120.400 -0.076 0.000 2.160 32 K HA -0.142 4.191 4.320 0.022 0.000 0.206 32 K C 1.972 178.549 176.600 -0.039 0.000 1.047 32 K CA 1.566 57.833 56.287 -0.034 0.000 0.930 32 K CB -0.501 31.997 32.500 -0.003 0.000 0.720 32 K HN 0.375 nan 8.250 nan 0.000 0.450 33 A N 0.054 122.805 122.820 -0.116 0.000 1.854 33 A HA -0.064 4.269 4.320 0.022 0.000 0.214 33 A C 2.171 179.716 177.584 -0.065 0.000 1.192 33 A CA 1.194 53.180 52.037 -0.085 0.000 0.611 33 A CB -0.623 18.218 19.000 -0.266 0.000 0.832 33 A HN 0.236 nan 8.150 nan 0.000 0.442 34 L N -0.286 120.868 121.223 -0.114 0.000 2.079 34 L HA -0.173 4.180 4.340 0.022 0.000 0.210 34 L C 2.512 179.381 176.870 -0.002 0.000 1.081 34 L CA 0.941 55.745 54.840 -0.060 0.000 0.752 34 L CB -0.462 41.557 42.059 -0.066 0.000 0.896 34 L HN 0.248 nan 8.230 nan 0.000 0.433 35 V N -0.258 119.662 119.914 0.011 0.000 2.332 35 V HA -0.313 3.820 4.120 0.022 0.000 0.248 35 V C 2.471 178.588 176.094 0.039 0.000 1.055 35 V CA 2.041 64.372 62.300 0.052 0.000 1.038 35 V CB -0.375 31.471 31.823 0.038 0.000 0.651 35 V HN 0.445 nan 8.190 nan 0.000 0.450 36 E N 0.485 120.697 120.200 0.019 0.000 2.007 36 E HA -0.198 4.165 4.350 0.022 0.000 0.194 36 E C 1.997 178.597 176.600 -0.001 0.000 0.999 36 E CA 1.843 58.254 56.400 0.018 0.000 0.811 36 E CB -0.382 29.336 29.700 0.029 0.000 0.762 36 E HN 0.556 nan 8.360 nan 0.000 0.450 37 I N 0.168 120.730 120.570 -0.012 0.000 2.248 37 I HA -0.374 3.809 4.170 0.022 0.000 0.248 37 I C 2.307 178.371 176.117 -0.088 0.000 1.107 37 I CA 0.974 62.248 61.300 -0.043 0.000 1.373 37 I CB -0.288 37.686 38.000 -0.043 0.000 1.055 37 I HN 0.324 nan 8.210 nan 0.000 0.418 38 C N 0.024 119.264 119.300 -0.099 0.000 2.446 38 C HA -0.088 4.385 4.460 0.022 0.000 0.279 38 C C 2.949 177.814 174.990 -0.209 0.000 1.366 38 C CA 1.124 60.002 59.018 -0.234 0.000 1.763 38 C CB -1.131 26.441 27.740 -0.280 0.000 1.929 38 C HN 0.509 nan 8.230 nan 0.000 0.509 39 T N 0.923 115.451 114.554 -0.044 0.000 2.821 39 T HA -0.167 4.196 4.350 0.022 0.000 0.267 39 T C 1.706 176.395 174.700 -0.017 0.000 1.046 39 T CA 1.842 63.953 62.100 0.019 0.000 1.139 39 T CB -0.241 68.654 68.868 0.045 0.000 0.871 39 T HN 0.667 nan 8.240 nan 0.000 0.454 40 E N 1.770 121.948 120.200 -0.037 0.000 2.017 40 E HA -0.106 4.257 4.350 0.022 0.000 0.193 40 E C 2.123 178.686 176.600 -0.062 0.000 0.997 40 E CA 1.474 57.850 56.400 -0.039 0.000 0.804 40 E CB -0.489 29.186 29.700 -0.042 0.000 0.757 40 E HN 0.454 nan 8.360 nan 0.000 0.448 41 M N 0.392 119.927 119.600 -0.109 0.000 2.149 41 M HA -0.175 4.318 4.480 0.022 0.000 0.261 41 M C 2.470 178.708 176.300 -0.103 0.000 1.064 41 M CA 2.041 57.263 55.300 -0.131 0.000 1.102 41 M CB -0.474 32.003 32.600 -0.205 0.000 1.369 41 M HN 0.287 nan 8.290 nan 0.000 0.408 42 E N 0.808 120.938 120.200 -0.117 0.000 2.085 42 E HA -0.265 4.098 4.350 0.022 0.000 0.194 42 E C 1.907 178.513 176.600 0.009 0.000 0.994 42 E CA 1.427 57.808 56.400 -0.031 0.000 0.801 42 E CB 0.127 29.864 29.700 0.062 0.000 0.743 42 E HN 0.130 nan 8.360 nan 0.000 0.453 43 K N 0.902 121.303 120.400 0.002 0.000 2.186 43 K HA -0.020 4.313 4.320 0.022 0.000 0.202 43 K C 1.665 178.272 176.600 0.011 0.000 1.052 43 K CA 0.993 57.288 56.287 0.012 0.000 0.965 43 K CB 0.062 32.569 32.500 0.012 0.000 0.746 43 K HN 0.200 nan 8.250 nan 0.000 0.457 44 E N -1.036 119.164 120.200 0.001 0.000 2.333 44 E HA -0.055 4.308 4.350 0.022 0.000 0.198 44 E C 0.706 177.326 176.600 0.032 0.000 1.007 44 E CA 0.761 57.168 56.400 0.012 0.000 0.845 44 E CB 0.025 29.725 29.700 -0.001 0.000 0.766 44 E HN 0.502 nan 8.360 nan 0.000 0.507 45 G N 1.095 109.913 108.800 0.030 0.000 2.176 45 G HA2 -0.323 3.649 3.960 0.022 0.000 0.232 45 G HA3 -0.323 3.649 3.960 0.022 0.000 0.232 45 G C 0.889 175.829 174.900 0.065 0.000 0.986 45 G CA 0.506 45.634 45.100 0.047 0.000 0.643 45 G HN 0.219 nan 8.290 nan 0.000 0.522 46 K N -0.048 120.390 120.400 0.064 0.000 2.097 46 K HA 0.251 4.584 4.320 0.022 0.000 0.205 46 K C 1.525 178.150 176.600 0.042 0.000 1.050 46 K CA 1.513 57.865 56.287 0.109 0.000 0.938 46 K CB 0.012 32.602 32.500 0.151 0.000 0.718 46 K HN 0.831 nan 8.250 nan 0.000 0.442 47 I N -4.406 116.144 120.570 -0.034 0.000 3.145 47 I HA 0.478 4.661 4.170 0.022 0.000 0.313 47 I C -0.949 175.193 176.117 0.041 0.000 1.122 47 I CA -1.008 60.261 61.300 -0.052 0.000 0.987 47 I CB 2.584 40.456 38.000 -0.213 0.000 1.236 47 I HN -0.364 nan 8.210 nan 0.000 0.453 48 S N 1.419 117.188 115.700 0.115 0.000 2.575 48 S HA 0.363 4.845 4.470 0.022 0.000 0.278 48 S C -0.856 173.858 174.600 0.189 0.000 1.139 48 S CA -0.696 57.594 58.200 0.150 0.000 0.954 48 S CB 1.728 64.972 63.200 0.073 0.000 1.054 48 S HN 0.621 nan 8.310 nan 0.000 0.483 49 K N 3.159 123.638 120.400 0.131 0.000 2.416 49 K HA 0.344 4.677 4.320 0.022 0.000 0.283 49 K C -0.320 176.186 176.600 -0.158 0.000 1.037 49 K CA 0.186 56.343 56.287 -0.217 0.000 0.995 49 K CB 0.327 32.657 32.500 -0.284 0.000 0.938 49 K HN 0.582 nan 8.250 nan 0.000 0.475 50 I N 1.965 122.411 120.570 -0.208 0.000 3.654 50 I HA 0.593 4.776 4.170 0.022 0.000 0.278 50 I C 0.399 176.423 176.117 -0.155 0.000 1.193 50 I CA -0.482 60.734 61.300 -0.139 0.000 1.087 50 I CB 1.948 39.883 38.000 -0.108 0.000 1.372 50 I HN 0.751 nan 8.210 nan 0.000 0.507 51 G N 0.127 108.858 108.800 -0.116 0.000 3.253 51 G HA2 0.354 4.327 3.960 0.022 0.000 0.175 51 G HA3 0.354 4.327 3.960 0.022 0.000 0.175 51 G C -2.312 172.532 174.900 -0.093 0.000 1.098 51 G CA -0.120 44.916 45.100 -0.107 0.000 0.790 51 G HN 0.442 nan 8.290 nan 0.000 0.648 52 P HA 0.080 nan 4.420 nan 0.000 0.233 52 P C 0.265 177.520 177.300 -0.075 0.000 1.167 52 P CA 0.754 63.811 63.100 -0.073 0.000 0.770 52 P CB 0.462 32.125 31.700 -0.062 0.000 0.837 53 E N 1.645 121.802 120.200 -0.071 0.000 2.148 53 E HA 0.198 4.561 4.350 0.022 0.000 0.308 53 E C -0.700 175.854 176.600 -0.076 0.000 1.278 53 E CA -0.294 56.065 56.400 -0.069 0.000 1.368 53 E CB -1.484 28.183 29.700 -0.055 0.000 1.229 53 E HN -0.022 nan 8.360 nan 0.000 0.494 54 N N 2.644 121.283 118.700 -0.101 0.000 4.430 54 N HA 0.055 4.808 4.740 0.022 0.000 0.181 54 N C -2.643 172.754 175.510 -0.188 0.000 1.061 54 N CA -0.713 52.267 53.050 -0.117 0.000 1.089 54 N CB 1.294 39.752 38.487 -0.048 0.000 1.586 54 N HN 0.069 nan 8.380 nan 0.000 0.881 55 P HA 0.158 nan 4.420 nan 0.000 0.252 55 P C -0.126 176.956 177.300 -0.364 0.000 1.218 55 P CA 0.380 63.240 63.100 -0.400 0.000 0.807 55 P CB 0.418 31.806 31.700 -0.520 0.000 1.072 56 Y N 0.923 121.228 120.300 0.008 0.000 2.299 56 Y HA 0.469 5.032 4.550 0.022 0.000 0.335 56 Y C 1.221 177.153 175.900 0.053 0.000 1.287 56 Y CA -0.143 57.985 58.100 0.047 0.000 1.424 56 Y CB 0.304 38.802 38.460 0.065 0.000 1.326 56 Y HN -0.065 nan 8.280 nan 0.000 0.567 57 N N -0.981 117.876 118.700 0.263 0.000 3.340 57 N HA 0.206 4.959 4.740 0.022 0.000 0.234 57 N C -2.062 173.568 175.510 0.199 0.000 1.196 57 N CA -0.324 52.844 53.050 0.196 0.000 0.958 57 N CB 1.772 40.331 38.487 0.120 0.000 1.608 57 N HN 0.658 nan 8.380 nan 0.000 0.515 58 T N 2.424 117.099 114.554 0.202 0.000 2.893 58 T HA 0.522 4.885 4.350 0.022 0.000 0.293 58 T C -2.804 171.908 174.700 0.021 0.000 1.027 58 T CA -0.905 61.267 62.100 0.121 0.000 0.988 58 T CB 2.330 71.269 68.868 0.117 0.000 1.043 58 T HN 0.325 nan 8.240 nan 0.000 0.461 59 P HA 0.269 nan 4.420 nan 0.000 0.276 59 P C -0.557 176.380 177.300 -0.604 0.000 1.235 59 P CA -0.288 62.621 63.100 -0.319 0.000 0.772 59 P CB 1.101 32.609 31.700 -0.320 0.000 0.871 60 V N 5.313 124.876 119.914 -0.585 0.000 2.612 60 V HA 0.573 4.706 4.120 0.022 0.000 0.301 60 V C -0.821 174.815 176.094 -0.762 0.000 1.046 60 V CA -0.446 61.520 62.300 -0.557 0.000 0.946 60 V CB 0.552 32.184 31.823 -0.318 0.000 1.003 60 V HN 0.327 nan 8.190 nan 0.000 0.459 61 F N 3.201 123.031 119.950 -0.200 0.000 2.620 61 F HA 0.846 5.386 4.527 0.022 0.000 0.320 61 F C 0.248 175.944 175.800 -0.173 0.000 1.069 61 F CA -0.524 57.351 58.000 -0.208 0.000 0.953 61 F CB 2.105 40.944 39.000 -0.269 0.000 1.322 61 F HN 0.600 nan 8.300 nan 0.000 0.479 62 A N 2.225 125.065 122.820 0.033 0.000 2.340 62 A HA 0.807 5.139 4.320 0.022 0.000 0.297 62 A C -1.189 176.460 177.584 0.108 0.000 1.195 62 A CA -0.450 51.529 52.037 -0.098 0.000 0.769 62 A CB 0.239 18.951 19.000 -0.479 0.000 1.163 62 A HN 0.685 nan 8.150 nan 0.000 0.472 63 I N 0.370 121.120 120.570 0.300 0.000 2.785 63 I HA 0.767 4.950 4.170 0.022 0.000 0.302 63 I C -0.383 176.009 176.117 0.458 0.000 1.069 63 I CA -0.951 60.595 61.300 0.410 0.000 1.045 63 I CB 2.105 40.197 38.000 0.154 0.000 1.236 63 I HN 0.400 nan 8.210 nan 0.000 0.429 64 K N 4.358 124.869 120.400 0.184 0.000 2.274 64 K HA 0.533 4.866 4.320 0.022 0.000 0.262 64 K C -1.170 175.399 176.600 -0.051 0.000 0.961 64 K CA -0.466 55.771 56.287 -0.083 0.000 0.833 64 K CB 1.978 34.143 32.500 -0.559 0.000 1.102 64 K HN 0.922 nan 8.250 nan 0.000 0.436 65 K N 2.225 122.612 120.400 -0.021 0.000 2.399 65 K HA 0.181 4.514 4.320 0.022 0.000 0.247 65 K C 0.663 177.240 176.600 -0.039 0.000 1.036 65 K CA -0.388 55.890 56.287 -0.016 0.000 0.977 65 K CB 0.806 33.313 32.500 0.011 0.000 1.272 65 K HN 0.521 nan 8.250 nan 0.000 0.501 66 K N 0.582 120.968 120.400 -0.023 0.000 2.021 66 K HA -0.119 4.214 4.320 0.022 0.000 0.205 66 K C 1.517 178.105 176.600 -0.020 0.000 1.047 66 K CA 1.675 57.946 56.287 -0.027 0.000 0.943 66 K CB -0.264 32.227 32.500 -0.015 0.000 0.725 66 K HN 0.713 nan 8.250 nan 0.000 0.439 67 D N 0.677 121.076 120.400 -0.002 0.000 2.263 67 D HA -0.238 4.415 4.640 0.022 0.000 0.193 67 D C 0.909 177.207 176.300 -0.004 0.000 1.013 67 D CA 1.804 55.807 54.000 0.006 0.000 0.892 67 D CB -0.144 40.675 40.800 0.031 0.000 0.909 67 D HN 0.149 nan 8.370 nan 0.000 0.449 68 S N -2.078 113.614 115.700 -0.013 0.000 2.817 68 S HA 0.113 4.596 4.470 0.022 0.000 0.262 68 S C 0.444 175.013 174.600 -0.052 0.000 1.051 68 S CA 0.280 58.467 58.200 -0.022 0.000 1.185 68 S CB 1.221 64.418 63.200 -0.006 0.000 1.152 68 S HN 0.277 nan 8.310 nan 0.000 0.653 69 T N 1.695 116.206 114.554 -0.071 0.000 7.714 69 T HA -0.252 4.111 4.350 0.022 0.000 0.312 69 T C 0.155 174.743 174.700 -0.186 0.000 1.937 69 T CA 1.692 63.712 62.100 -0.134 0.000 2.886 69 T CB -1.257 67.530 68.868 -0.134 0.000 2.426 69 T HN 0.591 nan 8.240 nan 0.000 1.226 70 K N 0.121 120.463 120.400 -0.098 0.000 2.270 70 K HA 0.241 4.574 4.320 0.022 0.000 0.276 70 K C -0.111 176.500 176.600 0.019 0.000 1.023 70 K CA -0.666 55.591 56.287 -0.049 0.000 0.955 70 K CB 0.529 33.036 32.500 0.012 0.000 0.975 70 K HN 0.374 nan 8.250 nan 0.000 0.471 71 W N 4.882 126.184 121.300 0.002 0.000 2.322 71 W HA 0.015 4.687 4.660 0.021 0.000 0.328 71 W C 0.730 177.246 176.519 -0.005 0.000 1.395 71 W CA -0.582 56.764 57.345 0.002 0.000 1.267 71 W CB 0.537 30.002 29.460 0.008 0.000 1.259 71 W HN 0.554 nan 8.180 nan 0.000 0.560 72 R N 2.644 123.353 120.500 0.348 0.000 3.173 72 R HA 0.745 5.098 4.340 0.022 0.000 0.225 72 R C -0.826 175.541 176.300 0.113 0.000 1.587 72 R CA -1.284 54.913 56.100 0.163 0.000 1.033 72 R CB 0.920 31.288 30.300 0.112 0.000 1.804 72 R HN 0.321 nan 8.270 nan 0.000 0.526 73 K N -0.302 120.127 120.400 0.048 0.000 2.556 73 K HA 0.617 4.950 4.320 0.022 0.000 0.274 73 K C -1.866 174.734 176.600 0.001 0.000 0.966 73 K CA -0.899 55.388 56.287 0.000 0.000 0.865 73 K CB 1.789 34.254 32.500 -0.060 0.000 1.444 73 K HN 0.339 nan 8.250 nan 0.000 0.433 74 L N 1.276 122.489 121.223 -0.017 0.000 2.482 74 L HA 0.582 4.935 4.340 0.022 0.000 0.263 74 L C -1.890 174.922 176.870 -0.098 0.000 0.957 74 L CA -0.542 54.291 54.840 -0.012 0.000 0.836 74 L CB 2.659 44.741 42.059 0.039 0.000 1.324 74 L HN 0.618 nan 8.230 nan 0.000 0.406 75 V N 2.861 122.640 119.914 -0.224 0.000 2.409 75 V HA 0.390 4.523 4.120 0.022 0.000 0.291 75 V C -0.584 175.183 176.094 -0.545 0.000 1.020 75 V CA -0.691 61.307 62.300 -0.503 0.000 0.848 75 V CB 1.486 32.822 31.823 -0.811 0.000 0.990 75 V HN 0.656 nan 8.190 nan 0.000 0.430 76 D N 3.643 123.863 120.400 -0.300 0.000 2.470 76 D HA 0.220 4.873 4.640 0.022 0.000 0.226 76 D C 0.573 176.791 176.300 -0.137 0.000 1.196 76 D CA -0.085 53.850 54.000 -0.107 0.000 0.979 76 D CB 0.335 41.242 40.800 0.179 0.000 1.059 76 D HN 0.423 nan 8.370 nan 0.000 0.515 77 F N 1.695 121.694 119.950 0.081 0.000 2.699 77 F HA 0.070 4.610 4.527 0.021 0.000 0.298 77 F C 2.195 178.066 175.800 0.118 0.000 1.154 77 F CA 0.068 58.134 58.000 0.109 0.000 1.457 77 F CB -0.156 38.929 39.000 0.141 0.000 1.106 77 F HN 0.225 nan 8.300 nan 0.000 0.585 78 R N 0.426 121.062 120.500 0.226 0.000 2.189 78 R HA -0.267 4.086 4.340 0.022 0.000 0.252 78 R C 2.067 178.467 176.300 0.167 0.000 1.134 78 R CA 2.136 58.333 56.100 0.161 0.000 0.954 78 R CB -0.525 29.839 30.300 0.106 0.000 0.890 78 R HN 0.245 nan 8.270 nan 0.000 0.443 79 E N 0.553 120.856 120.200 0.172 0.000 2.031 79 E HA -0.182 4.181 4.350 0.022 0.000 0.193 79 E C 2.033 178.736 176.600 0.173 0.000 0.994 79 E CA 0.852 57.344 56.400 0.153 0.000 0.800 79 E CB -0.574 29.213 29.700 0.146 0.000 0.752 79 E HN 0.172 nan 8.360 nan 0.000 0.447 80 L N 2.227 123.594 121.223 0.240 0.000 2.013 80 L HA -0.225 4.128 4.340 0.022 0.000 0.212 80 L C 1.594 178.637 176.870 0.287 0.000 1.073 80 L CA 1.845 56.833 54.840 0.246 0.000 0.753 80 L CB -0.831 41.430 42.059 0.337 0.000 0.890 80 L HN 0.005 nan 8.230 nan 0.000 0.432 81 N N 0.800 119.687 118.700 0.311 0.000 2.043 81 N HA -0.243 4.510 4.740 0.022 0.000 0.193 81 N C 1.646 177.245 175.510 0.148 0.000 1.037 81 N CA 2.044 55.233 53.050 0.233 0.000 0.851 81 N CB -0.505 38.074 38.487 0.153 0.000 1.027 81 N HN 0.643 nan 8.380 nan 0.000 0.422 82 K N 0.485 120.956 120.400 0.119 0.000 2.442 82 K HA 0.026 4.359 4.320 0.022 0.000 0.198 82 K C 1.502 178.140 176.600 0.064 0.000 1.044 82 K CA 1.068 57.401 56.287 0.076 0.000 0.948 82 K CB 0.052 32.592 32.500 0.066 0.000 0.762 82 K HN 0.083 nan 8.250 nan 0.000 0.472 83 R N 0.351 120.900 120.500 0.083 0.000 2.307 83 R HA 0.130 4.483 4.340 0.022 0.000 0.200 83 R C -0.047 176.285 176.300 0.053 0.000 0.893 83 R CA 0.081 56.203 56.100 0.037 0.000 1.042 83 R CB 0.620 30.916 30.300 -0.006 0.000 1.059 83 R HN 0.069 nan 8.270 nan 0.000 0.530 84 T N 2.385 117.035 114.554 0.159 0.000 2.918 84 T HA 0.024 4.387 4.350 0.022 0.000 0.302 84 T C 0.209 174.923 174.700 0.024 0.000 1.045 84 T CA -0.319 61.921 62.100 0.233 0.000 1.114 84 T CB 1.168 70.311 68.868 0.458 0.000 0.965 84 T HN 0.229 nan 8.240 nan 0.000 0.540 85 Q N 1.870 121.609 119.800 -0.102 0.000 2.614 85 Q HA 0.129 4.481 4.340 0.022 0.000 0.244 85 Q C -0.899 174.790 176.000 -0.518 0.000 1.097 85 Q CA -0.239 55.392 55.803 -0.286 0.000 0.986 85 Q CB 0.251 28.771 28.738 -0.362 0.000 1.308 85 Q HN 0.462 nan 8.270 nan 0.000 0.546 86 D N 0.122 120.272 120.400 -0.417 0.000 2.283 86 D HA 0.402 5.055 4.640 0.022 0.000 0.248 86 D C -1.105 174.872 176.300 -0.538 0.000 1.072 86 D CA -0.034 53.765 54.000 -0.336 0.000 0.929 86 D CB 0.581 41.315 40.800 -0.109 0.000 1.182 86 D HN 0.344 nan 8.370 nan 0.000 0.433 87 F N -0.243 119.705 119.950 -0.004 0.000 2.661 87 F HA 0.399 4.939 4.527 0.021 0.000 0.347 87 F C -0.042 175.849 175.800 0.152 0.000 1.086 87 F CA -1.174 56.848 58.000 0.036 0.000 1.016 87 F CB 0.738 39.706 39.000 -0.052 0.000 1.368 87 F HN 0.240 nan 8.300 nan 0.000 0.505 88 W N 2.337 123.728 121.300 0.151 0.000 2.202 88 W HA 0.242 4.914 4.660 0.021 0.000 0.332 88 W C -0.241 176.308 176.519 0.050 0.000 1.263 88 W CA -0.829 56.554 57.345 0.064 0.000 1.223 88 W CB 0.911 30.395 29.460 0.041 0.000 1.128 88 W HN 0.656 nan 8.180 nan 0.000 0.573 89 E N 1.990 121.674 120.200 -0.859 0.000 2.529 89 E HA 0.109 4.471 4.350 0.022 0.000 0.259 89 E C 0.030 176.356 176.600 -0.456 0.000 0.966 89 E CA -0.288 55.700 56.400 -0.687 0.000 0.937 89 E CB 0.390 29.555 29.700 -0.892 0.000 0.923 89 E HN 0.277 nan 8.360 nan 0.000 0.468 90 V N 1.255 121.017 119.914 -0.254 0.000 3.185 90 V HA 0.021 4.154 4.120 0.022 0.000 0.305 90 V C 0.598 176.609 176.094 -0.139 0.000 1.090 90 V CA -0.823 61.380 62.300 -0.162 0.000 1.107 90 V CB 1.152 32.890 31.823 -0.142 0.000 1.061 90 V HN 0.928 nan 8.190 nan 0.000 0.480 91 Q N 1.345 121.107 119.800 -0.062 0.000 2.292 91 Q HA 0.003 4.356 4.340 0.022 0.000 0.290 91 Q C 0.070 176.074 176.000 0.006 0.000 1.161 91 Q CA -0.008 55.792 55.803 -0.004 0.000 0.974 91 Q CB 0.306 29.090 28.738 0.077 0.000 1.136 91 Q HN 0.831 nan 8.270 nan 0.000 0.398 92 L N 3.526 124.728 121.223 -0.035 0.000 2.590 92 L HA 0.260 4.613 4.340 0.022 0.000 0.227 92 L C 0.814 177.679 176.870 -0.008 0.000 1.099 92 L CA 0.835 55.656 54.840 -0.031 0.000 0.872 92 L CB 0.292 42.303 42.059 -0.081 0.000 1.088 92 L HN 0.684 nan 8.230 nan 0.000 0.479 93 G N 2.487 111.291 108.800 0.006 0.000 2.607 93 G HA2 0.403 4.376 3.960 0.022 0.000 0.332 93 G HA3 0.403 4.376 3.960 0.022 0.000 0.332 93 G C 0.321 175.256 174.900 0.058 0.000 1.046 93 G CA -0.294 44.813 45.100 0.011 0.000 1.099 93 G HN 0.064 nan 8.290 nan 0.000 0.451 94 I N 1.007 121.611 120.570 0.057 0.000 2.764 94 I HA 0.537 4.720 4.170 0.022 0.000 0.294 94 I C -2.311 173.856 176.117 0.082 0.000 1.045 94 I CA -2.502 58.873 61.300 0.124 0.000 1.340 94 I CB 0.547 38.578 38.000 0.052 0.000 1.436 94 I HN 0.079 nan 8.210 nan 0.000 0.567 95 P HA 0.220 nan 4.420 nan 0.000 0.272 95 P C -1.179 176.164 177.300 0.073 0.000 1.223 95 P CA 0.295 63.376 63.100 -0.032 0.000 0.784 95 P CB 0.239 31.770 31.700 -0.282 0.000 0.923 96 H N 2.041 121.039 119.070 -0.120 0.000 2.481 96 H HA 0.280 4.849 4.556 0.021 0.000 0.333 96 H C -1.770 173.430 175.328 -0.213 0.000 1.066 96 H CA -1.982 53.967 56.048 -0.165 0.000 1.209 96 H CB 1.175 30.783 29.762 -0.256 0.000 1.445 96 H HN 0.248 nan 8.280 nan 0.000 0.488 97 P HA -0.337 nan 4.420 nan 0.000 0.222 97 P C 1.033 178.175 177.300 -0.263 0.000 1.157 97 P CA 2.750 65.537 63.100 -0.521 0.000 0.905 97 P CB 0.066 31.103 31.700 -1.104 0.000 0.792 98 A N -0.981 121.683 122.820 -0.259 0.000 2.024 98 A HA -0.117 4.216 4.320 0.022 0.000 0.220 98 A C 2.379 180.208 177.584 0.409 0.000 1.164 98 A CA 2.109 54.244 52.037 0.163 0.000 0.643 98 A CB -1.629 17.551 19.000 0.300 0.000 0.806 98 A HN 0.350 nan 8.150 nan 0.000 0.451 99 G N -0.877 108.000 108.800 0.127 0.000 2.603 99 G HA2 0.287 4.260 3.960 0.022 0.000 0.214 99 G HA3 0.287 4.260 3.960 0.022 0.000 0.214 99 G C 0.700 175.753 174.900 0.255 0.000 1.140 99 G CA -0.112 45.030 45.100 0.070 0.000 0.800 99 G HN 0.420 nan 8.290 nan 0.000 0.533 100 L N 0.203 121.526 121.223 0.167 0.000 2.482 100 L HA 0.320 4.672 4.340 0.022 0.000 0.273 100 L C 0.124 177.092 176.870 0.163 0.000 1.228 100 L CA -0.180 54.705 54.840 0.076 0.000 0.827 100 L CB 0.424 42.434 42.059 -0.082 0.000 1.099 100 L HN -0.052 nan 8.230 nan 0.000 0.494 101 K N 0.736 121.134 120.400 -0.004 0.000 2.118 101 K HA 0.302 4.635 4.320 0.022 0.000 0.254 101 K C -0.632 175.819 176.600 -0.249 0.000 0.961 101 K CA -0.808 55.472 56.287 -0.010 0.000 0.876 101 K CB 1.285 33.786 32.500 0.001 0.000 1.077 101 K HN 0.408 nan 8.250 nan 0.000 0.440 102 K N 1.819 122.147 120.400 -0.120 0.000 2.298 102 K HA 0.203 4.536 4.320 0.022 0.000 0.280 102 K C -0.498 176.048 176.600 -0.089 0.000 1.032 102 K CA -0.201 56.001 56.287 -0.142 0.000 0.958 102 K CB 0.706 33.297 32.500 0.151 0.000 0.978 102 K HN 0.149 nan 8.250 nan 0.000 0.472 103 K N 3.161 123.506 120.400 -0.092 0.000 2.340 103 K HA 0.177 4.510 4.320 0.022 0.000 0.244 103 K C 0.080 176.678 176.600 -0.004 0.000 0.973 103 K CA -1.016 55.251 56.287 -0.033 0.000 0.828 103 K CB 1.696 34.178 32.500 -0.031 0.000 1.226 103 K HN 0.448 nan 8.250 nan 0.000 0.437 104 K N 0.495 120.892 120.400 -0.004 0.000 2.057 104 K HA 0.040 4.373 4.320 0.022 0.000 0.207 104 K C 0.212 176.769 176.600 -0.071 0.000 1.049 104 K CA 1.243 57.518 56.287 -0.020 0.000 0.931 104 K CB 0.213 32.705 32.500 -0.013 0.000 0.714 104 K HN 0.505 nan 8.250 nan 0.000 0.440 105 S N -1.814 113.807 115.700 -0.131 0.000 2.607 105 S HA 0.647 5.130 4.470 0.022 0.000 0.273 105 S C -1.698 172.848 174.600 -0.090 0.000 1.148 105 S CA -0.956 57.099 58.200 -0.242 0.000 0.833 105 S CB 2.450 65.181 63.200 -0.781 0.000 1.130 105 S HN -0.199 nan 8.310 nan 0.000 0.470 106 V N 1.426 121.358 119.914 0.031 0.000 2.891 106 V HA 0.648 4.780 4.120 0.022 0.000 0.304 106 V C -0.951 175.310 176.094 0.279 0.000 1.171 106 V CA -0.519 61.902 62.300 0.201 0.000 0.943 106 V CB 2.286 34.255 31.823 0.244 0.000 1.037 106 V HN 0.940 nan 8.190 nan 0.000 0.427 107 T N 2.965 117.674 114.554 0.258 0.000 2.900 107 T HA 0.612 4.975 4.350 0.022 0.000 0.295 107 T C -1.087 173.601 174.700 -0.021 0.000 1.044 107 T CA -0.513 61.708 62.100 0.201 0.000 0.995 107 T CB 2.150 71.153 68.868 0.225 0.000 1.072 107 T HN 0.606 nan 8.240 nan 0.000 0.473 108 V N 3.964 123.809 119.914 -0.115 0.000 2.417 108 V HA 0.752 4.885 4.120 0.022 0.000 0.291 108 V C -1.295 174.652 176.094 -0.246 0.000 1.024 108 V CA -0.740 61.292 62.300 -0.447 0.000 0.861 108 V CB 1.198 32.565 31.823 -0.760 0.000 0.985 108 V HN 0.700 nan 8.190 nan 0.000 0.436 109 L N 5.424 126.482 121.223 -0.275 0.000 2.334 109 L HA 0.634 4.987 4.340 0.022 0.000 0.276 109 L C -0.216 176.552 176.870 -0.170 0.000 1.014 109 L CA 0.149 54.891 54.840 -0.163 0.000 0.815 109 L CB 1.804 43.776 42.059 -0.144 0.000 1.268 109 L HN 0.705 nan 8.230 nan 0.000 0.428 110 D N 2.960 123.298 120.400 -0.103 0.000 2.472 110 D HA 0.188 4.841 4.640 0.022 0.000 0.234 110 D C -0.120 176.145 176.300 -0.059 0.000 1.088 110 D CA -0.228 53.720 54.000 -0.086 0.000 0.882 110 D CB 1.259 42.019 40.800 -0.068 0.000 1.037 110 D HN 0.367 nan 8.370 nan 0.000 0.520 111 V N 2.813 122.703 119.914 -0.040 0.000 2.743 111 V HA 0.277 4.410 4.120 0.022 0.000 0.356 111 V C 1.748 177.871 176.094 0.048 0.000 1.594 111 V CA -0.311 61.994 62.300 0.009 0.000 1.652 111 V CB -0.282 31.554 31.823 0.021 0.000 1.389 111 V HN 0.458 nan 8.190 nan 0.000 0.514 112 G N 3.357 112.155 108.800 -0.004 0.000 3.029 112 G HA2 -0.335 3.638 3.960 0.022 0.000 0.206 112 G HA3 -0.335 3.638 3.960 0.022 0.000 0.206 112 G C 0.601 175.546 174.900 0.075 0.000 1.295 112 G CA 1.209 46.306 45.100 -0.005 0.000 0.767 112 G HN 0.874 nan 8.290 nan 0.000 0.832 113 D N 0.986 121.461 120.400 0.125 0.000 2.841 113 D HA 0.445 5.098 4.640 0.022 0.000 0.244 113 D C 1.386 177.894 176.300 0.347 0.000 1.228 113 D CA 0.609 54.786 54.000 0.295 0.000 0.872 113 D CB -0.117 40.805 40.800 0.204 0.000 1.082 113 D HN 0.354 nan 8.370 nan 0.000 0.457 114 A N -0.428 122.559 122.820 0.278 0.000 2.119 114 A HA -0.133 4.200 4.320 0.022 0.000 0.217 114 A C 1.411 179.232 177.584 0.395 0.000 1.153 114 A CA 0.410 52.626 52.037 0.298 0.000 0.692 114 A CB -0.715 18.473 19.000 0.313 0.000 0.799 114 A HN 0.309 nan 8.150 nan 0.000 0.458 115 Y N -0.750 119.765 120.300 0.358 0.000 2.128 115 Y HA -0.201 4.361 4.550 0.021 0.000 0.284 115 Y C 1.510 177.430 175.900 0.033 0.000 1.154 115 Y CA 1.708 59.892 58.100 0.139 0.000 1.149 115 Y CB -0.650 37.742 38.460 -0.114 0.000 0.976 115 Y HN 0.398 nan 8.280 nan 0.000 0.505 116 F N -1.288 118.870 119.950 0.346 0.000 2.769 116 F HA 0.027 4.567 4.527 0.021 0.000 0.304 116 F C 1.891 177.798 175.800 0.180 0.000 1.158 116 F CA 0.395 58.549 58.000 0.256 0.000 1.398 116 F CB -0.241 38.887 39.000 0.213 0.000 1.094 116 F HN -0.114 nan 8.300 nan 0.000 0.553 117 S N -1.228 114.643 115.700 0.285 0.000 2.499 117 S HA 0.121 4.604 4.470 0.022 0.000 0.225 117 S C 0.729 175.404 174.600 0.125 0.000 1.050 117 S CA -0.073 58.233 58.200 0.176 0.000 0.928 117 S CB 0.249 63.520 63.200 0.117 0.000 0.803 117 S HN -0.076 nan 8.310 nan 0.000 0.506 118 V N 4.713 124.695 119.914 0.114 0.000 2.488 118 V HA 0.253 4.386 4.120 0.022 0.000 0.277 118 V C -2.495 173.656 176.094 0.096 0.000 1.046 118 V CA -1.994 60.350 62.300 0.072 0.000 0.986 118 V CB 0.507 32.356 31.823 0.044 0.000 0.989 118 V HN 0.129 nan 8.190 nan 0.000 0.475 119 P HA 0.130 nan 4.420 nan 0.000 0.269 119 P C -0.325 177.019 177.300 0.074 0.000 1.209 119 P CA -0.131 63.020 63.100 0.085 0.000 0.776 119 P CB 0.583 32.328 31.700 0.075 0.000 0.876 120 L N 2.317 123.583 121.223 0.072 0.000 2.357 120 L HA 0.247 4.599 4.340 0.022 0.000 0.273 120 L C 0.467 177.369 176.870 0.054 0.000 1.080 120 L CA -0.622 54.242 54.840 0.040 0.000 0.803 120 L CB 1.015 43.086 42.059 0.020 0.000 1.174 120 L HN 0.351 nan 8.230 nan 0.000 0.443 121 D N 2.456 122.886 120.400 0.051 0.000 2.356 121 D HA -0.079 4.574 4.640 0.022 0.000 0.272 121 D C 1.419 177.780 176.300 0.102 0.000 1.337 121 D CA 0.005 54.054 54.000 0.081 0.000 0.970 121 D CB 0.746 41.603 40.800 0.095 0.000 1.092 121 D HN 0.461 nan 8.370 nan 0.000 0.516 122 E N 2.638 122.884 120.200 0.077 0.000 2.233 122 E HA -0.354 4.009 4.350 0.022 0.000 0.210 122 E C 0.798 177.432 176.600 0.057 0.000 1.046 122 E CA 1.788 58.225 56.400 0.062 0.000 0.844 122 E CB -0.382 29.348 29.700 0.049 0.000 0.741 122 E HN 0.606 nan 8.360 nan 0.000 0.465 123 D N 0.031 120.481 120.400 0.084 0.000 2.084 123 D HA -0.059 4.594 4.640 0.022 0.000 0.196 123 D C 1.669 178.014 176.300 0.075 0.000 0.985 123 D CA 1.143 55.188 54.000 0.075 0.000 0.826 123 D CB -0.533 40.335 40.800 0.113 0.000 0.978 123 D HN 0.216 nan 8.370 nan 0.000 0.456 124 F N 1.513 121.474 119.950 0.018 0.000 2.269 124 F HA -0.065 4.475 4.527 0.022 0.000 0.301 124 F C 2.010 177.774 175.800 -0.060 0.000 1.082 124 F CA 0.987 59.038 58.000 0.085 0.000 1.360 124 F CB 0.096 39.135 39.000 0.065 0.000 1.041 124 F HN -0.199 nan 8.300 nan 0.000 0.512 125 R N 0.826 121.361 120.500 0.058 0.000 2.178 125 R HA -0.283 4.070 4.340 0.022 0.000 0.257 125 R C 2.187 178.412 176.300 -0.126 0.000 1.163 125 R CA 2.250 58.343 56.100 -0.012 0.000 0.981 125 R CB -0.721 29.594 30.300 0.025 0.000 0.878 125 R HN 0.446 nan 8.270 nan 0.000 0.454 126 K N -0.415 119.811 120.400 -0.290 0.000 2.211 126 K HA -0.176 4.157 4.320 0.022 0.000 0.204 126 K C 1.360 177.764 176.600 -0.325 0.000 1.047 126 K CA 1.631 57.740 56.287 -0.296 0.000 0.935 126 K CB -0.344 31.948 32.500 -0.346 0.000 0.728 126 K HN 0.223 nan 8.250 nan 0.000 0.452 127 Y N 2.608 122.667 120.300 -0.401 0.000 2.439 127 Y HA -0.072 4.491 4.550 0.022 0.000 0.292 127 Y C 2.269 178.056 175.900 -0.188 0.000 1.130 127 Y CA 1.249 59.032 58.100 -0.530 0.000 1.254 127 Y CB -0.566 37.269 38.460 -1.041 0.000 1.000 127 Y HN 0.288 nan 8.280 nan 0.000 0.554 128 T N -2.074 112.503 114.554 0.039 0.000 3.219 128 T HA 0.479 4.842 4.350 0.022 0.000 0.249 128 T C 0.784 175.753 174.700 0.449 0.000 1.099 128 T CA 0.016 62.273 62.100 0.260 0.000 0.988 128 T CB -0.701 68.265 68.868 0.165 0.000 0.999 128 T HN 0.206 nan 8.240 nan 0.000 0.550 129 A N 1.710 124.694 122.820 0.273 0.000 2.462 129 A HA 0.586 4.919 4.320 0.022 0.000 0.243 129 A C -0.039 177.726 177.584 0.302 0.000 1.076 129 A CA -0.580 51.571 52.037 0.189 0.000 0.773 129 A CB -0.300 18.757 19.000 0.095 0.000 1.010 129 A HN 0.726 nan 8.150 nan 0.000 0.493 130 F N -0.952 119.088 119.950 0.150 0.000 2.726 130 F HA 0.870 5.410 4.527 0.022 0.000 0.324 130 F C -0.346 175.499 175.800 0.075 0.000 1.140 130 F CA -0.890 57.164 58.000 0.091 0.000 0.964 130 F CB 1.370 40.412 39.000 0.070 0.000 1.399 130 F HN 0.363 nan 8.300 nan 0.000 0.491 131 T N 1.742 116.462 114.554 0.277 0.000 2.971 131 T HA 0.501 4.863 4.350 0.022 0.000 0.304 131 T C -0.815 173.982 174.700 0.162 0.000 1.038 131 T CA -0.423 61.758 62.100 0.135 0.000 1.007 131 T CB 1.593 70.487 68.868 0.045 0.000 1.055 131 T HN 0.599 nan 8.240 nan 0.000 0.451 132 I N 5.801 126.458 120.570 0.146 0.000 2.322 132 I HA 0.234 4.417 4.170 0.022 0.000 0.292 132 I C -1.709 174.435 176.117 0.045 0.000 1.060 132 I CA -2.154 59.212 61.300 0.109 0.000 1.309 132 I CB 0.913 38.997 38.000 0.140 0.000 1.415 132 I HN 0.316 nan 8.210 nan 0.000 0.492 133 P HA -0.022 nan 4.420 nan 0.000 0.270 133 P C -0.254 177.049 177.300 0.006 0.000 1.227 133 P CA -0.098 63.011 63.100 0.015 0.000 0.788 133 P CB 0.986 32.699 31.700 0.020 0.000 0.926 134 S N -0.036 115.664 115.700 -0.000 0.000 2.722 134 S HA 0.396 4.879 4.470 0.022 0.000 0.292 134 S C 0.172 174.771 174.600 -0.002 0.000 1.135 134 S CA -0.746 57.452 58.200 -0.004 0.000 1.003 134 S CB -0.050 63.145 63.200 -0.009 0.000 1.067 134 S HN 0.199 nan 8.310 nan 0.000 0.546 135 I N 4.285 124.853 120.570 -0.002 0.000 2.818 135 I HA 0.033 4.216 4.170 0.022 0.000 0.285 135 I C 1.183 177.299 176.117 -0.000 0.000 1.160 135 I CA 0.841 62.141 61.300 0.000 0.000 1.370 135 I CB -1.086 36.915 38.000 0.002 0.000 1.440 135 I HN 0.697 nan 8.210 nan 0.000 0.555 136 N N 5.850 124.551 118.700 0.001 0.000 2.667 136 N HA -0.283 4.470 4.740 0.022 0.000 0.263 136 N C 0.014 175.519 175.510 -0.008 0.000 1.038 136 N CA 0.481 53.529 53.050 -0.003 0.000 0.749 136 N CB -0.623 37.863 38.487 -0.002 0.000 0.892 136 N HN 0.813 nan 8.380 nan 0.000 0.546 137 N N 0.126 118.821 118.700 -0.009 0.000 2.688 137 N HA -0.188 4.565 4.740 0.022 0.000 0.258 137 N C -0.255 175.247 175.510 -0.013 0.000 1.016 137 N CA 1.763 54.806 53.050 -0.012 0.000 0.747 137 N CB -0.485 37.991 38.487 -0.018 0.000 0.895 137 N HN 0.690 nan 8.380 nan 0.000 0.543 138 E N -0.838 119.355 120.200 -0.011 0.000 3.655 138 E HA 0.269 4.632 4.350 0.022 0.000 0.280 138 E C 0.788 177.379 176.600 -0.015 0.000 1.425 138 E CA -0.031 56.362 56.400 -0.012 0.000 1.341 138 E CB 0.227 29.921 29.700 -0.010 0.000 1.349 138 E HN 0.479 nan 8.360 nan 0.000 0.775 139 T N 0.426 114.970 114.554 -0.017 0.000 2.680 139 T HA 0.066 4.429 4.350 0.022 0.000 0.314 139 T C -2.307 172.378 174.700 -0.025 0.000 1.045 139 T CA -1.245 60.842 62.100 -0.021 0.000 1.025 139 T CB -0.610 68.244 68.868 -0.022 0.000 1.000 139 T HN 0.188 nan 8.240 nan 0.000 0.535 140 P HA 0.048 nan 4.420 nan 0.000 0.261 140 P C 0.583 177.859 177.300 -0.039 0.000 1.140 140 P CA 0.683 63.760 63.100 -0.038 0.000 0.757 140 P CB -0.184 31.487 31.700 -0.048 0.000 0.735 141 G N 3.274 112.053 108.800 -0.035 0.000 2.563 141 G HA2 0.398 4.371 3.960 0.022 0.000 0.283 141 G HA3 0.398 4.371 3.960 0.022 0.000 0.283 141 G C -0.348 174.518 174.900 -0.057 0.000 1.309 141 G CA -0.608 44.474 45.100 -0.029 0.000 1.022 141 G HN 0.399 nan 8.290 nan 0.000 0.501 142 I N 0.142 120.681 120.570 -0.053 0.000 2.441 142 I HA 0.331 4.513 4.170 0.022 0.000 0.287 142 I C 0.741 176.745 176.117 -0.188 0.000 1.049 142 I CA -0.208 61.012 61.300 -0.134 0.000 1.381 142 I CB 0.812 38.761 38.000 -0.084 0.000 1.409 142 I HN 0.341 nan 8.210 nan 0.000 0.523 143 R N 4.935 125.228 120.500 -0.344 0.000 2.532 143 R HA 0.644 4.997 4.340 0.022 0.000 0.295 143 R C -1.391 174.546 176.300 -0.604 0.000 0.968 143 R CA -0.536 55.349 56.100 -0.358 0.000 0.916 143 R CB 1.832 31.986 30.300 -0.243 0.000 1.124 143 R HN 0.451 nan 8.270 nan 0.000 0.463 144 Y N -0.251 119.743 120.300 -0.510 0.000 2.728 144 Y HA 0.253 4.816 4.550 0.022 0.000 0.330 144 Y C -0.668 174.879 175.900 -0.589 0.000 1.234 144 Y CA -0.778 56.978 58.100 -0.574 0.000 1.070 144 Y CB 2.040 40.044 38.460 -0.759 0.000 1.300 144 Y HN 0.491 nan 8.280 nan 0.000 0.467 145 Q N -0.599 119.140 119.800 -0.103 0.000 2.472 145 Q HA 0.489 4.842 4.340 0.022 0.000 0.281 145 Q C -2.274 173.855 176.000 0.214 0.000 0.997 145 Q CA -1.069 54.779 55.803 0.074 0.000 0.828 145 Q CB 2.066 30.835 28.738 0.051 0.000 1.443 145 Q HN 0.581 nan 8.270 nan 0.000 0.390 146 Y N 1.197 121.620 120.300 0.206 0.000 2.301 146 Y HA 0.279 4.842 4.550 0.022 0.000 0.328 146 Y C 0.728 176.683 175.900 0.093 0.000 1.242 146 Y CA 0.227 58.439 58.100 0.186 0.000 1.323 146 Y CB 1.046 39.606 38.460 0.166 0.000 1.266 146 Y HN 0.745 nan 8.280 nan 0.000 0.527 147 N N 0.590 119.442 118.700 0.253 0.000 2.159 147 N HA 0.139 4.892 4.740 0.022 0.000 0.217 147 N C -0.980 174.629 175.510 0.165 0.000 1.223 147 N CA 0.348 53.495 53.050 0.160 0.000 0.896 147 N CB 0.935 39.491 38.487 0.116 0.000 1.064 147 N HN 0.361 nan 8.380 nan 0.000 0.518 148 V N -2.733 117.323 119.914 0.236 0.000 3.156 148 V HA 0.555 4.688 4.120 0.022 0.000 0.310 148 V C -0.382 175.773 176.094 0.101 0.000 1.234 148 V CA -1.173 61.238 62.300 0.186 0.000 1.065 148 V CB 1.420 33.389 31.823 0.244 0.000 1.088 148 V HN -0.287 nan 8.190 nan 0.000 0.451 149 L N 2.933 124.178 121.223 0.038 0.000 2.456 149 L HA 0.433 4.786 4.340 0.022 0.000 0.277 149 L C -2.317 174.328 176.870 -0.375 0.000 1.124 149 L CA -1.161 53.664 54.840 -0.024 0.000 0.880 149 L CB -0.434 41.719 42.059 0.157 0.000 1.192 149 L HN 0.541 nan 8.230 nan 0.000 0.463 150 P HA 0.064 nan 4.420 nan 0.000 0.276 150 P C -0.513 176.457 177.300 -0.550 0.000 1.230 150 P CA -0.530 62.070 63.100 -0.833 0.000 0.776 150 P CB 0.466 31.414 31.700 -1.253 0.000 0.888 151 Q N 2.115 121.672 119.800 -0.405 0.000 2.255 151 Q HA 0.179 4.532 4.340 0.022 0.000 0.280 151 Q C 1.447 177.418 176.000 -0.047 0.000 1.068 151 Q CA 1.688 57.334 55.803 -0.261 0.000 0.911 151 Q CB -0.024 28.830 28.738 0.194 0.000 1.157 151 Q HN 0.913 nan 8.270 nan 0.000 0.380 152 G N 3.489 112.185 108.800 -0.173 0.000 2.232 152 G HA2 -0.260 3.713 3.960 0.022 0.000 0.226 152 G HA3 -0.260 3.713 3.960 0.022 0.000 0.226 152 G C -0.359 174.584 174.900 0.073 0.000 0.996 152 G CA -0.035 45.078 45.100 0.023 0.000 0.626 152 G HN 0.613 nan 8.290 nan 0.000 0.509 153 W N 2.779 123.900 121.300 -0.298 0.000 2.238 153 W HA 0.621 5.294 4.660 0.022 0.000 0.321 153 W C 1.340 177.660 176.519 -0.331 0.000 1.293 153 W CA -0.175 56.884 57.345 -0.477 0.000 1.204 153 W CB 0.830 29.740 29.460 -0.916 0.000 1.167 153 W HN 0.126 nan 8.180 nan 0.000 0.553 154 K N 3.029 122.775 120.400 -1.089 0.000 2.052 154 K HA -0.233 4.100 4.320 0.022 0.000 0.215 154 K C 1.907 177.708 176.600 -1.331 0.000 1.053 154 K CA 2.333 58.049 56.287 -0.952 0.000 0.934 154 K CB -0.694 31.511 32.500 -0.492 0.000 0.717 154 K HN 0.810 nan 8.250 nan 0.000 0.450 155 G N -0.196 107.069 108.800 -2.559 0.000 2.403 155 G HA2 -0.190 3.782 3.960 0.022 0.000 0.216 155 G HA3 -0.190 3.782 3.960 0.022 0.000 0.216 155 G C 1.404 175.472 174.900 -1.387 0.000 1.154 155 G CA 0.831 44.513 45.100 -2.364 0.000 0.784 155 G HN 0.333 nan 8.290 nan 0.000 0.538 156 S N 2.056 117.114 115.700 -1.070 0.000 2.426 156 S HA -0.212 4.271 4.470 0.022 0.000 0.259 156 S C 0.271 174.818 174.600 -0.088 0.000 1.096 156 S CA 2.161 60.198 58.200 -0.272 0.000 1.219 156 S CB -1.307 61.729 63.200 -0.273 0.000 1.124 156 S HN 0.335 nan 8.310 nan 0.000 0.436 157 P HA -0.136 nan 4.420 nan 0.000 0.213 157 P C 1.643 178.856 177.300 -0.145 0.000 1.176 157 P CA 1.837 64.868 63.100 -0.114 0.000 0.919 157 P CB -0.218 31.363 31.700 -0.199 0.000 0.791 158 A N -1.195 121.464 122.820 -0.269 0.000 1.933 158 A HA -0.193 4.140 4.320 0.022 0.000 0.218 158 A C 2.247 179.737 177.584 -0.157 0.000 1.175 158 A CA 1.565 53.475 52.037 -0.212 0.000 0.628 158 A CB -1.671 17.164 19.000 -0.275 0.000 0.814 158 A HN 0.106 nan 8.150 nan 0.000 0.444 159 I N -1.926 118.512 120.570 -0.221 0.000 2.113 159 I HA -0.225 3.958 4.170 0.022 0.000 0.238 159 I C 2.343 178.448 176.117 -0.021 0.000 1.070 159 I CA 1.763 62.991 61.300 -0.120 0.000 1.332 159 I CB -0.501 37.426 38.000 -0.122 0.000 1.044 159 I HN 0.454 nan 8.210 nan 0.000 0.402 160 F N 1.853 121.714 119.950 -0.150 0.000 2.063 160 F HA -0.383 4.157 4.527 0.021 0.000 0.298 160 F C 2.625 178.307 175.800 -0.197 0.000 1.109 160 F CA 2.361 60.255 58.000 -0.178 0.000 1.212 160 F CB -0.561 38.278 39.000 -0.269 0.000 0.973 160 F HN 0.026 nan 8.300 nan 0.000 0.480 161 Q N 0.277 120.186 119.800 0.182 0.000 2.045 161 Q HA -0.235 4.118 4.340 0.022 0.000 0.206 161 Q C 2.617 178.560 176.000 -0.095 0.000 0.991 161 Q CA 2.654 58.483 55.803 0.042 0.000 0.851 161 Q CB -0.858 27.890 28.738 0.018 0.000 0.911 161 Q HN 0.510 nan 8.270 nan 0.000 0.418 162 S N -1.058 114.594 115.700 -0.080 0.000 2.353 162 S HA -0.207 4.276 4.470 0.022 0.000 0.222 162 S C 2.044 176.550 174.600 -0.157 0.000 1.035 162 S CA 1.729 59.875 58.200 -0.090 0.000 1.025 162 S CB -0.601 62.565 63.200 -0.056 0.000 0.902 162 S HN 0.519 nan 8.310 nan 0.000 0.440 163 S N 1.430 117.013 115.700 -0.195 0.000 2.368 163 S HA -0.234 4.249 4.470 0.022 0.000 0.226 163 S C 1.862 176.242 174.600 -0.366 0.000 1.044 163 S CA 2.002 60.039 58.200 -0.271 0.000 1.062 163 S CB -0.658 62.367 63.200 -0.290 0.000 0.931 163 S HN 0.605 nan 8.310 nan 0.000 0.440 164 M N 2.004 121.346 119.600 -0.430 0.000 2.082 164 M HA -0.134 4.359 4.480 0.022 0.000 0.258 164 M C 1.982 178.096 176.300 -0.310 0.000 1.069 164 M CA 1.844 56.880 55.300 -0.440 0.000 1.102 164 M CB -1.493 30.834 32.600 -0.456 0.000 1.336 164 M HN 0.296 nan 8.290 nan 0.000 0.404 165 T N 0.439 114.860 114.554 -0.221 0.000 2.759 165 T HA -0.186 4.177 4.350 0.022 0.000 0.269 165 T C 1.794 176.409 174.700 -0.141 0.000 1.042 165 T CA 1.873 63.887 62.100 -0.143 0.000 1.140 165 T CB -0.265 68.549 68.868 -0.089 0.000 0.864 165 T HN 0.476 nan 8.240 nan 0.000 0.455 166 K N 0.701 120.990 120.400 -0.186 0.000 1.984 166 K HA 0.111 4.443 4.320 0.022 0.000 0.209 166 K C 2.303 178.762 176.600 -0.236 0.000 1.046 166 K CA 1.078 57.257 56.287 -0.179 0.000 0.934 166 K CB -0.369 32.011 32.500 -0.199 0.000 0.717 166 K HN 0.257 nan 8.250 nan 0.000 0.438 167 I N 1.557 121.868 120.570 -0.433 0.000 2.300 167 I HA -0.318 3.865 4.170 0.022 0.000 0.252 167 I C 2.078 178.037 176.117 -0.263 0.000 1.119 167 I CA 1.411 62.341 61.300 -0.616 0.000 1.384 167 I CB -0.344 37.111 38.000 -0.909 0.000 1.062 167 I HN 0.187 nan 8.210 nan 0.000 0.426 168 L N -0.189 120.923 121.223 -0.185 0.000 2.341 168 L HA -0.082 4.271 4.340 0.022 0.000 0.214 168 L C 2.437 179.370 176.870 0.105 0.000 1.115 168 L CA 0.479 55.306 54.840 -0.022 0.000 0.820 168 L CB -0.543 41.471 42.059 -0.074 0.000 0.944 168 L HN 0.259 nan 8.230 nan 0.000 0.452 169 E N 1.081 121.304 120.200 0.038 0.000 2.086 169 E HA -0.265 4.098 4.350 0.022 0.000 0.205 169 E C -0.573 176.091 176.600 0.106 0.000 1.027 169 E CA 2.094 58.528 56.400 0.057 0.000 0.830 169 E CB -0.655 29.057 29.700 0.020 0.000 0.751 169 E HN 0.288 nan 8.360 nan 0.000 0.456 170 P HA -0.185 nan 4.420 nan 0.000 0.212 170 P C 1.203 178.592 177.300 0.149 0.000 1.178 170 P CA 1.365 64.550 63.100 0.142 0.000 0.915 170 P CB -0.300 31.514 31.700 0.190 0.000 0.788 171 F N 0.584 120.595 119.950 0.102 0.000 2.091 171 F HA -0.263 4.276 4.527 0.021 0.000 0.299 171 F C 2.317 178.146 175.800 0.048 0.000 1.103 171 F CA 1.720 59.770 58.000 0.084 0.000 1.228 171 F CB -0.405 38.718 39.000 0.206 0.000 0.984 171 F HN -0.257 nan 8.300 nan 0.000 0.477 172 R N 0.233 120.884 120.500 0.252 0.000 2.080 172 R HA -0.207 4.146 4.340 0.022 0.000 0.236 172 R C 2.171 178.477 176.300 0.010 0.000 1.137 172 R CA 2.015 58.192 56.100 0.128 0.000 0.943 172 R CB -0.617 29.758 30.300 0.126 0.000 0.846 172 R HN 0.233 nan 8.270 nan 0.000 0.431 173 K N 0.861 121.271 120.400 0.017 0.000 2.113 173 K HA -0.216 4.117 4.320 0.022 0.000 0.208 173 K C 2.258 178.824 176.600 -0.056 0.000 1.047 173 K CA 1.723 58.004 56.287 -0.010 0.000 0.928 173 K CB -0.046 32.458 32.500 0.006 0.000 0.716 173 K HN 0.264 nan 8.250 nan 0.000 0.446 174 Q N 0.375 120.111 119.800 -0.107 0.000 2.079 174 Q HA -0.057 4.296 4.340 0.022 0.000 0.200 174 Q C -0.097 175.785 176.000 -0.196 0.000 0.974 174 Q CA 1.098 56.804 55.803 -0.161 0.000 0.840 174 Q CB 0.042 28.646 28.738 -0.224 0.000 0.898 174 Q HN 0.453 nan 8.270 nan 0.000 0.430 175 N N 0.343 118.883 118.700 -0.266 0.000 2.851 175 N HA 0.161 4.914 4.740 0.022 0.000 0.248 175 N C -2.509 172.934 175.510 -0.111 0.000 1.221 175 N CA -1.274 51.646 53.050 -0.217 0.000 0.847 175 N CB 1.301 39.584 38.487 -0.341 0.000 1.150 175 N HN -0.015 nan 8.380 nan 0.000 0.507 176 P HA -0.186 nan 4.420 nan 0.000 0.217 176 P C 0.450 177.749 177.300 -0.002 0.000 1.148 176 P CA 1.377 64.466 63.100 -0.019 0.000 0.828 176 P CB 0.093 31.784 31.700 -0.016 0.000 0.783 177 D N -0.332 120.062 120.400 -0.010 0.000 2.494 177 D HA 0.086 4.739 4.640 0.022 0.000 0.249 177 D C 0.027 176.345 176.300 0.029 0.000 1.223 177 D CA -0.218 53.788 54.000 0.009 0.000 0.865 177 D CB -0.863 39.940 40.800 0.005 0.000 0.974 177 D HN 0.164 nan 8.370 nan 0.000 0.491 178 I N 0.305 120.899 120.570 0.040 0.000 2.512 178 I HA 0.155 4.338 4.170 0.022 0.000 0.287 178 I C -0.743 175.435 176.117 0.101 0.000 1.069 178 I CA -0.998 60.352 61.300 0.083 0.000 1.056 178 I CB 2.448 40.517 38.000 0.115 0.000 1.229 178 I HN -0.228 nan 8.210 nan 0.000 0.429 179 V N 7.176 127.149 119.914 0.099 0.000 2.427 179 V HA 0.529 4.662 4.120 0.022 0.000 0.286 179 V C -0.032 176.128 176.094 0.111 0.000 1.034 179 V CA -0.517 61.840 62.300 0.095 0.000 0.893 179 V CB 1.500 33.364 31.823 0.069 0.000 0.982 179 V HN 0.431 nan 8.190 nan 0.000 0.452 180 I N 5.101 125.740 120.570 0.116 0.000 2.410 180 I HA 0.368 4.551 4.170 0.022 0.000 0.286 180 I C -1.160 175.049 176.117 0.152 0.000 1.009 180 I CA -0.660 60.706 61.300 0.109 0.000 1.111 180 I CB 1.525 39.561 38.000 0.060 0.000 1.262 180 I HN 0.603 nan 8.210 nan 0.000 0.443 181 Y N 6.368 126.701 120.300 0.055 0.000 2.330 181 Y HA 0.402 4.965 4.550 0.022 0.000 0.336 181 Y C -0.297 175.691 175.900 0.148 0.000 1.036 181 Y CA -0.251 57.884 58.100 0.058 0.000 1.125 181 Y CB 1.072 39.501 38.460 -0.052 0.000 1.194 181 Y HN 0.464 nan 8.280 nan 0.000 0.469 182 Q N 5.746 125.153 119.800 -0.656 0.000 2.293 182 Q HA 0.275 4.628 4.340 0.022 0.000 0.261 182 Q C -2.101 173.462 176.000 -0.729 0.000 0.960 182 Q CA -0.635 54.880 55.803 -0.480 0.000 0.882 182 Q CB 1.690 30.291 28.738 -0.228 0.000 1.275 182 Q HN 0.844 nan 8.270 nan 0.000 0.445 183 Y N 4.604 124.664 120.300 -0.401 0.000 2.348 183 Y HA 0.272 4.836 4.550 0.022 0.000 0.321 183 Y C -0.039 175.851 175.900 -0.017 0.000 1.163 183 Y CA -0.375 57.627 58.100 -0.164 0.000 1.070 183 Y CB 0.658 39.174 38.460 0.094 0.000 1.250 183 Y HN 0.861 nan 8.280 nan 0.000 0.425 184 M N 2.106 121.216 119.600 -0.816 0.000 7.319 184 M HA -0.340 4.152 4.480 0.022 0.000 0.311 184 M C -0.190 175.795 176.300 -0.524 0.000 0.480 184 M CA 2.487 57.370 55.300 -0.694 0.000 1.311 184 M CB -0.799 31.430 32.600 -0.618 0.000 0.421 184 M HN 0.781 nan 8.290 nan 0.000 0.799 185 D N 1.172 121.342 120.400 -0.384 0.000 2.587 185 D HA 0.211 4.864 4.640 0.022 0.000 0.233 185 D C -0.713 175.543 176.300 -0.073 0.000 1.213 185 D CA 0.191 54.043 54.000 -0.247 0.000 0.827 185 D CB -0.272 40.381 40.800 -0.246 0.000 1.006 185 D HN 0.359 nan 8.370 nan 0.000 0.490 186 D N 1.101 121.478 120.400 -0.039 0.000 2.505 186 D HA 0.341 4.994 4.640 0.022 0.000 0.249 186 D C -0.085 176.157 176.300 -0.096 0.000 1.082 186 D CA -0.393 53.560 54.000 -0.078 0.000 0.839 186 D CB 2.773 43.590 40.800 0.027 0.000 1.317 186 D HN -0.041 nan 8.370 nan 0.000 0.497 187 L N 2.738 123.805 121.223 -0.260 0.000 2.305 187 L HA 0.348 4.701 4.340 0.022 0.000 0.284 187 L C -1.003 175.677 176.870 -0.317 0.000 1.013 187 L CA -0.858 53.876 54.840 -0.176 0.000 0.819 187 L CB 0.930 42.891 42.059 -0.162 0.000 1.227 187 L HN 0.286 nan 8.230 nan 0.000 0.417 188 Y N 2.805 123.068 120.300 -0.062 0.000 2.587 188 Y HA 0.362 4.925 4.550 0.022 0.000 0.328 188 Y C 0.022 175.910 175.900 -0.019 0.000 0.980 188 Y CA -0.752 57.301 58.100 -0.077 0.000 1.272 188 Y CB 1.362 39.772 38.460 -0.085 0.000 1.094 188 Y HN 0.189 nan 8.280 nan 0.000 0.503 189 V N 3.075 123.031 119.914 0.071 0.000 2.370 189 V HA 0.827 4.960 4.120 0.022 0.000 0.279 189 V C 0.499 176.699 176.094 0.177 0.000 1.029 189 V CA -0.573 61.781 62.300 0.091 0.000 0.870 189 V CB 1.037 32.870 31.823 0.016 0.000 0.984 189 V HN 0.841 nan 8.190 nan 0.000 0.451 190 G N 2.921 111.829 108.800 0.180 0.000 2.714 190 G HA2 0.879 4.852 3.960 0.022 0.000 0.292 190 G HA3 0.879 4.852 3.960 0.022 0.000 0.292 190 G C -0.650 174.389 174.900 0.232 0.000 1.308 190 G CA -0.011 45.231 45.100 0.236 0.000 0.964 190 G HN 1.084 nan 8.290 nan 0.000 0.484 191 S N -1.642 114.192 115.700 0.224 0.000 2.683 191 S HA 0.483 4.966 4.470 0.022 0.000 0.269 191 S C -1.302 173.364 174.600 0.110 0.000 1.165 191 S CA -0.576 57.733 58.200 0.181 0.000 0.840 191 S CB 1.804 65.174 63.200 0.285 0.000 1.169 191 S HN 0.311 nan 8.310 nan 0.000 0.490 192 D N 0.368 120.821 120.400 0.088 0.000 2.479 192 D HA 0.388 5.041 4.640 0.022 0.000 0.218 192 D C 0.263 176.598 176.300 0.058 0.000 1.177 192 D CA -0.044 53.987 54.000 0.052 0.000 0.830 192 D CB 0.219 41.037 40.800 0.031 0.000 1.014 192 D HN 0.417 nan 8.370 nan 0.000 0.503 193 L N 0.924 122.205 121.223 0.096 0.000 2.476 193 L HA 0.125 4.477 4.340 0.022 0.000 0.255 193 L C 0.974 177.896 176.870 0.085 0.000 1.218 193 L CA -0.443 54.453 54.840 0.093 0.000 0.819 193 L CB 0.549 42.683 42.059 0.126 0.000 1.119 193 L HN -0.231 nan 8.230 nan 0.000 0.485 194 E N 1.204 121.447 120.200 0.071 0.000 2.360 194 E HA 0.016 4.378 4.350 0.022 0.000 0.269 194 E C 1.034 177.686 176.600 0.087 0.000 1.022 194 E CA -0.038 56.397 56.400 0.058 0.000 0.887 194 E CB 0.952 30.679 29.700 0.044 0.000 0.990 194 E HN 0.551 nan 8.360 nan 0.000 0.426 195 I N 0.197 120.801 120.570 0.057 0.000 2.229 195 I HA -0.271 3.912 4.170 0.022 0.000 0.250 195 I C 1.553 177.741 176.117 0.118 0.000 1.096 195 I CA 2.219 63.558 61.300 0.065 0.000 1.358 195 I CB -0.369 37.642 38.000 0.018 0.000 1.047 195 I HN 0.439 nan 8.210 nan 0.000 0.422 196 G N 0.183 109.034 108.800 0.086 0.000 2.434 196 G HA2 -0.203 3.770 3.960 0.022 0.000 0.214 196 G HA3 -0.203 3.770 3.960 0.022 0.000 0.214 196 G C 1.520 176.477 174.900 0.094 0.000 1.202 196 G CA 0.608 45.756 45.100 0.079 0.000 0.788 196 G HN 0.432 nan 8.290 nan 0.000 0.539 197 Q N -0.039 119.814 119.800 0.088 0.000 2.096 197 Q HA -0.232 4.121 4.340 0.022 0.000 0.208 197 Q C 2.159 178.221 176.000 0.104 0.000 0.993 197 Q CA 2.184 58.035 55.803 0.080 0.000 0.862 197 Q CB -0.609 28.171 28.738 0.069 0.000 0.915 197 Q HN 0.779 nan 8.270 nan 0.000 0.416 198 H N 0.498 119.597 119.070 0.050 0.000 2.253 198 H HA -0.116 4.453 4.556 0.022 0.000 0.296 198 H C 2.224 177.593 175.328 0.069 0.000 1.074 198 H CA 2.429 58.515 56.048 0.063 0.000 1.263 198 H CB -0.064 29.732 29.762 0.057 0.000 1.363 198 H HN 0.050 nan 8.280 nan 0.000 0.489 199 R N 0.127 120.774 120.500 0.245 0.000 2.117 199 R HA -0.146 4.207 4.340 0.022 0.000 0.243 199 R C 1.817 178.161 176.300 0.073 0.000 1.143 199 R CA 2.028 58.225 56.100 0.162 0.000 0.968 199 R CB -0.767 29.622 30.300 0.147 0.000 0.863 199 R HN 0.457 nan 8.270 nan 0.000 0.444 200 T N 1.666 116.261 114.554 0.069 0.000 2.643 200 T HA -0.080 4.283 4.350 0.022 0.000 0.264 200 T C 1.776 176.509 174.700 0.054 0.000 1.045 200 T CA 1.315 63.448 62.100 0.055 0.000 1.155 200 T CB -0.088 68.811 68.868 0.051 0.000 0.863 200 T HN 0.214 nan 8.240 nan 0.000 0.420 201 K N 0.686 121.113 120.400 0.046 0.000 2.113 201 K HA -0.040 4.293 4.320 0.022 0.000 0.208 201 K C 2.192 178.855 176.600 0.106 0.000 1.047 201 K CA 0.912 57.259 56.287 0.101 0.000 0.928 201 K CB -0.734 31.808 32.500 0.070 0.000 0.716 201 K HN 0.267 nan 8.250 nan 0.000 0.446 202 I N 1.592 122.146 120.570 -0.027 0.000 2.118 202 I HA -0.282 3.901 4.170 0.022 0.000 0.241 202 I C 2.480 178.587 176.117 -0.017 0.000 1.070 202 I CA 1.484 62.748 61.300 -0.059 0.000 1.327 202 I CB -0.551 37.422 38.000 -0.045 0.000 1.034 202 I HN 0.174 nan 8.210 nan 0.000 0.405 203 E N 0.676 120.888 120.200 0.020 0.000 2.038 203 E HA -0.288 4.075 4.350 0.022 0.000 0.195 203 E C 2.184 178.814 176.600 0.050 0.000 1.000 203 E CA 1.930 58.348 56.400 0.030 0.000 0.803 203 E CB -0.367 29.357 29.700 0.040 0.000 0.750 203 E HN 0.527 nan 8.360 nan 0.000 0.448 204 E N -0.104 120.154 120.200 0.096 0.000 2.049 204 E HA -0.222 4.141 4.350 0.022 0.000 0.198 204 E C 2.175 178.876 176.600 0.168 0.000 1.007 204 E CA 1.437 57.933 56.400 0.161 0.000 0.809 204 E CB -0.383 29.462 29.700 0.242 0.000 0.749 204 E HN 0.362 nan 8.360 nan 0.000 0.450 205 L N 1.018 122.277 121.223 0.060 0.000 1.989 205 L HA -0.229 4.124 4.340 0.022 0.000 0.211 205 L C 2.547 179.318 176.870 -0.166 0.000 1.071 205 L CA 1.818 56.438 54.840 -0.367 0.000 0.749 205 L CB -0.658 40.936 42.059 -0.775 0.000 0.890 205 L HN 0.257 nan 8.230 nan 0.000 0.431 206 R N -0.515 119.925 120.500 -0.100 0.000 2.122 206 R HA -0.247 4.106 4.340 0.022 0.000 0.236 206 R C 2.228 178.529 176.300 0.001 0.000 1.129 206 R CA 2.215 58.280 56.100 -0.058 0.000 0.925 206 R CB -0.498 29.787 30.300 -0.026 0.000 0.850 206 R HN 0.566 nan 8.270 nan 0.000 0.431 207 Q N -0.746 119.078 119.800 0.040 0.000 2.133 207 Q HA -0.280 4.073 4.340 0.022 0.000 0.208 207 Q C 2.119 178.195 176.000 0.128 0.000 0.991 207 Q CA 1.987 57.831 55.803 0.067 0.000 0.867 207 Q CB -0.380 28.399 28.738 0.068 0.000 0.911 207 Q HN 0.610 nan 8.270 nan 0.000 0.417 208 H N 0.352 119.443 119.070 0.035 0.000 2.290 208 H HA -0.156 4.413 4.556 0.021 0.000 0.298 208 H C 2.179 177.606 175.328 0.165 0.000 1.087 208 H CA 1.348 57.455 56.048 0.099 0.000 1.291 208 H CB -0.008 29.816 29.762 0.103 0.000 1.369 208 H HN 0.165 nan 8.280 nan 0.000 0.492 209 L N 0.495 121.743 121.223 0.041 0.000 1.990 209 L HA -0.258 4.095 4.340 0.022 0.000 0.213 209 L C 2.806 179.737 176.870 0.100 0.000 1.072 209 L CA 0.760 55.593 54.840 -0.012 0.000 0.755 209 L CB -0.623 41.375 42.059 -0.102 0.000 0.889 209 L HN 0.397 nan 8.230 nan 0.000 0.432 210 L N -0.100 121.159 121.223 0.060 0.000 2.064 210 L HA -0.299 4.054 4.340 0.022 0.000 0.216 210 L C 2.819 179.709 176.870 0.034 0.000 1.077 210 L CA 1.916 56.782 54.840 0.043 0.000 0.766 210 L CB -1.114 40.962 42.059 0.029 0.000 0.890 210 L HN 0.385 nan 8.230 nan 0.000 0.435 211 R N -1.308 119.206 120.500 0.023 0.000 2.091 211 R HA -0.217 4.135 4.340 0.022 0.000 0.238 211 R C 1.740 177.910 176.300 -0.217 0.000 1.136 211 R CA 1.890 57.910 56.100 -0.135 0.000 0.959 211 R CB -0.303 29.866 30.300 -0.219 0.000 0.856 211 R HN 0.415 nan 8.270 nan 0.000 0.437 212 W N -0.244 121.055 121.300 -0.002 0.000 3.438 212 W HA 0.219 4.892 4.660 0.022 0.000 0.322 212 W C 1.160 177.658 176.519 -0.036 0.000 1.261 212 W CA 0.441 57.769 57.345 -0.029 0.000 1.788 212 W CB 0.237 29.650 29.460 -0.078 0.000 1.065 212 W HN 0.309 nan 8.180 nan 0.000 0.715 213 G N 0.453 109.331 108.800 0.130 0.000 2.184 213 G HA2 -0.339 3.634 3.960 0.022 0.000 0.264 213 G HA3 -0.339 3.634 3.960 0.022 0.000 0.264 213 G C 0.229 175.172 174.900 0.073 0.000 0.975 213 G CA -0.227 44.925 45.100 0.086 0.000 0.642 213 G HN 0.215 nan 8.290 nan 0.000 0.536 214 L N 3.162 124.428 121.223 0.072 0.000 2.536 214 L HA 0.237 4.590 4.340 0.022 0.000 0.282 214 L C 1.285 178.160 176.870 0.008 0.000 1.174 214 L CA 0.257 55.107 54.840 0.016 0.000 0.989 214 L CB -0.243 41.790 42.059 -0.045 0.000 1.311 214 L HN 0.373 nan 8.230 nan 0.000 0.455 215 T N -0.466 114.100 114.554 0.020 0.000 2.928 215 T HA 0.200 4.562 4.350 0.022 0.000 0.305 215 T C 0.367 175.067 174.700 -0.001 0.000 1.035 215 T CA -0.522 61.587 62.100 0.015 0.000 1.145 215 T CB 1.091 69.973 68.868 0.024 0.000 0.963 215 T HN 0.383 nan 8.240 nan 0.000 0.545 216 T N 3.372 117.923 114.554 -0.006 0.000 2.930 216 T HA 0.578 4.941 4.350 0.022 0.000 0.290 216 T C -2.318 172.381 174.700 -0.002 0.000 1.052 216 T CA -1.123 60.967 62.100 -0.017 0.000 1.017 216 T CB 1.238 70.087 68.868 -0.032 0.000 1.137 216 T HN 0.602 nan 8.240 nan 0.000 0.511 217 P HA -0.054 nan 4.420 nan 0.000 0.271 217 P C -0.970 176.363 177.300 0.055 0.000 1.179 217 P CA 0.336 63.455 63.100 0.032 0.000 0.766 217 P CB 0.348 32.069 31.700 0.035 0.000 0.789 218 D N 0.138 120.597 120.400 0.099 0.000 2.278 218 D HA 0.150 4.803 4.640 0.022 0.000 0.245 218 D C 0.958 177.313 176.300 0.091 0.000 1.052 218 D CA -0.746 53.312 54.000 0.096 0.000 0.834 218 D CB 0.986 41.868 40.800 0.136 0.000 1.194 218 D HN 0.098 nan 8.370 nan 0.000 0.481 219 K N 1.853 122.287 120.400 0.057 0.000 2.259 219 K HA -0.241 4.092 4.320 0.022 0.000 0.206 219 K C 1.393 178.012 176.600 0.032 0.000 1.044 219 K CA 1.322 57.636 56.287 0.045 0.000 0.931 219 K CB 0.109 32.628 32.500 0.032 0.000 0.726 219 K HN 0.446 nan 8.250 nan 0.000 0.467 220 K N -0.256 120.147 120.400 0.004 0.000 2.057 220 K HA -0.098 4.235 4.320 0.022 0.000 0.206 220 K C 1.807 178.356 176.600 -0.085 0.000 1.050 220 K CA 1.009 57.253 56.287 -0.072 0.000 0.935 220 K CB -0.090 32.312 32.500 -0.163 0.000 0.715 220 K HN 0.330 nan 8.250 nan 0.000 0.439 221 H N 0.743 119.830 119.070 0.028 0.000 2.555 221 H HA 0.058 4.627 4.556 0.021 0.000 0.269 221 H C 0.392 175.744 175.328 0.041 0.000 0.988 221 H CA 0.372 56.440 56.048 0.033 0.000 1.178 221 H CB 0.274 30.052 29.762 0.028 0.000 1.373 221 H HN 0.125 nan 8.280 nan 0.000 0.588 222 Q N 2.222 122.104 119.800 0.138 0.000 2.239 222 Q HA -0.008 4.345 4.340 0.022 0.000 0.286 222 Q C 0.133 176.205 176.000 0.119 0.000 1.102 222 Q CA 0.674 56.542 55.803 0.109 0.000 0.936 222 Q CB 0.370 29.157 28.738 0.083 0.000 1.127 222 Q HN 0.395 nan 8.270 nan 0.000 0.380 223 K N 2.617 123.107 120.400 0.150 0.000 2.144 223 K HA 0.309 4.642 4.320 0.022 0.000 0.270 223 K C 0.028 176.782 176.600 0.257 0.000 1.005 223 K CA -0.538 55.882 56.287 0.220 0.000 0.932 223 K CB 1.056 33.734 32.500 0.297 0.000 1.021 223 K HN 0.364 nan 8.250 nan 0.000 0.462 224 E N 1.851 122.142 120.200 0.151 0.000 2.312 224 E HA 0.372 4.735 4.350 0.022 0.000 0.267 224 E C -2.532 173.810 176.600 -0.429 0.000 0.894 224 E CA -2.355 54.034 56.400 -0.019 0.000 0.773 224 E CB 1.666 31.355 29.700 -0.018 0.000 1.241 224 E HN 0.302 nan 8.360 nan 0.000 0.432 225 P HA 0.150 nan 4.420 nan 0.000 0.272 225 P C -2.138 174.880 177.300 -0.471 0.000 1.230 225 P CA -0.733 61.754 63.100 -1.021 0.000 0.788 225 P CB -0.104 31.251 31.700 -0.575 0.000 0.949 226 P HA 0.214 nan 4.420 nan 0.000 0.277 226 P C -1.088 175.820 177.300 -0.653 0.000 1.276 226 P CA 0.183 62.844 63.100 -0.731 0.000 0.788 226 P CB 0.462 31.547 31.700 -1.025 0.000 1.114 227 F N -1.491 118.432 119.950 -0.047 0.000 2.532 227 F HA 0.383 4.923 4.527 0.021 0.000 0.321 227 F C 0.400 176.267 175.800 0.113 0.000 1.089 227 F CA -0.901 57.137 58.000 0.063 0.000 0.926 227 F CB 1.274 40.330 39.000 0.094 0.000 1.168 227 F HN -0.022 nan 8.300 nan 0.000 0.459 228 L N 2.898 124.340 121.223 0.365 0.000 2.312 228 L HA 0.122 4.475 4.340 0.022 0.000 0.287 228 L C -0.627 176.486 176.870 0.405 0.000 1.091 228 L CA 0.024 55.047 54.840 0.304 0.000 0.846 228 L CB 0.475 42.662 42.059 0.213 0.000 1.219 228 L HN 0.680 nan 8.230 nan 0.000 0.439 229 W N 7.231 128.584 121.300 0.090 0.000 2.227 229 W HA 0.277 4.950 4.660 0.021 0.000 0.308 229 W C -0.557 175.996 176.519 0.057 0.000 0.882 229 W CA -1.269 56.074 57.345 -0.004 0.000 1.707 229 W CB 0.892 30.296 29.460 -0.094 0.000 1.782 229 W HN 0.512 nan 8.180 nan 0.000 0.385 230 M N 3.113 122.692 119.600 -0.035 0.000 3.980 230 M HA -0.224 4.269 4.480 0.022 0.000 0.157 230 M C 0.998 177.311 176.300 0.022 0.000 1.523 230 M CA 1.975 57.194 55.300 -0.135 0.000 1.077 230 M CB -1.450 30.951 32.600 -0.332 0.000 1.342 230 M HN 0.688 nan 8.290 nan 0.000 0.263 231 G N -0.271 108.527 108.800 -0.004 0.000 2.205 231 G HA2 -0.302 3.671 3.960 0.022 0.000 0.261 231 G HA3 -0.302 3.671 3.960 0.022 0.000 0.261 231 G C -0.304 174.563 174.900 -0.054 0.000 0.980 231 G CA 0.308 45.424 45.100 0.027 0.000 0.632 231 G HN 0.770 nan 8.290 nan 0.000 0.533 232 Y N 0.358 120.755 120.300 0.162 0.000 2.499 232 Y HA 0.649 5.212 4.550 0.021 0.000 0.347 232 Y C 0.236 176.239 175.900 0.172 0.000 0.987 232 Y CA -0.991 57.212 58.100 0.171 0.000 1.044 232 Y CB 1.674 40.191 38.460 0.094 0.000 1.245 232 Y HN 0.103 nan 8.280 nan 0.000 0.461 233 E N 3.332 123.730 120.200 0.330 0.000 2.145 233 E HA 0.425 4.788 4.350 0.022 0.000 0.270 233 E C -1.434 175.264 176.600 0.163 0.000 0.906 233 E CA -0.700 55.797 56.400 0.162 0.000 0.761 233 E CB 1.232 30.986 29.700 0.090 0.000 1.116 233 E HN 0.296 nan 8.360 nan 0.000 0.408 234 L N 4.383 125.663 121.223 0.094 0.000 2.305 234 L HA 0.377 4.730 4.340 0.022 0.000 0.284 234 L C -0.118 176.751 176.870 -0.002 0.000 1.013 234 L CA -0.421 54.537 54.840 0.195 0.000 0.819 234 L CB 0.662 42.910 42.059 0.316 0.000 1.227 234 L HN 0.537 nan 8.230 nan 0.000 0.417 235 H N 4.674 123.890 119.070 0.244 0.000 2.469 235 H HA 0.256 4.824 4.556 0.021 0.000 0.342 235 H C -1.586 173.927 175.328 0.307 0.000 1.115 235 H CA -1.597 54.548 56.048 0.161 0.000 1.204 235 H CB 2.189 32.003 29.762 0.086 0.000 1.492 235 H HN 0.324 nan 8.280 nan 0.000 0.499 236 P HA -0.211 nan 4.420 nan 0.000 0.219 236 P C 0.653 178.141 177.300 0.315 0.000 1.144 236 P CA 1.354 64.592 63.100 0.230 0.000 0.806 236 P CB 0.403 32.173 31.700 0.117 0.000 0.771 237 D N -0.249 120.339 120.400 0.313 0.000 2.137 237 D HA -0.042 4.611 4.640 0.022 0.000 0.202 237 D C 1.184 177.669 176.300 0.309 0.000 0.970 237 D CA 1.016 55.164 54.000 0.246 0.000 0.837 237 D CB 0.044 40.915 40.800 0.119 0.000 0.981 237 D HN 0.324 nan 8.370 nan 0.000 0.475 238 K N -0.459 120.112 120.400 0.284 0.000 2.680 238 K HA 0.159 4.492 4.320 0.022 0.000 0.295 238 K C -1.491 175.084 176.600 -0.041 0.000 1.052 238 K CA -0.925 55.308 56.287 -0.090 0.000 0.863 238 K CB 1.041 33.432 32.500 -0.181 0.000 1.549 238 K HN 0.211 nan 8.250 nan 0.000 0.391 239 W N 0.400 121.516 121.300 -0.306 0.000 2.655 239 W HA 0.722 5.394 4.660 0.020 0.000 0.358 239 W C -1.104 175.381 176.519 -0.056 0.000 1.100 239 W CA -0.937 56.348 57.345 -0.099 0.000 1.195 239 W CB 0.804 30.159 29.460 -0.175 0.000 1.403 239 W HN 0.705 nan 8.180 nan 0.000 0.589 240 T N -1.416 113.343 114.554 0.341 0.000 2.916 240 T HA 0.473 4.836 4.350 0.022 0.000 0.305 240 T C -1.104 173.781 174.700 0.309 0.000 1.119 240 T CA -0.727 61.385 62.100 0.019 0.000 1.008 240 T CB 1.706 70.386 68.868 -0.314 0.000 1.129 240 T HN 0.374 nan 8.240 nan 0.000 0.480 241 V N 2.932 122.976 119.914 0.217 0.000 2.461 241 V HA 0.243 4.376 4.120 0.022 0.000 0.275 241 V C 0.768 176.939 176.094 0.128 0.000 1.047 241 V CA -0.691 61.679 62.300 0.117 0.000 0.955 241 V CB 0.883 32.717 31.823 0.018 0.000 0.988 241 V HN 0.909 nan 8.190 nan 0.000 0.471 242 Q N 6.181 126.048 119.800 0.111 0.000 2.283 242 Q HA 0.087 4.440 4.340 0.022 0.000 0.301 242 Q C -1.989 174.101 176.000 0.150 0.000 1.063 242 Q CA -0.995 54.881 55.803 0.121 0.000 0.952 242 Q CB 0.288 29.083 28.738 0.096 0.000 1.166 242 Q HN 0.541 nan 8.270 nan 0.000 0.381 243 P HA -0.010 nan 4.420 nan 0.000 0.268 243 P C -0.598 176.755 177.300 0.088 0.000 1.282 243 P CA 0.380 63.556 63.100 0.126 0.000 0.880 243 P CB 0.096 31.856 31.700 0.101 0.000 0.971 244 I N 5.027 125.648 120.570 0.085 0.000 2.474 244 I HA 0.135 4.318 4.170 0.022 0.000 0.287 244 I C -0.051 176.078 176.117 0.020 0.000 1.048 244 I CA -0.729 60.604 61.300 0.056 0.000 1.383 244 I CB 1.190 39.242 38.000 0.086 0.000 1.412 244 I HN 0.102 nan 8.210 nan 0.000 0.531 245 V N 6.477 126.406 119.914 0.025 0.000 2.435 245 V HA 0.513 4.646 4.120 0.022 0.000 0.290 245 V C -0.494 175.623 176.094 0.038 0.000 1.030 245 V CA -0.747 61.568 62.300 0.024 0.000 0.881 245 V CB 1.343 33.180 31.823 0.024 0.000 0.983 245 V HN 0.598 nan 8.190 nan 0.000 0.445 246 L N 6.949 128.201 121.223 0.047 0.000 2.265 246 L HA 0.556 4.908 4.340 0.022 0.000 0.289 246 L C -1.951 174.989 176.870 0.117 0.000 1.033 246 L CA -1.545 53.353 54.840 0.096 0.000 0.814 246 L CB 1.721 43.830 42.059 0.084 0.000 1.203 246 L HN 0.544 nan 8.230 nan 0.000 0.423 247 P HA 0.140 nan 4.420 nan 0.000 0.279 247 P C -0.876 176.488 177.300 0.105 0.000 1.239 247 P CA -0.435 62.700 63.100 0.057 0.000 0.789 247 P CB 1.513 33.193 31.700 -0.033 0.000 0.933 248 E N 2.497 122.732 120.200 0.058 0.000 2.167 248 E HA 0.283 4.646 4.350 0.022 0.000 0.284 248 E C -0.563 176.011 176.600 -0.045 0.000 1.016 248 E CA -0.257 56.204 56.400 0.102 0.000 0.817 248 E CB 0.566 30.313 29.700 0.079 0.000 1.080 248 E HN 0.254 nan 8.360 nan 0.000 0.397 249 K N 2.452 122.792 120.400 -0.099 0.000 2.399 249 K HA 0.365 4.698 4.320 0.022 0.000 0.260 249 K C -0.751 175.771 176.600 -0.130 0.000 1.049 249 K CA -0.672 55.423 56.287 -0.320 0.000 0.890 249 K CB 1.282 33.259 32.500 -0.871 0.000 1.430 249 K HN 0.526 nan 8.250 nan 0.000 0.459 250 D N -0.532 119.765 120.400 -0.171 0.000 2.540 250 D HA 0.051 4.704 4.640 0.022 0.000 0.229 250 D C -0.636 175.640 176.300 -0.039 0.000 1.250 250 D CA -0.017 53.971 54.000 -0.020 0.000 0.817 250 D CB 1.148 41.944 40.800 -0.008 0.000 1.060 250 D HN 0.186 nan 8.370 nan 0.000 0.508 251 S N 0.474 116.046 115.700 -0.215 0.000 2.680 251 S HA 0.394 4.877 4.470 0.022 0.000 0.262 251 S C -2.171 172.274 174.600 -0.258 0.000 1.138 251 S CA -0.653 57.469 58.200 -0.128 0.000 1.072 251 S CB 0.240 63.374 63.200 -0.109 0.000 1.097 251 S HN 0.180 nan 8.310 nan 0.000 0.468 252 W N 3.758 125.057 121.300 -0.002 0.000 2.318 252 W HA 0.444 5.118 4.660 0.023 0.000 0.315 252 W C 0.914 177.432 176.519 -0.001 0.000 1.033 252 W CA -0.617 56.727 57.345 -0.002 0.000 1.275 252 W CB 1.306 30.765 29.460 -0.002 0.000 1.250 252 W HN 0.643 nan 8.180 nan 0.000 0.421 253 T N -1.652 113.011 114.554 0.181 0.000 2.788 253 T HA 0.211 4.574 4.350 0.022 0.000 0.280 253 T C 0.991 175.770 174.700 0.132 0.000 0.984 253 T CA -0.627 61.543 62.100 0.117 0.000 0.972 253 T CB 1.107 70.011 68.868 0.060 0.000 1.039 253 T HN 0.191 nan 8.240 nan 0.000 0.530 254 V N 1.861 121.826 119.914 0.085 0.000 2.343 254 V HA -0.184 3.949 4.120 0.022 0.000 0.247 254 V C 2.692 178.829 176.094 0.072 0.000 1.051 254 V CA 2.279 64.620 62.300 0.069 0.000 1.036 254 V CB -1.506 30.344 31.823 0.045 0.000 0.654 254 V HN 0.875 nan 8.190 nan 0.000 0.451 255 N N 0.369 119.107 118.700 0.064 0.000 2.036 255 N HA -0.229 4.524 4.740 0.022 0.000 0.195 255 N C 1.543 177.104 175.510 0.085 0.000 1.037 255 N CA 1.800 54.885 53.050 0.057 0.000 0.855 255 N CB -0.290 38.222 38.487 0.042 0.000 1.033 255 N HN 0.484 nan 8.380 nan 0.000 0.423 256 D N 0.582 121.054 120.400 0.121 0.000 2.133 256 D HA -0.150 4.503 4.640 0.022 0.000 0.195 256 D C 1.853 178.300 176.300 0.245 0.000 0.997 256 D CA 0.989 55.111 54.000 0.204 0.000 0.840 256 D CB -0.313 40.654 40.800 0.278 0.000 0.947 256 D HN 0.421 nan 8.370 nan 0.000 0.452 257 I N 0.429 121.108 120.570 0.183 0.000 2.353 257 I HA -0.203 3.980 4.170 0.022 0.000 0.248 257 I C 2.375 178.523 176.117 0.052 0.000 1.119 257 I CA 0.762 62.114 61.300 0.087 0.000 1.417 257 I CB -0.272 37.750 38.000 0.037 0.000 1.078 257 I HN -0.040 nan 8.210 nan 0.000 0.421 258 Q N 1.301 121.136 119.800 0.057 0.000 1.990 258 Q HA -0.176 4.176 4.340 0.022 0.000 0.200 258 Q C 2.224 178.252 176.000 0.047 0.000 0.980 258 Q CA 1.322 57.150 55.803 0.042 0.000 0.832 258 Q CB -0.201 28.560 28.738 0.037 0.000 0.897 258 Q HN 0.433 nan 8.270 nan 0.000 0.427 259 K N 0.589 121.022 120.400 0.056 0.000 2.044 259 K HA -0.214 4.119 4.320 0.022 0.000 0.210 259 K C 2.113 178.750 176.600 0.062 0.000 1.049 259 K CA 1.272 57.590 56.287 0.052 0.000 0.927 259 K CB -0.344 32.190 32.500 0.055 0.000 0.713 259 K HN 0.043 nan 8.250 nan 0.000 0.443 260 L N 1.153 122.427 121.223 0.086 0.000 1.955 260 L HA -0.208 4.145 4.340 0.022 0.000 0.213 260 L C 2.092 178.989 176.870 0.045 0.000 1.072 260 L CA 1.629 56.517 54.840 0.081 0.000 0.755 260 L CB -0.704 41.409 42.059 0.090 0.000 0.888 260 L HN -0.041 nan 8.230 nan 0.000 0.432 261 V N 0.483 120.413 119.914 0.026 0.000 2.370 261 V HA -0.334 3.799 4.120 0.022 0.000 0.252 261 V C 2.573 178.695 176.094 0.047 0.000 1.068 261 V CA 1.909 64.221 62.300 0.020 0.000 1.061 261 V CB -1.844 29.986 31.823 0.013 0.000 0.656 261 V HN 0.708 nan 8.190 nan 0.000 0.455 262 G N -0.234 108.599 108.800 0.055 0.000 2.552 262 G HA2 -0.268 3.705 3.960 0.022 0.000 0.216 262 G HA3 -0.268 3.705 3.960 0.022 0.000 0.216 262 G C 1.577 176.544 174.900 0.112 0.000 1.240 262 G CA 1.044 46.188 45.100 0.074 0.000 0.796 262 G HN 0.478 nan 8.290 nan 0.000 0.568 263 K N -0.245 120.211 120.400 0.093 0.000 2.089 263 K HA -0.087 4.246 4.320 0.022 0.000 0.210 263 K C 2.480 179.182 176.600 0.170 0.000 1.048 263 K CA 0.985 57.347 56.287 0.124 0.000 0.926 263 K CB -0.339 32.206 32.500 0.075 0.000 0.714 263 K HN 0.132 nan 8.250 nan 0.000 0.448 264 L N 1.932 123.215 121.223 0.100 0.000 1.970 264 L HA -0.247 4.106 4.340 0.022 0.000 0.212 264 L C 2.292 179.216 176.870 0.090 0.000 1.071 264 L CA 1.656 56.537 54.840 0.067 0.000 0.751 264 L CB -1.556 40.517 42.059 0.023 0.000 0.889 264 L HN 0.412 nan 8.230 nan 0.000 0.432 265 N N -0.372 118.388 118.700 0.099 0.000 2.060 265 N HA -0.285 4.468 4.740 0.022 0.000 0.195 265 N C 1.973 177.559 175.510 0.126 0.000 1.028 265 N CA 1.883 54.992 53.050 0.098 0.000 0.861 265 N CB -0.269 38.281 38.487 0.105 0.000 1.029 265 N HN 0.559 nan 8.380 nan 0.000 0.428 266 W N 1.849 123.164 121.300 0.025 0.000 2.335 266 W HA -0.195 4.479 4.660 0.025 0.000 0.311 266 W C 1.961 178.507 176.519 0.045 0.000 1.213 266 W CA 1.956 59.319 57.345 0.029 0.000 1.274 266 W CB -0.553 28.916 29.460 0.015 0.000 1.148 266 W HN 0.119 nan 8.180 nan 0.000 0.498 267 A N 0.764 123.584 122.820 -0.000 0.000 2.019 267 A HA -0.171 4.162 4.320 0.022 0.000 0.219 267 A C 2.029 179.594 177.584 -0.031 0.000 1.164 267 A CA 1.958 53.986 52.037 -0.015 0.000 0.644 267 A CB -1.089 17.971 19.000 0.101 0.000 0.805 267 A HN 0.324 nan 8.150 nan 0.000 0.449 268 S N 0.011 115.686 115.700 -0.041 0.000 2.420 268 S HA -0.199 4.284 4.470 0.022 0.000 0.237 268 S C 2.005 176.541 174.600 -0.106 0.000 1.023 268 S CA 1.382 59.557 58.200 -0.040 0.000 0.991 268 S CB -0.260 62.928 63.200 -0.019 0.000 0.792 268 S HN 0.642 nan 8.310 nan 0.000 0.488 269 Q N 0.408 120.083 119.800 -0.208 0.000 2.049 269 Q HA 0.033 4.386 4.340 0.022 0.000 0.198 269 Q C 2.197 178.042 176.000 -0.260 0.000 0.971 269 Q CA 1.089 56.728 55.803 -0.273 0.000 0.833 269 Q CB -0.304 28.199 28.738 -0.391 0.000 0.896 269 Q HN 0.572 nan 8.270 nan 0.000 0.434 270 I N -1.145 119.276 120.570 -0.249 0.000 2.368 270 I HA -0.146 4.037 4.170 0.022 0.000 0.238 270 I C 0.403 176.422 176.117 -0.164 0.000 1.076 270 I CA 0.364 61.538 61.300 -0.209 0.000 1.397 270 I CB -0.310 37.523 38.000 -0.279 0.000 1.141 270 I HN -0.042 nan 8.210 nan 0.000 0.430 271 Y N 2.512 122.760 120.300 -0.088 0.000 2.436 271 Y HA 0.219 4.781 4.550 0.020 0.000 0.336 271 Y C -2.180 173.686 175.900 -0.057 0.000 1.049 271 Y CA -2.381 55.690 58.100 -0.048 0.000 1.294 271 Y CB -0.440 38.001 38.460 -0.032 0.000 1.179 271 Y HN -0.047 nan 8.280 nan 0.000 0.520 272 P HA 0.263 nan 4.420 nan 0.000 0.282 272 P C 0.638 177.964 177.300 0.042 0.000 1.274 272 P CA 0.481 63.600 63.100 0.031 0.000 0.770 272 P CB 1.120 32.826 31.700 0.010 0.000 0.867 273 G N 3.232 112.042 108.800 0.017 0.000 2.380 273 G HA2 -0.166 3.807 3.960 0.022 0.000 0.197 273 G HA3 -0.166 3.807 3.960 0.022 0.000 0.197 273 G C 0.154 175.053 174.900 -0.002 0.000 1.001 273 G CA -0.599 44.505 45.100 0.007 0.000 0.668 273 G HN 0.400 nan 8.290 nan 0.000 0.483 274 I N 1.343 121.915 120.570 0.003 0.000 2.880 274 I HA 0.299 4.482 4.170 0.022 0.000 0.296 274 I C 0.619 176.726 176.117 -0.016 0.000 1.220 274 I CA 0.996 62.289 61.300 -0.012 0.000 1.435 274 I CB 0.323 38.320 38.000 -0.005 0.000 1.339 274 I HN 0.227 nan 8.210 nan 0.000 0.583 275 K N 3.582 123.968 120.400 -0.024 0.000 2.523 275 K HA 0.473 4.806 4.320 0.022 0.000 0.257 275 K C -0.110 176.471 176.600 -0.032 0.000 0.932 275 K CA -0.549 55.723 56.287 -0.025 0.000 0.812 275 K CB 2.739 35.222 32.500 -0.028 0.000 1.326 275 K HN 0.374 nan 8.250 nan 0.000 0.433 276 V N -1.003 118.895 119.914 -0.027 0.000 3.330 276 V HA 0.224 4.357 4.120 0.022 0.000 0.309 276 V C 1.566 177.639 176.094 -0.036 0.000 1.481 276 V CA -0.178 62.101 62.300 -0.035 0.000 1.068 276 V CB 0.318 32.127 31.823 -0.023 0.000 0.935 276 V HN 0.762 nan 8.190 nan 0.000 0.453 277 R N 0.848 121.329 120.500 -0.031 0.000 2.136 277 R HA -0.218 4.135 4.340 0.022 0.000 0.242 277 R C 2.295 178.573 176.300 -0.037 0.000 1.131 277 R CA 2.796 58.878 56.100 -0.029 0.000 0.937 277 R CB -0.144 30.140 30.300 -0.027 0.000 0.863 277 R HN 0.550 nan 8.270 nan 0.000 0.435 278 Q N -0.018 119.754 119.800 -0.047 0.000 2.224 278 Q HA -0.044 4.309 4.340 0.022 0.000 0.203 278 Q C 0.864 176.821 176.000 -0.072 0.000 0.970 278 Q CA 0.580 56.349 55.803 -0.056 0.000 0.865 278 Q CB -0.132 28.569 28.738 -0.063 0.000 0.922 278 Q HN 0.276 nan 8.270 nan 0.000 0.445 282 L N 1.928 123.131 121.223 -0.033 0.000 2.353 282 L HA -0.032 4.321 4.340 0.022 0.000 0.220 282 L C 1.565 178.429 176.870 -0.010 0.000 1.133 282 L CA 1.186 56.010 54.840 -0.028 0.000 0.798 282 L CB -0.318 41.712 42.059 -0.048 0.000 0.922 282 L HN 0.255 nan 8.230 nan 0.000 0.445 283 L N -0.971 120.248 121.223 -0.008 0.000 2.395 283 L HA 0.010 4.363 4.340 0.022 0.000 0.218 283 L C 1.114 177.986 176.870 0.004 0.000 1.130 283 L CA 0.518 55.360 54.840 0.003 0.000 0.826 283 L CB -0.954 41.107 42.059 0.004 0.000 0.941 283 L HN 0.173 nan 8.230 nan 0.000 0.451 284 R N 0.619 121.120 120.500 0.000 0.000 2.494 284 R HA 0.174 4.527 4.340 0.022 0.000 0.291 284 R C 1.190 177.493 176.300 0.005 0.000 0.953 284 R CA 0.727 56.828 56.100 0.002 0.000 1.098 284 R CB -0.472 29.827 30.300 -0.001 0.000 0.911 284 R HN 0.365 nan 8.270 nan 0.000 0.407 285 G N 2.658 111.461 108.800 0.006 0.000 2.305 285 G HA2 -0.327 3.646 3.960 0.022 0.000 0.287 285 G HA3 -0.327 3.646 3.960 0.022 0.000 0.287 285 G C 0.233 175.139 174.900 0.010 0.000 1.036 285 G CA 0.620 45.724 45.100 0.008 0.000 0.887 285 G HN 0.749 nan 8.290 nan 0.000 0.505 286 T N -2.110 112.451 114.554 0.011 0.000 2.884 286 T HA 0.533 4.896 4.350 0.022 0.000 0.298 286 T C 1.348 176.056 174.700 0.014 0.000 0.998 286 T CA 0.211 62.320 62.100 0.015 0.000 1.124 286 T CB 1.727 70.606 68.868 0.018 0.000 0.931 286 T HN 0.678 nan 8.240 nan 0.000 0.531 287 K N 1.107 121.516 120.400 0.015 0.000 2.352 287 K HA 0.550 4.883 4.320 0.022 0.000 0.194 287 K C 0.473 177.081 176.600 0.014 0.000 1.038 287 K CA -0.221 56.074 56.287 0.014 0.000 1.023 287 K CB 0.482 32.990 32.500 0.013 0.000 0.840 287 K HN 0.724 nan 8.250 nan 0.000 0.519 288 A N 0.617 123.447 122.820 0.017 0.000 2.605 288 A HA 0.350 4.683 4.320 0.022 0.000 0.294 288 A C 0.132 177.728 177.584 0.021 0.000 1.062 288 A CA -0.819 51.229 52.037 0.017 0.000 0.682 288 A CB 0.802 19.811 19.000 0.015 0.000 1.278 288 A HN -0.010 nan 8.150 nan 0.000 0.410 289 L N 0.895 122.130 121.223 0.020 0.000 2.046 289 L HA -0.087 4.266 4.340 0.022 0.000 0.208 289 L C 2.586 179.472 176.870 0.027 0.000 1.077 289 L CA 2.848 57.702 54.840 0.024 0.000 0.747 289 L CB -1.765 40.305 42.059 0.019 0.000 0.896 289 L HN 1.017 nan 8.230 nan 0.000 0.432 290 T N -2.849 111.717 114.554 0.020 0.000 3.284 290 T HA -0.038 4.325 4.350 0.022 0.000 0.252 290 T C 0.711 175.425 174.700 0.023 0.000 1.144 290 T CA -0.163 61.948 62.100 0.018 0.000 1.021 290 T CB -0.346 68.529 68.868 0.011 0.000 0.984 290 T HN 0.296 nan 8.240 nan 0.000 0.545 291 E N 1.340 121.557 120.200 0.029 0.000 2.338 291 E HA 0.298 4.661 4.350 0.022 0.000 0.272 291 E C -0.946 175.682 176.600 0.046 0.000 1.029 291 E CA -0.546 55.873 56.400 0.032 0.000 0.872 291 E CB 0.975 30.692 29.700 0.029 0.000 1.015 291 E HN 0.113 nan 8.360 nan 0.000 0.417 292 V N 6.335 126.277 119.914 0.046 0.000 2.364 292 V HA 0.215 4.348 4.120 0.022 0.000 0.272 292 V C -0.178 175.959 176.094 0.072 0.000 1.036 292 V CA -0.465 61.875 62.300 0.067 0.000 0.880 292 V CB 0.594 32.448 31.823 0.053 0.000 0.991 292 V HN 0.521 nan 8.190 nan 0.000 0.460 293 I N 8.567 129.193 120.570 0.095 0.000 2.355 293 I HA 0.422 4.605 4.170 0.022 0.000 0.288 293 I C -1.932 174.238 176.117 0.089 0.000 0.999 293 I CA -2.194 59.149 61.300 0.071 0.000 1.163 293 I CB 1.804 39.832 38.000 0.047 0.000 1.316 293 I HN 0.448 nan 8.210 nan 0.000 0.454 294 P HA 0.169 nan 4.420 nan 0.000 0.271 294 P C -0.721 176.593 177.300 0.025 0.000 1.216 294 P CA -0.272 62.871 63.100 0.073 0.000 0.776 294 P CB 0.753 32.484 31.700 0.052 0.000 0.881 295 L N 2.649 123.877 121.223 0.007 0.000 2.380 295 L HA 0.205 4.558 4.340 0.022 0.000 0.273 295 L C 1.631 178.478 176.870 -0.040 0.000 1.138 295 L CA -0.434 54.363 54.840 -0.071 0.000 0.832 295 L CB 0.289 42.257 42.059 -0.153 0.000 1.124 295 L HN 0.465 nan 8.230 nan 0.000 0.454 296 T N -1.877 112.647 114.554 -0.050 0.000 2.698 296 T HA 0.014 4.377 4.350 0.022 0.000 0.295 296 T C 0.971 175.650 174.700 -0.036 0.000 1.007 296 T CA -0.494 61.586 62.100 -0.033 0.000 0.980 296 T CB 1.241 70.089 68.868 -0.034 0.000 1.036 296 T HN 0.741 nan 8.240 nan 0.000 0.526 297 E N 0.272 120.457 120.200 -0.025 0.000 2.047 297 E HA -0.198 4.165 4.350 0.022 0.000 0.191 297 E C 1.912 178.492 176.600 -0.033 0.000 0.987 297 E CA 1.304 57.691 56.400 -0.023 0.000 0.799 297 E CB -0.114 29.576 29.700 -0.015 0.000 0.752 297 E HN 0.741 nan 8.360 nan 0.000 0.449 298 E N 0.562 120.740 120.200 -0.036 0.000 2.110 298 E HA -0.158 4.205 4.350 0.022 0.000 0.193 298 E C 1.819 178.383 176.600 -0.060 0.000 0.988 298 E CA 1.232 57.608 56.400 -0.041 0.000 0.804 298 E CB -0.244 29.434 29.700 -0.037 0.000 0.745 298 E HN 0.385 nan 8.360 nan 0.000 0.458 299 A N 0.942 123.717 122.820 -0.075 0.000 1.845 299 A HA -0.259 4.074 4.320 0.022 0.000 0.215 299 A C 2.162 179.669 177.584 -0.128 0.000 1.195 299 A CA 1.796 53.764 52.037 -0.115 0.000 0.616 299 A CB -0.635 18.281 19.000 -0.140 0.000 0.832 299 A HN 0.173 nan 8.150 nan 0.000 0.443 300 E N -0.613 119.524 120.200 -0.105 0.000 2.171 300 E HA -0.188 4.174 4.350 0.022 0.000 0.197 300 E C 1.760 178.323 176.600 -0.061 0.000 0.997 300 E CA 1.231 57.581 56.400 -0.083 0.000 0.810 300 E CB -0.314 29.363 29.700 -0.039 0.000 0.738 300 E HN 0.500 nan 8.360 nan 0.000 0.467 301 L N 1.261 122.453 121.223 -0.053 0.000 1.973 301 L HA -0.162 4.191 4.340 0.022 0.000 0.208 301 L C 2.159 179.000 176.870 -0.048 0.000 1.073 301 L CA 2.560 57.376 54.840 -0.041 0.000 0.746 301 L CB -1.083 40.956 42.059 -0.034 0.000 0.891 301 L HN 0.319 nan 8.230 nan 0.000 0.433 302 E N -0.433 119.732 120.200 -0.058 0.000 2.118 302 E HA -0.298 4.065 4.350 0.022 0.000 0.195 302 E C 2.181 178.739 176.600 -0.070 0.000 0.992 302 E CA 1.717 58.081 56.400 -0.059 0.000 0.804 302 E CB -0.906 28.758 29.700 -0.061 0.000 0.741 302 E HN 0.455 nan 8.360 nan 0.000 0.458 303 L N 1.347 122.514 121.223 -0.093 0.000 2.042 303 L HA -0.118 4.235 4.340 0.022 0.000 0.210 303 L C 2.452 179.288 176.870 -0.057 0.000 1.076 303 L CA 2.208 56.986 54.840 -0.102 0.000 0.749 303 L CB -0.728 41.235 42.059 -0.159 0.000 0.893 303 L HN 0.257 nan 8.230 nan 0.000 0.432 304 A N -0.750 122.044 122.820 -0.042 0.000 1.898 304 A HA -0.190 4.143 4.320 0.022 0.000 0.216 304 A C 2.110 179.678 177.584 -0.026 0.000 1.181 304 A CA 1.589 53.612 52.037 -0.022 0.000 0.620 304 A CB -0.595 18.396 19.000 -0.015 0.000 0.819 304 A HN 0.610 nan 8.150 nan 0.000 0.442 305 E N 0.194 120.375 120.200 -0.032 0.000 2.110 305 E HA -0.178 4.184 4.350 0.022 0.000 0.193 305 E C 1.736 178.313 176.600 -0.038 0.000 0.988 305 E CA 1.155 57.537 56.400 -0.030 0.000 0.804 305 E CB -0.211 29.471 29.700 -0.029 0.000 0.745 305 E HN 0.520 nan 8.360 nan 0.000 0.458 306 N N 0.988 119.659 118.700 -0.049 0.000 2.106 306 N HA -0.107 4.646 4.740 0.022 0.000 0.188 306 N C 1.688 177.151 175.510 -0.078 0.000 1.029 306 N CA 0.963 53.973 53.050 -0.066 0.000 0.848 306 N CB -0.208 38.238 38.487 -0.068 0.000 1.007 306 N HN 0.115 nan 8.380 nan 0.000 0.423 307 R N 1.094 121.561 120.500 -0.054 0.000 2.103 307 R HA -0.115 4.238 4.340 0.022 0.000 0.242 307 R C 2.006 178.276 176.300 -0.050 0.000 1.142 307 R CA 1.351 57.424 56.100 -0.045 0.000 0.960 307 R CB -0.202 30.090 30.300 -0.014 0.000 0.858 307 R HN 0.475 nan 8.270 nan 0.000 0.439 308 E N 0.491 120.669 120.200 -0.037 0.000 2.031 308 E HA -0.197 4.165 4.350 0.022 0.000 0.193 308 E C 2.091 178.672 176.600 -0.031 0.000 0.994 308 E CA 1.338 57.723 56.400 -0.026 0.000 0.800 308 E CB -0.198 29.492 29.700 -0.016 0.000 0.752 308 E HN 0.328 nan 8.360 nan 0.000 0.447 309 I N 1.289 121.832 120.570 -0.045 0.000 2.163 309 I HA -0.287 3.896 4.170 0.022 0.000 0.243 309 I C 2.352 178.396 176.117 -0.121 0.000 1.085 309 I CA 1.055 62.334 61.300 -0.035 0.000 1.347 309 I CB -0.276 37.706 38.000 -0.030 0.000 1.044 309 I HN 0.123 nan 8.210 nan 0.000 0.408 310 L N 0.521 121.574 121.223 -0.283 0.000 2.447 310 L HA -0.179 4.174 4.340 0.022 0.000 0.225 310 L C 1.575 178.318 176.870 -0.211 0.000 1.148 310 L CA 1.183 55.714 54.840 -0.515 0.000 0.808 310 L CB -0.535 41.293 42.059 -0.384 0.000 0.928 310 L HN 0.255 nan 8.230 nan 0.000 0.448 311 K N 0.004 120.367 120.400 -0.061 0.000 2.520 311 K HA 0.079 4.412 4.320 0.022 0.000 0.205 311 K C 0.407 177.056 176.600 0.080 0.000 1.035 311 K CA -0.101 56.198 56.287 0.019 0.000 1.188 311 K CB 0.213 32.718 32.500 0.008 0.000 0.894 311 K HN 0.131 nan 8.250 nan 0.000 0.497 312 E N 2.526 122.824 120.200 0.164 0.000 2.191 312 E HA 0.168 4.531 4.350 0.022 0.000 0.278 312 E C -2.516 174.245 176.600 0.270 0.000 0.972 312 E CA -2.323 54.196 56.400 0.199 0.000 0.804 312 E CB 1.436 31.271 29.700 0.226 0.000 1.110 312 E HN -0.065 nan 8.360 nan 0.000 0.394 313 P HA 0.082 nan 4.420 nan 0.000 0.274 313 P C -0.123 177.279 177.300 0.171 0.000 1.470 313 P CA -0.337 62.877 63.100 0.189 0.000 1.001 313 P CB 0.265 32.025 31.700 0.100 0.000 1.332 314 V N 2.312 122.277 119.914 0.084 0.000 2.372 314 V HA 0.335 4.468 4.120 0.022 0.000 0.261 314 V C 0.218 176.308 176.094 -0.007 0.000 1.055 314 V CA -0.356 61.900 62.300 -0.073 0.000 0.930 314 V CB -0.420 31.161 31.823 -0.404 0.000 1.031 314 V HN 0.463 nan 8.190 nan 0.000 0.479 315 H N 3.099 121.993 119.070 -0.294 0.000 2.529 315 H HA 0.794 5.363 4.556 0.021 0.000 0.348 315 H C 0.307 175.081 175.328 -0.924 0.000 1.152 315 H CA -0.147 55.617 56.048 -0.474 0.000 1.202 315 H CB 2.572 32.143 29.762 -0.318 0.000 1.562 315 H HN 0.920 nan 8.280 nan 0.000 0.515 316 G N 0.710 108.552 108.800 -1.597 0.000 2.733 316 G HA2 0.474 4.447 3.960 0.022 0.000 0.288 316 G HA3 0.474 4.447 3.960 0.022 0.000 0.288 316 G C -1.192 172.886 174.900 -1.370 0.000 1.373 316 G CA -0.430 43.384 45.100 -2.144 0.000 0.895 316 G HN 0.422 nan 8.290 nan 0.000 0.479 317 V N 0.022 119.648 119.914 -0.479 0.000 2.732 317 V HA 0.503 4.636 4.120 0.022 0.000 0.310 317 V C -0.693 175.560 176.094 0.264 0.000 1.053 317 V CA -0.682 61.575 62.300 -0.072 0.000 0.957 317 V CB 1.443 33.303 31.823 0.062 0.000 1.018 317 V HN 0.615 nan 8.190 nan 0.000 0.452 318 Y N 0.893 121.391 120.300 0.330 0.000 2.408 318 Y HA 0.413 4.977 4.550 0.022 0.000 0.324 318 Y C -0.105 175.986 175.900 0.318 0.000 1.302 318 Y CA -0.627 57.680 58.100 0.345 0.000 1.384 318 Y CB 0.455 39.063 38.460 0.246 0.000 1.367 318 Y HN 0.568 nan 8.280 nan 0.000 0.525 319 Y N 1.793 122.328 120.300 0.391 0.000 2.336 319 Y HA 0.242 4.805 4.550 0.021 0.000 0.335 319 Y C -0.673 175.303 175.900 0.126 0.000 1.046 319 Y CA -1.479 56.755 58.100 0.223 0.000 1.198 319 Y CB 0.511 39.167 38.460 0.326 0.000 1.182 319 Y HN 0.551 nan 8.280 nan 0.000 0.502 320 D N 8.226 128.383 120.400 -0.405 0.000 2.464 320 D HA 0.378 5.031 4.640 0.022 0.000 0.243 320 D C -2.261 173.584 176.300 -0.758 0.000 1.104 320 D CA -2.469 51.268 54.000 -0.439 0.000 0.883 320 D CB 1.689 42.385 40.800 -0.174 0.000 1.050 320 D HN 0.281 nan 8.370 nan 0.000 0.524 321 P HA -0.169 nan 4.420 nan 0.000 0.221 321 P C 0.801 177.942 177.300 -0.265 0.000 1.141 321 P CA 1.030 63.767 63.100 -0.604 0.000 0.794 321 P CB 0.143 31.663 31.700 -0.299 0.000 0.764 322 S N -3.218 112.351 115.700 -0.219 0.000 2.548 322 S HA 0.140 4.623 4.470 0.022 0.000 0.215 322 S C 0.703 175.241 174.600 -0.103 0.000 0.976 322 S CA 0.002 58.129 58.200 -0.121 0.000 0.908 322 S CB -0.239 62.906 63.200 -0.092 0.000 0.781 322 S HN 0.090 nan 8.310 nan 0.000 0.519 323 K N 1.303 121.626 120.400 -0.129 0.000 2.238 323 K HA 0.426 4.759 4.320 0.022 0.000 0.239 323 K C -1.120 175.423 176.600 -0.096 0.000 0.987 323 K CA -0.947 55.281 56.287 -0.099 0.000 0.857 323 K CB 0.666 33.110 32.500 -0.093 0.000 1.154 323 K HN 0.049 nan 8.250 nan 0.000 0.439 324 D N 1.281 121.615 120.400 -0.111 0.000 2.400 324 D HA 0.043 4.696 4.640 0.022 0.000 0.238 324 D C -0.361 175.805 176.300 -0.222 0.000 1.157 324 D CA 0.252 54.164 54.000 -0.146 0.000 0.889 324 D CB 0.639 41.343 40.800 -0.159 0.000 1.199 324 D HN 0.197 nan 8.370 nan 0.000 0.436 325 L N 2.480 123.535 121.223 -0.279 0.000 2.276 325 L HA 0.398 4.751 4.340 0.022 0.000 0.286 325 L C -0.531 176.058 176.870 -0.469 0.000 1.024 325 L CA -0.484 54.087 54.840 -0.448 0.000 0.826 325 L CB 0.497 42.241 42.059 -0.526 0.000 1.211 325 L HN 0.171 nan 8.230 nan 0.000 0.422 326 I N 3.621 123.845 120.570 -0.578 0.000 2.474 326 I HA 0.629 4.812 4.170 0.022 0.000 0.294 326 I C -0.147 175.700 176.117 -0.450 0.000 1.005 326 I CA -0.540 60.410 61.300 -0.583 0.000 1.113 326 I CB 2.083 39.616 38.000 -0.777 0.000 1.289 326 I HN 0.542 nan 8.210 nan 0.000 0.436 327 A N 4.947 127.567 122.820 -0.333 0.000 2.335 327 A HA 0.603 4.936 4.320 0.022 0.000 0.304 327 A C -0.791 176.829 177.584 0.061 0.000 1.118 327 A CA -0.475 51.483 52.037 -0.132 0.000 0.757 327 A CB 1.144 19.939 19.000 -0.342 0.000 1.188 327 A HN 0.766 nan 8.150 nan 0.000 0.460 328 E N 2.643 122.955 120.200 0.187 0.000 2.183 328 E HA 0.679 5.042 4.350 0.022 0.000 0.271 328 E C -1.184 175.525 176.600 0.183 0.000 0.919 328 E CA -0.468 56.034 56.400 0.171 0.000 0.781 328 E CB 1.227 31.000 29.700 0.122 0.000 1.140 328 E HN 0.663 nan 8.360 nan 0.000 0.402 329 I N 2.445 123.122 120.570 0.179 0.000 2.740 329 I HA 0.334 4.516 4.170 0.022 0.000 0.303 329 I C -0.819 175.408 176.117 0.183 0.000 1.044 329 I CA -0.980 60.447 61.300 0.211 0.000 1.064 329 I CB 2.056 40.187 38.000 0.220 0.000 1.249 329 I HN 0.420 nan 8.210 nan 0.000 0.433 330 Q N 3.205 123.126 119.800 0.202 0.000 2.331 330 Q HA 0.350 4.703 4.340 0.022 0.000 0.272 330 Q C -0.925 175.137 176.000 0.104 0.000 1.062 330 Q CA -0.788 55.087 55.803 0.120 0.000 0.806 330 Q CB 2.598 31.357 28.738 0.035 0.000 1.312 330 Q HN 0.333 nan 8.270 nan 0.000 0.431 331 K N 2.010 122.368 120.400 -0.070 0.000 2.263 331 K HA 0.135 4.468 4.320 0.022 0.000 0.282 331 K C -0.683 175.714 176.600 -0.338 0.000 1.089 331 K CA -0.105 55.861 56.287 -0.533 0.000 0.907 331 K CB 0.691 32.751 32.500 -0.733 0.000 1.148 331 K HN 0.644 nan 8.250 nan 0.000 0.470 332 Q N 4.196 123.808 119.800 -0.314 0.000 2.681 332 Q HA 0.193 4.545 4.340 0.022 0.000 0.222 332 Q C -0.208 175.665 176.000 -0.211 0.000 1.258 332 Q CA 0.131 55.822 55.803 -0.185 0.000 1.014 332 Q CB 0.206 28.878 28.738 -0.111 0.000 1.384 332 Q HN 0.979 nan 8.270 nan 0.000 0.570 333 G N 2.091 110.772 108.800 -0.199 0.000 2.828 333 G HA2 -0.316 3.657 3.960 0.022 0.000 0.463 333 G HA3 -0.316 3.657 3.960 0.022 0.000 0.463 333 G C -0.711 174.049 174.900 -0.232 0.000 1.394 333 G CA -0.302 44.702 45.100 -0.159 0.000 0.862 333 G HN 0.689 nan 8.290 nan 0.000 0.540 334 Q N 0.541 120.250 119.800 -0.152 0.000 2.311 334 Q HA 0.423 4.776 4.340 0.022 0.000 0.272 334 Q C 1.568 177.490 176.000 -0.131 0.000 1.012 334 Q CA 1.189 56.909 55.803 -0.138 0.000 0.891 334 Q CB 0.018 28.707 28.738 -0.080 0.000 1.201 334 Q HN 2.614 nan 8.270 nan 0.000 0.391 335 G N 2.984 111.714 108.800 -0.118 0.000 2.184 335 G HA2 -0.299 3.674 3.960 0.022 0.000 0.264 335 G HA3 -0.299 3.674 3.960 0.022 0.000 0.264 335 G C -0.244 174.661 174.900 0.009 0.000 0.975 335 G CA 0.541 45.662 45.100 0.034 0.000 0.642 335 G HN 0.628 nan 8.290 nan 0.000 0.536 336 Q N -1.293 118.340 119.800 -0.279 0.000 2.337 336 Q HA 0.642 4.995 4.340 0.022 0.000 0.266 336 Q C -1.175 174.553 176.000 -0.453 0.000 1.023 336 Q CA -0.781 54.925 55.803 -0.162 0.000 0.829 336 Q CB 1.552 30.230 28.738 -0.099 0.000 1.306 336 Q HN 0.354 nan 8.270 nan 0.000 0.449 337 W N 0.902 122.248 121.300 0.076 0.000 2.957 337 W HA 0.395 5.071 4.660 0.026 0.000 0.336 337 W C -0.554 175.984 176.519 0.033 0.000 1.087 337 W CA -0.621 56.764 57.345 0.067 0.000 1.235 337 W CB 1.779 31.304 29.460 0.110 0.000 1.399 337 W HN 0.432 nan 8.180 nan 0.000 0.480 338 T N 0.266 114.944 114.554 0.207 0.000 2.859 338 T HA 0.786 5.149 4.350 0.022 0.000 0.281 338 T C -1.068 173.713 174.700 0.134 0.000 1.005 338 T CA -0.672 61.465 62.100 0.063 0.000 1.025 338 T CB 1.480 70.334 68.868 -0.022 0.000 0.977 338 T HN 0.423 nan 8.240 nan 0.000 0.458 339 Y N -0.221 120.043 120.300 -0.060 0.000 2.588 339 Y HA 0.731 5.293 4.550 0.019 0.000 0.343 339 Y C -1.321 174.565 175.900 -0.023 0.000 1.065 339 Y CA -1.335 56.749 58.100 -0.025 0.000 1.038 339 Y CB 1.818 40.256 38.460 -0.036 0.000 1.297 339 Y HN 0.769 nan 8.280 nan 0.000 0.467 340 Q N 3.280 123.126 119.800 0.077 0.000 2.281 340 Q HA 0.471 4.824 4.340 0.022 0.000 0.263 340 Q C -1.983 174.162 176.000 0.242 0.000 0.989 340 Q CA -0.631 55.199 55.803 0.045 0.000 0.852 340 Q CB 2.264 30.976 28.738 -0.043 0.000 1.337 340 Q HN 0.935 nan 8.270 nan 0.000 0.418 341 I N 3.797 124.524 120.570 0.262 0.000 2.330 341 I HA 0.519 4.702 4.170 0.022 0.000 0.289 341 I C -0.800 175.439 176.117 0.204 0.000 1.001 341 I CA -0.984 60.436 61.300 0.200 0.000 1.193 341 I CB 0.497 38.611 38.000 0.189 0.000 1.345 341 I HN 0.613 nan 8.210 nan 0.000 0.461 342 Y N 3.280 123.549 120.300 -0.052 0.000 2.581 342 Y HA 0.527 5.090 4.550 0.023 0.000 0.345 342 Y C 0.071 175.918 175.900 -0.088 0.000 1.036 342 Y CA -1.189 56.888 58.100 -0.040 0.000 1.042 342 Y CB 1.110 39.546 38.460 -0.039 0.000 1.289 342 Y HN 0.493 nan 8.280 nan 0.000 0.471 343 Q N 0.400 120.080 119.800 -0.199 0.000 2.390 343 Q HA 0.193 4.546 4.340 0.022 0.000 0.216 343 Q C -0.403 175.528 176.000 -0.116 0.000 0.916 343 Q CA 0.426 56.079 55.803 -0.251 0.000 0.911 343 Q CB 1.146 29.814 28.738 -0.116 0.000 1.035 343 Q HN 0.756 nan 8.270 nan 0.000 0.541 344 E N 1.447 121.702 120.200 0.092 0.000 2.210 344 E HA 0.286 4.649 4.350 0.022 0.000 0.266 344 E C -2.609 174.194 176.600 0.339 0.000 0.883 344 E CA -2.689 53.810 56.400 0.164 0.000 0.761 344 E CB 1.810 31.565 29.700 0.092 0.000 1.156 344 E HN -0.175 nan 8.360 nan 0.000 0.412 345 P HA -0.148 nan 4.420 nan 0.000 0.264 345 P C -0.359 176.985 177.300 0.073 0.000 1.156 345 P CA 0.809 63.949 63.100 0.067 0.000 0.756 345 P CB 0.032 31.767 31.700 0.058 0.000 0.764 346 F N 0.066 119.883 119.950 -0.221 0.000 2.890 346 F HA -0.284 4.256 4.527 0.020 0.000 0.346 346 F C 0.686 176.439 175.800 -0.078 0.000 0.660 346 F CA 1.413 59.319 58.000 -0.157 0.000 1.091 346 F CB -1.472 37.454 39.000 -0.123 0.000 1.535 346 F HN 0.356 nan 8.300 nan 0.000 0.314 347 K N 1.329 121.818 120.400 0.148 0.000 2.419 347 K HA 0.274 4.607 4.320 0.022 0.000 0.244 347 K C -0.246 176.456 176.600 0.170 0.000 1.045 347 K CA -0.494 55.864 56.287 0.118 0.000 1.004 347 K CB 0.493 33.052 32.500 0.099 0.000 1.376 347 K HN 0.006 nan 8.250 nan 0.000 0.460 348 N N 2.864 121.656 118.700 0.152 0.000 2.499 348 N HA 0.142 4.895 4.740 0.022 0.000 0.281 348 N C 0.756 176.496 175.510 0.383 0.000 1.098 348 N CA -0.225 52.973 53.050 0.247 0.000 0.979 348 N CB 1.452 40.061 38.487 0.203 0.000 1.121 348 N HN 0.240 nan 8.380 nan 0.000 0.466 349 L N 1.050 122.521 121.223 0.412 0.000 2.130 349 L HA 0.192 4.545 4.340 0.022 0.000 0.200 349 L C 0.993 178.161 176.870 0.496 0.000 1.075 349 L CA 1.236 56.395 54.840 0.532 0.000 0.768 349 L CB -0.100 42.245 42.059 0.477 0.000 0.933 349 L HN 0.503 nan 8.230 nan 0.000 0.451 350 K N -0.997 119.636 120.400 0.390 0.000 2.532 350 K HA 0.523 4.856 4.320 0.022 0.000 0.265 350 K C -1.279 175.415 176.600 0.156 0.000 0.948 350 K CA -0.357 56.084 56.287 0.258 0.000 0.842 350 K CB 2.070 34.704 32.500 0.224 0.000 1.392 350 K HN 0.079 nan 8.250 nan 0.000 0.436 351 T N -1.439 113.097 114.554 -0.029 0.000 2.778 351 T HA 0.917 5.280 4.350 0.022 0.000 0.293 351 T C -0.124 174.191 174.700 -0.642 0.000 1.144 351 T CA -0.475 61.426 62.100 -0.332 0.000 1.010 351 T CB 1.822 70.568 68.868 -0.203 0.000 1.325 351 T HN 0.868 nan 8.240 nan 0.000 0.515 352 G N 0.119 108.319 108.800 -1.000 0.000 2.339 352 G HA2 0.492 4.465 3.960 0.022 0.000 0.302 352 G HA3 0.492 4.465 3.960 0.022 0.000 0.302 352 G C -2.073 172.337 174.900 -0.815 0.000 1.425 352 G CA -0.570 44.037 45.100 -0.821 0.000 0.899 352 G HN 1.028 nan 8.290 nan 0.000 0.619 353 K N -0.832 119.359 120.400 -0.348 0.000 2.477 353 K HA 0.771 5.104 4.320 0.022 0.000 0.255 353 K C -1.806 174.767 176.600 -0.045 0.000 0.952 353 K CA -1.110 55.069 56.287 -0.180 0.000 0.826 353 K CB 2.162 34.613 32.500 -0.082 0.000 1.331 353 K HN 0.400 nan 8.250 nan 0.000 0.437 354 Y N 0.998 121.438 120.300 0.234 0.000 2.341 354 Y HA 0.463 5.026 4.550 0.022 0.000 0.337 354 Y C 0.541 176.536 175.900 0.159 0.000 1.014 354 Y CA -0.998 57.212 58.100 0.184 0.000 1.111 354 Y CB 1.710 40.277 38.460 0.178 0.000 1.194 354 Y HN 0.865 nan 8.280 nan 0.000 0.462 355 A N 2.862 125.847 122.820 0.275 0.000 2.492 355 A HA 0.179 4.512 4.320 0.022 0.000 0.236 355 A C 0.543 178.225 177.584 0.164 0.000 1.078 355 A CA -0.533 51.606 52.037 0.170 0.000 0.773 355 A CB -0.002 19.073 19.000 0.125 0.000 1.023 355 A HN 0.808 nan 8.150 nan 0.000 0.504 356 R N 2.278 122.842 120.500 0.107 0.000 2.540 356 R HA 0.054 4.407 4.340 0.022 0.000 0.317 356 R C 0.269 176.625 176.300 0.092 0.000 1.233 356 R CA 0.452 56.605 56.100 0.089 0.000 1.003 356 R CB -0.663 29.663 30.300 0.043 0.000 1.034 356 R HN 0.653 nan 8.270 nan 0.000 0.483 357 M N 5.682 125.352 119.600 0.118 0.000 2.685 357 M HA 0.066 4.559 4.480 0.022 0.000 0.316 357 M C -0.411 175.937 176.300 0.080 0.000 1.523 357 M CA 0.314 55.669 55.300 0.090 0.000 1.472 357 M CB 0.019 32.670 32.600 0.087 0.000 1.525 357 M HN 0.509 nan 8.290 nan 0.000 0.471 358 R N 3.641 124.180 120.500 0.064 0.000 2.605 358 R HA 0.171 4.524 4.340 0.022 0.000 0.271 358 R C 0.548 176.888 176.300 0.067 0.000 1.418 358 R CA -0.128 56.008 56.100 0.060 0.000 1.102 358 R CB -0.149 30.178 30.300 0.046 0.000 1.131 358 R HN 0.799 nan 8.270 nan 0.000 0.554 359 G N 0.162 109.010 108.800 0.081 0.000 2.568 359 G HA2 0.362 4.334 3.960 0.022 0.000 0.293 359 G HA3 0.362 4.334 3.960 0.022 0.000 0.293 359 G C 0.676 175.653 174.900 0.128 0.000 1.347 359 G CA -0.097 45.059 45.100 0.094 0.000 1.039 359 G HN 0.496 nan 8.290 nan 0.000 0.523 360 A N -1.238 121.688 122.820 0.176 0.000 1.930 360 A HA 0.319 4.652 4.320 0.022 0.000 0.215 360 A C 0.786 178.622 177.584 0.420 0.000 1.176 360 A CA 1.850 54.053 52.037 0.276 0.000 0.632 360 A CB -0.647 18.560 19.000 0.346 0.000 0.819 360 A HN 1.346 nan 8.150 nan 0.000 0.445 361 H N -4.015 115.125 119.070 0.116 0.000 3.249 361 H HA 0.461 5.030 4.556 0.021 0.000 0.327 361 H C -0.588 174.840 175.328 0.167 0.000 1.498 361 H CA -0.394 55.736 56.048 0.137 0.000 1.637 361 H CB -0.109 29.743 29.762 0.151 0.000 2.475 361 H HN 0.183 nan 8.280 nan 0.000 0.370 362 T N 1.296 115.950 114.554 0.167 0.000 2.584 362 T HA 0.582 4.945 4.350 0.022 0.000 0.273 362 T C -0.577 174.223 174.700 0.167 0.000 0.978 362 T CA -0.553 61.634 62.100 0.144 0.000 1.159 362 T CB 1.148 70.076 68.868 0.100 0.000 1.556 362 T HN 0.914 nan 8.240 nan 0.000 0.472 363 N N -1.218 117.549 118.700 0.111 0.000 2.934 363 N HA 0.445 5.198 4.740 0.022 0.000 0.253 363 N C -0.496 175.021 175.510 0.012 0.000 1.466 363 N CA -0.700 52.395 53.050 0.075 0.000 0.858 363 N CB 0.528 39.036 38.487 0.035 0.000 1.459 363 N HN 0.325 nan 8.380 nan 0.000 0.532 364 D N -0.218 120.204 120.400 0.037 0.000 2.084 364 D HA -0.085 4.568 4.640 0.022 0.000 0.196 364 D C 1.823 178.047 176.300 -0.127 0.000 0.985 364 D CA 1.511 55.577 54.000 0.111 0.000 0.826 364 D CB -0.442 40.454 40.800 0.160 0.000 0.978 364 D HN 0.359 nan 8.370 nan 0.000 0.456 365 V N 1.099 120.719 119.914 -0.490 0.000 2.324 365 V HA -0.283 3.850 4.120 0.022 0.000 0.250 365 V C 2.349 177.911 176.094 -0.887 0.000 1.060 365 V CA 1.754 63.551 62.300 -0.838 0.000 1.042 365 V CB -0.602 30.307 31.823 -1.524 0.000 0.650 365 V HN 0.089 nan 8.190 nan 0.000 0.450 366 K N 0.461 120.341 120.400 -0.867 0.000 2.026 366 K HA -0.178 4.155 4.320 0.022 0.000 0.208 366 K C 2.234 178.647 176.600 -0.312 0.000 1.048 366 K CA 1.655 57.684 56.287 -0.430 0.000 0.929 366 K CB -0.568 31.843 32.500 -0.148 0.000 0.713 366 K HN 0.500 nan 8.250 nan 0.000 0.439 367 Q N -0.030 119.629 119.800 -0.235 0.000 2.135 367 Q HA -0.161 4.192 4.340 0.022 0.000 0.204 367 Q C 2.098 177.660 176.000 -0.730 0.000 0.981 367 Q CA 1.522 57.196 55.803 -0.216 0.000 0.856 367 Q CB -0.185 28.674 28.738 0.203 0.000 0.902 367 Q HN 0.397 nan 8.270 nan 0.000 0.425 368 L N 0.133 120.813 121.223 -0.906 0.000 2.017 368 L HA -0.200 4.153 4.340 0.022 0.000 0.208 368 L C 2.207 178.553 176.870 -0.874 0.000 1.073 368 L CA 1.402 55.462 54.840 -1.299 0.000 0.745 368 L CB -0.468 41.101 42.059 -0.817 0.000 0.894 368 L HN 0.259 nan 8.230 nan 0.000 0.432 369 T N -0.082 114.094 114.554 -0.630 0.000 2.635 369 T HA -0.258 4.105 4.350 0.022 0.000 0.267 369 T C 1.599 176.030 174.700 -0.448 0.000 1.040 369 T CA 1.986 63.791 62.100 -0.492 0.000 1.156 369 T CB -0.199 68.525 68.868 -0.240 0.000 0.863 369 T HN 0.453 nan 8.240 nan 0.000 0.430 370 E N 0.717 120.685 120.200 -0.387 0.000 2.153 370 E HA -0.065 4.297 4.350 0.022 0.000 0.194 370 E C 2.454 178.815 176.600 -0.398 0.000 0.988 370 E CA 0.870 57.074 56.400 -0.327 0.000 0.811 370 E CB -0.185 29.367 29.700 -0.247 0.000 0.746 370 E HN 0.487 nan 8.360 nan 0.000 0.466 371 A N 0.929 123.445 122.820 -0.507 0.000 1.855 371 A HA -0.136 4.197 4.320 0.022 0.000 0.215 371 A C 2.518 179.916 177.584 -0.309 0.000 1.191 371 A CA 1.080 52.890 52.037 -0.380 0.000 0.613 371 A CB -0.770 17.914 19.000 -0.526 0.000 0.829 371 A HN 0.117 nan 8.150 nan 0.000 0.442 372 V N 1.093 120.721 119.914 -0.477 0.000 2.317 372 V HA -0.384 3.749 4.120 0.022 0.000 0.251 372 V C 2.921 178.769 176.094 -0.410 0.000 1.065 372 V CA 2.726 64.671 62.300 -0.592 0.000 1.049 372 V CB -1.013 30.234 31.823 -0.961 0.000 0.651 372 V HN 0.928 nan 8.190 nan 0.000 0.450 373 Q N 0.511 120.099 119.800 -0.354 0.000 2.046 373 Q HA -0.184 4.169 4.340 0.022 0.000 0.200 373 Q C 2.081 177.974 176.000 -0.180 0.000 0.975 373 Q CA 1.860 57.527 55.803 -0.228 0.000 0.836 373 Q CB -0.565 28.057 28.738 -0.194 0.000 0.896 373 Q HN 0.447 nan 8.270 nan 0.000 0.428 374 K N 0.325 120.572 120.400 -0.255 0.000 2.074 374 K HA -0.135 4.198 4.320 0.022 0.000 0.209 374 K C 2.167 178.673 176.600 -0.158 0.000 1.048 374 K CA 1.777 57.889 56.287 -0.293 0.000 0.926 374 K CB -0.344 31.755 32.500 -0.668 0.000 0.713 374 K HN 0.362 nan 8.250 nan 0.000 0.444 375 I N 0.649 121.158 120.570 -0.101 0.000 2.113 375 I HA -0.280 3.903 4.170 0.022 0.000 0.238 375 I C 2.363 178.491 176.117 0.018 0.000 1.070 375 I CA 1.368 62.624 61.300 -0.072 0.000 1.332 375 I CB -0.636 37.344 38.000 -0.033 0.000 1.044 375 I HN 0.176 nan 8.210 nan 0.000 0.402 376 T N 0.220 114.831 114.554 0.095 0.000 2.597 376 T HA -0.259 4.104 4.350 0.022 0.000 0.267 376 T C 1.891 176.614 174.700 0.039 0.000 1.053 376 T CA 2.400 64.576 62.100 0.126 0.000 1.165 376 T CB -0.516 68.407 68.868 0.093 0.000 0.863 376 T HN 0.378 nan 8.240 nan 0.000 0.427 377 T N 1.573 116.119 114.554 -0.014 0.000 2.607 377 T HA -0.163 4.200 4.350 0.022 0.000 0.267 377 T C 1.926 176.590 174.700 -0.059 0.000 1.049 377 T CA 1.650 63.729 62.100 -0.035 0.000 1.162 377 T CB -0.429 68.402 68.868 -0.061 0.000 0.863 377 T HN 0.508 nan 8.240 nan 0.000 0.424 378 E N 0.448 120.598 120.200 -0.084 0.000 2.065 378 E HA -0.166 4.197 4.350 0.022 0.000 0.201 378 E C 2.604 179.084 176.600 -0.199 0.000 1.016 378 E CA 1.583 57.898 56.400 -0.143 0.000 0.818 378 E CB -0.167 29.452 29.700 -0.136 0.000 0.749 378 E HN 0.387 nan 8.360 nan 0.000 0.453 379 S N 0.829 116.473 115.700 -0.093 0.000 2.359 379 S HA -0.205 4.278 4.470 0.022 0.000 0.222 379 S C 1.988 176.578 174.600 -0.015 0.000 1.038 379 S CA 1.255 59.463 58.200 0.014 0.000 1.051 379 S CB -0.299 63.023 63.200 0.202 0.000 0.944 379 S HN 0.231 nan 8.310 nan 0.000 0.433 380 I N 1.616 122.191 120.570 0.008 0.000 2.248 380 I HA -0.127 4.056 4.170 0.022 0.000 0.248 380 I C 2.260 178.350 176.117 -0.045 0.000 1.107 380 I CA 1.104 62.411 61.300 0.011 0.000 1.373 380 I CB -1.765 36.248 38.000 0.021 0.000 1.055 380 I HN 0.172 nan 8.210 nan 0.000 0.418 381 V N 0.781 120.631 119.914 -0.107 0.000 2.379 381 V HA -0.184 3.949 4.120 0.022 0.000 0.245 381 V C 2.524 178.483 176.094 -0.225 0.000 1.044 381 V CA 1.156 63.376 62.300 -0.132 0.000 1.036 381 V CB -0.335 31.406 31.823 -0.136 0.000 0.664 381 V HN 0.180 nan 8.190 nan 0.000 0.453 382 I N -1.101 119.211 120.570 -0.430 0.000 2.163 382 I HA -0.145 4.038 4.170 0.022 0.000 0.240 382 I C 2.031 177.686 176.117 -0.770 0.000 1.081 382 I CA 1.839 62.663 61.300 -0.794 0.000 1.353 382 I CB -0.925 36.141 38.000 -1.556 0.000 1.054 382 I HN 0.454 nan 8.210 nan 0.000 0.407 383 W N -0.039 121.148 121.300 -0.188 0.000 2.714 383 W HA 0.405 5.077 4.660 0.021 0.000 0.353 383 W C 1.382 177.840 176.519 -0.101 0.000 0.999 383 W CA 0.503 57.696 57.345 -0.253 0.000 1.629 383 W CB -0.473 28.640 29.460 -0.579 0.000 1.106 383 W HN 0.373 nan 8.180 nan 0.000 0.545 384 G N 2.272 111.134 108.800 0.103 0.000 2.203 384 G HA2 -0.319 3.654 3.960 0.022 0.000 0.263 384 G HA3 -0.319 3.654 3.960 0.022 0.000 0.263 384 G C 0.108 175.075 174.900 0.111 0.000 1.012 384 G CA 0.748 45.903 45.100 0.090 0.000 0.749 384 G HN 0.253 nan 8.290 nan 0.000 0.512 385 K N -0.440 120.044 120.400 0.139 0.000 2.508 385 K HA 0.615 4.948 4.320 0.022 0.000 0.260 385 K C 0.041 176.699 176.600 0.097 0.000 0.949 385 K CA -0.271 56.078 56.287 0.103 0.000 0.834 385 K CB 1.861 34.408 32.500 0.080 0.000 1.365 385 K HN 0.276 nan 8.250 nan 0.000 0.437 386 T N -0.509 114.080 114.554 0.057 0.000 2.875 386 T HA 0.525 4.887 4.350 0.022 0.000 0.284 386 T C -2.555 172.085 174.700 -0.100 0.000 0.995 386 T CA -1.951 60.170 62.100 0.036 0.000 1.060 386 T CB 1.269 70.201 68.868 0.106 0.000 0.967 386 T HN 0.116 nan 8.240 nan 0.000 0.476 387 P HA 0.334 nan 4.420 nan 0.000 0.277 387 P C -0.592 176.347 177.300 -0.601 0.000 1.240 387 P CA -0.811 62.002 63.100 -0.479 0.000 0.798 387 P CB 0.504 31.836 31.700 -0.612 0.000 0.979 388 K N 1.651 121.802 120.400 -0.415 0.000 2.295 388 K HA 0.329 4.662 4.320 0.022 0.000 0.270 388 K C -0.450 175.925 176.600 -0.375 0.000 1.011 388 K CA 0.030 56.164 56.287 -0.255 0.000 0.953 388 K CB 0.172 32.580 32.500 -0.154 0.000 0.956 388 K HN 0.300 nan 8.250 nan 0.000 0.477 389 F N 1.345 121.276 119.950 -0.030 0.000 2.422 389 F HA 0.311 4.850 4.527 0.019 0.000 0.333 389 F C 0.459 176.306 175.800 0.078 0.000 1.095 389 F CA -0.634 57.364 58.000 -0.004 0.000 1.038 389 F CB 1.508 40.469 39.000 -0.066 0.000 1.156 389 F HN 0.190 nan 8.300 nan 0.000 0.483 390 K N 4.511 125.061 120.400 0.251 0.000 2.449 390 K HA 0.556 4.889 4.320 0.022 0.000 0.257 390 K C -1.358 175.374 176.600 0.221 0.000 0.989 390 K CA -0.340 56.069 56.287 0.204 0.000 0.916 390 K CB 1.177 33.745 32.500 0.114 0.000 1.136 390 K HN 0.524 nan 8.250 nan 0.000 0.439 391 L N 4.672 126.072 121.223 0.295 0.000 2.346 391 L HA 0.447 4.800 4.340 0.022 0.000 0.276 391 L C -1.949 175.108 176.870 0.312 0.000 1.006 391 L CA -2.152 52.794 54.840 0.177 0.000 0.817 391 L CB 2.021 43.985 42.059 -0.158 0.000 1.272 391 L HN 0.407 nan 8.230 nan 0.000 0.421 392 P HA 0.157 nan 4.420 nan 0.000 0.228 392 P C -0.619 176.865 177.300 0.307 0.000 1.748 392 P CA 0.455 63.746 63.100 0.319 0.000 0.909 392 P CB 0.185 32.000 31.700 0.190 0.000 1.882 393 I N -1.101 119.667 120.570 0.330 0.000 2.775 393 I HA 0.244 4.427 4.170 0.022 0.000 0.295 393 I C -1.013 175.041 176.117 -0.106 0.000 1.287 393 I CA -1.027 60.296 61.300 0.037 0.000 1.029 393 I CB 2.897 40.852 38.000 -0.075 0.000 1.282 393 I HN -0.153 nan 8.210 nan 0.000 0.426 394 Q N 5.250 124.843 119.800 -0.346 0.000 2.373 394 Q HA 0.192 4.545 4.340 0.022 0.000 0.255 394 Q C 0.488 176.567 176.000 0.131 0.000 0.980 394 Q CA -0.436 55.109 55.803 -0.429 0.000 0.882 394 Q CB 1.303 29.814 28.738 -0.378 0.000 1.249 394 Q HN 0.497 nan 8.270 nan 0.000 0.438 395 K N 1.781 122.301 120.400 0.201 0.000 2.280 395 K HA -0.174 4.159 4.320 0.022 0.000 0.202 395 K C 1.292 178.109 176.600 0.362 0.000 1.047 395 K CA 1.147 57.676 56.287 0.403 0.000 0.942 395 K CB 0.278 32.817 32.500 0.065 0.000 0.739 395 K HN 0.505 nan 8.250 nan 0.000 0.457 396 E N -0.029 120.274 120.200 0.172 0.000 2.112 396 E HA -0.055 4.308 4.350 0.022 0.000 0.190 396 E C 1.774 178.461 176.600 0.145 0.000 0.979 396 E CA 1.187 57.665 56.400 0.130 0.000 0.814 396 E CB -0.126 29.602 29.700 0.046 0.000 0.762 396 E HN 0.186 nan 8.360 nan 0.000 0.460 397 T N 0.423 115.057 114.554 0.132 0.000 2.708 397 T HA -0.173 4.190 4.350 0.022 0.000 0.266 397 T C 1.452 176.300 174.700 0.248 0.000 1.037 397 T CA 1.195 63.364 62.100 0.116 0.000 1.146 397 T CB -0.547 68.342 68.868 0.035 0.000 0.865 397 T HN 0.415 nan 8.240 nan 0.000 0.435 398 W N 2.086 123.493 121.300 0.179 0.000 2.311 398 W HA -0.254 4.417 4.660 0.018 0.000 0.326 398 W C 2.252 179.067 176.519 0.492 0.000 1.239 398 W CA 1.843 59.368 57.345 0.301 0.000 1.258 398 W CB -0.341 29.352 29.460 0.387 0.000 1.165 398 W HN 0.246 nan 8.180 nan 0.000 0.466 399 E N 0.066 120.471 120.200 0.342 0.000 2.065 399 E HA -0.242 4.121 4.350 0.022 0.000 0.201 399 E C 2.130 178.662 176.600 -0.112 0.000 1.016 399 E CA 3.345 59.843 56.400 0.163 0.000 0.818 399 E CB -0.736 29.088 29.700 0.207 0.000 0.749 399 E HN 0.130 nan 8.360 nan 0.000 0.453 400 T N -0.489 114.058 114.554 -0.012 0.000 2.746 400 T HA -0.174 4.189 4.350 0.022 0.000 0.267 400 T C 1.232 175.901 174.700 -0.051 0.000 1.039 400 T CA 1.385 63.456 62.100 -0.048 0.000 1.142 400 T CB -0.526 68.352 68.868 0.016 0.000 0.866 400 T HN 0.411 nan 8.240 nan 0.000 0.444 401 W N 0.859 122.056 121.300 -0.172 0.000 2.423 401 W HA -0.039 4.638 4.660 0.027 0.000 0.321 401 W C 2.224 178.598 176.519 -0.242 0.000 1.180 401 W CA 0.956 58.191 57.345 -0.183 0.000 1.322 401 W CB -0.918 28.437 29.460 -0.175 0.000 1.174 401 W HN 0.352 nan 8.180 nan 0.000 0.470 402 W N 1.432 122.390 121.300 -0.570 0.000 2.302 402 W HA -0.301 4.371 4.660 0.019 0.000 0.320 402 W C 2.233 178.405 176.519 -0.578 0.000 1.241 402 W CA 3.271 60.089 57.345 -0.878 0.000 1.264 402 W CB -1.467 27.249 29.460 -1.241 0.000 1.154 402 W HN -0.106 nan 8.180 nan 0.000 0.483 403 T N 0.076 113.893 114.554 -1.229 0.000 2.996 403 T HA -0.209 4.154 4.350 0.022 0.000 0.271 403 T C 1.001 175.340 174.700 -0.602 0.000 1.126 403 T CA 1.963 63.367 62.100 -1.160 0.000 1.103 403 T CB -0.309 67.955 68.868 -1.007 0.000 0.870 403 T HN 0.226 nan 8.240 nan 0.000 0.528 404 E N -1.119 118.795 120.200 -0.476 0.000 2.601 404 E HA 0.272 4.635 4.350 0.022 0.000 0.219 404 E C -0.615 175.835 176.600 -0.251 0.000 0.964 404 E CA -0.340 55.881 56.400 -0.300 0.000 1.050 404 E CB 0.261 29.837 29.700 -0.207 0.000 1.068 404 E HN 0.443 nan 8.360 nan 0.000 0.496 405 Y N 0.975 120.925 120.300 -0.585 0.000 2.397 405 Y HA -0.031 4.534 4.550 0.024 0.000 0.335 405 Y C 1.275 176.969 175.900 -0.343 0.000 1.213 405 Y CA -0.258 57.488 58.100 -0.590 0.000 1.391 405 Y CB 0.450 38.242 38.460 -1.112 0.000 1.293 405 Y HN 0.203 nan 8.280 nan 0.000 0.557 406 W N 3.733 124.589 121.300 -0.739 0.000 2.465 406 W HA -0.010 4.662 4.660 0.021 0.000 0.268 406 W C -0.474 175.832 176.519 -0.355 0.000 1.242 406 W CA 0.358 57.406 57.345 -0.496 0.000 1.248 406 W CB -0.123 29.033 29.460 -0.506 0.000 1.118 406 W HN 0.506 nan 8.180 nan 0.000 0.587 407 Q N 1.038 120.012 119.800 -1.376 0.000 2.306 407 Q HA 0.531 4.884 4.340 0.022 0.000 0.265 407 Q C -0.429 175.330 176.000 -0.402 0.000 1.022 407 Q CA -0.516 54.607 55.803 -1.134 0.000 0.853 407 Q CB 2.376 30.015 28.738 -1.832 0.000 1.327 407 Q HN 0.011 nan 8.270 nan 0.000 0.449 408 A N 2.081 124.764 122.820 -0.229 0.000 2.425 408 A HA 0.467 4.800 4.320 0.022 0.000 0.249 408 A C -0.129 177.458 177.584 0.005 0.000 1.084 408 A CA 0.339 52.344 52.037 -0.054 0.000 0.781 408 A CB 0.863 19.849 19.000 -0.024 0.000 1.019 408 A HN 0.657 nan 8.150 nan 0.000 0.490 409 T N 0.684 115.308 114.554 0.116 0.000 2.802 409 T HA 0.563 4.926 4.350 0.022 0.000 0.311 409 T C -2.156 172.722 174.700 0.297 0.000 1.405 409 T CA -0.261 61.951 62.100 0.186 0.000 1.016 409 T CB 0.891 69.899 68.868 0.232 0.000 1.352 409 T HN 1.330 nan 8.240 nan 0.000 0.498 410 W N 3.476 124.803 121.300 0.045 0.000 3.464 410 W HA 0.692 5.367 4.660 0.025 0.000 0.292 410 W C -2.620 173.790 176.519 -0.182 0.000 1.262 410 W CA -0.823 56.504 57.345 -0.030 0.000 1.202 410 W CB 0.953 30.363 29.460 -0.083 0.000 1.334 410 W HN 0.685 nan 8.180 nan 0.000 0.561 411 I N 6.746 126.610 120.570 -1.177 0.000 2.418 411 I HA 0.296 4.479 4.170 0.022 0.000 0.287 411 I C -1.751 173.253 176.117 -1.854 0.000 1.008 411 I CA -2.072 58.334 61.300 -1.491 0.000 1.104 411 I CB 1.851 38.808 38.000 -1.737 0.000 1.264 411 I HN 0.116 nan 8.210 nan 0.000 0.438 412 P HA -0.127 nan 4.420 nan 0.000 0.279 412 P C -0.244 176.852 177.300 -0.340 0.000 1.278 412 P CA -0.192 62.198 63.100 -1.183 0.000 0.846 412 P CB 0.339 31.779 31.700 -0.433 0.000 1.218 413 E N 0.838 121.031 120.200 -0.013 0.000 2.406 413 E HA -0.008 4.355 4.350 0.022 0.000 0.258 413 E C -0.777 175.911 176.600 0.147 0.000 1.043 413 E CA 0.023 56.457 56.400 0.056 0.000 0.929 413 E CB -0.011 29.725 29.700 0.060 0.000 0.969 413 E HN 0.327 nan 8.360 nan 0.000 0.462 414 W N 3.745 124.973 121.300 -0.121 0.000 3.040 414 W HA 0.662 5.331 4.660 0.015 0.000 0.344 414 W C -1.297 175.190 176.519 -0.052 0.000 1.201 414 W CA -1.071 56.225 57.345 -0.081 0.000 1.119 414 W CB 0.694 30.023 29.460 -0.219 0.000 1.478 414 W HN 0.505 nan 8.180 nan 0.000 0.586 415 E N 1.003 121.280 120.200 0.129 0.000 2.366 415 E HA 0.375 4.738 4.350 0.022 0.000 0.278 415 E C -2.081 174.687 176.600 0.279 0.000 0.923 415 E CA -0.738 55.624 56.400 -0.063 0.000 0.761 415 E CB 2.860 32.543 29.700 -0.029 0.000 1.231 415 E HN 0.269 nan 8.360 nan 0.000 0.443 416 F N 4.088 124.053 119.950 0.026 0.000 2.412 416 F HA 0.474 5.002 4.527 0.002 0.000 0.348 416 F C -1.100 174.767 175.800 0.111 0.000 1.102 416 F CA -0.376 57.740 58.000 0.194 0.000 1.196 416 F CB 1.250 40.337 39.000 0.144 0.000 1.144 416 F HN 0.146 nan 8.300 nan 0.000 0.541 417 V N 7.289 126.840 119.914 -0.604 0.000 2.569 417 V HA 0.297 4.430 4.120 0.022 0.000 0.301 417 V C -0.897 174.645 176.094 -0.920 0.000 1.044 417 V CA -0.833 61.057 62.300 -0.682 0.000 0.874 417 V CB 1.388 33.081 31.823 -0.217 0.000 1.002 417 V HN 0.821 nan 8.190 nan 0.000 0.424 418 N N 4.398 122.510 118.700 -0.978 0.000 2.671 418 N HA 0.189 4.942 4.740 0.022 0.000 0.274 418 N C -0.386 175.045 175.510 -0.132 0.000 1.188 418 N CA 0.203 53.008 53.050 -0.408 0.000 1.065 418 N CB 0.196 38.582 38.487 -0.168 0.000 1.415 418 N HN 0.708 nan 8.380 nan 0.000 0.511 419 T N 4.353 118.875 114.554 -0.053 0.000 3.241 419 T HA 0.307 4.670 4.350 0.022 0.000 0.387 419 T C -2.493 172.220 174.700 0.022 0.000 1.451 419 T CA -1.068 61.018 62.100 -0.024 0.000 1.363 419 T CB 1.170 70.013 68.868 -0.042 0.000 1.074 419 T HN 0.303 nan 8.240 nan 0.000 0.598 420 P HA 0.094 nan 4.420 nan 0.000 0.267 420 P C -2.211 175.095 177.300 0.010 0.000 1.195 420 P CA -0.842 62.277 63.100 0.033 0.000 0.773 420 P CB -0.110 31.608 31.700 0.030 0.000 0.837 421 P HA 0.155 nan 4.420 nan 0.000 0.276 421 P C -0.742 176.569 177.300 0.019 0.000 1.230 421 P CA 0.154 63.258 63.100 0.006 0.000 0.776 421 P CB 0.669 32.366 31.700 -0.006 0.000 0.888 422 L N 2.726 123.967 121.223 0.030 0.000 2.375 422 L HA 0.349 4.702 4.340 0.022 0.000 0.271 422 L C 0.969 177.820 176.870 -0.031 0.000 1.107 422 L CA -1.220 53.653 54.840 0.055 0.000 0.806 422 L CB 1.345 43.459 42.059 0.090 0.000 1.146 422 L HN 0.255 nan 8.230 nan 0.000 0.447 423 V N 1.031 120.937 119.914 -0.013 0.000 2.546 423 V HA 0.599 4.732 4.120 0.022 0.000 0.284 423 V C -0.291 175.692 176.094 -0.185 0.000 1.050 423 V CA -0.389 61.865 62.300 -0.078 0.000 0.981 423 V CB 1.128 32.987 31.823 0.060 0.000 0.990 423 V HN 0.964 nan 8.190 nan 0.000 0.474 424 K N 4.202 124.389 120.400 -0.355 0.000 2.533 424 K HA 0.669 5.002 4.320 0.022 0.000 0.284 424 K C -1.416 174.873 176.600 -0.519 0.000 1.025 424 K CA -1.158 54.897 56.287 -0.387 0.000 0.900 424 K CB 1.819 34.082 32.500 -0.396 0.000 1.519 424 K HN 0.589 nan 8.250 nan 0.000 0.432 425 L N 2.127 123.139 121.223 -0.352 0.000 2.315 425 L HA 0.215 4.568 4.340 0.022 0.000 0.283 425 L C 0.120 176.823 176.870 -0.278 0.000 1.089 425 L CA -0.536 54.142 54.840 -0.271 0.000 0.833 425 L CB 0.152 42.143 42.059 -0.114 0.000 1.170 425 L HN 0.678 nan 8.230 nan 0.000 0.442 426 W N 3.477 124.714 121.300 -0.105 0.000 2.525 426 W HA -0.075 4.597 4.660 0.020 0.000 0.259 426 W C 0.349 176.948 176.519 0.134 0.000 1.253 426 W CA 0.166 57.516 57.345 0.009 0.000 1.262 426 W CB -0.181 29.315 29.460 0.059 0.000 1.122 426 W HN 0.570 nan 8.180 nan 0.000 0.607 427 Y N -3.662 116.772 120.300 0.223 0.000 2.925 427 Y HA 0.512 5.075 4.550 0.021 0.000 0.349 427 Y C -1.437 174.544 175.900 0.135 0.000 1.342 427 Y CA -2.439 55.755 58.100 0.157 0.000 1.093 427 Y CB 0.338 38.892 38.460 0.156 0.000 1.571 427 Y HN -0.146 nan 8.280 nan 0.000 0.438 428 Q N 1.624 121.683 119.800 0.432 0.000 2.418 428 Q HA 0.462 4.815 4.340 0.022 0.000 0.240 428 Q C -1.726 174.470 176.000 0.325 0.000 0.859 428 Q CA -0.575 55.401 55.803 0.288 0.000 0.916 428 Q CB 2.565 31.393 28.738 0.149 0.000 1.448 428 Q HN 0.673 nan 8.270 nan 0.000 0.439 429 L N 2.357 123.785 121.223 0.341 0.000 2.485 429 L HA 0.078 4.430 4.340 0.022 0.000 0.275 429 L C 0.849 177.824 176.870 0.176 0.000 1.207 429 L CA -0.035 54.927 54.840 0.204 0.000 0.855 429 L CB 0.281 42.422 42.059 0.136 0.000 1.114 429 L HN 0.480 nan 8.230 nan 0.000 0.485 430 E N 2.148 122.469 120.200 0.201 0.000 2.438 430 E HA -0.091 4.272 4.350 0.022 0.000 0.261 430 E C 0.482 177.261 176.600 0.298 0.000 1.103 430 E CA 0.107 56.657 56.400 0.250 0.000 0.959 430 E CB 0.664 30.543 29.700 0.298 0.000 0.958 430 E HN 0.331 nan 8.360 nan 0.000 0.447 431 K N 0.687 121.207 120.400 0.201 0.000 2.098 431 K HA 0.007 4.340 4.320 0.022 0.000 0.203 431 K C 0.214 176.930 176.600 0.194 0.000 1.051 431 K CA 1.070 57.459 56.287 0.170 0.000 0.957 431 K CB 0.428 32.976 32.500 0.081 0.000 0.738 431 K HN 0.289 nan 8.250 nan 0.000 0.447 432 E N -0.400 119.823 120.200 0.037 0.000 2.336 432 E HA 0.346 4.709 4.350 0.022 0.000 0.267 432 E C -2.644 173.554 176.600 -0.671 0.000 0.906 432 E CA -2.663 53.580 56.400 -0.260 0.000 0.781 432 E CB 1.324 30.932 29.700 -0.153 0.000 1.261 432 E HN -0.203 nan 8.360 nan 0.000 0.436 433 P HA 0.074 nan 4.420 nan 0.000 0.267 433 P C -0.330 176.769 177.300 -0.334 0.000 1.200 433 P CA 0.275 62.775 63.100 -0.999 0.000 0.772 433 P CB 0.337 31.645 31.700 -0.653 0.000 0.855 434 I N 1.690 122.180 120.570 -0.134 0.000 2.352 434 I HA 0.103 4.286 4.170 0.022 0.000 0.290 434 I C 0.168 176.266 176.117 -0.031 0.000 1.036 434 I CA -0.677 60.596 61.300 -0.044 0.000 1.336 434 I CB 0.638 38.650 38.000 0.020 0.000 1.407 434 I HN -0.005 nan 8.210 nan 0.000 0.497 435 V N 6.991 126.887 119.914 -0.030 0.000 2.508 435 V HA 0.411 4.544 4.120 0.022 0.000 0.281 435 V C 1.113 177.209 176.094 0.003 0.000 1.041 435 V CA 1.258 63.549 62.300 -0.015 0.000 1.016 435 V CB 0.225 32.038 31.823 -0.017 0.000 0.984 435 V HN 1.182 nan 8.190 nan 0.000 0.478 436 G N 4.294 113.101 108.800 0.012 0.000 3.211 436 G HA2 -0.115 3.858 3.960 0.022 0.000 0.206 436 G HA3 -0.115 3.858 3.960 0.022 0.000 0.206 436 G C 0.648 175.568 174.900 0.034 0.000 1.418 436 G CA 0.082 45.195 45.100 0.021 0.000 0.958 436 G HN 1.553 nan 8.290 nan 0.000 0.567 437 A N 1.306 124.150 122.820 0.040 0.000 2.586 437 A HA 0.429 4.762 4.320 0.022 0.000 0.231 437 A C 0.610 178.243 177.584 0.081 0.000 1.055 437 A CA 1.483 53.557 52.037 0.062 0.000 0.756 437 A CB -0.019 19.019 19.000 0.063 0.000 0.988 437 A HN 1.084 nan 8.150 nan 0.000 0.509 438 E N 0.283 120.555 120.200 0.120 0.000 2.390 438 E HA 0.298 4.661 4.350 0.022 0.000 0.261 438 E C -0.575 176.141 176.600 0.194 0.000 1.076 438 E CA -0.018 56.465 56.400 0.138 0.000 0.905 438 E CB 0.494 30.302 29.700 0.179 0.000 0.984 438 E HN 0.588 nan 8.360 nan 0.000 0.427 439 T N 3.591 118.216 114.554 0.118 0.000 2.797 439 T HA 0.395 4.758 4.350 0.022 0.000 0.279 439 T C -1.081 173.670 174.700 0.086 0.000 0.991 439 T CA -0.409 61.756 62.100 0.110 0.000 0.979 439 T CB 0.245 69.129 68.868 0.027 0.000 0.943 439 T HN 0.244 nan 8.240 nan 0.000 0.444 440 F N 2.641 122.534 119.950 -0.094 0.000 2.366 440 F HA 0.374 4.915 4.527 0.023 0.000 0.366 440 F C -0.373 175.395 175.800 -0.053 0.000 1.096 440 F CA -1.402 56.581 58.000 -0.027 0.000 1.060 440 F CB 0.618 39.529 39.000 -0.148 0.000 1.282 440 F HN 0.555 nan 8.300 nan 0.000 0.450 441 Y N 3.480 123.889 120.300 0.182 0.000 2.613 441 Y HA 0.362 4.925 4.550 0.022 0.000 0.354 441 Y C 0.559 176.559 175.900 0.168 0.000 1.063 441 Y CA -0.740 57.436 58.100 0.127 0.000 1.384 441 Y CB 0.239 38.739 38.460 0.066 0.000 1.199 441 Y HN 0.378 nan 8.280 nan 0.000 0.517 442 V N -0.115 119.940 119.914 0.235 0.000 2.997 442 V HA 0.668 4.801 4.120 0.022 0.000 0.311 442 V C -0.338 175.849 176.094 0.155 0.000 1.066 442 V CA -0.561 61.874 62.300 0.225 0.000 1.039 442 V CB 2.078 34.005 31.823 0.172 0.000 1.081 442 V HN 0.588 nan 8.190 nan 0.000 0.467 443 D N 0.544 121.027 120.400 0.138 0.000 2.746 443 D HA 0.527 5.180 4.640 0.022 0.000 0.211 443 D C -0.714 175.634 176.300 0.080 0.000 1.242 443 D CA 0.148 54.204 54.000 0.092 0.000 0.790 443 D CB 1.937 42.785 40.800 0.080 0.000 1.744 443 D HN 1.193 nan 8.370 nan 0.000 0.520 444 G N 0.462 109.300 108.800 0.064 0.000 2.617 444 G HA2 0.771 4.744 3.960 0.022 0.000 0.306 444 G HA3 0.771 4.744 3.960 0.022 0.000 0.306 444 G C -1.369 173.559 174.900 0.046 0.000 1.360 444 G CA -0.496 44.636 45.100 0.054 0.000 0.983 444 G HN 0.463 nan 8.290 nan 0.000 0.496 445 A N 0.468 123.311 122.820 0.039 0.000 2.398 445 A HA 0.983 5.316 4.320 0.022 0.000 0.301 445 A C -0.298 177.302 177.584 0.028 0.000 1.041 445 A CA -0.092 51.967 52.037 0.037 0.000 0.711 445 A CB 1.716 20.738 19.000 0.037 0.000 1.240 445 A HN 2.162 nan 8.150 nan 0.000 0.420 446 A N 1.919 124.755 122.820 0.026 0.000 2.515 446 A HA 0.721 5.054 4.320 0.022 0.000 0.298 446 A C -0.854 176.741 177.584 0.019 0.000 1.059 446 A CA -0.713 51.335 52.037 0.019 0.000 0.698 446 A CB 1.200 20.209 19.000 0.016 0.000 1.289 446 A HN 0.799 nan 8.150 nan 0.000 0.404 447 N N 1.157 119.865 118.700 0.014 0.000 2.406 447 N HA 0.082 4.835 4.740 0.022 0.000 0.251 447 N C 0.720 176.237 175.510 0.012 0.000 1.069 447 N CA -0.356 52.701 53.050 0.013 0.000 0.947 447 N CB 0.728 39.221 38.487 0.009 0.000 1.111 447 N HN 0.572 nan 8.380 nan 0.000 0.497 448 R N 2.675 123.183 120.500 0.014 0.000 2.200 448 R HA -0.094 4.258 4.340 0.022 0.000 0.234 448 R C 0.828 177.134 176.300 0.010 0.000 1.127 448 R CA 1.118 57.225 56.100 0.013 0.000 0.989 448 R CB 0.166 30.476 30.300 0.016 0.000 0.869 448 R HN 0.717 nan 8.270 nan 0.000 0.459 449 E N -1.080 119.125 120.200 0.010 0.000 2.127 449 E HA -0.044 4.319 4.350 0.022 0.000 0.191 449 E C 1.626 178.230 176.600 0.007 0.000 0.964 449 E CA 1.321 57.725 56.400 0.008 0.000 0.832 449 E CB 0.091 29.796 29.700 0.007 0.000 0.790 449 E HN 0.361 nan 8.360 nan 0.000 0.465 450 T N -1.078 113.480 114.554 0.006 0.000 3.081 450 T HA 0.063 4.426 4.350 0.022 0.000 0.255 450 T C 0.776 175.479 174.700 0.006 0.000 1.113 450 T CA 0.094 62.197 62.100 0.005 0.000 1.082 450 T CB -0.140 68.731 68.868 0.005 0.000 0.939 450 T HN 0.025 nan 8.240 nan 0.000 0.506 451 K N 0.413 120.817 120.400 0.006 0.000 3.088 451 K HA -0.109 4.224 4.320 0.022 0.000 0.273 451 K C -0.544 176.060 176.600 0.006 0.000 1.111 451 K CA 0.128 56.419 56.287 0.006 0.000 0.803 451 K CB -1.467 31.036 32.500 0.005 0.000 1.226 451 K HN 0.352 nan 8.250 nan 0.000 0.485 452 L N 0.643 121.870 121.223 0.007 0.000 2.307 452 L HA 0.654 5.007 4.340 0.022 0.000 0.284 452 L C 0.761 177.636 176.870 0.009 0.000 1.023 452 L CA 0.388 55.232 54.840 0.007 0.000 0.810 452 L CB 1.444 43.507 42.059 0.006 0.000 1.231 452 L HN 0.303 nan 8.230 nan 0.000 0.423 453 G N 3.877 112.683 108.800 0.010 0.000 2.788 453 G HA2 0.658 4.631 3.960 0.022 0.000 0.293 453 G HA3 0.658 4.631 3.960 0.022 0.000 0.293 453 G C -1.550 173.359 174.900 0.014 0.000 1.392 453 G CA -0.474 44.634 45.100 0.014 0.000 0.810 453 G HN 0.449 nan 8.290 nan 0.000 0.508 454 K N -1.256 119.155 120.400 0.018 0.000 2.532 454 K HA 0.731 5.064 4.320 0.022 0.000 0.265 454 K C -1.246 175.371 176.600 0.029 0.000 0.948 454 K CA -0.692 55.606 56.287 0.018 0.000 0.842 454 K CB 2.767 35.273 32.500 0.011 0.000 1.392 454 K HN 0.929 nan 8.250 nan 0.000 0.436 455 A N 0.654 123.495 122.820 0.035 0.000 2.520 455 A HA 0.911 5.244 4.320 0.022 0.000 0.298 455 A C -0.935 176.688 177.584 0.065 0.000 1.051 455 A CA -0.271 51.800 52.037 0.057 0.000 0.690 455 A CB 2.038 21.079 19.000 0.069 0.000 1.281 455 A HN 0.783 nan 8.150 nan 0.000 0.402 456 G N -0.468 108.389 108.800 0.094 0.000 2.548 456 G HA2 0.737 4.710 3.960 0.022 0.000 0.301 456 G HA3 0.737 4.710 3.960 0.022 0.000 0.301 456 G C -1.452 173.569 174.900 0.201 0.000 1.349 456 G CA 0.206 45.359 45.100 0.088 0.000 0.792 456 G HN 2.031 nan 8.290 nan 0.000 0.481 457 Y N -2.450 117.904 120.300 0.090 0.000 2.625 457 Y HA 0.811 5.375 4.550 0.023 0.000 0.338 457 Y C -1.148 174.787 175.900 0.058 0.000 1.123 457 Y CA -1.638 56.534 58.100 0.121 0.000 1.046 457 Y CB 1.692 40.297 38.460 0.243 0.000 1.299 457 Y HN 0.623 nan 8.280 nan 0.000 0.464 458 V N 1.562 121.615 119.914 0.232 0.000 2.668 458 V HA 0.610 4.743 4.120 0.022 0.000 0.304 458 V C -0.277 175.903 176.094 0.144 0.000 1.071 458 V CA -0.221 62.125 62.300 0.078 0.000 0.894 458 V CB 1.413 33.248 31.823 0.021 0.000 1.008 458 V HN 1.108 nan 8.190 nan 0.000 0.425 459 T N -0.043 114.515 114.554 0.005 0.000 2.944 459 T HA 0.301 4.664 4.350 0.022 0.000 0.284 459 T C 1.135 175.832 174.700 -0.004 0.000 1.010 459 T CA -0.249 61.793 62.100 -0.097 0.000 1.025 459 T CB 1.468 70.046 68.868 -0.483 0.000 1.079 459 T HN 0.680 nan 8.240 nan 0.000 0.516 460 N N 1.459 120.189 118.700 0.051 0.000 2.309 460 N HA -0.137 4.616 4.740 0.022 0.000 0.182 460 N C 1.421 176.932 175.510 0.002 0.000 1.018 460 N CA 0.817 53.902 53.050 0.059 0.000 0.876 460 N CB -0.402 38.147 38.487 0.103 0.000 0.972 460 N HN 0.673 nan 8.380 nan 0.000 0.434 461 R N -0.704 119.776 120.500 -0.033 0.000 2.275 461 R HA 0.136 4.489 4.340 0.022 0.000 0.199 461 R C 1.035 177.314 176.300 -0.035 0.000 0.989 461 R CA 0.631 56.712 56.100 -0.032 0.000 1.016 461 R CB 0.150 30.428 30.300 -0.035 0.000 0.918 461 R HN 0.516 nan 8.270 nan 0.000 0.473 462 G N 0.802 109.574 108.800 -0.047 0.000 2.391 462 G HA2 -0.266 3.707 3.960 0.022 0.000 0.204 462 G HA3 -0.266 3.707 3.960 0.022 0.000 0.204 462 G C 0.171 175.042 174.900 -0.048 0.000 1.012 462 G CA -0.354 44.721 45.100 -0.042 0.000 0.651 462 G HN 0.273 nan 8.290 nan 0.000 0.494 463 R N 1.837 122.310 120.500 -0.045 0.000 2.640 463 R HA 0.418 4.770 4.340 0.022 0.000 0.270 463 R C 0.434 176.698 176.300 -0.059 0.000 1.024 463 R CA 1.259 57.357 56.100 -0.004 0.000 1.085 463 R CB 0.074 30.418 30.300 0.074 0.000 0.963 463 R HN 0.685 nan 8.270 nan 0.000 0.426 464 Q N 2.187 121.865 119.800 -0.204 0.000 2.534 464 Q HA 0.515 4.868 4.340 0.022 0.000 0.290 464 Q C -1.732 173.882 176.000 -0.643 0.000 0.991 464 Q CA -1.234 54.270 55.803 -0.498 0.000 0.783 464 Q CB 2.285 30.870 28.738 -0.255 0.000 1.470 464 Q HN 0.559 nan 8.270 nan 0.000 0.406 465 K N 0.269 120.212 120.400 -0.762 0.000 2.660 465 K HA 0.584 4.917 4.320 0.022 0.000 0.285 465 K C -2.154 174.274 176.600 -0.286 0.000 0.997 465 K CA -0.570 55.444 56.287 -0.454 0.000 0.861 465 K CB 2.382 34.648 32.500 -0.388 0.000 1.469 465 K HN 0.523 nan 8.250 nan 0.000 0.395 466 V N 1.397 121.232 119.914 -0.131 0.000 3.087 466 V HA 0.623 4.756 4.120 0.022 0.000 0.306 466 V C -1.337 174.742 176.094 -0.025 0.000 1.187 466 V CA -0.836 61.428 62.300 -0.060 0.000 0.999 466 V CB 2.212 34.002 31.823 -0.054 0.000 1.049 466 V HN 0.546 nan 8.190 nan 0.000 0.431 467 V N 1.298 121.212 119.914 -0.000 0.000 2.668 467 V HA 0.454 4.587 4.120 0.022 0.000 0.304 467 V C -0.143 175.957 176.094 0.010 0.000 1.071 467 V CA -0.424 61.880 62.300 0.007 0.000 0.894 467 V CB 2.410 34.244 31.823 0.019 0.000 1.008 467 V HN 0.950 nan 8.190 nan 0.000 0.425 468 T N 6.334 120.892 114.554 0.006 0.000 2.889 468 T HA 0.714 5.076 4.350 0.022 0.000 0.291 468 T C -0.380 174.326 174.700 0.011 0.000 0.995 468 T CA -0.112 61.992 62.100 0.007 0.000 1.092 468 T CB 0.555 69.424 68.868 0.002 0.000 0.954 468 T HN 0.398 nan 8.240 nan 0.000 0.506 469 L N 2.799 124.029 121.223 0.012 0.000 2.408 469 L HA 0.626 4.979 4.340 0.022 0.000 0.268 469 L C 0.328 177.203 176.870 0.010 0.000 0.986 469 L CA -1.086 53.762 54.840 0.013 0.000 0.820 469 L CB 2.326 44.395 42.059 0.017 0.000 1.303 469 L HN 0.692 nan 8.230 nan 0.000 0.411 470 T N -2.826 111.733 114.554 0.009 0.000 2.885 470 T HA 0.431 4.794 4.350 0.022 0.000 0.285 470 T C -0.043 174.661 174.700 0.006 0.000 1.019 470 T CA -0.518 61.586 62.100 0.007 0.000 1.010 470 T CB 1.771 70.643 68.868 0.006 0.000 1.022 470 T HN 0.686 nan 8.240 nan 0.000 0.466 471 D N 0.032 120.435 120.400 0.005 0.000 2.699 471 D HA -0.163 4.490 4.640 0.022 0.000 0.239 471 D C 0.004 176.305 176.300 0.002 0.000 1.136 471 D CA 1.630 55.632 54.000 0.003 0.000 0.668 471 D CB -1.101 39.701 40.800 0.003 0.000 1.060 471 D HN 0.898 nan 8.370 nan 0.000 0.429 472 T N -1.463 113.093 114.554 0.003 0.000 2.804 472 T HA 0.848 5.210 4.350 0.022 0.000 0.272 472 T C -0.186 174.514 174.700 -0.001 0.000 0.986 472 T CA 0.505 62.606 62.100 0.001 0.000 0.999 472 T CB 1.464 70.335 68.868 0.005 0.000 1.307 472 T HN 0.304 nan 8.240 nan 0.000 0.586 473 T N -0.897 113.654 114.554 -0.004 0.000 2.883 473 T HA 0.395 4.758 4.350 0.022 0.000 0.301 473 T C 0.750 175.448 174.700 -0.002 0.000 1.158 473 T CA -0.797 61.301 62.100 -0.004 0.000 1.007 473 T CB 1.246 70.108 68.868 -0.011 0.000 1.186 473 T HN 0.577 nan 8.240 nan 0.000 0.499 474 N N 0.352 119.056 118.700 0.006 0.000 2.104 474 N HA -0.226 4.527 4.740 0.022 0.000 0.190 474 N C 2.071 177.582 175.510 0.003 0.000 1.024 474 N CA 2.033 55.091 53.050 0.014 0.000 0.853 474 N CB -0.156 38.347 38.487 0.027 0.000 1.008 474 N HN 0.803 nan 8.380 nan 0.000 0.424 475 Q N 0.781 120.572 119.800 -0.014 0.000 2.061 475 Q HA -0.186 4.167 4.340 0.022 0.000 0.204 475 Q C 1.678 177.630 176.000 -0.079 0.000 0.984 475 Q CA 1.447 57.220 55.803 -0.050 0.000 0.846 475 Q CB -0.220 28.472 28.738 -0.077 0.000 0.902 475 Q HN 0.204 nan 8.270 nan 0.000 0.421 476 K N 0.566 120.925 120.400 -0.068 0.000 2.020 476 K HA -0.184 4.149 4.320 0.022 0.000 0.212 476 K C 2.485 179.069 176.600 -0.027 0.000 1.050 476 K CA 2.240 58.490 56.287 -0.062 0.000 0.929 476 K CB -0.642 31.834 32.500 -0.040 0.000 0.714 476 K HN 0.616 nan 8.250 nan 0.000 0.443 477 T N 0.086 114.638 114.554 -0.003 0.000 2.597 477 T HA -0.248 4.115 4.350 0.022 0.000 0.267 477 T C 1.727 176.444 174.700 0.028 0.000 1.053 477 T CA 1.746 63.858 62.100 0.020 0.000 1.165 477 T CB -0.704 68.179 68.868 0.025 0.000 0.863 477 T HN 0.323 nan 8.240 nan 0.000 0.427 478 E N 1.521 121.734 120.200 0.021 0.000 2.108 478 E HA -0.152 4.211 4.350 0.022 0.000 0.203 478 E C 2.298 178.915 176.600 0.028 0.000 1.022 478 E CA 1.693 58.112 56.400 0.033 0.000 0.823 478 E CB -0.619 29.101 29.700 0.033 0.000 0.744 478 E HN 0.519 nan 8.360 nan 0.000 0.456 479 L N 0.384 121.600 121.223 -0.012 0.000 2.005 479 L HA -0.223 4.130 4.340 0.022 0.000 0.207 479 L C 2.770 179.663 176.870 0.039 0.000 1.072 479 L CA 1.223 56.048 54.840 -0.026 0.000 0.744 479 L CB -0.459 41.531 42.059 -0.116 0.000 0.895 479 L HN 0.106 nan 8.230 nan 0.000 0.433 480 Q N 0.532 120.369 119.800 0.061 0.000 2.197 480 Q HA -0.213 4.140 4.340 0.022 0.000 0.207 480 Q C 2.111 178.193 176.000 0.137 0.000 0.984 480 Q CA 1.996 57.884 55.803 0.141 0.000 0.869 480 Q CB -0.285 28.520 28.738 0.111 0.000 0.906 480 Q HN 0.454 nan 8.270 nan 0.000 0.426 481 A N 0.133 123.015 122.820 0.104 0.000 1.883 481 A HA -0.183 4.150 4.320 0.022 0.000 0.217 481 A C 2.099 179.743 177.584 0.101 0.000 1.186 481 A CA 1.750 53.862 52.037 0.125 0.000 0.624 481 A CB -0.789 18.280 19.000 0.114 0.000 0.822 481 A HN 0.486 nan 8.150 nan 0.000 0.444 482 I N -1.972 118.640 120.570 0.071 0.000 2.315 482 I HA -0.224 3.959 4.170 0.022 0.000 0.248 482 I C 2.469 178.610 176.117 0.039 0.000 1.117 482 I CA 1.358 62.672 61.300 0.023 0.000 1.404 482 I CB -0.490 37.520 38.000 0.018 0.000 1.071 482 I HN 0.479 nan 8.210 nan 0.000 0.419 483 Y N 2.098 122.355 120.300 -0.071 0.000 2.049 483 Y HA -0.257 4.306 4.550 0.021 0.000 0.277 483 Y C 2.327 178.167 175.900 -0.099 0.000 1.143 483 Y CA 1.504 59.555 58.100 -0.081 0.000 1.115 483 Y CB -0.858 37.572 38.460 -0.050 0.000 0.975 483 Y HN 0.024 nan 8.280 nan 0.000 0.487 484 L N -0.168 120.978 121.223 -0.129 0.000 2.043 484 L HA -0.295 4.058 4.340 0.022 0.000 0.212 484 L C 2.788 179.492 176.870 -0.278 0.000 1.075 484 L CA 1.331 56.048 54.840 -0.205 0.000 0.752 484 L CB -1.182 40.894 42.059 0.028 0.000 0.891 484 L HN 0.312 nan 8.230 nan 0.000 0.432 485 A N 0.425 123.051 122.820 -0.322 0.000 1.884 485 A HA -0.238 4.095 4.320 0.022 0.000 0.219 485 A C 2.242 179.310 177.584 -0.860 0.000 1.197 485 A CA 1.966 53.557 52.037 -0.744 0.000 0.637 485 A CB -0.854 17.856 19.000 -0.483 0.000 0.827 485 A HN 0.376 nan 8.150 nan 0.000 0.450 486 L N -1.031 119.921 121.223 -0.451 0.000 2.056 486 L HA -0.246 4.107 4.340 0.022 0.000 0.207 486 L C 2.946 179.659 176.870 -0.262 0.000 1.078 486 L CA 1.648 56.293 54.840 -0.324 0.000 0.749 486 L CB -0.632 41.347 42.059 -0.132 0.000 0.901 486 L HN 0.480 nan 8.230 nan 0.000 0.433 487 Q N -0.022 119.635 119.800 -0.239 0.000 2.030 487 Q HA -0.225 4.128 4.340 0.022 0.000 0.204 487 Q C 1.411 177.317 176.000 -0.155 0.000 0.986 487 Q CA 1.733 57.414 55.803 -0.203 0.000 0.843 487 Q CB -0.183 28.367 28.738 -0.314 0.000 0.904 487 Q HN 0.531 nan 8.270 nan 0.000 0.420 488 D N 0.471 120.768 120.400 -0.172 0.000 2.349 488 D HA -0.008 4.645 4.640 0.022 0.000 0.224 488 D C 0.382 176.683 176.300 0.002 0.000 1.029 488 D CA 0.296 54.275 54.000 -0.035 0.000 0.879 488 D CB 0.122 40.985 40.800 0.106 0.000 0.906 488 D HN 0.144 nan 8.370 nan 0.000 0.528 489 S N -0.535 115.053 115.700 -0.186 0.000 2.654 489 S HA 0.622 5.104 4.470 0.022 0.000 0.283 489 S C 0.840 175.413 174.600 -0.044 0.000 1.180 489 S CA -0.773 57.357 58.200 -0.116 0.000 1.021 489 S CB 2.283 65.188 63.200 -0.493 0.000 1.018 489 S HN 0.069 nan 8.310 nan 0.000 0.532 490 G N 0.365 109.178 108.800 0.022 0.000 2.481 490 G HA2 0.290 4.263 3.960 0.022 0.000 0.251 490 G HA3 0.290 4.263 3.960 0.022 0.000 0.251 490 G C 0.508 175.405 174.900 -0.004 0.000 1.492 490 G CA -0.550 44.561 45.100 0.018 0.000 1.060 490 G HN 0.543 nan 8.290 nan 0.000 0.553 491 L N -0.163 121.066 121.223 0.011 0.000 2.291 491 L HA 0.218 4.571 4.340 0.022 0.000 0.214 491 L C 1.193 178.070 176.870 0.010 0.000 1.120 491 L CA 1.007 55.853 54.840 0.010 0.000 0.799 491 L CB -0.991 41.081 42.059 0.021 0.000 0.925 491 L HN 0.457 nan 8.230 nan 0.000 0.446 492 E N -0.934 119.277 120.200 0.018 0.000 2.199 492 E HA 0.580 4.943 4.350 0.022 0.000 0.265 492 E C -1.208 175.407 176.600 0.024 0.000 0.882 492 E CA -0.347 56.069 56.400 0.026 0.000 0.759 492 E CB 2.636 32.359 29.700 0.039 0.000 1.148 492 E HN -0.212 nan 8.360 nan 0.000 0.412 493 V N 2.387 122.307 119.914 0.010 0.000 2.808 493 V HA 0.386 4.519 4.120 0.022 0.000 0.308 493 V C -0.701 175.418 176.094 0.042 0.000 1.099 493 V CA -1.193 61.103 62.300 -0.007 0.000 0.920 493 V CB 2.099 33.818 31.823 -0.174 0.000 1.014 493 V HN 0.605 nan 8.190 nan 0.000 0.425 494 N N 3.968 122.725 118.700 0.095 0.000 2.446 494 N HA 0.672 5.425 4.740 0.022 0.000 0.265 494 N C -1.097 174.455 175.510 0.071 0.000 0.975 494 N CA -0.192 52.934 53.050 0.127 0.000 0.928 494 N CB 2.210 40.771 38.487 0.124 0.000 1.160 494 N HN 0.643 nan 8.380 nan 0.000 0.495 495 I N 1.324 121.900 120.570 0.009 0.000 2.465 495 I HA 0.414 4.596 4.170 0.022 0.000 0.291 495 I C 0.144 176.220 176.117 -0.069 0.000 1.014 495 I CA -1.280 59.998 61.300 -0.036 0.000 1.093 495 I CB 2.094 40.046 38.000 -0.080 0.000 1.267 495 I HN 0.099 nan 8.210 nan 0.000 0.431 496 V N 2.541 122.384 119.914 -0.118 0.000 2.715 496 V HA 0.899 5.032 4.120 0.022 0.000 0.310 496 V C -0.605 175.458 176.094 -0.051 0.000 1.054 496 V CA 0.087 62.315 62.300 -0.120 0.000 0.928 496 V CB 1.951 33.625 31.823 -0.248 0.000 1.007 496 V HN 0.896 nan 8.190 nan 0.000 0.437 497 T N 2.081 116.604 114.554 -0.050 0.000 2.786 497 T HA 0.434 4.796 4.350 0.022 0.000 0.316 497 T C -0.635 173.949 174.700 -0.194 0.000 1.503 497 T CA 0.348 62.423 62.100 -0.041 0.000 1.019 497 T CB 1.851 70.743 68.868 0.040 0.000 1.415 497 T HN 1.095 nan 8.240 nan 0.000 0.496 498 D N 0.249 120.527 120.400 -0.202 0.000 2.395 498 D HA 0.277 4.930 4.640 0.022 0.000 0.213 498 D C 0.430 176.781 176.300 0.086 0.000 1.110 498 D CA -0.265 53.480 54.000 -0.424 0.000 0.835 498 D CB 0.460 41.059 40.800 -0.335 0.000 0.965 498 D HN 0.289 nan 8.370 nan 0.000 0.505 499 S N 0.597 116.432 115.700 0.225 0.000 2.465 499 S HA -0.039 4.443 4.470 0.022 0.000 0.280 499 S C 1.232 176.101 174.600 0.449 0.000 1.232 499 S CA -0.444 57.933 58.200 0.296 0.000 1.066 499 S CB 0.779 64.093 63.200 0.190 0.000 0.929 499 S HN 0.210 nan 8.310 nan 0.000 0.494 500 Q N 3.777 123.787 119.800 0.351 0.000 2.135 500 Q HA -0.182 4.171 4.340 0.022 0.000 0.204 500 Q C 1.148 177.140 176.000 -0.013 0.000 0.981 500 Q CA 1.727 57.581 55.803 0.085 0.000 0.856 500 Q CB -0.253 28.512 28.738 0.045 0.000 0.902 500 Q HN 1.003 nan 8.270 nan 0.000 0.425 501 Y N 0.426 120.712 120.300 -0.024 0.000 2.224 501 Y HA -0.219 4.343 4.550 0.021 0.000 0.289 501 Y C 2.103 177.974 175.900 -0.049 0.000 1.146 501 Y CA 1.460 59.526 58.100 -0.057 0.000 1.182 501 Y CB -0.299 38.134 38.460 -0.045 0.000 0.983 501 Y HN 0.152 nan 8.280 nan 0.000 0.524 502 A N -0.606 122.349 122.820 0.225 0.000 2.015 502 A HA -0.149 4.184 4.320 0.022 0.000 0.219 502 A C 2.104 179.704 177.584 0.027 0.000 1.163 502 A CA 1.470 53.602 52.037 0.158 0.000 0.646 502 A CB -0.991 18.119 19.000 0.183 0.000 0.806 502 A HN 0.488 nan 8.150 nan 0.000 0.448 503 L N 0.096 121.265 121.223 -0.089 0.000 2.046 503 L HA -0.019 4.333 4.340 0.022 0.000 0.208 503 L C 2.425 179.150 176.870 -0.242 0.000 1.077 503 L CA 2.116 56.795 54.840 -0.269 0.000 0.747 503 L CB -1.122 40.563 42.059 -0.624 0.000 0.896 503 L HN 0.316 nan 8.230 nan 0.000 0.432 504 G N -0.184 108.454 108.800 -0.269 0.000 2.459 504 G HA2 -0.287 3.686 3.960 0.022 0.000 0.217 504 G HA3 -0.287 3.686 3.960 0.022 0.000 0.217 504 G C 1.632 176.442 174.900 -0.150 0.000 1.183 504 G CA 1.241 46.159 45.100 -0.304 0.000 0.776 504 G HN 0.473 nan 8.290 nan 0.000 0.552 505 I N 0.652 121.186 120.570 -0.060 0.000 2.335 505 I HA -0.167 4.016 4.170 0.022 0.000 0.251 505 I C 2.582 178.749 176.117 0.084 0.000 1.129 505 I CA 0.709 62.057 61.300 0.081 0.000 1.402 505 I CB -0.193 37.889 38.000 0.136 0.000 1.069 505 I HN 0.185 nan 8.210 nan 0.000 0.424 506 I N -0.001 120.573 120.570 0.007 0.000 2.252 506 I HA -0.279 3.904 4.170 0.022 0.000 0.245 506 I C 2.684 178.806 176.117 0.007 0.000 1.102 506 I CA 1.346 62.647 61.300 0.001 0.000 1.385 506 I CB -0.332 37.634 38.000 -0.056 0.000 1.064 506 I HN 0.313 nan 8.210 nan 0.000 0.414 507 Q N 0.847 120.609 119.800 -0.063 0.000 2.020 507 Q HA -0.158 4.195 4.340 0.022 0.000 0.198 507 Q C 2.321 178.337 176.000 0.026 0.000 0.974 507 Q CA 1.774 57.523 55.803 -0.090 0.000 0.829 507 Q CB -0.057 28.515 28.738 -0.276 0.000 0.894 507 Q HN 0.515 nan 8.270 nan 0.000 0.433 508 A N 0.069 122.923 122.820 0.058 0.000 1.930 508 A HA -0.086 4.246 4.320 0.022 0.000 0.215 508 A C 0.548 178.373 177.584 0.401 0.000 1.176 508 A CA 0.742 52.951 52.037 0.287 0.000 0.632 508 A CB -0.126 19.026 19.000 0.253 0.000 0.819 508 A HN 0.579 nan 8.150 nan 0.000 0.445 509 Q N -0.711 119.278 119.800 0.314 0.000 2.443 509 Q HA -0.128 4.224 4.340 0.022 0.000 0.337 509 Q C -2.262 173.947 176.000 0.348 0.000 1.401 509 Q CA 0.357 56.385 55.803 0.376 0.000 0.943 509 Q CB -1.647 27.270 28.738 0.299 0.000 1.177 509 Q HN 0.612 nan 8.270 nan 0.000 0.394 510 P HA 0.015 nan 4.420 nan 0.000 0.274 510 P C -0.174 177.307 177.300 0.302 0.000 1.237 510 P CA 0.233 63.526 63.100 0.322 0.000 0.793 510 P CB 0.702 32.612 31.700 0.350 0.000 0.977 511 D N -0.513 120.018 120.400 0.219 0.000 2.571 511 D HA 0.105 4.758 4.640 0.022 0.000 0.239 511 D C -0.032 176.301 176.300 0.056 0.000 1.267 511 D CA -0.265 53.835 54.000 0.167 0.000 0.823 511 D CB 0.060 40.987 40.800 0.212 0.000 1.056 511 D HN 0.488 nan 8.370 nan 0.000 0.494 512 Q N -2.011 117.854 119.800 0.108 0.000 2.574 512 Q HA 0.544 4.897 4.340 0.022 0.000 0.265 512 Q C -1.637 174.445 176.000 0.136 0.000 0.975 512 Q CA -0.945 54.901 55.803 0.073 0.000 0.923 512 Q CB 1.276 30.049 28.738 0.058 0.000 1.518 512 Q HN -0.019 nan 8.270 nan 0.000 0.401 513 S N -0.461 115.301 115.700 0.103 0.000 2.588 513 S HA 0.218 4.700 4.470 0.022 0.000 0.269 513 S C -0.092 174.556 174.600 0.081 0.000 1.157 513 S CA 0.025 58.308 58.200 0.137 0.000 0.824 513 S CB 1.716 64.994 63.200 0.130 0.000 1.126 513 S HN 0.815 nan 8.310 nan 0.000 0.464 514 E N 0.660 120.915 120.200 0.091 0.000 2.274 514 E HA 0.062 4.425 4.350 0.022 0.000 0.194 514 E C 0.548 177.158 176.600 0.016 0.000 0.996 514 E CA 0.605 57.038 56.400 0.056 0.000 0.840 514 E CB 0.013 29.755 29.700 0.071 0.000 0.772 514 E HN 0.296 nan 8.360 nan 0.000 0.491 515 S N 0.488 116.187 115.700 -0.001 0.000 2.430 515 S HA 0.105 4.588 4.470 0.022 0.000 0.289 515 S C 0.703 175.265 174.600 -0.064 0.000 1.143 515 S CA -0.585 57.587 58.200 -0.047 0.000 1.067 515 S CB 1.531 64.673 63.200 -0.097 0.000 0.964 515 S HN 0.273 nan 8.310 nan 0.000 0.485 516 E N 4.482 124.642 120.200 -0.066 0.000 2.097 516 E HA -0.167 4.196 4.350 0.022 0.000 0.196 516 E C 1.651 178.172 176.600 -0.132 0.000 1.000 516 E CA 1.744 58.095 56.400 -0.082 0.000 0.804 516 E CB -0.303 29.358 29.700 -0.065 0.000 0.740 516 E HN 0.844 nan 8.360 nan 0.000 0.454 517 L N -0.360 120.777 121.223 -0.143 0.000 1.971 517 L HA -0.250 4.103 4.340 0.022 0.000 0.215 517 L C 2.300 179.020 176.870 -0.249 0.000 1.072 517 L CA 1.752 56.470 54.840 -0.204 0.000 0.758 517 L CB -0.435 41.527 42.059 -0.161 0.000 0.889 517 L HN 0.158 nan 8.230 nan 0.000 0.433 518 V N 0.440 120.246 119.914 -0.181 0.000 2.252 518 V HA -0.366 3.767 4.120 0.022 0.000 0.249 518 V C 2.293 178.313 176.094 -0.124 0.000 1.056 518 V CA 2.213 64.433 62.300 -0.133 0.000 1.022 518 V CB -1.024 30.764 31.823 -0.058 0.000 0.641 518 V HN 0.545 nan 8.190 nan 0.000 0.445 519 N N 0.196 118.829 118.700 -0.111 0.000 2.037 519 N HA -0.253 4.500 4.740 0.022 0.000 0.196 519 N C 1.906 177.317 175.510 -0.166 0.000 1.034 519 N CA 1.972 54.958 53.050 -0.106 0.000 0.861 519 N CB -0.535 37.892 38.487 -0.099 0.000 1.039 519 N HN 0.635 nan 8.380 nan 0.000 0.427 520 Q N 0.304 119.948 119.800 -0.261 0.000 2.045 520 Q HA -0.115 4.238 4.340 0.022 0.000 0.206 520 Q C 2.256 178.021 176.000 -0.391 0.000 0.991 520 Q CA 1.394 56.960 55.803 -0.395 0.000 0.851 520 Q CB -0.307 27.991 28.738 -0.733 0.000 0.911 520 Q HN 0.457 nan 8.270 nan 0.000 0.418 521 I N 0.590 120.916 120.570 -0.407 0.000 2.194 521 I HA -0.315 3.868 4.170 0.022 0.000 0.246 521 I C 2.281 178.305 176.117 -0.154 0.000 1.093 521 I CA 1.224 62.383 61.300 -0.236 0.000 1.355 521 I CB -0.559 37.340 38.000 -0.168 0.000 1.046 521 I HN 0.220 nan 8.210 nan 0.000 0.413 522 I N 0.565 121.062 120.570 -0.122 0.000 2.163 522 I HA -0.274 3.909 4.170 0.022 0.000 0.243 522 I C 2.664 178.741 176.117 -0.067 0.000 1.085 522 I CA 1.368 62.630 61.300 -0.063 0.000 1.347 522 I CB -0.618 37.392 38.000 0.018 0.000 1.044 522 I HN 0.261 nan 8.210 nan 0.000 0.408 523 E N 0.701 120.849 120.200 -0.087 0.000 2.085 523 E HA -0.240 4.123 4.350 0.022 0.000 0.194 523 E C 2.197 178.781 176.600 -0.027 0.000 0.994 523 E CA 1.226 57.589 56.400 -0.062 0.000 0.801 523 E CB -0.386 29.270 29.700 -0.072 0.000 0.743 523 E HN 0.547 nan 8.360 nan 0.000 0.453 524 Q N 0.269 120.051 119.800 -0.030 0.000 2.079 524 Q HA -0.039 4.314 4.340 0.022 0.000 0.200 524 Q C 2.618 178.583 176.000 -0.059 0.000 0.974 524 Q CA 0.629 56.429 55.803 -0.005 0.000 0.840 524 Q CB -0.357 28.415 28.738 0.057 0.000 0.898 524 Q HN 0.333 nan 8.270 nan 0.000 0.430 525 L N 0.304 121.447 121.223 -0.134 0.000 1.955 525 L HA -0.224 4.129 4.340 0.022 0.000 0.213 525 L C 2.477 179.273 176.870 -0.123 0.000 1.072 525 L CA 1.226 55.913 54.840 -0.256 0.000 0.755 525 L CB -0.718 40.976 42.059 -0.609 0.000 0.888 525 L HN 0.166 nan 8.230 nan 0.000 0.432 526 I N -0.249 120.321 120.570 -0.000 0.000 2.236 526 I HA -0.374 3.809 4.170 0.022 0.000 0.249 526 I C 2.511 178.709 176.117 0.135 0.000 1.102 526 I CA 1.562 62.984 61.300 0.204 0.000 1.365 526 I CB -0.461 37.688 38.000 0.248 0.000 1.051 526 I HN 0.288 nan 8.210 nan 0.000 0.420 527 K N 0.574 121.013 120.400 0.064 0.000 2.097 527 K HA -0.051 4.281 4.320 0.022 0.000 0.205 527 K C 0.662 177.286 176.600 0.040 0.000 1.050 527 K CA 0.610 56.929 56.287 0.053 0.000 0.938 527 K CB 0.009 32.528 32.500 0.031 0.000 0.718 527 K HN 0.149 nan 8.250 nan 0.000 0.442 528 K N 1.559 121.968 120.400 0.015 0.000 2.414 528 K HA -0.033 4.300 4.320 0.022 0.000 0.272 528 K C 0.799 177.422 176.600 0.039 0.000 0.993 528 K CA 0.530 56.822 56.287 0.007 0.000 0.964 528 K CB 0.653 33.136 32.500 -0.028 0.000 0.925 528 K HN 0.178 nan 8.250 nan 0.000 0.487 529 E N 1.438 121.660 120.200 0.037 0.000 2.158 529 E HA -0.079 4.283 4.350 0.022 0.000 0.191 529 E C -0.258 176.377 176.600 0.058 0.000 0.982 529 E CA 1.147 57.577 56.400 0.050 0.000 0.823 529 E CB 0.307 30.032 29.700 0.041 0.000 0.766 529 E HN 0.346 nan 8.360 nan 0.000 0.468 530 K N -0.044 120.385 120.400 0.048 0.000 2.542 530 K HA 0.449 4.782 4.320 0.022 0.000 0.259 530 K C -1.586 175.041 176.600 0.045 0.000 0.932 530 K CA -0.488 55.835 56.287 0.061 0.000 0.820 530 K CB 3.164 35.701 32.500 0.062 0.000 1.345 530 K HN -0.225 nan 8.250 nan 0.000 0.432 531 V N 2.181 122.131 119.914 0.060 0.000 2.777 531 V HA 0.316 4.449 4.120 0.022 0.000 0.306 531 V C -1.790 174.362 176.094 0.097 0.000 1.112 531 V CA -0.928 61.390 62.300 0.031 0.000 0.917 531 V CB 1.747 33.537 31.823 -0.056 0.000 1.018 531 V HN 0.781 nan 8.190 nan 0.000 0.426 532 Y N 5.246 125.541 120.300 -0.009 0.000 2.338 532 Y HA 0.763 5.326 4.550 0.021 0.000 0.328 532 Y C -1.138 174.762 175.900 0.001 0.000 0.965 532 Y CA -0.831 57.274 58.100 0.008 0.000 1.208 532 Y CB 1.475 39.941 38.460 0.011 0.000 1.132 532 Y HN 0.580 nan 8.280 nan 0.000 0.469 533 L N 5.527 126.365 121.223 -0.642 0.000 2.312 533 L HA 0.818 5.171 4.340 0.022 0.000 0.281 533 L C -0.456 175.993 176.870 -0.701 0.000 1.070 533 L CA -0.279 54.284 54.840 -0.462 0.000 0.805 533 L CB 1.455 43.373 42.059 -0.235 0.000 1.174 533 L HN 0.784 nan 8.230 nan 0.000 0.434 534 A N 3.284 125.930 122.820 -0.290 0.000 2.398 534 A HA 0.584 4.916 4.320 0.022 0.000 0.301 534 A C -1.900 175.729 177.584 0.075 0.000 1.041 534 A CA -0.532 51.457 52.037 -0.080 0.000 0.711 534 A CB 0.724 19.803 19.000 0.132 0.000 1.240 534 A HN 0.707 nan 8.150 nan 0.000 0.420 535 W N 3.009 124.275 121.300 -0.057 0.000 2.570 535 W HA 0.645 5.317 4.660 0.021 0.000 0.337 535 W C -0.880 175.636 176.519 -0.005 0.000 1.067 535 W CA -0.402 56.923 57.345 -0.033 0.000 1.229 535 W CB 1.869 31.303 29.460 -0.043 0.000 1.355 535 W HN 0.920 nan 8.180 nan 0.000 0.555 536 V N 3.300 122.655 119.914 -0.930 0.000 2.888 536 V HA 0.644 4.777 4.120 0.022 0.000 0.309 536 V C -2.530 172.522 176.094 -1.736 0.000 1.114 536 V CA -2.846 58.891 62.300 -0.939 0.000 0.940 536 V CB 1.568 33.150 31.823 -0.401 0.000 1.021 536 V HN 0.546 nan 8.190 nan 0.000 0.426 537 P HA 0.218 nan 4.420 nan 0.000 0.265 537 P C 0.066 177.057 177.300 -0.515 0.000 1.193 537 P CA 0.601 63.200 63.100 -0.834 0.000 0.765 537 P CB 0.863 32.420 31.700 -0.238 0.000 0.823 538 A N 4.016 126.585 122.820 -0.419 0.000 2.366 538 A HA 0.436 4.769 4.320 0.022 0.000 0.249 538 A C 0.060 177.427 177.584 -0.361 0.000 1.084 538 A CA 0.408 52.200 52.037 -0.409 0.000 0.794 538 A CB -0.544 18.150 19.000 -0.509 0.000 1.034 538 A HN 0.795 nan 8.150 nan 0.000 0.491 539 H N 0.000 119.041 119.070 -0.048 0.000 2.539 539 H HA 0.000 4.569 4.556 0.022 0.000 0.296 539 H CA 0.000 56.031 56.048 -0.029 0.000 1.023 539 H CB 0.000 29.755 29.762 -0.012 0.000 1.292 539 H HN 0.000 nan 8.280 nan 0.000 0.496