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 9gpb_1_A DATA FIRST_RESID 10 DATA SEQUENCE RKQISVRGLA GVENVTELKK NFNRHLHFTL VKDRNVATPR DYYFALAHTV DATA SEQUENCE RDHLVGRWIR TQQHYYEKDP KRIYYLSLEF YMGRTLQNTM VNLALENACD DATA SEQUENCE EATYQLGLDM EELEEIEEDA GLGNGGLGRL AACFLDSMAT LGLAAYGYGI DATA SEQUENCE RYEFGIFNQK ICGGWQMEEA DDWLRYGNPW EKARPEFTLP VHFYGRVEHT DATA SEQUENCE SQGAKWVDTQ VVLAMPYDTP VPGYRNNVVN TMRLWSAKAP NDFNLKDFNV DATA SEQUENCE GGYIQAVLDR NLAENISRVL YPXXXXXEGK ELRLKQEYFV VAATLQDIIR DATA SEQUENCE RFKSSKFGCR DPVRTNFDAF PDKVAIQLND THPSLAIPEL MRVLVDLERL DATA SEQUENCE DWDKAWEVTV KTCAYTNHTV IPEALERWPV HLLETLLPRH LQIIYEINQR DATA SEQUENCE FLNRVAAAFP GDVDRLRRMS LVEEGAVKRI NMAHLCIAGS HAVNGVARIH DATA SEQUENCE SEILKKTIFK DFYELEPHKF QNKTNGITPR RWLVLCNPGL AEIIAERIGE DATA SEQUENCE EYISDLDQLR KLLSYVDDEA FIRDVAKVKQ ENKLKFAAYL EREYKVHINP DATA SEQUENCE NSLFDVQVKR IHEYKRQLLN CLHVITLYNR IKKEPNKFVV PRTVMIGGKA DATA SEQUENCE APGYHMAKMI IKLITAIGDV VNHDPVVGDR LRVIFLENYR VSLAEKVIPA DATA SEQUENCE ADLSEQISTA GTEASGTGNM KFMLNGALTI GTMDGANVEM AEEAGEENFF DATA SEQUENCE IFGMRVEDVD RLDQRGYNAQ EYYDRIPELR QIIEQLSSGF FSPKQPDLFK DATA SEQUENCE DIVNMLMHHD RFKVFADYEE YVKCQERVSA LYKNPREWTR MVIRNIATSG DATA SEQUENCE KFSSDRTIAQ YAREIWGVEP SRQRLPAP 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 10 R HA 0.000 nan 4.340 nan 0.000 0.208 10 R C 0.000 176.289 176.300 -0.019 0.000 0.893 10 R CA 0.000 56.090 56.100 -0.017 0.000 0.921 10 R CB 0.000 30.291 30.300 -0.016 0.000 0.687 11 K N 1.273 121.661 120.400 -0.019 0.000 2.439 11 K HA 0.020 4.342 4.320 0.003 0.000 0.197 11 K C 0.699 177.289 176.600 -0.018 0.000 1.041 11 K CA 0.835 57.110 56.287 -0.020 0.000 0.970 11 K CB 0.223 32.711 32.500 -0.020 0.000 0.773 11 K HN 0.332 nan 8.250 nan 0.000 0.479 12 Q N 0.539 120.329 119.800 -0.016 0.000 2.329 12 Q HA 0.083 4.426 4.340 0.003 0.000 0.208 12 Q C -0.317 175.673 176.000 -0.015 0.000 0.934 12 Q CA 0.035 55.830 55.803 -0.014 0.000 0.951 12 Q CB 0.174 28.905 28.738 -0.013 0.000 1.017 12 Q HN 0.207 nan 8.270 nan 0.000 0.490 13 I N 0.610 121.169 120.570 -0.017 0.000 2.479 13 I HA 0.217 4.389 4.170 0.003 0.000 0.279 13 I C -0.418 175.688 176.117 -0.018 0.000 1.102 13 I CA -0.303 60.986 61.300 -0.017 0.000 1.196 13 I CB 1.053 39.042 38.000 -0.018 0.000 1.427 13 I HN -0.085 nan 8.210 nan 0.000 0.503 14 S N 2.254 117.945 115.700 -0.016 0.000 2.625 14 S HA 0.352 4.824 4.470 0.003 0.000 0.271 14 S C 0.773 175.364 174.600 -0.014 0.000 1.161 14 S CA -0.593 57.597 58.200 -0.016 0.000 0.820 14 S CB 1.855 65.046 63.200 -0.016 0.000 1.137 14 S HN 0.179 nan 8.310 nan 0.000 0.470 15 V N 3.671 123.577 119.914 -0.013 0.000 3.330 15 V HA -0.119 4.003 4.120 0.003 0.000 0.273 15 V C 2.202 178.290 176.094 -0.011 0.000 1.179 15 V CA 1.806 64.099 62.300 -0.011 0.000 1.174 15 V CB -2.245 29.573 31.823 -0.009 0.000 0.794 15 V HN 0.779 nan 8.190 nan 0.000 0.527 16 R N 2.467 122.961 120.500 -0.009 0.000 2.221 16 R HA -0.091 4.251 4.340 0.003 0.000 0.215 16 R C 2.014 178.309 176.300 -0.007 0.000 1.092 16 R CA 2.009 58.105 56.100 -0.007 0.000 0.858 16 R CB -1.389 28.907 30.300 -0.007 0.000 0.791 16 R HN 0.332 nan 8.270 nan 0.000 0.442 17 G N 0.744 109.540 108.800 -0.007 0.000 3.295 17 G HA2 0.238 4.200 3.960 0.003 0.000 0.231 17 G HA3 0.238 4.200 3.960 0.003 0.000 0.231 17 G C -0.517 174.378 174.900 -0.008 0.000 1.277 17 G CA -0.343 44.754 45.100 -0.005 0.000 1.013 17 G HN 0.066 nan 8.290 nan 0.000 0.509 18 L N 1.894 123.108 121.223 -0.014 0.000 2.297 18 L HA 0.546 4.888 4.340 0.003 0.000 0.277 18 L C 1.028 177.872 176.870 -0.042 0.000 1.040 18 L CA -0.695 54.131 54.840 -0.023 0.000 0.867 18 L CB 0.698 42.744 42.059 -0.022 0.000 1.244 18 L HN 0.148 nan 8.230 nan 0.000 0.433 19 A N 2.148 124.928 122.820 -0.067 0.000 2.677 19 A HA 0.356 4.678 4.320 0.003 0.000 0.238 19 A C 1.358 178.929 177.584 -0.021 0.000 1.157 19 A CA 1.188 53.206 52.037 -0.031 0.000 0.879 19 A CB -0.262 18.721 19.000 -0.029 0.000 1.054 19 A HN 1.065 nan 8.150 nan 0.000 0.521 20 G N -1.993 106.801 108.800 -0.009 0.000 3.876 20 G HA2 0.212 4.174 3.960 0.003 0.000 0.203 20 G HA3 0.212 4.174 3.960 0.003 0.000 0.203 20 G C 0.440 175.343 174.900 0.004 0.000 1.162 20 G CA 0.262 45.360 45.100 -0.004 0.000 0.903 20 G HN 2.313 nan 8.290 nan 0.000 0.390 21 V N 0.144 120.064 119.914 0.010 0.000 3.167 21 V HA 0.159 4.281 4.120 0.003 0.000 0.249 21 V C 1.122 177.226 176.094 0.017 0.000 1.844 21 V CA 2.560 64.870 62.300 0.016 0.000 1.697 21 V CB -0.234 31.598 31.823 0.015 0.000 0.855 21 V HN 2.131 nan 8.190 nan 0.000 0.453 22 E N 2.143 122.356 120.200 0.022 0.000 4.372 22 E HA -0.263 4.089 4.350 0.003 0.000 0.152 22 E C 0.851 177.474 176.600 0.038 0.000 0.960 22 E CA 2.089 58.505 56.400 0.027 0.000 2.654 22 E CB -2.001 27.713 29.700 0.023 0.000 1.572 22 E HN 0.920 nan 8.360 nan 0.000 0.605 23 N N 0.245 118.967 118.700 0.038 0.000 2.205 23 N HA -0.115 4.627 4.740 0.003 0.000 0.186 23 N C 1.759 177.299 175.510 0.051 0.000 1.015 23 N CA 1.758 54.840 53.050 0.053 0.000 0.862 23 N CB -0.101 38.409 38.487 0.038 0.000 0.986 23 N HN 0.157 nan 8.380 nan 0.000 0.429 24 V N 0.398 120.332 119.914 0.033 0.000 2.287 24 V HA -0.268 3.854 4.120 0.003 0.000 0.248 24 V C 1.977 178.091 176.094 0.034 0.000 1.053 24 V CA 1.964 64.281 62.300 0.028 0.000 1.027 24 V CB -0.622 31.215 31.823 0.023 0.000 0.646 24 V HN 0.455 nan 8.190 nan 0.000 0.447 25 T N -1.524 113.051 114.554 0.036 0.000 3.014 25 T HA -0.049 4.303 4.350 0.003 0.000 0.263 25 T C 1.798 176.530 174.700 0.054 0.000 1.078 25 T CA 0.570 62.691 62.100 0.036 0.000 1.135 25 T CB -0.093 68.791 68.868 0.027 0.000 0.895 25 T HN 0.344 nan 8.240 nan 0.000 0.480 26 E N 1.179 121.419 120.200 0.067 0.000 2.274 26 E HA 0.097 4.449 4.350 0.003 0.000 0.194 26 E C 2.009 178.684 176.600 0.126 0.000 0.996 26 E CA 0.427 56.880 56.400 0.087 0.000 0.840 26 E CB -0.092 29.660 29.700 0.087 0.000 0.772 26 E HN 0.465 nan 8.360 nan 0.000 0.491 27 L N 0.148 121.450 121.223 0.130 0.000 2.341 27 L HA -0.029 4.313 4.340 0.003 0.000 0.214 27 L C 2.156 179.122 176.870 0.160 0.000 1.115 27 L CA 0.641 55.583 54.840 0.170 0.000 0.820 27 L CB -0.182 41.952 42.059 0.125 0.000 0.944 27 L HN 0.006 nan 8.230 nan 0.000 0.452 28 K N 0.267 120.721 120.400 0.091 0.000 2.217 28 K HA -0.145 4.178 4.320 0.003 0.000 0.202 28 K C 2.101 178.783 176.600 0.136 0.000 1.051 28 K CA 0.652 56.980 56.287 0.068 0.000 0.952 28 K CB 0.086 32.587 32.500 0.002 0.000 0.736 28 K HN 0.142 nan 8.250 nan 0.000 0.453 29 K N 1.277 121.746 120.400 0.115 0.000 2.167 29 K HA -0.079 4.244 4.320 0.003 0.000 0.203 29 K C 1.447 178.122 176.600 0.126 0.000 1.052 29 K CA 1.025 57.371 56.287 0.099 0.000 0.956 29 K CB 0.080 32.621 32.500 0.067 0.000 0.735 29 K HN -0.044 nan 8.250 nan 0.000 0.451 30 N N 0.195 119.000 118.700 0.175 0.000 2.309 30 N HA -0.110 4.632 4.740 0.003 0.000 0.182 30 N C 1.344 177.039 175.510 0.309 0.000 1.018 30 N CA 0.772 53.950 53.050 0.212 0.000 0.876 30 N CB -0.151 38.516 38.487 0.300 0.000 0.972 30 N HN 0.164 nan 8.380 nan 0.000 0.434 31 F N 0.919 120.973 119.950 0.174 0.000 2.094 31 F HA 0.026 4.555 4.527 0.003 0.000 0.291 31 F C 1.863 177.760 175.800 0.161 0.000 1.109 31 F CA 1.207 59.326 58.000 0.197 0.000 1.221 31 F CB -0.488 38.589 39.000 0.128 0.000 1.014 31 F HN -0.016 nan 8.300 nan 0.000 0.473 32 N N 0.171 119.082 118.700 0.353 0.000 2.061 32 N HA -0.263 4.479 4.740 0.003 0.000 0.193 32 N C 1.954 177.479 175.510 0.026 0.000 1.030 32 N CA 1.776 54.961 53.050 0.224 0.000 0.856 32 N CB -0.342 38.225 38.487 0.133 0.000 1.023 32 N HN 0.215 nan 8.380 nan 0.000 0.424 33 R N 0.189 120.632 120.500 -0.095 0.000 2.096 33 R HA -0.186 4.157 4.340 0.003 0.000 0.240 33 R C 1.498 177.647 176.300 -0.252 0.000 1.139 33 R CA 1.839 57.779 56.100 -0.265 0.000 0.952 33 R CB -0.228 29.994 30.300 -0.129 0.000 0.854 33 R HN 0.503 nan 8.270 nan 0.000 0.436 34 H N -0.688 118.336 119.070 -0.076 0.000 2.470 34 H HA -0.035 4.523 4.556 0.004 0.000 0.289 34 H C 1.740 176.958 175.328 -0.184 0.000 1.033 34 H CA 1.066 57.034 56.048 -0.134 0.000 1.331 34 H CB 0.127 29.793 29.762 -0.160 0.000 1.414 34 H HN 0.139 nan 8.280 nan 0.000 0.545 35 L N -0.278 120.876 121.223 -0.114 0.000 2.093 35 L HA -0.142 4.200 4.340 0.003 0.000 0.208 35 L C 1.473 178.175 176.870 -0.280 0.000 1.085 35 L CA 1.767 56.477 54.840 -0.216 0.000 0.755 35 L CB -0.023 41.885 42.059 -0.252 0.000 0.904 35 L HN 0.297 nan 8.230 nan 0.000 0.435 36 H N -3.330 115.592 119.070 -0.246 0.000 2.516 36 H HA 0.119 4.677 4.556 0.003 0.000 0.284 36 H C 1.031 176.228 175.328 -0.217 0.000 0.999 36 H CA 1.020 56.894 56.048 -0.289 0.000 1.303 36 H CB 0.267 29.754 29.762 -0.459 0.000 1.452 36 H HN 0.158 nan 8.280 nan 0.000 0.530 37 F N -0.350 119.619 119.950 0.032 0.000 2.414 37 F HA 0.074 4.603 4.527 0.003 0.000 0.255 37 F C 2.409 178.167 175.800 -0.071 0.000 1.032 37 F CA 0.628 58.610 58.000 -0.031 0.000 1.049 37 F CB -0.942 38.019 39.000 -0.066 0.000 1.140 37 F HN -0.153 nan 8.300 nan 0.000 0.643 38 T N 1.262 115.876 114.554 0.101 0.000 2.760 38 T HA -0.199 4.153 4.350 0.003 0.000 0.269 38 T C 1.827 176.468 174.700 -0.098 0.000 1.047 38 T CA 1.639 63.705 62.100 -0.056 0.000 1.139 38 T CB -0.436 68.317 68.868 -0.191 0.000 0.855 38 T HN -0.033 nan 8.240 nan 0.000 0.471 39 L N -0.061 121.117 121.223 -0.075 0.000 2.556 39 L HA 0.309 4.651 4.340 0.003 0.000 0.226 39 L C 0.416 177.249 176.870 -0.063 0.000 1.089 39 L CA 0.347 55.140 54.840 -0.078 0.000 0.864 39 L CB 0.201 42.214 42.059 -0.078 0.000 1.067 39 L HN -0.001 nan 8.230 nan 0.000 0.477 40 V N 0.846 120.738 119.914 -0.037 0.000 5.953 40 V HA -0.281 3.841 4.120 0.003 0.000 0.213 40 V C 0.212 176.269 176.094 -0.061 0.000 0.673 40 V CA 0.797 63.089 62.300 -0.015 0.000 0.618 40 V CB -1.962 29.866 31.823 0.008 0.000 0.533 40 V HN 0.340 nan 8.190 nan 0.000 0.447 41 K N 1.153 121.474 120.400 -0.131 0.000 2.466 41 K HA 0.751 5.073 4.320 0.003 0.000 0.277 41 K C -0.419 176.004 176.600 -0.294 0.000 1.039 41 K CA -0.170 56.012 56.287 -0.174 0.000 0.904 41 K CB 2.566 34.941 32.500 -0.208 0.000 1.506 41 K HN 0.620 nan 8.250 nan 0.000 0.441 42 D N -1.793 118.449 120.400 -0.262 0.000 2.714 42 D HA 0.284 4.926 4.640 0.003 0.000 0.278 42 D C 0.801 176.971 176.300 -0.216 0.000 1.102 42 D CA -0.735 53.077 54.000 -0.315 0.000 1.108 42 D CB 1.111 41.897 40.800 -0.023 0.000 1.444 42 D HN 0.286 nan 8.370 nan 0.000 0.568 43 R N 0.405 120.871 120.500 -0.057 0.000 2.148 43 R HA -0.072 4.270 4.340 0.003 0.000 0.223 43 R C 0.310 176.637 176.300 0.046 0.000 1.088 43 R CA 1.175 57.312 56.100 0.062 0.000 0.985 43 R CB -0.994 29.430 30.300 0.206 0.000 0.880 43 R HN 0.481 nan 8.270 nan 0.000 0.451 44 N N 0.540 119.256 118.700 0.028 0.000 2.166 44 N HA -0.091 4.651 4.740 0.003 0.000 0.186 44 N C 1.523 177.030 175.510 -0.006 0.000 1.019 44 N CA 1.398 54.462 53.050 0.024 0.000 0.856 44 N CB -0.117 38.383 38.487 0.021 0.000 0.993 44 N HN 0.078 nan 8.380 nan 0.000 0.426 45 V N -0.348 119.539 119.914 -0.046 0.000 3.605 45 V HA 0.369 4.491 4.120 0.003 0.000 0.284 45 V C 0.589 176.607 176.094 -0.127 0.000 1.386 45 V CA -0.087 62.174 62.300 -0.065 0.000 1.053 45 V CB -0.258 31.534 31.823 -0.053 0.000 0.857 45 V HN 0.268 nan 8.190 nan 0.000 0.436 46 A N 0.197 122.881 122.820 -0.227 0.000 2.388 46 A HA 0.539 4.861 4.320 0.003 0.000 0.257 46 A C 0.423 177.780 177.584 -0.377 0.000 1.095 46 A CA 0.337 52.124 52.037 -0.417 0.000 0.791 46 A CB 0.292 18.780 19.000 -0.853 0.000 1.029 46 A HN 0.241 nan 8.150 nan 0.000 0.489 47 T N 3.055 117.435 114.554 -0.291 0.000 2.902 47 T HA 0.423 4.775 4.350 0.003 0.000 0.280 47 T C -1.371 173.280 174.700 -0.082 0.000 0.992 47 T CA -1.235 60.786 62.100 -0.132 0.000 1.015 47 T CB 1.021 69.844 68.868 -0.076 0.000 1.044 47 T HN 0.522 nan 8.240 nan 0.000 0.520 48 P HA -0.237 nan 4.420 nan 0.000 0.219 48 P C 1.361 178.714 177.300 0.088 0.000 1.161 48 P CA 1.482 64.674 63.100 0.154 0.000 0.909 48 P CB 0.100 31.849 31.700 0.082 0.000 0.793 49 R N -0.306 120.192 120.500 -0.004 0.000 2.152 49 R HA -0.118 4.224 4.340 0.003 0.000 0.232 49 R C 1.781 178.131 176.300 0.084 0.000 1.117 49 R CA 1.645 57.720 56.100 -0.043 0.000 0.981 49 R CB -0.552 29.676 30.300 -0.120 0.000 0.870 49 R HN 0.086 nan 8.270 nan 0.000 0.451 50 D N -0.492 119.941 120.400 0.055 0.000 2.162 50 D HA -0.099 4.543 4.640 0.003 0.000 0.205 50 D C 1.314 177.628 176.300 0.024 0.000 0.964 50 D CA 1.100 55.130 54.000 0.050 0.000 0.847 50 D CB -0.168 40.542 40.800 -0.151 0.000 0.988 50 D HN 0.305 nan 8.370 nan 0.000 0.480 51 Y N -0.055 120.281 120.300 0.061 0.000 2.571 51 Y HA -0.127 4.425 4.550 0.003 0.000 0.294 51 Y C 2.064 178.021 175.900 0.096 0.000 1.141 51 Y CA 0.263 58.414 58.100 0.085 0.000 1.308 51 Y CB -0.622 37.963 38.460 0.209 0.000 1.002 51 Y HN 0.116 nan 8.280 nan 0.000 0.551 52 Y N -1.128 119.196 120.300 0.040 0.000 2.243 52 Y HA -0.119 4.433 4.550 0.003 0.000 0.293 52 Y C 1.527 177.300 175.900 -0.211 0.000 1.124 52 Y CA 0.960 58.994 58.100 -0.109 0.000 1.159 52 Y CB -0.873 37.419 38.460 -0.281 0.000 1.008 52 Y HN -0.017 nan 8.280 nan 0.000 0.527 53 F N 0.743 120.427 119.950 -0.443 0.000 2.293 53 F HA 0.002 4.531 4.527 0.004 0.000 0.300 53 F C 2.576 178.164 175.800 -0.352 0.000 1.086 53 F CA 0.999 58.636 58.000 -0.605 0.000 1.375 53 F CB -1.042 37.788 39.000 -0.283 0.000 1.045 53 F HN 0.232 nan 8.300 nan 0.000 0.516 54 A N -0.099 122.645 122.820 -0.126 0.000 1.898 54 A HA -0.128 4.194 4.320 0.003 0.000 0.216 54 A C 2.121 179.483 177.584 -0.371 0.000 1.181 54 A CA 1.427 53.281 52.037 -0.304 0.000 0.620 54 A CB -1.011 17.598 19.000 -0.652 0.000 0.819 54 A HN 0.331 nan 8.150 nan 0.000 0.442 55 L N -0.332 120.780 121.223 -0.185 0.000 2.093 55 L HA 0.027 4.369 4.340 0.003 0.000 0.208 55 L C 2.591 179.407 176.870 -0.091 0.000 1.085 55 L CA 2.032 56.941 54.840 0.114 0.000 0.755 55 L CB -0.666 41.586 42.059 0.322 0.000 0.904 55 L HN 0.319 nan 8.230 nan 0.000 0.435 56 A N -1.259 121.332 122.820 -0.381 0.000 1.902 56 A HA -0.257 4.065 4.320 0.003 0.000 0.217 56 A C 2.111 179.302 177.584 -0.654 0.000 1.181 56 A CA 1.873 53.538 52.037 -0.620 0.000 0.623 56 A CB -1.064 17.247 19.000 -1.147 0.000 0.818 56 A HN 0.676 nan 8.150 nan 0.000 0.443 57 H N -0.718 118.034 119.070 -0.530 0.000 2.421 57 H HA -0.065 4.493 4.556 0.004 0.000 0.298 57 H C 2.288 177.275 175.328 -0.567 0.000 1.087 57 H CA 1.869 57.542 56.048 -0.625 0.000 1.330 57 H CB 0.013 29.207 29.762 -0.947 0.000 1.388 57 H HN 0.491 nan 8.280 nan 0.000 0.526 58 T N -0.302 114.146 114.554 -0.177 0.000 2.777 58 T HA -0.119 4.233 4.350 0.003 0.000 0.266 58 T C 2.217 177.036 174.700 0.199 0.000 1.040 58 T CA 1.246 63.429 62.100 0.138 0.000 1.141 58 T CB -0.383 68.641 68.868 0.262 0.000 0.868 58 T HN 0.112 nan 8.240 nan 0.000 0.444 59 V N 1.258 121.237 119.914 0.108 0.000 2.720 59 V HA -0.102 4.020 4.120 0.003 0.000 0.256 59 V C 2.522 178.770 176.094 0.257 0.000 1.082 59 V CA 1.422 63.809 62.300 0.145 0.000 1.101 59 V CB -0.651 31.316 31.823 0.240 0.000 0.693 59 V HN 0.338 nan 8.190 nan 0.000 0.479 60 R N -0.221 120.400 120.500 0.202 0.000 2.140 60 R HA -0.070 4.272 4.340 0.003 0.000 0.213 60 R C 1.925 178.378 176.300 0.255 0.000 1.059 60 R CA 0.913 57.156 56.100 0.239 0.000 1.000 60 R CB -0.137 30.225 30.300 0.103 0.000 0.910 60 R HN 0.449 nan 8.270 nan 0.000 0.455 61 D N -0.279 120.276 120.400 0.259 0.000 2.280 61 D HA -0.171 4.471 4.640 0.003 0.000 0.206 61 D C 1.189 177.522 176.300 0.055 0.000 0.988 61 D CA 1.449 55.550 54.000 0.168 0.000 0.886 61 D CB -0.022 40.869 40.800 0.150 0.000 0.914 61 D HN 0.458 nan 8.370 nan 0.000 0.473 62 H N -1.015 118.129 119.070 0.123 0.000 2.506 62 H HA 0.272 4.830 4.556 0.004 0.000 0.289 62 H C 1.991 177.378 175.328 0.099 0.000 1.009 62 H CA -0.098 56.008 56.048 0.096 0.000 1.303 62 H CB -0.256 29.554 29.762 0.080 0.000 1.453 62 H HN 0.000 nan 8.280 nan 0.000 0.526 63 L N 1.318 122.697 121.223 0.261 0.000 2.191 63 L HA -0.117 4.225 4.340 0.003 0.000 0.212 63 L C 1.614 178.616 176.870 0.220 0.000 1.103 63 L CA 1.238 56.190 54.840 0.186 0.000 0.769 63 L CB -0.008 42.165 42.059 0.190 0.000 0.908 63 L HN 0.312 nan 8.230 nan 0.000 0.438 64 V N -4.996 115.072 119.914 0.256 0.000 3.174 64 V HA 0.168 4.290 4.120 0.003 0.000 0.254 64 V C 2.343 178.553 176.094 0.193 0.000 1.120 64 V CA 0.863 63.352 62.300 0.315 0.000 1.114 64 V CB -0.905 31.092 31.823 0.290 0.000 0.756 64 V HN 0.323 nan 8.190 nan 0.000 0.467 65 G N 1.484 110.357 108.800 0.122 0.000 2.446 65 G HA2 -0.229 3.733 3.960 0.003 0.000 0.217 65 G HA3 -0.229 3.733 3.960 0.003 0.000 0.217 65 G C 1.787 176.728 174.900 0.068 0.000 1.168 65 G CA 1.098 46.237 45.100 0.064 0.000 0.771 65 G HN 0.544 nan 8.290 nan 0.000 0.551 66 R N -1.469 119.086 120.500 0.093 0.000 2.119 66 R HA -0.011 4.332 4.340 0.003 0.000 0.222 66 R C 2.269 178.640 176.300 0.119 0.000 1.088 66 R CA 0.923 57.063 56.100 0.068 0.000 0.984 66 R CB -0.363 29.964 30.300 0.045 0.000 0.884 66 R HN 0.485 nan 8.270 nan 0.000 0.447 67 W N 2.117 123.394 121.300 -0.039 0.000 2.402 67 W HA 0.009 4.671 4.660 0.004 0.000 0.286 67 W C 1.518 178.013 176.519 -0.040 0.000 1.221 67 W CA 0.487 57.800 57.345 -0.053 0.000 1.257 67 W CB -0.360 29.087 29.460 -0.022 0.000 1.120 67 W HN -0.077 nan 8.180 nan 0.000 0.551 68 I N 0.746 121.311 120.570 -0.008 0.000 2.058 68 I HA -0.379 3.793 4.170 0.003 0.000 0.235 68 I C 2.705 178.790 176.117 -0.054 0.000 1.053 68 I CA 1.850 63.081 61.300 -0.114 0.000 1.313 68 I CB -0.579 37.384 38.000 -0.061 0.000 1.039 68 I HN -0.143 nan 8.210 nan 0.000 0.396 69 R N 0.007 120.499 120.500 -0.015 0.000 2.120 69 R HA -0.129 4.213 4.340 0.003 0.000 0.234 69 R C 2.190 178.468 176.300 -0.035 0.000 1.123 69 R CA 1.856 57.953 56.100 -0.006 0.000 0.975 69 R CB -0.789 29.510 30.300 -0.003 0.000 0.866 69 R HN 0.440 nan 8.270 nan 0.000 0.446 70 T N 1.228 115.715 114.554 -0.111 0.000 2.746 70 T HA -0.120 4.232 4.350 0.003 0.000 0.267 70 T C 1.840 176.275 174.700 -0.443 0.000 1.039 70 T CA 1.074 62.986 62.100 -0.313 0.000 1.142 70 T CB -0.014 68.654 68.868 -0.333 0.000 0.866 70 T HN 0.216 nan 8.240 nan 0.000 0.444 71 Q N 0.732 120.407 119.800 -0.209 0.000 2.089 71 Q HA 0.015 4.357 4.340 0.003 0.000 0.195 71 Q C 2.438 178.515 176.000 0.128 0.000 0.963 71 Q CA 1.058 56.830 55.803 -0.050 0.000 0.834 71 Q CB -0.640 28.121 28.738 0.038 0.000 0.906 71 Q HN 0.430 nan 8.270 nan 0.000 0.452 72 Q N 0.736 120.595 119.800 0.099 0.000 2.152 72 Q HA -0.227 4.115 4.340 0.003 0.000 0.206 72 Q C 1.857 177.976 176.000 0.197 0.000 0.985 72 Q CA 2.184 58.071 55.803 0.140 0.000 0.863 72 Q CB -0.474 28.294 28.738 0.049 0.000 0.904 72 Q HN 0.622 nan 8.270 nan 0.000 0.422 73 H N -1.578 117.532 119.070 0.065 0.000 2.421 73 H HA -0.158 4.400 4.556 0.003 0.000 0.298 73 H C 0.897 176.373 175.328 0.246 0.000 1.087 73 H CA 1.728 57.837 56.048 0.101 0.000 1.330 73 H CB -0.032 29.750 29.762 0.033 0.000 1.388 73 H HN 0.324 nan 8.280 nan 0.000 0.526 74 Y N -0.911 119.571 120.300 0.305 0.000 2.516 74 Y HA -0.119 4.433 4.550 0.003 0.000 0.291 74 Y C 2.006 178.041 175.900 0.224 0.000 1.131 74 Y CA 0.406 58.654 58.100 0.246 0.000 1.281 74 Y CB -0.914 37.703 38.460 0.262 0.000 1.013 74 Y HN 0.385 nan 8.280 nan 0.000 0.554 75 Y N 2.462 122.900 120.300 0.229 0.000 2.084 75 Y HA -0.175 4.377 4.550 0.003 0.000 0.279 75 Y C 1.753 177.710 175.900 0.096 0.000 1.119 75 Y CA 1.838 60.029 58.100 0.151 0.000 1.101 75 Y CB -0.613 37.915 38.460 0.113 0.000 0.989 75 Y HN 0.170 nan 8.280 nan 0.000 0.484 76 E N 0.785 121.230 120.200 0.408 0.000 2.352 76 E HA -0.020 4.332 4.350 0.003 0.000 0.197 76 E C 0.528 177.183 176.600 0.092 0.000 1.224 76 E CA 0.703 57.226 56.400 0.206 0.000 1.118 76 E CB -0.110 29.616 29.700 0.043 0.000 1.198 76 E HN 0.384 nan 8.360 nan 0.000 0.454 77 K N 0.641 121.108 120.400 0.112 0.000 2.596 77 K HA 0.021 4.343 4.320 0.003 0.000 0.202 77 K C -0.611 176.040 176.600 0.086 0.000 1.638 77 K CA 0.025 56.343 56.287 0.052 0.000 1.022 77 K CB 0.019 32.496 32.500 -0.039 0.000 1.382 77 K HN -0.031 nan 8.250 nan 0.000 0.622 78 D N 2.918 123.393 120.400 0.124 0.000 2.903 78 D HA -0.163 4.479 4.640 0.003 0.000 0.210 78 D C -2.263 174.068 176.300 0.051 0.000 1.263 78 D CA 0.814 54.875 54.000 0.101 0.000 0.661 78 D CB 0.117 40.992 40.800 0.126 0.000 0.936 78 D HN 0.302 nan 8.370 nan 0.000 0.392 79 P HA 0.031 nan 4.420 nan 0.000 0.274 79 P C -0.091 177.148 177.300 -0.101 0.000 1.256 79 P CA -0.539 62.512 63.100 -0.081 0.000 0.795 79 P CB 0.735 32.316 31.700 -0.199 0.000 1.038 80 K N 1.763 122.110 120.400 -0.089 0.000 2.412 80 K HA 0.080 4.403 4.320 0.003 0.000 0.281 80 K C -0.124 176.368 176.600 -0.181 0.000 1.027 80 K CA -0.050 56.178 56.287 -0.097 0.000 0.989 80 K CB 0.235 32.700 32.500 -0.058 0.000 0.935 80 K HN 0.352 nan 8.250 nan 0.000 0.475 81 R N 3.671 124.030 120.500 -0.235 0.000 2.346 81 R HA 0.363 4.705 4.340 0.003 0.000 0.311 81 R C -0.339 175.613 176.300 -0.580 0.000 0.983 81 R CA -0.629 55.245 56.100 -0.375 0.000 0.880 81 R CB 1.140 31.219 30.300 -0.369 0.000 1.100 81 R HN 0.515 nan 8.270 nan 0.000 0.453 82 I N 3.819 124.072 120.570 -0.528 0.000 2.404 82 I HA 0.330 4.503 4.170 0.003 0.000 0.293 82 I C -1.479 174.384 176.117 -0.422 0.000 0.992 82 I CA -0.898 60.077 61.300 -0.542 0.000 1.149 82 I CB 1.270 38.917 38.000 -0.588 0.000 1.315 82 I HN 0.617 nan 8.210 nan 0.000 0.446 83 Y N 7.621 127.886 120.300 -0.058 0.000 2.376 83 Y HA 0.259 4.811 4.550 0.003 0.000 0.326 83 Y C -0.628 175.342 175.900 0.116 0.000 0.970 83 Y CA -0.864 57.316 58.100 0.133 0.000 1.248 83 Y CB 1.034 39.629 38.460 0.225 0.000 1.117 83 Y HN 0.418 nan 8.280 nan 0.000 0.476 84 Y N 4.633 125.056 120.300 0.205 0.000 2.556 84 Y HA 0.439 4.991 4.550 0.003 0.000 0.352 84 Y C -0.644 175.471 175.900 0.358 0.000 1.006 84 Y CA -0.579 57.634 58.100 0.188 0.000 1.277 84 Y CB 0.205 38.766 38.460 0.167 0.000 1.136 84 Y HN 0.548 nan 8.280 nan 0.000 0.523 85 L N 5.219 126.457 121.223 0.026 0.000 2.276 85 L HA 0.444 4.786 4.340 0.003 0.000 0.286 85 L C -0.073 176.804 176.870 0.012 0.000 1.061 85 L CA -0.311 54.613 54.840 0.139 0.000 0.807 85 L CB 1.119 43.233 42.059 0.091 0.000 1.177 85 L HN 0.572 nan 8.230 nan 0.000 0.429 86 S N 3.042 118.888 115.700 0.244 0.000 2.592 86 S HA 0.268 4.740 4.470 0.003 0.000 0.275 86 S C -0.221 174.571 174.600 0.320 0.000 1.169 86 S CA -0.675 57.594 58.200 0.115 0.000 0.958 86 S CB 1.313 64.407 63.200 -0.178 0.000 1.095 86 S HN 0.577 nan 8.310 nan 0.000 0.471 87 L N 3.823 125.199 121.223 0.255 0.000 2.798 87 L HA 0.446 4.788 4.340 0.003 0.000 0.254 87 L C 0.287 177.377 176.870 0.367 0.000 1.176 87 L CA 0.912 55.967 54.840 0.359 0.000 0.991 87 L CB -0.441 41.861 42.059 0.404 0.000 1.225 87 L HN 0.769 nan 8.230 nan 0.000 0.420 88 E N -0.459 119.928 120.200 0.313 0.000 2.667 88 E HA 0.067 4.419 4.350 0.003 0.000 0.386 88 E C -1.488 175.158 176.600 0.078 0.000 1.000 88 E CA -0.212 56.287 56.400 0.166 0.000 0.722 88 E CB 0.239 29.950 29.700 0.018 0.000 1.529 88 E HN -0.026 nan 8.360 nan 0.000 0.390 89 F N 2.902 122.929 119.950 0.129 0.000 2.361 89 F HA 0.271 4.800 4.527 0.004 0.000 0.364 89 F C -0.120 175.748 175.800 0.113 0.000 1.117 89 F CA -0.503 57.568 58.000 0.119 0.000 1.071 89 F CB 0.757 39.828 39.000 0.118 0.000 1.188 89 F HN 0.422 nan 8.300 nan 0.000 0.464 90 Y N 6.257 126.560 120.300 0.005 0.000 2.817 90 Y HA 0.195 4.747 4.550 0.003 0.000 0.339 90 Y C 0.727 176.600 175.900 -0.045 0.000 1.281 90 Y CA -1.325 56.748 58.100 -0.045 0.000 1.564 90 Y CB -0.168 38.242 38.460 -0.084 0.000 1.628 90 Y HN 0.526 nan 8.280 nan 0.000 0.489 91 M N 1.359 121.033 119.600 0.124 0.000 2.333 91 M HA 0.138 4.620 4.480 0.003 0.000 0.264 91 M C 1.379 177.602 176.300 -0.128 0.000 1.107 91 M CA 1.461 56.746 55.300 -0.024 0.000 1.092 91 M CB -1.444 31.127 32.600 -0.049 0.000 1.212 91 M HN 0.552 nan 8.290 nan 0.000 0.462 92 G N 2.317 111.038 108.800 -0.131 0.000 3.038 92 G HA2 -0.217 3.746 3.960 0.003 0.000 0.241 92 G HA3 -0.217 3.746 3.960 0.003 0.000 0.241 92 G C -0.453 174.337 174.900 -0.184 0.000 0.968 92 G CA 0.229 45.231 45.100 -0.164 0.000 0.949 92 G HN 0.617 nan 8.290 nan 0.000 0.394 93 R N 0.114 120.534 120.500 -0.133 0.000 1.046 93 R HA -0.140 4.202 4.340 0.003 0.000 0.427 93 R C 0.746 176.912 176.300 -0.223 0.000 1.360 93 R CA 1.124 57.150 56.100 -0.123 0.000 1.198 93 R CB -1.450 28.770 30.300 -0.135 0.000 3.457 93 R HN 0.866 nan 8.270 nan 0.000 0.507 94 T N 1.869 116.283 114.554 -0.233 0.000 3.105 94 T HA 0.112 4.464 4.350 0.003 0.000 0.257 94 T C 1.633 176.091 174.700 -0.404 0.000 0.949 94 T CA 0.260 62.032 62.100 -0.547 0.000 0.959 94 T CB 0.115 68.225 68.868 -1.265 0.000 1.205 94 T HN 0.505 nan 8.240 nan 0.000 0.496 95 L N 1.453 122.707 121.223 0.052 0.000 2.010 95 L HA -0.286 4.056 4.340 0.003 0.000 0.219 95 L C 2.631 179.522 176.870 0.034 0.000 1.077 95 L CA 1.990 56.972 54.840 0.238 0.000 0.773 95 L CB -0.178 42.115 42.059 0.391 0.000 0.892 95 L HN 0.330 nan 8.230 nan 0.000 0.436 96 Q N -0.603 119.181 119.800 -0.028 0.000 2.033 96 Q HA -0.235 4.107 4.340 0.003 0.000 0.196 96 Q C 2.046 177.980 176.000 -0.111 0.000 0.970 96 Q CA 1.712 57.478 55.803 -0.061 0.000 0.828 96 Q CB -0.139 28.552 28.738 -0.079 0.000 0.895 96 Q HN 0.577 nan 8.270 nan 0.000 0.440 97 N N -1.016 117.580 118.700 -0.174 0.000 2.272 97 N HA -0.149 4.593 4.740 0.003 0.000 0.185 97 N C 1.195 176.600 175.510 -0.176 0.000 1.014 97 N CA 1.426 54.360 53.050 -0.194 0.000 0.870 97 N CB 0.185 38.519 38.487 -0.254 0.000 0.975 97 N HN 0.182 nan 8.380 nan 0.000 0.433 98 T N 0.656 115.084 114.554 -0.210 0.000 2.851 98 T HA 0.048 4.400 4.350 0.003 0.000 0.262 98 T C 1.907 176.554 174.700 -0.088 0.000 1.043 98 T CA 0.654 62.645 62.100 -0.183 0.000 1.140 98 T CB 0.006 68.693 68.868 -0.302 0.000 0.872 98 T HN 0.234 nan 8.240 nan 0.000 0.446 99 M N 1.395 120.963 119.600 -0.054 0.000 2.358 99 M HA -0.062 4.420 4.480 0.003 0.000 0.264 99 M C 2.403 178.683 176.300 -0.034 0.000 1.064 99 M CA 1.062 56.341 55.300 -0.036 0.000 1.093 99 M CB -0.414 32.177 32.600 -0.016 0.000 1.401 99 M HN 0.262 nan 8.290 nan 0.000 0.440 100 V N -2.941 116.956 119.914 -0.028 0.000 2.725 100 V HA -0.001 4.121 4.120 0.003 0.000 0.247 100 V C 1.423 177.565 176.094 0.080 0.000 1.058 100 V CA 1.493 63.806 62.300 0.021 0.000 1.080 100 V CB -0.718 31.109 31.823 0.007 0.000 0.713 100 V HN 0.311 nan 8.190 nan 0.000 0.465 101 N N 0.412 119.132 118.700 0.034 0.000 2.446 101 N HA 0.124 4.866 4.740 0.003 0.000 0.179 101 N C 1.099 176.543 175.510 -0.111 0.000 1.054 101 N CA 0.802 53.867 53.050 0.026 0.000 0.905 101 N CB -0.034 38.458 38.487 0.008 0.000 0.973 101 N HN 0.403 nan 8.380 nan 0.000 0.448 102 L N -0.174 120.994 121.223 -0.092 0.000 2.640 102 L HA 0.411 4.753 4.340 0.003 0.000 0.230 102 L C 0.647 177.458 176.870 -0.097 0.000 1.123 102 L CA -0.209 54.576 54.840 -0.092 0.000 0.900 102 L CB -0.618 41.411 42.059 -0.049 0.000 1.146 102 L HN 0.087 nan 8.230 nan 0.000 0.484 103 A N -0.606 122.151 122.820 -0.104 0.000 2.832 103 A HA -0.212 4.110 4.320 0.003 0.000 0.280 103 A C 1.246 178.798 177.584 -0.053 0.000 1.464 103 A CA 0.990 52.981 52.037 -0.077 0.000 0.804 103 A CB -1.851 17.097 19.000 -0.086 0.000 1.020 103 A HN 0.196 nan 8.150 nan 0.000 0.563 104 L N -0.965 120.225 121.223 -0.054 0.000 2.556 104 L HA 0.123 4.465 4.340 0.003 0.000 0.226 104 L C 1.996 178.844 176.870 -0.037 0.000 1.089 104 L CA 1.716 56.522 54.840 -0.058 0.000 0.864 104 L CB -0.909 41.086 42.059 -0.106 0.000 1.067 104 L HN 0.760 nan 8.230 nan 0.000 0.477 105 E N 0.921 121.105 120.200 -0.026 0.000 2.136 105 E HA -0.291 4.062 4.350 0.003 0.000 0.208 105 E C 1.630 178.222 176.600 -0.014 0.000 1.035 105 E CA 2.253 58.643 56.400 -0.016 0.000 0.838 105 E CB 0.202 29.894 29.700 -0.013 0.000 0.748 105 E HN 0.504 nan 8.360 nan 0.000 0.459 106 N N -0.096 118.594 118.700 -0.016 0.000 2.270 106 N HA -0.120 4.622 4.740 0.003 0.000 0.181 106 N C 1.696 177.199 175.510 -0.012 0.000 1.016 106 N CA 1.093 54.132 53.050 -0.017 0.000 0.870 106 N CB -0.247 38.229 38.487 -0.018 0.000 0.979 106 N HN 0.258 nan 8.380 nan 0.000 0.431 107 A N 0.994 123.808 122.820 -0.011 0.000 1.897 107 A HA -0.068 4.254 4.320 0.003 0.000 0.215 107 A C 2.638 180.220 177.584 -0.003 0.000 1.181 107 A CA 0.870 52.904 52.037 -0.005 0.000 0.620 107 A CB -0.868 18.127 19.000 -0.009 0.000 0.821 107 A HN 0.383 nan 8.150 nan 0.000 0.443 108 C N -0.674 118.621 119.300 -0.009 0.000 2.446 108 C HA -0.076 4.386 4.460 0.003 0.000 0.277 108 C C 2.408 177.398 174.990 0.001 0.000 1.275 108 C CA 1.093 60.111 59.018 -0.001 0.000 1.727 108 C CB -1.033 26.712 27.740 0.008 0.000 2.010 108 C HN 0.639 nan 8.230 nan 0.000 0.486 109 D N 0.007 120.409 120.400 0.004 0.000 2.263 109 D HA -0.136 4.506 4.640 0.003 0.000 0.208 109 D C 1.998 178.326 176.300 0.046 0.000 0.971 109 D CA 1.170 55.178 54.000 0.013 0.000 0.867 109 D CB -0.041 40.755 40.800 -0.007 0.000 0.929 109 D HN 0.630 nan 8.370 nan 0.000 0.492 110 E N -0.526 119.701 120.200 0.046 0.000 2.340 110 E HA 0.118 4.470 4.350 0.003 0.000 0.198 110 E C 1.763 178.420 176.600 0.094 0.000 0.961 110 E CA 0.479 56.953 56.400 0.123 0.000 0.905 110 E CB 0.210 29.947 29.700 0.062 0.000 0.884 110 E HN 0.133 nan 8.360 nan 0.000 0.491 111 A N 0.526 123.347 122.820 0.001 0.000 1.832 111 A HA -0.187 4.135 4.320 0.003 0.000 0.214 111 A C 2.483 179.954 177.584 -0.189 0.000 1.200 111 A CA 2.526 54.517 52.037 -0.077 0.000 0.610 111 A CB -1.578 17.378 19.000 -0.073 0.000 0.842 111 A HN 0.464 nan 8.150 nan 0.000 0.444 112 T N -2.519 111.901 114.554 -0.223 0.000 2.635 112 T HA -0.339 4.014 4.350 0.003 0.000 0.267 112 T C 1.863 176.424 174.700 -0.231 0.000 1.040 112 T CA 1.981 63.883 62.100 -0.330 0.000 1.156 112 T CB -0.905 67.852 68.868 -0.185 0.000 0.863 112 T HN 0.567 nan 8.240 nan 0.000 0.430 113 Y N 2.576 122.783 120.300 -0.155 0.000 2.151 113 Y HA -0.182 4.370 4.550 0.004 0.000 0.284 113 Y C 2.507 178.339 175.900 -0.113 0.000 1.166 113 Y CA 1.889 59.920 58.100 -0.115 0.000 1.163 113 Y CB -0.620 37.794 38.460 -0.078 0.000 0.974 113 Y HN 0.342 nan 8.280 nan 0.000 0.511 114 Q N -0.092 119.403 119.800 -0.509 0.000 2.378 114 Q HA 0.039 4.381 4.340 0.003 0.000 0.205 114 Q C 1.609 177.388 176.000 -0.368 0.000 0.954 114 Q CA 0.718 56.219 55.803 -0.503 0.000 0.901 114 Q CB 0.043 28.682 28.738 -0.164 0.000 0.981 114 Q HN 0.514 nan 8.270 nan 0.000 0.483 115 L N 0.143 121.158 121.223 -0.346 0.000 2.645 115 L HA 0.162 4.504 4.340 0.003 0.000 0.235 115 L C 0.705 177.395 176.870 -0.299 0.000 1.150 115 L CA 0.015 54.672 54.840 -0.306 0.000 0.911 115 L CB -0.315 41.497 42.059 -0.412 0.000 1.077 115 L HN 0.289 nan 8.230 nan 0.000 0.438 116 G N 1.222 109.820 108.800 -0.337 0.000 2.314 116 G HA2 -0.274 3.689 3.960 0.003 0.000 0.292 116 G HA3 -0.274 3.689 3.960 0.003 0.000 0.292 116 G C -0.330 174.417 174.900 -0.255 0.000 1.059 116 G CA -0.029 44.905 45.100 -0.277 0.000 0.982 116 G HN 0.302 nan 8.290 nan 0.000 0.505 117 L N -0.344 120.724 121.223 -0.259 0.000 2.516 117 L HA 0.333 4.675 4.340 0.003 0.000 0.267 117 L C -0.415 176.389 176.870 -0.110 0.000 0.957 117 L CA -1.055 53.655 54.840 -0.217 0.000 0.860 117 L CB 2.046 43.920 42.059 -0.307 0.000 1.265 117 L HN 0.182 nan 8.230 nan 0.000 0.403 118 D N 2.725 123.094 120.400 -0.051 0.000 2.363 118 D HA 0.062 4.704 4.640 0.003 0.000 0.263 118 D C 0.960 177.265 176.300 0.008 0.000 1.258 118 D CA 0.275 54.277 54.000 0.003 0.000 0.907 118 D CB 1.032 41.838 40.800 0.010 0.000 1.107 118 D HN 0.498 nan 8.370 nan 0.000 0.495 119 M N 3.255 122.868 119.600 0.020 0.000 2.077 119 M HA -0.145 4.337 4.480 0.003 0.000 0.261 119 M C 1.826 178.146 176.300 0.034 0.000 1.070 119 M CA 1.507 56.826 55.300 0.031 0.000 1.125 119 M CB -0.059 32.559 32.600 0.030 0.000 1.339 119 M HN 0.600 nan 8.290 nan 0.000 0.409 120 E N 0.065 120.277 120.200 0.020 0.000 2.147 120 E HA -0.272 4.080 4.350 0.003 0.000 0.199 120 E C 1.777 178.382 176.600 0.007 0.000 1.005 120 E CA 1.544 57.949 56.400 0.009 0.000 0.810 120 E CB -0.043 29.659 29.700 0.003 0.000 0.736 120 E HN 0.485 nan 8.360 nan 0.000 0.460 121 E N 0.445 120.652 120.200 0.012 0.000 2.038 121 E HA -0.208 4.144 4.350 0.003 0.000 0.195 121 E C 2.300 178.902 176.600 0.003 0.000 1.000 121 E CA 1.204 57.610 56.400 0.009 0.000 0.803 121 E CB -0.288 29.420 29.700 0.014 0.000 0.750 121 E HN 0.410 nan 8.360 nan 0.000 0.448 122 L N 0.918 122.158 121.223 0.028 0.000 2.042 122 L HA -0.205 4.137 4.340 0.003 0.000 0.210 122 L C 2.403 179.261 176.870 -0.019 0.000 1.076 122 L CA 1.240 56.106 54.840 0.043 0.000 0.749 122 L CB -0.496 41.646 42.059 0.139 0.000 0.893 122 L HN 0.115 nan 8.230 nan 0.000 0.432 123 E N 0.023 120.225 120.200 0.004 0.000 2.130 123 E HA -0.241 4.111 4.350 0.003 0.000 0.196 123 E C 1.896 178.437 176.600 -0.099 0.000 0.998 123 E CA 1.179 57.570 56.400 -0.015 0.000 0.806 123 E CB -0.113 29.583 29.700 -0.007 0.000 0.738 123 E HN 0.504 nan 8.360 nan 0.000 0.459 124 E N 0.283 120.423 120.200 -0.100 0.000 2.482 124 E HA -0.074 4.278 4.350 0.003 0.000 0.196 124 E C 1.834 178.328 176.600 -0.176 0.000 1.047 124 E CA 0.131 56.465 56.400 -0.110 0.000 0.869 124 E CB 0.173 29.841 29.700 -0.053 0.000 0.836 124 E HN 0.285 nan 8.360 nan 0.000 0.520 125 I N 1.190 121.580 120.570 -0.301 0.000 2.614 125 I HA -0.133 4.040 4.170 0.003 0.000 0.258 125 I C 1.198 176.941 176.117 -0.623 0.000 1.189 125 I CA 0.552 61.588 61.300 -0.440 0.000 1.462 125 I CB -0.508 37.174 38.000 -0.530 0.000 1.092 125 I HN 0.093 nan 8.210 nan 0.000 0.442 126 E N 2.524 122.320 120.200 -0.673 0.000 2.366 126 E HA -0.040 4.312 4.350 0.003 0.000 0.266 126 E C -0.057 176.468 176.600 -0.126 0.000 1.015 126 E CA -0.135 55.998 56.400 -0.446 0.000 0.906 126 E CB 0.563 30.172 29.700 -0.151 0.000 0.979 126 E HN 0.110 nan 8.360 nan 0.000 0.443 127 E N 3.799 124.004 120.200 0.009 0.000 2.360 127 E HA 0.032 4.384 4.350 0.003 0.000 0.269 127 E C -0.855 175.782 176.600 0.062 0.000 1.022 127 E CA -0.080 56.375 56.400 0.091 0.000 0.887 127 E CB 0.756 30.602 29.700 0.242 0.000 0.990 127 E HN 0.513 nan 8.360 nan 0.000 0.426 128 D N 1.296 121.690 120.400 -0.010 0.000 2.346 128 D HA 0.171 4.813 4.640 0.003 0.000 0.260 128 D C -0.269 175.920 176.300 -0.186 0.000 1.252 128 D CA 0.113 54.065 54.000 -0.079 0.000 0.895 128 D CB 0.538 41.288 40.800 -0.083 0.000 1.097 128 D HN 0.394 nan 8.370 nan 0.000 0.489 129 A N 2.919 125.578 122.820 -0.268 0.000 2.522 129 A HA 0.388 4.711 4.320 0.003 0.000 0.256 129 A C 1.273 178.291 177.584 -0.945 0.000 1.086 129 A CA -0.168 51.414 52.037 -0.758 0.000 0.763 129 A CB 0.221 18.904 19.000 -0.528 0.000 1.024 129 A HN 0.626 nan 8.150 nan 0.000 0.502 130 G N 1.842 109.541 108.800 -1.835 0.000 3.003 130 G HA2 0.380 4.342 3.960 0.003 0.000 0.266 130 G HA3 0.380 4.342 3.960 0.003 0.000 0.266 130 G C 0.193 174.793 174.900 -0.500 0.000 0.755 130 G CA -0.116 44.360 45.100 -1.040 0.000 2.061 130 G HN 0.530 nan 8.290 nan 0.000 0.599 131 L N 0.645 121.676 121.223 -0.320 0.000 3.135 131 L HA 0.413 4.755 4.340 0.003 0.000 0.279 131 L C 1.021 177.822 176.870 -0.116 0.000 1.200 131 L CA -0.042 54.760 54.840 -0.063 0.000 1.016 131 L CB 0.279 42.380 42.059 0.069 0.000 1.391 131 L HN 0.371 nan 8.230 nan 0.000 0.588 132 G N -1.229 107.336 108.800 -0.392 0.000 2.704 132 G HA2 0.339 4.302 3.960 0.003 0.000 0.293 132 G HA3 0.339 4.302 3.960 0.003 0.000 0.293 132 G C -0.079 174.240 174.900 -0.968 0.000 1.421 132 G CA -0.246 44.516 45.100 -0.564 0.000 0.870 132 G HN -0.076 nan 8.290 nan 0.000 0.492 133 N N -0.417 117.877 118.700 -0.677 0.000 2.426 133 N HA 0.325 5.067 4.740 0.003 0.000 0.205 133 N C 1.554 176.762 175.510 -0.504 0.000 1.040 133 N CA 1.838 54.557 53.050 -0.552 0.000 0.990 133 N CB 0.273 38.608 38.487 -0.254 0.000 1.215 133 N HN 0.707 nan 8.380 nan 0.000 0.491 134 G N -1.301 107.381 108.800 -0.196 0.000 3.054 134 G HA2 0.327 4.289 3.960 0.003 0.000 0.201 134 G HA3 0.327 4.289 3.960 0.003 0.000 0.201 134 G C 0.951 175.927 174.900 0.127 0.000 1.694 134 G CA 0.260 45.399 45.100 0.065 0.000 0.742 134 G HN 0.434 nan 8.290 nan 0.000 0.790 135 G N 0.590 109.418 108.800 0.046 0.000 2.739 135 G HA2 -0.211 3.751 3.960 0.003 0.000 0.216 135 G HA3 -0.211 3.751 3.960 0.003 0.000 0.216 135 G C 1.822 176.684 174.900 -0.063 0.000 1.298 135 G CA 1.235 46.334 45.100 -0.002 0.000 0.804 135 G HN 0.570 nan 8.290 nan 0.000 0.623 136 L N 0.942 122.086 121.223 -0.131 0.000 2.187 136 L HA 0.071 4.413 4.340 0.003 0.000 0.213 136 L C 2.696 179.431 176.870 -0.225 0.000 1.100 136 L CA 1.768 56.443 54.840 -0.276 0.000 0.765 136 L CB -0.328 41.498 42.059 -0.387 0.000 0.904 136 L HN 0.308 nan 8.230 nan 0.000 0.437 137 G N -0.946 107.777 108.800 -0.128 0.000 2.453 137 G HA2 -0.217 3.745 3.960 0.003 0.000 0.215 137 G HA3 -0.217 3.745 3.960 0.003 0.000 0.215 137 G C 1.573 176.457 174.900 -0.027 0.000 1.147 137 G CA 0.440 45.473 45.100 -0.111 0.000 0.802 137 G HN 0.311 nan 8.290 nan 0.000 0.535 138 R N 0.966 121.508 120.500 0.070 0.000 2.091 138 R HA -0.047 4.295 4.340 0.003 0.000 0.238 138 R C 2.564 178.797 176.300 -0.112 0.000 1.136 138 R CA 1.715 57.823 56.100 0.012 0.000 0.959 138 R CB -0.647 29.639 30.300 -0.022 0.000 0.856 138 R HN 0.452 nan 8.270 nan 0.000 0.437 139 L N -1.916 119.167 121.223 -0.235 0.000 2.093 139 L HA 0.188 4.530 4.340 0.003 0.000 0.208 139 L C 2.474 179.019 176.870 -0.542 0.000 1.085 139 L CA 1.410 55.960 54.840 -0.484 0.000 0.755 139 L CB -1.040 40.536 42.059 -0.806 0.000 0.904 139 L HN 0.145 nan 8.230 nan 0.000 0.435 140 A N 1.025 123.618 122.820 -0.377 0.000 1.940 140 A HA -0.098 4.224 4.320 0.003 0.000 0.219 140 A C 2.500 179.976 177.584 -0.181 0.000 1.176 140 A CA 2.005 53.855 52.037 -0.311 0.000 0.631 140 A CB -0.862 17.764 19.000 -0.624 0.000 0.814 140 A HN 0.560 nan 8.150 nan 0.000 0.446 141 A N -2.009 120.756 122.820 -0.092 0.000 2.168 141 A HA 0.041 4.363 4.320 0.003 0.000 0.215 141 A C 2.084 179.683 177.584 0.024 0.000 1.152 141 A CA 1.313 53.379 52.037 0.047 0.000 0.716 141 A CB -0.784 18.250 19.000 0.056 0.000 0.794 141 A HN 0.582 nan 8.150 nan 0.000 0.465 142 C N -2.070 117.237 119.300 0.013 0.000 2.602 142 C HA 0.141 4.603 4.460 0.003 0.000 0.282 142 C C 2.204 177.313 174.990 0.198 0.000 1.313 142 C CA 0.288 59.368 59.018 0.103 0.000 1.699 142 C CB -1.294 26.524 27.740 0.130 0.000 2.124 142 C HN 0.633 nan 8.230 nan 0.000 0.509 143 F N 1.454 121.341 119.950 -0.106 0.000 2.147 143 F HA -0.151 4.378 4.527 0.003 0.000 0.301 143 F C 2.285 177.957 175.800 -0.214 0.000 1.084 143 F CA 1.036 58.921 58.000 -0.192 0.000 1.268 143 F CB -1.378 37.392 39.000 -0.383 0.000 1.009 143 F HN 0.180 nan 8.300 nan 0.000 0.486 144 L N -0.313 120.919 121.223 0.015 0.000 2.046 144 L HA -0.230 4.112 4.340 0.003 0.000 0.208 144 L C 2.365 179.223 176.870 -0.021 0.000 1.077 144 L CA 2.179 57.013 54.840 -0.010 0.000 0.747 144 L CB -0.868 41.235 42.059 0.074 0.000 0.896 144 L HN 0.223 nan 8.230 nan 0.000 0.432 145 D N -0.480 119.915 120.400 -0.008 0.000 2.103 145 D HA -0.136 4.506 4.640 0.003 0.000 0.199 145 D C 1.854 178.146 176.300 -0.013 0.000 0.978 145 D CA 1.114 55.096 54.000 -0.031 0.000 0.829 145 D CB 0.428 41.203 40.800 -0.042 0.000 0.981 145 D HN 0.137 nan 8.370 nan 0.000 0.464 146 S N -0.032 115.675 115.700 0.011 0.000 2.537 146 S HA -0.030 4.443 4.470 0.003 0.000 0.240 146 S C 1.853 176.444 174.600 -0.015 0.000 0.981 146 S CA 0.414 58.616 58.200 0.003 0.000 0.948 146 S CB -0.035 63.175 63.200 0.016 0.000 0.759 146 S HN 0.354 nan 8.310 nan 0.000 0.531 147 M N 0.320 119.908 119.600 -0.021 0.000 2.357 147 M HA 0.107 4.589 4.480 0.003 0.000 0.266 147 M C 2.301 178.591 176.300 -0.016 0.000 1.095 147 M CA 0.799 56.090 55.300 -0.015 0.000 1.156 147 M CB -0.226 32.352 32.600 -0.036 0.000 1.365 147 M HN 0.349 nan 8.290 nan 0.000 0.447 148 A N -0.871 121.929 122.820 -0.033 0.000 2.119 148 A HA -0.074 4.248 4.320 0.003 0.000 0.217 148 A C 1.974 179.548 177.584 -0.017 0.000 1.153 148 A CA 1.514 53.529 52.037 -0.037 0.000 0.692 148 A CB -0.688 18.271 19.000 -0.067 0.000 0.799 148 A HN 0.378 nan 8.150 nan 0.000 0.458 149 T N -0.436 114.115 114.554 -0.004 0.000 3.081 149 T HA 0.277 4.629 4.350 0.003 0.000 0.250 149 T C 0.715 175.423 174.700 0.014 0.000 1.100 149 T CA 0.314 62.423 62.100 0.015 0.000 1.038 149 T CB -0.192 68.692 68.868 0.026 0.000 0.962 149 T HN 0.310 nan 8.240 nan 0.000 0.516 150 L N 0.576 121.806 121.223 0.010 0.000 3.154 150 L HA 0.346 4.688 4.340 0.003 0.000 0.266 150 L C 1.786 178.672 176.870 0.026 0.000 1.300 150 L CA -0.156 54.693 54.840 0.015 0.000 1.028 150 L CB -0.196 41.870 42.059 0.010 0.000 1.412 150 L HN 0.356 nan 8.230 nan 0.000 0.564 151 G N 0.671 109.486 108.800 0.025 0.000 3.019 151 G HA2 -0.365 3.597 3.960 0.003 0.000 0.231 151 G HA3 -0.365 3.597 3.960 0.003 0.000 0.231 151 G C 0.719 175.663 174.900 0.073 0.000 1.225 151 G CA 0.452 45.579 45.100 0.045 0.000 0.845 151 G HN 0.310 nan 8.290 nan 0.000 0.527 152 L N 0.450 121.706 121.223 0.056 0.000 3.088 152 L HA 0.044 4.386 4.340 0.003 0.000 0.376 152 L C 1.470 178.345 176.870 0.008 0.000 1.239 152 L CA 0.817 55.677 54.840 0.033 0.000 0.807 152 L CB -0.079 42.010 42.059 0.050 0.000 1.047 152 L HN 0.777 nan 8.230 nan 0.000 0.635 153 A N 2.873 125.612 122.820 -0.136 0.000 3.215 153 A HA 0.593 4.915 4.320 0.003 0.000 0.269 153 A C 0.478 177.885 177.584 -0.295 0.000 1.517 153 A CA 0.086 51.931 52.037 -0.319 0.000 1.221 153 A CB -0.233 18.272 19.000 -0.825 0.000 1.160 153 A HN 0.752 nan 8.150 nan 0.000 0.620 154 A N 0.475 123.147 122.820 -0.246 0.000 2.304 154 A HA 0.738 5.060 4.320 0.003 0.000 0.301 154 A C -0.913 176.436 177.584 -0.392 0.000 1.132 154 A CA -0.198 51.696 52.037 -0.239 0.000 0.819 154 A CB 0.357 19.257 19.000 -0.166 0.000 1.094 154 A HN 0.564 nan 8.150 nan 0.000 0.492 155 Y N -0.128 120.143 120.300 -0.049 0.000 2.406 155 Y HA 0.532 5.084 4.550 0.004 0.000 0.340 155 Y C 0.757 176.597 175.900 -0.100 0.000 0.975 155 Y CA -0.329 57.721 58.100 -0.083 0.000 1.056 155 Y CB 2.457 40.900 38.460 -0.029 0.000 1.210 155 Y HN 0.840 nan 8.280 nan 0.000 0.448 156 G N 2.046 110.797 108.800 -0.080 0.000 2.343 156 G HA2 0.495 4.457 3.960 0.003 0.000 0.319 156 G HA3 0.495 4.457 3.960 0.003 0.000 0.319 156 G C -1.930 172.831 174.900 -0.232 0.000 1.126 156 G CA -0.339 44.732 45.100 -0.049 0.000 0.889 156 G HN 0.444 nan 8.290 nan 0.000 0.457 157 Y N 1.214 121.535 120.300 0.036 0.000 2.327 157 Y HA 0.630 5.182 4.550 0.003 0.000 0.325 157 Y C 0.644 176.611 175.900 0.110 0.000 0.999 157 Y CA -0.595 57.506 58.100 0.001 0.000 1.195 157 Y CB 2.261 40.789 38.460 0.115 0.000 1.132 157 Y HN 0.869 nan 8.280 nan 0.000 0.455 158 G N 2.034 110.942 108.800 0.179 0.000 2.749 158 G HA2 0.637 4.600 3.960 0.003 0.000 0.300 158 G HA3 0.637 4.600 3.960 0.003 0.000 0.300 158 G C -1.477 173.548 174.900 0.209 0.000 1.352 158 G CA -0.932 44.349 45.100 0.302 0.000 0.789 158 G HN 0.371 nan 8.290 nan 0.000 0.509 159 I N 0.574 121.274 120.570 0.217 0.000 2.440 159 I HA 0.414 4.586 4.170 0.003 0.000 0.294 159 I C 0.552 176.640 176.117 -0.048 0.000 0.995 159 I CA -0.668 60.678 61.300 0.077 0.000 1.306 159 I CB 1.667 39.628 38.000 -0.064 0.000 1.407 159 I HN 0.293 nan 8.210 nan 0.000 0.501 160 R N 5.796 126.301 120.500 0.009 0.000 2.215 160 R HA 0.277 4.619 4.340 0.003 0.000 0.336 160 R C -1.579 174.743 176.300 0.036 0.000 0.996 160 R CA -0.525 55.628 56.100 0.088 0.000 0.847 160 R CB 0.514 30.845 30.300 0.051 0.000 1.127 160 R HN 0.448 nan 8.270 nan 0.000 0.465 161 Y N 3.114 123.572 120.300 0.264 0.000 2.480 161 Y HA 0.006 4.558 4.550 0.004 0.000 0.341 161 Y C 1.448 177.495 175.900 0.245 0.000 1.031 161 Y CA 0.113 58.367 58.100 0.257 0.000 1.295 161 Y CB 1.158 39.770 38.460 0.253 0.000 1.162 161 Y HN 0.675 nan 8.280 nan 0.000 0.523 162 E N 2.240 122.553 120.200 0.187 0.000 2.150 162 E HA -0.143 4.209 4.350 0.003 0.000 0.193 162 E C 0.077 176.396 176.600 -0.467 0.000 0.985 162 E CA 1.161 57.425 56.400 -0.227 0.000 0.814 162 E CB 0.103 29.687 29.700 -0.194 0.000 0.752 162 E HN 0.655 nan 8.360 nan 0.000 0.466 163 F N -0.618 119.481 119.950 0.247 0.000 2.791 163 F HA 0.301 4.830 4.527 0.003 0.000 0.316 163 F C 0.921 176.887 175.800 0.277 0.000 1.134 163 F CA 0.037 58.187 58.000 0.250 0.000 1.222 163 F CB 0.831 39.918 39.000 0.146 0.000 1.034 163 F HN -0.003 nan 8.300 nan 0.000 0.516 164 G N 1.325 110.401 108.800 0.459 0.000 2.574 164 G HA2 -0.302 3.660 3.960 0.003 0.000 0.295 164 G HA3 -0.302 3.660 3.960 0.003 0.000 0.295 164 G C -0.185 174.707 174.900 -0.013 0.000 1.300 164 G CA -0.376 44.815 45.100 0.151 0.000 0.944 164 G HN 0.121 nan 8.290 nan 0.000 0.551 165 I N 1.522 121.997 120.570 -0.159 0.000 2.664 165 I HA 0.528 4.700 4.170 0.003 0.000 0.308 165 I C 1.540 177.593 176.117 -0.107 0.000 0.984 165 I CA -0.982 60.226 61.300 -0.154 0.000 1.213 165 I CB 0.913 38.725 38.000 -0.314 0.000 1.379 165 I HN 0.600 nan 8.210 nan 0.000 0.501 166 F N 4.523 124.495 119.950 0.037 0.000 2.741 166 F HA 0.026 4.555 4.527 0.003 0.000 0.303 166 F C 0.296 176.143 175.800 0.078 0.000 1.178 166 F CA -0.046 57.996 58.000 0.071 0.000 1.335 166 F CB -0.408 38.630 39.000 0.063 0.000 1.082 166 F HN 0.458 nan 8.300 nan 0.000 0.622 167 N N -1.026 117.896 118.700 0.371 0.000 2.525 167 N HA 0.270 5.012 4.740 0.003 0.000 0.288 167 N C -1.589 174.168 175.510 0.411 0.000 1.242 167 N CA -0.985 52.214 53.050 0.247 0.000 0.905 167 N CB 1.398 40.000 38.487 0.192 0.000 1.258 167 N HN 0.639 nan 8.380 nan 0.000 0.551 168 Q N 1.524 121.489 119.800 0.275 0.000 2.333 168 Q HA 0.296 4.638 4.340 0.003 0.000 0.267 168 Q C -1.557 174.542 176.000 0.166 0.000 1.012 168 Q CA -0.716 55.256 55.803 0.281 0.000 0.824 168 Q CB 1.308 30.216 28.738 0.284 0.000 1.290 168 Q HN 0.240 nan 8.270 nan 0.000 0.449 169 K N 4.664 125.146 120.400 0.136 0.000 2.463 169 K HA 0.395 4.717 4.320 0.003 0.000 0.255 169 K C -1.533 175.106 176.600 0.065 0.000 0.942 169 K CA -0.611 55.724 56.287 0.079 0.000 0.814 169 K CB 0.958 33.508 32.500 0.083 0.000 1.122 169 K HN 0.530 nan 8.250 nan 0.000 0.425 170 I N 4.350 124.940 120.570 0.033 0.000 2.336 170 I HA 0.351 4.523 4.170 0.003 0.000 0.292 170 I C -0.615 175.511 176.117 0.016 0.000 0.991 170 I CA -0.755 60.557 61.300 0.020 0.000 1.227 170 I CB 0.974 38.972 38.000 -0.004 0.000 1.366 170 I HN 0.559 nan 8.210 nan 0.000 0.466 171 C N 3.934 123.258 119.300 0.040 0.000 2.442 171 C HA 0.584 5.046 4.460 0.003 0.000 0.335 171 C C 0.849 175.892 174.990 0.088 0.000 1.134 171 C CA -0.720 58.331 59.018 0.055 0.000 1.344 171 C CB 0.576 28.356 27.740 0.066 0.000 1.956 171 C HN 1.086 nan 8.230 nan 0.000 0.438 172 G N 2.541 111.359 108.800 0.029 0.000 2.314 172 G HA2 0.168 4.131 3.960 0.003 0.000 0.292 172 G HA3 0.168 4.131 3.960 0.003 0.000 0.292 172 G C 1.076 175.839 174.900 -0.229 0.000 1.059 172 G CA 0.789 45.878 45.100 -0.017 0.000 0.982 172 G HN 2.430 nan 8.290 nan 0.000 0.505 173 G N -2.200 106.459 108.800 -0.234 0.000 2.200 173 G HA2 -0.340 3.622 3.960 0.003 0.000 0.268 173 G HA3 -0.340 3.622 3.960 0.003 0.000 0.268 173 G C 0.459 175.142 174.900 -0.362 0.000 0.986 173 G CA 0.969 45.841 45.100 -0.379 0.000 0.677 173 G HN 1.274 nan 8.290 nan 0.000 0.532 174 W N 0.372 121.611 121.300 -0.103 0.000 2.475 174 W HA 0.574 5.236 4.660 0.004 0.000 0.317 174 W C 0.593 177.057 176.519 -0.091 0.000 1.046 174 W CA -1.142 56.147 57.345 -0.093 0.000 1.215 174 W CB 1.080 30.504 29.460 -0.061 0.000 1.335 174 W HN 0.157 nan 8.180 nan 0.000 0.471 175 Q N 3.816 123.698 119.800 0.136 0.000 2.271 175 Q HA 0.104 4.446 4.340 0.003 0.000 0.273 175 Q C -0.418 175.611 176.000 0.049 0.000 1.051 175 Q CA 0.365 56.207 55.803 0.065 0.000 0.901 175 Q CB 0.550 29.314 28.738 0.043 0.000 1.174 175 Q HN 0.312 nan 8.270 nan 0.000 0.385 176 M N 4.556 124.184 119.600 0.047 0.000 2.167 176 M HA 0.240 4.722 4.480 0.003 0.000 0.333 176 M C -0.850 175.464 176.300 0.024 0.000 1.030 176 M CA -0.615 54.697 55.300 0.020 0.000 0.963 176 M CB 1.700 34.324 32.600 0.040 0.000 1.589 176 M HN 0.601 nan 8.290 nan 0.000 0.431 177 E N 2.912 123.083 120.200 -0.049 0.000 2.229 177 E HA 0.339 4.691 4.350 0.003 0.000 0.283 177 E C -0.468 176.181 176.600 0.081 0.000 1.030 177 E CA -0.204 56.193 56.400 -0.004 0.000 0.836 177 E CB 1.471 30.960 29.700 -0.353 0.000 1.068 177 E HN 0.563 nan 8.360 nan 0.000 0.401 178 E N 1.097 121.395 120.200 0.163 0.000 4.416 178 E HA 0.580 4.933 4.350 0.003 0.000 0.416 178 E C -0.487 176.224 176.600 0.186 0.000 1.099 178 E CA -0.739 55.748 56.400 0.146 0.000 2.560 178 E CB 0.614 30.402 29.700 0.147 0.000 1.873 178 E HN 0.637 nan 8.360 nan 0.000 0.726 179 A N 0.590 123.529 122.820 0.197 0.000 2.515 179 A HA 0.315 4.637 4.320 0.003 0.000 0.298 179 A C -1.535 176.217 177.584 0.281 0.000 1.059 179 A CA -0.571 51.610 52.037 0.241 0.000 0.698 179 A CB 1.537 20.668 19.000 0.219 0.000 1.289 179 A HN 0.430 nan 8.150 nan 0.000 0.404 180 D N 1.655 122.257 120.400 0.338 0.000 2.767 180 D HA 0.321 4.964 4.640 0.003 0.000 0.241 180 D C -0.728 175.815 176.300 0.405 0.000 1.187 180 D CA -0.041 54.161 54.000 0.337 0.000 0.999 180 D CB 0.022 40.983 40.800 0.269 0.000 1.042 180 D HN 0.531 nan 8.370 nan 0.000 0.510 181 D N 0.461 121.040 120.400 0.299 0.000 2.479 181 D HA 0.041 4.683 4.640 0.003 0.000 0.218 181 D C 1.404 177.776 176.300 0.121 0.000 1.131 181 D CA -0.914 53.126 54.000 0.067 0.000 0.916 181 D CB 0.182 40.963 40.800 -0.032 0.000 1.022 181 D HN 0.299 nan 8.370 nan 0.000 0.515 182 W N 2.459 123.761 121.300 0.004 0.000 2.518 182 W HA 0.082 4.744 4.660 0.004 0.000 0.273 182 W C -0.401 176.137 176.519 0.032 0.000 1.247 182 W CA -0.350 57.028 57.345 0.056 0.000 1.288 182 W CB -0.556 28.944 29.460 0.066 0.000 1.107 182 W HN 0.202 nan 8.180 nan 0.000 0.586 183 L N 2.279 123.122 121.223 -0.633 0.000 2.422 183 L HA 0.342 4.684 4.340 0.003 0.000 0.256 183 L C 1.355 178.017 176.870 -0.346 0.000 1.202 183 L CA -0.003 54.491 54.840 -0.578 0.000 1.119 183 L CB 0.075 41.599 42.059 -0.891 0.000 1.383 183 L HN -0.038 nan 8.230 nan 0.000 0.411 184 R N 0.589 120.985 120.500 -0.173 0.000 2.242 184 R HA 0.138 4.480 4.340 0.003 0.000 0.138 184 R C 0.826 177.016 176.300 -0.184 0.000 2.004 184 R CA -0.124 55.846 56.100 -0.218 0.000 1.618 184 R CB 0.045 30.215 30.300 -0.216 0.000 1.371 184 R HN 0.275 nan 8.270 nan 0.000 0.480 185 Y N 0.541 120.861 120.300 0.034 0.000 2.502 185 Y HA 0.384 4.936 4.550 0.003 0.000 0.295 185 Y C 0.523 176.325 175.900 -0.164 0.000 1.193 185 Y CA 0.553 58.648 58.100 -0.008 0.000 1.295 185 Y CB 0.812 39.350 38.460 0.130 0.000 1.059 185 Y HN 0.548 nan 8.280 nan 0.000 0.514 186 G N 0.810 109.631 108.800 0.034 0.000 2.402 186 G HA2 -0.053 3.909 3.960 0.003 0.000 0.666 186 G HA3 -0.053 3.909 3.960 0.003 0.000 0.666 186 G C -1.766 173.204 174.900 0.117 0.000 1.402 186 G CA -1.134 43.915 45.100 -0.085 0.000 0.920 186 G HN 0.115 nan 8.290 nan 0.000 0.651 187 N N 1.448 120.184 118.700 0.059 0.000 2.716 187 N HA 0.491 5.233 4.740 0.003 0.000 0.253 187 N C -1.005 174.523 175.510 0.029 0.000 1.170 187 N CA -1.941 51.214 53.050 0.176 0.000 0.807 187 N CB 2.017 40.614 38.487 0.182 0.000 1.183 187 N HN 0.245 nan 8.380 nan 0.000 0.524 188 P HA -0.014 nan 4.420 nan 0.000 0.234 188 P C 0.402 177.447 177.300 -0.425 0.000 1.167 188 P CA 0.594 63.416 63.100 -0.464 0.000 0.763 188 P CB -0.079 31.099 31.700 -0.870 0.000 0.835 189 W N 1.865 123.175 121.300 0.016 0.000 3.180 189 W HA 0.092 4.754 4.660 0.004 0.000 0.254 189 W C 0.511 177.052 176.519 0.037 0.000 1.318 189 W CA -0.536 56.815 57.345 0.010 0.000 1.608 189 W CB 0.009 29.476 29.460 0.011 0.000 1.124 189 W HN 0.107 nan 8.180 nan 0.000 0.694 190 E N 0.390 120.726 120.200 0.228 0.000 2.256 190 E HA 0.342 4.694 4.350 0.003 0.000 0.268 190 E C -0.691 176.039 176.600 0.217 0.000 0.877 190 E CA -1.176 55.363 56.400 0.230 0.000 0.757 190 E CB 1.726 31.573 29.700 0.244 0.000 1.183 190 E HN -0.361 nan 8.360 nan 0.000 0.418 191 K N 2.519 123.060 120.400 0.235 0.000 2.234 191 K HA 0.433 4.755 4.320 0.003 0.000 0.277 191 K C -0.324 176.313 176.600 0.063 0.000 1.038 191 K CA -0.466 55.908 56.287 0.144 0.000 0.888 191 K CB 1.210 33.779 32.500 0.115 0.000 1.091 191 K HN 0.761 nan 8.250 nan 0.000 0.467 192 A N 4.139 126.949 122.820 -0.017 0.000 2.475 192 A HA 0.149 4.471 4.320 0.003 0.000 0.239 192 A C 0.293 177.690 177.584 -0.311 0.000 1.087 192 A CA 0.224 52.059 52.037 -0.337 0.000 0.779 192 A CB 0.289 19.083 19.000 -0.344 0.000 1.036 192 A HN 0.683 nan 8.150 nan 0.000 0.506 193 R N 0.496 120.741 120.500 -0.425 0.000 2.795 193 R HA 0.206 4.548 4.340 0.003 0.000 0.320 193 R C -2.326 173.885 176.300 -0.148 0.000 1.223 193 R CA -1.506 54.406 56.100 -0.313 0.000 1.305 193 R CB 0.041 30.047 30.300 -0.490 0.000 1.318 193 R HN 0.455 nan 8.270 nan 0.000 0.636 194 P HA -0.213 nan 4.420 nan 0.000 0.218 194 P C 0.674 178.029 177.300 0.092 0.000 1.152 194 P CA 1.448 64.540 63.100 -0.014 0.000 0.857 194 P CB 0.458 32.153 31.700 -0.007 0.000 0.787 195 E N -1.046 119.252 120.200 0.164 0.000 2.049 195 E HA -0.181 4.171 4.350 0.003 0.000 0.198 195 E C 1.008 177.814 176.600 0.344 0.000 1.007 195 E CA 1.237 57.797 56.400 0.266 0.000 0.809 195 E CB -0.856 29.094 29.700 0.418 0.000 0.749 195 E HN 0.303 nan 8.360 nan 0.000 0.450 196 F N 1.082 121.048 119.950 0.027 0.000 2.663 196 F HA 0.206 4.735 4.527 0.004 0.000 0.299 196 F C 0.283 176.145 175.800 0.103 0.000 1.143 196 F CA -0.556 57.479 58.000 0.059 0.000 1.387 196 F CB -1.229 37.809 39.000 0.065 0.000 1.019 196 F HN -0.291 nan 8.300 nan 0.000 0.523 197 T N 3.018 117.722 114.554 0.252 0.000 2.800 197 T HA 0.048 4.400 4.350 0.003 0.000 0.283 197 T C 0.311 175.100 174.700 0.148 0.000 0.999 197 T CA 0.511 62.733 62.100 0.203 0.000 1.176 197 T CB 0.117 69.073 68.868 0.146 0.000 0.973 197 T HN 0.064 nan 8.240 nan 0.000 0.519 198 L N 7.217 128.501 121.223 0.101 0.000 2.295 198 L HA 0.369 4.712 4.340 0.003 0.000 0.285 198 L C -1.732 175.105 176.870 -0.056 0.000 1.035 198 L CA -2.521 52.306 54.840 -0.023 0.000 0.806 198 L CB 1.468 43.438 42.059 -0.149 0.000 1.214 198 L HN 0.396 nan 8.230 nan 0.000 0.426 199 P HA 0.000 nan 4.420 nan 0.000 0.259 199 P C -0.636 176.535 177.300 -0.214 0.000 1.211 199 P CA 0.136 63.187 63.100 -0.082 0.000 0.810 199 P CB 0.536 32.205 31.700 -0.051 0.000 0.815 200 V N 6.263 126.090 119.914 -0.145 0.000 2.532 200 V HA 0.384 4.506 4.120 0.003 0.000 0.295 200 V C 0.226 176.198 176.094 -0.204 0.000 1.041 200 V CA -0.220 61.944 62.300 -0.228 0.000 0.926 200 V CB 1.099 32.903 31.823 -0.032 0.000 0.992 200 V HN 0.725 nan 8.190 nan 0.000 0.457 201 H N 2.207 121.136 119.070 -0.236 0.000 2.974 201 H HA 0.718 5.277 4.556 0.003 0.000 0.366 201 H C -1.552 173.501 175.328 -0.458 0.000 1.155 201 H CA -1.312 54.548 56.048 -0.313 0.000 1.186 201 H CB 0.753 30.346 29.762 -0.281 0.000 1.799 201 H HN 0.300 nan 8.280 nan 0.000 0.541 202 F N 1.104 121.177 119.950 0.205 0.000 2.457 202 F HA 0.470 4.999 4.527 0.003 0.000 0.330 202 F C 0.401 176.319 175.800 0.197 0.000 1.069 202 F CA -0.141 57.917 58.000 0.096 0.000 1.009 202 F CB 0.407 39.324 39.000 -0.138 0.000 1.276 202 F HN 0.678 nan 8.300 nan 0.000 0.492 203 Y N -0.168 120.392 120.300 0.434 0.000 2.887 203 Y HA -0.026 4.527 4.550 0.004 0.000 0.467 203 Y C 1.249 177.354 175.900 0.341 0.000 1.191 203 Y CA 0.608 58.886 58.100 0.296 0.000 2.537 203 Y CB -1.974 36.590 38.460 0.173 0.000 1.225 203 Y HN 1.179 nan 8.280 nan 0.000 0.630 204 G N 0.387 109.394 108.800 0.345 0.000 2.760 204 G HA2 0.002 3.964 3.960 0.003 0.000 0.246 204 G HA3 0.002 3.964 3.960 0.003 0.000 0.246 204 G C -0.747 174.332 174.900 0.299 0.000 1.359 204 G CA 0.236 45.478 45.100 0.236 0.000 0.861 204 G HN 0.982 nan 8.290 nan 0.000 0.541 205 R N -1.417 119.248 120.500 0.275 0.000 2.673 205 R HA 0.635 4.977 4.340 0.003 0.000 0.281 205 R C -0.977 175.457 176.300 0.224 0.000 0.991 205 R CA -0.806 55.409 56.100 0.192 0.000 0.896 205 R CB 2.043 32.406 30.300 0.106 0.000 1.201 205 R HN 0.790 nan 8.270 nan 0.000 0.457 206 V N 3.361 123.365 119.914 0.150 0.000 2.311 206 V HA 0.224 4.346 4.120 0.003 0.000 0.275 206 V C -0.089 176.043 176.094 0.063 0.000 1.022 206 V CA -0.598 61.750 62.300 0.079 0.000 0.830 206 V CB 0.908 32.745 31.823 0.024 0.000 1.012 206 V HN 0.779 nan 8.190 nan 0.000 0.452 207 E N 4.581 124.782 120.200 0.001 0.000 2.223 207 E HA 0.184 4.536 4.350 0.003 0.000 0.282 207 E C -0.497 176.062 176.600 -0.069 0.000 1.046 207 E CA -0.382 56.028 56.400 0.017 0.000 0.857 207 E CB 0.456 30.163 29.700 0.012 0.000 1.055 207 E HN 0.698 nan 8.360 nan 0.000 0.409 208 H N 3.431 122.514 119.070 0.022 0.000 2.488 208 H HA 0.248 4.806 4.556 0.003 0.000 0.322 208 H C -0.134 175.202 175.328 0.014 0.000 1.078 208 H CA -0.361 55.697 56.048 0.016 0.000 1.260 208 H CB 2.040 31.806 29.762 0.008 0.000 1.425 208 H HN 0.545 nan 8.280 nan 0.000 0.471 209 T N 0.303 114.911 114.554 0.090 0.000 2.644 209 T HA 0.128 4.480 4.350 0.003 0.000 0.253 209 T C 1.615 176.350 174.700 0.059 0.000 0.910 209 T CA 0.322 62.456 62.100 0.057 0.000 1.066 209 T CB 0.476 69.358 68.868 0.023 0.000 1.484 209 T HN 0.673 nan 8.240 nan 0.000 0.560 210 S N 0.728 116.452 115.700 0.040 0.000 2.398 210 S HA -0.151 4.321 4.470 0.003 0.000 0.220 210 S C 1.425 176.051 174.600 0.044 0.000 1.038 210 S CA 1.442 59.664 58.200 0.037 0.000 1.080 210 S CB -0.804 62.413 63.200 0.029 0.000 1.039 210 S HN 0.622 nan 8.310 nan 0.000 0.419 211 Q N 1.816 121.642 119.800 0.044 0.000 2.297 211 Q HA 0.535 4.877 4.340 0.003 0.000 0.265 211 Q C 0.772 176.811 176.000 0.066 0.000 0.904 211 Q CA 0.433 56.267 55.803 0.052 0.000 0.969 211 Q CB 0.194 28.961 28.738 0.048 0.000 1.115 211 Q HN 0.806 nan 8.270 nan 0.000 0.433 212 G N -0.817 108.030 108.800 0.078 0.000 2.637 212 G HA2 0.106 4.069 3.960 0.003 0.000 0.211 212 G HA3 0.106 4.069 3.960 0.003 0.000 0.211 212 G C -0.689 174.241 174.900 0.049 0.000 1.213 212 G CA -0.373 44.789 45.100 0.103 0.000 1.207 212 G HN 0.605 nan 8.290 nan 0.000 0.559 213 A N -0.509 122.274 122.820 -0.061 0.000 2.504 213 A HA 0.952 5.274 4.320 0.003 0.000 0.285 213 A C -0.564 176.928 177.584 -0.153 0.000 1.261 213 A CA 0.687 52.558 52.037 -0.276 0.000 0.741 213 A CB 1.843 20.452 19.000 -0.653 0.000 1.327 213 A HN 1.517 nan 8.150 nan 0.000 0.441 214 K N 0.173 120.476 120.400 -0.162 0.000 2.651 214 K HA 0.259 4.581 4.320 0.003 0.000 0.259 214 K C -2.143 174.484 176.600 0.045 0.000 1.017 214 K CA -0.350 55.919 56.287 -0.029 0.000 0.897 214 K CB 1.061 33.546 32.500 -0.026 0.000 1.262 214 K HN 0.673 nan 8.250 nan 0.000 0.460 215 W N 6.770 128.000 121.300 -0.116 0.000 2.546 215 W HA 0.277 4.939 4.660 0.003 0.000 0.323 215 W C -0.573 175.887 176.519 -0.098 0.000 1.272 215 W CA -0.415 56.871 57.345 -0.099 0.000 1.404 215 W CB -0.078 29.335 29.460 -0.079 0.000 1.411 215 W HN 0.295 nan 8.180 nan 0.000 0.480 216 V N 2.504 122.437 119.914 0.031 0.000 3.166 216 V HA 0.556 4.678 4.120 0.003 0.000 0.317 216 V C 0.228 176.233 176.094 -0.148 0.000 1.136 216 V CA -0.682 61.544 62.300 -0.124 0.000 1.035 216 V CB 1.639 33.433 31.823 -0.049 0.000 1.110 216 V HN 0.576 nan 8.190 nan 0.000 0.450 217 D N -0.611 119.694 120.400 -0.158 0.000 3.077 217 D HA -0.171 4.471 4.640 0.003 0.000 0.217 217 D C 0.527 176.734 176.300 -0.156 0.000 1.162 217 D CA 1.403 55.330 54.000 -0.122 0.000 0.943 217 D CB -1.211 39.564 40.800 -0.041 0.000 1.122 217 D HN 1.249 nan 8.370 nan 0.000 0.413 218 T N -1.728 112.630 114.554 -0.326 0.000 2.906 218 T HA 0.063 4.415 4.350 0.003 0.000 0.320 218 T C 0.335 174.959 174.700 -0.127 0.000 1.088 218 T CA -0.477 61.438 62.100 -0.309 0.000 1.120 218 T CB 1.534 69.903 68.868 -0.831 0.000 1.000 218 T HN 0.260 nan 8.240 nan 0.000 0.550 219 Q N 0.930 120.779 119.800 0.081 0.000 2.286 219 Q HA 0.464 4.806 4.340 0.003 0.000 0.257 219 Q C -1.375 174.746 176.000 0.201 0.000 0.941 219 Q CA -0.713 55.190 55.803 0.167 0.000 0.912 219 Q CB 0.831 29.769 28.738 0.334 0.000 1.192 219 Q HN 0.628 nan 8.270 nan 0.000 0.410 220 V N 5.470 125.479 119.914 0.160 0.000 2.334 220 V HA 0.282 4.404 4.120 0.003 0.000 0.281 220 V C -0.648 175.566 176.094 0.200 0.000 1.016 220 V CA -0.623 61.782 62.300 0.175 0.000 0.832 220 V CB 1.698 33.587 31.823 0.110 0.000 0.999 220 V HN 0.629 nan 8.190 nan 0.000 0.439 221 V N 7.086 127.141 119.914 0.235 0.000 2.370 221 V HA 0.395 4.517 4.120 0.003 0.000 0.279 221 V C 0.190 176.394 176.094 0.183 0.000 1.029 221 V CA -0.488 61.944 62.300 0.220 0.000 0.870 221 V CB 1.507 33.485 31.823 0.259 0.000 0.984 221 V HN 0.607 nan 8.190 nan 0.000 0.451 222 L N 4.165 125.491 121.223 0.171 0.000 2.380 222 L HA 0.524 4.866 4.340 0.003 0.000 0.273 222 L C 0.712 177.737 176.870 0.257 0.000 1.138 222 L CA -0.149 54.794 54.840 0.171 0.000 0.832 222 L CB 1.165 43.313 42.059 0.148 0.000 1.124 222 L HN 0.744 nan 8.230 nan 0.000 0.454 223 A N 5.555 128.523 122.820 0.247 0.000 2.690 223 A HA 0.451 4.773 4.320 0.003 0.000 0.342 223 A C -0.236 177.555 177.584 0.345 0.000 1.410 223 A CA -0.539 51.694 52.037 0.326 0.000 0.958 223 A CB 0.300 19.221 19.000 -0.131 0.000 1.153 223 A HN 0.754 nan 8.150 nan 0.000 0.497 224 M N 5.282 125.124 119.600 0.404 0.000 2.185 224 M HA 0.442 4.924 4.480 0.003 0.000 0.357 224 M C -2.488 174.068 176.300 0.428 0.000 1.260 224 M CA -1.435 54.072 55.300 0.346 0.000 1.124 224 M CB 1.195 33.928 32.600 0.223 0.000 1.600 224 M HN 0.298 nan 8.290 nan 0.000 0.467 225 P HA 0.204 nan 4.420 nan 0.000 0.290 225 P C -1.941 175.263 177.300 -0.159 0.000 1.276 225 P CA -0.010 63.034 63.100 -0.093 0.000 0.808 225 P CB 0.498 31.959 31.700 -0.398 0.000 0.966 226 Y N 0.696 120.914 120.300 -0.136 0.000 2.429 226 Y HA 0.366 4.918 4.550 0.003 0.000 0.342 226 Y C 0.406 176.250 175.900 -0.092 0.000 1.004 226 Y CA -0.095 57.962 58.100 -0.072 0.000 1.075 226 Y CB 1.595 40.046 38.460 -0.016 0.000 1.214 226 Y HN 0.243 nan 8.280 nan 0.000 0.455 227 D N 1.637 122.104 120.400 0.112 0.000 2.344 227 D HA 0.376 5.018 4.640 0.003 0.000 0.239 227 D C -0.973 175.426 176.300 0.166 0.000 1.064 227 D CA -0.331 53.763 54.000 0.155 0.000 0.829 227 D CB 1.707 42.688 40.800 0.302 0.000 1.129 227 D HN 0.412 nan 8.370 nan 0.000 0.506 228 T N 3.096 117.619 114.554 -0.052 0.000 2.812 228 T HA 0.450 4.802 4.350 0.003 0.000 0.282 228 T C -2.508 171.807 174.700 -0.641 0.000 0.990 228 T CA -1.552 60.410 62.100 -0.230 0.000 0.960 228 T CB 2.111 70.910 68.868 -0.114 0.000 0.948 228 T HN 0.142 nan 8.240 nan 0.000 0.438 229 P HA 0.226 nan 4.420 nan 0.000 0.271 229 P C -0.679 176.252 177.300 -0.615 0.000 1.216 229 P CA -0.381 61.965 63.100 -1.257 0.000 0.776 229 P CB 0.772 31.696 31.700 -1.294 0.000 0.881 230 V N 0.903 120.530 119.914 -0.479 0.000 2.409 230 V HA 0.491 4.613 4.120 0.003 0.000 0.290 230 V C -2.364 173.583 176.094 -0.244 0.000 1.017 230 V CA -2.774 59.342 62.300 -0.307 0.000 0.841 230 V CB 1.595 33.282 31.823 -0.226 0.000 1.003 230 V HN 0.434 nan 8.190 nan 0.000 0.426 231 P HA 0.437 nan 4.420 nan 0.000 0.278 231 P C 0.265 177.506 177.300 -0.099 0.000 1.258 231 P CA 0.228 63.246 63.100 -0.137 0.000 0.811 231 P CB 1.904 33.534 31.700 -0.117 0.000 1.063 232 G N -0.169 108.586 108.800 -0.075 0.000 2.511 232 G HA2 0.231 4.193 3.960 0.003 0.000 0.316 232 G HA3 0.231 4.193 3.960 0.003 0.000 0.316 232 G C -1.248 173.640 174.900 -0.019 0.000 1.210 232 G CA -0.508 44.572 45.100 -0.034 0.000 0.969 232 G HN 0.451 nan 8.290 nan 0.000 0.492 233 Y N 0.768 121.020 120.300 -0.079 0.000 2.576 233 Y HA 0.207 4.759 4.550 0.004 0.000 0.348 233 Y C 1.418 177.278 175.900 -0.067 0.000 1.212 233 Y CA -0.240 57.812 58.100 -0.081 0.000 1.683 233 Y CB -0.556 37.852 38.460 -0.087 0.000 1.484 233 Y HN 0.756 nan 8.280 nan 0.000 0.477 234 R N 1.378 121.598 120.500 -0.467 0.000 4.000 234 R HA -0.322 4.020 4.340 0.003 0.000 0.362 234 R C 0.004 176.171 176.300 -0.223 0.000 1.183 234 R CA 1.439 57.311 56.100 -0.380 0.000 1.011 234 R CB -2.082 27.903 30.300 -0.525 0.000 1.501 234 R HN 0.884 nan 8.270 nan 0.000 0.553 235 N N 0.028 118.633 118.700 -0.157 0.000 2.758 235 N HA 0.101 4.843 4.740 0.003 0.000 0.293 235 N C -0.213 175.243 175.510 -0.090 0.000 1.273 235 N CA -0.434 52.555 53.050 -0.102 0.000 1.022 235 N CB 0.337 38.782 38.487 -0.069 0.000 1.334 235 N HN 0.056 nan 8.380 nan 0.000 0.519 236 N N -0.411 118.236 118.700 -0.088 0.000 2.604 236 N HA -0.205 4.537 4.740 0.003 0.000 0.246 236 N C -0.574 174.883 175.510 -0.088 0.000 1.190 236 N CA 1.226 54.231 53.050 -0.075 0.000 0.738 236 N CB -0.904 37.542 38.487 -0.067 0.000 1.125 236 N HN 0.601 nan 8.380 nan 0.000 0.561 237 V N -1.615 118.242 119.914 -0.096 0.000 2.513 237 V HA 0.715 4.837 4.120 0.003 0.000 0.299 237 V C -0.260 175.779 176.094 -0.092 0.000 1.035 237 V CA -0.692 61.540 62.300 -0.113 0.000 0.889 237 V CB 2.266 34.018 31.823 -0.118 0.000 0.988 237 V HN -0.143 nan 8.190 nan 0.000 0.440 238 V N 7.056 126.922 119.914 -0.080 0.000 2.419 238 V HA 0.517 4.639 4.120 0.003 0.000 0.287 238 V C -0.032 175.988 176.094 -0.123 0.000 1.017 238 V CA -0.731 61.501 62.300 -0.112 0.000 0.844 238 V CB 1.159 32.948 31.823 -0.058 0.000 1.011 238 V HN 0.995 nan 8.190 nan 0.000 0.429 239 N N 1.931 120.519 118.700 -0.188 0.000 2.385 239 N HA 0.452 5.194 4.740 0.003 0.000 0.291 239 N C 0.203 175.557 175.510 -0.260 0.000 1.298 239 N CA -0.207 52.729 53.050 -0.191 0.000 0.955 239 N CB 0.545 38.902 38.487 -0.217 0.000 1.096 239 N HN 0.593 nan 8.380 nan 0.000 0.543 240 T N 0.217 114.661 114.554 -0.183 0.000 2.926 240 T HA 0.563 4.915 4.350 0.003 0.000 0.289 240 T C -0.768 173.822 174.700 -0.182 0.000 1.054 240 T CA -0.522 61.500 62.100 -0.130 0.000 1.015 240 T CB 0.992 70.039 68.868 0.298 0.000 1.167 240 T HN 0.140 nan 8.240 nan 0.000 0.526 241 M N 2.419 121.893 119.600 -0.211 0.000 2.213 241 M HA 0.440 4.922 4.480 0.003 0.000 0.286 241 M C -1.173 174.995 176.300 -0.220 0.000 1.008 241 M CA -0.466 54.666 55.300 -0.280 0.000 0.937 241 M CB 2.072 34.494 32.600 -0.297 0.000 1.600 241 M HN 0.488 nan 8.290 nan 0.000 0.450 242 R N 4.265 124.605 120.500 -0.267 0.000 2.480 242 R HA 0.733 5.075 4.340 0.003 0.000 0.306 242 R C -1.566 174.528 176.300 -0.343 0.000 0.958 242 R CA -0.610 55.331 56.100 -0.264 0.000 0.861 242 R CB 1.390 31.551 30.300 -0.231 0.000 1.171 242 R HN 0.540 nan 8.270 nan 0.000 0.445 243 L N 3.412 124.433 121.223 -0.337 0.000 2.333 243 L HA 0.510 4.852 4.340 0.003 0.000 0.269 243 L C -0.727 175.965 176.870 -0.297 0.000 1.010 243 L CA -0.796 53.886 54.840 -0.265 0.000 0.818 243 L CB 1.251 43.286 42.059 -0.041 0.000 1.306 243 L HN 0.696 nan 8.230 nan 0.000 0.430 244 W N 1.256 122.579 121.300 0.037 0.000 2.291 244 W HA 0.473 5.135 4.660 0.003 0.000 0.312 244 W C 0.659 177.310 176.519 0.220 0.000 1.061 244 W CA -0.565 56.783 57.345 0.005 0.000 1.296 244 W CB 1.728 30.955 29.460 -0.388 0.000 1.223 244 W HN 0.590 nan 8.180 nan 0.000 0.421 245 S N 2.464 118.519 115.700 0.592 0.000 2.601 245 S HA 0.830 5.302 4.470 0.003 0.000 0.271 245 S C -0.060 174.908 174.600 0.614 0.000 1.305 245 S CA -0.891 57.597 58.200 0.481 0.000 1.022 245 S CB 1.607 65.046 63.200 0.398 0.000 0.940 245 S HN 0.528 nan 8.310 nan 0.000 0.525 246 A N 1.936 124.943 122.820 0.312 0.000 2.325 246 A HA 0.788 5.110 4.320 0.003 0.000 0.333 246 A C -0.232 177.418 177.584 0.110 0.000 1.155 246 A CA -0.886 51.199 52.037 0.079 0.000 0.814 246 A CB 0.924 19.657 19.000 -0.444 0.000 1.206 246 A HN 0.850 nan 8.150 nan 0.000 0.482 247 K N 0.370 120.845 120.400 0.126 0.000 2.502 247 K HA 0.620 4.942 4.320 0.003 0.000 0.257 247 K C -0.872 175.805 176.600 0.129 0.000 0.938 247 K CA -0.665 55.695 56.287 0.121 0.000 0.819 247 K CB 2.548 35.140 32.500 0.152 0.000 1.333 247 K HN 0.843 nan 8.250 nan 0.000 0.434 248 A N 2.857 125.749 122.820 0.119 0.000 2.320 248 A HA 0.425 4.747 4.320 0.003 0.000 0.287 248 A C -2.351 175.450 177.584 0.361 0.000 1.181 248 A CA -1.454 50.721 52.037 0.229 0.000 0.831 248 A CB -0.191 18.854 19.000 0.075 0.000 1.102 248 A HN 0.299 nan 8.150 nan 0.000 0.513 249 P HA 0.028 nan 4.420 nan 0.000 0.263 249 P C -0.551 176.938 177.300 0.316 0.000 1.247 249 P CA 0.137 63.390 63.100 0.255 0.000 0.876 249 P CB 0.011 31.789 31.700 0.130 0.000 0.928 250 N N 3.265 122.130 118.700 0.274 0.000 2.420 250 N HA 0.068 4.810 4.740 0.003 0.000 0.249 250 N C -0.410 175.209 175.510 0.182 0.000 1.033 250 N CA -0.116 53.130 53.050 0.327 0.000 0.944 250 N CB 0.467 39.099 38.487 0.242 0.000 1.113 250 N HN 0.204 nan 8.380 nan 0.000 0.502 251 D N 2.423 122.919 120.400 0.159 0.000 2.497 251 D HA 0.138 4.780 4.640 0.003 0.000 0.256 251 D C -0.658 175.675 176.300 0.056 0.000 1.273 251 D CA -0.218 53.821 54.000 0.066 0.000 0.812 251 D CB 0.218 41.016 40.800 -0.004 0.000 1.190 251 D HN 0.380 nan 8.370 nan 0.000 0.524 252 F N 2.290 122.266 119.950 0.043 0.000 2.571 252 F HA 0.098 4.627 4.527 0.003 0.000 0.390 252 F C 1.605 177.424 175.800 0.031 0.000 1.043 252 F CA 1.000 59.024 58.000 0.039 0.000 1.164 252 F CB -0.083 38.938 39.000 0.035 0.000 1.049 252 F HN 0.172 nan 8.300 nan 0.000 0.552 253 N N 1.117 119.901 118.700 0.140 0.000 2.471 253 N HA -0.145 4.597 4.740 0.003 0.000 0.159 253 N C -0.312 175.211 175.510 0.023 0.000 1.660 253 N CA 0.566 53.664 53.050 0.081 0.000 3.283 253 N CB -0.875 37.654 38.487 0.070 0.000 1.504 253 N HN 0.517 nan 8.380 nan 0.000 1.129 254 L N -1.114 120.128 121.223 0.031 0.000 2.186 254 L HA 0.387 4.729 4.340 0.003 0.000 0.182 254 L C -0.539 176.427 176.870 0.160 0.000 1.190 254 L CA -0.319 54.543 54.840 0.036 0.000 1.051 254 L CB 0.306 42.403 42.059 0.065 0.000 2.162 254 L HN -0.016 nan 8.230 nan 0.000 0.494 255 K N 1.766 122.231 120.400 0.108 0.000 2.336 255 K HA 0.083 4.405 4.320 0.003 0.000 0.290 255 K C -0.463 176.156 176.600 0.030 0.000 1.067 255 K CA 0.915 57.262 56.287 0.100 0.000 0.962 255 K CB 0.793 33.310 32.500 0.029 0.000 1.008 255 K HN 0.324 nan 8.250 nan 0.000 0.467 256 D N 2.252 122.731 120.400 0.132 0.000 2.531 256 D HA -0.126 4.517 4.640 0.003 0.000 0.736 256 D C -0.739 175.679 176.300 0.196 0.000 0.322 256 D CA -0.046 53.990 54.000 0.060 0.000 1.172 256 D CB -0.452 40.357 40.800 0.015 0.000 1.504 256 D HN 0.282 nan 8.370 nan 0.000 0.340 257 F N 0.852 120.776 119.950 -0.042 0.000 2.749 257 F HA -0.125 4.404 4.527 0.003 0.000 0.340 257 F C 1.161 176.946 175.800 -0.026 0.000 0.932 257 F CA 0.648 58.633 58.000 -0.026 0.000 1.512 257 F CB -2.530 36.457 39.000 -0.020 0.000 1.718 257 F HN 0.302 nan 8.300 nan 0.000 0.567 258 N N 0.615 119.392 118.700 0.128 0.000 2.080 258 N HA 0.000 4.742 4.740 0.003 0.000 0.189 258 N C 0.942 176.475 175.510 0.039 0.000 1.036 258 N CA 1.988 55.066 53.050 0.047 0.000 0.846 258 N CB -0.183 38.304 38.487 -0.000 0.000 1.015 258 N HN 0.476 nan 8.380 nan 0.000 0.423 259 V N -5.824 114.103 119.914 0.020 0.000 3.105 259 V HA 0.886 5.008 4.120 0.003 0.000 0.311 259 V C 0.826 176.861 176.094 -0.098 0.000 1.282 259 V CA -0.133 62.165 62.300 -0.002 0.000 1.065 259 V CB 1.171 33.014 31.823 0.033 0.000 1.136 259 V HN 0.404 nan 8.190 nan 0.000 0.469 260 G N -1.901 106.841 108.800 -0.095 0.000 3.751 260 G HA2 0.270 4.232 3.960 0.003 0.000 0.216 260 G HA3 0.270 4.232 3.960 0.003 0.000 0.216 260 G C 0.575 175.430 174.900 -0.074 0.000 0.911 260 G CA 0.745 45.758 45.100 -0.145 0.000 0.869 260 G HN 1.488 nan 8.290 nan 0.000 0.462 261 G N -0.215 108.570 108.800 -0.026 0.000 2.529 261 G HA2 0.382 4.344 3.960 0.003 0.000 0.220 261 G HA3 0.382 4.344 3.960 0.003 0.000 0.220 261 G C -0.135 174.788 174.900 0.038 0.000 1.976 261 G CA -0.068 45.035 45.100 0.006 0.000 0.789 261 G HN 0.211 nan 8.290 nan 0.000 0.695 262 Y N 2.570 122.860 120.300 -0.016 0.000 2.595 262 Y HA 0.385 4.937 4.550 0.003 0.000 0.347 262 Y C 1.221 177.123 175.900 0.003 0.000 1.025 262 Y CA -1.827 56.269 58.100 -0.006 0.000 1.295 262 Y CB 0.230 38.687 38.460 -0.005 0.000 1.147 262 Y HN 0.321 nan 8.280 nan 0.000 0.515 263 I N 2.901 123.568 120.570 0.162 0.000 3.205 263 I HA 0.026 4.198 4.170 0.003 0.000 0.283 263 I C 0.849 177.076 176.117 0.184 0.000 1.157 263 I CA 0.283 61.669 61.300 0.144 0.000 1.675 263 I CB -0.356 37.687 38.000 0.071 0.000 1.241 263 I HN 0.601 nan 8.210 nan 0.000 0.669 264 Q N 1.116 121.073 119.800 0.262 0.000 2.329 264 Q HA 0.241 4.584 4.340 0.003 0.000 0.208 264 Q C 1.571 177.649 176.000 0.129 0.000 0.934 264 Q CA 0.474 56.387 55.803 0.184 0.000 0.951 264 Q CB 0.194 29.028 28.738 0.159 0.000 1.017 264 Q HN 0.686 nan 8.270 nan 0.000 0.490 265 A N 0.747 123.659 122.820 0.154 0.000 2.121 265 A HA -0.038 4.284 4.320 0.003 0.000 0.218 265 A C 2.092 179.848 177.584 0.287 0.000 1.154 265 A CA 0.672 52.826 52.037 0.195 0.000 0.679 265 A CB -0.454 18.663 19.000 0.196 0.000 0.795 265 A HN 0.290 nan 8.150 nan 0.000 0.458 266 V N 0.004 120.032 119.914 0.191 0.000 2.511 266 V HA -0.318 3.804 4.120 0.003 0.000 0.257 266 V C 2.397 178.506 176.094 0.026 0.000 1.088 266 V CA 2.144 64.484 62.300 0.068 0.000 1.098 266 V CB -0.747 31.103 31.823 0.045 0.000 0.674 266 V HN 0.645 nan 8.190 nan 0.000 0.470 267 L N -0.326 120.937 121.223 0.068 0.000 2.291 267 L HA -0.120 4.222 4.340 0.003 0.000 0.214 267 L C 2.221 179.128 176.870 0.062 0.000 1.120 267 L CA 1.462 56.328 54.840 0.043 0.000 0.799 267 L CB -0.513 41.569 42.059 0.038 0.000 0.925 267 L HN 0.375 nan 8.230 nan 0.000 0.446 268 D N 0.273 120.764 120.400 0.151 0.000 2.097 268 D HA -0.217 4.426 4.640 0.003 0.000 0.195 268 D C 2.293 178.671 176.300 0.131 0.000 0.989 268 D CA 1.067 55.188 54.000 0.202 0.000 0.827 268 D CB 0.054 41.081 40.800 0.378 0.000 0.966 268 D HN -0.072 nan 8.370 nan 0.000 0.456 269 R N 0.001 120.480 120.500 -0.035 0.000 2.204 269 R HA -0.143 4.199 4.340 0.003 0.000 0.253 269 R C 1.352 177.567 176.300 -0.141 0.000 1.172 269 R CA 1.088 56.980 56.100 -0.346 0.000 0.994 269 R CB -0.364 29.560 30.300 -0.627 0.000 0.874 269 R HN 0.456 nan 8.270 nan 0.000 0.462 270 N N -0.167 118.498 118.700 -0.058 0.000 2.294 270 N HA 0.030 4.772 4.740 0.003 0.000 0.186 270 N C 0.974 176.484 175.510 -0.001 0.000 1.107 270 N CA 0.096 53.130 53.050 -0.027 0.000 0.884 270 N CB 0.557 39.032 38.487 -0.021 0.000 1.030 270 N HN 0.135 nan 8.380 nan 0.000 0.482 271 L N -0.670 120.560 121.223 0.012 0.000 2.685 271 L HA 0.473 4.815 4.340 0.003 0.000 0.233 271 L C 1.384 178.247 176.870 -0.011 0.000 1.173 271 L CA -0.221 54.620 54.840 0.003 0.000 0.961 271 L CB 0.087 42.148 42.059 0.003 0.000 1.217 271 L HN -0.110 nan 8.230 nan 0.000 0.478 272 A N 0.851 123.679 122.820 0.013 0.000 3.280 272 A HA 0.111 4.433 4.320 0.003 0.000 0.203 272 A C 1.809 179.370 177.584 -0.038 0.000 2.143 272 A CA 0.437 52.476 52.037 0.003 0.000 1.168 272 A CB -0.555 18.488 19.000 0.072 0.000 1.267 272 A HN 0.259 nan 8.150 nan 0.000 0.436 273 E N 0.666 120.858 120.200 -0.015 0.000 2.276 273 E HA -0.349 4.003 4.350 0.003 0.000 0.226 273 E C 1.446 178.058 176.600 0.020 0.000 1.090 273 E CA 2.231 58.632 56.400 0.002 0.000 0.930 273 E CB -0.697 29.015 29.700 0.019 0.000 0.791 273 E HN 0.838 nan 8.360 nan 0.000 0.467 274 N N 0.293 119.010 118.700 0.028 0.000 2.609 274 N HA -0.088 4.655 4.740 0.003 0.000 0.190 274 N C 1.508 177.068 175.510 0.084 0.000 1.157 274 N CA 0.282 53.370 53.050 0.064 0.000 0.918 274 N CB -0.086 38.435 38.487 0.057 0.000 0.978 274 N HN 0.201 nan 8.380 nan 0.000 0.448 275 I N -0.569 120.010 120.570 0.015 0.000 2.353 275 I HA -0.134 4.038 4.170 0.003 0.000 0.248 275 I C 2.022 178.143 176.117 0.007 0.000 1.119 275 I CA 0.750 62.042 61.300 -0.015 0.000 1.417 275 I CB -0.095 37.785 38.000 -0.200 0.000 1.078 275 I HN 0.286 nan 8.210 nan 0.000 0.421 276 S N -0.046 115.651 115.700 -0.004 0.000 2.556 276 S HA 0.159 4.631 4.470 0.003 0.000 0.216 276 S C 1.751 176.427 174.600 0.127 0.000 0.970 276 S CA -0.039 58.179 58.200 0.029 0.000 0.912 276 S CB -0.072 63.156 63.200 0.047 0.000 0.790 276 S HN 0.288 nan 8.310 nan 0.000 0.504 277 R N -0.312 120.310 120.500 0.203 0.000 2.189 277 R HA 0.345 4.687 4.340 0.003 0.000 0.203 277 R C 0.059 176.616 176.300 0.428 0.000 1.012 277 R CA 0.370 56.688 56.100 0.362 0.000 1.015 277 R CB 0.610 31.077 30.300 0.278 0.000 0.938 277 R HN 0.286 nan 8.270 nan 0.000 0.472 278 V N 0.303 120.392 119.914 0.291 0.000 3.178 278 V HA 0.321 4.443 4.120 0.003 0.000 0.302 278 V C -1.225 174.837 176.094 -0.053 0.000 1.262 278 V CA -0.968 61.410 62.300 0.130 0.000 1.030 278 V CB 2.342 34.128 31.823 -0.062 0.000 1.074 278 V HN 0.003 nan 8.190 nan 0.000 0.438 279 L N 2.955 123.987 121.223 -0.319 0.000 2.469 279 L HA 0.596 4.938 4.340 0.003 0.000 0.253 279 L C -1.479 175.083 176.870 -0.514 0.000 1.143 279 L CA -0.597 53.973 54.840 -0.451 0.000 0.804 279 L CB 1.459 43.182 42.059 -0.559 0.000 1.214 279 L HN 0.758 nan 8.230 nan 0.000 0.476 280 Y N 0.526 120.859 120.300 0.055 0.000 2.344 280 Y HA 0.343 4.896 4.550 0.003 0.000 0.328 280 Y C -1.743 174.190 175.900 0.055 0.000 1.067 280 Y CA -2.148 56.000 58.100 0.081 0.000 1.247 280 Y CB 0.455 38.978 38.460 0.105 0.000 1.113 280 Y HN 0.467 nan 8.280 nan 0.000 0.465 288 G N 0.559 109.309 108.800 -0.084 0.000 2.444 288 G HA2 0.263 4.225 3.960 0.003 0.000 0.289 288 G HA3 0.263 4.225 3.960 0.003 0.000 0.289 288 G C -0.462 174.474 174.900 0.060 0.000 0.814 288 G CA 0.818 45.922 45.100 0.006 0.000 1.820 288 G HN 0.477 nan 8.290 nan 0.000 0.453 289 K N 1.704 122.202 120.400 0.164 0.000 2.587 289 K HA 0.104 4.426 4.320 0.003 0.000 0.256 289 K C 0.698 177.375 176.600 0.128 0.000 0.974 289 K CA -0.674 55.664 56.287 0.085 0.000 0.855 289 K CB 1.339 33.813 32.500 -0.042 0.000 1.292 289 K HN 0.315 nan 8.250 nan 0.000 0.444 290 E N 3.522 123.746 120.200 0.040 0.000 2.160 290 E HA -0.191 4.161 4.350 0.003 0.000 0.195 290 E C 1.357 177.891 176.600 -0.109 0.000 0.991 290 E CA 1.154 57.521 56.400 -0.054 0.000 0.810 290 E CB 0.187 29.863 29.700 -0.041 0.000 0.742 290 E HN 0.669 nan 8.360 nan 0.000 0.466 291 L N 0.557 121.742 121.223 -0.064 0.000 2.191 291 L HA -0.156 4.186 4.340 0.003 0.000 0.212 291 L C 2.651 179.531 176.870 0.018 0.000 1.103 291 L CA 0.871 55.682 54.840 -0.048 0.000 0.769 291 L CB -0.101 41.959 42.059 0.003 0.000 0.908 291 L HN 0.071 nan 8.230 nan 0.000 0.438 292 R N -0.362 120.167 120.500 0.048 0.000 2.066 292 R HA -0.158 4.184 4.340 0.003 0.000 0.232 292 R C 2.145 178.485 176.300 0.067 0.000 1.131 292 R CA 1.590 57.808 56.100 0.196 0.000 0.955 292 R CB -0.667 29.847 30.300 0.356 0.000 0.851 292 R HN 0.331 nan 8.270 nan 0.000 0.432 293 L N 1.511 122.512 121.223 -0.370 0.000 2.362 293 L HA -0.094 4.248 4.340 0.003 0.000 0.219 293 L C 1.595 178.328 176.870 -0.228 0.000 1.134 293 L CA 1.629 56.037 54.840 -0.720 0.000 0.807 293 L CB -0.024 41.242 42.059 -1.321 0.000 0.927 293 L HN -0.006 nan 8.230 nan 0.000 0.447 294 K N -1.300 119.025 120.400 -0.125 0.000 2.137 294 K HA -0.067 4.256 4.320 0.003 0.000 0.202 294 K C 2.066 178.825 176.600 0.266 0.000 1.052 294 K CA 0.937 57.216 56.287 -0.013 0.000 0.961 294 K CB -0.133 32.075 32.500 -0.486 0.000 0.741 294 K HN 0.349 nan 8.250 nan 0.000 0.452 295 Q N 1.139 121.048 119.800 0.181 0.000 2.061 295 Q HA -0.243 4.099 4.340 0.003 0.000 0.204 295 Q C 1.956 178.148 176.000 0.321 0.000 0.984 295 Q CA 1.677 57.654 55.803 0.290 0.000 0.846 295 Q CB 0.079 28.996 28.738 0.299 0.000 0.902 295 Q HN 0.216 nan 8.270 nan 0.000 0.421 296 E N -0.440 119.901 120.200 0.235 0.000 2.035 296 E HA -0.264 4.088 4.350 0.003 0.000 0.204 296 E C 1.695 178.398 176.600 0.172 0.000 1.025 296 E CA 1.810 58.331 56.400 0.201 0.000 0.835 296 E CB -0.395 29.372 29.700 0.113 0.000 0.764 296 E HN 0.391 nan 8.360 nan 0.000 0.457 297 Y N -0.379 119.960 120.300 0.065 0.000 2.165 297 Y HA -0.244 4.308 4.550 0.003 0.000 0.286 297 Y C 2.041 177.977 175.900 0.060 0.000 1.155 297 Y CA 1.926 60.042 58.100 0.026 0.000 1.164 297 Y CB -0.551 37.950 38.460 0.070 0.000 0.978 297 Y HN 0.249 nan 8.280 nan 0.000 0.513 298 F N -0.723 119.260 119.950 0.055 0.000 2.102 298 F HA -0.182 4.347 4.527 0.003 0.000 0.298 298 F C 2.378 178.037 175.800 -0.235 0.000 1.105 298 F CA 1.643 59.598 58.000 -0.074 0.000 1.239 298 F CB -1.111 37.975 39.000 0.144 0.000 0.991 298 F HN -0.103 nan 8.300 nan 0.000 0.474 299 V N -0.286 119.533 119.914 -0.158 0.000 2.332 299 V HA -0.261 3.861 4.120 0.003 0.000 0.248 299 V C 2.370 178.276 176.094 -0.312 0.000 1.055 299 V CA 1.974 64.162 62.300 -0.187 0.000 1.038 299 V CB -0.437 31.448 31.823 0.103 0.000 0.651 299 V HN 0.286 nan 8.190 nan 0.000 0.450 300 V N 0.015 119.739 119.914 -0.317 0.000 2.295 300 V HA -0.249 3.873 4.120 0.003 0.000 0.246 300 V C 2.633 178.397 176.094 -0.551 0.000 1.049 300 V CA 2.241 64.306 62.300 -0.392 0.000 1.024 300 V CB -0.976 30.620 31.823 -0.379 0.000 0.648 300 V HN 0.643 nan 8.190 nan 0.000 0.447 301 A N -0.250 122.106 122.820 -0.774 0.000 1.840 301 A HA -0.036 4.286 4.320 0.003 0.000 0.214 301 A C 2.434 179.630 177.584 -0.647 0.000 1.198 301 A CA 1.908 53.514 52.037 -0.719 0.000 0.608 301 A CB -1.026 17.526 19.000 -0.747 0.000 0.839 301 A HN 0.553 nan 8.150 nan 0.000 0.443 302 A N -1.404 120.879 122.820 -0.896 0.000 1.908 302 A HA -0.136 4.186 4.320 0.003 0.000 0.218 302 A C 2.340 179.360 177.584 -0.940 0.000 1.181 302 A CA 2.501 53.830 52.037 -1.180 0.000 0.627 302 A CB -1.328 16.286 19.000 -2.310 0.000 0.818 302 A HN 0.433 nan 8.150 nan 0.000 0.445 303 T N -0.470 113.604 114.554 -0.801 0.000 2.737 303 T HA -0.059 4.293 4.350 0.003 0.000 0.265 303 T C 1.637 176.045 174.700 -0.487 0.000 1.038 303 T CA 1.365 63.130 62.100 -0.558 0.000 1.144 303 T CB -0.267 68.324 68.868 -0.462 0.000 0.866 303 T HN 0.195 nan 8.240 nan 0.000 0.434 304 L N 1.398 122.393 121.223 -0.380 0.000 2.456 304 L HA 0.084 4.426 4.340 0.003 0.000 0.224 304 L C 2.143 178.886 176.870 -0.211 0.000 1.148 304 L CA 1.458 56.141 54.840 -0.262 0.000 0.825 304 L CB -0.629 41.302 42.059 -0.213 0.000 0.937 304 L HN 0.346 nan 8.230 nan 0.000 0.450 305 Q N -1.682 117.976 119.800 -0.237 0.000 2.403 305 Q HA -0.069 4.273 4.340 0.003 0.000 0.203 305 Q C 0.875 176.822 176.000 -0.088 0.000 0.932 305 Q CA 0.451 56.161 55.803 -0.155 0.000 0.945 305 Q CB 0.265 28.894 28.738 -0.182 0.000 1.045 305 Q HN 0.378 nan 8.270 nan 0.000 0.511 306 D N 0.228 120.559 120.400 -0.115 0.000 2.338 306 D HA 0.080 4.722 4.640 0.003 0.000 0.208 306 D C 1.452 177.717 176.300 -0.059 0.000 0.997 306 D CA 0.384 54.368 54.000 -0.026 0.000 0.880 306 D CB 0.396 41.211 40.800 0.026 0.000 0.980 306 D HN 0.138 nan 8.370 nan 0.000 0.509 307 I N 0.121 120.596 120.570 -0.159 0.000 2.439 307 I HA -0.118 4.054 4.170 0.003 0.000 0.251 307 I C 1.889 178.139 176.117 0.221 0.000 1.139 307 I CA 0.623 61.871 61.300 -0.087 0.000 1.438 307 I CB 0.146 38.023 38.000 -0.206 0.000 1.085 307 I HN 0.003 nan 8.210 nan 0.000 0.427 308 I N 0.193 120.849 120.570 0.143 0.000 2.296 308 I HA -0.171 4.001 4.170 0.003 0.000 0.242 308 I C 2.614 178.866 176.117 0.225 0.000 1.087 308 I CA 0.830 62.261 61.300 0.219 0.000 1.393 308 I CB -0.201 37.822 38.000 0.037 0.000 1.093 308 I HN 0.004 nan 8.210 nan 0.000 0.421 309 R N 0.201 120.772 120.500 0.117 0.000 2.185 309 R HA -0.250 4.092 4.340 0.003 0.000 0.247 309 R C 2.305 178.662 176.300 0.095 0.000 1.159 309 R CA 1.596 57.750 56.100 0.090 0.000 0.988 309 R CB -0.163 30.177 30.300 0.067 0.000 0.871 309 R HN 0.267 nan 8.270 nan 0.000 0.458 310 R N -0.834 119.748 120.500 0.137 0.000 2.048 310 R HA -0.075 4.267 4.340 0.003 0.000 0.224 310 R C 1.992 178.368 176.300 0.126 0.000 1.163 310 R CA 1.274 57.451 56.100 0.128 0.000 0.956 310 R CB -0.450 29.953 30.300 0.171 0.000 0.849 310 R HN 0.126 nan 8.270 nan 0.000 0.435 311 F N 2.049 122.035 119.950 0.060 0.000 2.176 311 F HA -0.271 4.258 4.527 0.004 0.000 0.301 311 F C 1.213 176.949 175.800 -0.106 0.000 1.071 311 F CA 1.651 59.619 58.000 -0.053 0.000 1.289 311 F CB 0.052 39.161 39.000 0.182 0.000 1.028 311 F HN -0.020 nan 8.300 nan 0.000 0.494 312 K N -0.113 120.240 120.400 -0.079 0.000 2.558 312 K HA 0.010 4.332 4.320 0.003 0.000 0.191 312 K C 2.184 178.774 176.600 -0.017 0.000 1.085 312 K CA 0.872 57.123 56.287 -0.059 0.000 1.163 312 K CB -0.776 31.755 32.500 0.052 0.000 1.559 312 K HN 0.154 nan 8.250 nan 0.000 0.466 313 S N 1.169 116.865 115.700 -0.008 0.000 2.420 313 S HA -0.090 4.382 4.470 0.003 0.000 0.237 313 S C 1.136 175.675 174.600 -0.103 0.000 1.023 313 S CA 0.735 58.913 58.200 -0.036 0.000 0.991 313 S CB -0.327 62.857 63.200 -0.026 0.000 0.792 313 S HN 0.123 nan 8.310 nan 0.000 0.488 314 S N 2.661 118.294 115.700 -0.111 0.000 2.686 314 S HA 0.267 4.739 4.470 0.003 0.000 0.324 314 S C 0.783 175.231 174.600 -0.254 0.000 1.172 314 S CA 0.110 58.161 58.200 -0.247 0.000 1.127 314 S CB -0.039 63.098 63.200 -0.105 0.000 1.338 314 S HN 0.668 nan 8.310 nan 0.000 0.547 315 K N 2.245 122.379 120.400 -0.442 0.000 6.581 315 K HA -0.330 3.992 4.320 0.003 0.000 0.456 315 K C 0.929 177.514 176.600 -0.025 0.000 0.402 315 K CA 2.061 58.214 56.287 -0.223 0.000 1.893 315 K CB -1.544 30.886 32.500 -0.117 0.000 0.843 315 K HN 0.541 nan 8.250 nan 0.000 0.751 316 F N 1.858 121.694 119.950 -0.190 0.000 2.641 316 F HA 0.137 4.666 4.527 0.004 0.000 0.298 316 F C 1.934 177.600 175.800 -0.223 0.000 1.146 316 F CA 1.590 59.458 58.000 -0.219 0.000 1.464 316 F CB -0.333 38.475 39.000 -0.319 0.000 1.101 316 F HN 0.361 nan 8.300 nan 0.000 0.585 317 G N 0.115 108.917 108.800 0.003 0.000 2.545 317 G HA2 -0.346 3.616 3.960 0.003 0.000 0.222 317 G HA3 -0.346 3.616 3.960 0.003 0.000 0.222 317 G C 1.415 176.272 174.900 -0.072 0.000 1.126 317 G CA 1.344 46.428 45.100 -0.025 0.000 0.754 317 G HN 0.477 nan 8.290 nan 0.000 0.583 318 C N -1.042 118.194 119.300 -0.107 0.000 8.332 318 C HA 0.360 4.822 4.460 0.003 0.000 0.238 318 C C 1.756 176.575 174.990 -0.285 0.000 1.586 318 C CA -0.699 58.232 59.018 -0.145 0.000 1.936 318 C CB -0.874 26.799 27.740 -0.111 0.000 1.747 318 C HN 0.433 nan 8.230 nan 0.000 0.229 319 R N 2.129 122.383 120.500 -0.410 0.000 1.232 319 R HA -0.208 4.134 4.340 0.003 0.000 0.171 319 R C 0.808 176.695 176.300 -0.690 0.000 0.466 319 R CA 0.643 56.360 56.100 -0.639 0.000 0.275 319 R CB -1.137 28.528 30.300 -1.059 0.000 1.664 319 R HN 0.739 nan 8.270 nan 0.000 0.583 320 D N 0.891 121.079 120.400 -0.352 0.000 2.103 320 D HA -0.044 4.598 4.640 0.003 0.000 0.199 320 D C -1.084 175.111 176.300 -0.175 0.000 0.978 320 D CA 0.263 54.126 54.000 -0.228 0.000 0.829 320 D CB -0.478 40.241 40.800 -0.136 0.000 0.981 320 D HN 0.203 nan 8.370 nan 0.000 0.464 321 P HA -0.200 nan 4.420 nan 0.000 0.156 321 P C -0.376 176.901 177.300 -0.038 0.000 1.148 321 P CA 0.789 63.841 63.100 -0.079 0.000 0.860 321 P CB -0.220 31.434 31.700 -0.076 0.000 1.273 322 V N -0.940 118.953 119.914 -0.034 0.000 5.560 322 V HA 0.038 4.160 4.120 0.003 0.000 0.292 322 V C -0.012 176.074 176.094 -0.014 0.000 1.065 322 V CA -0.230 62.066 62.300 -0.007 0.000 1.707 322 V CB -0.369 31.464 31.823 0.017 0.000 0.177 322 V HN 0.356 nan 8.190 nan 0.000 0.444 323 R N 2.650 123.139 120.500 -0.019 0.000 3.225 323 R HA -0.191 4.151 4.340 0.003 0.000 0.245 323 R C 0.269 176.529 176.300 -0.067 0.000 0.928 323 R CA 1.228 57.318 56.100 -0.018 0.000 0.632 323 R CB -3.201 27.114 30.300 0.024 0.000 1.038 323 R HN 1.880 nan 8.270 nan 0.000 0.461 324 T N -1.346 113.156 114.554 -0.088 0.000 3.398 324 T HA -0.264 4.088 4.350 0.003 0.000 0.408 324 T C 0.475 175.029 174.700 -0.244 0.000 0.769 324 T CA 1.148 63.192 62.100 -0.093 0.000 2.018 324 T CB -1.144 67.680 68.868 -0.074 0.000 1.703 324 T HN 0.688 nan 8.240 nan 0.000 0.639 325 N N 0.052 118.660 118.700 -0.153 0.000 2.453 325 N HA 0.151 4.894 4.740 0.003 0.000 0.253 325 N C 0.598 175.988 175.510 -0.201 0.000 1.252 325 N CA -0.148 52.739 53.050 -0.272 0.000 0.917 325 N CB 0.265 38.746 38.487 -0.009 0.000 1.117 325 N HN 0.299 nan 8.380 nan 0.000 0.442 326 F N 0.519 120.586 119.950 0.194 0.000 2.693 326 F HA 0.099 4.628 4.527 0.003 0.000 0.303 326 F C 1.809 177.685 175.800 0.126 0.000 1.143 326 F CA -0.413 57.582 58.000 -0.009 0.000 1.389 326 F CB -0.098 38.689 39.000 -0.355 0.000 1.060 326 F HN 0.424 nan 8.300 nan 0.000 0.535 327 D N 1.102 121.628 120.400 0.211 0.000 2.097 327 D HA -0.141 4.501 4.640 0.003 0.000 0.195 327 D C 2.229 178.648 176.300 0.199 0.000 0.989 327 D CA 1.489 55.599 54.000 0.183 0.000 0.827 327 D CB 0.041 40.928 40.800 0.145 0.000 0.966 327 D HN 0.268 nan 8.370 nan 0.000 0.456 328 A N -0.845 122.132 122.820 0.261 0.000 2.275 328 A HA 0.053 4.375 4.320 0.003 0.000 0.212 328 A C 1.679 179.415 177.584 0.254 0.000 1.201 328 A CA -0.209 51.986 52.037 0.264 0.000 0.843 328 A CB -0.503 18.707 19.000 0.350 0.000 0.873 328 A HN 0.187 nan 8.150 nan 0.000 0.492 329 F N 2.509 122.461 119.950 0.003 0.000 2.031 329 F HA -0.076 4.453 4.527 0.004 0.000 0.295 329 F C -0.575 175.154 175.800 -0.118 0.000 1.133 329 F CA 2.053 59.873 58.000 -0.301 0.000 1.188 329 F CB -0.822 37.864 39.000 -0.524 0.000 0.974 329 F HN 0.177 nan 8.300 nan 0.000 0.473 330 P HA -0.148 nan 4.420 nan 0.000 0.223 330 P C 0.511 177.762 177.300 -0.081 0.000 1.144 330 P CA 1.764 64.786 63.100 -0.130 0.000 0.783 330 P CB -0.199 31.504 31.700 0.004 0.000 0.771 331 D N 0.265 120.650 120.400 -0.025 0.000 2.197 331 D HA -0.027 4.616 4.640 0.003 0.000 0.212 331 D C 1.411 177.703 176.300 -0.013 0.000 0.963 331 D CA 0.817 54.821 54.000 0.006 0.000 0.864 331 D CB -0.229 40.601 40.800 0.050 0.000 1.009 331 D HN 0.248 nan 8.370 nan 0.000 0.479 332 K N 0.593 120.988 120.400 -0.009 0.000 2.596 332 K HA 0.277 4.599 4.320 0.003 0.000 0.211 332 K C -0.751 175.771 176.600 -0.130 0.000 1.046 332 K CA -0.046 56.230 56.287 -0.017 0.000 1.202 332 K CB 0.766 33.324 32.500 0.096 0.000 0.925 332 K HN -0.126 nan 8.250 nan 0.000 0.486 333 V N -0.309 119.439 119.914 -0.276 0.000 3.106 333 V HA 0.529 4.651 4.120 0.003 0.000 0.280 333 V C -1.841 174.058 176.094 -0.326 0.000 1.525 333 V CA -1.002 61.084 62.300 -0.358 0.000 0.999 333 V CB 2.121 33.612 31.823 -0.553 0.000 1.186 333 V HN 0.141 nan 8.190 nan 0.000 0.448 334 A N 4.327 127.009 122.820 -0.230 0.000 2.589 334 A HA 0.960 5.282 4.320 0.003 0.000 0.296 334 A C -1.736 175.793 177.584 -0.092 0.000 1.062 334 A CA -0.429 51.538 52.037 -0.116 0.000 0.686 334 A CB 1.715 20.713 19.000 -0.004 0.000 1.282 334 A HN 0.745 nan 8.150 nan 0.000 0.404 335 I N 1.242 121.807 120.570 -0.008 0.000 2.533 335 I HA 0.419 4.591 4.170 0.003 0.000 0.290 335 I C -0.680 175.458 176.117 0.036 0.000 1.056 335 I CA -0.597 60.734 61.300 0.052 0.000 1.057 335 I CB 2.167 40.217 38.000 0.083 0.000 1.240 335 I HN 0.590 nan 8.210 nan 0.000 0.423 336 Q N 4.849 124.665 119.800 0.027 0.000 2.337 336 Q HA 0.500 4.842 4.340 0.003 0.000 0.266 336 Q C -1.533 174.495 176.000 0.046 0.000 1.023 336 Q CA -1.044 54.833 55.803 0.123 0.000 0.829 336 Q CB 2.831 31.729 28.738 0.266 0.000 1.306 336 Q HN 0.431 nan 8.270 nan 0.000 0.449 337 L N 3.536 124.834 121.223 0.125 0.000 2.272 337 L HA 0.285 4.627 4.340 0.003 0.000 0.284 337 L C -0.024 176.939 176.870 0.155 0.000 1.045 337 L CA -0.233 54.672 54.840 0.108 0.000 0.842 337 L CB 0.466 42.605 42.059 0.134 0.000 1.224 337 L HN 0.454 nan 8.230 nan 0.000 0.430 338 N N 4.065 122.773 118.700 0.012 0.000 2.448 338 N HA 0.143 4.885 4.740 0.003 0.000 0.250 338 N C -0.302 175.230 175.510 0.037 0.000 1.136 338 N CA 0.386 53.486 53.050 0.084 0.000 0.953 338 N CB 0.145 38.559 38.487 -0.121 0.000 1.251 338 N HN 0.590 nan 8.380 nan 0.000 0.502 339 D N 0.339 120.888 120.400 0.247 0.000 10.640 339 D HA -0.202 4.440 4.640 0.003 0.000 0.360 339 D C -0.236 176.150 176.300 0.144 0.000 3.073 339 D CA 1.062 55.181 54.000 0.197 0.000 2.519 339 D CB -0.208 40.450 40.800 -0.236 0.000 1.179 339 D HN 0.526 nan 8.370 nan 0.000 0.978 340 T N -0.733 113.944 114.554 0.204 0.000 3.496 340 T HA 0.049 4.401 4.350 0.003 0.000 0.253 340 T C 1.223 176.102 174.700 0.298 0.000 1.134 340 T CA 0.952 63.153 62.100 0.168 0.000 0.993 340 T CB -0.766 68.197 68.868 0.159 0.000 1.018 340 T HN 0.445 nan 8.240 nan 0.000 0.571 341 H N 0.922 120.079 119.070 0.144 0.000 2.551 341 H HA 0.161 4.719 4.556 0.003 0.000 0.271 341 H C -1.733 173.682 175.328 0.146 0.000 0.984 341 H CA -1.108 55.046 56.048 0.177 0.000 1.164 341 H CB 0.109 29.977 29.762 0.177 0.000 1.437 341 H HN 0.431 nan 8.280 nan 0.000 0.550 342 P HA 0.121 nan 4.420 nan 0.000 0.318 342 P C 0.738 178.069 177.300 0.051 0.000 1.768 342 P CA 0.041 63.203 63.100 0.103 0.000 1.403 342 P CB 0.775 32.521 31.700 0.077 0.000 1.750 343 S N -0.484 115.256 115.700 0.066 0.000 2.469 343 S HA -0.094 4.378 4.470 0.003 0.000 0.238 343 S C 1.640 176.250 174.600 0.016 0.000 0.998 343 S CA 0.787 58.991 58.200 0.007 0.000 0.957 343 S CB -1.145 62.064 63.200 0.015 0.000 0.764 343 S HN 0.172 nan 8.310 nan 0.000 0.514 344 L N 0.820 122.059 121.223 0.027 0.000 2.376 344 L HA 0.092 4.434 4.340 0.003 0.000 0.219 344 L C 2.881 179.748 176.870 -0.005 0.000 1.133 344 L CA 0.768 55.612 54.840 0.007 0.000 0.816 344 L CB -0.762 41.294 42.059 -0.005 0.000 0.933 344 L HN 0.453 nan 8.230 nan 0.000 0.449 345 A N 0.361 123.163 122.820 -0.030 0.000 2.125 345 A HA -0.111 4.211 4.320 0.003 0.000 0.219 345 A C 2.080 179.660 177.584 -0.006 0.000 1.156 345 A CA 0.970 52.981 52.037 -0.044 0.000 0.671 345 A CB -0.396 18.568 19.000 -0.060 0.000 0.794 345 A HN 0.338 nan 8.150 nan 0.000 0.459 346 I N 0.554 121.132 120.570 0.014 0.000 2.087 346 I HA -0.113 4.059 4.170 0.003 0.000 0.231 346 I C -0.248 175.926 176.117 0.094 0.000 1.058 346 I CA 1.175 62.501 61.300 0.042 0.000 1.328 346 I CB -1.256 36.773 38.000 0.047 0.000 1.079 346 I HN 0.155 nan 8.210 nan 0.000 0.397 347 P HA -0.215 nan 4.420 nan 0.000 0.219 347 P C 1.244 178.682 177.300 0.230 0.000 1.146 347 P CA 1.744 64.959 63.100 0.191 0.000 0.808 347 P CB -0.022 31.819 31.700 0.235 0.000 0.779 348 E N 0.264 120.622 120.200 0.264 0.000 2.047 348 E HA -0.163 4.189 4.350 0.003 0.000 0.191 348 E C 1.996 178.635 176.600 0.065 0.000 0.987 348 E CA 0.763 57.345 56.400 0.302 0.000 0.799 348 E CB -1.259 28.537 29.700 0.159 0.000 0.752 348 E HN 0.043 nan 8.360 nan 0.000 0.449 349 L N -0.067 121.154 121.223 -0.002 0.000 2.046 349 L HA -0.108 4.234 4.340 0.003 0.000 0.208 349 L C 2.185 178.988 176.870 -0.111 0.000 1.077 349 L CA 1.692 56.488 54.840 -0.074 0.000 0.747 349 L CB -0.451 41.576 42.059 -0.054 0.000 0.896 349 L HN 0.252 nan 8.230 nan 0.000 0.432 350 M N -0.861 118.691 119.600 -0.080 0.000 2.149 350 M HA -0.219 4.263 4.480 0.003 0.000 0.261 350 M C 2.399 178.604 176.300 -0.158 0.000 1.064 350 M CA 1.567 56.767 55.300 -0.167 0.000 1.102 350 M CB -1.202 31.295 32.600 -0.172 0.000 1.369 350 M HN 0.363 nan 8.290 nan 0.000 0.408 351 R N 0.376 120.817 120.500 -0.097 0.000 2.061 351 R HA -0.104 4.238 4.340 0.003 0.000 0.230 351 R C 1.987 178.230 176.300 -0.094 0.000 1.140 351 R CA 1.720 57.757 56.100 -0.105 0.000 0.940 351 R CB -0.278 29.911 30.300 -0.184 0.000 0.839 351 R HN 0.229 nan 8.270 nan 0.000 0.429 352 V N 1.872 121.728 119.914 -0.097 0.000 2.469 352 V HA -0.235 3.887 4.120 0.003 0.000 0.251 352 V C 2.423 178.390 176.094 -0.212 0.000 1.064 352 V CA 1.528 63.752 62.300 -0.128 0.000 1.066 352 V CB -0.468 31.264 31.823 -0.152 0.000 0.667 352 V HN 0.334 nan 8.190 nan 0.000 0.461 353 L N -0.769 120.291 121.223 -0.273 0.000 2.095 353 L HA -0.036 4.306 4.340 0.003 0.000 0.204 353 L C 2.423 179.180 176.870 -0.187 0.000 1.080 353 L CA 0.893 55.525 54.840 -0.346 0.000 0.759 353 L CB -0.496 41.323 42.059 -0.399 0.000 0.914 353 L HN 0.196 nan 8.230 nan 0.000 0.439 354 V N -0.242 119.587 119.914 -0.141 0.000 2.331 354 V HA -0.175 3.947 4.120 0.003 0.000 0.242 354 V C 2.014 178.101 176.094 -0.011 0.000 1.034 354 V CA 1.570 63.835 62.300 -0.058 0.000 1.027 354 V CB -0.356 31.436 31.823 -0.052 0.000 0.667 354 V HN 0.353 nan 8.190 nan 0.000 0.457 355 D N 0.335 120.726 120.400 -0.015 0.000 2.083 355 D HA -0.104 4.538 4.640 0.003 0.000 0.199 355 D C 2.023 178.321 176.300 -0.004 0.000 0.980 355 D CA 1.117 55.118 54.000 0.002 0.000 0.851 355 D CB -0.602 40.202 40.800 0.007 0.000 0.997 355 D HN 0.156 nan 8.370 nan 0.000 0.449 356 L N 1.009 122.221 121.223 -0.018 0.000 1.989 356 L HA -0.161 4.181 4.340 0.003 0.000 0.211 356 L C 2.296 179.162 176.870 -0.005 0.000 1.071 356 L CA 1.627 56.459 54.840 -0.012 0.000 0.749 356 L CB -0.462 41.581 42.059 -0.027 0.000 0.890 356 L HN 0.009 nan 8.230 nan 0.000 0.431 357 E N -0.787 119.395 120.200 -0.030 0.000 2.012 357 E HA -0.063 4.289 4.350 0.003 0.000 0.192 357 E C 1.084 177.712 176.600 0.048 0.000 0.977 357 E CA 0.746 57.164 56.400 0.029 0.000 0.832 357 E CB 0.090 29.785 29.700 -0.008 0.000 0.790 357 E HN 0.157 nan 8.360 nan 0.000 0.466 358 R N -1.350 119.171 120.500 0.035 0.000 2.172 358 R HA 0.005 4.347 4.340 0.003 0.000 0.316 358 R C -0.704 175.633 176.300 0.061 0.000 0.426 358 R CA 0.098 56.227 56.100 0.048 0.000 1.132 358 R CB -1.614 28.721 30.300 0.059 0.000 1.542 358 R HN 0.125 nan 8.270 nan 0.000 0.482 359 L N 0.177 121.436 121.223 0.059 0.000 2.456 359 L HA 0.538 4.880 4.340 0.003 0.000 0.257 359 L C 0.722 177.632 176.870 0.066 0.000 1.162 359 L CA -0.768 54.118 54.840 0.076 0.000 0.808 359 L CB 0.339 42.458 42.059 0.100 0.000 1.136 359 L HN 0.034 nan 8.230 nan 0.000 0.466 360 D N -0.576 119.878 120.400 0.091 0.000 2.354 360 D HA -0.151 4.491 4.640 0.003 0.000 0.238 360 D C 0.227 176.602 176.300 0.125 0.000 1.250 360 D CA -0.219 53.857 54.000 0.127 0.000 0.911 360 D CB 0.611 41.489 40.800 0.131 0.000 1.163 360 D HN 0.762 nan 8.370 nan 0.000 0.456 361 W N -0.282 121.050 121.300 0.053 0.000 2.825 361 W HA -0.022 4.640 4.660 0.003 0.000 0.243 361 W C 1.326 177.897 176.519 0.087 0.000 1.293 361 W CA 0.492 57.864 57.345 0.045 0.000 1.403 361 W CB 0.306 29.763 29.460 -0.005 0.000 1.134 361 W HN 0.387 nan 8.180 nan 0.000 0.666 362 D N -1.243 119.299 120.400 0.236 0.000 2.525 362 D HA -0.067 4.575 4.640 0.003 0.000 0.248 362 D C 1.859 178.282 176.300 0.206 0.000 1.000 362 D CA 0.597 54.750 54.000 0.255 0.000 0.923 362 D CB -0.052 40.885 40.800 0.228 0.000 1.101 362 D HN -0.087 nan 8.370 nan 0.000 0.493 363 K N 2.175 122.662 120.400 0.144 0.000 2.009 363 K HA -0.030 4.292 4.320 0.003 0.000 0.210 363 K C 1.849 178.504 176.600 0.092 0.000 1.049 363 K CA 1.641 58.000 56.287 0.119 0.000 0.929 363 K CB -0.685 31.880 32.500 0.109 0.000 0.714 363 K HN -0.001 nan 8.250 nan 0.000 0.440 364 A N 0.097 122.939 122.820 0.036 0.000 2.070 364 A HA -0.154 4.168 4.320 0.003 0.000 0.220 364 A C 2.153 179.740 177.584 0.005 0.000 1.159 364 A CA 1.319 53.334 52.037 -0.036 0.000 0.656 364 A CB -0.950 17.960 19.000 -0.151 0.000 0.800 364 A HN 0.707 nan 8.150 nan 0.000 0.453 365 W N 0.383 121.569 121.300 -0.190 0.000 2.480 365 W HA -0.069 4.593 4.660 0.003 0.000 0.299 365 W C 1.889 178.392 176.519 -0.027 0.000 1.187 365 W CA 1.248 58.496 57.345 -0.162 0.000 1.347 365 W CB -0.055 29.331 29.460 -0.122 0.000 1.121 365 W HN 0.532 nan 8.180 nan 0.000 0.533 366 E N 0.717 120.963 120.200 0.077 0.000 2.150 366 E HA -0.173 4.179 4.350 0.003 0.000 0.193 366 E C 1.977 178.551 176.600 -0.043 0.000 0.985 366 E CA 1.206 57.585 56.400 -0.036 0.000 0.814 366 E CB -0.219 29.535 29.700 0.089 0.000 0.752 366 E HN 0.113 nan 8.360 nan 0.000 0.466 367 V N 0.953 120.877 119.914 0.017 0.000 2.343 367 V HA -0.221 3.901 4.120 0.003 0.000 0.247 367 V C 2.338 178.424 176.094 -0.014 0.000 1.051 367 V CA 2.190 64.518 62.300 0.047 0.000 1.036 367 V CB -0.588 31.294 31.823 0.099 0.000 0.654 367 V HN 0.330 nan 8.190 nan 0.000 0.451 368 T N -1.251 113.240 114.554 -0.104 0.000 3.055 368 T HA -0.048 4.304 4.350 0.003 0.000 0.265 368 T C 1.534 175.993 174.700 -0.401 0.000 1.111 368 T CA 1.070 63.057 62.100 -0.188 0.000 1.118 368 T CB 0.299 69.096 68.868 -0.119 0.000 0.909 368 T HN 0.268 nan 8.240 nan 0.000 0.501 369 V N 0.343 119.911 119.914 -0.577 0.000 3.647 369 V HA 0.309 4.431 4.120 0.003 0.000 0.279 369 V C 1.612 177.639 176.094 -0.112 0.000 1.314 369 V CA 0.878 62.864 62.300 -0.524 0.000 1.125 369 V CB -0.132 31.170 31.823 -0.868 0.000 0.907 369 V HN 0.234 nan 8.190 nan 0.000 0.434 370 K N -1.508 118.876 120.400 -0.025 0.000 2.391 370 K HA 0.141 4.463 4.320 0.003 0.000 0.197 370 K C 1.662 178.397 176.600 0.226 0.000 1.087 370 K CA 0.793 57.187 56.287 0.178 0.000 1.012 370 K CB 0.642 33.175 32.500 0.055 0.000 0.925 370 K HN 0.462 nan 8.250 nan 0.000 0.547 371 T N -0.184 114.414 114.554 0.074 0.000 3.021 371 T HA 0.094 4.446 4.350 0.003 0.000 0.245 371 T C 0.738 175.438 174.700 0.000 0.000 1.028 371 T CA 0.196 62.322 62.100 0.043 0.000 1.139 371 T CB 0.096 68.960 68.868 -0.007 0.000 0.884 371 T HN 0.106 nan 8.240 nan 0.000 0.457 372 C N 2.774 122.027 119.300 -0.078 0.000 2.527 372 C HA 0.832 5.294 4.460 0.003 0.000 0.396 372 C C 0.728 175.565 174.990 -0.256 0.000 1.289 372 C CA -1.155 57.803 59.018 -0.101 0.000 2.047 372 C CB -0.540 27.149 27.740 -0.085 0.000 2.568 372 C HN 0.629 nan 8.230 nan 0.000 0.573 373 A N 2.613 125.353 122.820 -0.132 0.000 2.414 373 A HA 0.745 5.067 4.320 0.003 0.000 0.306 373 A C -1.424 176.240 177.584 0.132 0.000 1.054 373 A CA -0.377 51.581 52.037 -0.131 0.000 0.724 373 A CB 1.061 20.054 19.000 -0.011 0.000 1.267 373 A HN 0.871 nan 8.150 nan 0.000 0.418 374 Y N 1.090 121.382 120.300 -0.012 0.000 2.429 374 Y HA 0.700 5.252 4.550 0.004 0.000 0.342 374 Y C -0.315 175.635 175.900 0.084 0.000 1.004 374 Y CA -0.840 57.284 58.100 0.040 0.000 1.075 374 Y CB 1.784 40.246 38.460 0.004 0.000 1.214 374 Y HN 0.584 nan 8.280 nan 0.000 0.455 375 T N 6.304 120.915 114.554 0.095 0.000 2.829 375 T HA 0.270 4.622 4.350 0.003 0.000 0.282 375 T C -0.677 173.828 174.700 -0.325 0.000 0.990 375 T CA -0.702 61.347 62.100 -0.085 0.000 1.028 375 T CB 0.512 69.446 68.868 0.110 0.000 0.951 375 T HN 0.603 nan 8.240 nan 0.000 0.460 376 N N 0.531 118.957 118.700 -0.456 0.000 2.417 376 N HA 0.293 5.035 4.740 0.003 0.000 0.300 376 N C -0.396 174.928 175.510 -0.309 0.000 1.102 376 N CA -0.420 52.449 53.050 -0.300 0.000 0.886 376 N CB 1.233 39.535 38.487 -0.308 0.000 1.203 376 N HN 0.650 nan 8.380 nan 0.000 0.496 377 H N -1.019 118.081 119.070 0.051 0.000 3.233 377 H HA 0.232 4.790 4.556 0.003 0.000 0.263 377 H C -0.495 174.772 175.328 -0.102 0.000 1.168 377 H CA -0.124 55.906 56.048 -0.030 0.000 1.159 377 H CB 0.717 30.462 29.762 -0.028 0.000 1.593 377 H HN 0.539 nan 8.280 nan 0.000 0.580 378 T N -2.709 111.904 114.554 0.099 0.000 2.900 378 T HA 0.365 4.717 4.350 0.003 0.000 0.303 378 T C 0.550 175.331 174.700 0.135 0.000 1.142 378 T CA -0.472 61.663 62.100 0.058 0.000 1.007 378 T CB 1.947 70.844 68.868 0.047 0.000 1.156 378 T HN -0.060 nan 8.240 nan 0.000 0.490 379 V N 1.609 121.573 119.914 0.082 0.000 2.300 379 V HA 0.248 4.370 4.120 0.003 0.000 0.233 379 V C 0.714 176.799 176.094 -0.015 0.000 1.052 379 V CA 0.255 62.585 62.300 0.051 0.000 1.026 379 V CB -0.454 31.408 31.823 0.065 0.000 0.661 379 V HN 0.830 nan 8.190 nan 0.000 0.470 380 I N 2.614 123.170 120.570 -0.024 0.000 2.775 380 I HA 0.071 4.244 4.170 0.003 0.000 0.290 380 I C -0.929 175.183 176.117 -0.008 0.000 1.203 380 I CA -1.377 59.910 61.300 -0.021 0.000 1.433 380 I CB -0.444 37.535 38.000 -0.036 0.000 1.354 380 I HN 0.354 nan 8.210 nan 0.000 0.579 381 P HA -0.200 nan 4.420 nan 0.000 0.219 381 P C 1.154 178.457 177.300 0.004 0.000 1.144 381 P CA 1.389 64.501 63.100 0.020 0.000 0.806 381 P CB 0.341 32.060 31.700 0.031 0.000 0.771 382 E N 0.244 120.441 120.200 -0.006 0.000 2.077 382 E HA -0.126 4.226 4.350 0.003 0.000 0.193 382 E C 2.149 178.740 176.600 -0.015 0.000 0.989 382 E CA 1.275 57.666 56.400 -0.015 0.000 0.800 382 E CB -0.490 29.203 29.700 -0.012 0.000 0.746 382 E HN 0.213 nan 8.360 nan 0.000 0.452 383 A N 0.443 123.261 122.820 -0.003 0.000 2.239 383 A HA -0.027 4.295 4.320 0.003 0.000 0.209 383 A C 0.537 178.149 177.584 0.046 0.000 1.171 383 A CA 0.340 52.389 52.037 0.020 0.000 0.768 383 A CB -0.104 18.911 19.000 0.025 0.000 0.790 383 A HN 0.025 nan 8.150 nan 0.000 0.478 384 L N 0.893 122.136 121.223 0.034 0.000 2.278 384 L HA 0.232 4.574 4.340 0.003 0.000 0.287 384 L C 0.555 177.418 176.870 -0.012 0.000 1.072 384 L CA -0.126 54.746 54.840 0.054 0.000 0.819 384 L CB 0.882 42.986 42.059 0.075 0.000 1.176 384 L HN 0.436 nan 8.230 nan 0.000 0.435 385 E N 5.044 125.233 120.200 -0.017 0.000 2.316 385 E HA 0.317 4.670 4.350 0.003 0.000 0.275 385 E C -0.736 175.752 176.600 -0.188 0.000 1.029 385 E CA -0.445 55.868 56.400 -0.145 0.000 0.871 385 E CB 0.590 30.230 29.700 -0.100 0.000 1.022 385 E HN 0.447 nan 8.360 nan 0.000 0.418 386 R N 4.258 124.563 120.500 -0.325 0.000 2.502 386 R HA 0.336 4.678 4.340 0.003 0.000 0.300 386 R C -1.453 174.655 176.300 -0.322 0.000 0.984 386 R CA -0.562 55.405 56.100 -0.221 0.000 0.882 386 R CB 1.207 31.431 30.300 -0.127 0.000 1.180 386 R HN 0.543 nan 8.270 nan 0.000 0.444 387 W N 3.630 124.915 121.300 -0.024 0.000 2.627 387 W HA 0.445 5.107 4.660 0.004 0.000 0.339 387 W C -2.163 174.304 176.519 -0.086 0.000 1.058 387 W CA -2.327 54.985 57.345 -0.055 0.000 1.223 387 W CB 1.366 30.793 29.460 -0.054 0.000 1.389 387 W HN 0.315 nan 8.180 nan 0.000 0.541 388 P HA 0.013 nan 4.420 nan 0.000 0.286 388 P C 0.776 177.977 177.300 -0.165 0.000 1.269 388 P CA -0.241 62.780 63.100 -0.131 0.000 0.787 388 P CB 1.074 32.518 31.700 -0.427 0.000 0.920 389 V N 2.326 122.218 119.914 -0.038 0.000 2.282 389 V HA -0.345 3.777 4.120 0.003 0.000 0.249 389 V C 1.899 177.983 176.094 -0.017 0.000 1.057 389 V CA 2.459 64.766 62.300 0.013 0.000 1.032 389 V CB -2.317 29.591 31.823 0.142 0.000 0.645 389 V HN 0.677 nan 8.190 nan 0.000 0.447 390 H N -0.274 118.836 119.070 0.067 0.000 2.457 390 H HA -0.080 4.478 4.556 0.003 0.000 0.297 390 H C 2.171 177.524 175.328 0.042 0.000 1.092 390 H CA 1.886 57.964 56.048 0.051 0.000 1.309 390 H CB -0.577 29.217 29.762 0.054 0.000 1.382 390 H HN 0.433 nan 8.280 nan 0.000 0.535 391 L N 0.342 121.434 121.223 -0.218 0.000 2.044 391 L HA -0.080 4.262 4.340 0.003 0.000 0.205 391 L C 1.920 178.740 176.870 -0.085 0.000 1.075 391 L CA 1.227 56.014 54.840 -0.090 0.000 0.747 391 L CB -0.567 41.411 42.059 -0.135 0.000 0.903 391 L HN 0.374 nan 8.230 nan 0.000 0.435 392 L N 0.455 121.611 121.223 -0.112 0.000 2.083 392 L HA -0.190 4.152 4.340 0.003 0.000 0.209 392 L C 2.584 179.396 176.870 -0.098 0.000 1.083 392 L CA 1.492 56.251 54.840 -0.135 0.000 0.752 392 L CB -1.098 40.882 42.059 -0.130 0.000 0.899 392 L HN 0.349 nan 8.230 nan 0.000 0.433 393 E N -1.084 119.093 120.200 -0.038 0.000 2.058 393 E HA -0.187 4.165 4.350 0.003 0.000 0.194 393 E C 1.972 178.587 176.600 0.025 0.000 0.997 393 E CA 1.833 58.226 56.400 -0.012 0.000 0.801 393 E CB -0.156 29.572 29.700 0.047 0.000 0.746 393 E HN 0.447 nan 8.360 nan 0.000 0.450 394 T N 2.023 116.616 114.554 0.066 0.000 2.555 394 T HA -0.174 4.178 4.350 0.003 0.000 0.264 394 T C 1.953 176.732 174.700 0.133 0.000 1.083 394 T CA 1.785 63.967 62.100 0.137 0.000 1.179 394 T CB -0.306 68.666 68.868 0.174 0.000 0.863 394 T HN 0.278 nan 8.240 nan 0.000 0.412 395 L N -1.809 119.387 121.223 -0.045 0.000 2.616 395 L HA 0.419 4.762 4.340 0.003 0.000 0.229 395 L C 0.230 177.019 176.870 -0.136 0.000 1.110 395 L CA 0.138 54.834 54.840 -0.240 0.000 0.884 395 L CB 0.138 41.774 42.059 -0.705 0.000 1.115 395 L HN 0.079 nan 8.230 nan 0.000 0.481 396 L N 2.721 123.844 121.223 -0.167 0.000 2.784 396 L HA 0.405 4.747 4.340 0.003 0.000 0.241 396 L C -1.572 175.140 176.870 -0.264 0.000 1.352 396 L CA -1.680 53.007 54.840 -0.255 0.000 0.911 396 L CB 0.391 42.243 42.059 -0.346 0.000 1.227 396 L HN -0.063 nan 8.230 nan 0.000 0.501 397 P HA -0.171 nan 4.420 nan 0.000 0.215 397 P C 1.534 178.640 177.300 -0.323 0.000 1.157 397 P CA 1.006 63.979 63.100 -0.211 0.000 0.863 397 P CB 0.626 32.285 31.700 -0.069 0.000 0.787 398 R N -0.540 119.593 120.500 -0.612 0.000 2.096 398 R HA -0.132 4.210 4.340 0.003 0.000 0.235 398 R C 2.638 178.642 176.300 -0.493 0.000 1.127 398 R CA 1.539 57.298 56.100 -0.568 0.000 0.968 398 R CB -1.349 28.446 30.300 -0.842 0.000 0.861 398 R HN 0.309 nan 8.270 nan 0.000 0.440 399 H N -0.306 118.507 119.070 -0.429 0.000 2.357 399 H HA -0.090 4.468 4.556 0.003 0.000 0.301 399 H C 1.817 177.001 175.328 -0.240 0.000 1.082 399 H CA 1.430 57.311 56.048 -0.278 0.000 1.342 399 H CB -0.155 29.430 29.762 -0.295 0.000 1.389 399 H HN 0.157 nan 8.280 nan 0.000 0.511 400 L N 1.317 122.429 121.223 -0.185 0.000 2.201 400 L HA -0.181 4.161 4.340 0.003 0.000 0.212 400 L C 2.206 178.777 176.870 -0.498 0.000 1.105 400 L CA 1.386 56.015 54.840 -0.352 0.000 0.775 400 L CB -0.449 41.397 42.059 -0.356 0.000 0.913 400 L HN 0.282 nan 8.230 nan 0.000 0.440 401 Q N -0.000 119.627 119.800 -0.288 0.000 2.016 401 Q HA -0.179 4.163 4.340 0.003 0.000 0.200 401 Q C 2.232 178.197 176.000 -0.059 0.000 0.978 401 Q CA 1.927 57.629 55.803 -0.169 0.000 0.833 401 Q CB -0.049 28.645 28.738 -0.074 0.000 0.895 401 Q HN 0.572 nan 8.270 nan 0.000 0.427 402 I N 0.350 120.913 120.570 -0.011 0.000 2.614 402 I HA -0.238 3.934 4.170 0.003 0.000 0.258 402 I C 1.900 178.128 176.117 0.184 0.000 1.189 402 I CA 0.693 62.087 61.300 0.158 0.000 1.462 402 I CB -0.126 37.968 38.000 0.157 0.000 1.092 402 I HN 0.295 nan 8.210 nan 0.000 0.442 403 I N -0.308 120.317 120.570 0.091 0.000 2.394 403 I HA -0.283 3.889 4.170 0.003 0.000 0.251 403 I C 2.257 178.520 176.117 0.243 0.000 1.136 403 I CA 1.216 62.599 61.300 0.139 0.000 1.425 403 I CB -0.247 37.792 38.000 0.066 0.000 1.079 403 I HN 0.188 nan 8.210 nan 0.000 0.425 404 Y N 0.532 120.855 120.300 0.039 0.000 2.337 404 Y HA -0.157 4.395 4.550 0.003 0.000 0.293 404 Y C 2.525 178.389 175.900 -0.059 0.000 1.123 404 Y CA 0.828 58.929 58.100 0.001 0.000 1.201 404 Y CB -0.779 37.670 38.460 -0.019 0.000 1.011 404 Y HN 0.208 nan 8.280 nan 0.000 0.545 405 E N 0.412 120.638 120.200 0.043 0.000 2.072 405 E HA -0.110 4.242 4.350 0.003 0.000 0.190 405 E C 2.164 178.633 176.600 -0.218 0.000 0.982 405 E CA 0.963 57.200 56.400 -0.272 0.000 0.803 405 E CB -0.362 28.978 29.700 -0.599 0.000 0.755 405 E HN 0.353 nan 8.360 nan 0.000 0.453 406 I N 0.955 121.577 120.570 0.087 0.000 2.091 406 I HA -0.364 3.809 4.170 0.003 0.000 0.239 406 I C 2.330 178.498 176.117 0.085 0.000 1.061 406 I CA 1.668 63.003 61.300 0.059 0.000 1.317 406 I CB -0.530 37.556 38.000 0.143 0.000 1.031 406 I HN 0.242 nan 8.210 nan 0.000 0.401 407 N N 0.501 119.290 118.700 0.148 0.000 2.192 407 N HA -0.280 4.462 4.740 0.003 0.000 0.188 407 N C 1.807 177.396 175.510 0.132 0.000 1.013 407 N CA 1.585 54.750 53.050 0.193 0.000 0.863 407 N CB -0.121 38.470 38.487 0.174 0.000 0.990 407 N HN 0.392 nan 8.380 nan 0.000 0.430 408 Q N -0.097 119.719 119.800 0.026 0.000 2.033 408 Q HA -0.026 4.316 4.340 0.003 0.000 0.196 408 Q C 1.954 177.940 176.000 -0.023 0.000 0.970 408 Q CA 0.699 56.486 55.803 -0.028 0.000 0.828 408 Q CB 0.041 28.726 28.738 -0.089 0.000 0.895 408 Q HN 0.384 nan 8.270 nan 0.000 0.440 409 R N -0.340 120.137 120.500 -0.039 0.000 2.073 409 R HA -0.153 4.189 4.340 0.003 0.000 0.234 409 R C 2.258 178.595 176.300 0.063 0.000 1.134 409 R CA 1.620 57.707 56.100 -0.022 0.000 0.952 409 R CB -0.498 29.759 30.300 -0.071 0.000 0.850 409 R HN 0.279 nan 8.270 nan 0.000 0.433 410 F N 1.500 121.443 119.950 -0.011 0.000 2.113 410 F HA -0.076 4.453 4.527 0.003 0.000 0.297 410 F C 1.938 177.746 175.800 0.012 0.000 1.103 410 F CA 1.197 59.226 58.000 0.049 0.000 1.248 410 F CB -0.301 38.762 39.000 0.105 0.000 0.999 410 F HN -0.118 nan 8.300 nan 0.000 0.475 411 L N 0.469 121.616 121.223 -0.127 0.000 2.349 411 L HA -0.266 4.076 4.340 0.003 0.000 0.220 411 L C 1.882 178.637 176.870 -0.192 0.000 1.130 411 L CA 1.384 56.090 54.840 -0.224 0.000 0.791 411 L CB -0.842 41.175 42.059 -0.070 0.000 0.918 411 L HN 0.349 nan 8.230 nan 0.000 0.444 412 N N -0.537 118.087 118.700 -0.128 0.000 2.171 412 N HA -0.154 4.588 4.740 0.003 0.000 0.184 412 N C 1.894 177.345 175.510 -0.098 0.000 1.021 412 N CA 0.589 53.587 53.050 -0.087 0.000 0.854 412 N CB 0.050 38.508 38.487 -0.047 0.000 0.994 412 N HN 0.249 nan 8.380 nan 0.000 0.426 413 R N 0.645 121.061 120.500 -0.139 0.000 2.083 413 R HA -0.074 4.268 4.340 0.003 0.000 0.237 413 R C 1.895 178.117 176.300 -0.129 0.000 1.137 413 R CA 1.036 57.065 56.100 -0.119 0.000 0.951 413 R CB -0.284 29.933 30.300 -0.140 0.000 0.851 413 R HN 0.087 nan 8.270 nan 0.000 0.434 414 V N 0.133 119.889 119.914 -0.263 0.000 3.241 414 V HA -0.139 3.983 4.120 0.003 0.000 0.269 414 V C 1.735 177.812 176.094 -0.027 0.000 1.151 414 V CA 1.666 63.849 62.300 -0.194 0.000 1.158 414 V CB -0.075 31.481 31.823 -0.446 0.000 0.764 414 V HN 0.415 nan 8.190 nan 0.000 0.508 415 A N -0.597 122.200 122.820 -0.039 0.000 2.127 415 A HA 0.512 4.834 4.320 0.003 0.000 0.204 415 A C 2.194 179.783 177.584 0.009 0.000 1.243 415 A CA 0.787 52.827 52.037 0.004 0.000 0.887 415 A CB -0.191 18.790 19.000 -0.032 0.000 0.933 415 A HN 0.435 nan 8.150 nan 0.000 0.479 416 A N -0.256 122.555 122.820 -0.015 0.000 2.131 416 A HA 0.244 4.566 4.320 0.003 0.000 0.220 416 A C 1.889 179.453 177.584 -0.034 0.000 1.158 416 A CA 2.107 54.132 52.037 -0.020 0.000 0.665 416 A CB -0.352 18.636 19.000 -0.020 0.000 0.795 416 A HN 1.204 nan 8.150 nan 0.000 0.460 417 A N -3.190 119.606 122.820 -0.041 0.000 2.474 417 A HA 0.538 4.861 4.320 0.003 0.000 0.221 417 A C 0.555 178.000 177.584 -0.233 0.000 1.298 417 A CA -0.128 51.817 52.037 -0.153 0.000 1.008 417 A CB 0.306 19.165 19.000 -0.236 0.000 1.217 417 A HN 0.304 nan 8.150 nan 0.000 0.553 418 F N 1.123 121.035 119.950 -0.063 0.000 2.850 418 F HA 0.307 4.836 4.527 0.003 0.000 0.306 418 F C -2.424 173.347 175.800 -0.048 0.000 1.162 418 F CA -2.280 55.686 58.000 -0.056 0.000 1.327 418 F CB 0.248 39.206 39.000 -0.071 0.000 0.953 418 F HN 0.037 nan 8.300 nan 0.000 0.507 419 P HA 0.232 nan 4.420 nan 0.000 0.269 419 P C 0.987 178.312 177.300 0.042 0.000 1.215 419 P CA 0.823 63.950 63.100 0.045 0.000 0.780 419 P CB 0.808 32.515 31.700 0.012 0.000 0.898 420 G N 0.907 109.721 108.800 0.022 0.000 2.176 420 G HA2 -0.215 3.747 3.960 0.003 0.000 0.253 420 G HA3 -0.215 3.747 3.960 0.003 0.000 0.253 420 G C 0.194 175.101 174.900 0.011 0.000 0.979 420 G CA -0.139 44.969 45.100 0.013 0.000 0.641 420 G HN 0.593 nan 8.290 nan 0.000 0.530 421 D N 1.297 121.706 120.400 0.016 0.000 2.498 421 D HA 0.391 5.033 4.640 0.003 0.000 0.229 421 D C 1.870 178.150 176.300 -0.034 0.000 1.188 421 D CA 0.202 54.197 54.000 -0.009 0.000 1.028 421 D CB 0.705 41.489 40.800 -0.027 0.000 1.087 421 D HN 0.111 nan 8.370 nan 0.000 0.510 422 V N 2.694 122.594 119.914 -0.023 0.000 2.407 422 V HA -0.202 3.920 4.120 0.003 0.000 0.248 422 V C 2.104 178.179 176.094 -0.031 0.000 1.055 422 V CA 1.373 63.658 62.300 -0.025 0.000 1.049 422 V CB -0.109 31.705 31.823 -0.015 0.000 0.662 422 V HN 0.499 nan 8.190 nan 0.000 0.455 423 D N -0.425 119.955 120.400 -0.033 0.000 2.103 423 D HA -0.156 4.486 4.640 0.003 0.000 0.199 423 D C 2.373 178.638 176.300 -0.058 0.000 0.978 423 D CA 1.319 55.299 54.000 -0.034 0.000 0.829 423 D CB 0.068 40.851 40.800 -0.028 0.000 0.981 423 D HN 0.334 nan 8.370 nan 0.000 0.464 424 R N 0.449 120.880 120.500 -0.114 0.000 2.148 424 R HA -0.031 4.311 4.340 0.003 0.000 0.223 424 R C 2.295 178.501 176.300 -0.156 0.000 1.088 424 R CA 0.372 56.363 56.100 -0.181 0.000 0.985 424 R CB 0.014 30.097 30.300 -0.361 0.000 0.880 424 R HN 0.108 nan 8.270 nan 0.000 0.451 425 L N 1.516 122.666 121.223 -0.122 0.000 2.072 425 L HA -0.103 4.239 4.340 0.003 0.000 0.205 425 L C 2.256 179.101 176.870 -0.043 0.000 1.079 425 L CA 1.595 56.376 54.840 -0.099 0.000 0.752 425 L CB -0.857 41.154 42.059 -0.080 0.000 0.906 425 L HN 0.365 nan 8.230 nan 0.000 0.436 426 R N -0.311 120.175 120.500 -0.022 0.000 2.377 426 R HA -0.109 4.233 4.340 0.003 0.000 0.207 426 R C 1.688 178.017 176.300 0.048 0.000 1.075 426 R CA 0.792 56.899 56.100 0.011 0.000 1.035 426 R CB -0.168 30.137 30.300 0.010 0.000 0.857 426 R HN 0.344 nan 8.270 nan 0.000 0.475 427 R N -0.463 120.066 120.500 0.048 0.000 2.350 427 R HA 0.292 4.635 4.340 0.003 0.000 0.199 427 R C 1.711 178.126 176.300 0.193 0.000 0.876 427 R CA 0.203 56.379 56.100 0.127 0.000 1.062 427 R CB 0.152 30.512 30.300 0.100 0.000 1.263 427 R HN 0.176 nan 8.270 nan 0.000 0.641 428 M N 1.103 120.720 119.600 0.028 0.000 2.595 428 M HA 0.067 4.550 4.480 0.003 0.000 0.248 428 M C 0.784 177.209 176.300 0.208 0.000 1.119 428 M CA 0.273 55.533 55.300 -0.068 0.000 1.079 428 M CB 0.403 32.723 32.600 -0.466 0.000 1.472 428 M HN -0.089 nan 8.290 nan 0.000 0.501 429 S N 2.129 117.955 115.700 0.209 0.000 2.575 429 S HA 0.018 4.490 4.470 0.003 0.000 0.295 429 S C 0.726 175.552 174.600 0.378 0.000 1.267 429 S CA -0.390 57.960 58.200 0.251 0.000 1.074 429 S CB 0.204 63.493 63.200 0.148 0.000 0.829 429 S HN 0.463 nan 8.310 nan 0.000 0.497 430 L N 3.683 125.116 121.223 0.350 0.000 2.715 430 L HA 0.505 4.847 4.340 0.003 0.000 0.238 430 L C -0.354 176.655 176.870 0.231 0.000 1.212 430 L CA -0.518 54.524 54.840 0.338 0.000 1.017 430 L CB -0.374 41.853 42.059 0.281 0.000 1.269 430 L HN 0.326 nan 8.230 nan 0.000 0.452 431 V N 0.425 120.453 119.914 0.191 0.000 2.376 431 V HA 0.317 4.439 4.120 0.003 0.000 0.287 431 V C -0.003 176.158 176.094 0.112 0.000 1.015 431 V CA -0.367 62.020 62.300 0.145 0.000 0.834 431 V CB 1.967 33.842 31.823 0.087 0.000 1.001 431 V HN 0.338 nan 8.190 nan 0.000 0.428 432 E N 3.447 123.705 120.200 0.097 0.000 2.280 432 E HA 0.593 4.945 4.350 0.003 0.000 0.264 432 E C -0.567 176.073 176.600 0.066 0.000 1.064 432 E CA -0.480 55.963 56.400 0.072 0.000 0.900 432 E CB 1.305 31.034 29.700 0.050 0.000 1.123 432 E HN 0.709 nan 8.360 nan 0.000 0.418 433 E N -0.358 119.874 120.200 0.053 0.000 2.459 433 E HA 0.589 4.941 4.350 0.003 0.000 0.275 433 E C -0.181 176.445 176.600 0.042 0.000 0.987 433 E CA -0.756 55.673 56.400 0.048 0.000 0.828 433 E CB 1.992 31.714 29.700 0.037 0.000 1.428 433 E HN 0.720 nan 8.360 nan 0.000 0.457 434 G N 0.319 109.142 108.800 0.039 0.000 2.358 434 G HA2 0.123 4.085 3.960 0.003 0.000 0.198 434 G HA3 0.123 4.085 3.960 0.003 0.000 0.198 434 G C -1.243 173.679 174.900 0.036 0.000 1.220 434 G CA -0.383 44.737 45.100 0.032 0.000 1.187 434 G HN 0.708 nan 8.290 nan 0.000 0.544 435 A N -0.355 122.484 122.820 0.033 0.000 2.415 435 A HA 0.783 5.105 4.320 0.003 0.000 0.309 435 A C 0.623 178.237 177.584 0.051 0.000 1.356 435 A CA 0.698 52.756 52.037 0.034 0.000 0.998 435 A CB -0.242 18.773 19.000 0.024 0.000 1.145 435 A HN 2.366 nan 8.150 nan 0.000 0.545 436 V N 2.321 122.278 119.914 0.071 0.000 3.346 436 V HA -0.141 3.981 4.120 0.003 0.000 0.477 436 V C 0.233 176.388 176.094 0.102 0.000 0.682 436 V CA 0.371 62.742 62.300 0.119 0.000 2.016 436 V CB -0.914 30.993 31.823 0.141 0.000 2.468 436 V HN 1.046 nan 8.190 nan 0.000 0.500 437 K N 5.825 126.301 120.400 0.126 0.000 2.237 437 K HA 0.640 4.962 4.320 0.003 0.000 0.270 437 K C 0.306 176.970 176.600 0.108 0.000 1.015 437 K CA -0.194 56.161 56.287 0.112 0.000 0.949 437 K CB 1.122 33.700 32.500 0.130 0.000 0.976 437 K HN 0.882 nan 8.250 nan 0.000 0.472 438 R N 1.655 122.211 120.500 0.093 0.000 2.829 438 R HA 0.554 4.896 4.340 0.003 0.000 0.267 438 R C -0.666 175.696 176.300 0.103 0.000 1.051 438 R CA -0.975 55.172 56.100 0.078 0.000 0.927 438 R CB 0.736 31.062 30.300 0.044 0.000 1.292 438 R HN 0.357 nan 8.270 nan 0.000 0.445 439 I N 1.035 121.668 120.570 0.105 0.000 2.466 439 I HA 0.257 4.429 4.170 0.003 0.000 0.289 439 I C -0.722 175.449 176.117 0.091 0.000 1.026 439 I CA -1.008 60.369 61.300 0.128 0.000 1.078 439 I CB 2.195 40.288 38.000 0.155 0.000 1.249 439 I HN 0.501 nan 8.210 nan 0.000 0.429 440 N N 7.318 126.060 118.700 0.070 0.000 2.555 440 N HA 0.149 4.891 4.740 0.003 0.000 0.244 440 N C 0.708 176.239 175.510 0.035 0.000 1.114 440 N CA -0.224 52.819 53.050 -0.011 0.000 0.963 440 N CB 0.910 39.322 38.487 -0.124 0.000 1.276 440 N HN 0.526 nan 8.380 nan 0.000 0.510 441 M N 0.491 120.122 119.600 0.051 0.000 2.557 441 M HA 0.002 4.484 4.480 0.003 0.000 0.259 441 M C 1.814 178.124 176.300 0.017 0.000 1.086 441 M CA 0.372 55.714 55.300 0.069 0.000 1.096 441 M CB -1.033 31.642 32.600 0.125 0.000 1.424 441 M HN 0.391 nan 8.290 nan 0.000 0.488 442 A N -0.628 122.220 122.820 0.046 0.000 1.930 442 A HA -0.099 4.223 4.320 0.003 0.000 0.215 442 A C 1.963 179.569 177.584 0.036 0.000 1.176 442 A CA 0.935 53.039 52.037 0.113 0.000 0.632 442 A CB -0.897 18.347 19.000 0.407 0.000 0.819 442 A HN 0.521 nan 8.150 nan 0.000 0.445 443 H N -0.870 118.134 119.070 -0.110 0.000 2.319 443 H HA -0.110 4.448 4.556 0.003 0.000 0.299 443 H C 2.135 177.422 175.328 -0.069 0.000 1.092 443 H CA 1.079 57.058 56.048 -0.116 0.000 1.302 443 H CB -0.019 29.806 29.762 0.105 0.000 1.373 443 H HN 0.343 nan 8.280 nan 0.000 0.497 444 L N 0.764 122.049 121.223 0.104 0.000 2.012 444 L HA -0.218 4.125 4.340 0.003 0.000 0.210 444 L C 2.414 179.262 176.870 -0.036 0.000 1.073 444 L CA 1.516 56.382 54.840 0.044 0.000 0.748 444 L CB -1.113 40.994 42.059 0.079 0.000 0.891 444 L HN 0.422 nan 8.230 nan 0.000 0.431 445 C N 0.201 119.422 119.300 -0.131 0.000 2.432 445 C HA -0.189 4.273 4.460 0.003 0.000 0.277 445 C C 2.815 177.714 174.990 -0.153 0.000 1.249 445 C CA 0.863 59.700 59.018 -0.302 0.000 1.725 445 C CB -0.739 26.497 27.740 -0.841 0.000 2.028 445 C HN 0.568 nan 8.230 nan 0.000 0.477 446 I N 1.321 121.862 120.570 -0.048 0.000 2.118 446 I HA -0.277 3.895 4.170 0.003 0.000 0.241 446 I C 2.749 178.857 176.117 -0.015 0.000 1.070 446 I CA 1.878 63.195 61.300 0.029 0.000 1.327 446 I CB -0.764 37.195 38.000 -0.069 0.000 1.034 446 I HN 0.334 nan 8.210 nan 0.000 0.405 447 A N 0.821 123.586 122.820 -0.092 0.000 1.859 447 A HA -0.166 4.156 4.320 0.003 0.000 0.217 447 A C 2.093 179.653 177.584 -0.040 0.000 1.198 447 A CA 2.069 54.024 52.037 -0.137 0.000 0.629 447 A CB -1.469 17.388 19.000 -0.239 0.000 0.830 447 A HN 0.498 nan 8.150 nan 0.000 0.446 448 G N -0.571 108.191 108.800 -0.062 0.000 3.639 448 G HA2 0.458 4.420 3.960 0.003 0.000 0.279 448 G HA3 0.458 4.420 3.960 0.003 0.000 0.279 448 G C -0.263 174.504 174.900 -0.221 0.000 1.312 448 G CA 0.469 45.418 45.100 -0.252 0.000 1.355 448 G HN 0.310 nan 8.290 nan 0.000 0.595 449 S N -1.052 114.546 115.700 -0.170 0.000 2.546 449 S HA 0.305 4.777 4.470 0.003 0.000 0.272 449 S C 0.557 175.093 174.600 -0.108 0.000 1.140 449 S CA -0.726 57.376 58.200 -0.163 0.000 0.920 449 S CB 1.278 64.452 63.200 -0.043 0.000 1.083 449 S HN 0.628 nan 8.310 nan 0.000 0.476 450 H N 1.207 120.264 119.070 -0.020 0.000 2.363 450 H HA 0.476 5.034 4.556 0.003 0.000 0.301 450 H C 0.639 175.951 175.328 -0.028 0.000 1.074 450 H CA 1.000 57.047 56.048 -0.002 0.000 1.354 450 H CB 0.078 29.854 29.762 0.023 0.000 1.397 450 H HN 0.548 nan 8.280 nan 0.000 0.516 451 A N 1.558 124.380 122.820 0.003 0.000 2.318 451 A HA 0.585 4.907 4.320 0.003 0.000 0.317 451 A C -1.055 176.454 177.584 -0.126 0.000 1.159 451 A CA -0.724 51.294 52.037 -0.033 0.000 0.799 451 A CB 1.454 20.482 19.000 0.048 0.000 1.194 451 A HN 0.170 nan 8.150 nan 0.000 0.479 452 V N 4.537 124.283 119.914 -0.279 0.000 2.357 452 V HA 0.390 4.512 4.120 0.003 0.000 0.284 452 V C -0.261 175.597 176.094 -0.392 0.000 1.018 452 V CA -0.664 61.395 62.300 -0.402 0.000 0.841 452 V CB 1.290 32.791 31.823 -0.536 0.000 0.991 452 V HN 0.963 nan 8.190 nan 0.000 0.437 453 N N 3.623 122.105 118.700 -0.364 0.000 2.531 453 N HA 0.363 5.105 4.740 0.003 0.000 0.268 453 N C -0.057 175.316 175.510 -0.229 0.000 1.023 453 N CA -0.494 52.402 53.050 -0.257 0.000 0.896 453 N CB 2.248 40.596 38.487 -0.231 0.000 1.233 453 N HN 0.643 nan 8.380 nan 0.000 0.512 454 G N 0.838 109.526 108.800 -0.187 0.000 2.441 454 G HA2 0.091 4.053 3.960 0.003 0.000 0.243 454 G HA3 0.091 4.053 3.960 0.003 0.000 0.243 454 G C 0.699 175.625 174.900 0.044 0.000 1.281 454 G CA -0.559 44.495 45.100 -0.077 0.000 0.854 454 G HN 0.496 nan 8.290 nan 0.000 0.560 455 V N 1.732 121.735 119.914 0.147 0.000 3.630 455 V HA 0.465 4.587 4.120 0.003 0.000 0.273 455 V C 1.119 177.275 176.094 0.104 0.000 1.248 455 V CA 1.455 63.809 62.300 0.091 0.000 1.170 455 V CB -1.065 30.766 31.823 0.013 0.000 0.899 455 V HN 1.109 nan 8.190 nan 0.000 0.457 456 A N -0.939 121.956 122.820 0.125 0.000 2.547 456 A HA 0.424 4.746 4.320 0.003 0.000 0.300 456 A C 0.781 178.417 177.584 0.087 0.000 1.061 456 A CA -0.391 51.702 52.037 0.093 0.000 0.808 456 A CB 0.649 19.697 19.000 0.080 0.000 1.304 456 A HN 0.030 nan 8.150 nan 0.000 0.393 457 R N 1.160 121.686 120.500 0.045 0.000 2.165 457 R HA -0.260 4.082 4.340 0.003 0.000 0.254 457 R C 1.799 178.107 176.300 0.013 0.000 1.153 457 R CA 2.684 58.794 56.100 0.017 0.000 0.971 457 R CB -0.515 29.788 30.300 0.004 0.000 0.878 457 R HN 0.952 nan 8.270 nan 0.000 0.449 458 I N -2.998 117.588 120.570 0.026 0.000 2.353 458 I HA -0.161 4.011 4.170 0.003 0.000 0.248 458 I C 2.384 178.514 176.117 0.021 0.000 1.119 458 I CA 1.728 63.034 61.300 0.010 0.000 1.417 458 I CB -0.751 37.253 38.000 0.006 0.000 1.078 458 I HN 0.127 nan 8.210 nan 0.000 0.421 459 H N 1.593 120.639 119.070 -0.041 0.000 2.267 459 H HA -0.212 4.346 4.556 0.003 0.000 0.297 459 H C 2.492 177.781 175.328 -0.065 0.000 1.080 459 H CA 2.512 58.528 56.048 -0.054 0.000 1.278 459 H CB -0.529 29.203 29.762 -0.049 0.000 1.365 459 H HN 0.371 nan 8.280 nan 0.000 0.489 460 S N -0.720 114.906 115.700 -0.125 0.000 2.419 460 S HA -0.158 4.315 4.470 0.003 0.000 0.235 460 S C 1.970 176.472 174.600 -0.164 0.000 1.019 460 S CA 1.577 59.650 58.200 -0.213 0.000 0.982 460 S CB -0.258 62.901 63.200 -0.068 0.000 0.789 460 S HN 0.589 nan 8.310 nan 0.000 0.490 461 E N 0.474 120.597 120.200 -0.128 0.000 2.216 461 E HA 0.044 4.396 4.350 0.003 0.000 0.192 461 E C 2.042 178.537 176.600 -0.175 0.000 0.973 461 E CA 0.930 57.245 56.400 -0.141 0.000 0.851 461 E CB -0.099 29.543 29.700 -0.097 0.000 0.804 461 E HN 0.829 nan 8.360 nan 0.000 0.477 462 I N -1.361 119.122 120.570 -0.146 0.000 2.830 462 I HA -0.120 4.052 4.170 0.003 0.000 0.263 462 I C 2.135 178.155 176.117 -0.163 0.000 1.230 462 I CA 0.641 61.862 61.300 -0.131 0.000 1.480 462 I CB -0.337 37.614 38.000 -0.081 0.000 1.095 462 I HN -0.021 nan 8.210 nan 0.000 0.455 463 L N 0.938 122.025 121.223 -0.228 0.000 2.191 463 L HA -0.132 4.210 4.340 0.003 0.000 0.212 463 L C 2.357 179.137 176.870 -0.151 0.000 1.103 463 L CA 1.425 56.132 54.840 -0.220 0.000 0.769 463 L CB -0.304 41.594 42.059 -0.269 0.000 0.908 463 L HN 0.362 nan 8.230 nan 0.000 0.438 464 K N 0.074 120.295 120.400 -0.298 0.000 2.260 464 K HA -0.029 4.293 4.320 0.003 0.000 0.191 464 K C 1.489 177.899 176.600 -0.317 0.000 1.076 464 K CA 0.119 56.052 56.287 -0.589 0.000 1.077 464 K CB -0.174 31.712 32.500 -1.023 0.000 1.423 464 K HN -0.124 nan 8.250 nan 0.000 0.462 465 K N -0.234 119.993 120.400 -0.288 0.000 3.074 465 K HA -0.373 3.949 4.320 0.003 0.000 0.194 465 K C 2.041 178.604 176.600 -0.062 0.000 0.817 465 K CA 2.814 59.019 56.287 -0.136 0.000 0.879 465 K CB -1.085 31.343 32.500 -0.120 0.000 1.612 465 K HN 0.701 nan 8.250 nan 0.000 0.587 466 T N -2.610 111.914 114.554 -0.049 0.000 3.393 466 T HA 0.175 4.527 4.350 0.003 0.000 0.231 466 T C 1.821 176.555 174.700 0.056 0.000 0.983 466 T CA 0.138 62.239 62.100 0.002 0.000 1.272 466 T CB -0.129 68.734 68.868 -0.008 0.000 1.214 466 T HN 0.038 nan 8.240 nan 0.000 0.368 467 I N 0.171 120.772 120.570 0.051 0.000 2.233 467 I HA 0.163 4.335 4.170 0.003 0.000 0.243 467 I C 1.404 177.738 176.117 0.361 0.000 1.093 467 I CA 1.314 62.696 61.300 0.136 0.000 1.380 467 I CB -1.274 36.740 38.000 0.023 0.000 1.067 467 I HN 0.137 nan 8.210 nan 0.000 0.413 468 F N 2.685 122.657 119.950 0.038 0.000 2.819 468 F HA 0.197 4.726 4.527 0.004 0.000 0.294 468 F C 1.912 177.759 175.800 0.078 0.000 1.166 468 F CA -0.971 57.069 58.000 0.066 0.000 1.374 468 F CB -0.739 38.410 39.000 0.249 0.000 0.956 468 F HN 0.207 nan 8.300 nan 0.000 0.509 469 K N -0.975 119.568 120.400 0.238 0.000 2.057 469 K HA -0.127 4.195 4.320 0.003 0.000 0.206 469 K C 1.010 177.750 176.600 0.234 0.000 1.050 469 K CA 1.813 58.196 56.287 0.160 0.000 0.935 469 K CB -0.209 32.350 32.500 0.098 0.000 0.715 469 K HN -0.095 nan 8.250 nan 0.000 0.439 470 D N 0.086 120.650 120.400 0.274 0.000 2.310 470 D HA -0.070 4.572 4.640 0.003 0.000 0.212 470 D C 1.261 177.589 176.300 0.047 0.000 0.965 470 D CA 0.775 54.825 54.000 0.084 0.000 0.879 470 D CB -0.080 40.687 40.800 -0.056 0.000 0.921 470 D HN 0.240 nan 8.370 nan 0.000 0.510 471 F N -0.981 119.003 119.950 0.056 0.000 2.387 471 F HA 0.028 4.557 4.527 0.003 0.000 0.294 471 F C 1.992 177.864 175.800 0.120 0.000 1.093 471 F CA -0.093 58.000 58.000 0.156 0.000 1.420 471 F CB -0.781 38.362 39.000 0.239 0.000 1.086 471 F HN -0.064 nan 8.300 nan 0.000 0.531 472 Y N 1.767 122.032 120.300 -0.059 0.000 2.070 472 Y HA -0.226 4.327 4.550 0.004 0.000 0.279 472 Y C 2.144 178.047 175.900 0.005 0.000 1.134 472 Y CA 1.868 59.784 58.100 -0.306 0.000 1.113 472 Y CB -0.776 37.430 38.460 -0.425 0.000 0.981 472 Y HN 0.093 nan 8.280 nan 0.000 0.487 473 E N -0.319 119.917 120.200 0.059 0.000 2.444 473 E HA -0.185 4.167 4.350 0.003 0.000 0.204 473 E C 0.881 177.599 176.600 0.197 0.000 1.049 473 E CA 1.219 57.694 56.400 0.125 0.000 0.872 473 E CB -0.305 29.546 29.700 0.252 0.000 0.791 473 E HN 0.529 nan 8.360 nan 0.000 0.548 474 L N -3.868 117.456 121.223 0.167 0.000 3.360 474 L HA 0.388 4.730 4.340 0.003 0.000 0.303 474 L C 0.168 177.145 176.870 0.179 0.000 1.218 474 L CA 0.125 55.079 54.840 0.190 0.000 1.059 474 L CB 0.225 42.474 42.059 0.316 0.000 1.468 474 L HN -0.222 nan 8.230 nan 0.000 0.614 475 E N 0.251 120.548 120.200 0.162 0.000 4.230 475 E HA 0.236 4.588 4.350 0.003 0.000 0.218 475 E C -2.113 174.477 176.600 -0.017 0.000 1.140 475 E CA -1.117 55.393 56.400 0.184 0.000 1.405 475 E CB 1.126 30.947 29.700 0.201 0.000 1.193 475 E HN 0.094 nan 8.360 nan 0.000 0.423 476 P HA -0.269 nan 4.420 nan 0.000 0.215 476 P C 1.211 178.516 177.300 0.008 0.000 1.163 476 P CA 1.348 64.079 63.100 -0.616 0.000 0.894 476 P CB -0.110 31.186 31.700 -0.673 0.000 0.791 477 H N -0.277 118.839 119.070 0.076 0.000 2.566 477 H HA -0.016 4.542 4.556 0.003 0.000 0.285 477 H C 1.116 176.561 175.328 0.196 0.000 1.041 477 H CA 0.894 57.029 56.048 0.145 0.000 1.207 477 H CB -0.674 29.133 29.762 0.075 0.000 1.353 477 H HN 0.199 nan 8.280 nan 0.000 0.604 478 K N 0.593 120.870 120.400 -0.204 0.000 2.116 478 K HA -0.027 4.295 4.320 0.003 0.000 0.203 478 K C 0.377 176.886 176.600 -0.150 0.000 1.052 478 K CA 0.281 56.452 56.287 -0.194 0.000 0.952 478 K CB -0.084 32.208 32.500 -0.347 0.000 0.729 478 K HN 0.203 nan 8.250 nan 0.000 0.446 479 F N 3.678 123.672 119.950 0.074 0.000 2.626 479 F HA 0.007 4.536 4.527 0.003 0.000 0.368 479 F C 0.985 176.815 175.800 0.050 0.000 1.227 479 F CA 0.259 58.327 58.000 0.114 0.000 1.302 479 F CB -0.865 38.308 39.000 0.289 0.000 1.733 479 F HN -0.007 nan 8.300 nan 0.000 0.672 480 Q N 0.999 120.812 119.800 0.021 0.000 2.631 480 Q HA 0.140 4.482 4.340 0.003 0.000 0.210 480 Q C 0.180 176.143 176.000 -0.062 0.000 1.094 480 Q CA -0.205 55.579 55.803 -0.032 0.000 1.055 480 Q CB 0.844 29.510 28.738 -0.120 0.000 1.261 480 Q HN 0.552 nan 8.270 nan 0.000 0.615 481 N N -0.590 118.052 118.700 -0.098 0.000 2.329 481 N HA 0.251 4.993 4.740 0.003 0.000 0.282 481 N C -1.851 173.561 175.510 -0.164 0.000 1.198 481 N CA -0.436 52.553 53.050 -0.102 0.000 0.790 481 N CB 1.436 39.890 38.487 -0.056 0.000 1.579 481 N HN 0.302 nan 8.380 nan 0.000 0.475 482 K N 2.173 122.483 120.400 -0.150 0.000 2.656 482 K HA 0.197 4.519 4.320 0.003 0.000 0.253 482 K C -1.270 175.316 176.600 -0.024 0.000 1.002 482 K CA -0.582 55.601 56.287 -0.174 0.000 0.880 482 K CB 1.756 34.024 32.500 -0.387 0.000 1.232 482 K HN 0.517 nan 8.250 nan 0.000 0.456 483 T N 2.342 116.898 114.554 0.003 0.000 2.901 483 T HA 0.102 4.454 4.350 0.003 0.000 0.301 483 T C 0.643 175.439 174.700 0.160 0.000 1.012 483 T CA -0.318 61.832 62.100 0.083 0.000 1.135 483 T CB 0.264 69.177 68.868 0.076 0.000 0.936 483 T HN 0.294 nan 8.240 nan 0.000 0.539 484 N N 1.388 120.225 118.700 0.228 0.000 2.189 484 N HA 0.139 4.881 4.740 0.003 0.000 0.243 484 N C 0.440 176.132 175.510 0.303 0.000 1.235 484 N CA 0.738 53.972 53.050 0.306 0.000 0.843 484 N CB 0.363 38.971 38.487 0.202 0.000 1.089 484 N HN 0.896 nan 8.380 nan 0.000 0.454 485 G N -0.141 108.882 108.800 0.372 0.000 2.694 485 G HA2 0.688 4.650 3.960 0.003 0.000 0.290 485 G HA3 0.688 4.650 3.960 0.003 0.000 0.290 485 G C -1.146 173.903 174.900 0.247 0.000 1.386 485 G CA -0.405 44.868 45.100 0.289 0.000 0.872 485 G HN 0.391 nan 8.290 nan 0.000 0.475 486 I N -0.240 120.444 120.570 0.191 0.000 2.646 486 I HA 0.490 4.663 4.170 0.003 0.000 0.299 486 I C 0.536 176.773 176.117 0.201 0.000 1.036 486 I CA -0.596 60.806 61.300 0.170 0.000 1.074 486 I CB 2.516 40.564 38.000 0.081 0.000 1.258 486 I HN 0.435 nan 8.210 nan 0.000 0.430 487 T N 5.954 120.640 114.554 0.220 0.000 2.832 487 T HA 0.313 4.665 4.350 0.003 0.000 0.296 487 T C -1.743 173.010 174.700 0.089 0.000 0.968 487 T CA -1.676 60.493 62.100 0.115 0.000 1.107 487 T CB 0.896 69.797 68.868 0.056 0.000 0.916 487 T HN 0.384 nan 8.240 nan 0.000 0.517 488 P HA -0.008 nan 4.420 nan 0.000 0.240 488 P C 0.767 177.987 177.300 -0.133 0.000 1.186 488 P CA 0.375 63.459 63.100 -0.028 0.000 0.755 488 P CB 0.280 31.940 31.700 -0.067 0.000 0.870 489 R N 0.387 120.788 120.500 -0.165 0.000 2.023 489 R HA 0.123 4.465 4.340 0.003 0.000 0.217 489 R C 2.586 178.729 176.300 -0.262 0.000 1.255 489 R CA 1.077 57.034 56.100 -0.238 0.000 0.981 489 R CB -1.336 28.830 30.300 -0.224 0.000 0.853 489 R HN -0.059 nan 8.270 nan 0.000 0.463 490 R N -0.532 119.734 120.500 -0.389 0.000 2.139 490 R HA -0.146 4.196 4.340 0.003 0.000 0.243 490 R C 0.222 176.052 176.300 -0.784 0.000 1.145 490 R CA 1.768 57.440 56.100 -0.714 0.000 0.976 490 R CB -0.150 29.560 30.300 -0.983 0.000 0.866 490 R HN 0.322 nan 8.270 nan 0.000 0.449 491 W N 0.092 121.319 121.300 -0.122 0.000 2.385 491 W HA 0.392 5.054 4.660 0.004 0.000 0.393 491 W C 0.326 176.795 176.519 -0.082 0.000 0.720 491 W CA -0.728 56.548 57.345 -0.115 0.000 2.575 491 W CB 0.546 29.939 29.460 -0.112 0.000 1.693 491 W HN 0.154 nan 8.180 nan 0.000 0.767 492 L N -2.046 119.204 121.223 0.045 0.000 1.309 492 L HA -0.142 4.200 4.340 0.003 0.000 0.043 492 L C 1.850 178.706 176.870 -0.022 0.000 1.618 492 L CA 0.479 55.343 54.840 0.040 0.000 1.058 492 L CB -0.764 41.338 42.059 0.073 0.000 2.052 492 L HN -0.217 nan 8.230 nan 0.000 0.418 493 V N 0.499 120.364 119.914 -0.081 0.000 2.343 493 V HA -0.216 3.906 4.120 0.003 0.000 0.247 493 V C 2.067 178.110 176.094 -0.085 0.000 1.051 493 V CA 2.140 64.391 62.300 -0.081 0.000 1.036 493 V CB -1.155 30.582 31.823 -0.143 0.000 0.654 493 V HN 0.596 nan 8.190 nan 0.000 0.451 494 L N 0.235 121.379 121.223 -0.133 0.000 2.221 494 L HA 0.129 4.471 4.340 0.003 0.000 0.202 494 L C 2.768 179.550 176.870 -0.146 0.000 1.074 494 L CA 1.166 55.925 54.840 -0.136 0.000 0.795 494 L CB -1.376 40.579 42.059 -0.173 0.000 0.960 494 L HN 0.389 nan 8.230 nan 0.000 0.458 495 C N 0.173 119.363 119.300 -0.184 0.000 2.435 495 C HA 0.013 4.475 4.460 0.003 0.000 0.279 495 C C 1.382 176.328 174.990 -0.075 0.000 1.321 495 C CA 0.572 59.501 59.018 -0.149 0.000 1.752 495 C CB -1.184 26.470 27.740 -0.144 0.000 1.959 495 C HN 0.691 nan 8.230 nan 0.000 0.500 496 N N 0.979 119.654 118.700 -0.040 0.000 2.765 496 N HA 0.295 5.037 4.740 0.003 0.000 0.277 496 N C -1.520 173.990 175.510 -0.000 0.000 1.750 496 N CA -1.840 51.201 53.050 -0.014 0.000 0.827 496 N CB 0.724 39.216 38.487 0.009 0.000 1.200 496 N HN 0.301 nan 8.380 nan 0.000 0.494 497 P HA -0.155 nan 4.420 nan 0.000 0.215 497 P C 1.445 178.755 177.300 0.017 0.000 1.163 497 P CA 1.511 64.613 63.100 0.003 0.000 0.894 497 P CB -0.017 31.678 31.700 -0.010 0.000 0.791 498 G N 0.275 109.081 108.800 0.010 0.000 2.547 498 G HA2 -0.278 3.684 3.960 0.003 0.000 0.221 498 G HA3 -0.278 3.684 3.960 0.003 0.000 0.221 498 G C 1.575 176.490 174.900 0.024 0.000 1.140 498 G CA 1.106 46.215 45.100 0.014 0.000 0.760 498 G HN 0.324 nan 8.290 nan 0.000 0.583 499 L N 0.683 121.922 121.223 0.027 0.000 2.209 499 L HA 0.458 4.800 4.340 0.003 0.000 0.207 499 L C 2.894 179.792 176.870 0.048 0.000 1.094 499 L CA 1.705 56.565 54.840 0.033 0.000 0.790 499 L CB -0.415 41.660 42.059 0.027 0.000 0.932 499 L HN 0.184 nan 8.230 nan 0.000 0.447 500 A N -0.902 121.963 122.820 0.075 0.000 2.015 500 A HA -0.172 4.150 4.320 0.003 0.000 0.219 500 A C 2.230 179.892 177.584 0.131 0.000 1.163 500 A CA 1.527 53.657 52.037 0.154 0.000 0.646 500 A CB -0.445 18.641 19.000 0.143 0.000 0.806 500 A HN 0.601 nan 8.150 nan 0.000 0.448 501 E N 0.143 120.384 120.200 0.069 0.000 2.014 501 E HA -0.123 4.229 4.350 0.003 0.000 0.190 501 E C 1.938 178.551 176.600 0.022 0.000 0.980 501 E CA 1.175 57.603 56.400 0.048 0.000 0.807 501 E CB -0.286 29.433 29.700 0.033 0.000 0.770 501 E HN 0.655 nan 8.360 nan 0.000 0.451 502 I N -0.262 120.326 120.570 0.030 0.000 2.194 502 I HA -0.261 3.912 4.170 0.003 0.000 0.246 502 I C 2.231 178.348 176.117 -0.000 0.000 1.093 502 I CA 1.506 62.833 61.300 0.044 0.000 1.355 502 I CB -0.436 37.633 38.000 0.115 0.000 1.046 502 I HN 0.132 nan 8.210 nan 0.000 0.413 503 I N 1.421 121.974 120.570 -0.027 0.000 2.142 503 I HA -0.275 3.897 4.170 0.003 0.000 0.240 503 I C 2.894 178.813 176.117 -0.329 0.000 1.078 503 I CA 1.601 62.778 61.300 -0.205 0.000 1.343 503 I CB -0.595 37.195 38.000 -0.349 0.000 1.046 503 I HN 0.394 nan 8.210 nan 0.000 0.405 504 A N 0.632 123.324 122.820 -0.213 0.000 1.930 504 A HA -0.198 4.124 4.320 0.003 0.000 0.217 504 A C 2.097 179.640 177.584 -0.069 0.000 1.175 504 A CA 1.471 53.461 52.037 -0.079 0.000 0.627 504 A CB -0.622 18.486 19.000 0.180 0.000 0.815 504 A HN 0.514 nan 8.150 nan 0.000 0.443 505 E N -0.278 119.879 120.200 -0.072 0.000 2.209 505 E HA -0.207 4.145 4.350 0.003 0.000 0.196 505 E C 2.025 178.547 176.600 -0.131 0.000 0.993 505 E CA 0.961 57.318 56.400 -0.071 0.000 0.819 505 E CB -0.131 29.535 29.700 -0.057 0.000 0.745 505 E HN 0.438 nan 8.360 nan 0.000 0.477 506 R N 0.738 121.084 120.500 -0.257 0.000 2.043 506 R HA 0.043 4.385 4.340 0.003 0.000 0.221 506 R C 2.513 178.664 176.300 -0.248 0.000 1.196 506 R CA 1.127 57.000 56.100 -0.378 0.000 0.949 506 R CB -0.792 28.968 30.300 -0.900 0.000 0.838 506 R HN 0.313 nan 8.270 nan 0.000 0.446 507 I N -1.904 118.508 120.570 -0.263 0.000 3.928 507 I HA 0.423 4.595 4.170 0.003 0.000 0.335 507 I C 0.253 176.355 176.117 -0.025 0.000 1.325 507 I CA 0.151 61.374 61.300 -0.129 0.000 1.107 507 I CB 0.332 38.245 38.000 -0.145 0.000 1.014 507 I HN 0.250 nan 8.210 nan 0.000 0.400 508 G N 2.160 110.963 108.800 0.004 0.000 2.981 508 G HA2 -0.242 3.720 3.960 0.003 0.000 0.686 508 G HA3 -0.242 3.720 3.960 0.003 0.000 0.686 508 G C -0.474 174.571 174.900 0.241 0.000 1.068 508 G CA -0.092 45.063 45.100 0.092 0.000 0.806 508 G HN 0.748 nan 8.290 nan 0.000 0.568 509 E N 1.201 121.554 120.200 0.255 0.000 2.366 509 E HA 0.551 4.903 4.350 0.003 0.000 0.266 509 E C 0.803 177.440 176.600 0.061 0.000 1.051 509 E CA 0.285 56.796 56.400 0.185 0.000 0.884 509 E CB 0.642 30.334 29.700 -0.014 0.000 1.006 509 E HN 0.794 nan 8.360 nan 0.000 0.417 510 E N 2.141 122.320 120.200 -0.035 0.000 1.096 510 E HA -0.183 4.169 4.350 0.003 0.000 0.201 510 E C 0.699 177.263 176.600 -0.060 0.000 0.843 510 E CA 0.486 56.866 56.400 -0.034 0.000 0.827 510 E CB -0.971 28.747 29.700 0.030 0.000 4.842 510 E HN 0.710 nan 8.360 nan 0.000 0.562 511 Y N 0.785 121.081 120.300 -0.007 0.000 2.241 511 Y HA -0.151 4.402 4.550 0.004 0.000 0.286 511 Y C 1.710 177.589 175.900 -0.035 0.000 1.166 511 Y CA 1.430 59.522 58.100 -0.013 0.000 1.203 511 Y CB -0.409 38.045 38.460 -0.010 0.000 0.977 511 Y HN 0.074 nan 8.280 nan 0.000 0.529 512 I N 0.060 120.103 120.570 -0.879 0.000 2.394 512 I HA -0.209 3.963 4.170 0.003 0.000 0.251 512 I C 2.435 178.335 176.117 -0.362 0.000 1.136 512 I CA 1.582 62.484 61.300 -0.662 0.000 1.425 512 I CB -1.207 36.300 38.000 -0.821 0.000 1.079 512 I HN 0.437 nan 8.210 nan 0.000 0.425 513 S N -0.286 115.295 115.700 -0.198 0.000 2.517 513 S HA 0.015 4.487 4.470 0.003 0.000 0.214 513 S C 0.246 174.821 174.600 -0.041 0.000 0.991 513 S CA -0.156 58.006 58.200 -0.064 0.000 0.906 513 S CB -0.129 63.085 63.200 0.024 0.000 0.789 513 S HN 0.605 nan 8.310 nan 0.000 0.513 514 D N 0.485 120.860 120.400 -0.042 0.000 2.296 514 D HA -0.003 4.639 4.640 0.003 0.000 0.224 514 D C 0.072 176.381 176.300 0.015 0.000 1.324 514 D CA -0.467 53.526 54.000 -0.013 0.000 0.940 514 D CB 0.037 40.836 40.800 -0.002 0.000 1.492 514 D HN 0.055 nan 8.370 nan 0.000 0.531 515 L N 1.692 122.927 121.223 0.019 0.000 2.642 515 L HA -0.046 4.296 4.340 0.003 0.000 0.236 515 L C 1.424 178.338 176.870 0.073 0.000 1.169 515 L CA 1.337 56.218 54.840 0.068 0.000 0.851 515 L CB -0.281 41.818 42.059 0.067 0.000 0.968 515 L HN 0.417 nan 8.230 nan 0.000 0.453 516 D N -1.032 119.392 120.400 0.041 0.000 2.349 516 D HA -0.098 4.544 4.640 0.003 0.000 0.224 516 D C 1.625 177.956 176.300 0.052 0.000 1.029 516 D CA 0.284 54.305 54.000 0.034 0.000 0.879 516 D CB 0.318 41.119 40.800 0.003 0.000 0.906 516 D HN 0.509 nan 8.370 nan 0.000 0.528 517 Q N -0.087 119.758 119.800 0.075 0.000 2.437 517 Q HA -0.080 4.262 4.340 0.003 0.000 0.210 517 Q C 1.606 177.659 176.000 0.088 0.000 0.972 517 Q CA 0.336 56.191 55.803 0.088 0.000 0.903 517 Q CB 0.270 29.080 28.738 0.119 0.000 0.967 517 Q HN 0.259 nan 8.270 nan 0.000 0.486 518 L N -0.482 120.798 121.223 0.095 0.000 2.376 518 L HA -0.096 4.247 4.340 0.003 0.000 0.219 518 L C 2.072 178.974 176.870 0.053 0.000 1.133 518 L CA 0.977 55.850 54.840 0.056 0.000 0.816 518 L CB -0.200 41.911 42.059 0.085 0.000 0.933 518 L HN -0.042 nan 8.230 nan 0.000 0.449 519 R N -0.099 120.436 120.500 0.059 0.000 2.293 519 R HA -0.111 4.231 4.340 0.003 0.000 0.219 519 R C 2.023 178.363 176.300 0.065 0.000 1.091 519 R CA 0.918 57.053 56.100 0.059 0.000 1.004 519 R CB -0.183 30.143 30.300 0.044 0.000 0.865 519 R HN 0.289 nan 8.270 nan 0.000 0.469 520 K N -0.406 120.031 120.400 0.062 0.000 2.032 520 K HA -0.153 4.169 4.320 0.003 0.000 0.209 520 K C 1.641 178.341 176.600 0.165 0.000 1.048 520 K CA 1.391 57.728 56.287 0.083 0.000 0.927 520 K CB -0.216 32.317 32.500 0.055 0.000 0.712 520 K HN 0.058 nan 8.250 nan 0.000 0.441 521 L N 0.938 122.229 121.223 0.114 0.000 2.129 521 L HA -0.199 4.143 4.340 0.003 0.000 0.212 521 L C 2.149 179.239 176.870 0.367 0.000 1.087 521 L CA 1.111 56.052 54.840 0.168 0.000 0.757 521 L CB -0.675 41.451 42.059 0.111 0.000 0.896 521 L HN 0.127 nan 8.230 nan 0.000 0.434 522 L N -0.340 121.012 121.223 0.214 0.000 2.263 522 L HA -0.204 4.138 4.340 0.003 0.000 0.216 522 L C 2.138 179.083 176.870 0.126 0.000 1.111 522 L CA 1.647 56.581 54.840 0.157 0.000 0.773 522 L CB -0.615 41.500 42.059 0.095 0.000 0.906 522 L HN 0.465 nan 8.230 nan 0.000 0.439 523 S N -2.328 113.432 115.700 0.101 0.000 2.767 523 S HA 0.087 4.559 4.470 0.003 0.000 0.253 523 S C 0.164 174.549 174.600 -0.358 0.000 1.082 523 S CA -0.256 57.880 58.200 -0.107 0.000 1.148 523 S CB -0.585 62.508 63.200 -0.178 0.000 0.808 523 S HN 0.449 nan 8.310 nan 0.000 0.466 524 Y N -1.870 118.462 120.300 0.054 0.000 2.858 524 Y HA 0.333 4.885 4.550 0.003 0.000 0.270 524 Y C 1.536 177.556 175.900 0.199 0.000 1.063 524 Y CA -0.845 57.319 58.100 0.106 0.000 1.263 524 Y CB -0.119 38.382 38.460 0.067 0.000 1.378 524 Y HN 0.206 nan 8.280 nan 0.000 0.578 525 V N 0.541 120.599 119.914 0.240 0.000 2.546 525 V HA -0.277 3.845 4.120 0.003 0.000 0.254 525 V C 1.306 177.475 176.094 0.124 0.000 1.076 525 V CA 2.474 64.873 62.300 0.165 0.000 1.087 525 V CB -0.072 31.808 31.823 0.095 0.000 0.674 525 V HN 0.421 nan 8.190 nan 0.000 0.470 526 D N -0.898 119.562 120.400 0.100 0.000 2.395 526 D HA 0.053 4.695 4.640 0.003 0.000 0.213 526 D C 0.422 176.777 176.300 0.092 0.000 1.110 526 D CA 0.013 54.058 54.000 0.075 0.000 0.835 526 D CB 0.227 41.048 40.800 0.035 0.000 0.965 526 D HN 0.518 nan 8.370 nan 0.000 0.505 527 D N 1.781 122.273 120.400 0.154 0.000 2.348 527 D HA -0.065 4.577 4.640 0.003 0.000 0.259 527 D C 0.138 176.531 176.300 0.155 0.000 1.296 527 D CA 0.032 54.124 54.000 0.153 0.000 0.931 527 D CB 0.493 41.440 40.800 0.245 0.000 1.067 527 D HN -0.285 nan 8.370 nan 0.000 0.503 528 E N 3.476 123.734 120.200 0.096 0.000 1.814 528 E HA 0.330 4.682 4.350 0.003 0.000 0.264 528 E C -0.380 176.269 176.600 0.080 0.000 1.179 528 E CA -0.131 56.318 56.400 0.081 0.000 0.972 528 E CB 0.549 30.279 29.700 0.050 0.000 1.077 528 E HN 0.633 nan 8.360 nan 0.000 0.417 529 A N 3.933 126.822 122.820 0.115 0.000 3.036 529 A HA -0.074 4.248 4.320 0.003 0.000 0.120 529 A C 1.051 178.748 177.584 0.189 0.000 1.402 529 A CA -0.016 52.095 52.037 0.122 0.000 1.949 529 A CB -0.878 18.196 19.000 0.122 0.000 1.896 529 A HN 0.355 nan 8.150 nan 0.000 0.832 530 F N 1.984 121.965 119.950 0.051 0.000 2.115 530 F HA -0.156 4.373 4.527 0.003 0.000 0.300 530 F C 2.002 177.819 175.800 0.030 0.000 1.092 530 F CA 2.011 60.026 58.000 0.026 0.000 1.245 530 F CB -0.464 38.563 39.000 0.045 0.000 0.995 530 F HN 0.274 nan 8.300 nan 0.000 0.481 531 I N 0.553 121.186 120.570 0.104 0.000 2.264 531 I HA -0.340 3.832 4.170 0.003 0.000 0.248 531 I C 2.513 178.618 176.117 -0.020 0.000 1.111 531 I CA 1.839 63.131 61.300 -0.014 0.000 1.382 531 I CB -0.451 37.576 38.000 0.046 0.000 1.060 531 I HN 0.192 nan 8.210 nan 0.000 0.418 532 R N 0.020 120.531 120.500 0.018 0.000 2.240 532 R HA -0.016 4.326 4.340 0.003 0.000 0.203 532 R C 1.269 177.568 176.300 -0.001 0.000 1.011 532 R CA 0.800 56.904 56.100 0.006 0.000 1.007 532 R CB -0.375 29.936 30.300 0.018 0.000 0.911 532 R HN 0.268 nan 8.270 nan 0.000 0.468 533 D N 1.252 121.660 120.400 0.013 0.000 2.123 533 D HA -0.065 4.577 4.640 0.003 0.000 0.200 533 D C 2.093 178.358 176.300 -0.058 0.000 0.976 533 D CA 1.164 55.177 54.000 0.021 0.000 0.831 533 D CB 0.087 40.968 40.800 0.136 0.000 0.974 533 D HN 0.076 nan 8.370 nan 0.000 0.469 534 V N 1.836 121.626 119.914 -0.207 0.000 2.295 534 V HA -0.214 3.908 4.120 0.003 0.000 0.246 534 V C 2.612 178.657 176.094 -0.082 0.000 1.049 534 V CA 1.888 64.049 62.300 -0.231 0.000 1.024 534 V CB -0.860 30.710 31.823 -0.422 0.000 0.648 534 V HN 0.153 nan 8.190 nan 0.000 0.447 535 A N -0.404 122.387 122.820 -0.049 0.000 1.969 535 A HA -0.215 4.107 4.320 0.003 0.000 0.218 535 A C 2.205 179.776 177.584 -0.021 0.000 1.169 535 A CA 2.006 54.039 52.037 -0.007 0.000 0.635 535 A CB -0.454 18.544 19.000 -0.003 0.000 0.810 535 A HN 0.428 nan 8.150 nan 0.000 0.445 536 K N -0.305 120.082 120.400 -0.022 0.000 2.097 536 K HA -0.017 4.305 4.320 0.003 0.000 0.205 536 K C 1.738 178.329 176.600 -0.015 0.000 1.050 536 K CA 1.320 57.597 56.287 -0.018 0.000 0.938 536 K CB -0.549 31.947 32.500 -0.008 0.000 0.718 536 K HN 0.225 nan 8.250 nan 0.000 0.442 537 V N 0.561 120.467 119.914 -0.012 0.000 2.261 537 V HA -0.239 3.883 4.120 0.003 0.000 0.246 537 V C 2.192 178.282 176.094 -0.007 0.000 1.047 537 V CA 1.981 64.278 62.300 -0.006 0.000 1.015 537 V CB -0.401 31.419 31.823 -0.005 0.000 0.642 537 V HN 0.280 nan 8.190 nan 0.000 0.446 538 K N -0.219 120.178 120.400 -0.006 0.000 2.211 538 K HA -0.158 4.164 4.320 0.003 0.000 0.203 538 K C 2.157 178.725 176.600 -0.054 0.000 1.050 538 K CA 1.317 57.598 56.287 -0.011 0.000 0.945 538 K CB -0.229 32.282 32.500 0.018 0.000 0.732 538 K HN 0.530 nan 8.250 nan 0.000 0.451 539 Q N -0.125 119.640 119.800 -0.058 0.000 2.050 539 Q HA -0.188 4.154 4.340 0.003 0.000 0.202 539 Q C 1.941 177.913 176.000 -0.046 0.000 0.980 539 Q CA 1.897 57.655 55.803 -0.074 0.000 0.840 539 Q CB -0.067 28.635 28.738 -0.059 0.000 0.898 539 Q HN 0.371 nan 8.270 nan 0.000 0.424 540 E N 0.466 120.653 120.200 -0.021 0.000 2.051 540 E HA -0.168 4.184 4.350 0.003 0.000 0.192 540 E C 1.619 178.228 176.600 0.017 0.000 0.991 540 E CA 1.304 57.703 56.400 -0.002 0.000 0.799 540 E CB 0.043 29.744 29.700 0.001 0.000 0.748 540 E HN 0.338 nan 8.360 nan 0.000 0.449 541 N N 0.224 118.933 118.700 0.015 0.000 2.025 541 N HA -0.185 4.557 4.740 0.003 0.000 0.194 541 N C 1.607 177.177 175.510 0.100 0.000 1.044 541 N CA 1.294 54.367 53.050 0.039 0.000 0.851 541 N CB -0.056 38.443 38.487 0.020 0.000 1.036 541 N HN 0.001 nan 8.380 nan 0.000 0.422 542 K N 0.668 121.108 120.400 0.066 0.000 2.127 542 K HA -0.140 4.182 4.320 0.003 0.000 0.208 542 K C 1.848 178.561 176.600 0.188 0.000 1.047 542 K CA 0.868 57.223 56.287 0.114 0.000 0.927 542 K CB -0.126 32.196 32.500 -0.296 0.000 0.716 542 K HN 0.186 nan 8.250 nan 0.000 0.450 543 L N 1.307 122.582 121.223 0.086 0.000 2.156 543 L HA -0.115 4.227 4.340 0.003 0.000 0.208 543 L C 1.655 178.593 176.870 0.113 0.000 1.095 543 L CA 1.719 56.609 54.840 0.083 0.000 0.770 543 L CB -0.264 41.813 42.059 0.031 0.000 0.914 543 L HN 0.165 nan 8.230 nan 0.000 0.439 544 K N -1.566 118.910 120.400 0.127 0.000 2.228 544 K HA -0.153 4.169 4.320 0.003 0.000 0.202 544 K C 1.855 178.597 176.600 0.237 0.000 1.051 544 K CA 0.833 57.203 56.287 0.137 0.000 0.960 544 K CB -0.053 32.511 32.500 0.107 0.000 0.743 544 K HN 0.075 nan 8.250 nan 0.000 0.458 545 F N 1.648 121.665 119.950 0.112 0.000 2.270 545 F HA 0.098 4.627 4.527 0.003 0.000 0.295 545 F C 2.104 178.005 175.800 0.168 0.000 1.087 545 F CA 0.378 58.460 58.000 0.137 0.000 1.365 545 F CB -0.352 38.737 39.000 0.148 0.000 1.056 545 F HN -0.070 nan 8.300 nan 0.000 0.506 546 A N 0.321 123.249 122.820 0.181 0.000 1.933 546 A HA -0.045 4.278 4.320 0.003 0.000 0.218 546 A C 2.411 179.978 177.584 -0.028 0.000 1.175 546 A CA 1.678 53.730 52.037 0.025 0.000 0.628 546 A CB -1.442 17.639 19.000 0.135 0.000 0.814 546 A HN 0.399 nan 8.150 nan 0.000 0.444 547 A N -1.708 121.138 122.820 0.043 0.000 2.015 547 A HA -0.082 4.240 4.320 0.003 0.000 0.219 547 A C 2.073 179.667 177.584 0.017 0.000 1.163 547 A CA 1.546 53.599 52.037 0.027 0.000 0.646 547 A CB -0.683 18.353 19.000 0.059 0.000 0.806 547 A HN 0.768 nan 8.150 nan 0.000 0.448 548 Y N -0.298 119.943 120.300 -0.098 0.000 2.314 548 Y HA -0.016 4.536 4.550 0.003 0.000 0.293 548 Y C 1.676 177.421 175.900 -0.259 0.000 1.129 548 Y CA 1.350 59.358 58.100 -0.153 0.000 1.201 548 Y CB -0.113 38.292 38.460 -0.093 0.000 0.999 548 Y HN 0.180 nan 8.280 nan 0.000 0.541 549 L N 0.340 121.391 121.223 -0.287 0.000 2.240 549 L HA -0.061 4.281 4.340 0.003 0.000 0.211 549 L C 2.148 178.870 176.870 -0.246 0.000 1.106 549 L CA 1.710 56.341 54.840 -0.348 0.000 0.793 549 L CB -0.482 41.369 42.059 -0.347 0.000 0.927 549 L HN 0.250 nan 8.230 nan 0.000 0.446 550 E N -1.299 118.799 120.200 -0.170 0.000 2.474 550 E HA -0.027 4.325 4.350 0.003 0.000 0.194 550 E C 2.188 178.705 176.600 -0.139 0.000 1.041 550 E CA 0.043 56.376 56.400 -0.112 0.000 0.874 550 E CB 0.205 29.876 29.700 -0.048 0.000 0.914 550 E HN 0.166 nan 8.360 nan 0.000 0.498 551 R N 0.117 120.489 120.500 -0.212 0.000 2.140 551 R HA 0.084 4.426 4.340 0.003 0.000 0.213 551 R C -0.189 175.931 176.300 -0.300 0.000 1.059 551 R CA 0.781 56.757 56.100 -0.207 0.000 1.000 551 R CB 0.472 30.675 30.300 -0.161 0.000 0.910 551 R HN -0.023 nan 8.270 nan 0.000 0.455 552 E N 0.030 119.884 120.200 -0.576 0.000 2.460 552 E HA 0.264 4.616 4.350 0.003 0.000 0.249 552 E C -1.596 174.375 176.600 -1.049 0.000 0.962 552 E CA -0.392 55.583 56.400 -0.708 0.000 0.787 552 E CB 0.695 29.878 29.700 -0.862 0.000 1.341 552 E HN 0.006 nan 8.360 nan 0.000 0.407 553 Y N -0.828 119.330 120.300 -0.237 0.000 2.509 553 Y HA -0.194 4.358 4.550 0.003 0.000 0.287 553 Y C -0.122 175.680 175.900 -0.164 0.000 1.674 553 Y CA -0.657 57.347 58.100 -0.160 0.000 1.427 553 Y CB -1.076 37.296 38.460 -0.146 0.000 2.061 553 Y HN 0.422 nan 8.280 nan 0.000 0.279 554 K N -1.305 119.115 120.400 0.034 0.000 2.466 554 K HA 1.000 5.322 4.320 0.003 0.000 0.260 554 K C -1.019 175.575 176.600 -0.010 0.000 1.011 554 K CA -0.134 56.142 56.287 -0.018 0.000 0.871 554 K CB 2.502 35.001 32.500 -0.002 0.000 1.404 554 K HN 0.587 nan 8.250 nan 0.000 0.450 555 V N -1.565 118.345 119.914 -0.007 0.000 5.138 555 V HA 0.180 4.302 4.120 0.003 0.000 0.125 555 V C -0.617 175.525 176.094 0.081 0.000 1.240 555 V CA 0.395 62.700 62.300 0.008 0.000 0.974 555 V CB -0.621 31.169 31.823 -0.055 0.000 1.164 555 V HN 1.086 nan 8.190 nan 0.000 0.660 556 H N 1.206 120.259 119.070 -0.029 0.000 3.451 556 H HA -0.086 4.472 4.556 0.003 0.000 0.378 556 H C -1.405 173.917 175.328 -0.009 0.000 1.211 556 H CA 0.462 56.502 56.048 -0.012 0.000 1.243 556 H CB -1.095 28.668 29.762 0.000 0.000 1.520 556 H HN 0.467 nan 8.280 nan 0.000 0.422 557 I N 3.969 124.339 120.570 -0.334 0.000 2.377 557 I HA 0.111 4.283 4.170 0.003 0.000 0.293 557 I C 0.828 176.789 176.117 -0.260 0.000 0.987 557 I CA -0.601 60.567 61.300 -0.220 0.000 1.185 557 I CB 1.293 39.208 38.000 -0.140 0.000 1.341 557 I HN 0.409 nan 8.210 nan 0.000 0.455 558 N N 8.833 127.457 118.700 -0.127 0.000 2.458 558 N HA 0.206 4.948 4.740 0.003 0.000 0.270 558 N C -1.926 173.633 175.510 0.083 0.000 1.102 558 N CA -2.045 50.980 53.050 -0.042 0.000 0.967 558 N CB 1.232 39.736 38.487 0.027 0.000 1.078 558 N HN 0.334 nan 8.380 nan 0.000 0.471 559 P HA 0.154 nan 4.420 nan 0.000 0.261 559 P C -0.510 176.718 177.300 -0.120 0.000 1.268 559 P CA 0.301 63.396 63.100 -0.008 0.000 0.833 559 P CB 0.384 32.083 31.700 -0.002 0.000 1.231 560 N N -0.309 118.359 118.700 -0.054 0.000 2.230 560 N HA 0.012 4.754 4.740 0.003 0.000 0.202 560 N C 0.400 175.908 175.510 -0.004 0.000 1.119 560 N CA -0.045 52.968 53.050 -0.062 0.000 0.851 560 N CB -0.012 38.452 38.487 -0.038 0.000 0.990 560 N HN 0.131 nan 8.380 nan 0.000 0.497 561 S N 0.018 115.727 115.700 0.015 0.000 2.593 561 S HA 0.148 4.621 4.470 0.003 0.000 0.269 561 S C 0.214 174.799 174.600 -0.025 0.000 1.334 561 S CA -0.874 57.369 58.200 0.071 0.000 1.015 561 S CB 0.930 64.229 63.200 0.165 0.000 0.912 561 S HN 0.279 nan 8.310 nan 0.000 0.541 562 L N 2.661 123.833 121.223 -0.085 0.000 2.325 562 L HA 0.347 4.689 4.340 0.003 0.000 0.284 562 L C -1.124 175.686 176.870 -0.100 0.000 1.089 562 L CA -0.680 53.880 54.840 -0.467 0.000 0.836 562 L CB -0.357 41.365 42.059 -0.562 0.000 1.184 562 L HN 0.593 nan 8.230 nan 0.000 0.444 563 F N 3.381 123.184 119.950 -0.244 0.000 2.438 563 F HA 0.172 4.701 4.527 0.003 0.000 0.360 563 F C 0.558 176.276 175.800 -0.136 0.000 1.118 563 F CA -0.865 57.063 58.000 -0.120 0.000 1.164 563 F CB 0.349 39.332 39.000 -0.028 0.000 1.131 563 F HN 0.449 nan 8.300 nan 0.000 0.527 564 D N 3.820 124.241 120.400 0.036 0.000 2.380 564 D HA 0.326 4.968 4.640 0.003 0.000 0.230 564 D C -0.891 175.364 176.300 -0.075 0.000 1.154 564 D CA 0.081 54.043 54.000 -0.063 0.000 0.859 564 D CB 1.005 41.763 40.800 -0.071 0.000 1.045 564 D HN 0.306 nan 8.370 nan 0.000 0.495 565 V N 2.532 122.375 119.914 -0.118 0.000 2.876 565 V HA 0.629 4.752 4.120 0.003 0.000 0.312 565 V C -1.530 174.446 176.094 -0.196 0.000 1.085 565 V CA -0.700 61.535 62.300 -0.109 0.000 0.945 565 V CB 2.062 33.902 31.823 0.028 0.000 1.017 565 V HN 0.498 nan 8.190 nan 0.000 0.428 566 Q N 3.899 123.613 119.800 -0.143 0.000 2.414 566 Q HA 0.591 4.933 4.340 0.003 0.000 0.256 566 Q C -1.619 174.279 176.000 -0.169 0.000 0.974 566 Q CA -0.654 55.059 55.803 -0.149 0.000 0.723 566 Q CB 1.964 30.623 28.738 -0.130 0.000 1.281 566 Q HN 1.103 nan 8.270 nan 0.000 0.470 567 V N 1.527 121.338 119.914 -0.171 0.000 2.239 567 V HA 0.609 4.731 4.120 0.003 0.000 0.267 567 V C -0.456 175.406 176.094 -0.387 0.000 1.056 567 V CA -0.634 61.372 62.300 -0.491 0.000 0.830 567 V CB 0.422 31.683 31.823 -0.936 0.000 1.090 567 V HN 0.538 nan 8.190 nan 0.000 0.459 568 K N 2.186 122.437 120.400 -0.248 0.000 2.443 568 K HA 0.553 4.875 4.320 0.003 0.000 0.251 568 K C -0.388 176.165 176.600 -0.078 0.000 0.972 568 K CA -1.102 55.111 56.287 -0.124 0.000 0.833 568 K CB 3.081 35.511 32.500 -0.116 0.000 1.317 568 K HN 0.640 nan 8.250 nan 0.000 0.441 569 R N 1.899 122.389 120.500 -0.017 0.000 2.585 569 R HA -0.003 4.339 4.340 0.003 0.000 0.275 569 R C 0.461 176.762 176.300 0.002 0.000 1.018 569 R CA -0.041 56.079 56.100 0.033 0.000 1.072 569 R CB 0.304 30.643 30.300 0.066 0.000 0.953 569 R HN 0.453 nan 8.270 nan 0.000 0.419 570 I N 5.203 125.790 120.570 0.028 0.000 3.648 570 I HA -0.034 4.138 4.170 0.003 0.000 0.305 570 I C 0.820 176.877 176.117 -0.100 0.000 1.345 570 I CA 0.296 61.574 61.300 -0.037 0.000 1.325 570 I CB -2.069 35.922 38.000 -0.014 0.000 1.188 570 I HN 0.519 nan 8.210 nan 0.000 0.460 571 H N 1.763 120.763 119.070 -0.116 0.000 2.603 571 H HA 0.110 4.668 4.556 0.003 0.000 0.370 571 H C 0.956 176.189 175.328 -0.158 0.000 1.225 571 H CA 0.424 56.449 56.048 -0.040 0.000 1.410 571 H CB 1.258 31.004 29.762 -0.026 0.000 1.495 571 H HN 0.269 nan 8.280 nan 0.000 0.602 572 E N 1.592 121.968 120.200 0.294 0.000 2.085 572 E HA -0.248 4.104 4.350 0.003 0.000 0.194 572 E C 1.480 177.991 176.600 -0.147 0.000 0.994 572 E CA 1.787 58.291 56.400 0.173 0.000 0.801 572 E CB -0.187 29.736 29.700 0.372 0.000 0.743 572 E HN 0.683 nan 8.360 nan 0.000 0.453 573 Y N -0.396 119.560 120.300 -0.573 0.000 2.546 573 Y HA 0.253 4.805 4.550 0.003 0.000 0.287 573 Y C 1.637 177.313 175.900 -0.373 0.000 1.158 573 Y CA 0.213 57.773 58.100 -0.900 0.000 1.307 573 Y CB 0.106 37.698 38.460 -1.446 0.000 1.036 573 Y HN -0.225 nan 8.280 nan 0.000 0.532 574 K N 1.549 121.447 120.400 -0.837 0.000 2.296 574 K HA 0.054 4.376 4.320 0.003 0.000 0.200 574 K C 0.281 176.715 176.600 -0.278 0.000 1.048 574 K CA 0.462 56.410 56.287 -0.564 0.000 0.966 574 K CB -0.128 32.063 32.500 -0.514 0.000 0.754 574 K HN 0.379 nan 8.250 nan 0.000 0.466 575 R N 0.333 120.701 120.500 -0.219 0.000 3.332 575 R HA -0.152 4.190 4.340 0.003 0.000 0.263 575 R C -0.044 176.180 176.300 -0.126 0.000 1.053 575 R CA 0.651 56.670 56.100 -0.136 0.000 0.705 575 R CB -1.776 28.457 30.300 -0.113 0.000 1.166 575 R HN 0.327 nan 8.270 nan 0.000 0.427 576 Q N -0.130 119.602 119.800 -0.113 0.000 2.515 576 Q HA -0.073 4.269 4.340 0.003 0.000 0.212 576 Q C 1.338 177.288 176.000 -0.083 0.000 0.970 576 Q CA 0.892 56.637 55.803 -0.096 0.000 0.941 576 Q CB 0.161 28.852 28.738 -0.079 0.000 0.998 576 Q HN 0.574 nan 8.270 nan 0.000 0.518 577 L N -0.533 120.649 121.223 -0.068 0.000 2.316 577 L HA -0.026 4.316 4.340 0.003 0.000 0.207 577 L C 1.978 178.841 176.870 -0.011 0.000 1.070 577 L CA 0.094 54.913 54.840 -0.034 0.000 0.820 577 L CB -0.328 41.724 42.059 -0.011 0.000 0.992 577 L HN 0.113 nan 8.230 nan 0.000 0.466 578 L N 0.404 121.593 121.223 -0.057 0.000 2.079 578 L HA -0.248 4.094 4.340 0.003 0.000 0.210 578 L C 2.036 178.774 176.870 -0.220 0.000 1.081 578 L CA 1.909 56.673 54.840 -0.127 0.000 0.752 578 L CB -0.881 41.017 42.059 -0.268 0.000 0.896 578 L HN 0.383 nan 8.230 nan 0.000 0.433 579 N N -1.852 116.726 118.700 -0.202 0.000 2.216 579 N HA -0.191 4.551 4.740 0.003 0.000 0.183 579 N C 1.789 177.334 175.510 0.058 0.000 1.017 579 N CA 1.287 54.301 53.050 -0.060 0.000 0.861 579 N CB -0.088 38.358 38.487 -0.067 0.000 0.986 579 N HN 0.465 nan 8.380 nan 0.000 0.428 580 C N 0.595 119.896 119.300 0.001 0.000 2.448 580 C HA 0.087 4.549 4.460 0.003 0.000 0.280 580 C C 2.514 177.531 174.990 0.046 0.000 1.398 580 C CA -0.019 58.986 59.018 -0.022 0.000 1.774 580 C CB -1.158 26.524 27.740 -0.096 0.000 1.888 580 C HN 0.493 nan 8.230 nan 0.000 0.519 581 L N -0.228 121.080 121.223 0.141 0.000 2.005 581 L HA -0.170 4.172 4.340 0.003 0.000 0.207 581 L C 2.812 179.870 176.870 0.313 0.000 1.072 581 L CA 1.693 56.694 54.840 0.269 0.000 0.744 581 L CB -1.026 41.287 42.059 0.424 0.000 0.895 581 L HN 0.509 nan 8.230 nan 0.000 0.433 582 H N -0.259 118.935 119.070 0.208 0.000 2.491 582 H HA -0.085 4.473 4.556 0.003 0.000 0.290 582 H C 1.984 177.347 175.328 0.058 0.000 1.050 582 H CA 1.301 57.421 56.048 0.120 0.000 1.309 582 H CB 0.470 30.329 29.762 0.161 0.000 1.392 582 H HN 0.123 nan 8.280 nan 0.000 0.554 583 V N 1.344 121.289 119.914 0.052 0.000 2.488 583 V HA -0.180 3.942 4.120 0.003 0.000 0.246 583 V C 2.639 178.703 176.094 -0.050 0.000 1.046 583 V CA 1.331 63.599 62.300 -0.054 0.000 1.053 583 V CB -0.241 31.538 31.823 -0.073 0.000 0.679 583 V HN 0.378 nan 8.190 nan 0.000 0.458 584 I N -0.524 120.047 120.570 0.002 0.000 2.617 584 I HA -0.098 4.074 4.170 0.003 0.000 0.256 584 I C 2.380 178.598 176.117 0.168 0.000 1.167 584 I CA 0.945 62.324 61.300 0.131 0.000 1.469 584 I CB -1.109 36.996 38.000 0.176 0.000 1.098 584 I HN 0.233 nan 8.210 nan 0.000 0.436 585 T N 2.345 116.955 114.554 0.093 0.000 2.555 585 T HA -0.164 4.188 4.350 0.003 0.000 0.264 585 T C 1.963 176.639 174.700 -0.041 0.000 1.083 585 T CA 1.447 63.577 62.100 0.049 0.000 1.179 585 T CB -0.341 68.548 68.868 0.034 0.000 0.863 585 T HN 0.093 nan 8.240 nan 0.000 0.412 586 L N 0.373 121.493 121.223 -0.172 0.000 2.051 586 L HA -0.135 4.207 4.340 0.003 0.000 0.214 586 L C 2.184 179.043 176.870 -0.018 0.000 1.076 586 L CA 1.699 56.447 54.840 -0.153 0.000 0.758 586 L CB -1.552 40.386 42.059 -0.203 0.000 0.890 586 L HN 0.385 nan 8.230 nan 0.000 0.433 587 Y N 0.937 121.188 120.300 -0.081 0.000 2.128 587 Y HA -0.251 4.301 4.550 0.003 0.000 0.284 587 Y C 2.442 178.357 175.900 0.025 0.000 1.154 587 Y CA 1.886 59.972 58.100 -0.023 0.000 1.149 587 Y CB -0.410 38.048 38.460 -0.004 0.000 0.976 587 Y HN 0.313 nan 8.280 nan 0.000 0.505 588 N N 0.242 118.842 118.700 -0.167 0.000 2.270 588 N HA -0.096 4.646 4.740 0.003 0.000 0.181 588 N C 1.943 177.346 175.510 -0.178 0.000 1.016 588 N CA 1.050 53.946 53.050 -0.256 0.000 0.870 588 N CB -0.315 38.140 38.487 -0.054 0.000 0.979 588 N HN 0.343 nan 8.380 nan 0.000 0.431 589 R N 0.938 121.372 120.500 -0.109 0.000 2.070 589 R HA 0.100 4.442 4.340 0.003 0.000 0.233 589 R C 2.201 178.440 176.300 -0.101 0.000 1.137 589 R CA 0.890 56.936 56.100 -0.090 0.000 0.945 589 R CB -0.402 29.853 30.300 -0.075 0.000 0.845 589 R HN 0.176 nan 8.270 nan 0.000 0.430 590 I N 0.900 121.409 120.570 -0.101 0.000 2.502 590 I HA -0.288 3.884 4.170 0.003 0.000 0.258 590 I C 1.621 177.681 176.117 -0.095 0.000 1.172 590 I CA 1.178 62.432 61.300 -0.078 0.000 1.430 590 I CB -0.141 37.840 38.000 -0.031 0.000 1.086 590 I HN 0.081 nan 8.210 nan 0.000 0.440 591 K N 0.495 120.787 120.400 -0.179 0.000 2.379 591 K HA -0.008 4.314 4.320 0.003 0.000 0.194 591 K C 1.839 178.365 176.600 -0.123 0.000 1.031 591 K CA 0.419 56.598 56.287 -0.180 0.000 1.037 591 K CB 0.176 32.462 32.500 -0.357 0.000 0.824 591 K HN 0.345 nan 8.250 nan 0.000 0.516 592 K N 1.279 121.613 120.400 -0.109 0.000 2.078 592 K HA 0.008 4.330 4.320 0.003 0.000 0.203 592 K C 0.049 176.616 176.600 -0.055 0.000 1.043 592 K CA 0.871 57.111 56.287 -0.078 0.000 0.960 592 K CB 0.461 32.916 32.500 -0.074 0.000 0.761 592 K HN -0.089 nan 8.250 nan 0.000 0.448 593 E N 1.735 121.904 120.200 -0.051 0.000 3.303 593 E HA 0.149 4.501 4.350 0.003 0.000 0.215 593 E C -2.259 174.323 176.600 -0.031 0.000 1.181 593 E CA -1.571 54.808 56.400 -0.034 0.000 0.998 593 E CB 1.631 31.313 29.700 -0.029 0.000 1.312 593 E HN 0.279 nan 8.360 nan 0.000 0.412 594 P HA -0.119 nan 4.420 nan 0.000 0.240 594 P C -0.233 177.063 177.300 -0.006 0.000 1.186 594 P CA 0.790 63.879 63.100 -0.019 0.000 0.755 594 P CB 0.239 31.932 31.700 -0.011 0.000 0.870 595 N N -0.293 118.407 118.700 -0.001 0.000 2.433 595 N HA 0.075 4.817 4.740 0.003 0.000 0.270 595 N C 0.187 175.713 175.510 0.026 0.000 1.354 595 N CA -0.179 52.880 53.050 0.016 0.000 0.889 595 N CB 0.902 39.398 38.487 0.015 0.000 1.285 595 N HN 0.105 nan 8.380 nan 0.000 0.503 596 K N 1.220 121.628 120.400 0.014 0.000 2.138 596 K HA 0.229 4.552 4.320 0.003 0.000 0.263 596 K C -0.695 175.927 176.600 0.036 0.000 0.965 596 K CA -0.658 55.648 56.287 0.031 0.000 0.868 596 K CB 1.291 33.792 32.500 0.001 0.000 1.083 596 K HN -0.037 nan 8.250 nan 0.000 0.443 597 F N 4.213 124.160 119.950 -0.006 0.000 2.543 597 F HA 0.276 4.804 4.527 0.003 0.000 0.375 597 F C -0.731 175.066 175.800 -0.005 0.000 1.075 597 F CA -0.103 57.893 58.000 -0.006 0.000 1.225 597 F CB 0.519 39.514 39.000 -0.009 0.000 1.099 597 F HN 0.074 nan 8.300 nan 0.000 0.561 598 V N 7.423 126.784 119.914 -0.921 0.000 2.709 598 V HA 0.425 4.547 4.120 0.003 0.000 0.308 598 V C -1.048 174.494 176.094 -0.920 0.000 1.062 598 V CA -0.918 60.861 62.300 -0.869 0.000 0.901 598 V CB 2.254 33.853 31.823 -0.372 0.000 1.003 598 V HN 0.652 nan 8.190 nan 0.000 0.425 599 V N 9.194 128.670 119.914 -0.729 0.000 2.450 599 V HA 0.191 4.313 4.120 0.003 0.000 0.281 599 V C -1.742 174.272 176.094 -0.132 0.000 1.019 599 V CA -0.823 61.320 62.300 -0.262 0.000 1.062 599 V CB 0.643 32.473 31.823 0.013 0.000 0.979 599 V HN 0.810 nan 8.190 nan 0.000 0.477 600 P HA 0.253 nan 4.420 nan 0.000 0.268 600 P C -0.597 176.706 177.300 0.005 0.000 1.205 600 P CA -0.187 62.901 63.100 -0.020 0.000 0.771 600 P CB 0.905 32.615 31.700 0.017 0.000 0.858 601 R N 0.862 121.359 120.500 -0.005 0.000 2.744 601 R HA 0.559 4.901 4.340 0.003 0.000 0.279 601 R C -0.451 175.862 176.300 0.020 0.000 0.977 601 R CA -0.685 55.414 56.100 -0.001 0.000 0.906 601 R CB 1.845 32.123 30.300 -0.038 0.000 1.197 601 R HN 0.316 nan 8.270 nan 0.000 0.463 602 T N 2.302 116.890 114.554 0.057 0.000 2.821 602 T HA 0.239 4.591 4.350 0.003 0.000 0.307 602 T C -0.090 174.558 174.700 -0.087 0.000 1.034 602 T CA -0.658 61.420 62.100 -0.037 0.000 0.953 602 T CB 0.770 69.554 68.868 -0.139 0.000 0.968 602 T HN 0.399 nan 8.240 nan 0.000 0.462 603 V N 2.516 122.375 119.914 -0.091 0.000 2.607 603 V HA 0.729 4.851 4.120 0.003 0.000 0.289 603 V C -0.258 175.764 176.094 -0.119 0.000 1.053 603 V CA -0.717 61.529 62.300 -0.090 0.000 0.996 603 V CB 1.055 32.837 31.823 -0.069 0.000 0.995 603 V HN 0.831 nan 8.190 nan 0.000 0.476 604 M N 5.299 124.830 119.600 -0.116 0.000 2.267 604 M HA 0.634 5.117 4.480 0.003 0.000 0.289 604 M C -1.258 174.955 176.300 -0.145 0.000 1.043 604 M CA -0.159 55.062 55.300 -0.132 0.000 0.928 604 M CB 2.355 34.890 32.600 -0.109 0.000 1.613 604 M HN 0.617 nan 8.290 nan 0.000 0.450 605 I N 1.718 122.171 120.570 -0.195 0.000 2.545 605 I HA 0.845 5.017 4.170 0.003 0.000 0.292 605 I C -0.025 175.798 176.117 -0.491 0.000 1.040 605 I CA -0.785 60.385 61.300 -0.217 0.000 1.068 605 I CB 2.377 40.339 38.000 -0.063 0.000 1.251 605 I HN 0.786 nan 8.210 nan 0.000 0.424 606 G N 2.846 111.359 108.800 -0.477 0.000 2.706 606 G HA2 0.817 4.779 3.960 0.003 0.000 0.297 606 G HA3 0.817 4.779 3.960 0.003 0.000 0.297 606 G C -0.927 173.765 174.900 -0.345 0.000 1.403 606 G CA -0.719 44.019 45.100 -0.605 0.000 0.954 606 G HN 1.022 nan 8.290 nan 0.000 0.500 607 G N -0.167 108.585 108.800 -0.081 0.000 2.350 607 G HA2 0.438 4.400 3.960 0.003 0.000 0.305 607 G HA3 0.438 4.400 3.960 0.003 0.000 0.305 607 G C -1.534 173.502 174.900 0.226 0.000 1.479 607 G CA -1.033 44.120 45.100 0.088 0.000 0.949 607 G HN 0.630 nan 8.290 nan 0.000 0.651 608 K N -0.296 120.229 120.400 0.208 0.000 2.203 608 K HA 0.702 5.024 4.320 0.003 0.000 0.251 608 K C 0.615 177.355 176.600 0.234 0.000 0.944 608 K CA -0.217 56.229 56.287 0.266 0.000 0.829 608 K CB 2.267 34.896 32.500 0.216 0.000 1.125 608 K HN 0.727 nan 8.250 nan 0.000 0.430 609 A N 1.913 124.877 122.820 0.239 0.000 2.387 609 A HA 0.483 4.805 4.320 0.003 0.000 0.234 609 A C 0.078 177.779 177.584 0.195 0.000 1.253 609 A CA 0.312 52.422 52.037 0.122 0.000 0.894 609 A CB -0.241 18.756 19.000 -0.004 0.000 0.963 609 A HN 0.865 nan 8.150 nan 0.000 0.508 610 A N 0.005 123.024 122.820 0.332 0.000 1.638 610 A HA 0.014 4.336 4.320 0.003 0.000 0.352 610 A C -2.309 175.401 177.584 0.209 0.000 0.754 610 A CA 0.049 52.290 52.037 0.339 0.000 0.472 610 A CB -1.657 17.542 19.000 0.332 0.000 2.090 610 A HN 0.319 nan 8.150 nan 0.000 0.281 611 P HA 0.256 nan 4.420 nan 0.000 0.261 611 P C 1.320 178.660 177.300 0.066 0.000 1.165 611 P CA 2.164 65.258 63.100 -0.011 0.000 0.759 611 P CB 0.312 31.971 31.700 -0.067 0.000 0.772 612 G N 1.985 110.812 108.800 0.045 0.000 2.180 612 G HA2 -0.305 3.657 3.960 0.003 0.000 0.263 612 G HA3 -0.305 3.657 3.960 0.003 0.000 0.263 612 G C -0.043 174.956 174.900 0.165 0.000 0.989 612 G CA -0.238 44.907 45.100 0.076 0.000 0.692 612 G HN 0.555 nan 8.290 nan 0.000 0.526 613 Y N 1.636 121.955 120.300 0.031 0.000 2.480 613 Y HA 0.380 4.932 4.550 0.003 0.000 0.341 613 Y C 1.332 177.267 175.900 0.057 0.000 1.031 613 Y CA -0.590 57.529 58.100 0.033 0.000 1.295 613 Y CB 0.166 38.625 38.460 -0.001 0.000 1.162 613 Y HN 0.367 nan 8.280 nan 0.000 0.523 614 H N 5.089 124.323 119.070 0.273 0.000 2.355 614 H HA -0.081 4.477 4.556 0.004 0.000 0.303 614 H C 1.514 176.884 175.328 0.070 0.000 1.061 614 H CA 1.164 57.286 56.048 0.125 0.000 1.368 614 H CB 0.574 30.396 29.762 0.100 0.000 1.412 614 H HN 0.587 nan 8.280 nan 0.000 0.523 615 M N 1.029 120.626 119.600 -0.005 0.000 2.108 615 M HA -0.087 4.396 4.480 0.003 0.000 0.261 615 M C 2.592 178.654 176.300 -0.396 0.000 1.066 615 M CA 1.299 56.491 55.300 -0.180 0.000 1.107 615 M CB -1.292 31.311 32.600 0.004 0.000 1.356 615 M HN 0.372 nan 8.290 nan 0.000 0.406 616 A N -0.746 121.581 122.820 -0.822 0.000 2.125 616 A HA -0.157 4.165 4.320 0.003 0.000 0.219 616 A C 2.172 179.554 177.584 -0.336 0.000 1.156 616 A CA 1.416 53.010 52.037 -0.738 0.000 0.671 616 A CB -0.473 17.806 19.000 -1.202 0.000 0.794 616 A HN 0.519 nan 8.150 nan 0.000 0.459 617 K N -2.036 118.226 120.400 -0.230 0.000 2.361 617 K HA 0.209 4.531 4.320 0.003 0.000 0.194 617 K C 1.509 178.107 176.600 -0.003 0.000 1.032 617 K CA 0.301 56.545 56.287 -0.071 0.000 1.048 617 K CB 0.121 32.634 32.500 0.021 0.000 0.842 617 K HN 0.360 nan 8.250 nan 0.000 0.526 618 M N 0.753 120.272 119.600 -0.136 0.000 2.357 618 M HA 0.092 4.575 4.480 0.003 0.000 0.266 618 M C 1.597 177.900 176.300 0.005 0.000 1.095 618 M CA 1.114 56.403 55.300 -0.019 0.000 1.156 618 M CB 0.180 32.671 32.600 -0.183 0.000 1.365 618 M HN 0.025 nan 8.290 nan 0.000 0.447 619 I N -0.337 120.172 120.570 -0.102 0.000 2.142 619 I HA -0.332 3.840 4.170 0.003 0.000 0.240 619 I C 2.006 178.014 176.117 -0.182 0.000 1.078 619 I CA 1.409 62.631 61.300 -0.130 0.000 1.343 619 I CB -0.536 37.374 38.000 -0.151 0.000 1.046 619 I HN 0.200 nan 8.210 nan 0.000 0.405 620 I N 0.777 121.211 120.570 -0.226 0.000 2.399 620 I HA -0.314 3.858 4.170 0.003 0.000 0.254 620 I C 2.447 178.271 176.117 -0.487 0.000 1.146 620 I CA 1.413 62.455 61.300 -0.430 0.000 1.412 620 I CB -0.483 37.259 38.000 -0.430 0.000 1.076 620 I HN 0.233 nan 8.210 nan 0.000 0.432 621 K N 1.291 121.498 120.400 -0.321 0.000 2.262 621 K HA 0.021 4.343 4.320 0.003 0.000 0.200 621 K C 2.006 178.483 176.600 -0.206 0.000 1.049 621 K CA 0.611 56.671 56.287 -0.377 0.000 0.979 621 K CB -0.054 32.051 32.500 -0.659 0.000 0.773 621 K HN 0.195 nan 8.250 nan 0.000 0.474 622 L N 0.735 121.846 121.223 -0.186 0.000 2.056 622 L HA -0.069 4.273 4.340 0.003 0.000 0.207 622 L C 1.890 178.469 176.870 -0.485 0.000 1.078 622 L CA 1.434 55.937 54.840 -0.563 0.000 0.749 622 L CB -0.274 41.431 42.059 -0.589 0.000 0.901 622 L HN 0.265 nan 8.230 nan 0.000 0.433 623 I N 0.311 120.673 120.570 -0.347 0.000 2.315 623 I HA -0.233 3.939 4.170 0.003 0.000 0.251 623 I C 0.747 176.692 176.117 -0.287 0.000 1.125 623 I CA 1.562 62.696 61.300 -0.277 0.000 1.392 623 I CB -0.474 37.432 38.000 -0.156 0.000 1.065 623 I HN 0.406 nan 8.210 nan 0.000 0.424 624 T N -1.861 112.502 114.554 -0.318 0.000 3.332 624 T HA 0.734 5.087 4.350 0.003 0.000 0.385 624 T C 0.032 174.557 174.700 -0.292 0.000 1.695 624 T CA -0.032 61.898 62.100 -0.284 0.000 1.397 624 T CB 1.381 70.085 68.868 -0.273 0.000 1.100 624 T HN 0.259 nan 8.240 nan 0.000 0.669 625 A N 2.372 124.993 122.820 -0.332 0.000 1.428 625 A HA 0.319 4.642 4.320 0.003 0.000 0.209 625 A C 1.428 178.752 177.584 -0.433 0.000 1.887 625 A CA -0.100 51.773 52.037 -0.273 0.000 1.545 625 A CB -0.513 18.359 19.000 -0.212 0.000 1.456 625 A HN 0.514 nan 8.150 nan 0.000 0.330 626 I N 1.413 121.558 120.570 -0.709 0.000 2.208 626 I HA -0.188 3.984 4.170 0.003 0.000 0.245 626 I C 2.640 178.381 176.117 -0.627 0.000 1.097 626 I CA 1.617 62.322 61.300 -0.992 0.000 1.363 626 I CB -0.494 36.975 38.000 -0.885 0.000 1.051 626 I HN 0.448 nan 8.210 nan 0.000 0.413 627 G N 1.127 109.662 108.800 -0.442 0.000 2.459 627 G HA2 -0.267 3.695 3.960 0.003 0.000 0.217 627 G HA3 -0.267 3.695 3.960 0.003 0.000 0.217 627 G C 1.031 175.696 174.900 -0.392 0.000 1.183 627 G CA 1.276 46.167 45.100 -0.348 0.000 0.776 627 G HN 0.392 nan 8.290 nan 0.000 0.552 628 D N -0.357 119.801 120.400 -0.404 0.000 2.350 628 D HA 0.043 4.686 4.640 0.003 0.000 0.216 628 D C 2.306 178.281 176.300 -0.541 0.000 0.968 628 D CA 0.288 53.964 54.000 -0.540 0.000 0.894 628 D CB 0.315 40.923 40.800 -0.320 0.000 0.909 628 D HN 0.307 nan 8.370 nan 0.000 0.520 629 V N 0.123 119.820 119.914 -0.363 0.000 2.502 629 V HA -0.110 4.013 4.120 0.003 0.000 0.234 629 V C 2.522 178.451 176.094 -0.275 0.000 1.072 629 V CA 0.896 63.053 62.300 -0.239 0.000 1.094 629 V CB -0.447 31.232 31.823 -0.240 0.000 0.761 629 V HN 0.209 nan 8.190 nan 0.000 0.489 630 V N -0.207 119.430 119.914 -0.461 0.000 2.688 630 V HA -0.184 3.938 4.120 0.003 0.000 0.256 630 V C 1.721 177.703 176.094 -0.186 0.000 1.084 630 V CA 2.417 64.469 62.300 -0.414 0.000 1.103 630 V CB -1.012 30.498 31.823 -0.521 0.000 0.688 630 V HN 0.570 nan 8.190 nan 0.000 0.480 631 N N -0.227 118.346 118.700 -0.211 0.000 2.353 631 N HA 0.074 4.816 4.740 0.003 0.000 0.185 631 N C 0.918 176.487 175.510 0.098 0.000 1.098 631 N CA 0.854 53.851 53.050 -0.089 0.000 0.872 631 N CB -0.271 38.129 38.487 -0.145 0.000 0.970 631 N HN 0.797 nan 8.380 nan 0.000 0.467 632 H N -1.298 117.748 119.070 -0.041 0.000 2.510 632 H HA 0.194 4.752 4.556 0.003 0.000 0.266 632 H C -0.794 174.542 175.328 0.014 0.000 1.146 632 H CA -0.474 55.566 56.048 -0.014 0.000 0.993 632 H CB 0.750 30.503 29.762 -0.015 0.000 1.727 632 H HN -0.063 nan 8.280 nan 0.000 0.590 633 D N 1.175 121.652 120.400 0.128 0.000 2.440 633 D HA 0.143 4.785 4.640 0.003 0.000 0.239 633 D C -1.820 174.549 176.300 0.114 0.000 1.084 633 D CA -2.619 51.465 54.000 0.140 0.000 0.843 633 D CB 1.988 42.905 40.800 0.195 0.000 1.097 633 D HN 0.015 nan 8.370 nan 0.000 0.531 634 P HA -0.154 nan 4.420 nan 0.000 0.216 634 P C 1.446 178.782 177.300 0.059 0.000 1.150 634 P CA 0.589 63.724 63.100 0.058 0.000 0.843 634 P CB 0.372 32.098 31.700 0.044 0.000 0.787 635 V N -0.802 119.156 119.914 0.073 0.000 2.759 635 V HA -0.130 3.993 4.120 0.003 0.000 0.256 635 V C 2.330 178.466 176.094 0.069 0.000 1.080 635 V CA 1.366 63.703 62.300 0.062 0.000 1.101 635 V CB -0.933 30.927 31.823 0.061 0.000 0.698 635 V HN 0.025 nan 8.190 nan 0.000 0.477 636 V N -0.428 119.546 119.914 0.100 0.000 3.052 636 V HA 0.234 4.356 4.120 0.003 0.000 0.254 636 V C 1.714 177.848 176.094 0.067 0.000 1.100 636 V CA 1.376 63.736 62.300 0.099 0.000 1.112 636 V CB -0.190 31.727 31.823 0.156 0.000 0.738 636 V HN 0.711 nan 8.190 nan 0.000 0.469 637 G N 0.988 109.825 108.800 0.061 0.000 2.596 637 G HA2 -0.333 3.629 3.960 0.003 0.000 0.304 637 G HA3 -0.333 3.629 3.960 0.003 0.000 0.304 637 G C 0.294 175.238 174.900 0.073 0.000 1.189 637 G CA 0.511 45.644 45.100 0.055 0.000 0.986 637 G HN 0.490 nan 8.290 nan 0.000 0.548 638 D N 0.785 121.233 120.400 0.079 0.000 2.593 638 D HA 0.272 4.914 4.640 0.003 0.000 0.241 638 D C 1.938 178.272 176.300 0.056 0.000 1.257 638 D CA -0.127 53.930 54.000 0.094 0.000 0.828 638 D CB 0.579 41.452 40.800 0.123 0.000 1.049 638 D HN 0.408 nan 8.370 nan 0.000 0.490 639 R N -0.001 120.521 120.500 0.038 0.000 2.254 639 R HA 0.292 4.634 4.340 0.003 0.000 0.195 639 R C 0.547 176.846 176.300 -0.000 0.000 0.957 639 R CA 0.466 56.571 56.100 0.008 0.000 1.024 639 R CB 1.154 31.450 30.300 -0.007 0.000 0.952 639 R HN 0.050 nan 8.270 nan 0.000 0.484 640 L N 0.738 121.968 121.223 0.011 0.000 2.493 640 L HA 0.501 4.843 4.340 0.003 0.000 0.265 640 L C -1.408 175.445 176.870 -0.030 0.000 0.954 640 L CA -0.715 54.117 54.840 -0.013 0.000 0.844 640 L CB 1.964 44.018 42.059 -0.009 0.000 1.302 640 L HN 0.051 nan 8.230 nan 0.000 0.405 641 R N 3.655 124.122 120.500 -0.054 0.000 2.533 641 R HA 0.478 4.820 4.340 0.003 0.000 0.288 641 R C -1.488 174.745 176.300 -0.111 0.000 1.039 641 R CA -0.748 55.305 56.100 -0.079 0.000 0.909 641 R CB 2.675 32.939 30.300 -0.059 0.000 1.195 641 R HN 0.294 nan 8.270 nan 0.000 0.438 642 V N 5.499 125.329 119.914 -0.140 0.000 2.304 642 V HA 0.379 4.501 4.120 0.003 0.000 0.269 642 V C 0.111 176.132 176.094 -0.122 0.000 1.036 642 V CA -0.383 61.829 62.300 -0.146 0.000 0.840 642 V CB 0.813 32.516 31.823 -0.200 0.000 1.036 642 V HN 0.586 nan 8.190 nan 0.000 0.466 643 I N 5.077 125.579 120.570 -0.115 0.000 2.354 643 I HA 0.374 4.547 4.170 0.003 0.000 0.292 643 I C -0.444 175.627 176.117 -0.077 0.000 0.989 643 I CA -0.496 60.747 61.300 -0.095 0.000 1.188 643 I CB 1.588 39.506 38.000 -0.136 0.000 1.342 643 I HN 0.475 nan 8.210 nan 0.000 0.457 644 F N 7.801 127.686 119.950 -0.108 0.000 2.413 644 F HA 0.416 4.945 4.527 0.003 0.000 0.359 644 F C -0.327 175.444 175.800 -0.049 0.000 1.122 644 F CA -0.403 57.541 58.000 -0.093 0.000 1.160 644 F CB 0.383 39.316 39.000 -0.111 0.000 1.146 644 F HN 0.237 nan 8.300 nan 0.000 0.514 645 L N 5.727 126.476 121.223 -0.790 0.000 2.367 645 L HA 0.230 4.572 4.340 0.003 0.000 0.275 645 L C 0.247 176.896 176.870 -0.369 0.000 1.129 645 L CA -0.112 54.510 54.840 -0.364 0.000 0.839 645 L CB 0.797 42.773 42.059 -0.139 0.000 1.133 645 L HN 0.580 nan 8.230 nan 0.000 0.453 646 E N 3.719 123.866 120.200 -0.088 0.000 2.174 646 E HA 0.073 4.425 4.350 0.003 0.000 0.282 646 E C -0.193 176.456 176.600 0.081 0.000 0.992 646 E CA -0.405 55.978 56.400 -0.028 0.000 0.803 646 E CB 0.593 30.148 29.700 -0.243 0.000 1.090 646 E HN 0.567 nan 8.360 nan 0.000 0.396 647 N N 3.516 122.299 118.700 0.139 0.000 2.806 647 N HA -0.252 4.491 4.740 0.003 0.000 0.248 647 N C -1.633 173.982 175.510 0.175 0.000 1.081 647 N CA 0.334 53.480 53.050 0.160 0.000 0.680 647 N CB -1.782 36.788 38.487 0.138 0.000 0.941 647 N HN 0.511 nan 8.380 nan 0.000 0.554 648 Y N 1.786 122.111 120.300 0.041 0.000 2.717 648 Y HA 0.235 4.787 4.550 0.004 0.000 0.330 648 Y C 1.270 177.199 175.900 0.048 0.000 1.217 648 Y CA 1.225 59.341 58.100 0.027 0.000 1.506 648 Y CB 0.370 38.827 38.460 -0.006 0.000 1.268 648 Y HN 0.479 nan 8.280 nan 0.000 0.561 649 R N 2.122 122.330 120.500 -0.486 0.000 2.764 649 R HA 0.349 4.692 4.340 0.003 0.000 0.276 649 R C -1.027 174.941 176.300 -0.553 0.000 1.021 649 R CA -0.631 55.253 56.100 -0.360 0.000 0.870 649 R CB 0.293 30.537 30.300 -0.094 0.000 1.293 649 R HN 0.381 nan 8.270 nan 0.000 0.469 650 V N 1.136 120.766 119.914 -0.474 0.000 2.343 650 V HA -0.251 3.871 4.120 0.003 0.000 0.247 650 V C 2.540 178.485 176.094 -0.248 0.000 1.051 650 V CA 2.894 64.966 62.300 -0.379 0.000 1.036 650 V CB -0.410 31.108 31.823 -0.508 0.000 0.654 650 V HN 0.878 nan 8.190 nan 0.000 0.451 651 S N -0.772 114.799 115.700 -0.215 0.000 2.383 651 S HA -0.153 4.319 4.470 0.003 0.000 0.227 651 S C 2.083 176.585 174.600 -0.163 0.000 1.026 651 S CA 1.565 59.655 58.200 -0.183 0.000 0.981 651 S CB -0.527 62.591 63.200 -0.136 0.000 0.818 651 S HN 0.503 nan 8.310 nan 0.000 0.472 652 L N 0.987 122.129 121.223 -0.135 0.000 2.083 652 L HA -0.038 4.304 4.340 0.003 0.000 0.209 652 L C 3.030 179.848 176.870 -0.086 0.000 1.083 652 L CA 1.397 56.194 54.840 -0.071 0.000 0.752 652 L CB -0.892 41.203 42.059 0.060 0.000 0.899 652 L HN 0.534 nan 8.230 nan 0.000 0.433 653 A N -0.257 122.463 122.820 -0.167 0.000 1.877 653 A HA -0.249 4.073 4.320 0.003 0.000 0.216 653 A C 2.007 179.621 177.584 0.050 0.000 1.186 653 A CA 1.692 53.681 52.037 -0.079 0.000 0.620 653 A CB -0.505 18.362 19.000 -0.221 0.000 0.822 653 A HN 0.489 nan 8.150 nan 0.000 0.443 654 E N -0.513 119.749 120.200 0.103 0.000 2.049 654 E HA -0.262 4.091 4.350 0.003 0.000 0.198 654 E C 2.127 178.661 176.600 -0.109 0.000 1.007 654 E CA 1.684 58.094 56.400 0.016 0.000 0.809 654 E CB -0.172 29.372 29.700 -0.260 0.000 0.749 654 E HN 0.634 nan 8.360 nan 0.000 0.450 655 K N 0.577 120.859 120.400 -0.197 0.000 2.103 655 K HA -0.149 4.173 4.320 0.003 0.000 0.207 655 K C 2.047 178.305 176.600 -0.571 0.000 1.048 655 K CA 1.023 57.127 56.287 -0.305 0.000 0.930 655 K CB -0.024 32.293 32.500 -0.304 0.000 0.716 655 K HN 0.019 nan 8.250 nan 0.000 0.444 656 V N 0.577 120.167 119.914 -0.540 0.000 2.446 656 V HA -0.082 4.040 4.120 0.003 0.000 0.244 656 V C 1.863 177.730 176.094 -0.378 0.000 1.039 656 V CA 1.157 63.032 62.300 -0.709 0.000 1.045 656 V CB -0.082 31.589 31.823 -0.252 0.000 0.681 656 V HN 0.300 nan 8.190 nan 0.000 0.459 657 I N 1.212 121.611 120.570 -0.285 0.000 2.394 657 I HA -0.073 4.099 4.170 0.003 0.000 0.251 657 I C -0.252 175.813 176.117 -0.088 0.000 1.136 657 I CA 1.100 62.225 61.300 -0.292 0.000 1.425 657 I CB -1.310 36.388 38.000 -0.503 0.000 1.079 657 I HN 0.376 nan 8.210 nan 0.000 0.425 658 P HA -0.199 nan 4.420 nan 0.000 0.215 658 P C 1.385 178.685 177.300 0.000 0.000 1.153 658 P CA 1.864 64.942 63.100 -0.036 0.000 0.853 658 P CB -0.022 31.642 31.700 -0.059 0.000 0.788 659 A N -0.366 122.430 122.820 -0.039 0.000 2.172 659 A HA 0.210 4.532 4.320 0.003 0.000 0.216 659 A C 1.436 179.169 177.584 0.249 0.000 1.154 659 A CA 0.739 52.849 52.037 0.123 0.000 0.701 659 A CB -0.951 18.145 19.000 0.160 0.000 0.789 659 A HN 0.270 nan 8.150 nan 0.000 0.465 660 A N 0.142 123.089 122.820 0.212 0.000 2.276 660 A HA 0.477 4.799 4.320 0.003 0.000 0.300 660 A C 0.350 178.044 177.584 0.183 0.000 1.235 660 A CA -0.415 51.768 52.037 0.244 0.000 0.867 660 A CB 0.365 19.582 19.000 0.362 0.000 1.137 660 A HN 0.299 nan 8.150 nan 0.000 0.527 661 D N 1.377 121.845 120.400 0.115 0.000 2.162 661 D HA 0.005 4.647 4.640 0.003 0.000 0.205 661 D C 0.260 176.665 176.300 0.175 0.000 0.964 661 D CA 1.011 55.124 54.000 0.189 0.000 0.847 661 D CB 0.262 40.956 40.800 -0.177 0.000 0.988 661 D HN 0.380 nan 8.370 nan 0.000 0.480 662 L N 1.283 122.488 121.223 -0.031 0.000 2.376 662 L HA 0.238 4.580 4.340 0.003 0.000 0.275 662 L C -0.782 175.907 176.870 -0.303 0.000 0.987 662 L CA -0.252 54.501 54.840 -0.145 0.000 0.828 662 L CB 1.972 43.926 42.059 -0.175 0.000 1.249 662 L HN -0.188 nan 8.230 nan 0.000 0.409 663 S N 4.841 120.276 115.700 -0.442 0.000 2.404 663 S HA 0.279 4.751 4.470 0.003 0.000 0.309 663 S C -0.104 174.224 174.600 -0.454 0.000 1.076 663 S CA -0.588 57.143 58.200 -0.782 0.000 1.095 663 S CB 0.425 63.084 63.200 -0.901 0.000 0.972 663 S HN 0.603 nan 8.310 nan 0.000 0.484 664 E N 4.078 124.059 120.200 -0.365 0.000 1.932 664 E HA 0.108 4.460 4.350 0.003 0.000 0.275 664 E C -0.516 176.022 176.600 -0.102 0.000 1.159 664 E CA -0.109 56.195 56.400 -0.159 0.000 0.905 664 E CB 0.862 30.489 29.700 -0.121 0.000 1.059 664 E HN 0.623 nan 8.360 nan 0.000 0.400 665 Q N 2.031 121.806 119.800 -0.042 0.000 2.923 665 Q HA 0.197 4.539 4.340 0.003 0.000 0.363 665 Q C 0.570 176.564 176.000 -0.010 0.000 1.159 665 Q CA -0.037 55.747 55.803 -0.032 0.000 1.073 665 Q CB -0.171 28.551 28.738 -0.025 0.000 1.364 665 Q HN 0.527 nan 8.270 nan 0.000 0.466 666 I N -2.591 117.980 120.570 0.002 0.000 3.837 666 I HA 0.368 4.540 4.170 0.003 0.000 0.332 666 I C -0.090 176.006 176.117 -0.036 0.000 1.484 666 I CA -0.421 60.903 61.300 0.040 0.000 1.223 666 I CB 0.222 38.275 38.000 0.088 0.000 1.257 666 I HN -0.066 nan 8.210 nan 0.000 0.421 667 S N 1.203 116.865 115.700 -0.064 0.000 2.596 667 S HA 0.211 4.683 4.470 0.003 0.000 0.260 667 S C 0.685 175.278 174.600 -0.013 0.000 1.336 667 S CA -0.198 57.964 58.200 -0.063 0.000 0.993 667 S CB 0.893 64.065 63.200 -0.046 0.000 0.923 667 S HN 0.470 nan 8.310 nan 0.000 0.567 668 T N 2.231 116.816 114.554 0.051 0.000 2.910 668 T HA 0.417 4.769 4.350 0.003 0.000 0.293 668 T C 0.352 175.074 174.700 0.037 0.000 1.015 668 T CA -0.416 61.720 62.100 0.060 0.000 1.094 668 T CB 0.667 69.626 68.868 0.151 0.000 0.968 668 T HN 0.721 nan 8.240 nan 0.000 0.521 669 A N 1.771 124.591 122.820 -0.001 0.000 2.526 669 A HA 0.477 4.799 4.320 0.003 0.000 0.267 669 A C 1.535 179.123 177.584 0.008 0.000 1.095 669 A CA 0.447 52.475 52.037 -0.016 0.000 0.775 669 A CB -1.214 17.767 19.000 -0.031 0.000 1.036 669 A HN 1.356 nan 8.150 nan 0.000 0.510 670 G N 1.634 110.438 108.800 0.007 0.000 2.481 670 G HA2 -0.243 3.719 3.960 0.003 0.000 0.200 670 G HA3 -0.243 3.719 3.960 0.003 0.000 0.200 670 G C 1.188 176.093 174.900 0.008 0.000 1.012 670 G CA 0.738 45.843 45.100 0.009 0.000 0.676 670 G HN 1.732 nan 8.290 nan 0.000 0.488 671 T N -1.016 113.551 114.554 0.021 0.000 3.054 671 T HA 0.353 4.705 4.350 0.003 0.000 0.259 671 T C 0.710 175.419 174.700 0.016 0.000 1.092 671 T CA 1.098 63.186 62.100 -0.021 0.000 1.121 671 T CB 0.423 69.286 68.868 -0.007 0.000 0.912 671 T HN 0.344 nan 8.240 nan 0.000 0.489 672 E N 0.411 120.648 120.200 0.062 0.000 2.277 672 E HA 0.597 4.949 4.350 0.003 0.000 0.274 672 E C 0.664 177.254 176.600 -0.017 0.000 1.022 672 E CA -0.050 56.381 56.400 0.051 0.000 0.853 672 E CB 1.840 31.561 29.700 0.035 0.000 1.086 672 E HN 0.324 nan 8.360 nan 0.000 0.397 673 A N 2.243 125.015 122.820 -0.081 0.000 1.942 673 A HA 0.051 4.373 4.320 0.003 0.000 0.209 673 A C 1.313 178.825 177.584 -0.120 0.000 1.214 673 A CA 0.927 52.872 52.037 -0.153 0.000 0.686 673 A CB 0.396 19.087 19.000 -0.514 0.000 0.871 673 A HN 0.476 nan 8.150 nan 0.000 0.460 674 S N -2.837 112.801 115.700 -0.103 0.000 3.923 674 S HA 0.590 5.062 4.470 0.003 0.000 0.280 674 S C -0.238 174.347 174.600 -0.025 0.000 1.070 674 S CA 0.374 58.547 58.200 -0.044 0.000 1.300 674 S CB 1.049 64.225 63.200 -0.040 0.000 1.322 674 S HN 1.495 nan 8.310 nan 0.000 0.762 675 G N 1.028 109.820 108.800 -0.012 0.000 3.541 675 G HA2 0.180 4.142 3.960 0.003 0.000 0.236 675 G HA3 0.180 4.142 3.960 0.003 0.000 0.236 675 G C 0.337 175.218 174.900 -0.032 0.000 3.926 675 G CA 0.664 45.751 45.100 -0.022 0.000 0.465 675 G HN 0.776 nan 8.290 nan 0.000 0.274 676 T N -0.050 114.484 114.554 -0.033 0.000 2.653 676 T HA -0.192 4.160 4.350 0.003 0.000 0.267 676 T C 2.651 177.272 174.700 -0.131 0.000 1.037 676 T CA 3.271 65.335 62.100 -0.060 0.000 1.159 676 T CB -0.471 68.349 68.868 -0.079 0.000 0.859 676 T HN 1.098 nan 8.240 nan 0.000 0.449 677 G N 0.681 109.390 108.800 -0.153 0.000 2.470 677 G HA2 -0.207 3.755 3.960 0.003 0.000 0.220 677 G HA3 -0.207 3.755 3.960 0.003 0.000 0.220 677 G C 1.631 176.459 174.900 -0.120 0.000 1.121 677 G CA 0.912 45.879 45.100 -0.223 0.000 0.766 677 G HN 0.541 nan 8.290 nan 0.000 0.553 678 N N 0.887 119.566 118.700 -0.035 0.000 2.069 678 N HA -0.103 4.639 4.740 0.003 0.000 0.191 678 N C 2.254 177.755 175.510 -0.015 0.000 1.031 678 N CA 1.312 54.375 53.050 0.021 0.000 0.852 678 N CB -0.398 38.065 38.487 -0.039 0.000 1.018 678 N HN 0.359 nan 8.380 nan 0.000 0.423 679 M N 0.577 120.118 119.600 -0.099 0.000 2.279 679 M HA -0.075 4.407 4.480 0.003 0.000 0.264 679 M C 1.628 177.888 176.300 -0.068 0.000 1.062 679 M CA 1.280 56.521 55.300 -0.100 0.000 1.099 679 M CB -0.170 32.410 32.600 -0.034 0.000 1.394 679 M HN 0.090 nan 8.290 nan 0.000 0.426 680 K N -0.066 120.226 120.400 -0.179 0.000 2.062 680 K HA -0.038 4.284 4.320 0.003 0.000 0.205 680 K C 1.727 178.246 176.600 -0.135 0.000 1.051 680 K CA 1.135 57.276 56.287 -0.243 0.000 0.941 680 K CB -0.266 31.870 32.500 -0.607 0.000 0.719 680 K HN 0.118 nan 8.250 nan 0.000 0.440 681 F N 1.476 121.350 119.950 -0.127 0.000 2.171 681 F HA -0.116 4.413 4.527 0.004 0.000 0.300 681 F C 2.502 178.266 175.800 -0.061 0.000 1.090 681 F CA 1.215 59.163 58.000 -0.086 0.000 1.293 681 F CB -0.321 38.621 39.000 -0.096 0.000 1.013 681 F HN -0.009 nan 8.300 nan 0.000 0.486 682 M N -0.694 118.972 119.600 0.110 0.000 2.156 682 M HA -0.138 4.344 4.480 0.003 0.000 0.264 682 M C 2.057 178.397 176.300 0.066 0.000 1.067 682 M CA 1.549 56.888 55.300 0.064 0.000 1.131 682 M CB -0.340 32.283 32.600 0.038 0.000 1.368 682 M HN 0.146 nan 8.290 nan 0.000 0.416 683 L N 0.532 121.796 121.223 0.068 0.000 2.261 683 L HA -0.208 4.134 4.340 0.003 0.000 0.216 683 L C 1.121 178.035 176.870 0.073 0.000 1.114 683 L CA 0.912 55.803 54.840 0.084 0.000 0.777 683 L CB -0.515 41.601 42.059 0.096 0.000 0.910 683 L HN 0.453 nan 8.230 nan 0.000 0.440 684 N N -0.506 118.233 118.700 0.065 0.000 2.236 684 N HA 0.086 4.828 4.740 0.003 0.000 0.196 684 N C 1.069 176.623 175.510 0.073 0.000 1.114 684 N CA 0.906 53.994 53.050 0.064 0.000 0.859 684 N CB 1.079 39.597 38.487 0.052 0.000 0.982 684 N HN 0.311 nan 8.380 nan 0.000 0.493 685 G N 0.345 109.180 108.800 0.059 0.000 2.132 685 G HA2 -0.204 3.758 3.960 0.003 0.000 0.228 685 G HA3 -0.204 3.758 3.960 0.003 0.000 0.228 685 G C 0.081 175.020 174.900 0.066 0.000 1.000 685 G CA 0.137 45.257 45.100 0.035 0.000 0.693 685 G HN 0.538 nan 8.290 nan 0.000 0.515 686 A N -0.024 122.849 122.820 0.087 0.000 2.310 686 A HA 0.793 5.115 4.320 0.003 0.000 0.299 686 A C 0.520 178.052 177.584 -0.086 0.000 1.147 686 A CA -0.402 51.677 52.037 0.070 0.000 0.818 686 A CB 0.670 19.749 19.000 0.131 0.000 1.096 686 A HN 0.753 nan 8.150 nan 0.000 0.495 687 L N 1.986 123.118 121.223 -0.151 0.000 2.326 687 L HA 0.299 4.641 4.340 0.003 0.000 0.278 687 L C 0.281 176.972 176.870 -0.297 0.000 1.092 687 L CA -0.329 54.347 54.840 -0.272 0.000 0.810 687 L CB 1.376 43.281 42.059 -0.256 0.000 1.153 687 L HN 0.739 nan 8.230 nan 0.000 0.439 688 T N 4.055 118.312 114.554 -0.495 0.000 2.817 688 T HA 0.337 4.689 4.350 0.003 0.000 0.293 688 T C -0.032 174.509 174.700 -0.264 0.000 0.964 688 T CA -0.171 61.666 62.100 -0.438 0.000 1.085 688 T CB 1.323 69.877 68.868 -0.523 0.000 0.921 688 T HN 0.401 nan 8.240 nan 0.000 0.502 689 I N 3.054 123.566 120.570 -0.097 0.000 2.337 689 I HA 0.631 4.803 4.170 0.003 0.000 0.285 689 I C 0.174 176.418 176.117 0.213 0.000 1.041 689 I CA -0.133 61.236 61.300 0.116 0.000 1.199 689 I CB -0.206 37.809 38.000 0.024 0.000 1.370 689 I HN 0.734 nan 8.210 nan 0.000 0.470 690 G N 4.065 112.959 108.800 0.157 0.000 2.658 690 G HA2 0.554 4.516 3.960 0.003 0.000 0.292 690 G HA3 0.554 4.516 3.960 0.003 0.000 0.292 690 G C -0.593 174.034 174.900 -0.456 0.000 1.320 690 G CA -0.532 44.557 45.100 -0.018 0.000 0.933 690 G HN 0.531 nan 8.290 nan 0.000 0.476 691 T N -1.982 112.259 114.554 -0.523 0.000 2.828 691 T HA 0.366 4.718 4.350 0.003 0.000 0.290 691 T C 0.792 175.322 174.700 -0.283 0.000 1.019 691 T CA -0.483 61.251 62.100 -0.611 0.000 1.031 691 T CB 1.122 69.751 68.868 -0.399 0.000 1.001 691 T HN 0.284 nan 8.240 nan 0.000 0.531 692 M N 2.745 122.214 119.600 -0.217 0.000 3.759 692 M HA 0.332 4.814 4.480 0.003 0.000 0.190 692 M C -0.515 175.735 176.300 -0.083 0.000 1.478 692 M CA -0.900 54.329 55.300 -0.119 0.000 1.691 692 M CB -2.418 30.126 32.600 -0.092 0.000 1.113 692 M HN 0.914 nan 8.290 nan 0.000 0.542 693 D N -0.905 119.450 120.400 -0.076 0.000 2.744 693 D HA 0.770 5.412 4.640 0.003 0.000 0.304 693 D C 0.514 176.792 176.300 -0.037 0.000 1.179 693 D CA 0.527 54.498 54.000 -0.047 0.000 1.024 693 D CB 0.960 41.736 40.800 -0.039 0.000 1.453 693 D HN 0.366 nan 8.370 nan 0.000 0.529 694 G N -0.133 108.654 108.800 -0.021 0.000 2.523 694 G HA2 0.024 3.986 3.960 0.003 0.000 0.271 694 G HA3 0.024 3.986 3.960 0.003 0.000 0.271 694 G C 0.644 175.536 174.900 -0.014 0.000 1.146 694 G CA 0.735 45.824 45.100 -0.019 0.000 0.961 694 G HN 1.387 nan 8.290 nan 0.000 0.549 695 A N 0.002 122.808 122.820 -0.023 0.000 2.430 695 A HA 0.444 4.766 4.320 0.003 0.000 0.243 695 A C 1.745 179.279 177.584 -0.083 0.000 1.254 695 A CA 1.231 53.257 52.037 -0.019 0.000 0.914 695 A CB -0.136 18.856 19.000 -0.013 0.000 0.998 695 A HN 0.502 nan 8.150 nan 0.000 0.515 696 N N 0.235 118.892 118.700 -0.073 0.000 2.135 696 N HA -0.112 4.630 4.740 0.003 0.000 0.186 696 N C 1.592 176.992 175.510 -0.183 0.000 1.027 696 N CA 1.307 54.299 53.050 -0.097 0.000 0.849 696 N CB -0.631 37.849 38.487 -0.011 0.000 1.002 696 N HN 0.162 nan 8.380 nan 0.000 0.425 697 V N 1.448 121.297 119.914 -0.109 0.000 2.527 697 V HA -0.236 3.886 4.120 0.003 0.000 0.255 697 V C 1.593 177.633 176.094 -0.091 0.000 1.081 697 V CA 1.801 64.041 62.300 -0.101 0.000 1.092 697 V CB -0.260 31.530 31.823 -0.055 0.000 0.673 697 V HN 0.342 nan 8.190 nan 0.000 0.470 698 E N -1.559 118.621 120.200 -0.033 0.000 2.400 698 E HA 0.046 4.399 4.350 0.003 0.000 0.195 698 E C 2.108 178.758 176.600 0.082 0.000 1.012 698 E CA 0.405 56.844 56.400 0.066 0.000 0.875 698 E CB 0.054 29.887 29.700 0.222 0.000 0.859 698 E HN 0.568 nan 8.360 nan 0.000 0.498 699 M N 0.037 119.528 119.600 -0.182 0.000 2.388 699 M HA 0.050 4.532 4.480 0.003 0.000 0.265 699 M C 2.359 178.226 176.300 -0.722 0.000 1.088 699 M CA 0.726 55.782 55.300 -0.408 0.000 1.134 699 M CB 0.070 32.303 32.600 -0.611 0.000 1.384 699 M HN 0.116 nan 8.290 nan 0.000 0.447 700 A N 1.655 123.915 122.820 -0.933 0.000 1.858 700 A HA -0.211 4.111 4.320 0.003 0.000 0.216 700 A C 2.013 179.340 177.584 -0.428 0.000 1.190 700 A CA 2.034 53.486 52.037 -0.974 0.000 0.617 700 A CB -0.819 17.862 19.000 -0.532 0.000 0.827 700 A HN 0.653 nan 8.150 nan 0.000 0.443 701 E N -0.780 119.277 120.200 -0.238 0.000 2.106 701 E HA -0.192 4.160 4.350 0.003 0.000 0.192 701 E C 1.635 178.192 176.600 -0.071 0.000 0.984 701 E CA 1.152 57.481 56.400 -0.119 0.000 0.806 701 E CB -0.385 29.273 29.700 -0.070 0.000 0.750 701 E HN 0.565 nan 8.360 nan 0.000 0.458 702 E N 0.660 120.843 120.200 -0.027 0.000 2.106 702 E HA -0.105 4.247 4.350 0.003 0.000 0.192 702 E C 1.928 178.543 176.600 0.025 0.000 0.984 702 E CA 1.271 57.691 56.400 0.035 0.000 0.806 702 E CB 0.049 29.849 29.700 0.167 0.000 0.750 702 E HN 0.457 nan 8.360 nan 0.000 0.458 703 A N 0.164 122.977 122.820 -0.012 0.000 2.147 703 A HA 0.360 4.682 4.320 0.003 0.000 0.211 703 A C 0.956 178.551 177.584 0.017 0.000 1.160 703 A CA 0.933 52.990 52.037 0.033 0.000 0.781 703 A CB 0.370 19.435 19.000 0.108 0.000 0.842 703 A HN 0.212 nan 8.150 nan 0.000 0.475 704 G N -0.238 108.537 108.800 -0.043 0.000 3.434 704 G HA2 -0.103 3.859 3.960 0.003 0.000 0.686 704 G HA3 -0.103 3.859 3.960 0.003 0.000 0.686 704 G C 0.158 175.043 174.900 -0.026 0.000 1.099 704 G CA 0.127 45.207 45.100 -0.032 0.000 0.931 704 G HN 0.113 nan 8.290 nan 0.000 0.520 705 E N 1.101 121.267 120.200 -0.057 0.000 2.114 705 E HA -0.225 4.127 4.350 0.003 0.000 0.199 705 E C 2.204 178.789 176.600 -0.025 0.000 1.008 705 E CA 2.248 58.622 56.400 -0.044 0.000 0.810 705 E CB 0.161 29.828 29.700 -0.055 0.000 0.739 705 E HN 0.765 nan 8.360 nan 0.000 0.456 706 E N 0.554 120.725 120.200 -0.049 0.000 2.110 706 E HA -0.112 4.240 4.350 0.003 0.000 0.193 706 E C 1.376 177.896 176.600 -0.134 0.000 0.988 706 E CA 0.873 57.219 56.400 -0.091 0.000 0.804 706 E CB -0.259 29.402 29.700 -0.066 0.000 0.745 706 E HN 0.211 nan 8.360 nan 0.000 0.458 707 N N -0.177 118.491 118.700 -0.053 0.000 2.434 707 N HA 0.047 4.789 4.740 0.003 0.000 0.196 707 N C -0.800 174.706 175.510 -0.007 0.000 1.183 707 N CA 0.285 53.306 53.050 -0.048 0.000 0.849 707 N CB 0.140 38.641 38.487 0.024 0.000 0.992 707 N HN 0.049 nan 8.380 nan 0.000 0.460 708 F N -0.765 119.014 119.950 -0.285 0.000 2.532 708 F HA 0.334 4.863 4.527 0.002 0.000 0.321 708 F C 0.218 175.787 175.800 -0.384 0.000 1.089 708 F CA -1.216 56.645 58.000 -0.232 0.000 0.926 708 F CB 1.099 40.017 39.000 -0.138 0.000 1.168 708 F HN -0.197 nan 8.300 nan 0.000 0.459 709 F N 4.219 124.074 119.950 -0.160 0.000 2.873 709 F HA 0.246 4.775 4.527 0.003 0.000 0.289 709 F C 0.449 176.319 175.800 0.117 0.000 1.206 709 F CA -0.278 57.710 58.000 -0.019 0.000 1.401 709 F CB -0.502 38.452 39.000 -0.077 0.000 0.996 709 F HN 0.083 nan 8.300 nan 0.000 0.511 710 I N 2.824 123.495 120.570 0.169 0.000 2.978 710 I HA -0.184 3.988 4.170 0.003 0.000 0.293 710 I C 0.275 176.476 176.117 0.140 0.000 1.218 710 I CA 0.854 62.215 61.300 0.101 0.000 1.393 710 I CB -1.655 36.377 38.000 0.053 0.000 1.394 710 I HN 0.144 nan 8.210 nan 0.000 0.541 711 F N 3.955 123.959 119.950 0.090 0.000 2.740 711 F HA 0.907 5.436 4.527 0.002 0.000 0.357 711 F C 0.627 176.467 175.800 0.066 0.000 1.141 711 F CA -0.507 57.541 58.000 0.079 0.000 1.044 711 F CB 0.386 39.444 39.000 0.098 0.000 1.430 711 F HN 0.685 nan 8.300 nan 0.000 0.518 712 G N 0.726 109.720 108.800 0.324 0.000 2.894 712 G HA2 -0.200 3.762 3.960 0.003 0.000 0.247 712 G HA3 -0.200 3.762 3.960 0.003 0.000 0.247 712 G C -0.447 174.469 174.900 0.026 0.000 1.442 712 G CA -0.302 44.914 45.100 0.193 0.000 0.897 712 G HN 0.946 nan 8.290 nan 0.000 0.550 713 M N 0.235 119.851 119.600 0.027 0.000 2.206 713 M HA 0.241 4.723 4.480 0.003 0.000 0.288 713 M C 1.176 177.461 176.300 -0.025 0.000 1.126 713 M CA 0.607 55.911 55.300 0.007 0.000 1.152 713 M CB 0.087 32.686 32.600 -0.002 0.000 1.383 713 M HN 0.598 nan 8.290 nan 0.000 0.437 714 R N 0.119 120.611 120.500 -0.013 0.000 2.919 714 R HA 0.419 4.761 4.340 0.003 0.000 0.260 714 R C 0.918 177.210 176.300 -0.015 0.000 1.067 714 R CA -0.687 55.399 56.100 -0.023 0.000 1.003 714 R CB 0.444 30.735 30.300 -0.015 0.000 1.192 714 R HN 0.559 nan 8.270 nan 0.000 0.488 715 V N 0.950 120.854 119.914 -0.016 0.000 2.250 715 V HA -0.285 3.837 4.120 0.003 0.000 0.250 715 V C 2.425 178.518 176.094 -0.002 0.000 1.060 715 V CA 2.114 64.408 62.300 -0.009 0.000 1.030 715 V CB -0.476 31.342 31.823 -0.010 0.000 0.643 715 V HN 0.723 nan 8.190 nan 0.000 0.445 716 E N 1.440 121.639 120.200 -0.001 0.000 2.045 716 E HA -0.294 4.058 4.350 0.003 0.000 0.212 716 E C 1.943 178.552 176.600 0.014 0.000 1.039 716 E CA 2.347 58.751 56.400 0.006 0.000 0.860 716 E CB -0.520 29.184 29.700 0.007 0.000 0.776 716 E HN 0.872 nan 8.360 nan 0.000 0.467 717 D N 0.183 120.594 120.400 0.018 0.000 2.347 717 D HA -0.085 4.557 4.640 0.003 0.000 0.215 717 D C 2.060 178.376 176.300 0.028 0.000 0.976 717 D CA 0.423 54.442 54.000 0.031 0.000 0.884 717 D CB -0.195 40.630 40.800 0.041 0.000 0.915 717 D HN 0.169 nan 8.370 nan 0.000 0.526 718 V N 1.528 121.447 119.914 0.008 0.000 2.379 718 V HA -0.173 3.949 4.120 0.003 0.000 0.243 718 V C 2.012 178.109 176.094 0.005 0.000 1.035 718 V CA 1.965 64.260 62.300 -0.009 0.000 1.035 718 V CB -0.257 31.549 31.823 -0.029 0.000 0.673 718 V HN 0.045 nan 8.190 nan 0.000 0.457 719 D N -0.389 120.016 120.400 0.008 0.000 2.228 719 D HA -0.254 4.388 4.640 0.003 0.000 0.203 719 D C 2.175 178.489 176.300 0.023 0.000 0.988 719 D CA 1.491 55.498 54.000 0.013 0.000 0.864 719 D CB -0.008 40.797 40.800 0.008 0.000 0.928 719 D HN 0.458 nan 8.370 nan 0.000 0.469 720 R N -0.775 119.743 120.500 0.029 0.000 2.282 720 R HA 0.047 4.389 4.340 0.003 0.000 0.195 720 R C 2.150 178.485 176.300 0.057 0.000 0.909 720 R CA -0.218 55.906 56.100 0.039 0.000 1.039 720 R CB 0.111 30.433 30.300 0.037 0.000 1.015 720 R HN 0.114 nan 8.270 nan 0.000 0.513 721 L N 1.491 122.754 121.223 0.066 0.000 1.976 721 L HA -0.150 4.192 4.340 0.003 0.000 0.209 721 L C 1.249 178.187 176.870 0.113 0.000 1.071 721 L CA 2.037 56.940 54.840 0.106 0.000 0.746 721 L CB -0.578 41.547 42.059 0.110 0.000 0.890 721 L HN 0.074 nan 8.230 nan 0.000 0.432 722 D N -0.708 119.745 120.400 0.089 0.000 2.315 722 D HA -0.251 4.392 4.640 0.003 0.000 0.211 722 D C 2.041 178.386 176.300 0.075 0.000 0.977 722 D CA 1.203 55.259 54.000 0.092 0.000 0.894 722 D CB 0.143 40.977 40.800 0.057 0.000 0.910 722 D HN 0.561 nan 8.370 nan 0.000 0.490 723 Q N 0.446 120.283 119.800 0.062 0.000 2.050 723 Q HA -0.102 4.240 4.340 0.003 0.000 0.202 723 Q C 2.180 178.214 176.000 0.057 0.000 0.980 723 Q CA 1.070 56.903 55.803 0.051 0.000 0.840 723 Q CB 0.085 28.849 28.738 0.044 0.000 0.898 723 Q HN 0.095 nan 8.270 nan 0.000 0.424 724 R N -0.870 119.672 120.500 0.070 0.000 2.148 724 R HA 0.035 4.377 4.340 0.003 0.000 0.223 724 R C 0.211 176.559 176.300 0.079 0.000 1.088 724 R CA 1.013 57.154 56.100 0.069 0.000 0.985 724 R CB 0.090 30.436 30.300 0.076 0.000 0.880 724 R HN 0.341 nan 8.270 nan 0.000 0.451 725 G N -0.819 108.044 108.800 0.105 0.000 2.362 725 G HA2 -0.216 3.747 3.960 0.003 0.000 0.517 725 G HA3 -0.216 3.747 3.960 0.003 0.000 0.517 725 G C -2.000 173.034 174.900 0.223 0.000 1.256 725 G CA -0.181 44.995 45.100 0.127 0.000 1.027 725 G HN 0.203 nan 8.290 nan 0.000 0.491 726 Y N 1.535 121.887 120.300 0.087 0.000 2.322 726 Y HA 0.731 5.283 4.550 0.003 0.000 0.324 726 Y C -0.590 175.397 175.900 0.144 0.000 1.027 726 Y CA -1.652 56.533 58.100 0.140 0.000 1.179 726 Y CB 1.226 39.760 38.460 0.123 0.000 1.136 726 Y HN 0.817 nan 8.280 nan 0.000 0.449 727 N N 3.656 122.350 118.700 -0.009 0.000 2.400 727 N HA 0.620 5.362 4.740 0.003 0.000 0.288 727 N C 0.267 175.635 175.510 -0.236 0.000 1.024 727 N CA 0.304 53.260 53.050 -0.158 0.000 0.894 727 N CB 1.756 40.218 38.487 -0.041 0.000 1.173 727 N HN 0.754 nan 8.380 nan 0.000 0.487 728 A N 2.870 125.464 122.820 -0.377 0.000 1.911 728 A HA 0.011 4.333 4.320 0.003 0.000 0.212 728 A C 0.984 178.777 177.584 0.347 0.000 1.189 728 A CA 0.564 52.575 52.037 -0.044 0.000 0.639 728 A CB -0.225 18.602 19.000 -0.289 0.000 0.839 728 A HN 0.734 nan 8.150 nan 0.000 0.449 729 Q N 0.183 120.097 119.800 0.189 0.000 2.534 729 Q HA 0.260 4.602 4.340 0.003 0.000 0.223 729 Q C 0.219 176.316 176.000 0.162 0.000 1.239 729 Q CA 0.372 56.319 55.803 0.240 0.000 0.936 729 Q CB 0.040 28.841 28.738 0.104 0.000 1.457 729 Q HN 0.718 nan 8.270 nan 0.000 0.547 730 E N 1.746 122.046 120.200 0.166 0.000 1.964 730 E HA -0.096 4.256 4.350 0.003 0.000 0.242 730 E C 0.025 176.593 176.600 -0.053 0.000 1.079 730 E CA 0.128 56.525 56.400 -0.006 0.000 1.600 730 E CB -0.307 29.314 29.700 -0.133 0.000 3.831 730 E HN 0.577 nan 8.360 nan 0.000 0.963 731 Y N 0.026 120.444 120.300 0.197 0.000 2.220 731 Y HA -0.080 4.472 4.550 0.003 0.000 0.291 731 Y C 2.243 178.168 175.900 0.042 0.000 1.129 731 Y CA 1.846 60.051 58.100 0.175 0.000 1.161 731 Y CB -0.543 38.104 38.460 0.312 0.000 0.997 731 Y HN 0.302 nan 8.280 nan 0.000 0.522 732 Y N 0.982 121.323 120.300 0.068 0.000 2.256 732 Y HA -0.222 4.331 4.550 0.004 0.000 0.288 732 Y C 1.379 177.222 175.900 -0.096 0.000 1.155 732 Y CA 1.564 59.545 58.100 -0.199 0.000 1.203 732 Y CB -0.330 38.059 38.460 -0.119 0.000 0.980 732 Y HN -0.021 nan 8.280 nan 0.000 0.530 733 D N 0.082 120.488 120.400 0.010 0.000 2.395 733 D HA 0.030 4.672 4.640 0.003 0.000 0.250 733 D C 1.061 177.301 176.300 -0.100 0.000 1.203 733 D CA 0.413 54.387 54.000 -0.044 0.000 0.872 733 D CB -0.037 40.822 40.800 0.098 0.000 0.941 733 D HN 0.726 nan 8.370 nan 0.000 0.504 734 R N -1.516 118.892 120.500 -0.154 0.000 3.071 734 R HA 0.203 4.545 4.340 0.003 0.000 0.138 734 R C 0.591 176.815 176.300 -0.127 0.000 0.826 734 R CA -0.337 55.702 56.100 -0.101 0.000 1.659 734 R CB 0.230 30.505 30.300 -0.041 0.000 1.678 734 R HN -0.068 nan 8.270 nan 0.000 0.514 735 I N 5.734 126.203 120.570 -0.167 0.000 2.389 735 I HA 0.098 4.270 4.170 0.003 0.000 0.295 735 I C -1.431 174.543 176.117 -0.238 0.000 1.117 735 I CA -1.755 59.449 61.300 -0.159 0.000 1.317 735 I CB 1.189 39.095 38.000 -0.156 0.000 1.431 735 I HN 0.091 nan 8.210 nan 0.000 0.521 736 P HA -0.125 nan 4.420 nan 0.000 0.223 736 P C 0.861 178.073 177.300 -0.147 0.000 1.151 736 P CA 1.235 64.241 63.100 -0.155 0.000 0.787 736 P CB 0.400 32.046 31.700 -0.091 0.000 0.788 737 E N -0.181 119.944 120.200 -0.124 0.000 2.028 737 E HA -0.109 4.243 4.350 0.003 0.000 0.190 737 E C 2.102 178.600 176.600 -0.169 0.000 0.984 737 E CA 0.442 56.793 56.400 -0.081 0.000 0.800 737 E CB -0.807 28.915 29.700 0.037 0.000 0.758 737 E HN 0.046 nan 8.360 nan 0.000 0.448 738 L N 1.828 122.827 121.223 -0.372 0.000 1.997 738 L HA -0.249 4.093 4.340 0.003 0.000 0.216 738 L C 2.227 178.939 176.870 -0.263 0.000 1.074 738 L CA 1.851 56.385 54.840 -0.510 0.000 0.763 738 L CB -0.351 41.252 42.059 -0.761 0.000 0.890 738 L HN 0.006 nan 8.230 nan 0.000 0.434 739 R N -0.902 119.406 120.500 -0.320 0.000 2.096 739 R HA -0.279 4.063 4.340 0.003 0.000 0.240 739 R C 2.222 178.515 176.300 -0.012 0.000 1.139 739 R CA 1.942 57.935 56.100 -0.177 0.000 0.952 739 R CB -0.621 29.466 30.300 -0.354 0.000 0.854 739 R HN 0.599 nan 8.270 nan 0.000 0.436 740 Q N 1.593 121.364 119.800 -0.048 0.000 2.224 740 Q HA -0.107 4.235 4.340 0.003 0.000 0.203 740 Q C 1.929 177.959 176.000 0.051 0.000 0.970 740 Q CA 1.571 57.373 55.803 -0.001 0.000 0.865 740 Q CB -0.187 28.538 28.738 -0.020 0.000 0.922 740 Q HN 0.623 nan 8.270 nan 0.000 0.445 741 I N -2.529 118.078 120.570 0.062 0.000 2.480 741 I HA -0.083 4.090 4.170 0.003 0.000 0.251 741 I C 1.788 177.995 176.117 0.150 0.000 1.124 741 I CA 0.270 61.655 61.300 0.142 0.000 1.444 741 I CB -0.523 37.568 38.000 0.152 0.000 1.098 741 I HN 0.080 nan 8.210 nan 0.000 0.428 742 I N 1.983 122.633 120.570 0.134 0.000 2.099 742 I HA -0.257 3.915 4.170 0.003 0.000 0.239 742 I C 2.150 178.351 176.117 0.140 0.000 1.066 742 I CA 1.826 63.228 61.300 0.170 0.000 1.324 742 I CB -1.168 36.975 38.000 0.238 0.000 1.037 742 I HN 0.324 nan 8.210 nan 0.000 0.401 743 E N 0.233 120.510 120.200 0.127 0.000 2.416 743 E HA -0.060 4.292 4.350 0.003 0.000 0.189 743 E C 1.823 178.464 176.600 0.068 0.000 1.091 743 E CA 0.131 56.586 56.400 0.092 0.000 0.889 743 E CB -0.024 29.729 29.700 0.087 0.000 1.015 743 E HN 0.386 nan 8.360 nan 0.000 0.479 744 Q N -0.945 118.909 119.800 0.091 0.000 2.297 744 Q HA 0.091 4.433 4.340 0.003 0.000 0.203 744 Q C 1.520 177.574 176.000 0.089 0.000 0.931 744 Q CA 0.351 56.200 55.803 0.075 0.000 0.885 744 Q CB 0.341 29.162 28.738 0.138 0.000 0.991 744 Q HN 0.329 nan 8.270 nan 0.000 0.498 745 L N -0.322 120.992 121.223 0.152 0.000 1.993 745 L HA -0.115 4.227 4.340 0.003 0.000 0.206 745 L C 2.187 179.167 176.870 0.183 0.000 1.074 745 L CA 1.059 56.022 54.840 0.205 0.000 0.746 745 L CB -0.500 41.677 42.059 0.196 0.000 0.896 745 L HN 0.037 nan 8.230 nan 0.000 0.435 746 S N -0.119 115.662 115.700 0.134 0.000 2.488 746 S HA -0.137 4.335 4.470 0.003 0.000 0.246 746 S C 1.669 176.315 174.600 0.077 0.000 0.992 746 S CA 1.348 59.607 58.200 0.098 0.000 0.963 746 S CB -0.429 62.813 63.200 0.069 0.000 0.754 746 S HN 0.604 nan 8.310 nan 0.000 0.519 747 S N -0.200 115.542 115.700 0.069 0.000 2.568 747 S HA 0.501 4.973 4.470 0.003 0.000 0.232 747 S C 1.186 175.820 174.600 0.056 0.000 0.975 747 S CA 0.139 58.364 58.200 0.042 0.000 0.949 747 S CB 0.258 63.462 63.200 0.006 0.000 0.829 747 S HN 0.681 nan 8.310 nan 0.000 0.479 748 G N 1.415 110.273 108.800 0.098 0.000 2.179 748 G HA2 -0.336 3.626 3.960 0.003 0.000 0.257 748 G HA3 -0.336 3.626 3.960 0.003 0.000 0.257 748 G C 0.272 175.250 174.900 0.129 0.000 1.010 748 G CA 0.295 45.467 45.100 0.120 0.000 0.736 748 G HN 0.481 nan 8.290 nan 0.000 0.513 749 F N 0.548 120.393 119.950 -0.174 0.000 2.095 749 F HA 0.128 4.657 4.527 0.003 0.000 0.298 749 F C 1.843 177.422 175.800 -0.367 0.000 1.104 749 F CA 1.099 58.870 58.000 -0.382 0.000 1.232 749 F CB -0.431 38.121 39.000 -0.746 0.000 0.987 749 F HN 0.187 nan 8.300 nan 0.000 0.475 750 F N 0.457 120.433 119.950 0.044 0.000 2.693 750 F HA 0.192 4.721 4.527 0.003 0.000 0.303 750 F C 0.470 176.315 175.800 0.075 0.000 1.143 750 F CA 0.078 58.005 58.000 -0.121 0.000 1.389 750 F CB -0.922 37.927 39.000 -0.252 0.000 1.060 750 F HN -0.039 nan 8.300 nan 0.000 0.535 751 S N -1.046 114.805 115.700 0.251 0.000 2.689 751 S HA 0.198 4.670 4.470 0.003 0.000 0.151 751 S C -2.192 172.483 174.600 0.125 0.000 1.155 751 S CA -0.836 57.482 58.200 0.197 0.000 1.144 751 S CB 1.352 64.689 63.200 0.228 0.000 1.526 751 S HN -0.092 nan 8.310 nan 0.000 0.419 752 P HA -0.058 nan 4.420 nan 0.000 0.215 752 P C 0.749 178.090 177.300 0.068 0.000 1.157 752 P CA 1.306 64.463 63.100 0.095 0.000 0.859 752 P CB 0.114 31.873 31.700 0.098 0.000 0.786 753 K N -0.673 119.762 120.400 0.058 0.000 2.444 753 K HA 0.105 4.427 4.320 0.003 0.000 0.193 753 K C 0.440 177.064 176.600 0.040 0.000 1.024 753 K CA 0.437 56.751 56.287 0.046 0.000 1.077 753 K CB 0.018 32.544 32.500 0.043 0.000 0.833 753 K HN 0.331 nan 8.250 nan 0.000 0.517 754 Q N -0.372 119.451 119.800 0.040 0.000 3.244 754 Q HA 0.224 4.566 4.340 0.003 0.000 0.249 754 Q C -2.271 173.742 176.000 0.022 0.000 0.951 754 Q CA -1.509 54.308 55.803 0.023 0.000 0.740 754 Q CB 1.666 30.412 28.738 0.013 0.000 1.334 754 Q HN -0.137 nan 8.270 nan 0.000 0.448 755 P HA -0.264 nan 4.420 nan 0.000 0.214 755 P C 0.306 177.634 177.300 0.048 0.000 1.164 755 P CA 1.577 64.708 63.100 0.052 0.000 0.942 755 P CB 0.258 31.983 31.700 0.041 0.000 0.791 756 D N -1.356 119.059 120.400 0.025 0.000 2.392 756 D HA -0.086 4.556 4.640 0.003 0.000 0.228 756 D C 1.801 178.091 176.300 -0.017 0.000 1.003 756 D CA 0.338 54.351 54.000 0.021 0.000 0.917 756 D CB -0.808 40.002 40.800 0.017 0.000 0.890 756 D HN 0.133 nan 8.370 nan 0.000 0.532 757 L N -0.503 120.660 121.223 -0.101 0.000 2.081 757 L HA -0.175 4.168 4.340 0.003 0.000 0.212 757 L C 1.221 177.846 176.870 -0.408 0.000 1.080 757 L CA 1.359 56.033 54.840 -0.276 0.000 0.754 757 L CB -0.158 41.620 42.059 -0.468 0.000 0.893 757 L HN -0.086 nan 8.230 nan 0.000 0.433 758 F N -1.136 118.862 119.950 0.080 0.000 2.645 758 F HA 0.136 4.666 4.527 0.004 0.000 0.300 758 F C 1.692 177.526 175.800 0.057 0.000 1.115 758 F CA -0.261 57.778 58.000 0.065 0.000 1.355 758 F CB -0.341 38.691 39.000 0.054 0.000 1.026 758 F HN -0.130 nan 8.300 nan 0.000 0.536 759 K N 0.684 121.156 120.400 0.120 0.000 2.280 759 K HA -0.165 4.157 4.320 0.003 0.000 0.202 759 K C 1.221 177.869 176.600 0.080 0.000 1.047 759 K CA 1.424 57.766 56.287 0.091 0.000 0.942 759 K CB -0.482 32.053 32.500 0.060 0.000 0.739 759 K HN 0.455 nan 8.250 nan 0.000 0.457 760 D N -0.359 120.104 120.400 0.106 0.000 2.240 760 D HA -0.041 4.602 4.640 0.003 0.000 0.206 760 D C 1.844 178.193 176.300 0.082 0.000 0.963 760 D CA 0.355 54.420 54.000 0.109 0.000 0.863 760 D CB -0.426 40.481 40.800 0.178 0.000 0.973 760 D HN 0.137 nan 8.370 nan 0.000 0.501 761 I N 0.547 121.182 120.570 0.109 0.000 2.315 761 I HA -0.183 3.989 4.170 0.003 0.000 0.248 761 I C 2.140 178.269 176.117 0.021 0.000 1.117 761 I CA 0.413 61.756 61.300 0.072 0.000 1.404 761 I CB -0.195 37.876 38.000 0.117 0.000 1.071 761 I HN -0.042 nan 8.210 nan 0.000 0.419 762 V N 1.594 121.536 119.914 0.046 0.000 2.214 762 V HA -0.315 3.807 4.120 0.003 0.000 0.245 762 V C 1.943 177.961 176.094 -0.128 0.000 1.047 762 V CA 2.529 64.827 62.300 -0.003 0.000 0.998 762 V CB -0.906 30.932 31.823 0.025 0.000 0.633 762 V HN 0.428 nan 8.190 nan 0.000 0.446 763 N N -0.022 118.599 118.700 -0.131 0.000 2.519 763 N HA -0.180 4.563 4.740 0.003 0.000 0.186 763 N C 1.597 176.899 175.510 -0.346 0.000 1.062 763 N CA 1.508 54.402 53.050 -0.261 0.000 0.910 763 N CB -0.318 38.115 38.487 -0.091 0.000 0.958 763 N HN 0.704 nan 8.380 nan 0.000 0.445 764 M N -0.742 118.675 119.600 -0.304 0.000 2.193 764 M HA 0.036 4.518 4.480 0.003 0.000 0.265 764 M C 1.357 177.418 176.300 -0.400 0.000 1.071 764 M CA 1.325 56.335 55.300 -0.483 0.000 1.140 764 M CB -0.255 32.224 32.600 -0.202 0.000 1.369 764 M HN -0.086 nan 8.290 nan 0.000 0.423 765 L N 0.785 121.820 121.223 -0.314 0.000 1.990 765 L HA -0.161 4.182 4.340 0.003 0.000 0.213 765 L C 2.567 179.103 176.870 -0.558 0.000 1.072 765 L CA 2.040 56.619 54.840 -0.436 0.000 0.755 765 L CB -1.148 40.685 42.059 -0.375 0.000 0.889 765 L HN 0.500 nan 8.230 nan 0.000 0.432 766 M N -2.088 117.253 119.600 -0.432 0.000 2.156 766 M HA -0.126 4.356 4.480 0.003 0.000 0.264 766 M C 2.222 178.426 176.300 -0.159 0.000 1.067 766 M CA 1.403 56.498 55.300 -0.342 0.000 1.131 766 M CB -0.897 31.415 32.600 -0.479 0.000 1.368 766 M HN 0.316 nan 8.290 nan 0.000 0.416 767 H N -1.109 117.855 119.070 -0.176 0.000 2.422 767 H HA 0.120 4.678 4.556 0.003 0.000 0.303 767 H C 0.349 175.650 175.328 -0.045 0.000 1.033 767 H CA 1.035 57.033 56.048 -0.083 0.000 1.335 767 H CB -0.220 29.544 29.762 0.003 0.000 1.458 767 H HN 0.558 nan 8.280 nan 0.000 0.556 768 H N -1.300 117.805 119.070 0.057 0.000 2.597 768 H HA 0.312 4.870 4.556 0.004 0.000 0.225 768 H C -1.302 174.041 175.328 0.025 0.000 1.422 768 H CA -0.812 55.255 56.048 0.032 0.000 1.335 768 H CB -0.047 29.743 29.762 0.046 0.000 1.783 768 H HN -0.089 nan 8.280 nan 0.000 0.513 769 D N 1.306 121.718 120.400 0.020 0.000 2.336 769 D HA 0.060 4.702 4.640 0.003 0.000 0.249 769 D C 1.183 177.548 176.300 0.107 0.000 1.213 769 D CA -0.417 53.627 54.000 0.074 0.000 0.870 769 D CB 0.991 41.810 40.800 0.032 0.000 1.076 769 D HN 0.565 nan 8.370 nan 0.000 0.483 770 R N 3.013 123.471 120.500 -0.070 0.000 2.148 770 R HA -0.079 4.263 4.340 0.003 0.000 0.227 770 R C 0.670 176.684 176.300 -0.478 0.000 1.103 770 R CA 0.908 56.759 56.100 -0.415 0.000 0.983 770 R CB -0.016 29.710 30.300 -0.956 0.000 0.874 770 R HN 0.428 nan 8.270 nan 0.000 0.451 771 F N 0.410 120.420 119.950 0.099 0.000 2.693 771 F HA 0.264 4.793 4.527 0.003 0.000 0.303 771 F C 0.267 176.040 175.800 -0.045 0.000 1.097 771 F CA -0.070 57.958 58.000 0.046 0.000 1.330 771 F CB 0.326 39.393 39.000 0.111 0.000 1.067 771 F HN -0.158 nan 8.300 nan 0.000 0.565 772 K N -0.791 119.613 120.400 0.007 0.000 3.181 772 K HA -0.147 4.175 4.320 0.003 0.000 0.269 772 K C 0.831 177.396 176.600 -0.058 0.000 1.097 772 K CA 0.201 56.322 56.287 -0.276 0.000 0.783 772 K CB -1.822 30.381 32.500 -0.495 0.000 1.267 772 K HN 0.172 nan 8.250 nan 0.000 0.484 773 V N -0.110 119.849 119.914 0.074 0.000 2.270 773 V HA -0.228 3.894 4.120 0.003 0.000 0.245 773 V C 1.944 178.186 176.094 0.247 0.000 1.043 773 V CA 1.999 64.367 62.300 0.114 0.000 1.014 773 V CB -0.409 31.464 31.823 0.083 0.000 0.645 773 V HN 0.395 nan 8.190 nan 0.000 0.447 774 F N 1.016 121.051 119.950 0.142 0.000 2.095 774 F HA -0.158 4.372 4.527 0.004 0.000 0.298 774 F C 2.499 178.270 175.800 -0.048 0.000 1.104 774 F CA 1.196 59.271 58.000 0.126 0.000 1.232 774 F CB -1.571 37.552 39.000 0.204 0.000 0.987 774 F HN 0.171 nan 8.300 nan 0.000 0.475 775 A N -0.910 121.796 122.820 -0.190 0.000 2.225 775 A HA -0.160 4.162 4.320 0.003 0.000 0.215 775 A C 1.647 179.124 177.584 -0.178 0.000 1.164 775 A CA 1.798 53.390 52.037 -0.742 0.000 0.710 775 A CB -0.594 17.837 19.000 -0.949 0.000 0.780 775 A HN 0.273 nan 8.150 nan 0.000 0.473 776 D N -2.933 117.481 120.400 0.024 0.000 2.407 776 D HA 0.070 4.712 4.640 0.003 0.000 0.208 776 D C 1.215 177.625 176.300 0.185 0.000 1.083 776 D CA -0.008 54.076 54.000 0.140 0.000 0.844 776 D CB -0.111 40.799 40.800 0.183 0.000 0.967 776 D HN 0.544 nan 8.370 nan 0.000 0.506 777 Y N 2.327 122.690 120.300 0.106 0.000 2.053 777 Y HA -0.330 4.222 4.550 0.004 0.000 0.277 777 Y C 2.304 178.276 175.900 0.119 0.000 1.159 777 Y CA 2.338 60.515 58.100 0.129 0.000 1.125 777 Y CB 0.026 38.560 38.460 0.124 0.000 0.969 777 Y HN -0.171 nan 8.280 nan 0.000 0.492 778 E N 0.489 120.844 120.200 0.257 0.000 2.108 778 E HA -0.244 4.108 4.350 0.003 0.000 0.203 778 E C 1.792 178.402 176.600 0.017 0.000 1.022 778 E CA 2.316 58.811 56.400 0.160 0.000 0.823 778 E CB -0.276 29.556 29.700 0.221 0.000 0.744 778 E HN 0.656 nan 8.360 nan 0.000 0.456 779 E N -1.256 118.977 120.200 0.055 0.000 2.340 779 E HA -0.085 4.267 4.350 0.003 0.000 0.194 779 E C 1.902 178.452 176.600 -0.084 0.000 0.996 779 E CA 0.500 56.933 56.400 0.054 0.000 0.869 779 E CB -0.430 29.380 29.700 0.182 0.000 0.835 779 E HN 0.479 nan 8.360 nan 0.000 0.493 780 Y N 2.137 122.189 120.300 -0.413 0.000 2.286 780 Y HA -0.122 4.431 4.550 0.004 0.000 0.293 780 Y C 1.972 177.498 175.900 -0.623 0.000 1.124 780 Y CA 1.112 58.646 58.100 -0.943 0.000 1.178 780 Y CB 0.070 37.845 38.460 -1.141 0.000 1.010 780 Y HN -0.101 nan 8.280 nan 0.000 0.536 781 V N -1.422 118.183 119.914 -0.514 0.000 3.592 781 V HA 0.097 4.219 4.120 0.003 0.000 0.272 781 V C -0.045 175.886 176.094 -0.272 0.000 1.228 781 V CA 0.693 62.744 62.300 -0.414 0.000 1.173 781 V CB -0.820 30.741 31.823 -0.436 0.000 0.873 781 V HN 0.260 nan 8.190 nan 0.000 0.476 782 K N -0.680 119.574 120.400 -0.244 0.000 3.098 782 K HA 0.518 4.840 4.320 0.003 0.000 0.170 782 K C -0.790 175.746 176.600 -0.106 0.000 1.106 782 K CA 0.177 56.392 56.287 -0.121 0.000 0.864 782 K CB 0.821 33.290 32.500 -0.050 0.000 1.047 782 K HN 0.331 nan 8.250 nan 0.000 0.609 783 C N -0.257 118.932 119.300 -0.185 0.000 5.148 783 C HA 0.005 4.467 4.460 0.003 0.000 0.459 783 C C 1.486 176.310 174.990 -0.277 0.000 0.983 783 C CA 0.132 59.086 59.018 -0.106 0.000 2.456 783 C CB 0.732 28.383 27.740 -0.148 0.000 2.993 783 C HN 0.575 nan 8.230 nan 0.000 0.393 784 Q N 1.264 120.793 119.800 -0.453 0.000 2.187 784 Q HA -0.039 4.303 4.340 0.003 0.000 0.199 784 Q C 1.658 177.525 176.000 -0.222 0.000 0.957 784 Q CA 1.176 56.703 55.803 -0.460 0.000 0.857 784 Q CB -0.127 28.180 28.738 -0.719 0.000 0.929 784 Q HN 0.733 nan 8.270 nan 0.000 0.453 785 E N 0.816 120.932 120.200 -0.140 0.000 2.031 785 E HA -0.165 4.187 4.350 0.003 0.000 0.193 785 E C 1.991 178.568 176.600 -0.038 0.000 0.994 785 E CA 0.598 56.959 56.400 -0.063 0.000 0.800 785 E CB -0.198 29.478 29.700 -0.040 0.000 0.752 785 E HN 0.171 nan 8.360 nan 0.000 0.447 786 R N 0.736 121.220 120.500 -0.027 0.000 2.293 786 R HA -0.078 4.264 4.340 0.003 0.000 0.219 786 R C 2.067 178.366 176.300 -0.002 0.000 1.091 786 R CA 0.357 56.500 56.100 0.071 0.000 1.004 786 R CB 0.125 30.537 30.300 0.185 0.000 0.865 786 R HN 0.028 nan 8.270 nan 0.000 0.469 787 V N -1.184 118.568 119.914 -0.269 0.000 2.500 787 V HA -0.062 4.060 4.120 0.003 0.000 0.243 787 V C 1.469 177.512 176.094 -0.085 0.000 1.039 787 V CA 1.450 63.487 62.300 -0.437 0.000 1.053 787 V CB 0.575 32.004 31.823 -0.658 0.000 0.695 787 V HN 0.195 nan 8.190 nan 0.000 0.463 788 S N -0.141 115.527 115.700 -0.053 0.000 2.660 788 S HA 0.176 4.648 4.470 0.003 0.000 0.223 788 S C 1.629 176.295 174.600 0.110 0.000 0.963 788 S CA 0.741 58.970 58.200 0.049 0.000 0.932 788 S CB 0.100 63.291 63.200 -0.015 0.000 0.775 788 S HN 0.597 nan 8.310 nan 0.000 0.531 789 A N 0.679 123.563 122.820 0.106 0.000 1.993 789 A HA 0.343 4.666 4.320 0.003 0.000 0.207 789 A C 1.716 179.396 177.584 0.161 0.000 1.224 789 A CA 0.120 52.233 52.037 0.126 0.000 0.749 789 A CB -0.211 18.852 19.000 0.105 0.000 0.884 789 A HN 0.504 nan 8.150 nan 0.000 0.467 790 L N -2.556 118.797 121.223 0.217 0.000 2.554 790 L HA 0.253 4.595 4.340 0.003 0.000 0.225 790 L C 1.969 179.084 176.870 0.408 0.000 1.104 790 L CA 0.683 55.689 54.840 0.277 0.000 0.866 790 L CB -0.120 42.125 42.059 0.310 0.000 1.047 790 L HN 0.326 nan 8.230 nan 0.000 0.468 791 Y N 1.495 121.922 120.300 0.213 0.000 2.243 791 Y HA 0.019 4.571 4.550 0.003 0.000 0.293 791 Y C 1.240 177.139 175.900 -0.002 0.000 1.124 791 Y CA 0.727 58.864 58.100 0.061 0.000 1.159 791 Y CB 0.070 38.460 38.460 -0.118 0.000 1.008 791 Y HN 0.141 nan 8.280 nan 0.000 0.527 792 K N 1.896 122.293 120.400 -0.006 0.000 2.250 792 K HA 0.151 4.474 4.320 0.003 0.000 0.285 792 K C -0.901 175.676 176.600 -0.037 0.000 1.097 792 K CA 0.158 56.382 56.287 -0.104 0.000 0.913 792 K CB -0.424 32.099 32.500 0.040 0.000 1.179 792 K HN 0.303 nan 8.250 nan 0.000 0.462 793 N N 4.756 123.407 118.700 -0.081 0.000 4.003 793 N HA -0.006 4.736 4.740 0.003 0.000 0.106 793 N C -2.722 172.799 175.510 0.019 0.000 0.950 793 N CA -0.593 52.449 53.050 -0.012 0.000 2.625 793 N CB 0.043 38.561 38.487 0.052 0.000 1.453 793 N HN 0.293 nan 8.380 nan 0.000 0.786 794 P HA -0.071 nan 4.420 nan 0.000 0.218 794 P C 1.423 178.775 177.300 0.086 0.000 1.148 794 P CA 0.999 64.088 63.100 -0.018 0.000 0.822 794 P CB 0.320 31.952 31.700 -0.114 0.000 0.784 795 R N -0.181 120.351 120.500 0.053 0.000 2.062 795 R HA -0.104 4.238 4.340 0.003 0.000 0.229 795 R C 1.945 178.293 176.300 0.079 0.000 1.128 795 R CA 1.182 57.316 56.100 0.056 0.000 0.960 795 R CB -0.233 30.087 30.300 0.033 0.000 0.855 795 R HN 0.047 nan 8.270 nan 0.000 0.432 796 E N -0.516 119.736 120.200 0.087 0.000 2.152 796 E HA -0.201 4.151 4.350 0.003 0.000 0.192 796 E C 1.436 178.102 176.600 0.110 0.000 0.983 796 E CA 0.734 57.184 56.400 0.083 0.000 0.818 796 E CB -0.356 29.388 29.700 0.074 0.000 0.758 796 E HN 0.417 nan 8.360 nan 0.000 0.467 797 W N 2.073 123.395 121.300 0.038 0.000 2.332 797 W HA -0.211 4.450 4.660 0.003 0.000 0.321 797 W C 2.186 178.730 176.519 0.042 0.000 1.219 797 W CA 2.618 60.008 57.345 0.074 0.000 1.277 797 W CB -0.436 29.096 29.460 0.120 0.000 1.161 797 W HN -0.046 nan 8.180 nan 0.000 0.476 798 T N 0.595 115.339 114.554 0.318 0.000 3.035 798 T HA -0.093 4.259 4.350 0.003 0.000 0.268 798 T C 1.611 176.310 174.700 -0.002 0.000 1.109 798 T CA 1.155 63.353 62.100 0.162 0.000 1.119 798 T CB -0.217 68.749 68.868 0.163 0.000 0.900 798 T HN 0.190 nan 8.240 nan 0.000 0.503 799 R N 0.162 120.665 120.500 0.004 0.000 2.200 799 R HA 0.253 4.595 4.340 0.003 0.000 0.208 799 R C 2.292 178.561 176.300 -0.052 0.000 1.033 799 R CA 0.560 56.652 56.100 -0.012 0.000 1.000 799 R CB -0.250 30.059 30.300 0.016 0.000 0.906 799 R HN 0.326 nan 8.270 nan 0.000 0.462 800 M N 0.508 120.045 119.600 -0.106 0.000 2.200 800 M HA -0.084 4.398 4.480 0.003 0.000 0.265 800 M C 1.847 178.017 176.300 -0.217 0.000 1.066 800 M CA 1.272 56.474 55.300 -0.162 0.000 1.127 800 M CB 0.197 32.661 32.600 -0.227 0.000 1.379 800 M HN -0.112 nan 8.290 nan 0.000 0.420 801 V N 0.569 120.294 119.914 -0.315 0.000 2.568 801 V HA -0.263 3.859 4.120 0.003 0.000 0.253 801 V C 2.058 178.070 176.094 -0.136 0.000 1.072 801 V CA 1.666 63.797 62.300 -0.282 0.000 1.084 801 V CB -0.682 30.954 31.823 -0.311 0.000 0.676 801 V HN 0.528 nan 8.190 nan 0.000 0.469 802 I N -0.904 119.607 120.570 -0.099 0.000 2.761 802 I HA -0.074 4.098 4.170 0.003 0.000 0.261 802 I C 2.230 178.357 176.117 0.017 0.000 1.198 802 I CA 0.928 62.208 61.300 -0.034 0.000 1.482 802 I CB -0.280 37.717 38.000 -0.005 0.000 1.100 802 I HN 0.123 nan 8.210 nan 0.000 0.445 803 R N 0.522 121.019 120.500 -0.005 0.000 2.320 803 R HA 0.110 4.452 4.340 0.003 0.000 0.211 803 R C 1.025 177.349 176.300 0.040 0.000 0.931 803 R CA 0.324 56.438 56.100 0.023 0.000 1.071 803 R CB -0.150 30.157 30.300 0.011 0.000 1.025 803 R HN 0.502 nan 8.270 nan 0.000 0.495 804 N N -0.569 118.143 118.700 0.021 0.000 2.445 804 N HA 0.144 4.886 4.740 0.003 0.000 0.204 804 N C 1.388 176.935 175.510 0.062 0.000 1.098 804 N CA -0.039 53.048 53.050 0.062 0.000 0.859 804 N CB 0.541 39.038 38.487 0.016 0.000 1.249 804 N HN 0.001 nan 8.380 nan 0.000 0.462 805 I N 1.396 121.987 120.570 0.034 0.000 2.315 805 I HA -0.121 4.051 4.170 0.003 0.000 0.248 805 I C 2.295 178.460 176.117 0.079 0.000 1.117 805 I CA 0.811 62.142 61.300 0.052 0.000 1.404 805 I CB -0.133 37.881 38.000 0.022 0.000 1.071 805 I HN 0.127 nan 8.210 nan 0.000 0.419 806 A N -0.172 122.698 122.820 0.083 0.000 2.067 806 A HA -0.080 4.242 4.320 0.003 0.000 0.217 806 A C 2.247 179.885 177.584 0.091 0.000 1.156 806 A CA 1.532 53.623 52.037 0.091 0.000 0.683 806 A CB -0.589 18.474 19.000 0.104 0.000 0.808 806 A HN 0.306 nan 8.150 nan 0.000 0.455 807 T N -0.885 113.730 114.554 0.102 0.000 2.697 807 T HA 0.060 4.412 4.350 0.003 0.000 0.244 807 T C 1.633 176.418 174.700 0.142 0.000 1.090 807 T CA 1.335 63.503 62.100 0.114 0.000 1.255 807 T CB -0.269 68.676 68.868 0.128 0.000 0.931 807 T HN 0.529 nan 8.240 nan 0.000 0.406 808 S N -0.108 115.725 115.700 0.220 0.000 4.154 808 S HA -0.358 4.114 4.470 0.003 0.000 0.538 808 S C 1.798 176.506 174.600 0.180 0.000 1.296 808 S CA 2.352 60.719 58.200 0.278 0.000 3.684 808 S CB -1.674 61.642 63.200 0.193 0.000 1.955 808 S HN 1.105 nan 8.310 nan 0.000 0.461 809 G N 1.806 110.662 108.800 0.094 0.000 3.410 809 G HA2 -0.524 3.438 3.960 0.003 0.000 0.391 809 G HA3 -0.524 3.438 3.960 0.003 0.000 0.391 809 G C 0.923 175.753 174.900 -0.117 0.000 2.137 809 G CA 1.978 47.080 45.100 0.004 0.000 2.420 809 G HN 0.812 nan 8.290 nan 0.000 0.917 810 K N 0.254 120.466 120.400 -0.313 0.000 2.585 810 K HA 0.086 4.408 4.320 0.003 0.000 0.194 810 K C 0.558 176.563 176.600 -0.991 0.000 1.037 810 K CA 0.693 56.598 56.287 -0.638 0.000 0.964 810 K CB -0.193 31.824 32.500 -0.806 0.000 0.787 810 K HN 0.450 nan 8.250 nan 0.000 0.488 811 F N -0.315 119.653 119.950 0.029 0.000 2.791 811 F HA 0.264 4.793 4.527 0.003 0.000 0.308 811 F C 0.177 176.009 175.800 0.052 0.000 1.138 811 F CA -0.580 57.444 58.000 0.040 0.000 1.294 811 F CB 0.725 39.745 39.000 0.033 0.000 0.975 811 F HN -0.215 nan 8.300 nan 0.000 0.512 812 S N -0.059 115.698 115.700 0.096 0.000 2.475 812 S HA 0.348 4.820 4.470 0.003 0.000 0.298 812 S C 0.989 175.639 174.600 0.084 0.000 1.119 812 S CA -0.435 57.818 58.200 0.089 0.000 1.085 812 S CB 0.895 64.120 63.200 0.040 0.000 1.028 812 S HN 0.249 nan 8.310 nan 0.000 0.489 813 S N 2.810 118.582 115.700 0.119 0.000 2.710 813 S HA 0.101 4.573 4.470 0.003 0.000 0.224 813 S C 0.404 175.006 174.600 0.003 0.000 0.948 813 S CA -0.183 58.096 58.200 0.132 0.000 0.949 813 S CB -0.162 63.224 63.200 0.310 0.000 0.778 813 S HN 0.741 nan 8.310 nan 0.000 0.498 814 D N 1.658 122.055 120.400 -0.005 0.000 2.262 814 D HA -0.001 4.641 4.640 0.003 0.000 0.212 814 D C 2.039 178.306 176.300 -0.055 0.000 0.964 814 D CA 0.157 54.135 54.000 -0.037 0.000 0.875 814 D CB -0.118 40.669 40.800 -0.022 0.000 0.996 814 D HN 0.266 nan 8.370 nan 0.000 0.497 815 R N 1.421 121.890 120.500 -0.050 0.000 2.066 815 R HA -0.089 4.253 4.340 0.003 0.000 0.232 815 R C 1.909 178.159 176.300 -0.083 0.000 1.131 815 R CA 1.272 57.329 56.100 -0.072 0.000 0.955 815 R CB -0.673 29.573 30.300 -0.089 0.000 0.851 815 R HN 0.041 nan 8.270 nan 0.000 0.432 816 T N 1.790 116.308 114.554 -0.060 0.000 2.624 816 T HA -0.198 4.154 4.350 0.003 0.000 0.268 816 T C 1.860 176.524 174.700 -0.060 0.000 1.041 816 T CA 1.697 63.777 62.100 -0.034 0.000 1.159 816 T CB -0.244 68.659 68.868 0.058 0.000 0.863 816 T HN 0.106 nan 8.240 nan 0.000 0.434 817 I N 1.278 121.739 120.570 -0.182 0.000 2.315 817 I HA 0.009 4.182 4.170 0.003 0.000 0.248 817 I C 2.597 178.627 176.117 -0.145 0.000 1.117 817 I CA 0.486 61.651 61.300 -0.225 0.000 1.404 817 I CB -0.944 36.895 38.000 -0.268 0.000 1.071 817 I HN 0.209 nan 8.210 nan 0.000 0.419 818 A N -0.799 121.954 122.820 -0.111 0.000 1.969 818 A HA -0.212 4.110 4.320 0.003 0.000 0.218 818 A C 2.151 179.650 177.584 -0.141 0.000 1.169 818 A CA 1.137 53.114 52.037 -0.101 0.000 0.635 818 A CB -0.598 18.359 19.000 -0.072 0.000 0.810 818 A HN 0.525 nan 8.150 nan 0.000 0.445 819 Q N -2.024 117.680 119.800 -0.160 0.000 2.439 819 Q HA -0.148 4.194 4.340 0.003 0.000 0.211 819 Q C 1.248 177.035 176.000 -0.356 0.000 0.978 819 Q CA 1.141 56.810 55.803 -0.222 0.000 0.897 819 Q CB -0.171 28.433 28.738 -0.222 0.000 0.956 819 Q HN 0.867 nan 8.270 nan 0.000 0.483 820 Y N -0.507 119.503 120.300 -0.485 0.000 2.222 820 Y HA 0.009 4.561 4.550 0.003 0.000 0.290 820 Y C 2.369 177.724 175.900 -0.909 0.000 1.123 820 Y CA 0.708 58.297 58.100 -0.852 0.000 1.120 820 Y CB -0.609 37.086 38.460 -1.275 0.000 1.060 820 Y HN 0.054 nan 8.280 nan 0.000 0.508 821 A N 1.234 123.767 122.820 -0.478 0.000 1.881 821 A HA -0.340 3.982 4.320 0.003 0.000 0.219 821 A C 2.169 179.730 177.584 -0.038 0.000 1.215 821 A CA 3.191 55.171 52.037 -0.095 0.000 0.648 821 A CB -0.830 18.184 19.000 0.023 0.000 0.832 821 A HN 0.595 nan 8.150 nan 0.000 0.455 822 R N -0.887 119.564 120.500 -0.082 0.000 2.048 822 R HA 0.122 4.464 4.340 0.003 0.000 0.221 822 R C 1.664 177.907 176.300 -0.094 0.000 1.174 822 R CA 0.934 57.000 56.100 -0.057 0.000 0.971 822 R CB -0.724 29.548 30.300 -0.046 0.000 0.863 822 R HN 0.491 nan 8.270 nan 0.000 0.439 823 E N 0.701 120.818 120.200 -0.138 0.000 2.526 823 E HA -0.053 4.299 4.350 0.003 0.000 0.205 823 E C 1.075 177.589 176.600 -0.143 0.000 1.104 823 E CA 0.750 57.068 56.400 -0.136 0.000 0.899 823 E CB -0.026 29.577 29.700 -0.162 0.000 0.838 823 E HN 0.519 nan 8.360 nan 0.000 0.564 824 I N -2.172 118.296 120.570 -0.170 0.000 3.639 824 I HA -0.018 4.155 4.170 0.003 0.000 0.265 824 I C 0.276 176.435 176.117 0.071 0.000 1.087 824 I CA -0.131 61.117 61.300 -0.087 0.000 1.427 824 I CB 0.092 37.951 38.000 -0.236 0.000 1.824 824 I HN 0.139 nan 8.210 nan 0.000 0.391 825 W N 3.748 125.112 121.300 0.107 0.000 3.387 825 W HA 0.455 5.117 4.660 0.004 0.000 0.403 825 W C 1.507 178.040 176.519 0.024 0.000 1.073 825 W CA 0.145 57.533 57.345 0.073 0.000 1.866 825 W CB -1.607 27.890 29.460 0.061 0.000 0.981 825 W HN 0.521 nan 8.180 nan 0.000 0.802 826 G N 1.170 110.057 108.800 0.145 0.000 4.230 826 G HA2 -0.434 3.528 3.960 0.003 0.000 0.340 826 G HA3 -0.434 3.528 3.960 0.003 0.000 0.340 826 G C 0.452 175.392 174.900 0.068 0.000 1.315 826 G CA 1.706 46.851 45.100 0.075 0.000 1.033 826 G HN 0.593 nan 8.290 nan 0.000 0.741 827 V N -0.501 119.468 119.914 0.092 0.000 3.050 827 V HA 0.139 4.261 4.120 0.003 0.000 0.283 827 V C 0.368 176.497 176.094 0.059 0.000 1.384 827 V CA 1.321 63.666 62.300 0.077 0.000 1.419 827 V CB -0.077 31.805 31.823 0.098 0.000 0.820 827 V HN 0.646 nan 8.190 nan 0.000 0.463 828 E N 6.848 127.071 120.200 0.038 0.000 2.216 828 E HA 0.382 4.734 4.350 0.003 0.000 0.279 828 E C -2.151 174.469 176.600 0.033 0.000 0.997 828 E CA -1.784 54.633 56.400 0.027 0.000 0.817 828 E CB 1.608 31.317 29.700 0.015 0.000 1.096 828 E HN 0.783 nan 8.360 nan 0.000 0.393 829 P HA 0.006 nan 4.420 nan 0.000 0.273 829 P C -0.299 177.018 177.300 0.028 0.000 1.319 829 P CA -0.132 62.987 63.100 0.033 0.000 0.885 829 P CB 0.442 32.157 31.700 0.025 0.000 1.015 830 S N 3.486 119.208 115.700 0.036 0.000 2.498 830 S HA 0.053 4.526 4.470 0.003 0.000 0.281 830 S C 1.105 175.720 174.600 0.025 0.000 1.265 830 S CA -0.401 57.818 58.200 0.032 0.000 1.071 830 S CB -0.067 63.159 63.200 0.043 0.000 0.894 830 S HN 0.392 nan 8.310 nan 0.000 0.491 831 R N 2.930 123.441 120.500 0.018 0.000 2.320 831 R HA 0.101 4.444 4.340 0.003 0.000 0.211 831 R C 0.915 177.221 176.300 0.010 0.000 0.931 831 R CA -0.063 56.045 56.100 0.014 0.000 1.071 831 R CB 0.071 30.378 30.300 0.012 0.000 1.025 831 R HN 0.763 nan 8.270 nan 0.000 0.495 832 Q N 1.306 121.114 119.800 0.012 0.000 2.352 832 Q HA 0.036 4.378 4.340 0.003 0.000 0.260 832 Q C -0.680 175.318 176.000 -0.004 0.000 0.976 832 Q CA -0.140 55.668 55.803 0.007 0.000 0.881 832 Q CB 0.954 29.702 28.738 0.017 0.000 1.235 832 Q HN 0.020 nan 8.270 nan 0.000 0.419 833 R N 1.932 122.424 120.500 -0.014 0.000 2.738 833 R HA 0.268 4.610 4.340 0.003 0.000 0.268 833 R C -0.490 175.792 176.300 -0.031 0.000 1.062 833 R CA 0.002 56.083 56.100 -0.032 0.000 1.158 833 R CB 0.481 30.759 30.300 -0.037 0.000 1.046 833 R HN 0.662 nan 8.270 nan 0.000 0.493 834 L N 4.260 125.450 121.223 -0.055 0.000 2.334 834 L HA 0.611 4.953 4.340 0.003 0.000 0.272 834 L C -1.962 174.875 176.870 -0.056 0.000 1.020 834 L CA -2.063 52.732 54.840 -0.075 0.000 0.812 834 L CB 1.696 43.666 42.059 -0.149 0.000 1.264 834 L HN 0.632 nan 8.230 nan 0.000 0.439 835 P HA 0.229 nan 4.420 nan 0.000 0.297 835 P C -1.149 176.139 177.300 -0.020 0.000 1.303 835 P CA 0.004 63.095 63.100 -0.015 0.000 0.753 835 P CB 0.352 32.058 31.700 0.010 0.000 1.281 836 A N -1.462 121.354 122.820 -0.006 0.000 1.513 836 A HA -0.115 4.207 4.320 0.003 0.000 0.299 836 A C -1.952 175.630 177.584 -0.004 0.000 0.928 836 A CA -0.145 51.891 52.037 -0.002 0.000 0.924 836 A CB -2.960 16.043 19.000 0.004 0.000 1.511 836 A HN 0.558 nan 8.150 nan 0.000 0.218 837 P HA 0.000 nan 4.420 nan 0.000 0.216 837 P CA 0.000 63.107 63.100 0.011 0.000 0.800 837 P CB 0.000 31.706 31.700 0.010 0.000 0.726