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 3bb8_1_B DATA FIRST_RESID 2 DATA SEQUENCE SQEELRQQIA ELVAQYAETA MAPKPFEAGK SVVPPSGKVI GTKELQLMVE DATA SEQUENCE ASLDGWLTTG RFNDAFEKKL GEYLGVPYVL TTTSGSSANL LALTALTSPK DATA SEQUENCE LGVRALKPGD EVITVAAGFP TTVNPTIQNG LIPVFVDVDI PTYNVNASLI DATA SEQUENCE EAAVSDKTKA IMIAHTLGNL FDLAEVRRVA DKYNLWLIED CCDALGSTYD DATA SEQUENCE GKMAGTFGDI GTVSFYPAKH ITMGEGGAVF TQSAELKSII ESFRDWGRDC DATA SEQUENCE XXXXXXXXXX XXXXXXQLGS LPFGYDHKYT YSHLGYNLKI TDMQAACGLA DATA SEQUENCE QLERIEEFVE KRKANFKYLK DALQSCADFI ELPEATENSD PSWFGFPITL DATA SEQUENCE KEDSGVSRID LVKFLDEAKV GTRLLFAGNL TRQPYFHDVK YRVVGELTNT DATA SEQUENCE DRIMNQTFWI GIYPGLTHDH LDYVVSKFEE FFGLNF 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.606 174.600 0.010 0.000 1.055 2 S CA 0.000 58.205 58.200 0.008 0.000 1.107 2 S CB 0.000 63.205 63.200 0.008 0.000 0.593 3 Q N 1.455 121.261 119.800 0.010 0.000 2.016 3 Q HA -0.030 4.311 4.340 0.001 0.000 0.200 3 Q C 1.804 177.812 176.000 0.015 0.000 0.978 3 Q CA 1.896 57.707 55.803 0.014 0.000 0.833 3 Q CB -0.678 28.069 28.738 0.014 0.000 0.895 3 Q HN 0.629 nan 8.270 nan 0.000 0.427 4 E N 1.360 121.567 120.200 0.012 0.000 2.219 4 E HA -0.200 4.151 4.350 0.001 0.000 0.198 4 E C 1.562 178.170 176.600 0.014 0.000 0.998 4 E CA 1.435 57.843 56.400 0.013 0.000 0.818 4 E CB 0.073 29.777 29.700 0.008 0.000 0.741 4 E HN 0.441 nan 8.360 nan 0.000 0.477 5 E N -0.215 119.993 120.200 0.012 0.000 2.008 5 E HA -0.091 4.260 4.350 0.001 0.000 0.191 5 E C 2.261 178.869 176.600 0.014 0.000 0.986 5 E CA 1.085 57.492 56.400 0.012 0.000 0.807 5 E CB -0.274 29.432 29.700 0.010 0.000 0.766 5 E HN 0.249 nan 8.360 nan 0.000 0.450 6 L N 0.920 122.152 121.223 0.014 0.000 2.103 6 L HA -0.290 4.051 4.340 0.001 0.000 0.215 6 L C 2.646 179.526 176.870 0.017 0.000 1.080 6 L CA 1.347 56.195 54.840 0.014 0.000 0.764 6 L CB -0.580 41.488 42.059 0.014 0.000 0.890 6 L HN 0.131 nan 8.230 nan 0.000 0.435 7 R N -0.260 120.253 120.500 0.021 0.000 2.075 7 R HA -0.166 4.175 4.340 0.001 0.000 0.230 7 R C 2.340 178.655 176.300 0.025 0.000 1.140 7 R CA 1.590 57.706 56.100 0.026 0.000 0.928 7 R CB -0.394 29.926 30.300 0.033 0.000 0.834 7 R HN 0.428 nan 8.270 nan 0.000 0.429 8 Q N 0.223 120.037 119.800 0.023 0.000 2.248 8 Q HA -0.252 4.088 4.340 0.001 0.000 0.208 8 Q C 2.140 178.152 176.000 0.020 0.000 0.984 8 Q CA 1.457 57.273 55.803 0.022 0.000 0.875 8 Q CB -0.018 28.731 28.738 0.019 0.000 0.910 8 Q HN 0.404 nan 8.270 nan 0.000 0.433 9 Q N 0.363 120.173 119.800 0.017 0.000 2.123 9 Q HA -0.107 4.233 4.340 0.001 0.000 0.199 9 Q C 1.951 177.960 176.000 0.016 0.000 0.966 9 Q CA 0.728 56.541 55.803 0.016 0.000 0.845 9 Q CB 0.130 28.876 28.738 0.014 0.000 0.907 9 Q HN 0.414 nan 8.270 nan 0.000 0.439 10 I N 0.528 121.107 120.570 0.015 0.000 2.315 10 I HA -0.220 3.951 4.170 0.001 0.000 0.248 10 I C 2.377 178.502 176.117 0.013 0.000 1.117 10 I CA 0.822 62.127 61.300 0.010 0.000 1.404 10 I CB -0.399 37.604 38.000 0.006 0.000 1.071 10 I HN 0.221 nan 8.210 nan 0.000 0.419 11 A N 0.570 123.402 122.820 0.020 0.000 1.986 11 A HA -0.209 4.112 4.320 0.001 0.000 0.220 11 A C 2.205 179.806 177.584 0.028 0.000 1.171 11 A CA 1.611 53.663 52.037 0.025 0.000 0.640 11 A CB -0.350 18.668 19.000 0.030 0.000 0.811 11 A HN 0.376 nan 8.150 nan 0.000 0.451 12 E N 0.144 120.361 120.200 0.027 0.000 2.033 12 E HA -0.054 4.296 4.350 0.001 0.000 0.189 12 E C 2.105 178.729 176.600 0.040 0.000 0.979 12 E CA 0.783 57.201 56.400 0.031 0.000 0.802 12 E CB -0.637 29.078 29.700 0.026 0.000 0.763 12 E HN 0.654 nan 8.360 nan 0.000 0.449 13 L N 1.466 122.711 121.223 0.036 0.000 2.189 13 L HA -0.170 4.171 4.340 0.001 0.000 0.214 13 L C 2.623 179.537 176.870 0.073 0.000 1.097 13 L CA 1.290 56.158 54.840 0.047 0.000 0.764 13 L CB -0.800 41.275 42.059 0.028 0.000 0.900 13 L HN 0.084 nan 8.230 nan 0.000 0.436 14 V N -3.638 116.307 119.914 0.052 0.000 2.535 14 V HA 0.064 4.184 4.120 0.001 0.000 0.246 14 V C 2.614 178.780 176.094 0.120 0.000 1.045 14 V CA 1.069 63.412 62.300 0.071 0.000 1.058 14 V CB -0.782 31.047 31.823 0.011 0.000 0.689 14 V HN 0.227 nan 8.190 nan 0.000 0.461 15 A N 1.621 124.487 122.820 0.077 0.000 1.940 15 A HA -0.291 4.030 4.320 0.001 0.000 0.219 15 A C 2.329 179.957 177.584 0.074 0.000 1.176 15 A CA 2.358 54.435 52.037 0.068 0.000 0.631 15 A CB -0.676 18.351 19.000 0.045 0.000 0.814 15 A HN 0.879 nan 8.150 nan 0.000 0.446 16 Q N -2.711 117.138 119.800 0.081 0.000 2.432 16 Q HA -0.041 4.300 4.340 0.001 0.000 0.205 16 Q C 1.702 177.749 176.000 0.079 0.000 0.945 16 Q CA 1.083 56.925 55.803 0.064 0.000 0.924 16 Q CB -0.420 28.350 28.738 0.052 0.000 1.016 16 Q HN 0.729 nan 8.270 nan 0.000 0.503 17 Y N 0.530 120.834 120.300 0.006 0.000 2.365 17 Y HA 0.211 4.762 4.550 0.001 0.000 0.293 17 Y C 2.277 178.180 175.900 0.006 0.000 1.119 17 Y CA 0.981 59.085 58.100 0.006 0.000 1.203 17 Y CB -0.047 38.416 38.460 0.005 0.000 1.026 17 Y HN 0.234 nan 8.280 nan 0.000 0.549 18 A N 0.352 123.272 122.820 0.165 0.000 1.897 18 A HA -0.120 4.201 4.320 0.001 0.000 0.215 18 A C 1.962 179.549 177.584 0.005 0.000 1.181 18 A CA 1.562 53.656 52.037 0.096 0.000 0.620 18 A CB -0.609 18.458 19.000 0.112 0.000 0.821 18 A HN 0.563 nan 8.150 nan 0.000 0.443 19 E N -0.717 119.487 120.200 0.006 0.000 2.267 19 E HA -0.128 4.223 4.350 0.001 0.000 0.197 19 E C 1.731 178.306 176.600 -0.043 0.000 0.998 19 E CA 1.551 57.945 56.400 -0.009 0.000 0.830 19 E CB -0.127 29.573 29.700 0.001 0.000 0.751 19 E HN 0.628 nan 8.360 nan 0.000 0.491 20 T N -0.062 114.436 114.554 -0.093 0.000 2.953 20 T HA 0.092 4.443 4.350 0.001 0.000 0.247 20 T C 1.852 176.455 174.700 -0.162 0.000 1.029 20 T CA 0.696 62.717 62.100 -0.131 0.000 1.144 20 T CB 0.023 68.782 68.868 -0.180 0.000 0.870 20 T HN 0.198 nan 8.240 nan 0.000 0.446 21 A N 1.725 124.400 122.820 -0.243 0.000 1.826 21 A HA 0.156 4.476 4.320 0.001 0.000 0.214 21 A C 1.440 178.981 177.584 -0.071 0.000 1.212 21 A CA 1.024 52.941 52.037 -0.199 0.000 0.605 21 A CB -0.643 18.194 19.000 -0.272 0.000 0.861 21 A HN 0.351 nan 8.150 nan 0.000 0.447 22 M N 1.124 120.708 119.600 -0.027 0.000 3.759 22 M HA 0.357 4.838 4.480 0.001 0.000 0.190 22 M C 0.019 176.325 176.300 0.009 0.000 1.478 22 M CA 0.182 55.489 55.300 0.011 0.000 1.691 22 M CB -0.627 31.996 32.600 0.039 0.000 1.113 22 M HN 0.360 nan 8.290 nan 0.000 0.542 23 A N 1.696 124.514 122.820 -0.004 0.000 2.318 23 A HA 0.803 5.124 4.320 0.001 0.000 0.324 23 A C -2.151 175.441 177.584 0.015 0.000 1.170 23 A CA -1.327 50.711 52.037 0.002 0.000 0.810 23 A CB 0.186 19.177 19.000 -0.015 0.000 1.198 23 A HN 0.411 nan 8.150 nan 0.000 0.484 24 P HA 0.170 nan 4.420 nan 0.000 0.266 24 P C -0.689 176.637 177.300 0.042 0.000 1.215 24 P CA -0.150 62.974 63.100 0.041 0.000 0.763 24 P CB 0.704 32.429 31.700 0.042 0.000 0.806 25 K N 5.432 125.865 120.400 0.056 0.000 2.276 25 K HA 0.321 4.641 4.320 0.001 0.000 0.283 25 K C -2.172 174.465 176.600 0.063 0.000 1.044 25 K CA -1.945 54.369 56.287 0.045 0.000 0.944 25 K CB -0.600 31.924 32.500 0.040 0.000 1.012 25 K HN 0.282 nan 8.250 nan 0.000 0.472 26 P HA -0.017 nan 4.420 nan 0.000 0.264 26 P C -0.885 176.424 177.300 0.015 0.000 1.193 26 P CA -0.096 63.020 63.100 0.026 0.000 0.763 26 P CB 0.151 31.847 31.700 -0.006 0.000 0.810 27 F N 2.700 122.559 119.950 -0.152 0.000 2.459 27 F HA 0.218 4.746 4.527 0.001 0.000 0.346 27 F C 0.556 176.230 175.800 -0.210 0.000 1.128 27 F CA -0.130 57.708 58.000 -0.271 0.000 1.268 27 F CB 0.657 39.337 39.000 -0.533 0.000 1.161 27 F HN 0.348 nan 8.300 nan 0.000 0.583 28 E N 4.780 124.178 120.200 -1.337 0.000 2.542 28 E HA 0.462 4.812 4.350 0.001 0.000 0.298 28 E C -1.186 174.723 176.600 -1.152 0.000 0.980 28 E CA -0.828 55.008 56.400 -0.940 0.000 0.792 28 E CB 0.887 30.311 29.700 -0.460 0.000 1.463 28 E HN 0.968 nan 8.360 nan 0.000 0.389 29 A N 2.361 124.490 122.820 -1.151 0.000 2.608 29 A HA 0.309 4.629 4.320 0.001 0.000 0.239 29 A C 1.436 178.717 177.584 -0.505 0.000 1.018 29 A CA 1.464 52.991 52.037 -0.851 0.000 0.766 29 A CB -0.462 18.389 19.000 -0.249 0.000 0.928 29 A HN 1.329 nan 8.150 nan 0.000 0.512 30 G N 1.577 110.094 108.800 -0.471 0.000 2.234 30 G HA2 -0.327 3.633 3.960 0.001 0.000 0.260 30 G HA3 -0.327 3.633 3.960 0.001 0.000 0.260 30 G C 0.946 175.735 174.900 -0.185 0.000 0.987 30 G CA 1.231 46.224 45.100 -0.179 0.000 0.625 30 G HN 1.058 nan 8.290 nan 0.000 0.532 31 K N -0.118 120.114 120.400 -0.280 0.000 2.354 31 K HA 0.371 4.691 4.320 0.001 0.000 0.210 31 K C 1.176 177.668 176.600 -0.180 0.000 1.184 31 K CA 0.644 56.813 56.287 -0.198 0.000 0.880 31 K CB 0.182 32.565 32.500 -0.195 0.000 1.328 31 K HN 0.256 nan 8.250 nan 0.000 0.466 32 S N 2.021 117.554 115.700 -0.277 0.000 2.560 32 S HA 0.096 4.566 4.470 0.001 0.000 0.284 32 S C 0.016 174.638 174.600 0.036 0.000 1.327 32 S CA -0.442 57.692 58.200 -0.109 0.000 1.055 32 S CB 1.102 64.213 63.200 -0.147 0.000 0.868 32 S HN 0.260 nan 8.310 nan 0.000 0.506 33 V N 0.845 120.842 119.914 0.138 0.000 2.716 33 V HA 0.692 4.812 4.120 0.001 0.000 0.304 33 V C -0.217 176.029 176.094 0.254 0.000 1.053 33 V CA -0.743 61.651 62.300 0.157 0.000 0.984 33 V CB 1.446 33.327 31.823 0.097 0.000 1.021 33 V HN 0.512 nan 8.190 nan 0.000 0.467 34 V N 4.839 124.892 119.914 0.231 0.000 2.260 34 V HA 0.353 4.474 4.120 0.001 0.000 0.263 34 V C -2.051 174.132 176.094 0.149 0.000 1.036 34 V CA -1.231 61.190 62.300 0.203 0.000 0.874 34 V CB 0.627 32.613 31.823 0.271 0.000 1.116 34 V HN 0.905 nan 8.190 nan 0.000 0.454 35 P HA 0.195 nan 4.420 nan 0.000 0.272 35 P C -2.102 175.287 177.300 0.148 0.000 1.230 35 P CA -1.282 61.883 63.100 0.109 0.000 0.788 35 P CB 0.895 32.641 31.700 0.075 0.000 0.949 36 P HA -0.035 nan 4.420 nan 0.000 0.236 36 P C 0.183 177.533 177.300 0.083 0.000 1.177 36 P CA 0.798 63.926 63.100 0.046 0.000 0.773 36 P CB 0.267 31.782 31.700 -0.309 0.000 0.878 37 S N -2.792 112.738 115.700 -0.283 0.000 2.643 37 S HA 0.684 5.154 4.470 0.001 0.000 0.266 37 S C -0.719 173.145 174.600 -1.227 0.000 1.130 37 S CA -0.140 57.540 58.200 -0.867 0.000 0.817 37 S CB 1.311 64.296 63.200 -0.358 0.000 1.107 37 S HN 0.358 nan 8.310 nan 0.000 0.471 38 G N 0.415 108.453 108.800 -1.270 0.000 2.340 38 G HA2 0.473 4.434 3.960 0.001 0.000 0.300 38 G HA3 0.473 4.434 3.960 0.001 0.000 0.300 38 G C -1.822 172.857 174.900 -0.369 0.000 1.488 38 G CA -0.511 44.186 45.100 -0.672 0.000 0.878 38 G HN 1.000 nan 8.290 nan 0.000 0.618 39 K N -0.886 119.414 120.400 -0.167 0.000 2.118 39 K HA 0.737 5.057 4.320 0.001 0.000 0.264 39 K C -0.817 175.785 176.600 0.004 0.000 1.000 39 K CA -0.795 55.445 56.287 -0.077 0.000 0.929 39 K CB 2.238 34.704 32.500 -0.056 0.000 1.021 39 K HN 0.329 nan 8.250 nan 0.000 0.463 40 V N 4.314 124.240 119.914 0.021 0.000 2.340 40 V HA 0.284 4.404 4.120 0.001 0.000 0.277 40 V C -0.377 175.834 176.094 0.196 0.000 1.017 40 V CA -0.681 61.675 62.300 0.092 0.000 0.820 40 V CB 0.199 32.033 31.823 0.019 0.000 1.028 40 V HN 0.796 nan 8.190 nan 0.000 0.436 41 I N 1.258 121.903 120.570 0.125 0.000 2.569 41 I HA 1.046 5.217 4.170 0.001 0.000 0.296 41 I C 0.404 176.574 176.117 0.088 0.000 1.028 41 I CA -0.369 60.998 61.300 0.111 0.000 1.082 41 I CB 2.241 40.282 38.000 0.068 0.000 1.264 41 I HN 0.474 nan 8.210 nan 0.000 0.429 42 G N 2.844 111.689 108.800 0.076 0.000 3.234 42 G HA2 0.344 4.305 3.960 0.001 0.000 0.159 42 G HA3 0.344 4.305 3.960 0.001 0.000 0.159 42 G C 0.310 175.240 174.900 0.051 0.000 1.175 42 G CA 0.143 45.280 45.100 0.060 0.000 0.900 42 G HN 0.585 nan 8.290 nan 0.000 0.621 43 T N 0.163 114.744 114.554 0.045 0.000 2.701 43 T HA -0.067 4.284 4.350 0.001 0.000 0.263 43 T C 2.337 177.055 174.700 0.031 0.000 1.040 43 T CA 1.652 63.779 62.100 0.044 0.000 1.147 43 T CB -0.227 68.665 68.868 0.040 0.000 0.865 43 T HN 0.297 nan 8.240 nan 0.000 0.426 44 K N 1.322 121.736 120.400 0.023 0.000 2.059 44 K HA -0.168 4.152 4.320 0.001 0.000 0.212 44 K C 2.098 178.701 176.600 0.005 0.000 1.050 44 K CA 1.579 57.876 56.287 0.016 0.000 0.927 44 K CB -0.341 32.165 32.500 0.010 0.000 0.714 44 K HN 0.239 nan 8.250 nan 0.000 0.447 45 E N 0.010 120.213 120.200 0.006 0.000 2.012 45 E HA -0.163 4.187 4.350 0.001 0.000 0.197 45 E C 1.934 178.516 176.600 -0.030 0.000 1.007 45 E CA 1.576 57.968 56.400 -0.012 0.000 0.816 45 E CB -0.437 29.268 29.700 0.008 0.000 0.762 45 E HN 0.125 nan 8.360 nan 0.000 0.451 46 L N 1.090 122.310 121.223 -0.005 0.000 2.127 46 L HA -0.229 4.112 4.340 0.001 0.000 0.211 46 L C 2.286 179.140 176.870 -0.028 0.000 1.089 46 L CA 1.669 56.502 54.840 -0.013 0.000 0.757 46 L CB -0.612 41.463 42.059 0.026 0.000 0.899 46 L HN 0.181 nan 8.230 nan 0.000 0.434 47 Q N -0.730 119.063 119.800 -0.011 0.000 1.993 47 Q HA -0.181 4.159 4.340 0.001 0.000 0.202 47 Q C 2.330 178.311 176.000 -0.031 0.000 0.984 47 Q CA 1.440 57.240 55.803 -0.006 0.000 0.837 47 Q CB -0.348 28.401 28.738 0.019 0.000 0.902 47 Q HN 0.465 nan 8.270 nan 0.000 0.423 48 L N 0.137 121.326 121.223 -0.057 0.000 2.079 48 L HA -0.206 4.135 4.340 0.001 0.000 0.210 48 L C 2.485 179.150 176.870 -0.342 0.000 1.081 48 L CA 1.045 55.784 54.840 -0.168 0.000 0.752 48 L CB -0.524 41.424 42.059 -0.185 0.000 0.896 48 L HN 0.376 nan 8.230 nan 0.000 0.433 49 M N -0.956 118.504 119.600 -0.233 0.000 2.296 49 M HA -0.139 4.342 4.480 0.001 0.000 0.265 49 M C 2.207 178.420 176.300 -0.145 0.000 1.064 49 M CA 1.113 56.283 55.300 -0.217 0.000 1.109 49 M CB -0.284 32.233 32.600 -0.138 0.000 1.396 49 M HN 0.111 nan 8.290 nan 0.000 0.430 50 V N 0.003 119.860 119.914 -0.096 0.000 2.488 50 V HA -0.160 3.960 4.120 0.001 0.000 0.246 50 V C 2.224 178.311 176.094 -0.013 0.000 1.046 50 V CA 1.445 63.716 62.300 -0.048 0.000 1.053 50 V CB -0.592 31.210 31.823 -0.034 0.000 0.679 50 V HN 0.415 nan 8.190 nan 0.000 0.458 51 E N 0.588 120.787 120.200 -0.001 0.000 2.085 51 E HA -0.243 4.108 4.350 0.001 0.000 0.194 51 E C 2.335 179.038 176.600 0.172 0.000 0.994 51 E CA 1.621 58.092 56.400 0.119 0.000 0.801 51 E CB -0.240 29.619 29.700 0.265 0.000 0.743 51 E HN 0.581 nan 8.360 nan 0.000 0.453 52 A N 0.848 123.664 122.820 -0.006 0.000 1.929 52 A HA -0.102 4.218 4.320 0.001 0.000 0.216 52 A C 2.397 180.031 177.584 0.084 0.000 1.176 52 A CA 1.348 53.429 52.037 0.075 0.000 0.628 52 A CB -0.270 18.593 19.000 -0.228 0.000 0.816 52 A HN 0.105 nan 8.150 nan 0.000 0.444 53 S N -0.073 115.637 115.700 0.016 0.000 2.399 53 S HA -0.054 4.416 4.470 0.001 0.000 0.231 53 S C 1.766 176.398 174.600 0.054 0.000 1.022 53 S CA 1.319 59.533 58.200 0.023 0.000 0.983 53 S CB -0.361 62.833 63.200 -0.009 0.000 0.803 53 S HN 0.521 nan 8.310 nan 0.000 0.480 54 L N 1.148 122.412 121.223 0.067 0.000 2.095 54 L HA -0.071 4.270 4.340 0.001 0.000 0.204 54 L C 2.100 179.032 176.870 0.103 0.000 1.080 54 L CA 0.853 55.737 54.840 0.073 0.000 0.759 54 L CB -0.699 41.399 42.059 0.066 0.000 0.914 54 L HN 0.150 nan 8.230 nan 0.000 0.439 55 D N 0.809 121.298 120.400 0.148 0.000 2.170 55 D HA -0.209 4.432 4.640 0.001 0.000 0.193 55 D C 1.737 178.148 176.300 0.186 0.000 1.004 55 D CA 1.772 55.878 54.000 0.176 0.000 0.860 55 D CB -0.323 40.632 40.800 0.257 0.000 0.931 55 D HN 0.457 nan 8.370 nan 0.000 0.448 56 G N -0.315 108.593 108.800 0.180 0.000 2.155 56 G HA2 -0.309 3.652 3.960 0.001 0.000 0.257 56 G HA3 -0.309 3.652 3.960 0.001 0.000 0.257 56 G C 0.652 175.702 174.900 0.251 0.000 0.983 56 G CA 0.598 45.797 45.100 0.166 0.000 0.676 56 G HN 0.494 nan 8.290 nan 0.000 0.528 57 W N -0.361 120.977 121.300 0.064 0.000 2.539 57 W HA 0.232 4.893 4.660 0.001 0.000 0.299 57 W C 1.761 178.320 176.519 0.067 0.000 1.165 57 W CA 1.603 58.987 57.345 0.065 0.000 1.400 57 W CB -0.081 29.425 29.460 0.077 0.000 1.123 57 W HN 0.420 nan 8.180 nan 0.000 0.533 58 L N -1.237 119.973 121.223 -0.022 0.000 3.846 58 L HA -0.287 4.054 4.340 0.001 0.000 0.105 58 L C 1.066 177.796 176.870 -0.234 0.000 4.242 58 L CA 1.599 56.347 54.840 -0.153 0.000 0.802 58 L CB -2.487 39.463 42.059 -0.182 0.000 3.463 58 L HN 0.078 nan 8.230 nan 0.000 0.994 59 T N 0.401 114.663 114.554 -0.487 0.000 2.640 59 T HA 0.301 4.652 4.350 0.001 0.000 0.316 59 T C 0.632 175.232 174.700 -0.165 0.000 1.036 59 T CA 0.275 62.179 62.100 -0.328 0.000 1.009 59 T CB 0.477 69.107 68.868 -0.396 0.000 1.017 59 T HN 0.567 nan 8.240 nan 0.000 0.530 60 T N -1.666 112.903 114.554 0.024 0.000 2.903 60 T HA 0.530 4.880 4.350 0.001 0.000 0.314 60 T C 0.852 175.790 174.700 0.398 0.000 1.078 60 T CA -0.220 61.990 62.100 0.182 0.000 1.114 60 T CB 0.512 69.472 68.868 0.153 0.000 0.987 60 T HN 1.256 nan 8.240 nan 0.000 0.548 61 G N 1.505 110.549 108.800 0.406 0.000 2.927 61 G HA2 0.155 4.116 3.960 0.001 0.000 0.111 61 G HA3 0.155 4.116 3.960 0.001 0.000 0.111 61 G C 0.662 175.678 174.900 0.194 0.000 1.198 61 G CA 0.025 45.358 45.100 0.388 0.000 1.382 61 G HN 0.746 nan 8.290 nan 0.000 0.663 62 R N -0.316 120.235 120.500 0.084 0.000 2.136 62 R HA -0.113 4.227 4.340 0.001 0.000 0.242 62 R C 2.391 178.616 176.300 -0.125 0.000 1.131 62 R CA 2.719 58.755 56.100 -0.107 0.000 0.937 62 R CB -0.625 29.518 30.300 -0.263 0.000 0.863 62 R HN 0.358 nan 8.270 nan 0.000 0.435 63 F N 0.501 120.519 119.950 0.113 0.000 2.206 63 F HA -0.066 4.461 4.527 0.001 0.000 0.298 63 F C 2.361 178.251 175.800 0.150 0.000 1.090 63 F CA 1.428 59.495 58.000 0.112 0.000 1.323 63 F CB -0.527 38.527 39.000 0.090 0.000 1.028 63 F HN 0.255 nan 8.300 nan 0.000 0.492 64 N N 0.302 119.196 118.700 0.323 0.000 2.166 64 N HA -0.190 4.550 4.740 0.001 0.000 0.186 64 N C 1.461 177.129 175.510 0.264 0.000 1.019 64 N CA 1.671 54.886 53.050 0.274 0.000 0.856 64 N CB -0.210 38.410 38.487 0.222 0.000 0.993 64 N HN 0.092 nan 8.380 nan 0.000 0.426 65 D N -0.148 120.367 120.400 0.191 0.000 2.097 65 D HA -0.100 4.540 4.640 0.001 0.000 0.197 65 D C 1.815 178.191 176.300 0.128 0.000 0.984 65 D CA 1.315 55.400 54.000 0.141 0.000 0.826 65 D CB -0.484 40.365 40.800 0.082 0.000 0.973 65 D HN 0.417 nan 8.370 nan 0.000 0.460 66 A N 0.586 123.475 122.820 0.115 0.000 1.908 66 A HA -0.192 4.129 4.320 0.001 0.000 0.218 66 A C 2.100 179.758 177.584 0.123 0.000 1.181 66 A CA 1.111 53.202 52.037 0.091 0.000 0.627 66 A CB -0.953 18.090 19.000 0.072 0.000 0.818 66 A HN 0.258 nan 8.150 nan 0.000 0.445 67 F N 0.617 120.616 119.950 0.081 0.000 2.084 67 F HA -0.094 4.433 4.527 0.001 0.000 0.296 67 F C 2.193 178.033 175.800 0.067 0.000 1.111 67 F CA 2.093 60.129 58.000 0.060 0.000 1.224 67 F CB -0.289 38.749 39.000 0.063 0.000 0.991 67 F HN 0.321 nan 8.300 nan 0.000 0.471 68 E N 0.158 120.506 120.200 0.247 0.000 2.160 68 E HA -0.264 4.087 4.350 0.001 0.000 0.195 68 E C 2.125 178.738 176.600 0.023 0.000 0.991 68 E CA 1.341 57.841 56.400 0.167 0.000 0.810 68 E CB -0.143 29.702 29.700 0.242 0.000 0.742 68 E HN 0.409 nan 8.360 nan 0.000 0.466 69 K N 1.292 121.698 120.400 0.011 0.000 1.991 69 K HA -0.157 4.164 4.320 0.001 0.000 0.207 69 K C 2.128 178.682 176.600 -0.076 0.000 1.045 69 K CA 1.238 57.515 56.287 -0.017 0.000 0.937 69 K CB 0.022 32.523 32.500 0.001 0.000 0.720 69 K HN -0.152 nan 8.250 nan 0.000 0.438 70 K N 0.680 121.011 120.400 -0.116 0.000 2.209 70 K HA -0.086 4.235 4.320 0.001 0.000 0.204 70 K C 2.059 178.546 176.600 -0.189 0.000 1.048 70 K CA 0.685 56.888 56.287 -0.139 0.000 0.940 70 K CB 0.021 32.436 32.500 -0.141 0.000 0.729 70 K HN 0.182 nan 8.250 nan 0.000 0.451 71 L N 0.104 121.133 121.223 -0.323 0.000 2.179 71 L HA 0.010 4.350 4.340 0.001 0.000 0.208 71 L C 1.975 178.762 176.870 -0.138 0.000 1.096 71 L CA 1.921 56.576 54.840 -0.307 0.000 0.779 71 L CB -1.199 40.538 42.059 -0.536 0.000 0.922 71 L HN 0.332 nan 8.230 nan 0.000 0.443 72 G N -0.413 108.319 108.800 -0.113 0.000 2.422 72 G HA2 -0.234 3.727 3.960 0.001 0.000 0.218 72 G HA3 -0.234 3.727 3.960 0.001 0.000 0.218 72 G C 1.364 176.206 174.900 -0.096 0.000 1.140 72 G CA 0.554 45.601 45.100 -0.088 0.000 0.775 72 G HN 0.503 nan 8.290 nan 0.000 0.545 73 E N -0.590 119.564 120.200 -0.077 0.000 2.016 73 E HA -0.112 4.238 4.350 0.001 0.000 0.190 73 E C 2.091 178.654 176.600 -0.060 0.000 0.985 73 E CA 0.838 57.198 56.400 -0.067 0.000 0.802 73 E CB -0.343 29.327 29.700 -0.049 0.000 0.762 73 E HN 0.448 nan 8.360 nan 0.000 0.448 74 Y N 1.663 121.871 120.300 -0.154 0.000 2.102 74 Y HA -0.253 4.297 4.550 0.001 0.000 0.280 74 Y C 1.939 177.742 175.900 -0.162 0.000 1.178 74 Y CA 1.588 59.599 58.100 -0.148 0.000 1.146 74 Y CB -0.147 38.217 38.460 -0.159 0.000 0.968 74 Y HN -0.037 nan 8.280 nan 0.000 0.504 75 L N -0.901 120.234 121.223 -0.147 0.000 2.240 75 L HA 0.085 4.425 4.340 0.001 0.000 0.211 75 L C 1.592 178.314 176.870 -0.248 0.000 1.106 75 L CA 0.812 55.488 54.840 -0.272 0.000 0.793 75 L CB -0.693 41.137 42.059 -0.381 0.000 0.927 75 L HN 0.508 nan 8.230 nan 0.000 0.446 76 G N 1.066 109.750 108.800 -0.193 0.000 2.248 76 G HA2 -0.183 3.777 3.960 0.001 0.000 0.252 76 G HA3 -0.183 3.777 3.960 0.001 0.000 0.252 76 G C -0.127 174.692 174.900 -0.134 0.000 1.085 76 G CA 0.171 45.175 45.100 -0.160 0.000 0.845 76 G HN 0.299 nan 8.290 nan 0.000 0.494 77 V N -3.305 116.532 119.914 -0.128 0.000 2.841 77 V HA 0.904 5.024 4.120 0.001 0.000 0.310 77 V C -1.075 174.935 176.094 -0.140 0.000 1.090 77 V CA -1.301 60.942 62.300 -0.095 0.000 0.930 77 V CB 2.132 33.952 31.823 -0.006 0.000 1.014 77 V HN 0.030 nan 8.190 nan 0.000 0.425 78 P HA 0.078 nan 4.420 nan 0.000 0.221 78 P C -0.319 176.702 177.300 -0.465 0.000 1.155 78 P CA 0.959 63.769 63.100 -0.483 0.000 0.812 78 P CB 0.134 31.336 31.700 -0.831 0.000 0.801 79 Y N -0.130 120.226 120.300 0.094 0.000 2.334 79 Y HA 0.469 5.019 4.550 0.001 0.000 0.336 79 Y C 0.037 176.042 175.900 0.174 0.000 0.960 79 Y CA -1.335 56.837 58.100 0.119 0.000 1.164 79 Y CB 1.714 40.242 38.460 0.112 0.000 1.155 79 Y HN -0.360 nan 8.280 nan 0.000 0.478 80 V N 5.771 125.874 119.914 0.314 0.000 2.525 80 V HA 0.425 4.546 4.120 0.001 0.000 0.299 80 V C -0.625 175.639 176.094 0.283 0.000 1.034 80 V CA -0.872 61.617 62.300 0.315 0.000 0.863 80 V CB 1.944 33.917 31.823 0.252 0.000 0.999 80 V HN 0.605 nan 8.190 nan 0.000 0.423 81 L N 4.922 126.302 121.223 0.262 0.000 2.305 81 L HA 0.585 4.925 4.340 0.001 0.000 0.284 81 L C 0.663 177.660 176.870 0.212 0.000 1.013 81 L CA -0.389 54.572 54.840 0.203 0.000 0.819 81 L CB 2.260 44.399 42.059 0.133 0.000 1.227 81 L HN 0.777 nan 8.230 nan 0.000 0.417 82 T N -0.950 113.737 114.554 0.222 0.000 2.882 82 T HA 0.528 4.878 4.350 0.001 0.000 0.287 82 T C -0.016 174.744 174.700 0.099 0.000 1.014 82 T CA -0.456 61.772 62.100 0.212 0.000 1.049 82 T CB 2.157 71.150 68.868 0.208 0.000 1.001 82 T HN 0.598 nan 8.240 nan 0.000 0.525 83 T N -0.940 113.649 114.554 0.059 0.000 2.731 83 T HA 0.443 4.793 4.350 0.001 0.000 0.300 83 T C 1.472 176.160 174.700 -0.020 0.000 1.283 83 T CA 0.143 62.238 62.100 -0.008 0.000 1.005 83 T CB 1.102 69.941 68.868 -0.049 0.000 1.420 83 T HN 0.962 nan 8.240 nan 0.000 0.503 84 T N -0.140 114.385 114.554 -0.048 0.000 2.929 84 T HA 0.231 4.581 4.350 0.001 0.000 0.271 84 T C 0.780 175.460 174.700 -0.033 0.000 1.085 84 T CA 1.421 63.499 62.100 -0.036 0.000 1.125 84 T CB -0.500 68.339 68.868 -0.049 0.000 0.874 84 T HN 1.207 nan 8.240 nan 0.000 0.494 85 S N -2.522 113.133 115.700 -0.074 0.000 2.643 85 S HA 0.573 5.043 4.470 0.001 0.000 0.266 85 S C 1.071 175.575 174.600 -0.160 0.000 1.130 85 S CA -0.450 57.694 58.200 -0.094 0.000 0.817 85 S CB 0.774 63.926 63.200 -0.080 0.000 1.107 85 S HN 0.236 nan 8.310 nan 0.000 0.471 86 G N 1.229 109.912 108.800 -0.194 0.000 2.418 86 G HA2 -0.075 3.886 3.960 0.001 0.000 0.217 86 G HA3 -0.075 3.886 3.960 0.001 0.000 0.217 86 G C 1.311 176.101 174.900 -0.183 0.000 1.158 86 G CA 1.253 46.219 45.100 -0.223 0.000 0.771 86 G HN 0.834 nan 8.290 nan 0.000 0.545 87 S N 0.866 116.471 115.700 -0.157 0.000 2.359 87 S HA -0.130 4.341 4.470 0.001 0.000 0.224 87 S C 2.692 177.203 174.600 -0.147 0.000 1.035 87 S CA 1.459 59.592 58.200 -0.112 0.000 1.018 87 S CB -0.336 62.824 63.200 -0.067 0.000 0.876 87 S HN 0.351 nan 8.310 nan 0.000 0.448 88 S N 1.333 116.938 115.700 -0.159 0.000 2.382 88 S HA -0.029 4.441 4.470 0.001 0.000 0.228 88 S C 2.241 176.723 174.600 -0.196 0.000 1.027 88 S CA 0.927 59.011 58.200 -0.193 0.000 0.991 88 S CB -0.463 62.637 63.200 -0.167 0.000 0.823 88 S HN 0.603 nan 8.310 nan 0.000 0.469 89 A N 2.041 124.757 122.820 -0.173 0.000 1.877 89 A HA -0.156 4.164 4.320 0.001 0.000 0.216 89 A C 1.851 179.323 177.584 -0.187 0.000 1.186 89 A CA 1.704 53.638 52.037 -0.172 0.000 0.620 89 A CB -0.887 18.007 19.000 -0.176 0.000 0.822 89 A HN 0.628 nan 8.150 nan 0.000 0.443 90 N N -0.587 118.007 118.700 -0.176 0.000 2.104 90 N HA -0.167 4.574 4.740 0.001 0.000 0.190 90 N C 1.675 177.076 175.510 -0.183 0.000 1.024 90 N CA 1.255 54.207 53.050 -0.163 0.000 0.853 90 N CB -0.221 38.192 38.487 -0.123 0.000 1.008 90 N HN 0.401 nan 8.380 nan 0.000 0.424 91 L N 1.421 122.520 121.223 -0.207 0.000 2.017 91 L HA -0.088 4.253 4.340 0.001 0.000 0.208 91 L C 1.816 178.511 176.870 -0.293 0.000 1.073 91 L CA 1.440 56.127 54.840 -0.256 0.000 0.745 91 L CB -0.593 41.265 42.059 -0.335 0.000 0.894 91 L HN 0.189 nan 8.230 nan 0.000 0.432 92 L N -0.640 120.416 121.223 -0.278 0.000 2.046 92 L HA -0.198 4.143 4.340 0.001 0.000 0.208 92 L C 2.689 179.405 176.870 -0.257 0.000 1.077 92 L CA 1.224 55.913 54.840 -0.252 0.000 0.747 92 L CB -1.003 40.959 42.059 -0.161 0.000 0.896 92 L HN 0.396 nan 8.230 nan 0.000 0.432 93 A N -0.096 122.589 122.820 -0.226 0.000 1.883 93 A HA -0.217 4.104 4.320 0.001 0.000 0.217 93 A C 2.251 179.681 177.584 -0.257 0.000 1.186 93 A CA 1.655 53.559 52.037 -0.222 0.000 0.624 93 A CB -0.743 18.136 19.000 -0.202 0.000 0.822 93 A HN 0.343 nan 8.150 nan 0.000 0.444 94 L N -0.291 120.785 121.223 -0.246 0.000 2.109 94 L HA -0.065 4.275 4.340 0.001 0.000 0.207 94 L C 2.250 178.933 176.870 -0.313 0.000 1.086 94 L CA 2.562 57.253 54.840 -0.247 0.000 0.760 94 L CB -1.565 40.382 42.059 -0.185 0.000 0.910 94 L HN 0.402 nan 8.230 nan 0.000 0.437 95 T N 0.656 114.982 114.554 -0.380 0.000 2.777 95 T HA -0.091 4.260 4.350 0.001 0.000 0.266 95 T C 1.978 176.227 174.700 -0.751 0.000 1.040 95 T CA 1.244 63.007 62.100 -0.563 0.000 1.141 95 T CB -0.242 68.220 68.868 -0.676 0.000 0.868 95 T HN 0.502 nan 8.240 nan 0.000 0.444 96 A N 1.387 123.838 122.820 -0.615 0.000 1.986 96 A HA -0.028 4.292 4.320 0.001 0.000 0.220 96 A C 2.055 179.461 177.584 -0.297 0.000 1.171 96 A CA 1.203 53.020 52.037 -0.366 0.000 0.640 96 A CB -0.832 18.033 19.000 -0.224 0.000 0.811 96 A HN 0.535 nan 8.150 nan 0.000 0.451 97 L N 0.126 121.099 121.223 -0.416 0.000 2.599 97 L HA -0.019 4.322 4.340 0.001 0.000 0.230 97 L C 2.138 178.832 176.870 -0.293 0.000 1.141 97 L CA 1.104 55.625 54.840 -0.532 0.000 0.877 97 L CB -0.409 41.164 42.059 -0.809 0.000 1.009 97 L HN 0.615 nan 8.230 nan 0.000 0.447 98 T N -5.330 109.111 114.554 -0.188 0.000 3.086 98 T HA 0.021 4.372 4.350 0.001 0.000 0.250 98 T C 0.984 175.730 174.700 0.076 0.000 1.074 98 T CA -0.163 61.903 62.100 -0.056 0.000 0.988 98 T CB 0.134 68.963 68.868 -0.066 0.000 0.988 98 T HN 0.106 nan 8.240 nan 0.000 0.530 99 S N 3.685 119.452 115.700 0.112 0.000 2.544 99 S HA 0.142 4.612 4.470 0.001 0.000 0.290 99 S C -0.944 173.763 174.600 0.178 0.000 1.276 99 S CA -1.189 57.147 58.200 0.226 0.000 1.075 99 S CB 0.818 64.130 63.200 0.186 0.000 0.849 99 S HN 0.231 nan 8.310 nan 0.000 0.494 100 P HA -0.077 nan 4.420 nan 0.000 0.228 100 P C 0.516 177.889 177.300 0.121 0.000 1.151 100 P CA 0.874 64.051 63.100 0.128 0.000 0.770 100 P CB 0.077 31.837 31.700 0.101 0.000 0.786 101 K N -0.567 119.923 120.400 0.150 0.000 2.442 101 K HA 0.005 4.326 4.320 0.001 0.000 0.198 101 K C 1.119 177.796 176.600 0.127 0.000 1.042 101 K CA 0.495 56.858 56.287 0.128 0.000 0.958 101 K CB -0.151 32.437 32.500 0.147 0.000 0.766 101 K HN 0.145 nan 8.250 nan 0.000 0.474 102 L N 0.362 121.670 121.223 0.141 0.000 2.685 102 L HA 0.147 4.488 4.340 0.001 0.000 0.233 102 L C 1.318 178.291 176.870 0.172 0.000 1.173 102 L CA 0.483 55.433 54.840 0.184 0.000 0.961 102 L CB -1.275 40.918 42.059 0.223 0.000 1.217 102 L HN 0.246 nan 8.230 nan 0.000 0.478 103 G N 0.779 109.654 108.800 0.126 0.000 2.660 103 G HA2 -0.428 3.533 3.960 0.001 0.000 0.338 103 G HA3 -0.428 3.533 3.960 0.001 0.000 0.338 103 G C 1.323 176.289 174.900 0.110 0.000 1.336 103 G CA 0.793 45.955 45.100 0.103 0.000 0.990 103 G HN 0.153 nan 8.290 nan 0.000 0.537 104 V N 1.641 121.611 119.914 0.094 0.000 2.546 104 V HA -0.132 3.989 4.120 0.001 0.000 0.254 104 V C 2.861 179.029 176.094 0.124 0.000 1.076 104 V CA 2.955 65.308 62.300 0.088 0.000 1.087 104 V CB -0.436 31.424 31.823 0.060 0.000 0.674 104 V HN 0.579 nan 8.190 nan 0.000 0.470 105 R N 0.148 120.753 120.500 0.176 0.000 2.307 105 R HA 0.184 4.524 4.340 0.001 0.000 0.199 105 R C 0.883 177.450 176.300 0.445 0.000 1.000 105 R CA 0.644 56.926 56.100 0.304 0.000 1.023 105 R CB -0.527 29.992 30.300 0.365 0.000 0.908 105 R HN 0.548 nan 8.270 nan 0.000 0.473 106 A N 1.599 124.569 122.820 0.250 0.000 2.440 106 A HA 0.259 4.579 4.320 0.001 0.000 0.251 106 A C 0.352 178.005 177.584 0.115 0.000 1.089 106 A CA -0.315 51.814 52.037 0.152 0.000 0.779 106 A CB 0.238 19.302 19.000 0.107 0.000 1.022 106 A HN 0.202 nan 8.150 nan 0.000 0.492 107 L N 2.254 123.502 121.223 0.041 0.000 2.416 107 L HA 0.235 4.575 4.340 0.001 0.000 0.272 107 L C 0.310 177.191 176.870 0.019 0.000 1.161 107 L CA 0.377 55.232 54.840 0.024 0.000 0.845 107 L CB 0.330 42.360 42.059 -0.049 0.000 1.119 107 L HN 0.719 nan 8.230 nan 0.000 0.464 108 K N 3.458 123.873 120.400 0.026 0.000 2.385 108 K HA 0.501 4.821 4.320 0.001 0.000 0.248 108 K C -2.559 174.048 176.600 0.011 0.000 0.955 108 K CA -1.964 54.337 56.287 0.022 0.000 0.816 108 K CB 1.550 34.070 32.500 0.032 0.000 1.250 108 K HN 0.201 nan 8.250 nan 0.000 0.434 109 P HA -0.077 nan 4.420 nan 0.000 0.265 109 P C 0.584 177.887 177.300 0.004 0.000 1.187 109 P CA 1.197 64.298 63.100 0.002 0.000 0.766 109 P CB 0.514 32.216 31.700 0.004 0.000 0.820 110 G N 1.696 110.496 108.800 -0.001 0.000 2.317 110 G HA2 -0.192 3.769 3.960 0.001 0.000 0.227 110 G HA3 -0.192 3.769 3.960 0.001 0.000 0.227 110 G C 0.106 175.006 174.900 -0.001 0.000 1.042 110 G CA -0.171 44.929 45.100 -0.000 0.000 0.623 110 G HN 0.514 nan 8.290 nan 0.000 0.509 111 D N 1.667 122.069 120.400 0.003 0.000 2.361 111 D HA 0.499 5.139 4.640 0.001 0.000 0.239 111 D C 0.696 176.990 176.300 -0.010 0.000 1.200 111 D CA 0.404 54.407 54.000 0.005 0.000 0.915 111 D CB 0.489 41.301 40.800 0.020 0.000 1.170 111 D HN 0.606 nan 8.370 nan 0.000 0.444 112 E N -0.429 119.762 120.200 -0.016 0.000 2.212 112 E HA 0.524 4.875 4.350 0.001 0.000 0.268 112 E C -0.993 175.577 176.600 -0.051 0.000 0.902 112 E CA -0.934 55.442 56.400 -0.040 0.000 0.779 112 E CB 2.236 31.907 29.700 -0.049 0.000 1.172 112 E HN 0.018 nan 8.360 nan 0.000 0.409 113 V N 3.409 123.272 119.914 -0.085 0.000 2.444 113 V HA 0.285 4.406 4.120 0.001 0.000 0.294 113 V C -0.343 175.653 176.094 -0.164 0.000 1.022 113 V CA -0.800 61.439 62.300 -0.101 0.000 0.850 113 V CB 1.144 32.906 31.823 -0.101 0.000 0.992 113 V HN 0.569 nan 8.190 nan 0.000 0.426 114 I N 4.395 124.874 120.570 -0.152 0.000 2.474 114 I HA 0.622 4.793 4.170 0.001 0.000 0.287 114 I C 0.555 176.546 176.117 -0.210 0.000 1.048 114 I CA 1.228 62.417 61.300 -0.186 0.000 1.383 114 I CB 1.588 39.495 38.000 -0.155 0.000 1.412 114 I HN 0.896 nan 8.210 nan 0.000 0.531 115 T N 4.645 119.054 114.554 -0.241 0.000 2.649 115 T HA 0.673 5.023 4.350 0.001 0.000 0.305 115 T C -1.535 173.118 174.700 -0.077 0.000 1.409 115 T CA -0.245 61.739 62.100 -0.194 0.000 1.021 115 T CB 0.622 69.372 68.868 -0.198 0.000 1.726 115 T HN 0.497 nan 8.240 nan 0.000 0.475 116 V N -0.211 119.733 119.914 0.050 0.000 2.960 116 V HA 0.979 5.099 4.120 0.001 0.000 0.315 116 V C 0.868 177.159 176.094 0.328 0.000 1.087 116 V CA -0.055 62.356 62.300 0.186 0.000 0.982 116 V CB 1.200 33.056 31.823 0.055 0.000 1.039 116 V HN 1.196 nan 8.190 nan 0.000 0.437 117 A N 1.666 124.572 122.820 0.143 0.000 2.238 117 A HA 0.689 5.009 4.320 0.001 0.000 0.210 117 A C 1.389 178.891 177.584 -0.137 0.000 1.179 117 A CA 0.668 52.562 52.037 -0.238 0.000 0.827 117 A CB -0.360 18.211 19.000 -0.715 0.000 0.856 117 A HN 1.786 nan 8.150 nan 0.000 0.488 118 A N 0.345 123.159 122.820 -0.010 0.000 3.094 118 A HA 0.606 4.927 4.320 0.001 0.000 0.288 118 A C 0.648 178.308 177.584 0.126 0.000 1.519 118 A CA 0.308 52.374 52.037 0.049 0.000 1.227 118 A CB -0.896 18.151 19.000 0.079 0.000 1.175 118 A HN 0.809 nan 8.150 nan 0.000 0.568 119 G N -0.531 108.355 108.800 0.144 0.000 2.871 119 G HA2 0.509 4.470 3.960 0.001 0.000 0.282 119 G HA3 0.509 4.470 3.960 0.001 0.000 0.282 119 G C -1.249 173.822 174.900 0.285 0.000 1.212 119 G CA -0.553 44.690 45.100 0.237 0.000 0.812 119 G HN 0.298 nan 8.290 nan 0.000 0.547 120 F N 2.625 122.585 119.950 0.018 0.000 2.404 120 F HA 0.523 5.051 4.527 0.001 0.000 0.339 120 F C -0.865 174.921 175.800 -0.024 0.000 1.105 120 F CA -2.210 55.719 58.000 -0.119 0.000 1.087 120 F CB 2.288 41.017 39.000 -0.453 0.000 1.143 120 F HN 0.194 nan 8.300 nan 0.000 0.491 121 P HA -0.252 nan 4.420 nan 0.000 0.216 121 P C 1.201 178.457 177.300 -0.073 0.000 1.157 121 P CA 2.643 65.605 63.100 -0.230 0.000 0.880 121 P CB -0.543 30.930 31.700 -0.380 0.000 0.791 122 T N -4.750 109.757 114.554 -0.079 0.000 3.227 122 T HA 0.021 4.372 4.350 0.001 0.000 0.257 122 T C 1.457 176.197 174.700 0.067 0.000 1.162 122 T CA 0.998 63.128 62.100 0.049 0.000 1.051 122 T CB -1.315 67.613 68.868 0.100 0.000 0.953 122 T HN 0.055 nan 8.240 nan 0.000 0.535 123 T N 0.840 115.451 114.554 0.095 0.000 3.014 123 T HA 0.131 4.482 4.350 0.001 0.000 0.263 123 T C 1.796 176.510 174.700 0.024 0.000 1.078 123 T CA 0.561 62.686 62.100 0.042 0.000 1.135 123 T CB 0.025 68.925 68.868 0.053 0.000 0.895 123 T HN 0.341 nan 8.240 nan 0.000 0.480 124 V N 1.394 121.352 119.914 0.073 0.000 3.212 124 V HA 0.060 4.180 4.120 0.001 0.000 0.244 124 V C 2.088 178.239 176.094 0.094 0.000 1.151 124 V CA 0.404 62.761 62.300 0.096 0.000 1.119 124 V CB -0.262 31.699 31.823 0.229 0.000 0.838 124 V HN 0.280 nan 8.190 nan 0.000 0.470 125 N N 1.468 120.231 118.700 0.104 0.000 2.091 125 N HA -0.145 4.595 4.740 0.001 0.000 0.193 125 N C -0.635 174.874 175.510 -0.002 0.000 1.021 125 N CA 2.111 55.200 53.050 0.063 0.000 0.862 125 N CB -1.699 36.793 38.487 0.009 0.000 1.018 125 N HN 0.397 nan 8.380 nan 0.000 0.429 126 P HA -0.076 nan 4.420 nan 0.000 0.218 126 P C 1.156 178.417 177.300 -0.065 0.000 1.148 126 P CA 1.392 64.447 63.100 -0.074 0.000 0.822 126 P CB -0.147 31.484 31.700 -0.114 0.000 0.784 127 T N 0.340 114.864 114.554 -0.050 0.000 2.746 127 T HA -0.069 4.282 4.350 0.001 0.000 0.267 127 T C 1.932 176.612 174.700 -0.033 0.000 1.039 127 T CA 1.130 63.200 62.100 -0.051 0.000 1.142 127 T CB -0.662 68.174 68.868 -0.054 0.000 0.866 127 T HN 0.091 nan 8.240 nan 0.000 0.444 128 I N 0.911 121.472 120.570 -0.014 0.000 2.286 128 I HA -0.145 4.025 4.170 0.001 0.000 0.245 128 I C 2.571 178.677 176.117 -0.019 0.000 1.104 128 I CA 1.200 62.490 61.300 -0.016 0.000 1.397 128 I CB -0.439 37.546 38.000 -0.025 0.000 1.072 128 I HN 0.254 nan 8.210 nan 0.000 0.417 129 Q N 0.538 120.326 119.800 -0.019 0.000 2.437 129 Q HA -0.143 4.197 4.340 0.001 0.000 0.210 129 Q C 0.923 176.918 176.000 -0.009 0.000 0.972 129 Q CA 1.046 56.842 55.803 -0.012 0.000 0.903 129 Q CB -0.220 28.509 28.738 -0.015 0.000 0.967 129 Q HN 0.522 nan 8.270 nan 0.000 0.486 130 N N -1.103 117.581 118.700 -0.026 0.000 2.214 130 N HA 0.144 4.884 4.740 0.001 0.000 0.214 130 N C 0.153 175.650 175.510 -0.022 0.000 1.132 130 N CA 0.400 53.432 53.050 -0.030 0.000 0.856 130 N CB 1.306 39.755 38.487 -0.064 0.000 1.020 130 N HN 0.264 nan 8.380 nan 0.000 0.509 131 G N 0.177 108.967 108.800 -0.016 0.000 2.148 131 G HA2 -0.265 3.696 3.960 0.001 0.000 0.254 131 G HA3 -0.265 3.696 3.960 0.001 0.000 0.254 131 G C -0.161 174.732 174.900 -0.013 0.000 0.981 131 G CA 0.105 45.198 45.100 -0.012 0.000 0.670 131 G HN 0.147 nan 8.290 nan 0.000 0.528 132 L N 0.368 121.579 121.223 -0.020 0.000 2.431 132 L HA 0.685 5.025 4.340 0.001 0.000 0.260 132 L C 0.764 177.625 176.870 -0.016 0.000 1.098 132 L CA -0.931 53.897 54.840 -0.021 0.000 0.800 132 L CB 0.901 42.940 42.059 -0.033 0.000 1.210 132 L HN 0.059 nan 8.230 nan 0.000 0.465 133 I N 2.065 122.624 120.570 -0.018 0.000 2.330 133 I HA 0.337 4.508 4.170 0.001 0.000 0.289 133 I C -2.328 173.764 176.117 -0.042 0.000 1.001 133 I CA -2.413 58.884 61.300 -0.005 0.000 1.193 133 I CB 0.986 38.985 38.000 -0.002 0.000 1.345 133 I HN 0.256 nan 8.210 nan 0.000 0.461 134 P HA 0.249 nan 4.420 nan 0.000 0.280 134 P C -0.591 176.518 177.300 -0.318 0.000 1.244 134 P CA -0.249 62.696 63.100 -0.258 0.000 0.784 134 P CB 1.085 32.614 31.700 -0.285 0.000 0.913 135 V N 4.813 124.470 119.914 -0.429 0.000 2.409 135 V HA 0.372 4.493 4.120 0.001 0.000 0.290 135 V C -0.364 175.527 176.094 -0.337 0.000 1.017 135 V CA -0.354 61.797 62.300 -0.248 0.000 0.841 135 V CB 0.219 31.967 31.823 -0.126 0.000 1.003 135 V HN 0.361 nan 8.190 nan 0.000 0.426 136 F N 4.237 124.203 119.950 0.027 0.000 2.399 136 F HA 0.808 5.336 4.527 0.001 0.000 0.328 136 F C 0.401 176.184 175.800 -0.028 0.000 1.084 136 F CA -0.763 57.222 58.000 -0.024 0.000 1.053 136 F CB 1.696 40.662 39.000 -0.056 0.000 1.209 136 F HN 0.390 nan 8.300 nan 0.000 0.502 137 V N -1.891 118.117 119.914 0.156 0.000 3.130 137 V HA 0.576 4.697 4.120 0.001 0.000 0.310 137 V C -1.020 175.106 176.094 0.054 0.000 1.158 137 V CA -0.990 61.351 62.300 0.068 0.000 1.029 137 V CB 1.806 33.635 31.823 0.009 0.000 1.057 137 V HN 0.606 nan 8.190 nan 0.000 0.436 138 D N 0.528 120.944 120.400 0.027 0.000 2.360 138 D HA 0.521 5.162 4.640 0.001 0.000 0.242 138 D C 0.184 176.491 176.300 0.012 0.000 1.184 138 D CA 0.363 54.372 54.000 0.015 0.000 0.930 138 D CB 1.751 42.555 40.800 0.007 0.000 1.161 138 D HN 0.949 nan 8.370 nan 0.000 0.447 139 V N -0.754 119.170 119.914 0.015 0.000 3.267 139 V HA 0.565 4.685 4.120 0.001 0.000 0.317 139 V C -0.079 176.016 176.094 0.001 0.000 1.131 139 V CA -0.774 61.538 62.300 0.020 0.000 1.031 139 V CB 1.684 33.538 31.823 0.052 0.000 1.159 139 V HN 0.573 nan 8.190 nan 0.000 0.454 140 D N -0.259 120.134 120.400 -0.011 0.000 2.342 140 D HA 0.522 5.162 4.640 0.001 0.000 0.243 140 D C -1.203 175.004 176.300 -0.154 0.000 1.019 140 D CA -0.512 53.457 54.000 -0.052 0.000 0.864 140 D CB 2.233 43.016 40.800 -0.029 0.000 1.315 140 D HN 0.617 nan 8.370 nan 0.000 0.468 141 I N 2.917 123.367 120.570 -0.200 0.000 2.530 141 I HA 0.259 4.429 4.170 0.001 0.000 0.297 141 I C -1.794 174.170 176.117 -0.256 0.000 1.011 141 I CA -2.063 59.000 61.300 -0.395 0.000 1.107 141 I CB 2.662 40.493 38.000 -0.281 0.000 1.285 141 I HN 0.255 nan 8.210 nan 0.000 0.436 142 P HA 0.097 nan 4.420 nan 0.000 0.243 142 P C 0.709 177.768 177.300 -0.401 0.000 1.672 142 P CA 0.026 62.816 63.100 -0.517 0.000 1.000 142 P CB -0.108 31.474 31.700 -0.196 0.000 1.562 143 T N -5.280 109.119 114.554 -0.258 0.000 3.037 143 T HA -0.020 4.330 4.350 0.001 0.000 0.252 143 T C 0.693 175.501 174.700 0.181 0.000 1.073 143 T CA -0.008 62.124 62.100 0.055 0.000 1.091 143 T CB -1.014 67.899 68.868 0.075 0.000 0.935 143 T HN 0.026 nan 8.240 nan 0.000 0.488 144 Y N 1.106 121.459 120.300 0.089 0.000 3.589 144 Y HA -0.204 4.347 4.550 0.001 0.000 0.218 144 Y C 0.197 176.148 175.900 0.085 0.000 1.234 144 Y CA 0.112 58.259 58.100 0.078 0.000 1.576 144 Y CB -2.856 35.650 38.460 0.077 0.000 1.487 144 Y HN 0.393 nan 8.280 nan 0.000 0.616 145 N N -1.793 117.003 118.700 0.161 0.000 2.405 145 N HA 0.594 5.335 4.740 0.001 0.000 0.285 145 N C -0.924 174.634 175.510 0.081 0.000 1.262 145 N CA -0.766 52.371 53.050 0.146 0.000 0.773 145 N CB 1.746 40.350 38.487 0.194 0.000 1.490 145 N HN 0.053 nan 8.380 nan 0.000 0.486 146 V N 1.143 121.079 119.914 0.037 0.000 2.790 146 V HA -0.126 3.994 4.120 0.001 0.000 0.304 146 V C 0.207 176.304 176.094 0.005 0.000 1.142 146 V CA 0.683 62.971 62.300 -0.020 0.000 1.282 146 V CB -0.053 31.689 31.823 -0.135 0.000 0.877 146 V HN 0.751 nan 8.190 nan 0.000 0.504 147 N N 5.198 123.897 118.700 -0.003 0.000 2.663 147 N HA 0.354 5.095 4.740 0.001 0.000 0.250 147 N C 1.194 176.701 175.510 -0.004 0.000 1.129 147 N CA 0.214 53.267 53.050 0.005 0.000 0.995 147 N CB 0.667 39.155 38.487 0.002 0.000 1.324 147 N HN 0.916 nan 8.380 nan 0.000 0.512 148 A N 2.427 125.250 122.820 0.005 0.000 1.915 148 A HA -0.319 4.001 4.320 0.001 0.000 0.220 148 A C 2.304 179.888 177.584 -0.001 0.000 1.198 148 A CA 2.426 54.462 52.037 -0.002 0.000 0.647 148 A CB -1.135 17.884 19.000 0.031 0.000 0.825 148 A HN 0.803 nan 8.150 nan 0.000 0.456 149 S N -0.016 115.691 115.700 0.011 0.000 2.423 149 S HA -0.152 4.319 4.470 0.001 0.000 0.238 149 S C 1.615 176.216 174.600 0.001 0.000 1.028 149 S CA 1.715 59.922 58.200 0.012 0.000 1.000 149 S CB -0.793 62.416 63.200 0.015 0.000 0.797 149 S HN 0.511 nan 8.310 nan 0.000 0.487 150 L N 0.272 121.491 121.223 -0.007 0.000 2.554 150 L HA 0.229 4.570 4.340 0.001 0.000 0.226 150 L C 2.248 179.100 176.870 -0.031 0.000 1.137 150 L CA 0.233 55.065 54.840 -0.013 0.000 0.863 150 L CB -0.553 41.501 42.059 -0.008 0.000 0.985 150 L HN 0.303 nan 8.230 nan 0.000 0.451 151 I N 0.448 120.992 120.570 -0.042 0.000 2.142 151 I HA -0.297 3.873 4.170 0.001 0.000 0.240 151 I C 2.600 178.661 176.117 -0.092 0.000 1.078 151 I CA 1.451 62.707 61.300 -0.072 0.000 1.343 151 I CB -0.133 37.819 38.000 -0.080 0.000 1.046 151 I HN 0.294 nan 8.210 nan 0.000 0.405 152 E N 1.382 121.543 120.200 -0.066 0.000 2.114 152 E HA -0.286 4.064 4.350 0.001 0.000 0.199 152 E C 2.065 178.600 176.600 -0.107 0.000 1.008 152 E CA 1.901 58.250 56.400 -0.084 0.000 0.810 152 E CB -0.107 29.600 29.700 0.012 0.000 0.739 152 E HN 0.486 nan 8.360 nan 0.000 0.456 153 A N 0.192 122.975 122.820 -0.061 0.000 2.067 153 A HA 0.084 4.405 4.320 0.001 0.000 0.219 153 A C 2.236 179.778 177.584 -0.069 0.000 1.158 153 A CA 1.375 53.382 52.037 -0.049 0.000 0.661 153 A CB -0.478 18.509 19.000 -0.023 0.000 0.801 153 A HN 0.396 nan 8.150 nan 0.000 0.452 154 A N -0.563 122.204 122.820 -0.089 0.000 2.169 154 A HA 0.372 4.693 4.320 0.001 0.000 0.212 154 A C 0.822 178.327 177.584 -0.131 0.000 1.153 154 A CA 0.245 52.229 52.037 -0.088 0.000 0.756 154 A CB -0.360 18.593 19.000 -0.078 0.000 0.813 154 A HN 0.238 nan 8.150 nan 0.000 0.471 155 V N 2.095 121.884 119.914 -0.208 0.000 2.521 155 V HA 0.360 4.481 4.120 0.001 0.000 0.286 155 V C 0.751 176.726 176.094 -0.199 0.000 1.034 155 V CA 0.426 62.548 62.300 -0.296 0.000 1.045 155 V CB 0.436 31.860 31.823 -0.663 0.000 0.974 155 V HN 0.604 nan 8.190 nan 0.000 0.480 156 S N 2.668 118.290 115.700 -0.130 0.000 2.841 156 S HA 0.386 4.856 4.470 0.001 0.000 0.318 156 S C 0.707 175.290 174.600 -0.029 0.000 1.127 156 S CA -0.124 58.040 58.200 -0.060 0.000 0.883 156 S CB 1.666 64.841 63.200 -0.042 0.000 1.271 156 S HN 0.738 nan 8.310 nan 0.000 0.567 157 D N -0.304 120.096 120.400 0.001 0.000 2.363 157 D HA 0.001 4.641 4.640 0.001 0.000 0.220 157 D C 0.913 177.222 176.300 0.015 0.000 0.994 157 D CA 0.503 54.515 54.000 0.021 0.000 0.890 157 D CB -0.139 40.676 40.800 0.024 0.000 0.906 157 D HN 0.554 nan 8.370 nan 0.000 0.530 158 K N -0.165 120.234 120.400 -0.001 0.000 2.361 158 K HA 0.085 4.405 4.320 0.001 0.000 0.194 158 K C 0.240 176.838 176.600 -0.003 0.000 1.032 158 K CA 0.029 56.317 56.287 0.001 0.000 1.048 158 K CB 0.589 33.086 32.500 -0.006 0.000 0.842 158 K HN -0.017 nan 8.250 nan 0.000 0.526 159 T N 2.015 116.558 114.554 -0.020 0.000 2.853 159 T HA 0.071 4.422 4.350 0.001 0.000 0.298 159 T C 0.881 175.587 174.700 0.010 0.000 0.978 159 T CA 0.313 62.394 62.100 -0.031 0.000 1.152 159 T CB 0.817 69.632 68.868 -0.088 0.000 0.914 159 T HN -0.018 nan 8.240 nan 0.000 0.539 160 K N 0.817 121.240 120.400 0.037 0.000 2.474 160 K HA 0.491 4.811 4.320 0.001 0.000 0.204 160 K C 0.430 177.130 176.600 0.167 0.000 1.220 160 K CA 0.089 56.441 56.287 0.109 0.000 0.966 160 K CB 1.154 33.743 32.500 0.148 0.000 1.049 160 K HN 0.663 nan 8.250 nan 0.000 0.554 161 A N 0.845 123.726 122.820 0.101 0.000 2.599 161 A HA 0.685 5.005 4.320 0.001 0.000 0.290 161 A C -1.617 175.976 177.584 0.014 0.000 1.101 161 A CA -0.661 51.447 52.037 0.119 0.000 0.674 161 A CB 1.129 20.241 19.000 0.186 0.000 1.277 161 A HN -0.025 nan 8.150 nan 0.000 0.419 162 I N 0.746 121.320 120.570 0.006 0.000 2.466 162 I HA 0.535 4.706 4.170 0.001 0.000 0.289 162 I C -0.590 175.478 176.117 -0.082 0.000 1.026 162 I CA -0.142 61.113 61.300 -0.075 0.000 1.078 162 I CB 1.362 39.300 38.000 -0.102 0.000 1.249 162 I HN 0.839 nan 8.210 nan 0.000 0.429 163 M N 9.092 128.617 119.600 -0.126 0.000 2.035 163 M HA 0.580 5.060 4.480 0.001 0.000 0.286 163 M C -1.524 174.678 176.300 -0.162 0.000 0.907 163 M CA -0.333 54.895 55.300 -0.120 0.000 0.935 163 M CB 1.258 33.801 32.600 -0.095 0.000 1.557 163 M HN 0.564 nan 8.290 nan 0.000 0.426 164 I N 0.749 121.187 120.570 -0.221 0.000 2.969 164 I HA 1.002 5.172 4.170 0.001 0.000 0.307 164 I C -1.046 174.980 176.117 -0.151 0.000 1.149 164 I CA -1.088 60.060 61.300 -0.253 0.000 1.008 164 I CB 2.113 39.811 38.000 -0.503 0.000 1.232 164 I HN 0.616 nan 8.210 nan 0.000 0.435 165 A N 1.898 124.676 122.820 -0.069 0.000 2.312 165 A HA 0.522 4.843 4.320 0.001 0.000 0.328 165 A C -0.760 176.871 177.584 0.079 0.000 1.158 165 A CA -0.564 51.472 52.037 -0.002 0.000 0.821 165 A CB 0.040 19.039 19.000 -0.001 0.000 1.170 165 A HN 0.873 nan 8.150 nan 0.000 0.490 166 H N 1.518 120.690 119.070 0.169 0.000 3.392 166 H HA 0.144 4.700 4.556 0.001 0.000 0.253 166 H C 0.137 175.483 175.328 0.031 0.000 1.682 166 H CA 0.306 56.401 56.048 0.079 0.000 1.535 166 H CB -0.507 29.211 29.762 -0.074 0.000 1.823 166 H HN 0.603 nan 8.280 nan 0.000 0.576 167 T N 4.198 118.850 114.554 0.164 0.000 2.800 167 T HA -0.084 4.267 4.350 0.001 0.000 0.283 167 T C 1.125 175.872 174.700 0.079 0.000 0.999 167 T CA 0.025 62.199 62.100 0.124 0.000 1.176 167 T CB 0.032 69.000 68.868 0.167 0.000 0.973 167 T HN 0.674 nan 8.240 nan 0.000 0.519 168 L N 2.197 123.419 121.223 -0.001 0.000 3.839 168 L HA -0.323 4.018 4.340 0.001 0.000 0.416 168 L C 1.640 178.584 176.870 0.123 0.000 1.195 168 L CA 0.642 55.484 54.840 0.002 0.000 0.946 168 L CB -2.236 39.815 42.059 -0.013 0.000 1.891 168 L HN 1.161 nan 8.230 nan 0.000 0.963 169 G N -1.590 107.234 108.800 0.039 0.000 2.268 169 G HA2 -0.340 3.621 3.960 0.001 0.000 0.240 169 G HA3 -0.340 3.621 3.960 0.001 0.000 0.240 169 G C 0.228 174.914 174.900 -0.357 0.000 1.010 169 G CA 0.395 45.462 45.100 -0.056 0.000 0.618 169 G HN 0.470 nan 8.290 nan 0.000 0.516 170 N N 0.808 119.273 118.700 -0.391 0.000 2.518 170 N HA 0.515 5.255 4.740 0.001 0.000 0.266 170 N C 0.417 175.834 175.510 -0.156 0.000 1.196 170 N CA -0.155 52.612 53.050 -0.471 0.000 0.947 170 N CB 0.438 38.787 38.487 -0.230 0.000 1.098 170 N HN 0.338 nan 8.380 nan 0.000 0.450 171 L N 3.128 124.245 121.223 -0.178 0.000 2.421 171 L HA 0.435 4.775 4.340 0.001 0.000 0.263 171 L C 0.428 177.332 176.870 0.057 0.000 1.122 171 L CA -0.704 54.097 54.840 -0.065 0.000 0.804 171 L CB 0.179 42.053 42.059 -0.308 0.000 1.150 171 L HN 0.457 nan 8.230 nan 0.000 0.457 172 F N -1.918 118.106 119.950 0.123 0.000 2.364 172 F HA 0.337 4.865 4.527 0.001 0.000 0.316 172 F C 0.624 176.341 175.800 -0.139 0.000 1.133 172 F CA -1.363 56.612 58.000 -0.041 0.000 1.051 172 F CB 0.058 38.988 39.000 -0.117 0.000 1.342 172 F HN 0.419 nan 8.300 nan 0.000 0.507 173 D N 1.532 122.074 120.400 0.236 0.000 2.482 173 D HA 0.031 4.672 4.640 0.001 0.000 0.244 173 D C 1.193 177.476 176.300 -0.028 0.000 1.242 173 D CA 0.405 54.464 54.000 0.098 0.000 1.097 173 D CB -0.047 40.832 40.800 0.132 0.000 1.109 173 D HN 0.657 nan 8.370 nan 0.000 0.510 174 L N 2.395 123.216 121.223 -0.670 0.000 2.079 174 L HA -0.220 4.121 4.340 0.001 0.000 0.210 174 L C 2.546 179.289 176.870 -0.212 0.000 1.081 174 L CA 1.267 55.712 54.840 -0.659 0.000 0.752 174 L CB -0.235 40.891 42.059 -1.555 0.000 0.896 174 L HN 0.360 nan 8.230 nan 0.000 0.433 175 A N -0.018 122.769 122.820 -0.055 0.000 1.892 175 A HA -0.300 4.021 4.320 0.001 0.000 0.218 175 A C 2.195 179.840 177.584 0.102 0.000 1.188 175 A CA 2.248 54.374 52.037 0.150 0.000 0.631 175 A CB -0.523 18.630 19.000 0.255 0.000 0.822 175 A HN 0.426 nan 8.150 nan 0.000 0.447 176 E N -0.326 119.928 120.200 0.090 0.000 2.107 176 E HA -0.064 4.286 4.350 0.001 0.000 0.191 176 E C 1.808 178.446 176.600 0.064 0.000 0.982 176 E CA 1.337 57.782 56.400 0.075 0.000 0.809 176 E CB -0.397 29.344 29.700 0.068 0.000 0.756 176 E HN 0.229 nan 8.360 nan 0.000 0.459 177 V N 1.430 121.385 119.914 0.068 0.000 2.295 177 V HA -0.241 3.880 4.120 0.001 0.000 0.246 177 V C 2.472 178.610 176.094 0.074 0.000 1.049 177 V CA 2.055 64.388 62.300 0.056 0.000 1.024 177 V CB -0.544 31.349 31.823 0.117 0.000 0.648 177 V HN 0.249 nan 8.190 nan 0.000 0.447 178 R N -0.184 120.373 120.500 0.095 0.000 2.096 178 R HA -0.126 4.215 4.340 0.001 0.000 0.235 178 R C 2.359 178.712 176.300 0.088 0.000 1.127 178 R CA 1.243 57.406 56.100 0.106 0.000 0.968 178 R CB -0.720 29.661 30.300 0.136 0.000 0.861 178 R HN 0.460 nan 8.270 nan 0.000 0.440 179 R N 0.717 121.267 120.500 0.084 0.000 2.073 179 R HA -0.091 4.249 4.340 0.001 0.000 0.234 179 R C 2.126 178.480 176.300 0.090 0.000 1.134 179 R CA 1.550 57.695 56.100 0.076 0.000 0.952 179 R CB -0.102 30.242 30.300 0.073 0.000 0.850 179 R HN 0.029 nan 8.270 nan 0.000 0.433 180 V N 0.888 120.862 119.914 0.100 0.000 2.515 180 V HA -0.165 3.956 4.120 0.001 0.000 0.250 180 V C 2.456 178.651 176.094 0.169 0.000 1.058 180 V CA 1.635 64.026 62.300 0.151 0.000 1.064 180 V CB -0.648 31.218 31.823 0.072 0.000 0.675 180 V HN 0.450 nan 8.190 nan 0.000 0.461 181 A N 0.613 123.490 122.820 0.095 0.000 1.832 181 A HA -0.228 4.093 4.320 0.001 0.000 0.214 181 A C 2.022 179.646 177.584 0.067 0.000 1.200 181 A CA 1.946 54.028 52.037 0.074 0.000 0.610 181 A CB -0.792 18.245 19.000 0.061 0.000 0.842 181 A HN 0.510 nan 8.150 nan 0.000 0.444 182 D N -0.269 120.160 120.400 0.048 0.000 2.133 182 D HA -0.199 4.442 4.640 0.001 0.000 0.195 182 D C 1.815 178.110 176.300 -0.008 0.000 0.997 182 D CA 1.697 55.704 54.000 0.011 0.000 0.840 182 D CB -0.349 40.462 40.800 0.017 0.000 0.947 182 D HN 0.632 nan 8.370 nan 0.000 0.452 183 K N -0.053 120.353 120.400 0.010 0.000 2.009 183 K HA -0.181 4.140 4.320 0.001 0.000 0.210 183 K C 1.467 177.937 176.600 -0.216 0.000 1.049 183 K CA 1.213 57.437 56.287 -0.105 0.000 0.929 183 K CB -0.164 32.279 32.500 -0.097 0.000 0.714 183 K HN 0.169 nan 8.250 nan 0.000 0.440 184 Y N 1.049 121.328 120.300 -0.035 0.000 2.461 184 Y HA 0.187 4.738 4.550 0.001 0.000 0.277 184 Y C -0.120 175.740 175.900 -0.067 0.000 1.182 184 Y CA -0.162 57.913 58.100 -0.042 0.000 1.276 184 Y CB 0.156 38.597 38.460 -0.033 0.000 1.087 184 Y HN 0.172 nan 8.280 nan 0.000 0.519 185 N N 0.738 119.446 118.700 0.013 0.000 2.738 185 N HA -0.193 4.547 4.740 0.001 0.000 0.249 185 N C -1.084 174.344 175.510 -0.137 0.000 1.047 185 N CA 0.596 53.593 53.050 -0.088 0.000 0.707 185 N CB -1.576 36.850 38.487 -0.102 0.000 0.937 185 N HN 0.354 nan 8.380 nan 0.000 0.545 186 L N -0.203 120.979 121.223 -0.069 0.000 2.312 186 L HA 0.393 4.733 4.340 0.001 0.000 0.281 186 L C 0.988 177.798 176.870 -0.100 0.000 1.070 186 L CA -0.913 53.889 54.840 -0.063 0.000 0.805 186 L CB 0.396 42.468 42.059 0.022 0.000 1.174 186 L HN 0.056 nan 8.230 nan 0.000 0.434 187 W N 3.465 124.774 121.300 0.016 0.000 2.345 187 W HA 0.192 4.853 4.660 0.001 0.000 0.346 187 W C -0.103 176.417 176.519 0.001 0.000 1.243 187 W CA -0.003 57.347 57.345 0.009 0.000 1.327 187 W CB 0.138 29.594 29.460 -0.006 0.000 1.187 187 W HN 0.225 nan 8.180 nan 0.000 0.588 188 L N 4.658 126.055 121.223 0.289 0.000 2.438 188 L HA 0.582 4.923 4.340 0.001 0.000 0.270 188 L C -1.172 175.784 176.870 0.142 0.000 0.972 188 L CA -0.813 54.126 54.840 0.165 0.000 0.831 188 L CB 1.077 43.224 42.059 0.147 0.000 1.273 188 L HN 0.330 nan 8.230 nan 0.000 0.405 189 I N 4.043 124.652 120.570 0.067 0.000 2.406 189 I HA 0.369 4.539 4.170 0.001 0.000 0.290 189 I C -0.376 175.753 176.117 0.020 0.000 0.999 189 I CA -0.532 60.779 61.300 0.019 0.000 1.124 189 I CB 1.901 39.873 38.000 -0.047 0.000 1.289 189 I HN 0.596 nan 8.210 nan 0.000 0.441 190 E N 4.809 125.034 120.200 0.042 0.000 2.046 190 E HA 0.087 4.438 4.350 0.001 0.000 0.279 190 E C -0.907 175.703 176.600 0.017 0.000 0.989 190 E CA -0.513 55.933 56.400 0.076 0.000 0.798 190 E CB 1.000 30.812 29.700 0.186 0.000 1.086 190 E HN 0.360 nan 8.360 nan 0.000 0.399 191 D N 3.245 123.640 120.400 -0.008 0.000 2.374 191 D HA 0.033 4.673 4.640 0.001 0.000 0.240 191 D C -0.365 175.965 176.300 0.049 0.000 1.229 191 D CA -0.458 53.526 54.000 -0.028 0.000 0.895 191 D CB 0.314 41.081 40.800 -0.054 0.000 1.046 191 D HN 0.360 nan 8.370 nan 0.000 0.498 192 C N 3.725 123.088 119.300 0.104 0.000 2.563 192 C HA 0.160 4.620 4.460 0.001 0.000 0.307 192 C C 2.328 177.388 174.990 0.117 0.000 1.371 192 C CA -0.677 58.459 59.018 0.198 0.000 1.772 192 C CB -1.610 26.326 27.740 0.326 0.000 2.283 192 C HN 0.733 nan 8.230 nan 0.000 0.570 193 C N 1.336 120.633 119.300 -0.005 0.000 2.410 193 C HA -0.121 4.340 4.460 0.001 0.000 0.281 193 C C 1.592 176.549 174.990 -0.056 0.000 1.318 193 C CA 1.465 60.437 59.018 -0.076 0.000 1.776 193 C CB -0.793 26.812 27.740 -0.226 0.000 1.942 193 C HN 0.644 nan 8.230 nan 0.000 0.508 194 D N -0.671 119.665 120.400 -0.106 0.000 2.501 194 D HA 0.271 4.912 4.640 0.001 0.000 0.224 194 D C 0.685 177.116 176.300 0.219 0.000 1.202 194 D CA 0.288 54.190 54.000 -0.163 0.000 0.829 194 D CB 0.312 40.624 40.800 -0.814 0.000 1.023 194 D HN 0.431 nan 8.370 nan 0.000 0.499 195 A N 0.913 123.861 122.820 0.213 0.000 2.795 195 A HA 0.246 4.567 4.320 0.001 0.000 0.282 195 A C -0.048 177.527 177.584 -0.016 0.000 0.964 195 A CA -0.458 51.651 52.037 0.120 0.000 1.045 195 A CB 0.060 19.086 19.000 0.043 0.000 1.174 195 A HN 0.108 nan 8.150 nan 0.000 0.493 196 L N 0.969 122.119 121.223 -0.123 0.000 2.456 196 L HA 0.558 4.899 4.340 0.001 0.000 0.277 196 L C 1.127 177.828 176.870 -0.283 0.000 1.124 196 L CA 1.867 56.620 54.840 -0.144 0.000 0.880 196 L CB 0.239 42.294 42.059 -0.007 0.000 1.192 196 L HN 0.909 nan 8.230 nan 0.000 0.463 197 G N 2.246 111.036 108.800 -0.018 0.000 2.218 197 G HA2 -0.233 3.728 3.960 0.001 0.000 0.216 197 G HA3 -0.233 3.728 3.960 0.001 0.000 0.216 197 G C 0.481 175.326 174.900 -0.091 0.000 0.994 197 G CA 0.070 45.186 45.100 0.026 0.000 0.637 197 G HN 0.728 nan 8.290 nan 0.000 0.505 198 S N 1.383 116.990 115.700 -0.154 0.000 2.562 198 S HA 0.549 5.019 4.470 0.001 0.000 0.281 198 S C 0.621 175.110 174.600 -0.184 0.000 1.333 198 S CA 0.831 58.901 58.200 -0.217 0.000 1.052 198 S CB 1.224 64.231 63.200 -0.322 0.000 0.884 198 S HN 1.317 nan 8.310 nan 0.000 0.506 199 T N 0.754 115.215 114.554 -0.155 0.000 2.907 199 T HA 0.651 5.002 4.350 0.001 0.000 0.292 199 T C -1.301 173.385 174.700 -0.024 0.000 1.043 199 T CA -0.727 61.338 62.100 -0.059 0.000 1.003 199 T CB 1.317 70.153 68.868 -0.053 0.000 1.084 199 T HN 0.538 nan 8.240 nan 0.000 0.483 200 Y N 1.296 121.563 120.300 -0.056 0.000 2.332 200 Y HA 0.435 4.986 4.550 0.001 0.000 0.325 200 Y C -0.044 175.912 175.900 0.092 0.000 1.054 200 Y CA -0.448 57.591 58.100 -0.101 0.000 1.119 200 Y CB 1.452 39.677 38.460 -0.391 0.000 1.168 200 Y HN 1.057 nan 8.280 nan 0.000 0.439 201 D N 4.441 124.659 120.400 -0.305 0.000 2.870 201 D HA -0.172 4.469 4.640 0.001 0.000 0.228 201 D C 1.110 177.413 176.300 0.005 0.000 1.147 201 D CA 2.395 56.305 54.000 -0.149 0.000 0.757 201 D CB -1.103 39.694 40.800 -0.006 0.000 1.091 201 D HN 1.493 nan 8.370 nan 0.000 0.429 202 G N -0.500 108.292 108.800 -0.013 0.000 2.212 202 G HA2 -0.393 3.567 3.960 0.001 0.000 0.266 202 G HA3 -0.393 3.567 3.960 0.001 0.000 0.266 202 G C 0.370 175.273 174.900 0.005 0.000 0.978 202 G CA 0.707 45.799 45.100 -0.013 0.000 0.632 202 G HN 0.688 nan 8.290 nan 0.000 0.537 203 K N 0.279 120.740 120.400 0.102 0.000 2.213 203 K HA 0.639 4.959 4.320 0.001 0.000 0.270 203 K C 0.732 177.428 176.600 0.160 0.000 1.002 203 K CA -1.094 55.210 56.287 0.028 0.000 0.868 203 K CB 0.647 33.005 32.500 -0.235 0.000 1.093 203 K HN 0.101 nan 8.250 nan 0.000 0.454 204 M N 3.701 123.298 119.600 -0.006 0.000 2.255 204 M HA -0.027 4.453 4.480 0.001 0.000 0.356 204 M C -0.546 175.856 176.300 0.169 0.000 1.338 204 M CA 0.634 55.928 55.300 -0.011 0.000 0.962 204 M CB 0.356 32.866 32.600 -0.150 0.000 1.877 204 M HN 0.657 nan 8.290 nan 0.000 0.463 205 A N 4.258 127.122 122.820 0.074 0.000 2.488 205 A HA 0.498 4.819 4.320 0.001 0.000 0.249 205 A C 1.228 178.959 177.584 0.245 0.000 1.083 205 A CA 0.321 52.389 52.037 0.052 0.000 0.768 205 A CB -0.763 18.007 19.000 -0.384 0.000 1.017 205 A HN 1.783 nan 8.150 nan 0.000 0.496 206 G N 1.100 110.157 108.800 0.429 0.000 2.278 206 G HA2 -0.218 3.742 3.960 0.001 0.000 0.210 206 G HA3 -0.218 3.742 3.960 0.001 0.000 0.210 206 G C 0.922 176.129 174.900 0.512 0.000 1.000 206 G CA 0.893 46.330 45.100 0.562 0.000 0.635 206 G HN 1.921 nan 8.290 nan 0.000 0.495 207 T N -1.591 113.174 114.554 0.353 0.000 3.163 207 T HA 0.540 4.891 4.350 0.001 0.000 0.252 207 T C 1.539 176.265 174.700 0.043 0.000 1.056 207 T CA 0.752 62.941 62.100 0.150 0.000 0.947 207 T CB -0.305 68.536 68.868 -0.045 0.000 1.016 207 T HN 0.168 nan 8.240 nan 0.000 0.554 208 F N 1.837 121.846 119.950 0.098 0.000 2.437 208 F HA 0.470 4.998 4.527 0.001 0.000 0.288 208 F C 1.987 177.844 175.800 0.095 0.000 1.085 208 F CA -0.320 57.724 58.000 0.074 0.000 1.430 208 F CB -0.566 38.455 39.000 0.034 0.000 1.120 208 F HN 0.357 nan 8.300 nan 0.000 0.556 209 G N -0.550 108.441 108.800 0.320 0.000 2.531 209 G HA2 0.111 4.071 3.960 0.001 0.000 0.281 209 G HA3 0.111 4.071 3.960 0.001 0.000 0.281 209 G C 0.374 175.397 174.900 0.206 0.000 1.382 209 G CA -0.190 45.051 45.100 0.235 0.000 1.045 209 G HN 0.037 nan 8.290 nan 0.000 0.533 210 D N -0.914 119.615 120.400 0.215 0.000 2.137 210 D HA 0.034 4.675 4.640 0.001 0.000 0.202 210 D C 0.739 177.136 176.300 0.161 0.000 0.970 210 D CA 1.137 55.279 54.000 0.238 0.000 0.837 210 D CB 0.521 41.565 40.800 0.407 0.000 0.981 210 D HN 0.140 nan 8.370 nan 0.000 0.475 211 I N -0.175 120.448 120.570 0.089 0.000 2.730 211 I HA 0.454 4.625 4.170 0.001 0.000 0.298 211 I C -0.019 176.022 176.117 -0.127 0.000 1.089 211 I CA -0.946 60.337 61.300 -0.029 0.000 1.041 211 I CB 2.667 40.610 38.000 -0.095 0.000 1.235 211 I HN -0.199 nan 8.210 nan 0.000 0.423 212 G N 1.731 110.274 108.800 -0.428 0.000 2.524 212 G HA2 0.739 4.700 3.960 0.001 0.000 0.310 212 G HA3 0.739 4.700 3.960 0.001 0.000 0.310 212 G C -0.924 173.252 174.900 -1.207 0.000 1.279 212 G CA -0.468 44.182 45.100 -0.749 0.000 0.974 212 G HN 0.613 nan 8.290 nan 0.000 0.484 213 T N -2.192 111.980 114.554 -0.637 0.000 2.916 213 T HA 0.800 5.150 4.350 0.001 0.000 0.292 213 T C -1.003 173.640 174.700 -0.095 0.000 1.055 213 T CA -1.055 60.810 62.100 -0.391 0.000 1.009 213 T CB 2.011 70.734 68.868 -0.241 0.000 1.118 213 T HN 1.284 nan 8.240 nan 0.000 0.497 214 V N 0.243 120.121 119.914 -0.060 0.000 3.120 214 V HA 0.801 4.921 4.120 0.001 0.000 0.303 214 V C -1.096 174.788 176.094 -0.350 0.000 1.238 214 V CA -0.418 61.861 62.300 -0.033 0.000 1.008 214 V CB 2.359 34.322 31.823 0.233 0.000 1.064 214 V HN 1.342 nan 8.190 nan 0.000 0.434 215 S N 3.693 119.204 115.700 -0.316 0.000 2.532 215 S HA 0.724 5.195 4.470 0.001 0.000 0.301 215 S C -0.616 173.844 174.600 -0.235 0.000 1.083 215 S CA -0.456 57.521 58.200 -0.372 0.000 1.025 215 S CB 1.416 64.510 63.200 -0.176 0.000 1.056 215 S HN 0.607 nan 8.310 nan 0.000 0.494 216 F N 2.426 122.455 119.950 0.132 0.000 2.805 216 F HA 0.292 4.819 4.527 0.001 0.000 0.317 216 F C 0.003 175.877 175.800 0.124 0.000 1.146 216 F CA -0.919 57.158 58.000 0.129 0.000 1.265 216 F CB 0.275 39.319 39.000 0.073 0.000 0.992 216 F HN 0.569 nan 8.300 nan 0.000 0.511 217 Y N 3.414 123.795 120.300 0.135 0.000 2.511 217 Y HA 0.116 4.667 4.550 0.001 0.000 0.347 217 Y C -1.643 174.316 175.900 0.098 0.000 1.257 217 Y CA -2.245 55.902 58.100 0.079 0.000 1.469 217 Y CB 0.701 39.174 38.460 0.022 0.000 1.353 217 Y HN -0.092 nan 8.280 nan 0.000 0.617 218 P HA -0.176 nan 4.420 nan 0.000 0.220 218 P C 0.480 177.659 177.300 -0.202 0.000 1.144 218 P CA 2.474 65.376 63.100 -0.331 0.000 0.800 218 P CB 0.051 31.484 31.700 -0.445 0.000 0.772 219 A N -1.760 121.004 122.820 -0.094 0.000 2.169 219 A HA -0.021 4.299 4.320 0.001 0.000 0.212 219 A C 1.194 178.805 177.584 0.045 0.000 1.153 219 A CA 0.762 52.814 52.037 0.024 0.000 0.756 219 A CB -0.394 18.798 19.000 0.321 0.000 0.813 219 A HN 0.075 nan 8.150 nan 0.000 0.471 220 K N -0.720 119.808 120.400 0.214 0.000 2.488 220 K HA 0.237 4.558 4.320 0.001 0.000 0.255 220 K C 0.670 177.346 176.600 0.126 0.000 1.036 220 K CA -0.661 55.823 56.287 0.328 0.000 0.990 220 K CB -0.208 32.540 32.500 0.413 0.000 1.304 220 K HN 0.273 nan 8.250 nan 0.000 0.505 221 H N 0.217 119.460 119.070 0.289 0.000 2.319 221 H HA -0.110 4.447 4.556 0.001 0.000 0.297 221 H C 0.974 176.452 175.328 0.250 0.000 1.097 221 H CA 1.571 57.760 56.048 0.234 0.000 1.285 221 H CB 0.063 29.990 29.762 0.274 0.000 1.368 221 H HN 0.432 nan 8.280 nan 0.000 0.495 222 I N -2.518 118.291 120.570 0.399 0.000 3.095 222 I HA 0.488 4.658 4.170 0.001 0.000 0.310 222 I C -0.380 175.884 176.117 0.245 0.000 1.196 222 I CA -0.601 60.879 61.300 0.300 0.000 0.985 222 I CB 2.721 40.843 38.000 0.203 0.000 1.250 222 I HN -0.133 nan 8.210 nan 0.000 0.446 223 T N 2.779 117.412 114.554 0.131 0.000 2.887 223 T HA 0.687 5.038 4.350 0.001 0.000 0.292 223 T C -0.110 174.594 174.700 0.007 0.000 1.087 223 T CA -0.561 61.604 62.100 0.109 0.000 1.009 223 T CB 1.790 70.687 68.868 0.049 0.000 1.203 223 T HN 0.759 nan 8.240 nan 0.000 0.518 224 M N 1.538 121.160 119.600 0.037 0.000 2.314 224 M HA 0.289 4.770 4.480 0.001 0.000 0.383 224 M C 1.331 177.629 176.300 -0.004 0.000 0.984 224 M CA 0.217 55.499 55.300 -0.031 0.000 0.982 224 M CB 0.953 33.532 32.600 -0.035 0.000 1.745 224 M HN 0.971 nan 8.290 nan 0.000 0.600 225 G N 1.458 110.260 108.800 0.002 0.000 4.365 225 G HA2 -0.172 3.789 3.960 0.001 0.000 0.214 225 G HA3 -0.172 3.789 3.960 0.001 0.000 0.214 225 G C -0.038 174.883 174.900 0.036 0.000 1.450 225 G CA -0.205 44.881 45.100 -0.022 0.000 0.937 225 G HN 0.390 nan 8.290 nan 0.000 0.625 226 E N 1.324 121.572 120.200 0.079 0.000 2.263 226 E HA 0.630 4.981 4.350 0.001 0.000 0.268 226 E C 0.122 176.789 176.600 0.111 0.000 0.884 226 E CA 0.359 56.838 56.400 0.132 0.000 0.766 226 E CB 1.333 31.092 29.700 0.098 0.000 1.196 226 E HN 1.586 nan 8.360 nan 0.000 0.416 227 G N 0.381 109.261 108.800 0.133 0.000 2.338 227 G HA2 0.584 4.544 3.960 0.001 0.000 0.295 227 G HA3 0.584 4.544 3.960 0.001 0.000 0.295 227 G C -0.892 174.012 174.900 0.007 0.000 1.461 227 G CA -0.005 45.178 45.100 0.139 0.000 0.817 227 G HN 0.648 nan 8.290 nan 0.000 0.556 228 G N -1.630 107.115 108.800 -0.092 0.000 2.550 228 G HA2 1.010 4.970 3.960 0.001 0.000 0.293 228 G HA3 1.010 4.970 3.960 0.001 0.000 0.293 228 G C -1.166 173.609 174.900 -0.208 0.000 1.402 228 G CA 0.404 45.230 45.100 -0.456 0.000 0.784 228 G HN 2.186 nan 8.290 nan 0.000 0.482 229 A N -1.047 121.662 122.820 -0.185 0.000 2.574 229 A HA 0.774 5.095 4.320 0.001 0.000 0.297 229 A C -1.433 176.186 177.584 0.058 0.000 1.062 229 A CA -0.486 51.623 52.037 0.120 0.000 0.686 229 A CB 1.826 21.100 19.000 0.457 0.000 1.285 229 A HN 1.564 nan 8.150 nan 0.000 0.403 230 V N 2.090 122.045 119.914 0.069 0.000 2.495 230 V HA 0.769 4.890 4.120 0.001 0.000 0.298 230 V C -0.862 175.278 176.094 0.076 0.000 1.031 230 V CA -0.350 61.898 62.300 -0.087 0.000 0.871 230 V CB 0.839 32.617 31.823 -0.075 0.000 0.988 230 V HN 0.914 nan 8.190 nan 0.000 0.432 231 F N 1.631 121.639 119.950 0.097 0.000 2.599 231 F HA 0.944 5.472 4.527 0.001 0.000 0.311 231 F C -0.332 175.545 175.800 0.128 0.000 1.076 231 F CA -0.737 57.339 58.000 0.127 0.000 0.937 231 F CB 2.064 41.139 39.000 0.124 0.000 1.282 231 F HN 0.496 nan 8.300 nan 0.000 0.460 232 T N -0.242 114.546 114.554 0.391 0.000 2.711 232 T HA 0.337 4.687 4.350 0.001 0.000 0.302 232 T C -0.719 174.187 174.700 0.343 0.000 1.373 232 T CA -0.381 61.903 62.100 0.308 0.000 1.000 232 T CB 2.079 71.076 68.868 0.216 0.000 1.483 232 T HN 0.844 nan 8.240 nan 0.000 0.499 233 Q N 0.277 120.250 119.800 0.290 0.000 2.214 233 Q HA 0.283 4.623 4.340 0.001 0.000 0.229 233 Q C 0.108 176.320 176.000 0.352 0.000 0.835 233 Q CA -0.178 55.771 55.803 0.242 0.000 0.953 233 Q CB 1.136 29.950 28.738 0.128 0.000 1.131 233 Q HN 0.451 nan 8.270 nan 0.000 0.501 234 S N 0.052 115.951 115.700 0.331 0.000 2.422 234 S HA 0.476 4.947 4.470 0.001 0.000 0.298 234 S C 0.905 175.579 174.600 0.124 0.000 1.118 234 S CA -0.086 58.262 58.200 0.246 0.000 1.083 234 S CB 1.350 64.662 63.200 0.187 0.000 0.971 234 S HN 0.313 nan 8.310 nan 0.000 0.478 235 A N 4.260 127.114 122.820 0.057 0.000 1.933 235 A HA -0.082 4.238 4.320 0.001 0.000 0.218 235 A C 1.981 179.453 177.584 -0.187 0.000 1.175 235 A CA 1.747 53.582 52.037 -0.337 0.000 0.628 235 A CB -0.859 18.074 19.000 -0.112 0.000 0.814 235 A HN 0.970 nan 8.150 nan 0.000 0.444 236 E N -0.013 120.170 120.200 -0.029 0.000 2.058 236 E HA -0.200 4.151 4.350 0.001 0.000 0.194 236 E C 1.923 178.521 176.600 -0.003 0.000 0.997 236 E CA 1.392 57.798 56.400 0.010 0.000 0.801 236 E CB -0.232 29.511 29.700 0.071 0.000 0.746 236 E HN 0.639 nan 8.360 nan 0.000 0.450 237 L N 0.791 122.017 121.223 0.006 0.000 2.056 237 L HA -0.147 4.194 4.340 0.001 0.000 0.207 237 L C 2.885 179.731 176.870 -0.039 0.000 1.078 237 L CA 1.009 55.841 54.840 -0.014 0.000 0.749 237 L CB -0.621 41.444 42.059 0.011 0.000 0.901 237 L HN 0.129 nan 8.230 nan 0.000 0.433 238 K N 0.339 120.681 120.400 -0.096 0.000 2.152 238 K HA -0.154 4.167 4.320 0.001 0.000 0.206 238 K C 1.997 178.543 176.600 -0.091 0.000 1.048 238 K CA 1.636 57.845 56.287 -0.130 0.000 0.933 238 K CB -0.004 32.242 32.500 -0.422 0.000 0.721 238 K HN 0.163 nan 8.250 nan 0.000 0.447 239 S N 0.633 116.278 115.700 -0.092 0.000 2.414 239 S HA 0.092 4.563 4.470 0.001 0.000 0.227 239 S C 1.950 176.564 174.600 0.023 0.000 1.022 239 S CA 0.463 58.646 58.200 -0.028 0.000 0.958 239 S CB 0.017 63.205 63.200 -0.021 0.000 0.797 239 S HN 0.264 nan 8.310 nan 0.000 0.493 240 I N 1.460 122.041 120.570 0.019 0.000 2.233 240 I HA -0.133 4.037 4.170 0.001 0.000 0.243 240 I C 1.933 178.087 176.117 0.062 0.000 1.093 240 I CA 0.808 62.111 61.300 0.005 0.000 1.380 240 I CB -0.344 37.651 38.000 -0.008 0.000 1.067 240 I HN 0.244 nan 8.210 nan 0.000 0.413 241 I N 0.950 121.557 120.570 0.062 0.000 2.118 241 I HA -0.337 3.833 4.170 0.001 0.000 0.241 241 I C 2.547 178.727 176.117 0.105 0.000 1.070 241 I CA 1.834 63.183 61.300 0.082 0.000 1.327 241 I CB -1.328 36.683 38.000 0.018 0.000 1.034 241 I HN 0.388 nan 8.210 nan 0.000 0.405 242 E N 0.740 120.979 120.200 0.065 0.000 2.070 242 E HA -0.274 4.076 4.350 0.001 0.000 0.197 242 E C 2.401 179.047 176.600 0.075 0.000 1.004 242 E CA 2.092 58.530 56.400 0.063 0.000 0.805 242 E CB -0.019 29.712 29.700 0.052 0.000 0.744 242 E HN 0.356 nan 8.360 nan 0.000 0.451 243 S N -0.921 114.822 115.700 0.072 0.000 2.368 243 S HA -0.157 4.314 4.470 0.001 0.000 0.225 243 S C 1.702 176.330 174.600 0.047 0.000 1.030 243 S CA 1.174 59.416 58.200 0.071 0.000 0.999 243 S CB -0.423 62.860 63.200 0.138 0.000 0.844 243 S HN 0.354 nan 8.310 nan 0.000 0.459 244 F N 1.814 121.794 119.950 0.051 0.000 2.171 244 F HA 0.127 4.655 4.527 0.001 0.000 0.300 244 F C 2.635 178.487 175.800 0.088 0.000 1.090 244 F CA 1.335 59.375 58.000 0.066 0.000 1.293 244 F CB -0.397 38.605 39.000 0.004 0.000 1.013 244 F HN 0.187 nan 8.300 nan 0.000 0.486 245 R N 0.261 120.878 120.500 0.195 0.000 2.090 245 R HA -0.092 4.249 4.340 0.001 0.000 0.228 245 R C -0.090 176.142 176.300 -0.115 0.000 1.110 245 R CA 1.362 57.488 56.100 0.042 0.000 0.973 245 R CB -0.208 30.092 30.300 -0.000 0.000 0.869 245 R HN 0.079 nan 8.270 nan 0.000 0.440 246 D N 0.016 120.371 120.400 -0.076 0.000 2.943 246 D HA 0.026 4.667 4.640 0.001 0.000 0.249 246 D C -0.121 176.271 176.300 0.153 0.000 1.231 246 D CA -0.073 53.813 54.000 -0.190 0.000 0.979 246 D CB -0.301 40.518 40.800 0.031 0.000 1.053 246 D HN 0.268 nan 8.370 nan 0.000 0.504 247 W N 0.568 121.952 121.300 0.140 0.000 2.902 247 W HA -0.285 4.376 4.660 0.001 0.000 0.278 247 W C 1.331 177.916 176.519 0.110 0.000 1.066 247 W CA 0.620 58.027 57.345 0.102 0.000 0.570 247 W CB -2.094 27.461 29.460 0.159 0.000 2.092 247 W HN 0.553 nan 8.180 nan 0.000 1.423 248 G N 0.616 109.576 108.800 0.266 0.000 2.148 248 G HA2 -0.365 3.596 3.960 0.001 0.000 0.254 248 G HA3 -0.365 3.596 3.960 0.001 0.000 0.254 248 G C 0.521 175.577 174.900 0.260 0.000 0.981 248 G CA 0.620 45.810 45.100 0.150 0.000 0.670 248 G HN 0.580 nan 8.290 nan 0.000 0.528 249 R N 0.440 121.163 120.500 0.372 0.000 2.643 249 R HA 0.424 4.765 4.340 0.001 0.000 0.270 249 R C 0.003 176.265 176.300 -0.063 0.000 1.061 249 R CA -0.154 56.020 56.100 0.124 0.000 1.107 249 R CB 0.768 31.115 30.300 0.078 0.000 0.999 249 R HN 0.176 nan 8.270 nan 0.000 0.460 250 D N 0.833 121.083 120.400 -0.250 0.000 2.354 250 D HA 0.078 4.719 4.640 0.001 0.000 0.238 250 D C 0.233 176.379 176.300 -0.257 0.000 1.250 250 D CA 0.762 54.599 54.000 -0.272 0.000 0.911 250 D CB 0.902 41.509 40.800 -0.322 0.000 1.163 250 D HN 0.773 nan 8.370 nan 0.000 0.456 269 L N 0.794 122.015 121.223 -0.005 0.000 2.468 269 L HA 0.812 5.153 4.340 0.001 0.000 0.254 269 L C 0.932 177.792 176.870 -0.017 0.000 1.171 269 L CA 0.372 55.206 54.840 -0.010 0.000 0.809 269 L CB 0.448 42.496 42.059 -0.018 0.000 1.155 269 L HN 1.030 nan 8.230 nan 0.000 0.473 270 G N 0.800 109.588 108.800 -0.019 0.000 2.829 270 G HA2 -0.202 3.759 3.960 0.001 0.000 0.628 270 G HA3 -0.202 3.759 3.960 0.001 0.000 0.628 270 G C -0.145 174.739 174.900 -0.028 0.000 1.412 270 G CA -0.179 44.904 45.100 -0.029 0.000 0.864 270 G HN 0.903 nan 8.290 nan 0.000 0.544 271 S N -0.573 115.103 115.700 -0.041 0.000 2.499 271 S HA 0.602 5.073 4.470 0.001 0.000 0.238 271 S C 0.413 174.978 174.600 -0.058 0.000 1.205 271 S CA -0.483 57.697 58.200 -0.033 0.000 1.203 271 S CB 0.115 63.301 63.200 -0.023 0.000 0.954 271 S HN 0.745 nan 8.310 nan 0.000 0.484 272 L N 2.746 123.915 121.223 -0.090 0.000 2.436 272 L HA 0.458 4.799 4.340 0.001 0.000 0.265 272 L C -1.511 175.334 176.870 -0.042 0.000 1.168 272 L CA -1.819 52.922 54.840 -0.166 0.000 0.815 272 L CB 0.296 42.185 42.059 -0.284 0.000 1.109 272 L HN 0.286 nan 8.230 nan 0.000 0.462 273 P HA 0.018 nan 4.420 nan 0.000 0.272 273 P C -0.685 176.721 177.300 0.176 0.000 1.230 273 P CA -0.395 62.778 63.100 0.122 0.000 0.788 273 P CB 0.550 32.346 31.700 0.159 0.000 0.949 274 F N 0.903 120.890 119.950 0.062 0.000 2.572 274 F HA 0.345 4.872 4.527 0.001 0.000 0.370 274 F C 1.467 177.309 175.800 0.070 0.000 1.103 274 F CA 1.699 59.730 58.000 0.053 0.000 1.286 274 F CB 0.058 39.073 39.000 0.026 0.000 1.105 274 F HN 0.730 nan 8.300 nan 0.000 0.583 275 G N 3.522 111.857 108.800 -0.776 0.000 2.176 275 G HA2 -0.352 3.609 3.960 0.001 0.000 0.253 275 G HA3 -0.352 3.609 3.960 0.001 0.000 0.253 275 G C -0.099 174.688 174.900 -0.188 0.000 0.979 275 G CA -0.020 44.784 45.100 -0.492 0.000 0.641 275 G HN 0.842 nan 8.290 nan 0.000 0.530 276 Y N 2.581 122.774 120.300 -0.180 0.000 2.632 276 Y HA 0.328 4.879 4.550 0.001 0.000 0.329 276 Y C 0.987 176.830 175.900 -0.094 0.000 1.174 276 Y CA -0.005 58.044 58.100 -0.085 0.000 1.469 276 Y CB 0.479 38.917 38.460 -0.036 0.000 1.242 276 Y HN 0.242 nan 8.280 nan 0.000 0.540 277 D N 4.721 124.933 120.400 -0.313 0.000 2.658 277 D HA -0.186 4.454 4.640 0.001 0.000 0.230 277 D C 1.217 177.492 176.300 -0.041 0.000 1.118 277 D CA 0.868 54.731 54.000 -0.228 0.000 0.848 277 D CB 0.376 40.929 40.800 -0.412 0.000 1.160 277 D HN 0.857 nan 8.370 nan 0.000 0.497 278 H N 3.602 122.580 119.070 -0.153 0.000 2.389 278 H HA -0.101 4.455 4.556 0.001 0.000 0.299 278 H C 1.452 176.687 175.328 -0.156 0.000 1.081 278 H CA 0.611 56.587 56.048 -0.121 0.000 1.345 278 H CB 0.604 30.302 29.762 -0.106 0.000 1.393 278 H HN 0.265 nan 8.280 nan 0.000 0.520 279 K N 0.554 120.862 120.400 -0.153 0.000 2.160 279 K HA -0.196 4.125 4.320 0.001 0.000 0.206 279 K C 0.869 177.371 176.600 -0.164 0.000 1.047 279 K CA 1.253 57.404 56.287 -0.226 0.000 0.930 279 K CB -0.464 31.825 32.500 -0.350 0.000 0.720 279 K HN 0.612 nan 8.250 nan 0.000 0.450 280 Y N 0.810 120.947 120.300 -0.272 0.000 2.708 280 Y HA 0.119 4.670 4.550 0.001 0.000 0.287 280 Y C 0.056 175.689 175.900 -0.444 0.000 1.145 280 Y CA -0.713 57.195 58.100 -0.319 0.000 1.249 280 Y CB 0.695 39.151 38.460 -0.007 0.000 1.152 280 Y HN -0.207 nan 8.280 nan 0.000 0.532 281 T N 0.467 114.739 114.554 -0.469 0.000 2.770 281 T HA 0.322 4.672 4.350 0.001 0.000 0.283 281 T C -1.057 173.257 174.700 -0.643 0.000 0.988 281 T CA -0.328 61.562 62.100 -0.351 0.000 0.957 281 T CB 0.375 69.196 68.868 -0.077 0.000 0.930 281 T HN 0.009 nan 8.240 nan 0.000 0.443 282 Y N 1.476 121.758 120.300 -0.029 0.000 2.334 282 Y HA 0.340 4.890 4.550 0.001 0.000 0.336 282 Y C 1.480 177.296 175.900 -0.141 0.000 0.960 282 Y CA -1.100 56.958 58.100 -0.070 0.000 1.164 282 Y CB 1.423 39.862 38.460 -0.036 0.000 1.155 282 Y HN 0.723 nan 8.280 nan 0.000 0.478 283 S N 0.657 116.277 115.700 -0.133 0.000 2.503 283 S HA 0.180 4.650 4.470 0.001 0.000 0.217 283 S C 0.179 174.416 174.600 -0.605 0.000 0.999 283 S CA 0.248 58.228 58.200 -0.366 0.000 0.914 283 S CB -0.059 62.842 63.200 -0.497 0.000 0.782 283 S HN 0.600 nan 8.310 nan 0.000 0.520 284 H N -0.204 118.755 119.070 -0.186 0.000 2.946 284 H HA 0.434 4.990 4.556 0.001 0.000 0.365 284 H C -1.282 173.914 175.328 -0.220 0.000 1.197 284 H CA -1.164 54.656 56.048 -0.381 0.000 1.131 284 H CB 1.406 30.474 29.762 -1.157 0.000 1.849 284 H HN 0.100 nan 8.280 nan 0.000 0.555 285 L N 2.345 123.613 121.223 0.074 0.000 2.404 285 L HA 0.304 4.644 4.340 0.001 0.000 0.277 285 L C 0.655 177.599 176.870 0.124 0.000 1.184 285 L CA 0.175 55.068 54.840 0.089 0.000 1.013 285 L CB -0.725 41.418 42.059 0.141 0.000 1.318 285 L HN 0.727 nan 8.230 nan 0.000 0.435 286 G N 2.244 111.047 108.800 0.004 0.000 2.557 286 G HA2 0.438 4.398 3.960 0.001 0.000 0.302 286 G HA3 0.438 4.398 3.960 0.001 0.000 0.302 286 G C -1.237 173.547 174.900 -0.193 0.000 1.311 286 G CA -0.307 44.830 45.100 0.063 0.000 1.030 286 G HN 0.406 nan 8.290 nan 0.000 0.509 287 Y N -1.908 118.440 120.300 0.081 0.000 2.857 287 Y HA 0.467 5.018 4.550 0.001 0.000 0.318 287 Y C 0.178 175.972 175.900 -0.176 0.000 1.313 287 Y CA -1.037 57.054 58.100 -0.014 0.000 1.117 287 Y CB 1.908 40.353 38.460 -0.025 0.000 1.344 287 Y HN 0.521 nan 8.280 nan 0.000 0.525 288 N N 0.793 119.471 118.700 -0.037 0.000 2.664 288 N HA 0.393 5.134 4.740 0.001 0.000 0.257 288 N C -1.794 173.612 175.510 -0.173 0.000 1.108 288 N CA -0.063 52.772 53.050 -0.358 0.000 0.822 288 N CB 0.261 38.511 38.487 -0.396 0.000 1.199 288 N HN 0.578 nan 8.380 nan 0.000 0.529 289 L N 2.958 124.081 121.223 -0.167 0.000 3.100 289 L HA 0.368 4.708 4.340 0.001 0.000 0.259 289 L C -0.028 176.772 176.870 -0.116 0.000 1.316 289 L CA -0.259 54.507 54.840 -0.123 0.000 0.992 289 L CB 0.152 42.132 42.059 -0.131 0.000 1.390 289 L HN 0.309 nan 8.230 nan 0.000 0.550 290 K N 1.072 121.388 120.400 -0.139 0.000 2.106 290 K HA 0.658 4.979 4.320 0.001 0.000 0.246 290 K C -0.160 176.407 176.600 -0.055 0.000 0.987 290 K CA -0.693 55.537 56.287 -0.096 0.000 0.904 290 K CB 2.438 34.860 32.500 -0.130 0.000 1.071 290 K HN 0.149 nan 8.250 nan 0.000 0.453 291 I N -2.708 117.848 120.570 -0.025 0.000 3.449 291 I HA 0.498 4.669 4.170 0.001 0.000 0.294 291 I C 0.149 176.258 176.117 -0.013 0.000 1.163 291 I CA -0.854 60.437 61.300 -0.016 0.000 1.010 291 I CB 1.748 39.744 38.000 -0.005 0.000 1.307 291 I HN 0.585 nan 8.210 nan 0.000 0.518 292 T N -2.611 111.933 114.554 -0.016 0.000 2.944 292 T HA 0.308 4.658 4.350 0.001 0.000 0.284 292 T C 0.250 174.957 174.700 0.011 0.000 1.010 292 T CA -0.340 61.751 62.100 -0.016 0.000 1.025 292 T CB 1.583 70.434 68.868 -0.027 0.000 1.079 292 T HN 0.688 nan 8.240 nan 0.000 0.516 293 D N 0.011 120.442 120.400 0.052 0.000 2.312 293 D HA 0.054 4.695 4.640 0.001 0.000 0.211 293 D C 1.707 178.019 176.300 0.020 0.000 0.964 293 D CA 0.700 54.778 54.000 0.131 0.000 0.877 293 D CB -0.248 40.729 40.800 0.296 0.000 0.924 293 D HN 0.467 nan 8.370 nan 0.000 0.515 294 M N -0.299 119.283 119.600 -0.031 0.000 2.099 294 M HA -0.083 4.398 4.480 0.001 0.000 0.262 294 M C 2.088 178.310 176.300 -0.129 0.000 1.067 294 M CA 1.367 56.606 55.300 -0.102 0.000 1.124 294 M CB -0.256 32.305 32.600 -0.066 0.000 1.353 294 M HN -0.058 nan 8.290 nan 0.000 0.410 295 Q N -0.334 119.411 119.800 -0.091 0.000 2.119 295 Q HA -0.069 4.272 4.340 0.001 0.000 0.201 295 Q C 2.279 178.172 176.000 -0.179 0.000 0.972 295 Q CA 1.567 57.305 55.803 -0.109 0.000 0.847 295 Q CB -0.411 28.286 28.738 -0.069 0.000 0.903 295 Q HN 0.606 nan 8.270 nan 0.000 0.433 296 A N 1.226 123.959 122.820 -0.146 0.000 1.883 296 A HA -0.186 4.134 4.320 0.001 0.000 0.217 296 A C 2.311 179.817 177.584 -0.130 0.000 1.186 296 A CA 1.685 53.621 52.037 -0.170 0.000 0.624 296 A CB -0.979 18.050 19.000 0.049 0.000 0.822 296 A HN 0.408 nan 8.150 nan 0.000 0.444 297 A N -0.967 121.729 122.820 -0.206 0.000 1.851 297 A HA -0.270 4.051 4.320 0.001 0.000 0.216 297 A C 2.442 179.901 177.584 -0.208 0.000 1.195 297 A CA 1.860 53.649 52.037 -0.414 0.000 0.622 297 A CB -1.566 16.886 19.000 -0.915 0.000 0.831 297 A HN 0.814 nan 8.150 nan 0.000 0.444 298 C N -0.641 118.540 119.300 -0.200 0.000 2.393 298 C HA -0.094 4.367 4.460 0.001 0.000 0.276 298 C C 2.984 177.910 174.990 -0.106 0.000 1.215 298 C CA 1.472 60.412 59.018 -0.130 0.000 1.743 298 C CB -1.688 25.983 27.740 -0.116 0.000 2.044 298 C HN 0.663 nan 8.230 nan 0.000 0.464 299 G N -0.026 108.650 108.800 -0.207 0.000 2.440 299 G HA2 -0.230 3.731 3.960 0.001 0.000 0.218 299 G HA3 -0.230 3.731 3.960 0.001 0.000 0.218 299 G C 1.483 176.502 174.900 0.198 0.000 1.154 299 G CA 1.124 46.080 45.100 -0.241 0.000 0.767 299 G HN 0.547 nan 8.290 nan 0.000 0.552 300 L N 1.345 122.723 121.223 0.258 0.000 2.046 300 L HA 0.134 4.475 4.340 0.001 0.000 0.208 300 L C 3.070 180.010 176.870 0.117 0.000 1.077 300 L CA 2.122 57.141 54.840 0.297 0.000 0.747 300 L CB -0.797 41.452 42.059 0.316 0.000 0.896 300 L HN 0.243 nan 8.230 nan 0.000 0.432 301 A N -1.304 121.552 122.820 0.059 0.000 1.877 301 A HA -0.221 4.100 4.320 0.001 0.000 0.216 301 A C 2.136 179.709 177.584 -0.018 0.000 1.186 301 A CA 1.552 53.599 52.037 0.016 0.000 0.620 301 A CB -0.589 18.410 19.000 -0.000 0.000 0.822 301 A HN 0.588 nan 8.150 nan 0.000 0.443 302 Q N -0.314 119.483 119.800 -0.005 0.000 2.152 302 Q HA -0.152 4.189 4.340 0.001 0.000 0.206 302 Q C 2.072 178.006 176.000 -0.110 0.000 0.985 302 Q CA 1.238 57.027 55.803 -0.022 0.000 0.863 302 Q CB -0.500 28.264 28.738 0.042 0.000 0.904 302 Q HN 0.719 nan 8.270 nan 0.000 0.422 303 L N 0.686 121.856 121.223 -0.088 0.000 2.349 303 L HA -0.184 4.157 4.340 0.001 0.000 0.220 303 L C 1.820 178.571 176.870 -0.199 0.000 1.130 303 L CA 0.899 55.628 54.840 -0.186 0.000 0.791 303 L CB -0.195 41.745 42.059 -0.199 0.000 0.918 303 L HN 0.241 nan 8.230 nan 0.000 0.444 304 E N -0.415 119.691 120.200 -0.157 0.000 2.482 304 E HA -0.090 4.261 4.350 0.001 0.000 0.196 304 E C 1.620 178.083 176.600 -0.228 0.000 1.047 304 E CA 0.310 56.622 56.400 -0.148 0.000 0.869 304 E CB 0.259 29.903 29.700 -0.094 0.000 0.836 304 E HN 0.480 nan 8.360 nan 0.000 0.520 305 R N -0.556 119.719 120.500 -0.375 0.000 2.419 305 R HA 0.137 4.477 4.340 0.001 0.000 0.235 305 R C 1.856 177.707 176.300 -0.749 0.000 0.899 305 R CA -0.174 55.527 56.100 -0.665 0.000 1.048 305 R CB 0.099 29.745 30.300 -1.091 0.000 1.182 305 R HN 0.025 nan 8.270 nan 0.000 0.544 306 I N 2.535 122.830 120.570 -0.459 0.000 2.145 306 I HA -0.305 3.866 4.170 0.001 0.000 0.244 306 I C 1.684 177.751 176.117 -0.083 0.000 1.075 306 I CA 1.897 63.044 61.300 -0.255 0.000 1.332 306 I CB 0.024 37.739 38.000 -0.475 0.000 1.033 306 I HN 0.110 nan 8.210 nan 0.000 0.410 307 E N -0.025 120.136 120.200 -0.063 0.000 2.085 307 E HA -0.271 4.080 4.350 0.001 0.000 0.194 307 E C 2.191 178.830 176.600 0.065 0.000 0.994 307 E CA 1.509 57.951 56.400 0.070 0.000 0.801 307 E CB -0.275 29.466 29.700 0.069 0.000 0.743 307 E HN 0.608 nan 8.360 nan 0.000 0.453 308 E N 0.029 120.224 120.200 -0.008 0.000 2.017 308 E HA -0.193 4.157 4.350 0.001 0.000 0.193 308 E C 1.815 178.546 176.600 0.218 0.000 0.997 308 E CA 0.968 57.397 56.400 0.049 0.000 0.804 308 E CB -0.087 29.589 29.700 -0.040 0.000 0.757 308 E HN 0.165 nan 8.360 nan 0.000 0.448 309 F N 1.113 121.106 119.950 0.071 0.000 2.063 309 F HA -0.215 4.312 4.527 0.001 0.000 0.298 309 F C 2.618 178.511 175.800 0.154 0.000 1.109 309 F CA 0.851 58.917 58.000 0.110 0.000 1.212 309 F CB -1.311 37.765 39.000 0.126 0.000 0.973 309 F HN -0.043 nan 8.300 nan 0.000 0.480 310 V N -0.481 119.647 119.914 0.356 0.000 2.469 310 V HA -0.238 3.883 4.120 0.001 0.000 0.251 310 V C 2.306 178.532 176.094 0.219 0.000 1.064 310 V CA 1.917 64.377 62.300 0.267 0.000 1.066 310 V CB -0.538 31.403 31.823 0.196 0.000 0.667 310 V HN 0.148 nan 8.190 nan 0.000 0.461 311 E N 0.169 120.485 120.200 0.194 0.000 2.112 311 E HA -0.114 4.237 4.350 0.001 0.000 0.190 311 E C 2.213 178.919 176.600 0.176 0.000 0.979 311 E CA 0.921 57.418 56.400 0.161 0.000 0.814 311 E CB -0.231 29.542 29.700 0.122 0.000 0.762 311 E HN 0.542 nan 8.360 nan 0.000 0.460 312 K N 0.089 120.602 120.400 0.188 0.000 2.211 312 K HA -0.067 4.254 4.320 0.001 0.000 0.203 312 K C 1.999 178.708 176.600 0.181 0.000 1.050 312 K CA 0.861 57.246 56.287 0.163 0.000 0.945 312 K CB 0.119 32.707 32.500 0.147 0.000 0.732 312 K HN -0.056 nan 8.250 nan 0.000 0.451 313 R N 0.392 121.027 120.500 0.225 0.000 2.062 313 R HA -0.042 4.299 4.340 0.001 0.000 0.229 313 R C 2.190 178.703 176.300 0.355 0.000 1.128 313 R CA 1.526 57.791 56.100 0.275 0.000 0.960 313 R CB -0.048 30.442 30.300 0.317 0.000 0.855 313 R HN 0.095 nan 8.270 nan 0.000 0.432 314 K N 0.325 120.921 120.400 0.327 0.000 2.152 314 K HA -0.108 4.212 4.320 0.001 0.000 0.206 314 K C 2.095 178.913 176.600 0.363 0.000 1.048 314 K CA 1.374 57.881 56.287 0.366 0.000 0.933 314 K CB -0.106 32.542 32.500 0.245 0.000 0.721 314 K HN 0.155 nan 8.250 nan 0.000 0.447 315 A N 2.000 124.983 122.820 0.273 0.000 1.840 315 A HA -0.173 4.148 4.320 0.001 0.000 0.214 315 A C 1.770 179.494 177.584 0.232 0.000 1.198 315 A CA 1.589 53.767 52.037 0.236 0.000 0.608 315 A CB -0.806 18.305 19.000 0.185 0.000 0.839 315 A HN 0.334 nan 8.150 nan 0.000 0.443 316 N N -1.428 117.389 118.700 0.194 0.000 2.192 316 N HA -0.212 4.529 4.740 0.001 0.000 0.188 316 N C 1.553 177.144 175.510 0.135 0.000 1.013 316 N CA 1.571 54.690 53.050 0.115 0.000 0.863 316 N CB -0.285 38.249 38.487 0.079 0.000 0.990 316 N HN 0.566 nan 8.380 nan 0.000 0.430 317 F N 2.164 122.170 119.950 0.092 0.000 2.113 317 F HA -0.104 4.424 4.527 0.001 0.000 0.297 317 F C 2.404 178.245 175.800 0.069 0.000 1.103 317 F CA 1.307 59.348 58.000 0.069 0.000 1.248 317 F CB -0.116 38.879 39.000 -0.008 0.000 0.999 317 F HN -0.199 nan 8.300 nan 0.000 0.475 318 K N -0.877 119.700 120.400 0.294 0.000 2.026 318 K HA -0.273 4.047 4.320 0.001 0.000 0.208 318 K C 2.201 178.810 176.600 0.016 0.000 1.048 318 K CA 1.881 58.269 56.287 0.169 0.000 0.929 318 K CB -0.758 31.896 32.500 0.255 0.000 0.713 318 K HN 0.397 nan 8.250 nan 0.000 0.439 319 Y N 1.421 121.660 120.300 -0.101 0.000 2.036 319 Y HA -0.317 4.234 4.550 0.001 0.000 0.273 319 Y C 2.110 177.839 175.900 -0.285 0.000 1.135 319 Y CA 1.914 59.892 58.100 -0.202 0.000 1.106 319 Y CB -0.837 37.420 38.460 -0.338 0.000 0.976 319 Y HN 0.120 nan 8.280 nan 0.000 0.483 320 L N 1.301 122.368 121.223 -0.261 0.000 2.010 320 L HA -0.298 4.042 4.340 0.001 0.000 0.219 320 L C 2.486 178.996 176.870 -0.600 0.000 1.077 320 L CA 2.662 57.182 54.840 -0.533 0.000 0.773 320 L CB -1.052 40.552 42.059 -0.759 0.000 0.892 320 L HN 0.397 nan 8.230 nan 0.000 0.436 321 K N -0.908 119.179 120.400 -0.522 0.000 2.057 321 K HA -0.257 4.064 4.320 0.001 0.000 0.207 321 K C 1.951 178.402 176.600 -0.249 0.000 1.049 321 K CA 1.866 57.971 56.287 -0.302 0.000 0.931 321 K CB -0.329 31.950 32.500 -0.368 0.000 0.714 321 K HN 0.569 nan 8.250 nan 0.000 0.440 322 D N -0.074 120.174 120.400 -0.254 0.000 2.092 322 D HA -0.163 4.478 4.640 0.001 0.000 0.193 322 D C 1.738 177.891 176.300 -0.245 0.000 0.994 322 D CA 1.815 55.691 54.000 -0.206 0.000 0.828 322 D CB -0.115 40.572 40.800 -0.190 0.000 0.963 322 D HN 0.319 nan 8.370 nan 0.000 0.450 323 A N -0.138 122.462 122.820 -0.367 0.000 1.908 323 A HA -0.101 4.220 4.320 0.001 0.000 0.218 323 A C 2.068 179.509 177.584 -0.237 0.000 1.181 323 A CA 1.078 52.910 52.037 -0.341 0.000 0.627 323 A CB -0.862 17.848 19.000 -0.482 0.000 0.818 323 A HN 0.372 nan 8.150 nan 0.000 0.445 324 L N -0.417 120.643 121.223 -0.272 0.000 2.551 324 L HA -0.042 4.298 4.340 0.001 0.000 0.228 324 L C 2.181 178.976 176.870 -0.124 0.000 1.153 324 L CA 1.482 56.190 54.840 -0.219 0.000 0.851 324 L CB -0.779 41.084 42.059 -0.328 0.000 0.959 324 L HN 0.511 nan 8.230 nan 0.000 0.451 325 Q N -0.711 119.017 119.800 -0.120 0.000 2.439 325 Q HA -0.157 4.183 4.340 0.001 0.000 0.211 325 Q C 2.222 178.188 176.000 -0.058 0.000 0.978 325 Q CA 1.304 57.058 55.803 -0.083 0.000 0.897 325 Q CB -0.104 28.584 28.738 -0.083 0.000 0.956 325 Q HN 0.626 nan 8.270 nan 0.000 0.483 326 S N -2.466 113.209 115.700 -0.043 0.000 2.515 326 S HA -0.059 4.411 4.470 0.001 0.000 0.231 326 S C 1.426 176.046 174.600 0.032 0.000 0.987 326 S CA 0.642 58.839 58.200 -0.004 0.000 0.936 326 S CB -0.219 62.989 63.200 0.014 0.000 0.766 326 S HN 0.454 nan 8.310 nan 0.000 0.528 327 C N 1.612 120.932 119.300 0.033 0.000 2.884 327 C HA 0.683 5.144 4.460 0.001 0.000 0.287 327 C C 2.545 177.495 174.990 -0.066 0.000 1.310 327 C CA -0.555 58.497 59.018 0.057 0.000 1.725 327 C CB -1.354 26.484 27.740 0.163 0.000 2.060 327 C HN 0.705 nan 8.230 nan 0.000 0.618 328 A N 1.192 123.960 122.820 -0.086 0.000 2.148 328 A HA -0.229 4.091 4.320 0.001 0.000 0.222 328 A C 1.702 179.167 177.584 -0.200 0.000 1.161 328 A CA 1.952 53.921 52.037 -0.112 0.000 0.662 328 A CB -0.337 18.609 19.000 -0.091 0.000 0.799 328 A HN 0.572 nan 8.150 nan 0.000 0.466 329 D N -1.536 118.644 120.400 -0.366 0.000 2.234 329 D HA -0.005 4.636 4.640 0.001 0.000 0.205 329 D C 1.076 176.951 176.300 -0.708 0.000 0.962 329 D CA 0.964 54.610 54.000 -0.590 0.000 0.855 329 D CB -0.120 40.153 40.800 -0.877 0.000 0.951 329 D HN 0.561 nan 8.370 nan 0.000 0.500 330 F N 0.364 120.154 119.950 -0.266 0.000 2.559 330 F HA 0.176 4.704 4.527 0.001 0.000 0.286 330 F C 1.062 176.772 175.800 -0.150 0.000 1.108 330 F CA -0.218 57.585 58.000 -0.329 0.000 1.436 330 F CB 0.400 38.784 39.000 -1.026 0.000 1.130 330 F HN -0.151 nan 8.300 nan 0.000 0.584 331 I N -1.064 119.525 120.570 0.032 0.000 2.689 331 I HA 0.478 4.649 4.170 0.001 0.000 0.299 331 I C -0.879 175.276 176.117 0.063 0.000 1.059 331 I CA -1.091 60.292 61.300 0.138 0.000 1.055 331 I CB 1.778 39.946 38.000 0.279 0.000 1.243 331 I HN -0.031 nan 8.210 nan 0.000 0.425 332 E N 5.195 125.440 120.200 0.076 0.000 2.115 332 E HA 0.500 4.851 4.350 0.001 0.000 0.282 332 E C -0.757 175.854 176.600 0.017 0.000 0.987 332 E CA -0.591 55.827 56.400 0.030 0.000 0.797 332 E CB 1.839 31.557 29.700 0.030 0.000 1.086 332 E HN 0.480 nan 8.360 nan 0.000 0.397 333 L N 5.290 126.499 121.223 -0.024 0.000 2.436 333 L HA 0.302 4.642 4.340 0.001 0.000 0.265 333 L C -1.794 175.009 176.870 -0.112 0.000 1.168 333 L CA -2.001 52.788 54.840 -0.084 0.000 0.815 333 L CB 0.173 42.187 42.059 -0.075 0.000 1.109 333 L HN 0.340 nan 8.230 nan 0.000 0.462 334 P HA 0.099 nan 4.420 nan 0.000 0.271 334 P C -1.214 176.115 177.300 0.049 0.000 1.216 334 P CA -0.152 62.870 63.100 -0.130 0.000 0.776 334 P CB 0.806 32.217 31.700 -0.483 0.000 0.881 335 E N 0.938 121.251 120.200 0.187 0.000 2.224 335 E HA 0.510 4.860 4.350 0.001 0.000 0.265 335 E C -0.388 176.444 176.600 0.387 0.000 0.878 335 E CA -1.000 55.552 56.400 0.253 0.000 0.759 335 E CB 1.892 31.668 29.700 0.126 0.000 1.164 335 E HN 0.479 nan 8.360 nan 0.000 0.414 336 A N 2.755 125.852 122.820 0.463 0.000 2.483 336 A HA 0.173 4.494 4.320 0.001 0.000 0.238 336 A C 0.359 178.036 177.584 0.154 0.000 1.070 336 A CA -0.005 52.232 52.037 0.334 0.000 0.770 336 A CB 0.213 19.360 19.000 0.245 0.000 1.008 336 A HN 0.567 nan 8.150 nan 0.000 0.497 337 T N 1.815 116.412 114.554 0.072 0.000 2.926 337 T HA 0.149 4.499 4.350 0.001 0.000 0.307 337 T C 0.553 175.279 174.700 0.044 0.000 1.059 337 T CA 0.095 62.239 62.100 0.075 0.000 1.122 337 T CB 0.281 69.204 68.868 0.092 0.000 0.972 337 T HN 0.743 nan 8.240 nan 0.000 0.545 338 E N 2.430 122.659 120.200 0.049 0.000 2.502 338 E HA -0.120 4.231 4.350 0.001 0.000 0.261 338 E C 0.536 177.078 176.600 -0.097 0.000 0.974 338 E CA 0.008 56.409 56.400 0.001 0.000 0.936 338 E CB 0.103 29.816 29.700 0.021 0.000 0.926 338 E HN 0.654 nan 8.360 nan 0.000 0.459 339 N N 2.139 120.749 118.700 -0.150 0.000 2.738 339 N HA -0.225 4.516 4.740 0.001 0.000 0.249 339 N C -1.959 173.281 175.510 -0.450 0.000 1.047 339 N CA 1.241 54.115 53.050 -0.294 0.000 0.707 339 N CB -1.106 37.154 38.487 -0.378 0.000 0.937 339 N HN 0.476 nan 8.380 nan 0.000 0.545 340 S N -0.935 114.621 115.700 -0.240 0.000 2.579 340 S HA 0.558 5.028 4.470 0.001 0.000 0.272 340 S C -1.354 173.163 174.600 -0.139 0.000 1.141 340 S CA -0.809 57.273 58.200 -0.196 0.000 0.843 340 S CB 2.321 65.470 63.200 -0.084 0.000 1.122 340 S HN 0.112 nan 8.310 nan 0.000 0.468 341 D N 2.270 122.581 120.400 -0.148 0.000 2.412 341 D HA 0.437 5.078 4.640 0.001 0.000 0.276 341 D C -2.621 173.538 176.300 -0.235 0.000 1.196 341 D CA -1.757 52.160 54.000 -0.138 0.000 0.905 341 D CB 1.368 42.117 40.800 -0.084 0.000 1.081 341 D HN 0.377 nan 8.370 nan 0.000 0.502 342 P HA 0.035 nan 4.420 nan 0.000 0.267 342 P C -0.088 176.827 177.300 -0.642 0.000 1.209 342 P CA -0.212 62.459 63.100 -0.715 0.000 0.763 342 P CB 1.120 31.994 31.700 -1.377 0.000 0.816 343 S N 4.250 119.729 115.700 -0.367 0.000 3.869 343 S HA 0.155 4.626 4.470 0.001 0.000 0.241 343 S C -0.153 174.487 174.600 0.066 0.000 1.363 343 S CA -0.844 57.307 58.200 -0.082 0.000 0.894 343 S CB -1.031 62.127 63.200 -0.070 0.000 1.519 343 S HN 0.254 nan 8.310 nan 0.000 0.470 344 W N 3.245 124.596 121.300 0.084 0.000 2.493 344 W HA -0.006 4.655 4.660 0.001 0.000 0.337 344 W C 1.042 177.686 176.519 0.209 0.000 1.234 344 W CA -0.199 57.202 57.345 0.092 0.000 1.286 344 W CB 0.058 29.515 29.460 -0.005 0.000 1.188 344 W HN 0.694 nan 8.180 nan 0.000 0.564 345 F N 2.427 122.521 119.950 0.240 0.000 2.374 345 F HA 0.356 4.884 4.527 0.001 0.000 0.291 345 F C 1.242 177.058 175.800 0.026 0.000 1.084 345 F CA 1.361 59.363 58.000 0.004 0.000 1.413 345 F CB 0.090 39.047 39.000 -0.072 0.000 1.099 345 F HN 0.197 nan 8.300 nan 0.000 0.534 346 G N -1.041 107.907 108.800 0.246 0.000 2.645 346 G HA2 0.357 4.317 3.960 0.001 0.000 0.292 346 G HA3 0.357 4.317 3.960 0.001 0.000 0.292 346 G C -2.162 172.964 174.900 0.376 0.000 1.415 346 G CA -0.683 44.559 45.100 0.236 0.000 0.785 346 G HN -0.011 nan 8.290 nan 0.000 0.483 347 F N 2.882 122.993 119.950 0.268 0.000 2.325 347 F HA 0.538 5.065 4.527 0.001 0.000 0.369 347 F C -2.021 173.803 175.800 0.041 0.000 1.095 347 F CA -2.436 55.620 58.000 0.092 0.000 1.082 347 F CB 2.221 41.223 39.000 0.003 0.000 1.289 347 F HN 0.117 nan 8.300 nan 0.000 0.462 348 P HA 0.346 nan 4.420 nan 0.000 0.280 348 P C -0.868 176.193 177.300 -0.397 0.000 1.244 348 P CA -0.023 62.856 63.100 -0.368 0.000 0.784 348 P CB 1.982 33.255 31.700 -0.712 0.000 0.913 349 I N 1.776 122.096 120.570 -0.416 0.000 2.569 349 I HA 0.270 4.440 4.170 0.001 0.000 0.290 349 I C -0.125 175.920 176.117 -0.122 0.000 1.088 349 I CA -0.441 60.678 61.300 -0.302 0.000 1.047 349 I CB 2.537 40.246 38.000 -0.485 0.000 1.237 349 I HN 0.122 nan 8.210 nan 0.000 0.421 350 T N 6.391 121.028 114.554 0.138 0.000 2.770 350 T HA 0.423 4.773 4.350 0.001 0.000 0.283 350 T C -0.486 174.373 174.700 0.265 0.000 0.988 350 T CA -0.354 61.887 62.100 0.237 0.000 0.957 350 T CB 1.168 70.174 68.868 0.231 0.000 0.930 350 T HN 0.288 nan 8.240 nan 0.000 0.443 351 L N 4.365 125.801 121.223 0.353 0.000 2.319 351 L HA 0.413 4.754 4.340 0.001 0.000 0.280 351 L C 0.272 177.295 176.870 0.254 0.000 1.099 351 L CA -0.147 54.909 54.840 0.360 0.000 0.828 351 L CB 0.240 42.546 42.059 0.411 0.000 1.150 351 L HN 0.448 nan 8.230 nan 0.000 0.442 352 K N 3.497 124.034 120.400 0.229 0.000 2.436 352 K HA -0.002 4.318 4.320 0.001 0.000 0.275 352 K C 0.648 177.347 176.600 0.166 0.000 0.999 352 K CA 0.166 56.551 56.287 0.164 0.000 0.980 352 K CB 0.709 33.287 32.500 0.131 0.000 0.919 352 K HN 0.629 nan 8.250 nan 0.000 0.484 353 E N 1.058 121.331 120.200 0.121 0.000 2.274 353 E HA -0.151 4.199 4.350 0.001 0.000 0.194 353 E C 0.421 177.083 176.600 0.103 0.000 0.996 353 E CA 1.118 57.581 56.400 0.106 0.000 0.840 353 E CB 0.039 29.785 29.700 0.078 0.000 0.772 353 E HN 0.570 nan 8.360 nan 0.000 0.491 354 D N -0.773 119.690 120.400 0.104 0.000 2.460 354 D HA -0.017 4.623 4.640 0.001 0.000 0.229 354 D C 0.803 177.191 176.300 0.148 0.000 1.170 354 D CA 0.157 54.216 54.000 0.098 0.000 0.827 354 D CB -0.077 40.763 40.800 0.066 0.000 0.973 354 D HN 0.034 nan 8.370 nan 0.000 0.496 355 S N -1.371 114.451 115.700 0.204 0.000 2.501 355 S HA 0.293 4.763 4.470 0.001 0.000 0.220 355 S C 1.964 176.697 174.600 0.222 0.000 0.997 355 S CA 0.291 58.683 58.200 0.319 0.000 0.919 355 S CB -0.277 63.175 63.200 0.420 0.000 0.778 355 S HN 0.594 nan 8.310 nan 0.000 0.523 356 G N 0.409 109.294 108.800 0.141 0.000 2.195 356 G HA2 -0.225 3.736 3.960 0.001 0.000 0.246 356 G HA3 -0.225 3.736 3.960 0.001 0.000 0.246 356 G C 0.153 175.081 174.900 0.047 0.000 0.984 356 G CA 0.297 45.442 45.100 0.075 0.000 0.633 356 G HN 1.631 nan 8.290 nan 0.000 0.525 357 V N -1.671 118.296 119.914 0.090 0.000 3.141 357 V HA 0.979 5.100 4.120 0.001 0.000 0.312 357 V C 0.195 176.349 176.094 0.099 0.000 1.157 357 V CA -0.015 62.330 62.300 0.074 0.000 1.041 357 V CB 1.696 33.571 31.823 0.086 0.000 1.071 357 V HN 1.451 nan 8.190 nan 0.000 0.441 358 S N 0.776 116.517 115.700 0.067 0.000 2.651 358 S HA 0.517 4.987 4.470 0.001 0.000 0.291 358 S C 0.817 175.429 174.600 0.019 0.000 1.141 358 S CA -0.186 58.044 58.200 0.050 0.000 1.027 358 S CB 1.772 64.988 63.200 0.025 0.000 1.043 358 S HN 1.055 nan 8.310 nan 0.000 0.530 359 R N 0.569 121.073 120.500 0.008 0.000 2.117 359 R HA -0.095 4.245 4.340 0.001 0.000 0.243 359 R C 1.768 177.975 176.300 -0.155 0.000 1.143 359 R CA 1.854 57.907 56.100 -0.077 0.000 0.968 359 R CB -0.671 29.615 30.300 -0.024 0.000 0.863 359 R HN 0.866 nan 8.270 nan 0.000 0.444 360 I N 1.142 121.661 120.570 -0.085 0.000 2.151 360 I HA -0.336 3.834 4.170 0.001 0.000 0.243 360 I C 1.722 177.782 176.117 -0.095 0.000 1.080 360 I CA 1.546 62.794 61.300 -0.086 0.000 1.339 360 I CB -0.536 37.440 38.000 -0.041 0.000 1.039 360 I HN 0.274 nan 8.210 nan 0.000 0.409 361 D N 0.795 121.163 120.400 -0.054 0.000 2.092 361 D HA -0.197 4.444 4.640 0.001 0.000 0.193 361 D C 2.063 178.316 176.300 -0.079 0.000 0.994 361 D CA 1.275 55.273 54.000 -0.004 0.000 0.828 361 D CB -0.408 40.438 40.800 0.076 0.000 0.963 361 D HN 0.191 nan 8.370 nan 0.000 0.450 362 L N 0.983 122.029 121.223 -0.296 0.000 2.017 362 L HA -0.137 4.204 4.340 0.001 0.000 0.208 362 L C 2.369 178.904 176.870 -0.559 0.000 1.073 362 L CA 1.312 55.685 54.840 -0.777 0.000 0.745 362 L CB -0.629 40.902 42.059 -0.880 0.000 0.894 362 L HN -0.135 nan 8.230 nan 0.000 0.432 363 V N 0.020 119.648 119.914 -0.477 0.000 2.287 363 V HA -0.345 3.776 4.120 0.001 0.000 0.248 363 V C 2.664 178.618 176.094 -0.234 0.000 1.053 363 V CA 2.246 64.312 62.300 -0.390 0.000 1.027 363 V CB -0.748 30.882 31.823 -0.321 0.000 0.646 363 V HN 0.537 nan 8.190 nan 0.000 0.447 364 K N -0.775 119.531 120.400 -0.156 0.000 2.097 364 K HA -0.217 4.103 4.320 0.001 0.000 0.206 364 K C 2.115 178.680 176.600 -0.059 0.000 1.049 364 K CA 1.750 57.986 56.287 -0.085 0.000 0.933 364 K CB -0.256 32.220 32.500 -0.039 0.000 0.717 364 K HN 0.406 nan 8.250 nan 0.000 0.442 365 F N 1.632 121.464 119.950 -0.197 0.000 2.075 365 F HA -0.148 4.379 4.527 0.001 0.000 0.297 365 F C 1.667 177.352 175.800 -0.192 0.000 1.113 365 F CA 1.380 59.282 58.000 -0.163 0.000 1.218 365 F CB -0.350 38.546 39.000 -0.172 0.000 0.984 365 F HN -0.062 nan 8.300 nan 0.000 0.472 366 L N 0.074 121.092 121.223 -0.342 0.000 2.042 366 L HA -0.235 4.106 4.340 0.001 0.000 0.210 366 L C 2.291 179.012 176.870 -0.248 0.000 1.076 366 L CA 1.714 56.338 54.840 -0.359 0.000 0.749 366 L CB -0.911 40.985 42.059 -0.272 0.000 0.893 366 L HN 0.190 nan 8.230 nan 0.000 0.432 367 D N 0.387 120.671 120.400 -0.194 0.000 2.123 367 D HA -0.215 4.425 4.640 0.001 0.000 0.196 367 D C 2.022 178.248 176.300 -0.124 0.000 0.992 367 D CA 1.425 55.349 54.000 -0.126 0.000 0.833 367 D CB 0.092 40.829 40.800 -0.106 0.000 0.954 367 D HN 0.361 nan 8.370 nan 0.000 0.455 368 E N -0.311 119.787 120.200 -0.171 0.000 2.204 368 E HA -0.048 4.303 4.350 0.001 0.000 0.194 368 E C 1.674 178.175 176.600 -0.165 0.000 0.989 368 E CA 0.857 57.165 56.400 -0.153 0.000 0.824 368 E CB -0.072 29.534 29.700 -0.156 0.000 0.756 368 E HN 0.282 nan 8.360 nan 0.000 0.477 369 A N 0.967 123.634 122.820 -0.255 0.000 2.259 369 A HA -0.016 4.304 4.320 0.001 0.000 0.208 369 A C 0.368 178.005 177.584 0.088 0.000 1.201 369 A CA 0.055 52.009 52.037 -0.139 0.000 0.824 369 A CB -0.023 18.761 19.000 -0.359 0.000 0.838 369 A HN 0.012 nan 8.150 nan 0.000 0.485 370 K N -2.012 118.402 120.400 0.024 0.000 3.391 370 K HA -0.125 4.196 4.320 0.001 0.000 0.307 370 K C -0.328 176.349 176.600 0.128 0.000 1.304 370 K CA 0.903 57.231 56.287 0.069 0.000 0.904 370 K CB -2.738 29.804 32.500 0.071 0.000 1.293 370 K HN 0.319 nan 8.250 nan 0.000 0.470 371 V N 1.227 121.199 119.914 0.097 0.000 2.318 371 V HA 0.384 4.505 4.120 0.001 0.000 0.271 371 V C 1.339 177.462 176.094 0.048 0.000 1.030 371 V CA -0.207 62.165 62.300 0.120 0.000 0.844 371 V CB 1.233 33.123 31.823 0.112 0.000 1.015 371 V HN 0.349 nan 8.190 nan 0.000 0.460 372 G N 3.950 112.782 108.800 0.053 0.000 2.491 372 G HA2 0.500 4.460 3.960 0.001 0.000 0.242 372 G HA3 0.500 4.460 3.960 0.001 0.000 0.242 372 G C 0.152 175.038 174.900 -0.024 0.000 1.266 372 G CA 0.419 45.515 45.100 -0.005 0.000 0.844 372 G HN 0.803 nan 8.290 nan 0.000 0.571 373 T N -1.050 113.447 114.554 -0.095 0.000 2.864 373 T HA 0.808 5.159 4.350 0.001 0.000 0.299 373 T C -0.750 173.772 174.700 -0.296 0.000 1.166 373 T CA -1.172 60.859 62.100 -0.115 0.000 1.007 373 T CB 2.459 71.316 68.868 -0.018 0.000 1.219 373 T HN 0.550 nan 8.240 nan 0.000 0.506 374 R N 0.854 121.059 120.500 -0.491 0.000 2.626 374 R HA 0.482 4.823 4.340 0.001 0.000 0.274 374 R C -0.727 175.349 176.300 -0.374 0.000 1.031 374 R CA -0.766 54.983 56.100 -0.585 0.000 0.898 374 R CB 1.991 31.589 30.300 -1.170 0.000 1.222 374 R HN 0.717 nan 8.270 nan 0.000 0.455 375 L N 1.462 122.634 121.223 -0.086 0.000 2.475 375 L HA 0.280 4.621 4.340 0.001 0.000 0.253 375 L C 0.846 177.783 176.870 0.113 0.000 1.198 375 L CA -0.864 54.015 54.840 0.065 0.000 0.814 375 L CB 0.255 42.359 42.059 0.076 0.000 1.134 375 L HN 0.325 nan 8.230 nan 0.000 0.478 376 L N 2.747 124.030 121.223 0.099 0.000 2.416 376 L HA 0.151 4.492 4.340 0.001 0.000 0.243 376 L C -0.208 176.626 176.870 -0.059 0.000 1.373 376 L CA 0.494 55.283 54.840 -0.085 0.000 1.227 376 L CB -1.719 40.308 42.059 -0.053 0.000 1.428 376 L HN 0.429 nan 8.230 nan 0.000 0.425 377 F N 0.313 120.463 119.950 0.333 0.000 2.697 377 F HA -0.456 4.072 4.527 0.001 0.000 0.250 377 F C 1.922 177.799 175.800 0.130 0.000 1.066 377 F CA 1.032 59.192 58.000 0.267 0.000 1.366 377 F CB -1.880 37.312 39.000 0.320 0.000 2.184 377 F HN 0.273 nan 8.300 nan 0.000 0.407 378 A N 1.085 124.077 122.820 0.286 0.000 2.225 378 A HA 0.311 4.631 4.320 0.001 0.000 0.215 378 A C 2.255 179.873 177.584 0.056 0.000 1.164 378 A CA 2.657 54.758 52.037 0.107 0.000 0.710 378 A CB -1.452 17.564 19.000 0.027 0.000 0.780 378 A HN 2.333 nan 8.150 nan 0.000 0.473 379 G N -0.062 108.789 108.800 0.085 0.000 5.059 379 G HA2 -0.411 3.549 3.960 0.001 0.000 0.336 379 G HA3 -0.411 3.549 3.960 0.001 0.000 0.336 379 G C 0.315 175.202 174.900 -0.021 0.000 1.364 379 G CA 0.664 45.789 45.100 0.042 0.000 1.020 379 G HN 1.135 nan 8.290 nan 0.000 0.807 380 N N 0.230 118.873 118.700 -0.094 0.000 2.609 380 N HA 0.544 5.284 4.740 0.001 0.000 0.268 380 N C 1.422 176.717 175.510 -0.359 0.000 1.106 380 N CA -0.388 52.533 53.050 -0.215 0.000 0.823 380 N CB 0.663 39.036 38.487 -0.189 0.000 1.263 380 N HN 0.341 nan 8.380 nan 0.000 0.533 381 L N 1.440 122.364 121.223 -0.499 0.000 2.051 381 L HA -0.252 4.089 4.340 0.001 0.000 0.214 381 L C 2.628 178.757 176.870 -1.235 0.000 1.076 381 L CA 2.055 56.428 54.840 -0.778 0.000 0.758 381 L CB -0.691 40.840 42.059 -0.880 0.000 0.890 381 L HN 0.719 nan 8.230 nan 0.000 0.433 382 T N -3.005 110.761 114.554 -1.314 0.000 3.025 382 T HA -0.175 4.176 4.350 0.001 0.000 0.270 382 T C 1.702 176.118 174.700 -0.474 0.000 1.126 382 T CA 0.862 62.288 62.100 -1.124 0.000 1.105 382 T CB -0.237 68.056 68.868 -0.958 0.000 0.884 382 T HN 0.367 nan 8.240 nan 0.000 0.522 383 R N 0.160 120.442 120.500 -0.364 0.000 2.362 383 R HA 0.252 4.593 4.340 0.001 0.000 0.227 383 R C 0.427 176.671 176.300 -0.093 0.000 0.905 383 R CA -0.266 55.739 56.100 -0.158 0.000 1.067 383 R CB 0.296 30.523 30.300 -0.121 0.000 1.078 383 R HN 0.407 nan 8.270 nan 0.000 0.516 384 Q N 1.267 120.983 119.800 -0.139 0.000 2.373 384 Q HA 0.076 4.417 4.340 0.001 0.000 0.255 384 Q C -1.558 174.481 176.000 0.065 0.000 0.980 384 Q CA -1.487 54.310 55.803 -0.009 0.000 0.882 384 Q CB 0.903 29.659 28.738 0.030 0.000 1.249 384 Q HN -0.012 nan 8.270 nan 0.000 0.438 385 P HA -0.215 nan 4.420 nan 0.000 0.216 385 P C 1.141 178.554 177.300 0.188 0.000 1.153 385 P CA 1.712 64.897 63.100 0.141 0.000 0.858 385 P CB -0.282 31.486 31.700 0.113 0.000 0.789 386 Y N -2.327 118.036 120.300 0.104 0.000 2.651 386 Y HA 0.059 4.610 4.550 0.001 0.000 0.296 386 Y C 1.588 177.523 175.900 0.060 0.000 1.150 386 Y CA 0.292 58.432 58.100 0.067 0.000 1.348 386 Y CB -1.625 36.848 38.460 0.021 0.000 0.983 386 Y HN -0.230 nan 8.280 nan 0.000 0.555 387 F N 0.471 120.178 119.950 -0.406 0.000 2.765 387 F HA 0.066 4.594 4.527 0.001 0.000 0.302 387 F C 2.585 178.347 175.800 -0.063 0.000 1.111 387 F CA 0.205 57.975 58.000 -0.382 0.000 1.359 387 F CB -0.495 38.177 39.000 -0.546 0.000 1.097 387 F HN 0.313 nan 8.300 nan 0.000 0.577 388 H N 0.350 119.448 119.070 0.047 0.000 2.325 388 H HA -0.201 4.356 4.556 0.001 0.000 0.293 388 H C 0.683 176.052 175.328 0.068 0.000 1.106 388 H CA 2.282 58.370 56.048 0.066 0.000 1.247 388 H CB 0.216 30.005 29.762 0.045 0.000 1.359 388 H HN 0.186 nan 8.280 nan 0.000 0.488 389 D N 0.333 120.789 120.400 0.095 0.000 2.479 389 D HA 0.119 4.760 4.640 0.001 0.000 0.218 389 D C 0.001 176.306 176.300 0.008 0.000 1.177 389 D CA -0.117 53.902 54.000 0.031 0.000 0.830 389 D CB 0.997 41.858 40.800 0.102 0.000 1.014 389 D HN 0.022 nan 8.370 nan 0.000 0.503 390 V N 1.475 121.378 119.914 -0.019 0.000 2.740 390 V HA -0.025 4.096 4.120 0.001 0.000 0.303 390 V C 0.710 176.880 176.094 0.126 0.000 1.054 390 V CA -0.066 62.201 62.300 -0.054 0.000 1.106 390 V CB 1.316 32.879 31.823 -0.433 0.000 0.957 390 V HN -0.049 nan 8.190 nan 0.000 0.486 391 K N 5.000 125.446 120.400 0.075 0.000 2.248 391 K HA 0.463 4.784 4.320 0.001 0.000 0.281 391 K C -1.084 175.627 176.600 0.184 0.000 1.054 391 K CA -0.376 55.942 56.287 0.052 0.000 0.903 391 K CB 0.521 33.022 32.500 0.002 0.000 1.077 391 K HN 0.698 nan 8.250 nan 0.000 0.474 392 Y N 0.162 120.523 120.300 0.102 0.000 2.670 392 Y HA 0.540 5.090 4.550 0.001 0.000 0.334 392 Y C -1.441 174.541 175.900 0.137 0.000 1.185 392 Y CA -1.411 56.788 58.100 0.165 0.000 1.053 392 Y CB 1.120 39.851 38.460 0.452 0.000 1.298 392 Y HN 0.346 nan 8.280 nan 0.000 0.459 393 R N 1.149 121.805 120.500 0.261 0.000 2.686 393 R HA 0.736 5.077 4.340 0.001 0.000 0.286 393 R C -1.882 174.616 176.300 0.330 0.000 0.969 393 R CA -1.373 54.814 56.100 0.144 0.000 0.898 393 R CB 2.915 33.241 30.300 0.043 0.000 1.183 393 R HN 0.689 nan 8.270 nan 0.000 0.456 394 V N 3.538 123.599 119.914 0.245 0.000 2.483 394 V HA 0.375 4.495 4.120 0.001 0.000 0.297 394 V C -0.997 175.165 176.094 0.114 0.000 1.027 394 V CA -0.587 61.863 62.300 0.249 0.000 0.855 394 V CB 1.879 33.849 31.823 0.244 0.000 0.995 394 V HN 0.473 nan 8.190 nan 0.000 0.424 395 V N 8.290 128.257 119.914 0.088 0.000 2.333 395 V HA 0.895 5.015 4.120 0.001 0.000 0.274 395 V C 0.899 177.012 176.094 0.033 0.000 1.028 395 V CA 0.876 63.199 62.300 0.039 0.000 0.851 395 V CB 0.182 32.012 31.823 0.013 0.000 1.000 395 V HN 1.580 nan 8.190 nan 0.000 0.456 396 G N 5.161 113.976 108.800 0.024 0.000 2.512 396 G HA2 -0.075 3.886 3.960 0.001 0.000 0.210 396 G HA3 -0.075 3.886 3.960 0.001 0.000 0.210 396 G C -0.707 174.205 174.900 0.020 0.000 1.295 396 G CA -0.342 44.768 45.100 0.018 0.000 0.934 396 G HN 0.687 nan 8.290 nan 0.000 0.554 397 E N -0.170 120.038 120.200 0.013 0.000 2.222 397 E HA 0.620 4.971 4.350 0.001 0.000 0.267 397 E C 0.159 176.761 176.600 0.004 0.000 0.963 397 E CA -0.965 55.440 56.400 0.008 0.000 0.837 397 E CB 1.576 31.279 29.700 0.004 0.000 1.183 397 E HN 0.572 nan 8.360 nan 0.000 0.403 398 L N 1.842 123.060 121.223 -0.008 0.000 3.073 398 L HA 0.131 4.471 4.340 0.001 0.000 0.242 398 L C 1.004 177.863 176.870 -0.019 0.000 1.317 398 L CA -0.083 54.743 54.840 -0.023 0.000 1.081 398 L CB -0.192 41.829 42.059 -0.063 0.000 1.456 398 L HN 0.498 nan 8.230 nan 0.000 0.525 399 T N -0.697 113.854 114.554 -0.006 0.000 2.607 399 T HA -0.220 4.131 4.350 0.001 0.000 0.267 399 T C 1.627 176.330 174.700 0.005 0.000 1.049 399 T CA 2.043 64.143 62.100 -0.000 0.000 1.162 399 T CB -0.164 68.706 68.868 0.003 0.000 0.863 399 T HN 0.522 nan 8.240 nan 0.000 0.424 400 N N 0.250 118.953 118.700 0.005 0.000 2.244 400 N HA -0.085 4.656 4.740 0.001 0.000 0.183 400 N C 1.943 177.469 175.510 0.028 0.000 1.016 400 N CA 1.323 54.381 53.050 0.012 0.000 0.866 400 N CB -0.151 38.336 38.487 -0.000 0.000 0.980 400 N HN 0.334 nan 8.380 nan 0.000 0.430 401 T N 0.924 115.485 114.554 0.012 0.000 2.708 401 T HA -0.125 4.226 4.350 0.001 0.000 0.266 401 T C 1.210 175.914 174.700 0.006 0.000 1.037 401 T CA 1.078 63.181 62.100 0.006 0.000 1.146 401 T CB -0.306 68.534 68.868 -0.047 0.000 0.865 401 T HN 0.167 nan 8.240 nan 0.000 0.435 402 D N 0.519 120.914 120.400 -0.009 0.000 2.178 402 D HA -0.050 4.590 4.640 0.001 0.000 0.201 402 D C 2.275 178.592 176.300 0.028 0.000 0.980 402 D CA 0.737 54.735 54.000 -0.003 0.000 0.842 402 D CB -0.202 40.592 40.800 -0.009 0.000 0.948 402 D HN 0.274 nan 8.370 nan 0.000 0.472 403 R N 0.204 120.729 120.500 0.041 0.000 2.092 403 R HA -0.083 4.258 4.340 0.001 0.000 0.231 403 R C 2.175 178.534 176.300 0.099 0.000 1.119 403 R CA 0.538 56.677 56.100 0.065 0.000 0.970 403 R CB 0.013 30.348 30.300 0.059 0.000 0.864 403 R HN 0.092 nan 8.270 nan 0.000 0.440 404 I N 1.093 121.729 120.570 0.110 0.000 2.127 404 I HA -0.331 3.840 4.170 0.001 0.000 0.241 404 I C 2.518 178.707 176.117 0.120 0.000 1.075 404 I CA 1.441 62.834 61.300 0.155 0.000 1.334 404 I CB -1.083 37.015 38.000 0.164 0.000 1.040 404 I HN 0.359 nan 8.210 nan 0.000 0.405 405 M N 0.638 120.284 119.600 0.077 0.000 2.267 405 M HA -0.226 4.254 4.480 0.001 0.000 0.263 405 M C 1.409 177.750 176.300 0.068 0.000 1.063 405 M CA 1.827 57.162 55.300 0.058 0.000 1.090 405 M CB -0.136 32.475 32.600 0.019 0.000 1.392 405 M HN 0.229 nan 8.290 nan 0.000 0.422 406 N N -0.710 118.035 118.700 0.075 0.000 2.415 406 N HA 0.022 4.763 4.740 0.001 0.000 0.174 406 N C 0.948 176.520 175.510 0.103 0.000 1.048 406 N CA 0.722 53.816 53.050 0.073 0.000 0.895 406 N CB 0.375 38.898 38.487 0.059 0.000 1.036 406 N HN 0.447 nan 8.380 nan 0.000 0.449 407 Q N -0.663 119.221 119.800 0.140 0.000 2.113 407 Q HA 0.246 4.586 4.340 0.001 0.000 0.225 407 Q C -0.306 175.862 176.000 0.281 0.000 0.786 407 Q CA 0.212 56.127 55.803 0.186 0.000 0.989 407 Q CB 1.271 30.109 28.738 0.167 0.000 1.174 407 Q HN 0.081 nan 8.270 nan 0.000 0.470 408 T N 1.715 116.428 114.554 0.264 0.000 2.929 408 T HA 0.711 5.062 4.350 0.001 0.000 0.284 408 T C -0.306 174.609 174.700 0.358 0.000 1.014 408 T CA -0.365 61.901 62.100 0.278 0.000 1.051 408 T CB 0.769 69.763 68.868 0.210 0.000 1.028 408 T HN 0.159 nan 8.240 nan 0.000 0.485 409 F N -0.813 119.190 119.950 0.088 0.000 2.770 409 F HA 0.721 5.248 4.527 0.001 0.000 0.313 409 F C -2.319 173.578 175.800 0.162 0.000 1.154 409 F CA -1.584 56.456 58.000 0.067 0.000 0.923 409 F CB 1.077 40.088 39.000 0.017 0.000 1.301 409 F HN 0.724 nan 8.300 nan 0.000 0.449 410 W N 3.124 124.399 121.300 -0.041 0.000 2.962 410 W HA 0.843 5.504 4.660 0.001 0.000 0.341 410 W C -1.569 175.031 176.519 0.135 0.000 1.155 410 W CA -1.412 55.871 57.345 -0.103 0.000 1.165 410 W CB 0.869 30.275 29.460 -0.090 0.000 1.435 410 W HN 0.964 nan 8.180 nan 0.000 0.546 411 I N -0.388 120.434 120.570 0.420 0.000 3.516 411 I HA 0.960 5.130 4.170 0.001 0.000 0.297 411 I C 0.086 176.458 176.117 0.425 0.000 1.139 411 I CA -1.399 60.093 61.300 0.320 0.000 1.020 411 I CB 1.552 39.728 38.000 0.293 0.000 1.341 411 I HN 0.500 nan 8.210 nan 0.000 0.490 412 G N 1.135 110.104 108.800 0.281 0.000 2.356 412 G HA2 0.608 4.569 3.960 0.001 0.000 0.298 412 G HA3 0.608 4.569 3.960 0.001 0.000 0.298 412 G C -0.102 174.927 174.900 0.214 0.000 1.145 412 G CA -0.623 44.666 45.100 0.316 0.000 0.850 412 G HN 0.796 nan 8.290 nan 0.000 0.487 413 I N -0.025 120.695 120.570 0.249 0.000 3.820 413 I HA 0.266 4.437 4.170 0.001 0.000 0.323 413 I C -0.098 176.081 176.117 0.103 0.000 1.482 413 I CA -0.956 60.427 61.300 0.139 0.000 1.048 413 I CB -0.333 37.803 38.000 0.228 0.000 1.436 413 I HN 0.500 nan 8.210 nan 0.000 0.575 414 Y N -0.160 120.116 120.300 -0.041 0.000 2.314 414 Y HA 0.550 5.101 4.550 0.001 0.000 0.334 414 Y C -1.649 174.172 175.900 -0.132 0.000 1.266 414 Y CA -1.936 56.090 58.100 -0.124 0.000 1.391 414 Y CB -0.333 38.001 38.460 -0.210 0.000 1.306 414 Y HN -0.196 nan 8.280 nan 0.000 0.558 415 P HA -0.180 nan 4.420 nan 0.000 0.219 415 P C 1.268 178.339 177.300 -0.382 0.000 1.145 415 P CA 2.502 65.443 63.100 -0.266 0.000 0.813 415 P CB -0.100 31.366 31.700 -0.391 0.000 0.771 416 G N -2.228 106.116 108.800 -0.760 0.000 2.920 416 G HA2 0.071 4.031 3.960 0.001 0.000 0.208 416 G HA3 0.071 4.031 3.960 0.001 0.000 0.208 416 G C 0.109 174.553 174.900 -0.760 0.000 1.159 416 G CA 0.068 44.770 45.100 -0.662 0.000 0.784 416 G HN 0.138 nan 8.290 nan 0.000 0.535 417 L N 1.914 122.659 121.223 -0.797 0.000 2.296 417 L HA 0.448 4.789 4.340 0.001 0.000 0.286 417 L C 0.740 177.479 176.870 -0.218 0.000 1.023 417 L CA -0.749 53.719 54.840 -0.620 0.000 0.812 417 L CB 1.564 43.298 42.059 -0.541 0.000 1.223 417 L HN 0.102 nan 8.230 nan 0.000 0.421 418 T N -1.678 112.907 114.554 0.052 0.000 2.912 418 T HA 0.272 4.622 4.350 0.001 0.000 0.280 418 T C 1.187 175.915 174.700 0.046 0.000 0.989 418 T CA -0.340 61.801 62.100 0.069 0.000 0.995 418 T CB 0.706 69.621 68.868 0.078 0.000 1.077 418 T HN 0.520 nan 8.240 nan 0.000 0.531 419 H N 0.287 119.231 119.070 -0.211 0.000 2.460 419 H HA -0.008 4.548 4.556 0.001 0.000 0.297 419 H C 1.505 176.749 175.328 -0.140 0.000 1.103 419 H CA 1.878 57.747 56.048 -0.298 0.000 1.292 419 H CB -0.454 29.044 29.762 -0.440 0.000 1.376 419 H HN 0.757 nan 8.280 nan 0.000 0.531 420 D N -1.249 119.105 120.400 -0.076 0.000 2.149 420 D HA -0.094 4.547 4.640 0.001 0.000 0.201 420 D C 2.005 177.935 176.300 -0.617 0.000 0.972 420 D CA 0.751 54.628 54.000 -0.205 0.000 0.835 420 D CB -0.007 40.698 40.800 -0.158 0.000 0.966 420 D HN 0.483 nan 8.370 nan 0.000 0.476 421 H N 0.342 118.961 119.070 -0.751 0.000 2.293 421 H HA -0.037 4.520 4.556 0.001 0.000 0.300 421 H C 2.274 177.416 175.328 -0.310 0.000 1.082 421 H CA 0.926 56.459 56.048 -0.859 0.000 1.308 421 H CB -0.298 29.172 29.762 -0.487 0.000 1.375 421 H HN 0.179 nan 8.280 nan 0.000 0.495 422 L N 0.397 121.600 121.223 -0.034 0.000 2.046 422 L HA -0.174 4.167 4.340 0.001 0.000 0.208 422 L C 2.263 179.158 176.870 0.042 0.000 1.077 422 L CA 1.052 55.896 54.840 0.007 0.000 0.747 422 L CB -0.461 41.613 42.059 0.024 0.000 0.896 422 L HN 0.120 nan 8.230 nan 0.000 0.432 423 D N -0.469 119.984 120.400 0.087 0.000 2.133 423 D HA -0.262 4.379 4.640 0.001 0.000 0.195 423 D C 1.908 178.285 176.300 0.128 0.000 0.997 423 D CA 1.468 55.530 54.000 0.102 0.000 0.840 423 D CB -0.236 40.647 40.800 0.137 0.000 0.947 423 D HN 0.335 nan 8.370 nan 0.000 0.452 424 Y N 1.252 121.576 120.300 0.040 0.000 2.181 424 Y HA -0.196 4.355 4.550 0.001 0.000 0.288 424 Y C 2.225 178.212 175.900 0.144 0.000 1.146 424 Y CA 1.045 59.230 58.100 0.142 0.000 1.164 424 Y CB -0.389 38.245 38.460 0.290 0.000 0.982 424 Y HN -0.196 nan 8.280 nan 0.000 0.515 425 V N -0.834 119.148 119.914 0.114 0.000 2.332 425 V HA -0.319 3.801 4.120 0.001 0.000 0.248 425 V C 2.386 178.556 176.094 0.127 0.000 1.055 425 V CA 1.764 64.120 62.300 0.093 0.000 1.038 425 V CB -0.894 31.007 31.823 0.129 0.000 0.651 425 V HN 0.356 nan 8.190 nan 0.000 0.450 426 V N 0.914 120.848 119.914 0.035 0.000 2.295 426 V HA -0.254 3.867 4.120 0.001 0.000 0.246 426 V C 2.755 178.914 176.094 0.110 0.000 1.049 426 V CA 2.427 64.743 62.300 0.026 0.000 1.024 426 V CB -0.802 30.975 31.823 -0.077 0.000 0.648 426 V HN 0.796 nan 8.190 nan 0.000 0.447 427 S N -0.532 115.196 115.700 0.046 0.000 2.400 427 S HA -0.232 4.239 4.470 0.001 0.000 0.232 427 S C 1.985 176.630 174.600 0.075 0.000 1.025 427 S CA 1.134 59.365 58.200 0.052 0.000 0.993 427 S CB -0.357 62.860 63.200 0.027 0.000 0.808 427 S HN 0.443 nan 8.310 nan 0.000 0.478 428 K N 0.647 121.048 120.400 0.002 0.000 2.057 428 K HA 0.130 4.450 4.320 0.001 0.000 0.206 428 K C 1.679 178.449 176.600 0.283 0.000 1.050 428 K CA 0.932 57.267 56.287 0.079 0.000 0.935 428 K CB -0.807 31.601 32.500 -0.153 0.000 0.715 428 K HN 0.487 nan 8.250 nan 0.000 0.439 429 F N 1.974 122.016 119.950 0.153 0.000 2.134 429 F HA -0.149 4.379 4.527 0.001 0.000 0.299 429 F C 2.283 178.277 175.800 0.323 0.000 1.097 429 F CA 1.406 59.552 58.000 0.244 0.000 1.264 429 F CB -0.114 39.034 39.000 0.247 0.000 1.001 429 F HN 0.166 nan 8.300 nan 0.000 0.479 430 E N -0.369 120.080 120.200 0.415 0.000 2.072 430 E HA -0.246 4.105 4.350 0.001 0.000 0.191 430 E C 2.141 178.881 176.600 0.233 0.000 0.985 430 E CA 1.206 57.797 56.400 0.317 0.000 0.801 430 E CB -0.279 29.544 29.700 0.206 0.000 0.750 430 E HN 0.469 nan 8.360 nan 0.000 0.452 431 E N 0.316 120.634 120.200 0.197 0.000 2.110 431 E HA -0.218 4.133 4.350 0.001 0.000 0.193 431 E C 1.843 178.430 176.600 -0.022 0.000 0.988 431 E CA 0.773 57.266 56.400 0.155 0.000 0.804 431 E CB -0.094 29.739 29.700 0.222 0.000 0.745 431 E HN 0.190 nan 8.360 nan 0.000 0.458 432 F N 0.197 119.955 119.950 -0.320 0.000 2.075 432 F HA -0.147 4.381 4.527 0.001 0.000 0.297 432 F C 1.485 176.854 175.800 -0.718 0.000 1.113 432 F CA 1.381 58.860 58.000 -0.868 0.000 1.218 432 F CB -0.232 38.093 39.000 -1.124 0.000 0.984 432 F HN -0.009 nan 8.300 nan 0.000 0.472 433 F N 0.962 120.800 119.950 -0.188 0.000 2.804 433 F HA 0.275 4.802 4.527 0.001 0.000 0.303 433 F C 1.746 177.385 175.800 -0.269 0.000 1.154 433 F CA 0.497 58.263 58.000 -0.391 0.000 1.401 433 F CB -0.737 38.103 39.000 -0.265 0.000 1.106 433 F HN 0.147 nan 8.300 nan 0.000 0.568 434 G N 0.591 109.368 108.800 -0.038 0.000 2.273 434 G HA2 -0.295 3.666 3.960 0.001 0.000 0.280 434 G HA3 -0.295 3.666 3.960 0.001 0.000 0.280 434 G C 0.672 175.693 174.900 0.202 0.000 1.047 434 G CA 0.227 45.364 45.100 0.063 0.000 0.869 434 G HN 0.313 nan 8.290 nan 0.000 0.502 435 L N 0.542 121.903 121.223 0.229 0.000 2.529 435 L HA 0.192 4.532 4.340 0.001 0.000 0.223 435 L C 2.136 179.099 176.870 0.155 0.000 1.113 435 L CA 1.246 56.214 54.840 0.214 0.000 0.861 435 L CB -0.213 41.986 42.059 0.233 0.000 1.012 435 L HN 0.560 nan 8.230 nan 0.000 0.461 436 N N -0.955 117.835 118.700 0.150 0.000 2.449 436 N HA -0.025 4.716 4.740 0.001 0.000 0.191 436 N C 0.122 175.485 175.510 -0.246 0.000 1.161 436 N CA 0.236 53.266 53.050 -0.033 0.000 0.863 436 N CB 0.006 38.449 38.487 -0.073 0.000 0.980 436 N HN 0.142 nan 8.380 nan 0.000 0.458 437 F N 0.000 119.969 119.950 0.032 0.000 2.286 437 F HA 0.000 4.528 4.527 0.001 0.000 0.279 437 F CA 0.000 58.013 58.000 0.021 0.000 1.383 437 F CB 0.000 39.005 39.000 0.008 0.000 1.145 437 F HN 0.000 nan 8.300 nan 0.000 0.574