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 1qsa_1_A DATA FIRST_RESID 1 DATA SEQUENCE DSLDEQRSRY AQIKQAWDNR QMDVVEQMMP GLKDYPLYPY LEYRQITDDL DATA SEQUENCE MNQPAVTVTN FVRANPTLPP ARTLQSRFVN ELARREDWRG LLAFSPEKPG DATA SEQUENCE TTEAQcNYYY AKWNTGQSEE AWQGAKELWL TGKSQPNAcD KLFSVWRASG DATA SEQUENCE KQDPLAYLER IRLAMKAGNT GLVTVLAGQM PADYQTIASA IISLANNPNT DATA SEQUENCE VLTFARTTGA TDFTRQMAAV AFASVARQDA ENARLMIPSL AQAQQLNEDQ DATA SEQUENCE IQELRDIVAW RLMGNDVTDE QAKWRDDAIM RSQSTSLIER RVRMALGTGD DATA SEQUENCE RRGLNTWLAR LPMEAKEKDE WRYWQADLLL ERGREAEAKE ILHQLMQQRG DATA SEQUENCE FYPMVAAQRI GEEYELKIDK APQNVDSALT QGPEMARVRE LMYWNLDNTA DATA SEQUENCE RSEWANLVKS KSKTEQAQLA RYAFNNQWWD LSVQATIAGK LWDHLEERFP DATA SEQUENCE LAYNDLFKRY TSGKEIPQSY AMAIARQESA WNPKVKSPVG ASGLMQIMPG DATA SEQUENCE TATHTVKMFS IPGYSSPGQL LDPETNINIG TSYLQYVYQQ FGNNRIFSSA DATA SEQUENCE AYNAGPGRVR TWLGNSAGRI DAVAFVESIP FSETRGYVKN VLAYDAYYRY DATA SEQUENCE FMGDKPTLMS ATEWGRRY 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 1 D HA 0.000 nan 4.640 nan 0.000 0.175 1 D C 0.000 176.316 176.300 0.027 0.000 2.045 1 D CA 0.000 54.015 54.000 0.025 0.000 0.868 1 D CB 0.000 40.818 40.800 0.031 0.000 0.688 2 S N -0.072 115.649 115.700 0.034 0.000 2.587 2 S HA 0.347 4.818 4.470 0.001 0.000 0.269 2 S C 0.298 174.929 174.600 0.051 0.000 1.154 2 S CA -0.637 57.583 58.200 0.034 0.000 0.824 2 S CB 1.069 64.281 63.200 0.019 0.000 1.118 2 S HN 0.417 nan 8.310 nan 0.000 0.462 3 L N 1.479 122.734 121.223 0.053 0.000 2.042 3 L HA 0.026 4.367 4.340 0.001 0.000 0.210 3 L C 1.949 178.844 176.870 0.042 0.000 1.076 3 L CA 2.778 57.670 54.840 0.086 0.000 0.749 3 L CB -1.020 41.065 42.059 0.043 0.000 0.893 3 L HN 1.015 nan 8.230 nan 0.000 0.432 4 D N -0.992 119.404 120.400 -0.006 0.000 2.117 4 D HA -0.225 4.416 4.640 0.001 0.000 0.197 4 D C 2.013 178.320 176.300 0.011 0.000 0.987 4 D CA 1.562 55.546 54.000 -0.028 0.000 0.829 4 D CB 0.013 40.797 40.800 -0.026 0.000 0.961 4 D HN 0.530 nan 8.370 nan 0.000 0.460 5 E N -0.420 119.794 120.200 0.022 0.000 2.106 5 E HA -0.194 4.157 4.350 0.001 0.000 0.192 5 E C 2.306 178.919 176.600 0.022 0.000 0.984 5 E CA 0.712 57.130 56.400 0.030 0.000 0.806 5 E CB -0.025 29.693 29.700 0.029 0.000 0.750 5 E HN 0.454 nan 8.360 nan 0.000 0.458 6 Q N 0.351 120.155 119.800 0.006 0.000 2.124 6 Q HA -0.151 4.189 4.340 0.001 0.000 0.202 6 Q C 2.158 178.015 176.000 -0.239 0.000 0.977 6 Q CA 1.123 56.873 55.803 -0.087 0.000 0.850 6 Q CB -0.067 28.670 28.738 -0.002 0.000 0.901 6 Q HN 0.152 nan 8.270 nan 0.000 0.429 7 R N -0.114 120.330 120.500 -0.092 0.000 2.083 7 R HA -0.121 4.220 4.340 0.001 0.000 0.237 7 R C 2.510 179.029 176.300 0.365 0.000 1.137 7 R CA 1.619 57.827 56.100 0.180 0.000 0.951 7 R CB -0.216 30.170 30.300 0.144 0.000 0.851 7 R HN 0.110 nan 8.270 nan 0.000 0.434 8 S N 0.321 116.149 115.700 0.213 0.000 2.356 8 S HA -0.102 4.368 4.470 0.001 0.000 0.223 8 S C 1.806 176.474 174.600 0.114 0.000 1.032 8 S CA 1.116 59.431 58.200 0.192 0.000 1.005 8 S CB -0.137 63.136 63.200 0.122 0.000 0.867 8 S HN 0.324 nan 8.310 nan 0.000 0.449 9 R N -0.501 120.038 120.500 0.065 0.000 2.120 9 R HA -0.086 4.254 4.340 0.001 0.000 0.234 9 R C 2.142 178.464 176.300 0.037 0.000 1.123 9 R CA 1.253 57.377 56.100 0.041 0.000 0.975 9 R CB -0.427 29.895 30.300 0.037 0.000 0.866 9 R HN 0.467 nan 8.270 nan 0.000 0.446 10 Y N 1.366 121.587 120.300 -0.131 0.000 2.163 10 Y HA -0.184 4.367 4.550 0.001 0.000 0.288 10 Y C 2.382 178.159 175.900 -0.205 0.000 1.136 10 Y CA 1.347 59.345 58.100 -0.170 0.000 1.147 10 Y CB -0.410 37.866 38.460 -0.307 0.000 0.987 10 Y HN 0.027 nan 8.280 nan 0.000 0.509 11 A N -0.057 122.633 122.820 -0.217 0.000 1.933 11 A HA -0.250 4.071 4.320 0.001 0.000 0.218 11 A C 2.067 179.528 177.584 -0.206 0.000 1.175 11 A CA 1.971 53.789 52.037 -0.365 0.000 0.628 11 A CB -0.706 18.171 19.000 -0.205 0.000 0.814 11 A HN 0.668 nan 8.150 nan 0.000 0.444 12 Q N -0.900 118.845 119.800 -0.092 0.000 2.119 12 Q HA 0.007 4.348 4.340 0.001 0.000 0.201 12 Q C 2.045 178.014 176.000 -0.052 0.000 0.972 12 Q CA 1.327 57.101 55.803 -0.049 0.000 0.847 12 Q CB -0.228 28.507 28.738 -0.005 0.000 0.903 12 Q HN 0.764 nan 8.270 nan 0.000 0.433 13 I N 0.610 121.144 120.570 -0.061 0.000 2.394 13 I HA -0.276 3.895 4.170 0.001 0.000 0.251 13 I C 1.659 177.796 176.117 0.032 0.000 1.136 13 I CA 1.161 62.462 61.300 0.002 0.000 1.425 13 I CB 0.137 38.171 38.000 0.057 0.000 1.079 13 I HN 0.123 nan 8.210 nan 0.000 0.425 14 K N 0.043 120.357 120.400 -0.144 0.000 2.097 14 K HA -0.239 4.081 4.320 0.001 0.000 0.205 14 K C 2.089 178.648 176.600 -0.067 0.000 1.050 14 K CA 1.386 57.572 56.287 -0.168 0.000 0.938 14 K CB -0.179 32.073 32.500 -0.414 0.000 0.718 14 K HN 0.412 nan 8.250 nan 0.000 0.442 15 Q N 0.662 120.414 119.800 -0.080 0.000 2.084 15 Q HA -0.174 4.166 4.340 0.001 0.000 0.202 15 Q C 2.022 178.026 176.000 0.008 0.000 0.978 15 Q CA 1.608 57.386 55.803 -0.041 0.000 0.844 15 Q CB -0.102 28.609 28.738 -0.044 0.000 0.898 15 Q HN 0.322 nan 8.270 nan 0.000 0.426 16 A N 0.474 123.307 122.820 0.022 0.000 1.877 16 A HA -0.198 4.123 4.320 0.001 0.000 0.216 16 A C 1.805 179.439 177.584 0.084 0.000 1.186 16 A CA 1.219 53.273 52.037 0.028 0.000 0.620 16 A CB -1.319 17.680 19.000 -0.002 0.000 0.822 16 A HN 0.757 nan 8.150 nan 0.000 0.443 17 W N 1.348 122.599 121.300 -0.083 0.000 2.363 17 W HA -0.132 4.529 4.660 0.001 0.000 0.296 17 W C 1.138 177.615 176.519 -0.070 0.000 1.212 17 W CA 1.924 59.223 57.345 -0.078 0.000 1.260 17 W CB -0.559 28.844 29.460 -0.096 0.000 1.131 17 W HN 0.425 nan 8.180 nan 0.000 0.530 18 D N -0.514 119.989 120.400 0.171 0.000 2.218 18 D HA -0.155 4.486 4.640 0.001 0.000 0.204 18 D C 1.404 177.739 176.300 0.058 0.000 0.976 18 D CA 1.134 55.173 54.000 0.065 0.000 0.853 18 D CB -0.521 40.277 40.800 -0.004 0.000 0.939 18 D HN 0.151 nan 8.370 nan 0.000 0.481 19 N N 0.529 119.262 118.700 0.055 0.000 2.336 19 N HA 0.005 4.745 4.740 0.001 0.000 0.189 19 N C -0.040 175.486 175.510 0.026 0.000 1.113 19 N CA 0.035 53.102 53.050 0.028 0.000 0.858 19 N CB 0.392 38.886 38.487 0.012 0.000 0.970 19 N HN -0.059 nan 8.380 nan 0.000 0.471 20 R N 0.282 120.813 120.500 0.051 0.000 3.651 20 R HA -0.182 4.158 4.340 0.001 0.000 0.292 20 R C -0.617 175.663 176.300 -0.034 0.000 1.161 20 R CA 0.366 56.478 56.100 0.020 0.000 0.787 20 R CB -2.952 27.360 30.300 0.019 0.000 1.249 20 R HN 0.530 nan 8.270 nan 0.000 0.476 21 Q N 0.584 120.360 119.800 -0.040 0.000 2.844 21 Q HA 0.185 4.526 4.340 0.001 0.000 0.235 21 Q C 1.181 177.111 176.000 -0.117 0.000 1.336 21 Q CA -0.328 55.438 55.803 -0.060 0.000 1.026 21 Q CB 0.429 29.143 28.738 -0.040 0.000 1.513 21 Q HN 0.083 nan 8.270 nan 0.000 0.577 22 M N 0.631 120.143 119.600 -0.147 0.000 2.460 22 M HA -0.126 4.355 4.480 0.001 0.000 0.263 22 M C 1.228 177.419 176.300 -0.182 0.000 1.071 22 M CA 1.019 56.184 55.300 -0.225 0.000 1.096 22 M CB -0.705 31.763 32.600 -0.220 0.000 1.408 22 M HN 0.465 nan 8.290 nan 0.000 0.463 23 D N 0.368 120.696 120.400 -0.120 0.000 2.144 23 D HA -0.089 4.551 4.640 0.001 0.000 0.200 23 D C 1.970 178.215 176.300 -0.092 0.000 0.978 23 D CA 0.978 54.922 54.000 -0.093 0.000 0.833 23 D CB -0.909 39.852 40.800 -0.064 0.000 0.961 23 D HN 0.238 nan 8.370 nan 0.000 0.470 24 V N 0.852 120.712 119.914 -0.090 0.000 2.307 24 V HA -0.192 3.928 4.120 0.001 0.000 0.245 24 V C 2.926 178.959 176.094 -0.101 0.000 1.045 24 V CA 1.173 63.428 62.300 -0.074 0.000 1.024 24 V CB -0.359 31.431 31.823 -0.055 0.000 0.651 24 V HN 0.098 nan 8.190 nan 0.000 0.449 25 V N 0.008 119.817 119.914 -0.176 0.000 2.287 25 V HA -0.298 3.823 4.120 0.001 0.000 0.248 25 V C 2.423 178.383 176.094 -0.223 0.000 1.053 25 V CA 2.212 64.353 62.300 -0.265 0.000 1.027 25 V CB -0.710 30.745 31.823 -0.613 0.000 0.646 25 V HN 0.615 nan 8.190 nan 0.000 0.447 26 E N -0.380 119.694 120.200 -0.211 0.000 2.085 26 E HA -0.311 4.040 4.350 0.001 0.000 0.194 26 E C 2.295 178.851 176.600 -0.072 0.000 0.994 26 E CA 1.553 57.868 56.400 -0.142 0.000 0.801 26 E CB -0.148 29.476 29.700 -0.126 0.000 0.743 26 E HN 0.651 nan 8.360 nan 0.000 0.453 27 Q N 0.085 119.848 119.800 -0.062 0.000 2.123 27 Q HA -0.110 4.231 4.340 0.001 0.000 0.199 27 Q C 2.027 178.023 176.000 -0.007 0.000 0.966 27 Q CA 1.055 56.841 55.803 -0.030 0.000 0.845 27 Q CB 0.134 28.855 28.738 -0.029 0.000 0.907 27 Q HN 0.295 nan 8.270 nan 0.000 0.439 28 M N -0.606 118.990 119.600 -0.006 0.000 2.388 28 M HA -0.051 4.430 4.480 0.001 0.000 0.265 28 M C 2.159 178.509 176.300 0.083 0.000 1.088 28 M CA 0.596 55.915 55.300 0.031 0.000 1.134 28 M CB -0.021 32.596 32.600 0.028 0.000 1.384 28 M HN 0.299 nan 8.290 nan 0.000 0.447 29 M N 1.341 120.993 119.600 0.088 0.000 2.073 29 M HA -0.157 4.323 4.480 0.001 0.000 0.258 29 M C -0.975 175.473 176.300 0.246 0.000 1.070 29 M CA 2.500 57.925 55.300 0.208 0.000 1.103 29 M CB -1.019 31.675 32.600 0.158 0.000 1.321 29 M HN -0.067 nan 8.290 nan 0.000 0.405 30 P HA -0.077 nan 4.420 nan 0.000 0.218 30 P C 1.143 178.448 177.300 0.009 0.000 1.148 30 P CA 1.923 65.058 63.100 0.058 0.000 0.822 30 P CB -0.471 31.250 31.700 0.035 0.000 0.784 31 G N -1.056 107.769 108.800 0.042 0.000 2.679 31 G HA2 -0.117 3.844 3.960 0.001 0.000 0.212 31 G HA3 -0.117 3.844 3.960 0.001 0.000 0.212 31 G C 1.100 176.030 174.900 0.050 0.000 1.137 31 G CA 0.178 45.297 45.100 0.032 0.000 0.787 31 G HN 0.266 nan 8.290 nan 0.000 0.534 32 L N -0.512 120.768 121.223 0.095 0.000 2.667 32 L HA 0.251 4.592 4.340 0.001 0.000 0.232 32 L C 2.183 179.070 176.870 0.029 0.000 1.138 32 L CA -0.113 54.841 54.840 0.189 0.000 0.921 32 L CB 0.278 42.574 42.059 0.395 0.000 1.180 32 L HN 0.092 nan 8.230 nan 0.000 0.487 33 K N 0.108 120.276 120.400 -0.387 0.000 2.152 33 K HA -0.169 4.151 4.320 0.001 0.000 0.206 33 K C 0.858 177.305 176.600 -0.255 0.000 1.048 33 K CA 1.254 57.058 56.287 -0.805 0.000 0.933 33 K CB 0.030 32.174 32.500 -0.593 0.000 0.721 33 K HN 0.249 nan 8.250 nan 0.000 0.447 34 D N -0.703 119.665 120.400 -0.054 0.000 2.349 34 D HA -0.064 4.576 4.640 0.001 0.000 0.215 34 D C -0.130 176.251 176.300 0.134 0.000 1.016 34 D CA 0.280 54.301 54.000 0.035 0.000 0.870 34 D CB -0.048 40.773 40.800 0.034 0.000 0.917 34 D HN 0.087 nan 8.370 nan 0.000 0.524 35 Y N 1.395 121.737 120.300 0.070 0.000 2.359 35 Y HA 0.171 4.722 4.550 0.001 0.000 0.330 35 Y C -1.576 174.394 175.900 0.117 0.000 1.143 35 Y CA -2.250 55.907 58.100 0.096 0.000 1.318 35 Y CB 1.134 39.678 38.460 0.140 0.000 1.234 35 Y HN -0.172 nan 8.280 nan 0.000 0.522 36 P HA -0.206 nan 4.420 nan 0.000 0.217 36 P C 0.935 178.102 177.300 -0.221 0.000 1.148 36 P CA 1.802 64.698 63.100 -0.340 0.000 0.828 36 P CB 0.144 31.611 31.700 -0.389 0.000 0.783 37 L N -3.241 117.709 121.223 -0.455 0.000 2.612 37 L HA 0.032 4.372 4.340 0.001 0.000 0.230 37 L C 2.028 179.127 176.870 0.383 0.000 1.140 37 L CA 0.007 54.862 54.840 0.025 0.000 0.896 37 L CB -0.756 41.158 42.059 -0.241 0.000 1.065 37 L HN -0.034 nan 8.230 nan 0.000 0.447 38 Y N 2.559 123.025 120.300 0.277 0.000 2.193 38 Y HA -0.177 4.373 4.550 0.001 0.000 0.285 38 Y C -0.512 175.583 175.900 0.324 0.000 1.166 38 Y CA 1.698 60.005 58.100 0.345 0.000 1.181 38 Y CB -1.106 37.513 38.460 0.266 0.000 0.976 38 Y HN 0.172 nan 8.280 nan 0.000 0.520 39 P HA -0.185 nan 4.420 nan 0.000 0.218 39 P C 0.970 178.356 177.300 0.144 0.000 1.148 39 P CA 1.873 65.077 63.100 0.174 0.000 0.822 39 P CB -0.276 31.462 31.700 0.064 0.000 0.784 40 Y N -1.020 119.375 120.300 0.159 0.000 2.242 40 Y HA -0.110 4.441 4.550 0.001 0.000 0.291 40 Y C 2.242 178.191 175.900 0.081 0.000 1.137 40 Y CA 0.965 59.152 58.100 0.145 0.000 1.181 40 Y CB -1.027 37.518 38.460 0.142 0.000 0.989 40 Y HN -0.127 nan 8.280 nan 0.000 0.527 41 L N -0.378 120.955 121.223 0.184 0.000 2.056 41 L HA -0.201 4.140 4.340 0.001 0.000 0.207 41 L C 2.437 179.294 176.870 -0.023 0.000 1.078 41 L CA 1.572 56.442 54.840 0.050 0.000 0.749 41 L CB -0.451 41.685 42.059 0.128 0.000 0.901 41 L HN 0.238 nan 8.230 nan 0.000 0.433 42 E N -0.331 119.758 120.200 -0.184 0.000 2.077 42 E HA -0.286 4.065 4.350 0.001 0.000 0.193 42 E C 2.177 178.559 176.600 -0.364 0.000 0.989 42 E CA 1.260 57.522 56.400 -0.230 0.000 0.800 42 E CB -0.140 29.471 29.700 -0.149 0.000 0.746 42 E HN 0.439 nan 8.360 nan 0.000 0.452 43 Y N 1.217 121.255 120.300 -0.436 0.000 2.181 43 Y HA -0.208 4.342 4.550 0.001 0.000 0.288 43 Y C 2.393 178.126 175.900 -0.277 0.000 1.146 43 Y CA 2.129 59.940 58.100 -0.481 0.000 1.164 43 Y CB -0.159 38.195 38.460 -0.177 0.000 0.982 43 Y HN -0.105 nan 8.280 nan 0.000 0.515 44 R N 0.186 120.579 120.500 -0.179 0.000 2.081 44 R HA -0.238 4.102 4.340 0.001 0.000 0.235 44 R C 2.512 178.737 176.300 -0.125 0.000 1.131 44 R CA 1.944 57.866 56.100 -0.297 0.000 0.960 44 R CB -0.383 29.542 30.300 -0.625 0.000 0.856 44 R HN 0.565 nan 8.270 nan 0.000 0.436 45 Q N 0.359 120.210 119.800 0.084 0.000 2.050 45 Q HA -0.164 4.177 4.340 0.001 0.000 0.202 45 Q C 2.080 178.037 176.000 -0.071 0.000 0.980 45 Q CA 1.849 57.763 55.803 0.185 0.000 0.840 45 Q CB -0.062 28.763 28.738 0.146 0.000 0.898 45 Q HN 0.442 nan 8.270 nan 0.000 0.424 46 I N 0.621 121.038 120.570 -0.254 0.000 2.179 46 I HA -0.263 3.907 4.170 0.001 0.000 0.242 46 I C 2.484 178.419 176.117 -0.303 0.000 1.088 46 I CA 1.701 62.809 61.300 -0.320 0.000 1.357 46 I CB -0.514 37.188 38.000 -0.496 0.000 1.051 46 I HN 0.414 nan 8.210 nan 0.000 0.409 47 T N -2.845 111.455 114.554 -0.423 0.000 2.995 47 T HA -0.123 4.228 4.350 0.001 0.000 0.269 47 T C 1.432 176.024 174.700 -0.180 0.000 1.091 47 T CA 1.000 62.888 62.100 -0.353 0.000 1.128 47 T CB -0.370 68.162 68.868 -0.559 0.000 0.891 47 T HN 0.163 nan 8.240 nan 0.000 0.492 48 D N 1.663 121.994 120.400 -0.116 0.000 2.218 48 D HA -0.019 4.622 4.640 0.001 0.000 0.204 48 D C 0.928 177.214 176.300 -0.024 0.000 0.976 48 D CA 1.054 55.044 54.000 -0.017 0.000 0.853 48 D CB -0.174 40.687 40.800 0.102 0.000 0.939 48 D HN 0.478 nan 8.370 nan 0.000 0.481 49 D N -0.854 119.516 120.400 -0.049 0.000 2.895 49 D HA 0.049 4.690 4.640 0.001 0.000 0.350 49 D C 1.141 177.415 176.300 -0.043 0.000 1.389 49 D CA -0.269 53.708 54.000 -0.039 0.000 0.812 49 D CB -0.082 40.695 40.800 -0.038 0.000 1.164 49 D HN -0.108 nan 8.370 nan 0.000 0.455 50 L N 0.421 121.617 121.223 -0.046 0.000 2.127 50 L HA -0.028 4.313 4.340 0.001 0.000 0.211 50 L C 1.911 178.813 176.870 0.055 0.000 1.089 50 L CA 1.629 56.467 54.840 -0.004 0.000 0.757 50 L CB -0.286 41.776 42.059 0.005 0.000 0.899 50 L HN 0.294 nan 8.230 nan 0.000 0.434 51 M N -1.169 118.439 119.600 0.012 0.000 2.460 51 M HA -0.122 4.358 4.480 0.001 0.000 0.263 51 M C 0.737 177.039 176.300 0.003 0.000 1.071 51 M CA 0.947 56.247 55.300 -0.000 0.000 1.096 51 M CB -0.201 32.388 32.600 -0.019 0.000 1.408 51 M HN 0.297 nan 8.290 nan 0.000 0.463 52 N N -0.573 118.131 118.700 0.006 0.000 2.177 52 N HA 0.094 4.834 4.740 0.001 0.000 0.218 52 N C -0.325 175.190 175.510 0.008 0.000 1.182 52 N CA 0.118 53.169 53.050 0.001 0.000 0.882 52 N CB 0.571 39.050 38.487 -0.013 0.000 1.052 52 N HN 0.299 nan 8.380 nan 0.000 0.519 53 Q N 1.918 121.734 119.800 0.027 0.000 2.286 53 Q HA 0.292 4.633 4.340 0.001 0.000 0.257 53 Q C -2.136 173.889 176.000 0.042 0.000 0.941 53 Q CA -1.359 54.436 55.803 -0.013 0.000 0.912 53 Q CB 1.117 29.782 28.738 -0.123 0.000 1.192 53 Q HN 0.185 nan 8.270 nan 0.000 0.410 54 P HA 0.105 nan 4.420 nan 0.000 0.278 54 P C -0.084 177.226 177.300 0.016 0.000 1.238 54 P CA -0.038 63.087 63.100 0.042 0.000 0.794 54 P CB 0.913 32.624 31.700 0.018 0.000 0.955 55 A N 2.976 125.876 122.820 0.134 0.000 1.948 55 A HA -0.151 4.169 4.320 0.001 0.000 0.220 55 A C 2.158 179.801 177.584 0.098 0.000 1.177 55 A CA 1.815 53.948 52.037 0.160 0.000 0.636 55 A CB -1.566 17.631 19.000 0.329 0.000 0.815 55 A HN 0.381 nan 8.150 nan 0.000 0.449 56 V N -0.381 119.585 119.914 0.088 0.000 2.392 56 V HA -0.236 3.884 4.120 0.001 0.000 0.249 56 V C 2.728 178.850 176.094 0.046 0.000 1.059 56 V CA 2.465 64.814 62.300 0.081 0.000 1.051 56 V CB -1.081 30.778 31.823 0.060 0.000 0.658 56 V HN 0.639 nan 8.190 nan 0.000 0.455 57 T N -0.226 114.319 114.554 -0.014 0.000 2.777 57 T HA -0.142 4.209 4.350 0.001 0.000 0.266 57 T C 1.915 176.595 174.700 -0.032 0.000 1.040 57 T CA 1.629 63.711 62.100 -0.031 0.000 1.141 57 T CB -0.131 68.687 68.868 -0.083 0.000 0.868 57 T HN 0.315 nan 8.240 nan 0.000 0.444 58 V N 1.456 121.272 119.914 -0.163 0.000 2.307 58 V HA -0.163 3.958 4.120 0.001 0.000 0.245 58 V C 2.795 178.999 176.094 0.183 0.000 1.045 58 V CA 1.911 64.122 62.300 -0.149 0.000 1.024 58 V CB -1.222 30.133 31.823 -0.780 0.000 0.651 58 V HN 0.487 nan 8.190 nan 0.000 0.449 59 T N 0.624 115.340 114.554 0.271 0.000 2.684 59 T HA -0.201 4.150 4.350 0.001 0.000 0.267 59 T C 1.856 176.631 174.700 0.125 0.000 1.036 59 T CA 1.850 64.091 62.100 0.237 0.000 1.148 59 T CB -0.417 68.574 68.868 0.206 0.000 0.863 59 T HN 0.422 nan 8.240 nan 0.000 0.436 60 N N 0.680 119.450 118.700 0.116 0.000 2.120 60 N HA -0.038 4.703 4.740 0.001 0.000 0.188 60 N C 1.492 177.069 175.510 0.111 0.000 1.024 60 N CA 0.831 53.937 53.050 0.092 0.000 0.852 60 N CB -0.596 37.944 38.487 0.089 0.000 1.003 60 N HN 0.372 nan 8.380 nan 0.000 0.424 61 F N 1.546 121.505 119.950 0.016 0.000 2.113 61 F HA -0.095 4.433 4.527 0.001 0.000 0.297 61 F C 2.098 177.911 175.800 0.022 0.000 1.103 61 F CA 0.827 58.837 58.000 0.018 0.000 1.248 61 F CB -0.354 38.650 39.000 0.006 0.000 0.999 61 F HN -0.217 nan 8.300 nan 0.000 0.475 62 V N 1.088 121.014 119.914 0.019 0.000 2.343 62 V HA -0.272 3.848 4.120 0.001 0.000 0.247 62 V C 2.531 178.542 176.094 -0.138 0.000 1.051 62 V CA 1.895 64.150 62.300 -0.074 0.000 1.036 62 V CB -0.684 31.182 31.823 0.072 0.000 0.654 62 V HN 0.230 nan 8.190 nan 0.000 0.451 63 R N 0.757 121.209 120.500 -0.081 0.000 2.115 63 R HA 0.065 4.406 4.340 0.001 0.000 0.230 63 R C 2.162 178.398 176.300 -0.106 0.000 1.111 63 R CA 1.325 57.378 56.100 -0.080 0.000 0.976 63 R CB -1.352 28.923 30.300 -0.041 0.000 0.870 63 R HN 0.526 nan 8.270 nan 0.000 0.445 64 A N 0.950 123.689 122.820 -0.135 0.000 2.167 64 A HA 0.030 4.351 4.320 0.001 0.000 0.214 64 A C 0.557 178.016 177.584 -0.208 0.000 1.151 64 A CA 0.454 52.409 52.037 -0.135 0.000 0.735 64 A CB 0.001 18.948 19.000 -0.088 0.000 0.802 64 A HN 0.210 nan 8.150 nan 0.000 0.467 65 N N 0.037 118.544 118.700 -0.322 0.000 2.723 65 N HA 0.138 4.879 4.740 0.001 0.000 0.290 65 N C -2.342 173.017 175.510 -0.252 0.000 1.882 65 N CA -0.888 51.956 53.050 -0.343 0.000 0.851 65 N CB 1.124 39.232 38.487 -0.632 0.000 1.234 65 N HN 0.242 nan 8.380 nan 0.000 0.491 66 P HA -0.131 nan 4.420 nan 0.000 0.219 66 P C 1.099 178.335 177.300 -0.106 0.000 1.146 66 P CA 1.507 64.534 63.100 -0.121 0.000 0.808 66 P CB 0.136 31.780 31.700 -0.093 0.000 0.779 67 T N -4.227 110.262 114.554 -0.108 0.000 3.092 67 T HA 0.228 4.579 4.350 0.001 0.000 0.258 67 T C 0.509 175.153 174.700 -0.093 0.000 1.031 67 T CA -0.480 61.568 62.100 -0.086 0.000 0.925 67 T CB -0.602 68.225 68.868 -0.068 0.000 1.036 67 T HN -0.110 nan 8.240 nan 0.000 0.544 68 L N 3.026 124.162 121.223 -0.145 0.000 2.315 68 L HA 0.420 4.761 4.340 0.001 0.000 0.283 68 L C -1.792 174.982 176.870 -0.160 0.000 1.089 68 L CA -2.139 52.586 54.840 -0.191 0.000 0.833 68 L CB 1.452 43.330 42.059 -0.302 0.000 1.170 68 L HN -0.166 nan 8.230 nan 0.000 0.442 69 P HA -0.121 nan 4.420 nan 0.000 0.215 69 P C -1.529 175.700 177.300 -0.118 0.000 1.157 69 P CA 1.632 64.690 63.100 -0.070 0.000 0.874 69 P CB -0.772 30.925 31.700 -0.004 0.000 0.790 70 P HA -0.072 nan 4.420 nan 0.000 0.223 70 P C 1.156 178.368 177.300 -0.147 0.000 1.151 70 P CA 1.492 64.353 63.100 -0.398 0.000 0.787 70 P CB -0.420 30.674 31.700 -1.010 0.000 0.788 71 A N 0.724 123.514 122.820 -0.050 0.000 1.968 71 A HA -0.113 4.208 4.320 0.001 0.000 0.217 71 A C 2.373 180.005 177.584 0.079 0.000 1.169 71 A CA 0.898 52.999 52.037 0.107 0.000 0.638 71 A CB -0.873 18.020 19.000 -0.179 0.000 0.812 71 A HN 0.092 nan 8.150 nan 0.000 0.446 72 R N -0.387 120.118 120.500 0.008 0.000 2.090 72 R HA -0.077 4.263 4.340 0.001 0.000 0.228 72 R C 2.383 178.725 176.300 0.070 0.000 1.110 72 R CA 1.790 57.904 56.100 0.023 0.000 0.973 72 R CB -0.704 29.590 30.300 -0.009 0.000 0.869 72 R HN 0.709 nan 8.270 nan 0.000 0.440 73 T N -0.325 114.273 114.554 0.072 0.000 2.951 73 T HA -0.057 4.294 4.350 0.001 0.000 0.268 73 T C 1.844 176.657 174.700 0.188 0.000 1.073 73 T CA 0.525 62.690 62.100 0.107 0.000 1.134 73 T CB -0.129 68.788 68.868 0.081 0.000 0.884 73 T HN 0.057 nan 8.240 nan 0.000 0.479 74 L N 1.282 122.659 121.223 0.256 0.000 2.191 74 L HA -0.019 4.322 4.340 0.001 0.000 0.212 74 L C 2.599 179.682 176.870 0.354 0.000 1.103 74 L CA 1.514 56.557 54.840 0.337 0.000 0.769 74 L CB -0.816 41.499 42.059 0.427 0.000 0.908 74 L HN 0.331 nan 8.230 nan 0.000 0.438 75 Q N -0.855 119.141 119.800 0.327 0.000 2.030 75 Q HA -0.198 4.143 4.340 0.001 0.000 0.204 75 Q C 2.232 178.475 176.000 0.405 0.000 0.986 75 Q CA 2.247 58.292 55.803 0.404 0.000 0.843 75 Q CB -0.371 28.475 28.738 0.180 0.000 0.904 75 Q HN 0.738 nan 8.270 nan 0.000 0.420 76 S N 0.694 116.541 115.700 0.246 0.000 2.383 76 S HA -0.150 4.321 4.470 0.001 0.000 0.227 76 S C 1.894 176.610 174.600 0.193 0.000 1.026 76 S CA 0.950 59.267 58.200 0.194 0.000 0.981 76 S CB -0.287 62.989 63.200 0.127 0.000 0.818 76 S HN 0.269 nan 8.310 nan 0.000 0.472 77 R N 0.036 120.659 120.500 0.205 0.000 2.081 77 R HA -0.041 4.299 4.340 0.001 0.000 0.235 77 R C 2.043 178.447 176.300 0.174 0.000 1.131 77 R CA 1.398 57.602 56.100 0.173 0.000 0.960 77 R CB -0.422 29.990 30.300 0.186 0.000 0.856 77 R HN 0.441 nan 8.270 nan 0.000 0.436 78 F N 0.432 120.401 119.950 0.033 0.000 2.259 78 F HA -0.055 4.473 4.527 0.001 0.000 0.298 78 F C 1.888 177.610 175.800 -0.130 0.000 1.088 78 F CA 0.689 58.603 58.000 -0.144 0.000 1.358 78 F CB -0.126 38.638 39.000 -0.394 0.000 1.040 78 F HN -0.199 nan 8.300 nan 0.000 0.505 79 V N 0.676 120.637 119.914 0.079 0.000 2.343 79 V HA -0.331 3.790 4.120 0.001 0.000 0.247 79 V C 2.167 178.238 176.094 -0.038 0.000 1.051 79 V CA 2.130 64.473 62.300 0.073 0.000 1.036 79 V CB -0.678 31.287 31.823 0.235 0.000 0.654 79 V HN 0.330 nan 8.190 nan 0.000 0.451 80 N N -0.003 118.696 118.700 -0.002 0.000 2.244 80 N HA -0.170 4.571 4.740 0.001 0.000 0.183 80 N C 1.870 177.312 175.510 -0.113 0.000 1.016 80 N CA 1.417 54.460 53.050 -0.012 0.000 0.866 80 N CB -0.295 38.210 38.487 0.030 0.000 0.980 80 N HN 0.594 nan 8.380 nan 0.000 0.430 81 E N 1.315 121.386 120.200 -0.214 0.000 2.072 81 E HA -0.020 4.331 4.350 0.001 0.000 0.191 81 E C 1.964 178.302 176.600 -0.438 0.000 0.985 81 E CA 0.825 57.044 56.400 -0.301 0.000 0.801 81 E CB -0.412 29.098 29.700 -0.318 0.000 0.750 81 E HN 0.304 nan 8.360 nan 0.000 0.452 82 L N -0.036 120.811 121.223 -0.627 0.000 2.131 82 L HA -0.095 4.245 4.340 0.001 0.000 0.210 82 L C 2.499 179.084 176.870 -0.475 0.000 1.092 82 L CA 1.047 55.547 54.840 -0.567 0.000 0.759 82 L CB -0.557 41.168 42.059 -0.557 0.000 0.903 82 L HN 0.228 nan 8.230 nan 0.000 0.435 83 A N -0.041 122.581 122.820 -0.331 0.000 1.930 83 A HA -0.217 4.103 4.320 0.001 0.000 0.217 83 A C 2.453 179.850 177.584 -0.312 0.000 1.175 83 A CA 1.433 53.275 52.037 -0.325 0.000 0.627 83 A CB -0.522 18.551 19.000 0.122 0.000 0.815 83 A HN 0.323 nan 8.150 nan 0.000 0.443 84 R N -0.190 120.190 120.500 -0.201 0.000 2.096 84 R HA -0.092 4.249 4.340 0.001 0.000 0.235 84 R C 1.974 178.162 176.300 -0.186 0.000 1.127 84 R CA 1.464 57.481 56.100 -0.138 0.000 0.968 84 R CB -0.186 30.050 30.300 -0.107 0.000 0.861 84 R HN 0.507 nan 8.270 nan 0.000 0.440 85 R N 0.314 120.649 120.500 -0.275 0.000 2.307 85 R HA 0.009 4.350 4.340 0.001 0.000 0.199 85 R C -0.008 176.081 176.300 -0.351 0.000 1.000 85 R CA 0.648 56.590 56.100 -0.264 0.000 1.023 85 R CB 0.070 30.207 30.300 -0.271 0.000 0.908 85 R HN 0.323 nan 8.270 nan 0.000 0.473 86 E N 0.621 120.475 120.200 -0.578 0.000 2.791 86 E HA -0.199 4.152 4.350 0.001 0.000 0.271 86 E C -0.653 175.276 176.600 -1.118 0.000 1.044 86 E CA 0.650 56.488 56.400 -0.938 0.000 0.814 86 E CB -0.945 28.608 29.700 -0.244 0.000 1.400 86 E HN 0.232 nan 8.360 nan 0.000 0.423 87 D N -0.414 119.462 120.400 -0.874 0.000 2.631 87 D HA 0.105 4.746 4.640 0.001 0.000 0.227 87 D C 0.506 176.529 176.300 -0.462 0.000 1.146 87 D CA -0.190 53.498 54.000 -0.519 0.000 1.009 87 D CB -0.355 40.247 40.800 -0.330 0.000 1.057 87 D HN 0.255 nan 8.370 nan 0.000 0.509 88 W N 1.524 122.816 121.300 -0.014 0.000 2.358 88 W HA -0.072 4.589 4.660 0.001 0.000 0.303 88 W C 2.505 178.999 176.519 -0.042 0.000 1.208 88 W CA 0.117 57.448 57.345 -0.024 0.000 1.274 88 W CB -0.155 29.278 29.460 -0.045 0.000 1.138 88 W HN 0.253 nan 8.180 nan 0.000 0.515 89 R N 0.925 121.498 120.500 0.121 0.000 2.081 89 R HA -0.113 4.227 4.340 0.001 0.000 0.235 89 R C 2.398 178.728 176.300 0.051 0.000 1.131 89 R CA 1.970 58.106 56.100 0.061 0.000 0.960 89 R CB -1.003 29.314 30.300 0.029 0.000 0.856 89 R HN 0.252 nan 8.270 nan 0.000 0.436 90 G N 1.286 110.096 108.800 0.017 0.000 2.422 90 G HA2 -0.256 3.705 3.960 0.001 0.000 0.218 90 G HA3 -0.256 3.705 3.960 0.001 0.000 0.218 90 G C 1.459 176.413 174.900 0.091 0.000 1.146 90 G CA 0.577 45.697 45.100 0.034 0.000 0.769 90 G HN 0.338 nan 8.290 nan 0.000 0.547 91 L N -0.020 121.238 121.223 0.058 0.000 2.012 91 L HA 0.002 4.343 4.340 0.001 0.000 0.210 91 L C 2.754 179.755 176.870 0.218 0.000 1.073 91 L CA 1.152 56.074 54.840 0.137 0.000 0.748 91 L CB -0.128 42.019 42.059 0.148 0.000 0.891 91 L HN 0.197 nan 8.230 nan 0.000 0.431 92 L N -0.712 120.595 121.223 0.140 0.000 2.217 92 L HA -0.108 4.233 4.340 0.001 0.000 0.211 92 L C 2.696 179.636 176.870 0.116 0.000 1.107 92 L CA 0.760 55.661 54.840 0.101 0.000 0.783 92 L CB -0.701 41.354 42.059 -0.006 0.000 0.919 92 L HN 0.320 nan 8.230 nan 0.000 0.442 93 A N -0.260 122.637 122.820 0.128 0.000 1.968 93 A HA -0.202 4.118 4.320 0.001 0.000 0.217 93 A C 2.102 179.785 177.584 0.165 0.000 1.169 93 A CA 1.049 53.158 52.037 0.121 0.000 0.638 93 A CB -0.531 18.537 19.000 0.113 0.000 0.812 93 A HN 0.402 nan 8.150 nan 0.000 0.446 94 F N 0.210 120.218 119.950 0.097 0.000 2.234 94 F HA 0.189 4.717 4.527 0.001 0.000 0.296 94 F C 1.217 177.093 175.800 0.128 0.000 1.089 94 F CA 1.427 59.507 58.000 0.134 0.000 1.343 94 F CB 0.158 39.278 39.000 0.199 0.000 1.040 94 F HN 0.126 nan 8.300 nan 0.000 0.498 95 S N 1.752 117.493 115.700 0.068 0.000 2.158 95 S HA 0.339 4.809 4.470 0.001 0.000 0.160 95 S C -1.790 172.901 174.600 0.151 0.000 1.693 95 S CA -1.363 56.840 58.200 0.005 0.000 1.251 95 S CB 0.324 63.614 63.200 0.150 0.000 1.153 95 S HN 0.017 nan 8.310 nan 0.000 0.439 96 P HA -0.011 nan 4.420 nan 0.000 0.220 96 P C 0.019 177.446 177.300 0.211 0.000 1.148 96 P CA 0.966 64.149 63.100 0.138 0.000 0.803 96 P CB 0.183 31.916 31.700 0.054 0.000 0.782 97 E N 0.400 120.636 120.200 0.060 0.000 2.227 97 E HA 0.198 4.549 4.350 0.001 0.000 0.268 97 E C 0.062 176.389 176.600 -0.456 0.000 0.990 97 E CA -1.178 55.175 56.400 -0.078 0.000 0.856 97 E CB 1.088 30.736 29.700 -0.087 0.000 1.159 97 E HN -0.008 nan 8.360 nan 0.000 0.401 98 K N 3.180 123.153 120.400 -0.712 0.000 2.491 98 K HA 0.031 4.352 4.320 0.001 0.000 0.279 98 K C -1.960 174.331 176.600 -0.515 0.000 1.026 98 K CA -0.839 54.823 56.287 -1.042 0.000 1.070 98 K CB 0.096 32.302 32.500 -0.490 0.000 0.887 98 K HN 0.201 nan 8.250 nan 0.000 0.481 99 P HA 0.049 nan 4.420 nan 0.000 0.277 99 P C 0.403 177.654 177.300 -0.083 0.000 1.276 99 P CA -0.288 62.717 63.100 -0.159 0.000 0.788 99 P CB 0.604 32.275 31.700 -0.049 0.000 1.114 100 G N -0.490 108.299 108.800 -0.019 0.000 2.396 100 G HA2 -0.033 3.927 3.960 0.001 0.000 0.214 100 G HA3 -0.033 3.927 3.960 0.001 0.000 0.214 100 G C 0.613 175.530 174.900 0.027 0.000 1.166 100 G CA 0.879 45.981 45.100 0.004 0.000 0.793 100 G HN 0.738 nan 8.290 nan 0.000 0.533 101 T N -2.470 112.111 114.554 0.044 0.000 2.899 101 T HA 0.421 4.771 4.350 0.001 0.000 0.284 101 T C 1.387 176.126 174.700 0.065 0.000 1.004 101 T CA 0.342 62.476 62.100 0.056 0.000 1.043 101 T CB 1.578 70.485 68.868 0.066 0.000 1.013 101 T HN -0.076 nan 8.240 nan 0.000 0.518 102 T N 0.575 115.171 114.554 0.069 0.000 2.746 102 T HA -0.111 4.240 4.350 0.001 0.000 0.267 102 T C 1.700 176.452 174.700 0.087 0.000 1.039 102 T CA 1.658 63.809 62.100 0.084 0.000 1.142 102 T CB -0.388 68.528 68.868 0.080 0.000 0.866 102 T HN 0.858 nan 8.240 nan 0.000 0.444 103 E N 0.951 121.195 120.200 0.073 0.000 2.051 103 E HA -0.145 4.205 4.350 0.001 0.000 0.192 103 E C 2.402 179.056 176.600 0.089 0.000 0.991 103 E CA 1.080 57.521 56.400 0.069 0.000 0.799 103 E CB -0.220 29.516 29.700 0.059 0.000 0.748 103 E HN 0.480 nan 8.360 nan 0.000 0.449 104 A N 0.618 123.495 122.820 0.095 0.000 1.933 104 A HA -0.226 4.095 4.320 0.001 0.000 0.218 104 A C 2.035 179.696 177.584 0.129 0.000 1.175 104 A CA 1.531 53.637 52.037 0.114 0.000 0.628 104 A CB -0.443 18.620 19.000 0.104 0.000 0.814 104 A HN 0.334 nan 8.150 nan 0.000 0.444 105 Q N -1.028 118.839 119.800 0.112 0.000 2.079 105 Q HA -0.159 4.181 4.340 0.001 0.000 0.200 105 Q C 2.281 178.441 176.000 0.266 0.000 0.974 105 Q CA 1.585 57.477 55.803 0.148 0.000 0.840 105 Q CB -0.460 28.388 28.738 0.183 0.000 0.898 105 Q HN 0.763 nan 8.270 nan 0.000 0.430 106 c N 1.057 119.775 118.600 0.197 0.000 2.413 106 c HA -0.117 4.453 4.570 0.001 0.000 0.276 106 c C 2.269 176.469 174.090 0.184 0.000 1.248 106 c CA 0.645 57.063 56.329 0.148 0.000 1.742 106 c CB -1.045 41.473 42.510 0.014 0.000 2.017 106 c HN 0.542 nan 8.230 nan 0.000 0.481 107 N N -0.352 118.464 118.700 0.194 0.000 2.270 107 N HA -0.110 4.631 4.740 0.001 0.000 0.181 107 N C 1.483 177.178 175.510 0.308 0.000 1.016 107 N CA 1.133 54.351 53.050 0.280 0.000 0.870 107 N CB -0.567 38.090 38.487 0.283 0.000 0.979 107 N HN 0.733 nan 8.380 nan 0.000 0.431 108 Y N 0.787 121.126 120.300 0.065 0.000 2.145 108 Y HA -0.247 4.304 4.550 0.001 0.000 0.286 108 Y C 1.808 177.608 175.900 -0.168 0.000 1.145 108 Y CA 1.619 59.666 58.100 -0.089 0.000 1.148 108 Y CB -0.511 37.777 38.460 -0.287 0.000 0.981 108 Y HN -0.031 nan 8.280 nan 0.000 0.507 109 Y N -1.700 118.722 120.300 0.203 0.000 2.293 109 Y HA -0.211 4.339 4.550 0.001 0.000 0.291 109 Y C 2.311 178.223 175.900 0.020 0.000 1.137 109 Y CA 1.555 59.687 58.100 0.054 0.000 1.202 109 Y CB -1.140 37.394 38.460 0.122 0.000 0.990 109 Y HN 0.301 nan 8.280 nan 0.000 0.537 110 Y N 0.143 120.467 120.300 0.039 0.000 2.242 110 Y HA -0.131 4.419 4.550 0.001 0.000 0.291 110 Y C 2.393 178.144 175.900 -0.248 0.000 1.137 110 Y CA 0.851 58.893 58.100 -0.097 0.000 1.181 110 Y CB -0.528 37.796 38.460 -0.227 0.000 0.989 110 Y HN 0.043 nan 8.280 nan 0.000 0.527 111 A N 0.371 123.113 122.820 -0.131 0.000 1.933 111 A HA -0.155 4.166 4.320 0.001 0.000 0.218 111 A C 2.266 179.719 177.584 -0.218 0.000 1.175 111 A CA 1.580 53.562 52.037 -0.091 0.000 0.628 111 A CB -0.429 18.690 19.000 0.198 0.000 0.814 111 A HN 0.295 nan 8.150 nan 0.000 0.444 112 K N -1.305 118.936 120.400 -0.265 0.000 2.026 112 K HA -0.206 4.115 4.320 0.001 0.000 0.208 112 K C 1.740 178.189 176.600 -0.251 0.000 1.048 112 K CA 1.532 57.658 56.287 -0.269 0.000 0.929 112 K CB -0.536 31.816 32.500 -0.246 0.000 0.713 112 K HN 0.783 nan 8.250 nan 0.000 0.439 113 W N 3.019 124.053 121.300 -0.444 0.000 2.355 113 W HA -0.129 4.532 4.660 0.001 0.000 0.309 113 W C 1.577 177.826 176.519 -0.450 0.000 1.206 113 W CA 1.285 58.326 57.345 -0.507 0.000 1.284 113 W CB -0.440 28.718 29.460 -0.504 0.000 1.145 113 W HN 0.087 nan 8.180 nan 0.000 0.502 114 N N -0.501 117.787 118.700 -0.686 0.000 2.364 114 N HA -0.120 4.621 4.740 0.001 0.000 0.183 114 N C 1.086 176.290 175.510 -0.510 0.000 1.022 114 N CA 1.931 54.487 53.050 -0.824 0.000 0.883 114 N CB -0.372 37.628 38.487 -0.811 0.000 0.965 114 N HN 0.302 nan 8.380 nan 0.000 0.438 115 T N -3.352 110.980 114.554 -0.370 0.000 3.243 115 T HA 0.414 4.765 4.350 0.001 0.000 0.264 115 T C 1.008 175.559 174.700 -0.249 0.000 1.000 115 T CA 0.083 62.040 62.100 -0.239 0.000 0.901 115 T CB 0.382 69.166 68.868 -0.139 0.000 1.083 115 T HN 0.173 nan 8.240 nan 0.000 0.559 116 G N 1.935 110.527 108.800 -0.346 0.000 2.153 116 G HA2 -0.232 3.728 3.960 0.001 0.000 0.252 116 G HA3 -0.232 3.728 3.960 0.001 0.000 0.252 116 G C 0.223 174.981 174.900 -0.236 0.000 0.994 116 G CA -0.098 44.829 45.100 -0.287 0.000 0.698 116 G HN 0.585 nan 8.290 nan 0.000 0.521 117 Q N 0.446 120.092 119.800 -0.257 0.000 2.819 117 Q HA 0.451 4.792 4.340 0.001 0.000 0.392 117 Q C 1.460 177.273 176.000 -0.311 0.000 1.088 117 Q CA 0.300 55.972 55.803 -0.219 0.000 1.062 117 Q CB 0.599 29.230 28.738 -0.179 0.000 1.369 117 Q HN 0.345 nan 8.270 nan 0.000 0.434 118 S N 0.990 116.469 115.700 -0.369 0.000 2.359 118 S HA -0.224 4.247 4.470 0.001 0.000 0.224 118 S C 1.716 175.765 174.600 -0.919 0.000 1.035 118 S CA 1.561 59.332 58.200 -0.715 0.000 1.018 118 S CB 0.130 63.113 63.200 -0.362 0.000 0.876 118 S HN 0.648 nan 8.310 nan 0.000 0.448 119 E N 0.943 120.912 120.200 -0.385 0.000 2.085 119 E HA -0.246 4.105 4.350 0.001 0.000 0.194 119 E C 2.115 178.627 176.600 -0.148 0.000 0.994 119 E CA 1.351 57.650 56.400 -0.169 0.000 0.801 119 E CB -0.122 29.558 29.700 -0.032 0.000 0.743 119 E HN 0.631 nan 8.360 nan 0.000 0.453 120 E N -0.354 119.757 120.200 -0.149 0.000 2.106 120 E HA -0.164 4.187 4.350 0.001 0.000 0.192 120 E C 1.930 178.498 176.600 -0.052 0.000 0.984 120 E CA 0.838 57.212 56.400 -0.043 0.000 0.806 120 E CB -0.122 29.585 29.700 0.011 0.000 0.750 120 E HN 0.342 nan 8.360 nan 0.000 0.458 121 A N 0.716 123.412 122.820 -0.206 0.000 1.902 121 A HA -0.176 4.145 4.320 0.001 0.000 0.217 121 A C 1.880 179.401 177.584 -0.105 0.000 1.181 121 A CA 1.365 53.302 52.037 -0.166 0.000 0.623 121 A CB -1.189 17.527 19.000 -0.474 0.000 0.818 121 A HN 0.559 nan 8.150 nan 0.000 0.443 122 W N -0.419 120.787 121.300 -0.156 0.000 2.402 122 W HA -0.125 4.535 4.660 0.001 0.000 0.286 122 W C 2.580 178.819 176.519 -0.467 0.000 1.221 122 W CA 0.614 57.729 57.345 -0.383 0.000 1.257 122 W CB -0.191 29.236 29.460 -0.055 0.000 1.120 122 W HN 0.415 nan 8.180 nan 0.000 0.551 123 Q N 0.356 120.110 119.800 -0.076 0.000 2.084 123 Q HA -0.115 4.225 4.340 0.001 0.000 0.202 123 Q C 2.617 178.413 176.000 -0.339 0.000 0.978 123 Q CA 1.637 57.358 55.803 -0.137 0.000 0.844 123 Q CB -0.796 27.905 28.738 -0.063 0.000 0.898 123 Q HN 0.389 nan 8.270 nan 0.000 0.426 124 G N 0.600 109.003 108.800 -0.662 0.000 2.402 124 G HA2 -0.202 3.759 3.960 0.001 0.000 0.216 124 G HA3 -0.202 3.759 3.960 0.001 0.000 0.216 124 G C 1.511 176.009 174.900 -0.671 0.000 1.162 124 G CA 0.759 45.096 45.100 -1.273 0.000 0.777 124 G HN 0.412 nan 8.290 nan 0.000 0.539 125 A N 0.839 123.343 122.820 -0.528 0.000 1.883 125 A HA -0.089 4.231 4.320 0.001 0.000 0.217 125 A C 2.215 179.478 177.584 -0.534 0.000 1.186 125 A CA 2.247 54.049 52.037 -0.391 0.000 0.624 125 A CB -0.490 18.145 19.000 -0.608 0.000 0.822 125 A HN 0.403 nan 8.150 nan 0.000 0.444 126 K N -0.391 119.522 120.400 -0.813 0.000 2.057 126 K HA -0.219 4.102 4.320 0.001 0.000 0.207 126 K C 2.087 178.665 176.600 -0.038 0.000 1.049 126 K CA 1.762 57.785 56.287 -0.440 0.000 0.931 126 K CB -0.171 32.219 32.500 -0.182 0.000 0.714 126 K HN 0.649 nan 8.250 nan 0.000 0.440 127 E N 0.410 120.566 120.200 -0.074 0.000 2.110 127 E HA -0.169 4.181 4.350 0.001 0.000 0.193 127 E C 1.965 178.619 176.600 0.089 0.000 0.988 127 E CA 0.920 57.327 56.400 0.012 0.000 0.804 127 E CB 0.024 29.707 29.700 -0.027 0.000 0.745 127 E HN 0.327 nan 8.360 nan 0.000 0.458 128 L N 0.204 121.509 121.223 0.135 0.000 2.217 128 L HA -0.090 4.251 4.340 0.001 0.000 0.211 128 L C 2.351 179.456 176.870 0.393 0.000 1.107 128 L CA 0.512 55.517 54.840 0.276 0.000 0.783 128 L CB -0.393 41.868 42.059 0.336 0.000 0.919 128 L HN 0.434 nan 8.230 nan 0.000 0.442 129 W N 0.961 122.309 121.300 0.080 0.000 2.453 129 W HA -0.047 4.614 4.660 0.001 0.000 0.289 129 W C 0.731 177.194 176.519 -0.093 0.000 1.215 129 W CA 0.448 57.685 57.345 -0.180 0.000 1.297 129 W CB 0.150 29.495 29.460 -0.191 0.000 1.113 129 W HN -0.027 nan 8.180 nan 0.000 0.551 130 L N 3.088 124.384 121.223 0.121 0.000 2.416 130 L HA 0.102 4.442 4.340 0.001 0.000 0.243 130 L C 0.151 176.990 176.870 -0.051 0.000 1.373 130 L CA 0.641 55.490 54.840 0.015 0.000 1.227 130 L CB -0.731 41.401 42.059 0.122 0.000 1.428 130 L HN -0.231 nan 8.230 nan 0.000 0.425 131 T N -0.907 113.552 114.554 -0.159 0.000 2.942 131 T HA 0.390 4.741 4.350 0.001 0.000 0.327 131 T C 0.871 175.458 174.700 -0.188 0.000 1.360 131 T CA -0.080 61.949 62.100 -0.118 0.000 1.055 131 T CB 1.655 70.491 68.868 -0.053 0.000 1.261 131 T HN 0.319 nan 8.240 nan 0.000 0.485 132 G N 2.087 110.807 108.800 -0.134 0.000 2.813 132 G HA2 0.119 4.080 3.960 0.001 0.000 0.209 132 G HA3 0.119 4.080 3.960 0.001 0.000 0.209 132 G C 0.544 175.374 174.900 -0.118 0.000 1.150 132 G CA 0.171 45.186 45.100 -0.142 0.000 0.785 132 G HN 0.734 nan 8.290 nan 0.000 0.535 133 K N 1.073 121.420 120.400 -0.088 0.000 2.202 133 K HA 0.288 4.608 4.320 0.001 0.000 0.264 133 K C -0.380 176.188 176.600 -0.053 0.000 1.010 133 K CA -0.381 55.873 56.287 -0.055 0.000 0.940 133 K CB 0.535 33.020 32.500 -0.025 0.000 0.983 133 K HN -0.017 nan 8.250 nan 0.000 0.475 134 S N 3.337 119.020 115.700 -0.030 0.000 2.505 134 S HA 0.082 4.553 4.470 0.001 0.000 0.276 134 S C -0.290 174.330 174.600 0.033 0.000 1.274 134 S CA -0.706 57.491 58.200 -0.006 0.000 1.053 134 S CB 0.958 64.157 63.200 -0.002 0.000 0.919 134 S HN 0.464 nan 8.310 nan 0.000 0.490 135 Q N 2.113 121.961 119.800 0.080 0.000 2.199 135 Q HA 0.396 4.736 4.340 0.001 0.000 0.232 135 Q C -2.189 173.860 176.000 0.082 0.000 0.969 135 Q CA -2.097 53.773 55.803 0.111 0.000 0.925 135 Q CB -0.323 28.549 28.738 0.222 0.000 1.198 135 Q HN 0.369 nan 8.270 nan 0.000 0.494 136 P HA -0.046 nan 4.420 nan 0.000 0.266 136 P C 0.654 177.964 177.300 0.015 0.000 1.193 136 P CA 0.168 63.288 63.100 0.034 0.000 0.770 136 P CB 0.447 32.165 31.700 0.030 0.000 0.836 137 N N 1.925 120.633 118.700 0.014 0.000 2.272 137 N HA -0.225 4.515 4.740 0.001 0.000 0.185 137 N C 1.406 176.896 175.510 -0.034 0.000 1.014 137 N CA 1.159 54.212 53.050 0.005 0.000 0.870 137 N CB -0.079 38.414 38.487 0.011 0.000 0.975 137 N HN 0.445 nan 8.380 nan 0.000 0.433 138 A N 0.335 123.133 122.820 -0.037 0.000 2.024 138 A HA -0.141 4.179 4.320 0.001 0.000 0.220 138 A C 2.542 180.031 177.584 -0.158 0.000 1.164 138 A CA 1.023 53.020 52.037 -0.066 0.000 0.643 138 A CB -0.908 18.085 19.000 -0.011 0.000 0.806 138 A HN 0.583 nan 8.150 nan 0.000 0.451 139 c N -0.406 118.069 118.600 -0.209 0.000 2.481 139 c HA -0.013 4.557 4.570 0.001 0.000 0.275 139 c C 2.080 175.818 174.090 -0.587 0.000 1.419 139 c CA 0.559 56.586 56.329 -0.504 0.000 1.773 139 c CB -1.191 40.905 42.510 -0.690 0.000 1.862 139 c HN 0.590 nan 8.230 nan 0.000 0.530 140 D N 1.674 121.939 120.400 -0.224 0.000 2.104 140 D HA -0.171 4.470 4.640 0.001 0.000 0.194 140 D C 2.160 178.423 176.300 -0.063 0.000 0.994 140 D CA 1.385 55.367 54.000 -0.031 0.000 0.830 140 D CB -0.415 40.405 40.800 0.034 0.000 0.959 140 D HN 0.678 nan 8.370 nan 0.000 0.452 141 K N 0.458 120.741 120.400 -0.194 0.000 2.147 141 K HA -0.117 4.204 4.320 0.001 0.000 0.205 141 K C 2.161 178.656 176.600 -0.174 0.000 1.049 141 K CA 0.763 56.892 56.287 -0.263 0.000 0.936 141 K CB -0.389 31.754 32.500 -0.595 0.000 0.722 141 K HN 0.095 nan 8.250 nan 0.000 0.446 142 L N 0.797 121.914 121.223 -0.176 0.000 2.044 142 L HA -0.010 4.331 4.340 0.001 0.000 0.205 142 L C 2.006 178.992 176.870 0.193 0.000 1.075 142 L CA 1.499 56.375 54.840 0.060 0.000 0.747 142 L CB -0.485 41.557 42.059 -0.028 0.000 0.903 142 L HN 0.029 nan 8.230 nan 0.000 0.435 143 F N -0.294 119.764 119.950 0.179 0.000 2.216 143 F HA -0.106 4.422 4.527 0.001 0.000 0.300 143 F C 2.674 178.509 175.800 0.058 0.000 1.085 143 F CA 1.089 59.230 58.000 0.234 0.000 1.326 143 F CB -1.555 37.649 39.000 0.340 0.000 1.027 143 F HN 0.078 nan 8.300 nan 0.000 0.497 144 S N 0.258 116.071 115.700 0.190 0.000 2.348 144 S HA -0.139 4.331 4.470 0.001 0.000 0.221 144 S C 2.433 176.983 174.600 -0.083 0.000 1.033 144 S CA 1.592 59.815 58.200 0.038 0.000 1.010 144 S CB -0.691 62.523 63.200 0.024 0.000 0.891 144 S HN 0.309 nan 8.310 nan 0.000 0.442 145 V N -0.951 118.879 119.914 -0.140 0.000 2.515 145 V HA -0.075 4.046 4.120 0.001 0.000 0.250 145 V C 1.874 177.719 176.094 -0.415 0.000 1.058 145 V CA 1.417 63.512 62.300 -0.343 0.000 1.064 145 V CB -1.132 30.147 31.823 -0.908 0.000 0.675 145 V HN 0.654 nan 8.190 nan 0.000 0.461 146 W N 2.032 122.933 121.300 -0.666 0.000 2.355 146 W HA -0.118 4.543 4.660 0.001 0.000 0.309 146 W C 2.760 178.749 176.519 -0.882 0.000 1.206 146 W CA 2.269 58.863 57.345 -1.251 0.000 1.284 146 W CB -0.469 28.607 29.460 -0.640 0.000 1.145 146 W HN 0.233 nan 8.180 nan 0.000 0.502 147 R N 0.328 120.460 120.500 -0.613 0.000 2.092 147 R HA -0.102 4.239 4.340 0.001 0.000 0.231 147 R C 2.252 178.289 176.300 -0.439 0.000 1.119 147 R CA 1.818 57.529 56.100 -0.647 0.000 0.970 147 R CB -0.736 29.291 30.300 -0.455 0.000 0.864 147 R HN 0.127 nan 8.270 nan 0.000 0.440 148 A N 0.396 123.030 122.820 -0.311 0.000 2.070 148 A HA -0.138 4.183 4.320 0.001 0.000 0.220 148 A C 2.052 179.543 177.584 -0.155 0.000 1.159 148 A CA 1.636 53.560 52.037 -0.189 0.000 0.656 148 A CB -0.483 18.451 19.000 -0.110 0.000 0.800 148 A HN 0.595 nan 8.150 nan 0.000 0.453 149 S N -1.823 113.737 115.700 -0.234 0.000 2.453 149 S HA 0.294 4.765 4.470 0.001 0.000 0.231 149 S C 1.600 176.128 174.600 -0.121 0.000 1.005 149 S CA 1.280 59.423 58.200 -0.094 0.000 0.949 149 S CB -0.417 62.718 63.200 -0.107 0.000 0.774 149 S HN 1.899 nan 8.310 nan 0.000 0.510 150 G N 1.254 109.905 108.800 -0.248 0.000 2.176 150 G HA2 -0.221 3.740 3.960 0.001 0.000 0.253 150 G HA3 -0.221 3.740 3.960 0.001 0.000 0.253 150 G C 0.768 175.531 174.900 -0.230 0.000 0.979 150 G CA 0.382 45.355 45.100 -0.212 0.000 0.641 150 G HN 0.458 nan 8.290 nan 0.000 0.530 151 K N 0.211 120.426 120.400 -0.309 0.000 2.404 151 K HA 0.146 4.466 4.320 0.001 0.000 0.194 151 K C 1.086 177.503 176.600 -0.305 0.000 1.023 151 K CA 0.120 56.281 56.287 -0.210 0.000 1.094 151 K CB 0.389 32.840 32.500 -0.082 0.000 0.841 151 K HN 0.669 nan 8.250 nan 0.000 0.523 152 Q N 2.454 121.832 119.800 -0.704 0.000 2.323 152 Q HA -0.001 4.339 4.340 0.001 0.000 0.257 152 Q C -0.787 174.905 176.000 -0.513 0.000 1.022 152 Q CA -0.235 54.959 55.803 -1.015 0.000 0.919 152 Q CB 0.593 28.297 28.738 -1.724 0.000 1.220 152 Q HN -0.030 nan 8.270 nan 0.000 0.427 153 D N 6.501 126.745 120.400 -0.261 0.000 2.434 153 D HA -0.016 4.624 4.640 0.001 0.000 0.252 153 D C -1.501 174.736 176.300 -0.105 0.000 1.185 153 D CA -1.711 52.219 54.000 -0.116 0.000 0.886 153 D CB 1.318 42.118 40.800 0.000 0.000 1.148 153 D HN 0.421 nan 8.370 nan 0.000 0.483 154 P HA -0.152 nan 4.420 nan 0.000 0.219 154 P C 1.832 179.278 177.300 0.244 0.000 1.146 154 P CA 0.765 63.898 63.100 0.056 0.000 0.808 154 P CB 0.311 31.976 31.700 -0.057 0.000 0.779 155 L N -0.708 120.608 121.223 0.156 0.000 2.131 155 L HA -0.117 4.223 4.340 0.001 0.000 0.210 155 L C 2.690 179.620 176.870 0.100 0.000 1.092 155 L CA 1.364 56.266 54.840 0.103 0.000 0.759 155 L CB -0.967 41.137 42.059 0.075 0.000 0.903 155 L HN -0.031 nan 8.230 nan 0.000 0.435 156 A N -1.023 121.874 122.820 0.128 0.000 1.968 156 A HA -0.244 4.077 4.320 0.001 0.000 0.217 156 A C 2.116 179.920 177.584 0.366 0.000 1.169 156 A CA 1.030 53.196 52.037 0.214 0.000 0.638 156 A CB -0.633 18.481 19.000 0.189 0.000 0.812 156 A HN 0.416 nan 8.150 nan 0.000 0.446 157 Y N -0.361 120.031 120.300 0.152 0.000 2.163 157 Y HA -0.130 4.421 4.550 0.001 0.000 0.288 157 Y C 2.030 178.034 175.900 0.173 0.000 1.136 157 Y CA 1.828 60.092 58.100 0.274 0.000 1.147 157 Y CB -0.248 38.255 38.460 0.071 0.000 0.987 157 Y HN 0.244 nan 8.280 nan 0.000 0.509 158 L N 0.637 121.966 121.223 0.177 0.000 2.083 158 L HA -0.151 4.189 4.340 0.001 0.000 0.209 158 L C 2.267 179.095 176.870 -0.069 0.000 1.083 158 L CA 2.137 56.870 54.840 -0.178 0.000 0.752 158 L CB -0.827 40.780 42.059 -0.754 0.000 0.899 158 L HN 0.312 nan 8.230 nan 0.000 0.433 159 E N -0.209 120.003 120.200 0.021 0.000 2.110 159 E HA -0.267 4.084 4.350 0.001 0.000 0.193 159 E C 2.414 179.022 176.600 0.013 0.000 0.988 159 E CA 1.406 57.845 56.400 0.066 0.000 0.804 159 E CB -0.235 29.520 29.700 0.092 0.000 0.745 159 E HN 0.401 nan 8.360 nan 0.000 0.458 160 R N -0.105 120.354 120.500 -0.070 0.000 2.115 160 R HA -0.029 4.312 4.340 0.001 0.000 0.230 160 R C 2.332 178.492 176.300 -0.233 0.000 1.111 160 R CA 1.347 57.253 56.100 -0.322 0.000 0.976 160 R CB -0.261 29.502 30.300 -0.896 0.000 0.870 160 R HN 0.296 nan 8.270 nan 0.000 0.445 161 I N 0.161 120.666 120.570 -0.108 0.000 2.226 161 I HA -0.292 3.878 4.170 0.001 0.000 0.245 161 I C 2.743 178.902 176.117 0.069 0.000 1.100 161 I CA 1.223 62.528 61.300 0.008 0.000 1.374 161 I CB -0.327 37.772 38.000 0.164 0.000 1.057 161 I HN 0.252 nan 8.210 nan 0.000 0.413 162 R N 1.253 121.858 120.500 0.175 0.000 2.073 162 R HA -0.162 4.179 4.340 0.001 0.000 0.234 162 R C 2.359 178.651 176.300 -0.014 0.000 1.134 162 R CA 1.432 57.588 56.100 0.094 0.000 0.952 162 R CB -0.182 30.228 30.300 0.183 0.000 0.850 162 R HN 0.310 nan 8.270 nan 0.000 0.433 163 L N 0.125 121.328 121.223 -0.033 0.000 2.046 163 L HA -0.122 4.219 4.340 0.001 0.000 0.208 163 L C 2.714 179.529 176.870 -0.092 0.000 1.077 163 L CA 1.278 56.077 54.840 -0.068 0.000 0.747 163 L CB -0.522 41.482 42.059 -0.092 0.000 0.896 163 L HN 0.318 nan 8.230 nan 0.000 0.432 164 A N -0.474 122.276 122.820 -0.118 0.000 1.902 164 A HA -0.264 4.057 4.320 0.001 0.000 0.217 164 A C 2.234 179.763 177.584 -0.092 0.000 1.181 164 A CA 1.918 53.884 52.037 -0.119 0.000 0.623 164 A CB -0.456 18.456 19.000 -0.145 0.000 0.818 164 A HN 0.348 nan 8.150 nan 0.000 0.443 165 M N 0.046 119.594 119.600 -0.087 0.000 2.086 165 M HA -0.101 4.379 4.480 0.001 0.000 0.261 165 M C 1.806 178.051 176.300 -0.093 0.000 1.067 165 M CA 1.926 57.168 55.300 -0.098 0.000 1.116 165 M CB -0.414 32.110 32.600 -0.126 0.000 1.348 165 M HN 0.348 nan 8.290 nan 0.000 0.407 166 K N -0.502 119.848 120.400 -0.083 0.000 2.147 166 K HA -0.023 4.298 4.320 0.001 0.000 0.205 166 K C 1.732 178.292 176.600 -0.067 0.000 1.049 166 K CA 1.279 57.524 56.287 -0.071 0.000 0.936 166 K CB -0.351 32.115 32.500 -0.057 0.000 0.722 166 K HN 0.454 nan 8.250 nan 0.000 0.446 167 A N 0.197 122.976 122.820 -0.069 0.000 2.206 167 A HA 0.155 4.476 4.320 0.001 0.000 0.211 167 A C 1.459 179.003 177.584 -0.066 0.000 1.158 167 A CA 0.894 52.892 52.037 -0.065 0.000 0.761 167 A CB -0.361 18.601 19.000 -0.065 0.000 0.801 167 A HN 0.416 nan 8.150 nan 0.000 0.473 168 G N -0.481 108.276 108.800 -0.071 0.000 2.143 168 G HA2 -0.273 3.687 3.960 0.001 0.000 0.249 168 G HA3 -0.273 3.687 3.960 0.001 0.000 0.249 168 G C 0.240 175.101 174.900 -0.065 0.000 0.981 168 G CA 0.300 45.358 45.100 -0.070 0.000 0.665 168 G HN 0.533 nan 8.290 nan 0.000 0.528 169 N N 1.586 120.246 118.700 -0.067 0.000 3.245 169 N HA 0.236 4.977 4.740 0.001 0.000 0.296 169 N C 1.960 177.432 175.510 -0.063 0.000 1.254 169 N CA 0.809 53.821 53.050 -0.063 0.000 1.190 169 N CB -0.053 38.391 38.487 -0.071 0.000 1.460 169 N HN 0.488 nan 8.380 nan 0.000 0.538 170 T N -2.776 111.744 114.554 -0.058 0.000 2.915 170 T HA -0.055 4.296 4.350 0.001 0.000 0.269 170 T C 1.921 176.598 174.700 -0.039 0.000 1.071 170 T CA 1.047 63.114 62.100 -0.054 0.000 1.132 170 T CB -0.295 68.540 68.868 -0.055 0.000 0.878 170 T HN 0.249 nan 8.240 nan 0.000 0.479 171 G N 1.554 110.333 108.800 -0.034 0.000 2.418 171 G HA2 -0.079 3.882 3.960 0.001 0.000 0.217 171 G HA3 -0.079 3.882 3.960 0.001 0.000 0.217 171 G C 1.416 176.303 174.900 -0.022 0.000 1.158 171 G CA 0.889 45.976 45.100 -0.021 0.000 0.771 171 G HN 0.474 nan 8.290 nan 0.000 0.545 172 L N 0.880 122.079 121.223 -0.040 0.000 2.093 172 L HA 0.054 4.395 4.340 0.001 0.000 0.208 172 L C 2.889 179.724 176.870 -0.059 0.000 1.085 172 L CA 1.252 56.056 54.840 -0.060 0.000 0.755 172 L CB -0.517 41.482 42.059 -0.100 0.000 0.904 172 L HN 0.074 nan 8.230 nan 0.000 0.435 173 V N -0.537 119.345 119.914 -0.053 0.000 2.287 173 V HA -0.344 3.776 4.120 0.001 0.000 0.248 173 V C 2.498 178.601 176.094 0.015 0.000 1.053 173 V CA 2.357 64.640 62.300 -0.027 0.000 1.027 173 V CB -1.107 30.696 31.823 -0.034 0.000 0.646 173 V HN 0.546 nan 8.190 nan 0.000 0.447 174 T N -0.315 114.246 114.554 0.011 0.000 2.777 174 T HA -0.145 4.206 4.350 0.001 0.000 0.266 174 T C 1.938 176.668 174.700 0.051 0.000 1.040 174 T CA 1.592 63.712 62.100 0.032 0.000 1.141 174 T CB -0.166 68.713 68.868 0.018 0.000 0.868 174 T HN 0.269 nan 8.240 nan 0.000 0.444 175 V N 1.525 121.463 119.914 0.039 0.000 2.343 175 V HA -0.122 3.999 4.120 0.001 0.000 0.247 175 V C 2.468 178.625 176.094 0.105 0.000 1.051 175 V CA 1.487 63.824 62.300 0.061 0.000 1.036 175 V CB -0.628 31.223 31.823 0.047 0.000 0.654 175 V HN 0.437 nan 8.190 nan 0.000 0.451 176 L N -0.003 121.273 121.223 0.087 0.000 2.017 176 L HA -0.143 4.198 4.340 0.001 0.000 0.208 176 L C 2.701 179.759 176.870 0.313 0.000 1.073 176 L CA 1.651 56.592 54.840 0.169 0.000 0.745 176 L CB -0.791 41.240 42.059 -0.046 0.000 0.894 176 L HN 0.359 nan 8.230 nan 0.000 0.432 177 A N 0.165 123.108 122.820 0.205 0.000 1.969 177 A HA -0.082 4.239 4.320 0.001 0.000 0.218 177 A C 2.348 180.020 177.584 0.146 0.000 1.169 177 A CA 1.478 53.633 52.037 0.196 0.000 0.635 177 A CB -1.061 18.034 19.000 0.158 0.000 0.810 177 A HN 0.453 nan 8.150 nan 0.000 0.445 178 G N -1.768 107.105 108.800 0.122 0.000 2.471 178 G HA2 -0.086 3.874 3.960 0.001 0.000 0.219 178 G HA3 -0.086 3.874 3.960 0.001 0.000 0.219 178 G C 1.215 176.164 174.900 0.083 0.000 1.125 178 G CA 0.613 45.767 45.100 0.089 0.000 0.775 178 G HN 0.433 nan 8.290 nan 0.000 0.548 179 Q N -0.365 119.510 119.800 0.125 0.000 2.186 179 Q HA 0.317 4.657 4.340 0.001 0.000 0.241 179 Q C 0.259 176.258 176.000 -0.002 0.000 0.849 179 Q CA -0.563 55.294 55.803 0.089 0.000 1.053 179 Q CB 0.546 29.377 28.738 0.156 0.000 1.146 179 Q HN 0.403 nan 8.270 nan 0.000 0.475 180 M N 2.309 121.910 119.600 0.002 0.000 2.261 180 M HA 0.056 4.537 4.480 0.001 0.000 0.350 180 M C -2.228 173.908 176.300 -0.274 0.000 1.343 180 M CA -1.056 54.170 55.300 -0.124 0.000 1.003 180 M CB 0.387 33.004 32.600 0.029 0.000 1.848 180 M HN -0.133 nan 8.290 nan 0.000 0.456 181 P HA 0.121 nan 4.420 nan 0.000 0.269 181 P C -0.308 176.811 177.300 -0.302 0.000 1.215 181 P CA 0.073 62.924 63.100 -0.415 0.000 0.780 181 P CB 0.502 31.904 31.700 -0.498 0.000 0.898 182 A N 2.189 124.848 122.820 -0.268 0.000 1.986 182 A HA -0.253 4.068 4.320 0.001 0.000 0.220 182 A C 1.545 178.959 177.584 -0.282 0.000 1.171 182 A CA 2.221 54.126 52.037 -0.220 0.000 0.640 182 A CB -1.470 17.421 19.000 -0.182 0.000 0.811 182 A HN 0.577 nan 8.150 nan 0.000 0.451 183 D N -1.404 118.718 120.400 -0.463 0.000 2.133 183 D HA -0.183 4.458 4.640 0.001 0.000 0.195 183 D C 0.657 176.563 176.300 -0.656 0.000 0.997 183 D CA 1.760 55.344 54.000 -0.692 0.000 0.840 183 D CB -0.288 39.779 40.800 -1.221 0.000 0.947 183 D HN 0.718 nan 8.370 nan 0.000 0.452 184 Y N -0.036 120.195 120.300 -0.114 0.000 2.660 184 Y HA 0.256 4.806 4.550 0.001 0.000 0.254 184 Y C 1.748 177.615 175.900 -0.055 0.000 1.176 184 Y CA -0.557 57.490 58.100 -0.088 0.000 1.195 184 Y CB -0.229 38.163 38.460 -0.113 0.000 1.190 184 Y HN -0.150 nan 8.280 nan 0.000 0.535 185 Q N 0.747 120.549 119.800 0.004 0.000 2.181 185 Q HA -0.153 4.188 4.340 0.001 0.000 0.205 185 Q C 1.184 177.204 176.000 0.034 0.000 0.980 185 Q CA 2.090 57.897 55.803 0.007 0.000 0.862 185 Q CB -0.096 28.618 28.738 -0.039 0.000 0.905 185 Q HN 0.449 nan 8.270 nan 0.000 0.429 186 T N 1.517 116.089 114.554 0.029 0.000 2.881 186 T HA -0.102 4.249 4.350 0.001 0.000 0.270 186 T C 1.692 176.421 174.700 0.049 0.000 1.068 186 T CA 1.409 63.526 62.100 0.029 0.000 1.131 186 T CB -0.215 68.663 68.868 0.016 0.000 0.871 186 T HN 0.616 nan 8.240 nan 0.000 0.479 187 I N -1.743 118.879 120.570 0.085 0.000 4.018 187 I HA 0.546 4.717 4.170 0.001 0.000 0.337 187 I C 2.233 178.448 176.117 0.164 0.000 1.327 187 I CA -0.238 61.128 61.300 0.110 0.000 1.100 187 I CB -0.266 37.812 38.000 0.131 0.000 1.025 187 I HN -0.012 nan 8.210 nan 0.000 0.396 188 A N 1.808 124.710 122.820 0.136 0.000 1.865 188 A HA -0.165 4.155 4.320 0.001 0.000 0.217 188 A C 2.476 180.141 177.584 0.135 0.000 1.191 188 A CA 2.473 54.595 52.037 0.141 0.000 0.623 188 A CB -0.923 18.138 19.000 0.101 0.000 0.826 188 A HN 0.497 nan 8.150 nan 0.000 0.444 189 S N -0.184 115.579 115.700 0.105 0.000 2.370 189 S HA -0.063 4.408 4.470 0.001 0.000 0.226 189 S C 2.287 176.964 174.600 0.128 0.000 1.033 189 S CA 1.250 59.507 58.200 0.095 0.000 1.011 189 S CB -0.510 62.731 63.200 0.069 0.000 0.852 189 S HN 0.820 nan 8.310 nan 0.000 0.457 190 A N 1.320 124.241 122.820 0.168 0.000 1.902 190 A HA -0.036 4.284 4.320 0.001 0.000 0.217 190 A C 2.071 179.874 177.584 0.366 0.000 1.181 190 A CA 1.165 53.364 52.037 0.270 0.000 0.623 190 A CB -0.667 18.476 19.000 0.237 0.000 0.818 190 A HN 0.486 nan 8.150 nan 0.000 0.443 191 I N -0.423 120.352 120.570 0.341 0.000 2.252 191 I HA -0.245 3.926 4.170 0.001 0.000 0.245 191 I C 2.269 178.440 176.117 0.090 0.000 1.102 191 I CA 1.268 62.708 61.300 0.233 0.000 1.385 191 I CB -0.300 37.863 38.000 0.271 0.000 1.064 191 I HN 0.294 nan 8.210 nan 0.000 0.414 192 I N 0.056 120.687 120.570 0.102 0.000 2.226 192 I HA -0.285 3.885 4.170 0.001 0.000 0.245 192 I C 2.570 178.709 176.117 0.037 0.000 1.100 192 I CA 1.262 62.598 61.300 0.060 0.000 1.374 192 I CB -0.309 37.730 38.000 0.065 0.000 1.057 192 I HN 0.141 nan 8.210 nan 0.000 0.413 193 S N 0.634 116.369 115.700 0.059 0.000 2.382 193 S HA -0.146 4.325 4.470 0.001 0.000 0.228 193 S C 1.891 176.492 174.600 0.002 0.000 1.027 193 S CA 1.089 59.315 58.200 0.043 0.000 0.991 193 S CB -0.293 62.953 63.200 0.077 0.000 0.823 193 S HN 0.284 nan 8.310 nan 0.000 0.469 194 L N 1.649 122.849 121.223 -0.039 0.000 2.056 194 L HA 0.076 4.416 4.340 0.001 0.000 0.207 194 L C 2.346 179.134 176.870 -0.137 0.000 1.078 194 L CA 1.668 56.410 54.840 -0.164 0.000 0.749 194 L CB -0.831 40.951 42.059 -0.462 0.000 0.901 194 L HN 0.253 nan 8.230 nan 0.000 0.433 195 A N -0.735 122.024 122.820 -0.101 0.000 1.969 195 A HA -0.227 4.094 4.320 0.001 0.000 0.218 195 A C 2.135 179.688 177.584 -0.053 0.000 1.169 195 A CA 1.734 53.724 52.037 -0.078 0.000 0.635 195 A CB -0.862 18.108 19.000 -0.050 0.000 0.810 195 A HN 0.598 nan 8.150 nan 0.000 0.445 196 N N -0.415 118.264 118.700 -0.035 0.000 2.171 196 N HA -0.088 4.653 4.740 0.001 0.000 0.184 196 N C -0.007 175.485 175.510 -0.029 0.000 1.021 196 N CA 1.344 54.380 53.050 -0.023 0.000 0.854 196 N CB -0.011 38.471 38.487 -0.007 0.000 0.994 196 N HN 0.394 nan 8.380 nan 0.000 0.426 197 N N -1.056 117.624 118.700 -0.034 0.000 2.571 197 N HA 0.240 4.981 4.740 0.001 0.000 0.286 197 N C -2.554 172.928 175.510 -0.046 0.000 1.138 197 N CA -1.754 51.275 53.050 -0.035 0.000 0.859 197 N CB 1.730 40.205 38.487 -0.019 0.000 1.414 197 N HN -0.072 nan 8.380 nan 0.000 0.529 198 P HA -0.068 nan 4.420 nan 0.000 0.228 198 P C 0.236 177.509 177.300 -0.045 0.000 1.151 198 P CA 0.768 63.824 63.100 -0.072 0.000 0.770 198 P CB 0.416 32.069 31.700 -0.079 0.000 0.786 199 N N -0.044 118.636 118.700 -0.033 0.000 2.550 199 N HA -0.044 4.697 4.740 0.001 0.000 0.186 199 N C 1.309 176.825 175.510 0.010 0.000 1.110 199 N CA 1.336 54.377 53.050 -0.016 0.000 0.912 199 N CB -0.439 38.036 38.487 -0.020 0.000 0.968 199 N HN 0.344 nan 8.380 nan 0.000 0.448 200 T N -2.783 111.779 114.554 0.013 0.000 3.169 200 T HA 0.082 4.432 4.350 0.001 0.000 0.250 200 T C 1.779 176.533 174.700 0.090 0.000 1.111 200 T CA -0.104 62.026 62.100 0.049 0.000 1.010 200 T CB -0.118 68.783 68.868 0.054 0.000 0.984 200 T HN -0.126 nan 8.240 nan 0.000 0.537 201 V N 1.134 121.087 119.914 0.065 0.000 2.324 201 V HA -0.116 4.005 4.120 0.001 0.000 0.250 201 V C 2.233 178.436 176.094 0.181 0.000 1.060 201 V CA 1.816 64.181 62.300 0.108 0.000 1.042 201 V CB -0.531 31.344 31.823 0.087 0.000 0.650 201 V HN 0.560 nan 8.190 nan 0.000 0.450 202 L N -0.158 121.146 121.223 0.134 0.000 2.093 202 L HA -0.072 4.269 4.340 0.001 0.000 0.208 202 L C 2.499 179.433 176.870 0.107 0.000 1.085 202 L CA 2.722 57.631 54.840 0.115 0.000 0.755 202 L CB -0.980 41.130 42.059 0.085 0.000 0.904 202 L HN 0.397 nan 8.230 nan 0.000 0.435 203 T N -0.681 113.939 114.554 0.110 0.000 2.777 203 T HA -0.211 4.140 4.350 0.001 0.000 0.266 203 T C 1.639 176.410 174.700 0.118 0.000 1.040 203 T CA 1.769 63.925 62.100 0.093 0.000 1.141 203 T CB -0.544 68.376 68.868 0.085 0.000 0.868 203 T HN 0.391 nan 8.240 nan 0.000 0.444 204 F N 2.298 122.259 119.950 0.018 0.000 2.095 204 F HA -0.083 4.444 4.527 0.001 0.000 0.298 204 F C 2.442 178.251 175.800 0.015 0.000 1.104 204 F CA 1.238 59.248 58.000 0.017 0.000 1.232 204 F CB -0.575 38.432 39.000 0.011 0.000 0.987 204 F HN 0.142 nan 8.300 nan 0.000 0.475 205 A N 0.419 123.332 122.820 0.154 0.000 1.933 205 A HA -0.157 4.164 4.320 0.001 0.000 0.218 205 A C 2.282 179.839 177.584 -0.045 0.000 1.175 205 A CA 1.699 53.759 52.037 0.039 0.000 0.628 205 A CB -0.617 18.447 19.000 0.107 0.000 0.814 205 A HN 0.502 nan 8.150 nan 0.000 0.444 206 R N -0.859 119.630 120.500 -0.018 0.000 2.127 206 R HA -0.025 4.316 4.340 0.001 0.000 0.217 206 R C 2.048 178.318 176.300 -0.051 0.000 1.074 206 R CA 1.489 57.575 56.100 -0.024 0.000 0.991 206 R CB -0.295 30.006 30.300 0.002 0.000 0.895 206 R HN 0.682 nan 8.270 nan 0.000 0.450 207 T N -2.117 112.392 114.554 -0.075 0.000 3.081 207 T HA 0.026 4.376 4.350 0.001 0.000 0.250 207 T C 0.847 175.468 174.700 -0.132 0.000 1.100 207 T CA 0.187 62.239 62.100 -0.080 0.000 1.038 207 T CB 0.064 68.903 68.868 -0.048 0.000 0.962 207 T HN 0.164 nan 8.240 nan 0.000 0.516 208 T N -1.098 113.322 114.554 -0.222 0.000 2.932 208 T HA 0.701 5.052 4.350 0.001 0.000 0.289 208 T C 0.414 175.020 174.700 -0.158 0.000 1.039 208 T CA -0.635 61.318 62.100 -0.245 0.000 1.024 208 T CB 1.538 70.100 68.868 -0.508 0.000 1.090 208 T HN 0.234 nan 8.240 nan 0.000 0.496 209 G N 0.461 109.205 108.800 -0.093 0.000 2.378 209 G HA2 0.503 4.463 3.960 0.001 0.000 0.255 209 G HA3 0.503 4.463 3.960 0.001 0.000 0.255 209 G C 0.291 175.169 174.900 -0.037 0.000 1.270 209 G CA -0.511 44.561 45.100 -0.047 0.000 0.876 209 G HN 1.172 nan 8.290 nan 0.000 0.521 210 A N 2.760 125.565 122.820 -0.025 0.000 2.444 210 A HA 0.627 4.948 4.320 0.001 0.000 0.273 210 A C 0.921 178.518 177.584 0.022 0.000 1.136 210 A CA 0.461 52.495 52.037 -0.006 0.000 0.799 210 A CB -0.107 18.889 19.000 -0.006 0.000 1.081 210 A HN 1.381 nan 8.150 nan 0.000 0.509 211 T N -1.206 113.377 114.554 0.048 0.000 2.812 211 T HA 0.417 4.768 4.350 0.001 0.000 0.294 211 T C 0.455 175.205 174.700 0.083 0.000 1.159 211 T CA 0.115 62.259 62.100 0.072 0.000 1.008 211 T CB 1.141 70.073 68.868 0.108 0.000 1.289 211 T HN 0.324 nan 8.240 nan 0.000 0.514 212 D N -0.625 119.828 120.400 0.089 0.000 2.149 212 D HA -0.089 4.552 4.640 0.001 0.000 0.198 212 D C 1.444 177.807 176.300 0.105 0.000 0.990 212 D CA 1.357 55.405 54.000 0.080 0.000 0.839 212 D CB -0.258 40.589 40.800 0.078 0.000 0.948 212 D HN 0.462 nan 8.370 nan 0.000 0.460 213 F N 0.877 120.834 119.950 0.011 0.000 2.060 213 F HA -0.151 4.376 4.527 0.001 0.000 0.295 213 F C 2.546 178.390 175.800 0.072 0.000 1.120 213 F CA 2.460 60.470 58.000 0.017 0.000 1.205 213 F CB -1.063 37.924 39.000 -0.021 0.000 0.986 213 F HN 0.063 nan 8.300 nan 0.000 0.470 214 T N -1.486 113.101 114.554 0.055 0.000 2.915 214 T HA -0.125 4.225 4.350 0.001 0.000 0.269 214 T C 2.057 176.800 174.700 0.072 0.000 1.071 214 T CA 1.229 63.365 62.100 0.060 0.000 1.132 214 T CB -0.538 68.370 68.868 0.067 0.000 0.878 214 T HN 0.327 nan 8.240 nan 0.000 0.479 215 R N 0.873 121.383 120.500 0.016 0.000 2.073 215 R HA 0.056 4.397 4.340 0.001 0.000 0.229 215 R C 2.987 179.263 176.300 -0.039 0.000 1.120 215 R CA 1.407 57.510 56.100 0.005 0.000 0.967 215 R CB -0.245 30.056 30.300 0.002 0.000 0.862 215 R HN 0.535 nan 8.270 nan 0.000 0.436 216 Q N -0.267 119.483 119.800 -0.083 0.000 2.119 216 Q HA -0.092 4.249 4.340 0.001 0.000 0.201 216 Q C 2.144 178.041 176.000 -0.171 0.000 0.972 216 Q CA 1.049 56.786 55.803 -0.109 0.000 0.847 216 Q CB 0.054 28.731 28.738 -0.101 0.000 0.903 216 Q HN 0.270 nan 8.270 nan 0.000 0.433 217 M N 0.035 119.459 119.600 -0.293 0.000 2.086 217 M HA -0.116 4.364 4.480 0.001 0.000 0.261 217 M C 2.313 178.450 176.300 -0.272 0.000 1.067 217 M CA 1.424 56.506 55.300 -0.363 0.000 1.116 217 M CB -1.082 31.194 32.600 -0.540 0.000 1.348 217 M HN 0.206 nan 8.290 nan 0.000 0.407 218 A N 0.073 122.818 122.820 -0.125 0.000 1.930 218 A HA 0.045 4.366 4.320 0.001 0.000 0.217 218 A C 2.402 179.985 177.584 -0.002 0.000 1.175 218 A CA 1.874 53.885 52.037 -0.044 0.000 0.627 218 A CB -0.801 18.277 19.000 0.131 0.000 0.815 218 A HN 0.485 nan 8.150 nan 0.000 0.443 219 A N -0.546 122.263 122.820 -0.018 0.000 1.969 219 A HA 0.041 4.362 4.320 0.001 0.000 0.218 219 A C 2.189 179.813 177.584 0.068 0.000 1.169 219 A CA 1.701 53.754 52.037 0.027 0.000 0.635 219 A CB -0.730 18.264 19.000 -0.011 0.000 0.810 219 A HN 0.358 nan 8.150 nan 0.000 0.445 220 V N -0.254 119.649 119.914 -0.018 0.000 2.307 220 V HA -0.195 3.925 4.120 0.001 0.000 0.245 220 V C 3.044 179.120 176.094 -0.030 0.000 1.045 220 V CA 1.798 64.077 62.300 -0.035 0.000 1.024 220 V CB -1.224 30.544 31.823 -0.090 0.000 0.651 220 V HN 0.588 nan 8.190 nan 0.000 0.449 221 A N -0.394 122.389 122.820 -0.062 0.000 1.933 221 A HA -0.249 4.072 4.320 0.001 0.000 0.218 221 A C 2.117 179.708 177.584 0.011 0.000 1.175 221 A CA 2.009 54.006 52.037 -0.067 0.000 0.628 221 A CB -0.747 18.172 19.000 -0.135 0.000 0.814 221 A HN 0.536 nan 8.150 nan 0.000 0.444 222 F N 1.050 120.959 119.950 -0.068 0.000 2.134 222 F HA -0.097 4.430 4.527 0.001 0.000 0.299 222 F C 2.472 178.256 175.800 -0.026 0.000 1.097 222 F CA 1.232 59.212 58.000 -0.034 0.000 1.264 222 F CB -0.369 38.624 39.000 -0.011 0.000 1.001 222 F HN 0.247 nan 8.300 nan 0.000 0.479 223 A N -0.626 122.225 122.820 0.051 0.000 1.933 223 A HA -0.160 4.161 4.320 0.001 0.000 0.218 223 A C 2.338 179.846 177.584 -0.127 0.000 1.175 223 A CA 1.983 53.992 52.037 -0.047 0.000 0.628 223 A CB -1.193 17.815 19.000 0.014 0.000 0.814 223 A HN 0.437 nan 8.150 nan 0.000 0.444 224 S N -0.466 115.170 115.700 -0.106 0.000 2.383 224 S HA -0.109 4.362 4.470 0.001 0.000 0.227 224 S C 1.866 176.384 174.600 -0.137 0.000 1.026 224 S CA 1.332 59.467 58.200 -0.109 0.000 0.981 224 S CB -0.407 62.739 63.200 -0.090 0.000 0.818 224 S HN 0.347 nan 8.310 nan 0.000 0.472 225 V N 2.054 121.860 119.914 -0.180 0.000 2.343 225 V HA -0.183 3.938 4.120 0.001 0.000 0.247 225 V C 2.648 178.589 176.094 -0.255 0.000 1.051 225 V CA 1.687 63.864 62.300 -0.205 0.000 1.036 225 V CB -1.163 30.523 31.823 -0.228 0.000 0.654 225 V HN 0.543 nan 8.190 nan 0.000 0.451 226 A N -0.185 122.413 122.820 -0.369 0.000 1.972 226 A HA -0.241 4.080 4.320 0.001 0.000 0.219 226 A C 2.396 179.884 177.584 -0.160 0.000 1.169 226 A CA 1.911 53.761 52.037 -0.311 0.000 0.635 226 A CB -0.558 18.227 19.000 -0.359 0.000 0.810 226 A HN 0.491 nan 8.150 nan 0.000 0.446 227 R N -0.539 119.881 120.500 -0.133 0.000 2.115 227 R HA -0.127 4.213 4.340 0.001 0.000 0.230 227 R C 2.198 178.455 176.300 -0.072 0.000 1.111 227 R CA 1.653 57.703 56.100 -0.083 0.000 0.976 227 R CB -0.189 30.062 30.300 -0.082 0.000 0.870 227 R HN 0.703 nan 8.270 nan 0.000 0.445 228 Q N -0.871 118.876 119.800 -0.087 0.000 2.123 228 Q HA -0.033 4.308 4.340 0.001 0.000 0.196 228 Q C -0.116 175.842 176.000 -0.069 0.000 0.958 228 Q CA 0.785 56.546 55.803 -0.071 0.000 0.841 228 Q CB 0.487 29.181 28.738 -0.073 0.000 0.915 228 Q HN 0.104 nan 8.270 nan 0.000 0.455 229 D N -1.572 118.773 120.400 -0.092 0.000 2.319 229 D HA 0.247 4.888 4.640 0.001 0.000 0.237 229 D C -0.252 175.977 176.300 -0.120 0.000 1.353 229 D CA -0.048 53.898 54.000 -0.089 0.000 0.992 229 D CB 1.167 41.918 40.800 -0.081 0.000 1.368 229 D HN 0.060 nan 8.370 nan 0.000 0.564 230 A N 3.053 125.813 122.820 -0.101 0.000 1.978 230 A HA -0.188 4.132 4.320 0.001 0.000 0.220 230 A C 1.813 179.307 177.584 -0.150 0.000 1.170 230 A CA 1.700 53.667 52.037 -0.116 0.000 0.636 230 A CB -0.108 18.854 19.000 -0.063 0.000 0.810 230 A HN 0.508 nan 8.150 nan 0.000 0.448 231 E N 0.534 120.656 120.200 -0.130 0.000 2.072 231 E HA -0.160 4.191 4.350 0.001 0.000 0.190 231 E C 1.894 178.408 176.600 -0.144 0.000 0.982 231 E CA 1.431 57.742 56.400 -0.148 0.000 0.803 231 E CB -0.475 29.160 29.700 -0.108 0.000 0.755 231 E HN 0.707 nan 8.360 nan 0.000 0.453 232 N N -0.536 118.094 118.700 -0.117 0.000 2.104 232 N HA -0.217 4.523 4.740 0.001 0.000 0.190 232 N C 1.718 177.167 175.510 -0.102 0.000 1.024 232 N CA 1.347 54.340 53.050 -0.095 0.000 0.853 232 N CB -0.129 38.308 38.487 -0.085 0.000 1.008 232 N HN 0.248 nan 8.380 nan 0.000 0.424 233 A N 1.505 124.220 122.820 -0.176 0.000 1.898 233 A HA -0.127 4.194 4.320 0.001 0.000 0.216 233 A C 2.237 179.802 177.584 -0.032 0.000 1.181 233 A CA 0.954 52.847 52.037 -0.240 0.000 0.620 233 A CB -0.642 17.994 19.000 -0.605 0.000 0.819 233 A HN 0.358 nan 8.150 nan 0.000 0.442 234 R N -0.282 120.112 120.500 -0.177 0.000 2.091 234 R HA -0.073 4.268 4.340 0.001 0.000 0.238 234 R C 1.819 177.976 176.300 -0.238 0.000 1.136 234 R CA 1.620 57.504 56.100 -0.359 0.000 0.959 234 R CB -0.383 29.500 30.300 -0.694 0.000 0.856 234 R HN 0.525 nan 8.270 nan 0.000 0.437 235 L N 0.144 121.270 121.223 -0.162 0.000 2.291 235 L HA -0.076 4.264 4.340 0.001 0.000 0.214 235 L C 2.555 179.426 176.870 0.001 0.000 1.120 235 L CA 0.664 55.452 54.840 -0.087 0.000 0.799 235 L CB -0.182 41.831 42.059 -0.078 0.000 0.925 235 L HN 0.356 nan 8.230 nan 0.000 0.446 236 M N -0.323 119.314 119.600 0.063 0.000 2.506 236 M HA -0.075 4.405 4.480 0.001 0.000 0.260 236 M C 2.083 178.460 176.300 0.127 0.000 1.104 236 M CA 1.040 56.413 55.300 0.122 0.000 1.112 236 M CB 0.130 32.851 32.600 0.202 0.000 1.401 236 M HN 0.163 nan 8.290 nan 0.000 0.473 237 I N 1.217 121.872 120.570 0.140 0.000 2.145 237 I HA -0.275 3.895 4.170 0.001 0.000 0.244 237 I C -0.775 175.364 176.117 0.036 0.000 1.075 237 I CA 1.640 62.979 61.300 0.065 0.000 1.332 237 I CB -1.976 36.110 38.000 0.143 0.000 1.033 237 I HN 0.243 nan 8.210 nan 0.000 0.410 238 P HA -0.109 nan 4.420 nan 0.000 0.215 238 P C 1.832 179.148 177.300 0.026 0.000 1.157 238 P CA 1.481 64.607 63.100 0.044 0.000 0.868 238 P CB 0.048 31.778 31.700 0.051 0.000 0.788 239 S N -0.678 115.040 115.700 0.030 0.000 2.368 239 S HA -0.130 4.341 4.470 0.001 0.000 0.225 239 S C 1.763 176.374 174.600 0.018 0.000 1.030 239 S CA 0.923 59.138 58.200 0.026 0.000 0.999 239 S CB -1.074 62.147 63.200 0.034 0.000 0.844 239 S HN 0.043 nan 8.310 nan 0.000 0.459 240 L N 1.866 123.096 121.223 0.011 0.000 2.056 240 L HA 0.097 4.438 4.340 0.001 0.000 0.207 240 L C 2.351 179.201 176.870 -0.034 0.000 1.078 240 L CA 1.771 56.603 54.840 -0.014 0.000 0.749 240 L CB -1.130 40.890 42.059 -0.066 0.000 0.901 240 L HN 0.239 nan 8.230 nan 0.000 0.433 241 A N -1.169 121.627 122.820 -0.040 0.000 1.933 241 A HA -0.253 4.067 4.320 0.001 0.000 0.218 241 A C 2.300 179.876 177.584 -0.014 0.000 1.175 241 A CA 1.789 53.806 52.037 -0.033 0.000 0.628 241 A CB -0.666 18.321 19.000 -0.022 0.000 0.814 241 A HN 0.626 nan 8.150 nan 0.000 0.444 242 Q N -0.384 119.414 119.800 -0.003 0.000 2.083 242 Q HA -0.075 4.265 4.340 0.001 0.000 0.198 242 Q C 2.207 178.206 176.000 -0.001 0.000 0.969 242 Q CA 1.478 57.282 55.803 0.001 0.000 0.838 242 Q CB -0.320 28.422 28.738 0.007 0.000 0.900 242 Q HN 0.558 nan 8.270 nan 0.000 0.436 243 A N 0.642 123.463 122.820 0.001 0.000 1.972 243 A HA -0.161 4.159 4.320 0.001 0.000 0.219 243 A C 1.619 179.199 177.584 -0.007 0.000 1.169 243 A CA 1.400 53.436 52.037 -0.001 0.000 0.635 243 A CB -0.171 18.834 19.000 0.008 0.000 0.810 243 A HN 0.512 nan 8.150 nan 0.000 0.446 244 Q N -1.617 118.178 119.800 -0.007 0.000 2.159 244 Q HA 0.168 4.508 4.340 0.001 0.000 0.217 244 Q C -0.775 175.221 176.000 -0.007 0.000 0.818 244 Q CA -0.124 55.674 55.803 -0.008 0.000 1.008 244 Q CB 0.647 29.383 28.738 -0.005 0.000 1.148 244 Q HN 0.685 nan 8.270 nan 0.000 0.491 245 Q N 0.415 120.211 119.800 -0.007 0.000 2.435 245 Q HA -0.199 4.141 4.340 0.001 0.000 0.312 245 Q C -0.777 175.219 176.000 -0.007 0.000 1.333 245 Q CA 0.664 56.464 55.803 -0.005 0.000 0.883 245 Q CB -2.043 26.694 28.738 -0.002 0.000 1.170 245 Q HN 0.421 nan 8.270 nan 0.000 0.443 246 L N 1.166 122.381 121.223 -0.013 0.000 2.485 246 L HA 0.087 4.428 4.340 0.001 0.000 0.275 246 L C 1.220 178.083 176.870 -0.012 0.000 1.207 246 L CA -0.190 54.640 54.840 -0.017 0.000 0.855 246 L CB 0.109 42.147 42.059 -0.035 0.000 1.114 246 L HN 0.408 nan 8.230 nan 0.000 0.485 247 N N 1.419 120.113 118.700 -0.009 0.000 2.364 247 N HA 0.041 4.782 4.740 0.001 0.000 0.264 247 N C 0.556 176.062 175.510 -0.008 0.000 1.263 247 N CA -0.520 52.527 53.050 -0.005 0.000 0.959 247 N CB 0.435 38.922 38.487 -0.001 0.000 1.204 247 N HN 0.396 nan 8.380 nan 0.000 0.550 248 E N -0.354 119.843 120.200 -0.006 0.000 2.085 248 E HA -0.173 4.178 4.350 0.001 0.000 0.194 248 E C 0.834 177.429 176.600 -0.007 0.000 0.994 248 E CA 1.320 57.715 56.400 -0.007 0.000 0.801 248 E CB -0.439 29.257 29.700 -0.007 0.000 0.743 248 E HN 0.617 nan 8.360 nan 0.000 0.453 249 D N 0.758 121.156 120.400 -0.003 0.000 2.117 249 D HA -0.126 4.515 4.640 0.001 0.000 0.197 249 D C 2.077 178.376 176.300 -0.002 0.000 0.987 249 D CA 0.930 54.930 54.000 0.001 0.000 0.829 249 D CB -0.219 40.585 40.800 0.005 0.000 0.961 249 D HN 0.271 nan 8.370 nan 0.000 0.460 250 Q N -0.092 119.703 119.800 -0.009 0.000 2.079 250 Q HA -0.047 4.294 4.340 0.001 0.000 0.200 250 Q C 2.415 178.393 176.000 -0.037 0.000 0.974 250 Q CA 0.739 56.529 55.803 -0.021 0.000 0.840 250 Q CB 0.028 28.751 28.738 -0.025 0.000 0.898 250 Q HN 0.347 nan 8.270 nan 0.000 0.430 251 I N 0.344 120.896 120.570 -0.031 0.000 2.252 251 I HA -0.268 3.903 4.170 0.001 0.000 0.245 251 I C 2.465 178.576 176.117 -0.010 0.000 1.102 251 I CA 0.931 62.212 61.300 -0.032 0.000 1.385 251 I CB -0.143 37.848 38.000 -0.015 0.000 1.064 251 I HN 0.205 nan 8.210 nan 0.000 0.414 252 Q N 1.290 121.088 119.800 -0.004 0.000 2.170 252 Q HA -0.250 4.091 4.340 0.001 0.000 0.203 252 Q C 1.979 177.998 176.000 0.032 0.000 0.976 252 Q CA 1.707 57.512 55.803 0.003 0.000 0.858 252 Q CB -0.218 28.517 28.738 -0.005 0.000 0.907 252 Q HN 0.496 nan 8.270 nan 0.000 0.433 253 E N -0.563 119.655 120.200 0.030 0.000 2.077 253 E HA -0.175 4.175 4.350 0.001 0.000 0.193 253 E C 1.794 178.451 176.600 0.095 0.000 0.989 253 E CA 1.100 57.537 56.400 0.061 0.000 0.800 253 E CB -0.126 29.596 29.700 0.038 0.000 0.746 253 E HN 0.458 nan 8.360 nan 0.000 0.452 254 L N 0.191 121.429 121.223 0.025 0.000 2.046 254 L HA -0.150 4.190 4.340 0.001 0.000 0.208 254 L C 2.830 179.867 176.870 0.278 0.000 1.077 254 L CA 1.119 55.964 54.840 0.009 0.000 0.747 254 L CB -0.451 41.399 42.059 -0.349 0.000 0.896 254 L HN 0.111 nan 8.230 nan 0.000 0.432 255 R N 0.067 120.697 120.500 0.217 0.000 2.081 255 R HA -0.157 4.183 4.340 0.001 0.000 0.235 255 R C 1.917 178.370 176.300 0.255 0.000 1.131 255 R CA 1.580 57.853 56.100 0.289 0.000 0.960 255 R CB -0.374 29.940 30.300 0.023 0.000 0.856 255 R HN 0.359 nan 8.270 nan 0.000 0.436 256 D N 0.738 121.245 120.400 0.177 0.000 2.123 256 D HA -0.143 4.497 4.640 0.001 0.000 0.196 256 D C 1.898 178.403 176.300 0.342 0.000 0.992 256 D CA 1.091 55.199 54.000 0.181 0.000 0.833 256 D CB -0.228 40.681 40.800 0.182 0.000 0.954 256 D HN 0.191 nan 8.370 nan 0.000 0.455 257 I N 0.312 121.107 120.570 0.374 0.000 2.163 257 I HA -0.253 3.917 4.170 0.001 0.000 0.243 257 I C 2.366 178.688 176.117 0.341 0.000 1.085 257 I CA 0.747 62.278 61.300 0.385 0.000 1.347 257 I CB -0.113 38.132 38.000 0.407 0.000 1.044 257 I HN -0.086 nan 8.210 nan 0.000 0.408 258 V N 0.750 120.885 119.914 0.368 0.000 2.379 258 V HA -0.239 3.882 4.120 0.001 0.000 0.245 258 V C 2.675 178.938 176.094 0.281 0.000 1.044 258 V CA 1.785 64.247 62.300 0.270 0.000 1.036 258 V CB -0.935 31.065 31.823 0.295 0.000 0.664 258 V HN 0.489 nan 8.190 nan 0.000 0.453 259 A N -1.033 121.980 122.820 0.321 0.000 1.940 259 A HA -0.281 4.039 4.320 0.001 0.000 0.219 259 A C 1.945 179.556 177.584 0.045 0.000 1.176 259 A CA 1.988 54.117 52.037 0.153 0.000 0.631 259 A CB -0.957 18.036 19.000 -0.012 0.000 0.814 259 A HN 0.683 nan 8.150 nan 0.000 0.446 260 W N -0.188 121.139 121.300 0.046 0.000 2.350 260 W HA -0.121 4.540 4.660 0.001 0.000 0.289 260 W C 1.996 178.518 176.519 0.005 0.000 1.215 260 W CA 1.122 58.472 57.345 0.010 0.000 1.236 260 W CB 0.141 29.609 29.460 0.013 0.000 1.130 260 W HN 0.167 nan 8.180 nan 0.000 0.541 261 R N -0.113 120.536 120.500 0.248 0.000 2.317 261 R HA 0.175 4.516 4.340 0.001 0.000 0.208 261 R C 0.701 177.050 176.300 0.081 0.000 0.914 261 R CA 0.478 56.659 56.100 0.135 0.000 1.060 261 R CB -0.696 29.645 30.300 0.068 0.000 1.015 261 R HN 0.306 nan 8.270 nan 0.000 0.498 262 L N 0.340 121.609 121.223 0.077 0.000 3.062 262 L HA 0.290 4.630 4.340 0.001 0.000 0.255 262 L C 0.857 177.733 176.870 0.010 0.000 1.274 262 L CA -0.195 54.672 54.840 0.044 0.000 1.047 262 L CB 0.219 42.322 42.059 0.074 0.000 1.402 262 L HN -0.104 nan 8.230 nan 0.000 0.550 263 M N -0.164 119.444 119.600 0.014 0.000 2.428 263 M HA 0.230 4.711 4.480 0.001 0.000 0.239 263 M C 1.215 177.514 176.300 -0.001 0.000 1.121 263 M CA 0.050 55.337 55.300 -0.022 0.000 1.019 263 M CB -0.283 32.312 32.600 -0.009 0.000 1.485 263 M HN 0.181 nan 8.290 nan 0.000 0.484 264 G N 1.412 110.226 108.800 0.023 0.000 2.616 264 G HA2 0.179 4.139 3.960 0.001 0.000 0.268 264 G HA3 0.179 4.139 3.960 0.001 0.000 0.268 264 G C 0.698 175.608 174.900 0.017 0.000 1.213 264 G CA -0.380 44.739 45.100 0.032 0.000 0.926 264 G HN 0.446 nan 8.290 nan 0.000 0.523 265 N N -0.068 118.648 118.700 0.026 0.000 2.396 265 N HA -0.118 4.623 4.740 0.001 0.000 0.180 265 N C 1.361 176.882 175.510 0.018 0.000 1.028 265 N CA 1.602 54.665 53.050 0.022 0.000 0.893 265 N CB -0.178 38.329 38.487 0.033 0.000 0.967 265 N HN 0.669 nan 8.380 nan 0.000 0.440 266 D N 1.152 121.564 120.400 0.019 0.000 2.312 266 D HA -0.086 4.555 4.640 0.001 0.000 0.211 266 D C 0.705 177.011 176.300 0.010 0.000 0.964 266 D CA 0.202 54.211 54.000 0.014 0.000 0.877 266 D CB -0.601 40.207 40.800 0.014 0.000 0.924 266 D HN 0.244 nan 8.370 nan 0.000 0.515 267 V N 1.393 121.314 119.914 0.011 0.000 2.752 267 V HA 0.080 4.201 4.120 0.001 0.000 0.306 267 V C 0.834 176.936 176.094 0.013 0.000 1.099 267 V CA -0.077 62.230 62.300 0.011 0.000 1.240 267 V CB -0.064 31.768 31.823 0.015 0.000 0.887 267 V HN 0.288 nan 8.190 nan 0.000 0.499 268 T N 1.506 116.067 114.554 0.012 0.000 2.788 268 T HA 0.207 4.558 4.350 0.001 0.000 0.287 268 T C 0.690 175.406 174.700 0.027 0.000 1.007 268 T CA 0.289 62.398 62.100 0.015 0.000 1.005 268 T CB 0.868 69.740 68.868 0.008 0.000 1.012 268 T HN 0.746 nan 8.240 nan 0.000 0.530 269 D N -0.159 120.257 120.400 0.028 0.000 2.144 269 D HA -0.097 4.543 4.640 0.001 0.000 0.200 269 D C 1.853 178.186 176.300 0.054 0.000 0.978 269 D CA 1.305 55.328 54.000 0.037 0.000 0.833 269 D CB -0.226 40.592 40.800 0.031 0.000 0.961 269 D HN 0.884 nan 8.370 nan 0.000 0.470 270 E N 0.759 120.989 120.200 0.050 0.000 2.077 270 E HA -0.204 4.146 4.350 0.001 0.000 0.193 270 E C 1.927 178.592 176.600 0.109 0.000 0.989 270 E CA 0.935 57.378 56.400 0.070 0.000 0.800 270 E CB 0.118 29.843 29.700 0.042 0.000 0.746 270 E HN 0.280 nan 8.360 nan 0.000 0.452 271 Q N -0.100 119.745 119.800 0.075 0.000 2.079 271 Q HA -0.116 4.224 4.340 0.001 0.000 0.200 271 Q C 2.218 178.313 176.000 0.158 0.000 0.974 271 Q CA 1.284 57.144 55.803 0.096 0.000 0.840 271 Q CB -0.126 28.628 28.738 0.028 0.000 0.898 271 Q HN 0.352 nan 8.270 nan 0.000 0.430 272 A N 1.527 124.408 122.820 0.102 0.000 1.933 272 A HA -0.228 4.092 4.320 0.001 0.000 0.218 272 A C 2.007 179.655 177.584 0.108 0.000 1.175 272 A CA 1.638 53.726 52.037 0.084 0.000 0.628 272 A CB -0.400 18.630 19.000 0.050 0.000 0.814 272 A HN 0.222 nan 8.150 nan 0.000 0.444 273 K N -1.807 118.666 120.400 0.122 0.000 2.057 273 K HA -0.204 4.117 4.320 0.001 0.000 0.206 273 K C 1.878 178.560 176.600 0.136 0.000 1.050 273 K CA 1.531 57.886 56.287 0.113 0.000 0.935 273 K CB -0.332 32.228 32.500 0.101 0.000 0.715 273 K HN 0.618 nan 8.250 nan 0.000 0.439 274 W N 2.128 123.438 121.300 0.017 0.000 2.355 274 W HA -0.157 4.503 4.660 0.001 0.000 0.309 274 W C 2.335 178.861 176.519 0.013 0.000 1.206 274 W CA 1.878 59.234 57.345 0.018 0.000 1.284 274 W CB -0.082 29.389 29.460 0.017 0.000 1.145 274 W HN 0.023 nan 8.180 nan 0.000 0.502 275 R N 0.380 121.074 120.500 0.322 0.000 2.083 275 R HA -0.196 4.144 4.340 0.001 0.000 0.237 275 R C 1.637 177.896 176.300 -0.068 0.000 1.137 275 R CA 2.301 58.488 56.100 0.145 0.000 0.951 275 R CB -0.820 29.557 30.300 0.128 0.000 0.851 275 R HN 0.085 nan 8.270 nan 0.000 0.434 276 D N 0.143 120.541 120.400 -0.004 0.000 2.178 276 D HA -0.145 4.495 4.640 0.001 0.000 0.202 276 D C 1.413 177.762 176.300 0.081 0.000 0.974 276 D CA 1.428 55.480 54.000 0.086 0.000 0.841 276 D CB -0.358 40.584 40.800 0.237 0.000 0.953 276 D HN 0.440 nan 8.370 nan 0.000 0.478 277 D N 0.227 120.583 120.400 -0.073 0.000 2.117 277 D HA -0.063 4.578 4.640 0.001 0.000 0.198 277 D C 1.990 178.150 176.300 -0.233 0.000 0.982 277 D CA 1.424 55.337 54.000 -0.146 0.000 0.828 277 D CB 0.073 40.742 40.800 -0.220 0.000 0.967 277 D HN 0.059 nan 8.370 nan 0.000 0.464 278 A N 0.309 122.878 122.820 -0.419 0.000 1.877 278 A HA -0.118 4.202 4.320 0.001 0.000 0.216 278 A C 2.357 179.819 177.584 -0.204 0.000 1.186 278 A CA 1.321 53.097 52.037 -0.435 0.000 0.620 278 A CB -0.865 17.732 19.000 -0.671 0.000 0.822 278 A HN 0.411 nan 8.150 nan 0.000 0.443 279 I N -0.733 119.751 120.570 -0.144 0.000 2.394 279 I HA -0.237 3.933 4.170 0.001 0.000 0.251 279 I C 2.422 178.593 176.117 0.090 0.000 1.136 279 I CA 0.859 62.111 61.300 -0.080 0.000 1.425 279 I CB -0.325 37.521 38.000 -0.257 0.000 1.079 279 I HN 0.252 nan 8.210 nan 0.000 0.425 280 M N 0.235 119.919 119.600 0.141 0.000 2.279 280 M HA -0.136 4.345 4.480 0.001 0.000 0.264 280 M C 1.983 178.278 176.300 -0.007 0.000 1.062 280 M CA 1.654 56.999 55.300 0.075 0.000 1.099 280 M CB -0.911 31.687 32.600 -0.003 0.000 1.394 280 M HN 0.224 nan 8.290 nan 0.000 0.426 281 R N -0.861 119.614 120.500 -0.042 0.000 2.334 281 R HA 0.162 4.502 4.340 0.001 0.000 0.216 281 R C 0.749 177.025 176.300 -0.040 0.000 0.905 281 R CA -0.088 55.979 56.100 -0.054 0.000 1.064 281 R CB 0.312 30.562 30.300 -0.084 0.000 1.046 281 R HN 0.108 nan 8.270 nan 0.000 0.508 282 S N 0.261 115.942 115.700 -0.030 0.000 2.601 282 S HA 0.091 4.561 4.470 0.001 0.000 0.271 282 S C 0.820 175.418 174.600 -0.004 0.000 1.305 282 S CA -0.408 57.779 58.200 -0.021 0.000 1.022 282 S CB 1.142 64.319 63.200 -0.040 0.000 0.940 282 S HN 0.097 nan 8.310 nan 0.000 0.525 283 Q N 1.383 121.188 119.800 0.008 0.000 2.217 283 Q HA 0.200 4.540 4.340 0.001 0.000 0.217 283 Q C 0.139 176.158 176.000 0.031 0.000 0.844 283 Q CA 0.050 55.864 55.803 0.017 0.000 0.957 283 Q CB 0.442 29.192 28.738 0.020 0.000 1.127 283 Q HN 0.545 nan 8.270 nan 0.000 0.503 284 S N 0.920 116.642 115.700 0.035 0.000 2.430 284 S HA 0.104 4.574 4.470 0.001 0.000 0.282 284 S C 1.056 175.684 174.600 0.046 0.000 1.186 284 S CA -0.067 58.172 58.200 0.064 0.000 1.060 284 S CB 0.553 63.816 63.200 0.105 0.000 0.966 284 S HN 0.174 nan 8.310 nan 0.000 0.501 285 T N 4.131 118.727 114.554 0.069 0.000 2.708 285 T HA -0.148 4.203 4.350 0.001 0.000 0.266 285 T C 2.220 176.970 174.700 0.083 0.000 1.037 285 T CA 1.946 64.086 62.100 0.066 0.000 1.146 285 T CB -0.465 68.459 68.868 0.093 0.000 0.865 285 T HN 0.883 nan 8.240 nan 0.000 0.435 286 S N 1.667 117.462 115.700 0.160 0.000 2.382 286 S HA -0.058 4.412 4.470 0.001 0.000 0.228 286 S C 2.025 176.696 174.600 0.119 0.000 1.027 286 S CA 0.803 59.154 58.200 0.252 0.000 0.991 286 S CB -0.686 62.753 63.200 0.397 0.000 0.823 286 S HN 0.293 nan 8.310 nan 0.000 0.469 287 L N 1.669 122.863 121.223 -0.048 0.000 2.056 287 L HA 0.192 4.532 4.340 0.001 0.000 0.207 287 L C 2.205 178.777 176.870 -0.496 0.000 1.078 287 L CA 1.428 55.898 54.840 -0.615 0.000 0.749 287 L CB -0.669 41.085 42.059 -0.507 0.000 0.901 287 L HN 0.347 nan 8.230 nan 0.000 0.433 288 I N -0.540 119.870 120.570 -0.267 0.000 2.226 288 I HA -0.280 3.891 4.170 0.001 0.000 0.245 288 I C 2.358 178.307 176.117 -0.280 0.000 1.100 288 I CA 1.365 62.523 61.300 -0.236 0.000 1.374 288 I CB -0.396 37.552 38.000 -0.087 0.000 1.057 288 I HN 0.342 nan 8.210 nan 0.000 0.413 289 E N 0.379 120.465 120.200 -0.191 0.000 2.110 289 E HA -0.270 4.080 4.350 0.001 0.000 0.193 289 E C 2.206 178.721 176.600 -0.142 0.000 0.988 289 E CA 0.921 57.236 56.400 -0.141 0.000 0.804 289 E CB -0.092 29.712 29.700 0.174 0.000 0.745 289 E HN 0.210 nan 8.360 nan 0.000 0.458 290 R N 1.321 121.695 120.500 -0.210 0.000 2.096 290 R HA -0.126 4.215 4.340 0.001 0.000 0.235 290 R C 2.077 178.167 176.300 -0.350 0.000 1.127 290 R CA 1.431 57.382 56.100 -0.248 0.000 0.968 290 R CB -0.192 29.828 30.300 -0.467 0.000 0.861 290 R HN -0.088 nan 8.270 nan 0.000 0.440 291 R N -0.309 119.889 120.500 -0.503 0.000 2.092 291 R HA 0.025 4.365 4.340 0.001 0.000 0.231 291 R C 1.933 177.902 176.300 -0.552 0.000 1.119 291 R CA 1.527 57.222 56.100 -0.675 0.000 0.970 291 R CB -0.716 28.919 30.300 -1.107 0.000 0.864 291 R HN 0.170 nan 8.270 nan 0.000 0.440 292 V N 0.912 120.579 119.914 -0.411 0.000 2.343 292 V HA -0.215 3.905 4.120 0.001 0.000 0.247 292 V C 2.308 178.246 176.094 -0.260 0.000 1.051 292 V CA 2.118 64.225 62.300 -0.322 0.000 1.036 292 V CB -0.447 31.047 31.823 -0.549 0.000 0.654 292 V HN 0.337 nan 8.190 nan 0.000 0.451 293 R N -0.654 119.728 120.500 -0.197 0.000 2.120 293 R HA -0.139 4.202 4.340 0.001 0.000 0.234 293 R C 2.310 178.496 176.300 -0.191 0.000 1.123 293 R CA 1.748 57.764 56.100 -0.140 0.000 0.975 293 R CB -0.373 29.887 30.300 -0.066 0.000 0.866 293 R HN 0.516 nan 8.270 nan 0.000 0.446 294 M N 0.394 119.864 119.600 -0.218 0.000 2.117 294 M HA -0.128 4.352 4.480 0.001 0.000 0.262 294 M C 2.191 178.393 176.300 -0.164 0.000 1.065 294 M CA 1.905 57.087 55.300 -0.196 0.000 1.114 294 M CB -0.079 32.380 32.600 -0.236 0.000 1.361 294 M HN 0.188 nan 8.290 nan 0.000 0.408 295 A N 0.698 123.414 122.820 -0.173 0.000 1.902 295 A HA -0.121 4.200 4.320 0.001 0.000 0.217 295 A C 2.021 179.520 177.584 -0.141 0.000 1.181 295 A CA 1.456 53.428 52.037 -0.108 0.000 0.623 295 A CB -1.005 17.969 19.000 -0.044 0.000 0.818 295 A HN 0.601 nan 8.150 nan 0.000 0.443 296 L N -0.766 120.323 121.223 -0.223 0.000 2.083 296 L HA -0.116 4.224 4.340 0.001 0.000 0.209 296 L C 2.658 179.412 176.870 -0.193 0.000 1.083 296 L CA 1.046 55.700 54.840 -0.309 0.000 0.752 296 L CB -0.596 41.179 42.059 -0.473 0.000 0.899 296 L HN 0.507 nan 8.230 nan 0.000 0.433 297 G N -1.322 107.381 108.800 -0.162 0.000 2.679 297 G HA2 -0.158 3.803 3.960 0.001 0.000 0.212 297 G HA3 -0.158 3.803 3.960 0.001 0.000 0.212 297 G C 1.345 176.223 174.900 -0.037 0.000 1.137 297 G CA 1.090 46.124 45.100 -0.110 0.000 0.787 297 G HN 0.465 nan 8.290 nan 0.000 0.534 298 T N -4.402 110.126 114.554 -0.042 0.000 3.043 298 T HA 0.412 4.762 4.350 0.001 0.000 0.272 298 T C 1.616 176.319 174.700 0.005 0.000 0.990 298 T CA 0.859 62.956 62.100 -0.006 0.000 0.897 298 T CB 0.493 69.352 68.868 -0.015 0.000 1.111 298 T HN 1.147 nan 8.240 nan 0.000 0.529 299 G N 1.990 110.785 108.800 -0.008 0.000 2.160 299 G HA2 -0.230 3.730 3.960 0.001 0.000 0.251 299 G HA3 -0.230 3.730 3.960 0.001 0.000 0.251 299 G C -0.229 174.673 174.900 0.005 0.000 1.008 299 G CA 0.065 45.169 45.100 0.007 0.000 0.724 299 G HN 0.690 nan 8.290 nan 0.000 0.514 300 D N 0.148 120.542 120.400 -0.009 0.000 2.402 300 D HA 0.324 4.965 4.640 0.001 0.000 0.235 300 D C 1.895 178.199 176.300 0.006 0.000 1.226 300 D CA -0.671 53.332 54.000 0.005 0.000 0.918 300 D CB 0.406 41.213 40.800 0.012 0.000 1.043 300 D HN 0.183 nan 8.370 nan 0.000 0.506 301 R N 3.210 123.718 120.500 0.013 0.000 2.066 301 R HA -0.033 4.307 4.340 0.001 0.000 0.232 301 R C 1.942 178.247 176.300 0.009 0.000 1.131 301 R CA 0.860 56.970 56.100 0.017 0.000 0.955 301 R CB -0.361 29.954 30.300 0.025 0.000 0.851 301 R HN 0.480 nan 8.270 nan 0.000 0.432 302 R N -0.222 120.280 120.500 0.003 0.000 2.096 302 R HA -0.055 4.286 4.340 0.001 0.000 0.235 302 R C 2.371 178.657 176.300 -0.023 0.000 1.127 302 R CA 1.349 57.438 56.100 -0.017 0.000 0.968 302 R CB -0.560 29.727 30.300 -0.020 0.000 0.861 302 R HN 0.349 nan 8.270 nan 0.000 0.440 303 G N 1.336 110.152 108.800 0.027 0.000 2.422 303 G HA2 -0.248 3.713 3.960 0.001 0.000 0.218 303 G HA3 -0.248 3.713 3.960 0.001 0.000 0.218 303 G C 1.340 176.322 174.900 0.135 0.000 1.146 303 G CA 0.307 45.479 45.100 0.121 0.000 0.769 303 G HN 0.170 nan 8.290 nan 0.000 0.547 304 L N 1.212 122.464 121.223 0.049 0.000 2.017 304 L HA -0.048 4.293 4.340 0.001 0.000 0.208 304 L C 2.273 179.141 176.870 -0.004 0.000 1.073 304 L CA 2.299 57.145 54.840 0.012 0.000 0.745 304 L CB -0.779 41.268 42.059 -0.020 0.000 0.894 304 L HN 0.329 nan 8.230 nan 0.000 0.432 305 N N -1.435 117.252 118.700 -0.022 0.000 2.084 305 N HA -0.206 4.534 4.740 0.001 0.000 0.190 305 N C 1.567 177.005 175.510 -0.119 0.000 1.030 305 N CA 2.098 55.117 53.050 -0.051 0.000 0.849 305 N CB -0.002 38.456 38.487 -0.049 0.000 1.012 305 N HN 0.448 nan 8.380 nan 0.000 0.423 306 T N -0.190 114.246 114.554 -0.197 0.000 2.652 306 T HA -0.142 4.208 4.350 0.001 0.000 0.267 306 T C 1.375 175.784 174.700 -0.486 0.000 1.039 306 T CA 1.640 63.497 62.100 -0.406 0.000 1.153 306 T CB -0.511 67.985 68.868 -0.620 0.000 0.863 306 T HN 0.457 nan 8.240 nan 0.000 0.428 307 W N 0.870 122.084 121.300 -0.144 0.000 2.436 307 W HA 0.213 4.874 4.660 0.001 0.000 0.284 307 W C 2.192 178.567 176.519 -0.240 0.000 1.225 307 W CA -0.227 57.003 57.345 -0.192 0.000 1.271 307 W CB -0.425 28.907 29.460 -0.215 0.000 1.114 307 W HN 0.121 nan 8.180 nan 0.000 0.559 308 L N 0.226 121.413 121.223 -0.061 0.000 2.083 308 L HA -0.176 4.164 4.340 0.001 0.000 0.209 308 L C 2.390 179.188 176.870 -0.119 0.000 1.083 308 L CA 1.707 56.455 54.840 -0.154 0.000 0.752 308 L CB -1.005 41.005 42.059 -0.081 0.000 0.899 308 L HN 0.056 nan 8.230 nan 0.000 0.433 309 A N -0.760 121.996 122.820 -0.106 0.000 2.066 309 A HA -0.133 4.187 4.320 0.001 0.000 0.218 309 A C 2.030 179.554 177.584 -0.101 0.000 1.157 309 A CA 0.704 52.681 52.037 -0.100 0.000 0.670 309 A CB -0.269 18.661 19.000 -0.117 0.000 0.804 309 A HN 0.298 nan 8.150 nan 0.000 0.453 310 R N -0.434 120.003 120.500 -0.105 0.000 2.275 310 R HA 0.191 4.531 4.340 0.001 0.000 0.199 310 R C 0.195 176.471 176.300 -0.039 0.000 0.989 310 R CA -0.026 56.033 56.100 -0.067 0.000 1.016 310 R CB -0.823 29.469 30.300 -0.013 0.000 0.918 310 R HN 0.457 nan 8.270 nan 0.000 0.473 311 L N 3.829 125.009 121.223 -0.072 0.000 2.456 311 L HA 0.091 4.432 4.340 0.001 0.000 0.272 311 L C -1.715 175.138 176.870 -0.028 0.000 1.189 311 L CA -1.483 53.311 54.840 -0.077 0.000 0.846 311 L CB 0.177 42.138 42.059 -0.162 0.000 1.111 311 L HN -0.125 nan 8.230 nan 0.000 0.475 312 P HA -0.034 nan 4.420 nan 0.000 0.272 312 P C 0.584 177.903 177.300 0.031 0.000 1.230 312 P CA -0.405 62.705 63.100 0.016 0.000 0.788 312 P CB 0.750 32.467 31.700 0.028 0.000 0.949 313 M N 1.197 120.815 119.600 0.030 0.000 2.108 313 M HA -0.287 4.193 4.480 0.001 0.000 0.257 313 M C 1.394 177.730 176.300 0.061 0.000 1.071 313 M CA 2.240 57.564 55.300 0.039 0.000 1.093 313 M CB -0.415 32.203 32.600 0.031 0.000 1.345 313 M HN 0.279 nan 8.290 nan 0.000 0.403 314 E N 0.605 120.843 120.200 0.063 0.000 2.085 314 E HA -0.152 4.199 4.350 0.001 0.000 0.194 314 E C 1.987 178.654 176.600 0.111 0.000 0.994 314 E CA 1.817 58.263 56.400 0.077 0.000 0.801 314 E CB -0.489 29.252 29.700 0.069 0.000 0.743 314 E HN 0.684 nan 8.360 nan 0.000 0.453 315 A N 0.953 123.852 122.820 0.131 0.000 1.969 315 A HA -0.189 4.132 4.320 0.001 0.000 0.218 315 A C 1.762 179.539 177.584 0.323 0.000 1.169 315 A CA 1.309 53.478 52.037 0.220 0.000 0.635 315 A CB -0.298 18.819 19.000 0.195 0.000 0.810 315 A HN 0.083 nan 8.150 nan 0.000 0.445 316 K N 0.011 120.538 120.400 0.211 0.000 2.442 316 K HA -0.076 4.244 4.320 0.001 0.000 0.198 316 K C 1.193 177.909 176.600 0.193 0.000 1.042 316 K CA 0.888 57.309 56.287 0.223 0.000 0.958 316 K CB 0.025 32.596 32.500 0.118 0.000 0.766 316 K HN 0.484 nan 8.250 nan 0.000 0.474 317 E N 1.225 121.516 120.200 0.151 0.000 2.285 317 E HA -0.048 4.303 4.350 0.001 0.000 0.194 317 E C 0.036 176.683 176.600 0.078 0.000 0.997 317 E CA 0.594 57.054 56.400 0.101 0.000 0.845 317 E CB 0.095 29.844 29.700 0.083 0.000 0.782 317 E HN 0.292 nan 8.360 nan 0.000 0.491 318 K N 1.731 122.183 120.400 0.087 0.000 2.436 318 K HA -0.026 4.295 4.320 0.001 0.000 0.275 318 K C 0.583 177.106 176.600 -0.129 0.000 0.999 318 K CA -0.260 56.001 56.287 -0.043 0.000 0.980 318 K CB 0.599 33.011 32.500 -0.147 0.000 0.919 318 K HN -0.167 nan 8.250 nan 0.000 0.484 319 D N 2.644 122.957 120.400 -0.145 0.000 2.126 319 D HA -0.252 4.389 4.640 0.001 0.000 0.190 319 D C 1.857 177.863 176.300 -0.489 0.000 1.001 319 D CA 1.768 55.662 54.000 -0.176 0.000 0.841 319 D CB 0.034 40.810 40.800 -0.041 0.000 0.949 319 D HN 0.698 nan 8.370 nan 0.000 0.446 320 E N 0.225 119.952 120.200 -0.788 0.000 2.085 320 E HA -0.219 4.131 4.350 0.001 0.000 0.194 320 E C 2.370 178.720 176.600 -0.415 0.000 0.994 320 E CA 1.137 56.832 56.400 -1.174 0.000 0.801 320 E CB -1.177 27.868 29.700 -1.092 0.000 0.743 320 E HN 0.582 nan 8.360 nan 0.000 0.453 321 W N 1.244 122.530 121.300 -0.024 0.000 2.518 321 W HA 0.124 4.784 4.660 0.001 0.000 0.273 321 W C 2.779 179.315 176.519 0.029 0.000 1.247 321 W CA -0.058 57.330 57.345 0.072 0.000 1.288 321 W CB -0.019 29.477 29.460 0.060 0.000 1.107 321 W HN -0.009 nan 8.180 nan 0.000 0.586 322 R N -0.334 120.244 120.500 0.130 0.000 2.075 322 R HA -0.179 4.162 4.340 0.001 0.000 0.232 322 R C 2.101 178.396 176.300 -0.009 0.000 1.126 322 R CA 1.679 57.815 56.100 0.060 0.000 0.963 322 R CB -0.924 29.391 30.300 0.025 0.000 0.858 322 R HN 0.232 nan 8.270 nan 0.000 0.435 323 Y N -0.072 120.099 120.300 -0.215 0.000 2.145 323 Y HA -0.250 4.301 4.550 0.001 0.000 0.286 323 Y C 1.569 177.282 175.900 -0.311 0.000 1.145 323 Y CA 1.434 59.340 58.100 -0.324 0.000 1.148 323 Y CB -0.297 37.841 38.460 -0.537 0.000 0.981 323 Y HN 0.050 nan 8.280 nan 0.000 0.507 324 W N 0.261 121.590 121.300 0.049 0.000 2.465 324 W HA -0.112 4.548 4.660 0.000 0.000 0.268 324 W C 2.499 178.996 176.519 -0.037 0.000 1.242 324 W CA 1.053 58.423 57.345 0.043 0.000 1.248 324 W CB -0.285 29.337 29.460 0.270 0.000 1.118 324 W HN 0.154 nan 8.180 nan 0.000 0.587 325 Q N 0.993 120.869 119.800 0.126 0.000 2.083 325 Q HA -0.092 4.248 4.340 0.001 0.000 0.198 325 Q C 2.224 178.197 176.000 -0.044 0.000 0.969 325 Q CA 2.281 58.120 55.803 0.059 0.000 0.838 325 Q CB -0.712 28.062 28.738 0.059 0.000 0.900 325 Q HN 0.134 nan 8.270 nan 0.000 0.436 326 A N 0.214 122.941 122.820 -0.155 0.000 1.902 326 A HA -0.216 4.105 4.320 0.001 0.000 0.217 326 A C 1.917 179.345 177.584 -0.261 0.000 1.181 326 A CA 1.873 53.778 52.037 -0.219 0.000 0.623 326 A CB -1.052 17.766 19.000 -0.302 0.000 0.818 326 A HN 0.612 nan 8.150 nan 0.000 0.443 327 D N -0.358 119.805 120.400 -0.396 0.000 2.123 327 D HA -0.139 4.502 4.640 0.001 0.000 0.196 327 D C 1.843 178.119 176.300 -0.039 0.000 0.992 327 D CA 1.358 55.199 54.000 -0.266 0.000 0.833 327 D CB -0.154 40.501 40.800 -0.242 0.000 0.954 327 D HN 0.433 nan 8.370 nan 0.000 0.455 328 L N -0.145 121.091 121.223 0.021 0.000 2.046 328 L HA -0.127 4.214 4.340 0.001 0.000 0.208 328 L C 2.559 179.430 176.870 0.002 0.000 1.077 328 L CA 0.640 55.503 54.840 0.039 0.000 0.747 328 L CB -0.390 41.700 42.059 0.051 0.000 0.896 328 L HN 0.204 nan 8.230 nan 0.000 0.432 329 L N -0.632 120.578 121.223 -0.021 0.000 2.083 329 L HA -0.238 4.103 4.340 0.001 0.000 0.209 329 L C 2.507 179.362 176.870 -0.026 0.000 1.083 329 L CA 1.120 55.946 54.840 -0.024 0.000 0.752 329 L CB -0.387 41.653 42.059 -0.033 0.000 0.899 329 L HN 0.264 nan 8.230 nan 0.000 0.433 330 L N -0.458 120.741 121.223 -0.041 0.000 2.017 330 L HA -0.243 4.098 4.340 0.001 0.000 0.208 330 L C 2.612 179.476 176.870 -0.009 0.000 1.073 330 L CA 1.442 56.264 54.840 -0.031 0.000 0.745 330 L CB -0.449 41.582 42.059 -0.047 0.000 0.894 330 L HN 0.319 nan 8.230 nan 0.000 0.432 331 E N -0.088 120.112 120.200 0.000 0.000 2.153 331 E HA -0.195 4.156 4.350 0.001 0.000 0.194 331 E C 2.077 178.682 176.600 0.009 0.000 0.988 331 E CA 0.662 57.070 56.400 0.013 0.000 0.811 331 E CB 0.223 29.939 29.700 0.027 0.000 0.746 331 E HN 0.239 nan 8.360 nan 0.000 0.466 332 R N -0.686 119.816 120.500 0.003 0.000 2.323 332 R HA 0.012 4.353 4.340 0.001 0.000 0.198 332 R C 1.230 177.530 176.300 -0.001 0.000 0.988 332 R CA 0.848 56.948 56.100 0.000 0.000 1.041 332 R CB 0.108 30.406 30.300 -0.003 0.000 0.926 332 R HN 0.374 nan 8.270 nan 0.000 0.476 333 G N 1.555 110.355 108.800 -0.001 0.000 2.136 333 G HA2 -0.242 3.719 3.960 0.001 0.000 0.242 333 G HA3 -0.242 3.719 3.960 0.001 0.000 0.242 333 G C 0.036 174.934 174.900 -0.002 0.000 0.989 333 G CA -0.180 44.919 45.100 -0.000 0.000 0.682 333 G HN 0.141 nan 8.290 nan 0.000 0.522 334 R N 0.722 121.218 120.500 -0.006 0.000 3.570 334 R HA 0.295 4.636 4.340 0.001 0.000 0.233 334 R C 1.221 177.516 176.300 -0.009 0.000 1.492 334 R CA 0.019 56.115 56.100 -0.006 0.000 1.504 334 R CB 0.235 30.530 30.300 -0.008 0.000 1.314 334 R HN 0.735 nan 8.270 nan 0.000 0.687 335 E N 1.758 121.955 120.200 -0.005 0.000 2.038 335 E HA -0.232 4.119 4.350 0.001 0.000 0.195 335 E C 1.479 178.078 176.600 -0.002 0.000 1.000 335 E CA 1.726 58.123 56.400 -0.005 0.000 0.803 335 E CB 0.247 29.949 29.700 0.003 0.000 0.750 335 E HN 0.468 nan 8.360 nan 0.000 0.448 336 A N 1.108 123.932 122.820 0.008 0.000 1.883 336 A HA -0.270 4.051 4.320 0.001 0.000 0.217 336 A C 2.096 179.689 177.584 0.016 0.000 1.186 336 A CA 1.888 53.936 52.037 0.019 0.000 0.624 336 A CB -0.713 18.298 19.000 0.019 0.000 0.822 336 A HN 0.473 nan 8.150 nan 0.000 0.444 337 E N -0.391 119.812 120.200 0.005 0.000 2.077 337 E HA -0.132 4.218 4.350 0.001 0.000 0.193 337 E C 2.193 178.787 176.600 -0.010 0.000 0.989 337 E CA 1.031 57.433 56.400 0.002 0.000 0.800 337 E CB -0.241 29.457 29.700 -0.002 0.000 0.746 337 E HN 0.554 nan 8.360 nan 0.000 0.452 338 A N 1.230 124.034 122.820 -0.027 0.000 1.873 338 A HA -0.181 4.140 4.320 0.001 0.000 0.215 338 A C 2.005 179.547 177.584 -0.070 0.000 1.186 338 A CA 1.585 53.588 52.037 -0.057 0.000 0.616 338 A CB -0.318 18.640 19.000 -0.071 0.000 0.823 338 A HN 0.119 nan 8.150 nan 0.000 0.442 339 K N -0.728 119.637 120.400 -0.059 0.000 2.288 339 K HA -0.117 4.203 4.320 0.001 0.000 0.201 339 K C 1.943 178.513 176.600 -0.049 0.000 1.048 339 K CA 1.201 57.422 56.287 -0.112 0.000 0.956 339 K CB 0.026 32.474 32.500 -0.088 0.000 0.746 339 K HN 0.488 nan 8.250 nan 0.000 0.461 340 E N 1.614 121.839 120.200 0.042 0.000 2.107 340 E HA -0.089 4.261 4.350 0.001 0.000 0.191 340 E C 1.630 178.268 176.600 0.063 0.000 0.982 340 E CA 1.027 57.486 56.400 0.099 0.000 0.809 340 E CB -0.090 29.651 29.700 0.068 0.000 0.756 340 E HN 0.220 nan 8.360 nan 0.000 0.459 341 I N 0.225 120.803 120.570 0.014 0.000 2.179 341 I HA -0.267 3.904 4.170 0.001 0.000 0.242 341 I C 2.278 178.400 176.117 0.008 0.000 1.088 341 I CA 0.915 62.220 61.300 0.009 0.000 1.357 341 I CB -0.272 37.716 38.000 -0.020 0.000 1.051 341 I HN 0.154 nan 8.210 nan 0.000 0.409 342 L N -0.305 120.892 121.223 -0.044 0.000 2.046 342 L HA -0.253 4.088 4.340 0.001 0.000 0.208 342 L C 2.539 179.393 176.870 -0.027 0.000 1.077 342 L CA 1.686 56.493 54.840 -0.054 0.000 0.747 342 L CB -0.958 41.015 42.059 -0.144 0.000 0.896 342 L HN 0.324 nan 8.230 nan 0.000 0.432 343 H N -0.987 118.101 119.070 0.030 0.000 2.389 343 H HA -0.127 4.429 4.556 0.001 0.000 0.299 343 H C 2.418 177.763 175.328 0.029 0.000 1.081 343 H CA 0.842 56.905 56.048 0.025 0.000 1.345 343 H CB 0.267 30.036 29.762 0.011 0.000 1.393 343 H HN 0.307 nan 8.280 nan 0.000 0.520 344 Q N 0.410 120.297 119.800 0.144 0.000 2.119 344 Q HA -0.111 4.230 4.340 0.001 0.000 0.201 344 Q C 2.482 178.538 176.000 0.094 0.000 0.972 344 Q CA 0.815 56.676 55.803 0.097 0.000 0.847 344 Q CB -0.153 28.628 28.738 0.072 0.000 0.903 344 Q HN 0.531 nan 8.270 nan 0.000 0.433 345 L N 0.033 121.312 121.223 0.093 0.000 2.046 345 L HA -0.147 4.193 4.340 0.001 0.000 0.208 345 L C 2.482 179.435 176.870 0.137 0.000 1.077 345 L CA 0.895 55.797 54.840 0.103 0.000 0.747 345 L CB -0.304 41.815 42.059 0.101 0.000 0.896 345 L HN 0.244 nan 8.230 nan 0.000 0.432 346 M N -1.081 118.607 119.600 0.147 0.000 2.358 346 M HA -0.206 4.274 4.480 0.001 0.000 0.264 346 M C 2.019 178.402 176.300 0.139 0.000 1.064 346 M CA 1.270 56.688 55.300 0.196 0.000 1.093 346 M CB -0.166 32.533 32.600 0.166 0.000 1.401 346 M HN 0.245 nan 8.290 nan 0.000 0.440 347 Q N 0.268 120.126 119.800 0.096 0.000 2.369 347 Q HA 0.025 4.366 4.340 0.001 0.000 0.206 347 Q C 0.446 176.492 176.000 0.076 0.000 0.963 347 Q CA 0.798 56.630 55.803 0.048 0.000 0.894 347 Q CB -0.097 28.668 28.738 0.044 0.000 0.965 347 Q HN 0.634 nan 8.270 nan 0.000 0.475 348 Q N 0.039 119.919 119.800 0.134 0.000 2.171 348 Q HA 0.395 4.736 4.340 0.001 0.000 0.217 348 Q C -0.149 175.993 176.000 0.236 0.000 0.995 348 Q CA -0.595 55.299 55.803 0.153 0.000 0.979 348 Q CB 1.329 30.144 28.738 0.130 0.000 1.152 348 Q HN -0.042 nan 8.270 nan 0.000 0.525 349 R N -0.577 120.051 120.500 0.214 0.000 2.532 349 R HA 0.602 4.943 4.340 0.001 0.000 0.295 349 R C -0.473 175.942 176.300 0.192 0.000 0.968 349 R CA 0.493 56.753 56.100 0.266 0.000 0.916 349 R CB 0.862 31.308 30.300 0.243 0.000 1.124 349 R HN 0.817 nan 8.270 nan 0.000 0.463 350 G N 2.468 111.360 108.800 0.153 0.000 2.373 350 G HA2 -0.233 3.727 3.960 0.001 0.000 0.634 350 G HA3 -0.233 3.727 3.960 0.001 0.000 0.634 350 G C -0.197 174.643 174.900 -0.099 0.000 1.267 350 G CA -0.196 44.943 45.100 0.065 0.000 1.008 350 G HN 0.559 nan 8.290 nan 0.000 0.497 351 F N 0.080 119.897 119.950 -0.221 0.000 2.025 351 F HA -0.067 4.461 4.527 0.001 0.000 0.297 351 F C 2.609 178.174 175.800 -0.391 0.000 1.132 351 F CA 2.971 60.760 58.000 -0.352 0.000 1.191 351 F CB -0.503 38.269 39.000 -0.379 0.000 0.963 351 F HN 0.464 nan 8.300 nan 0.000 0.481 352 Y N 0.137 120.323 120.300 -0.189 0.000 2.181 352 Y HA -0.104 4.447 4.550 0.001 0.000 0.288 352 Y C -0.480 175.239 175.900 -0.302 0.000 1.146 352 Y CA 1.765 59.662 58.100 -0.337 0.000 1.164 352 Y CB -2.193 36.188 38.460 -0.132 0.000 0.982 352 Y HN 0.137 nan 8.280 nan 0.000 0.515 353 P HA -0.202 nan 4.420 nan 0.000 0.216 353 P C 1.544 178.727 177.300 -0.195 0.000 1.150 353 P CA 1.949 65.047 63.100 -0.003 0.000 0.837 353 P CB -0.120 31.652 31.700 0.119 0.000 0.786 354 M N -1.816 117.455 119.600 -0.548 0.000 2.200 354 M HA -0.099 4.382 4.480 0.001 0.000 0.265 354 M C 1.926 177.931 176.300 -0.492 0.000 1.066 354 M CA 1.327 56.214 55.300 -0.688 0.000 1.127 354 M CB -0.753 31.348 32.600 -0.833 0.000 1.379 354 M HN -0.202 nan 8.290 nan 0.000 0.420 355 V N 0.587 120.139 119.914 -0.603 0.000 2.295 355 V HA -0.261 3.860 4.120 0.001 0.000 0.246 355 V C 2.670 178.638 176.094 -0.210 0.000 1.049 355 V CA 2.059 64.049 62.300 -0.517 0.000 1.024 355 V CB -1.148 30.130 31.823 -0.908 0.000 0.648 355 V HN 0.511 nan 8.190 nan 0.000 0.447 356 A N 0.035 122.780 122.820 -0.124 0.000 1.883 356 A HA -0.200 4.121 4.320 0.001 0.000 0.217 356 A C 2.440 180.024 177.584 0.000 0.000 1.186 356 A CA 2.401 54.471 52.037 0.055 0.000 0.624 356 A CB -0.893 18.160 19.000 0.088 0.000 0.822 356 A HN 0.591 nan 8.150 nan 0.000 0.444 357 A N -0.980 121.823 122.820 -0.029 0.000 1.877 357 A HA -0.241 4.080 4.320 0.001 0.000 0.216 357 A C 2.215 179.722 177.584 -0.127 0.000 1.186 357 A CA 1.971 53.996 52.037 -0.021 0.000 0.620 357 A CB -0.649 18.396 19.000 0.076 0.000 0.822 357 A HN 0.659 nan 8.150 nan 0.000 0.443 358 Q N -0.987 118.653 119.800 -0.266 0.000 2.124 358 Q HA -0.229 4.111 4.340 0.001 0.000 0.202 358 Q C 2.239 177.981 176.000 -0.431 0.000 0.977 358 Q CA 1.785 57.273 55.803 -0.526 0.000 0.850 358 Q CB -0.083 28.078 28.738 -0.962 0.000 0.901 358 Q HN 0.509 nan 8.270 nan 0.000 0.429 359 R N 1.080 121.534 120.500 -0.077 0.000 2.081 359 R HA -0.123 4.217 4.340 0.001 0.000 0.235 359 R C 1.887 178.239 176.300 0.086 0.000 1.131 359 R CA 1.932 58.177 56.100 0.242 0.000 0.960 359 R CB -0.557 29.959 30.300 0.360 0.000 0.856 359 R HN 0.587 nan 8.270 nan 0.000 0.436 360 I N -3.104 117.464 120.570 -0.004 0.000 3.812 360 I HA 0.399 4.570 4.170 0.001 0.000 0.320 360 I C 0.696 176.794 176.117 -0.033 0.000 1.276 360 I CA 0.455 61.738 61.300 -0.028 0.000 1.164 360 I CB -0.121 37.825 38.000 -0.090 0.000 1.009 360 I HN 0.281 nan 8.210 nan 0.000 0.431 361 G N 1.602 110.360 108.800 -0.071 0.000 2.198 361 G HA2 -0.264 3.696 3.960 0.001 0.000 0.260 361 G HA3 -0.264 3.696 3.960 0.001 0.000 0.260 361 G C -0.240 174.627 174.900 -0.055 0.000 1.025 361 G CA 0.230 45.281 45.100 -0.081 0.000 0.769 361 G HN 0.688 nan 8.290 nan 0.000 0.507 362 E N -0.456 119.718 120.200 -0.043 0.000 2.221 362 E HA 0.463 4.813 4.350 0.001 0.000 0.268 362 E C 0.004 176.593 176.600 -0.019 0.000 0.933 362 E CA -0.830 55.565 56.400 -0.010 0.000 0.809 362 E CB 1.529 31.256 29.700 0.044 0.000 1.190 362 E HN 0.363 nan 8.360 nan 0.000 0.406 363 E N 1.860 122.051 120.200 -0.014 0.000 2.316 363 E HA -0.010 4.341 4.350 0.001 0.000 0.275 363 E C -1.277 175.332 176.600 0.016 0.000 1.029 363 E CA -0.274 56.122 56.400 -0.007 0.000 0.871 363 E CB 0.510 30.200 29.700 -0.016 0.000 1.022 363 E HN 0.400 nan 8.360 nan 0.000 0.418 364 Y N 3.659 123.911 120.300 -0.080 0.000 2.359 364 Y HA 0.085 4.635 4.550 0.001 0.000 0.330 364 Y C -0.423 175.433 175.900 -0.072 0.000 1.143 364 Y CA 0.003 58.057 58.100 -0.076 0.000 1.318 364 Y CB 0.739 39.137 38.460 -0.102 0.000 1.234 364 Y HN 0.502 nan 8.280 nan 0.000 0.522 365 E N 6.934 126.646 120.200 -0.813 0.000 2.081 365 E HA 0.247 4.598 4.350 0.001 0.000 0.281 365 E C -0.980 175.138 176.600 -0.803 0.000 0.986 365 E CA -0.460 55.577 56.400 -0.606 0.000 0.796 365 E CB 0.932 30.405 29.700 -0.379 0.000 1.085 365 E HN 0.626 nan 8.360 nan 0.000 0.398 366 L N 3.759 124.688 121.223 -0.489 0.000 2.360 366 L HA 0.176 4.517 4.340 0.001 0.000 0.276 366 L C 0.455 177.158 176.870 -0.278 0.000 1.121 366 L CA -0.078 54.561 54.840 -0.334 0.000 0.845 366 L CB 0.458 42.230 42.059 -0.479 0.000 1.143 366 L HN 0.340 nan 8.230 nan 0.000 0.452 367 K N 5.456 125.755 120.400 -0.168 0.000 2.262 367 K HA 0.454 4.774 4.320 0.001 0.000 0.282 367 K C -0.865 175.673 176.600 -0.103 0.000 1.066 367 K CA -0.336 55.881 56.287 -0.117 0.000 0.901 367 K CB 0.523 32.989 32.500 -0.056 0.000 1.089 367 K HN 0.522 nan 8.250 nan 0.000 0.476 368 I N 4.484 124.986 120.570 -0.112 0.000 2.437 368 I HA 0.149 4.320 4.170 0.001 0.000 0.279 368 I C -0.772 175.264 176.117 -0.135 0.000 1.028 368 I CA -0.993 60.252 61.300 -0.092 0.000 1.142 368 I CB 1.463 39.439 38.000 -0.040 0.000 1.266 368 I HN 0.539 nan 8.210 nan 0.000 0.461 369 D N 6.734 126.992 120.400 -0.237 0.000 2.304 369 D HA 0.274 4.915 4.640 0.001 0.000 0.250 369 D C -0.013 175.952 176.300 -0.558 0.000 1.107 369 D CA -0.050 53.708 54.000 -0.404 0.000 0.885 369 D CB 1.316 41.774 40.800 -0.570 0.000 1.192 369 D HN 0.332 nan 8.370 nan 0.000 0.436 370 K N 0.851 121.050 120.400 -0.336 0.000 2.110 370 K HA 0.668 4.989 4.320 0.001 0.000 0.263 370 K C -0.069 176.484 176.600 -0.078 0.000 0.975 370 K CA -0.859 55.312 56.287 -0.194 0.000 0.895 370 K CB 1.668 34.118 32.500 -0.084 0.000 1.060 370 K HN 0.426 nan 8.250 nan 0.000 0.448 371 A N 3.021 125.876 122.820 0.059 0.000 2.296 371 A HA 0.364 4.684 4.320 0.001 0.000 0.264 371 A C -2.194 175.429 177.584 0.065 0.000 1.097 371 A CA -1.169 50.957 52.037 0.148 0.000 0.811 371 A CB -0.474 18.591 19.000 0.110 0.000 1.072 371 A HN 0.455 nan 8.150 nan 0.000 0.495 372 P HA 0.050 nan 4.420 nan 0.000 0.268 372 P C 0.491 177.808 177.300 0.030 0.000 1.208 372 P CA -0.173 62.948 63.100 0.035 0.000 0.777 372 P CB 0.428 32.145 31.700 0.028 0.000 0.875 373 Q N 0.570 120.383 119.800 0.021 0.000 2.124 373 Q HA -0.052 4.289 4.340 0.001 0.000 0.202 373 Q C 0.093 176.109 176.000 0.025 0.000 0.977 373 Q CA 1.485 57.300 55.803 0.020 0.000 0.850 373 Q CB -0.285 28.461 28.738 0.013 0.000 0.901 373 Q HN 0.521 nan 8.270 nan 0.000 0.429 374 N N 0.923 119.638 118.700 0.025 0.000 2.437 374 N HA 0.090 4.830 4.740 0.001 0.000 0.259 374 N C 0.721 176.255 175.510 0.038 0.000 0.983 374 N CA 0.048 53.115 53.050 0.028 0.000 0.937 374 N CB 2.040 40.537 38.487 0.017 0.000 1.122 374 N HN -0.022 nan 8.380 nan 0.000 0.499 375 V N -1.600 118.353 119.914 0.064 0.000 3.660 375 V HA 0.200 4.321 4.120 0.001 0.000 0.276 375 V C 0.143 176.282 176.094 0.076 0.000 1.317 375 V CA 0.211 62.566 62.300 0.092 0.000 1.097 375 V CB 0.034 31.957 31.823 0.167 0.000 0.863 375 V HN 0.246 nan 8.190 nan 0.000 0.438 376 D N 3.226 123.661 120.400 0.058 0.000 2.339 376 D HA 0.517 5.157 4.640 0.001 0.000 0.256 376 D C 0.451 176.738 176.300 -0.022 0.000 1.214 376 D CA 0.775 54.786 54.000 0.019 0.000 0.877 376 D CB 1.543 42.365 40.800 0.037 0.000 1.111 376 D HN 0.710 nan 8.370 nan 0.000 0.478 377 S N 0.003 115.665 115.700 -0.065 0.000 2.732 377 S HA 0.666 5.137 4.470 0.001 0.000 0.293 377 S C 0.987 175.539 174.600 -0.080 0.000 1.159 377 S CA -0.554 57.607 58.200 -0.065 0.000 0.847 377 S CB 1.518 64.674 63.200 -0.074 0.000 1.169 377 S HN 0.228 nan 8.310 nan 0.000 0.501 378 A N 0.186 122.964 122.820 -0.069 0.000 1.972 378 A HA 0.113 4.434 4.320 0.001 0.000 0.219 378 A C 1.947 179.479 177.584 -0.088 0.000 1.169 378 A CA 1.165 53.162 52.037 -0.066 0.000 0.635 378 A CB -1.215 17.752 19.000 -0.055 0.000 0.810 378 A HN 0.751 nan 8.150 nan 0.000 0.446 379 L N -0.111 121.045 121.223 -0.110 0.000 2.191 379 L HA -0.128 4.212 4.340 0.001 0.000 0.212 379 L C 2.644 179.410 176.870 -0.174 0.000 1.103 379 L CA 1.659 56.417 54.840 -0.137 0.000 0.769 379 L CB -0.604 41.360 42.059 -0.159 0.000 0.908 379 L HN 0.650 nan 8.230 nan 0.000 0.438 380 T N -4.831 109.587 114.554 -0.227 0.000 3.081 380 T HA 0.005 4.355 4.350 0.001 0.000 0.250 380 T C 1.387 175.968 174.700 -0.198 0.000 1.100 380 T CA 0.098 61.972 62.100 -0.378 0.000 1.038 380 T CB 0.204 68.644 68.868 -0.713 0.000 0.962 380 T HN 0.350 nan 8.240 nan 0.000 0.516 381 Q N 0.541 120.277 119.800 -0.107 0.000 2.194 381 Q HA 0.385 4.725 4.340 0.001 0.000 0.214 381 Q C 1.017 176.999 176.000 -0.030 0.000 0.838 381 Q CA -0.458 55.318 55.803 -0.046 0.000 0.972 381 Q CB 1.044 29.761 28.738 -0.035 0.000 1.131 381 Q HN 0.614 nan 8.270 nan 0.000 0.498 382 G N 1.239 110.016 108.800 -0.039 0.000 2.535 382 G HA2 0.226 4.186 3.960 0.001 0.000 0.303 382 G HA3 0.226 4.186 3.960 0.001 0.000 0.303 382 G C -1.811 173.080 174.900 -0.015 0.000 1.237 382 G CA -1.067 44.015 45.100 -0.029 0.000 0.986 382 G HN -0.124 nan 8.290 nan 0.000 0.494 383 P HA -0.095 nan 4.420 nan 0.000 0.218 383 P C 1.212 178.510 177.300 -0.004 0.000 1.149 383 P CA 1.154 64.246 63.100 -0.012 0.000 0.817 383 P CB 0.335 32.025 31.700 -0.016 0.000 0.785 384 E N -0.667 119.529 120.200 -0.006 0.000 2.072 384 E HA -0.178 4.173 4.350 0.001 0.000 0.191 384 E C 2.079 178.707 176.600 0.048 0.000 0.985 384 E CA 0.971 57.379 56.400 0.012 0.000 0.801 384 E CB -0.396 29.300 29.700 -0.007 0.000 0.750 384 E HN -0.062 nan 8.360 nan 0.000 0.452 385 M N 0.568 120.199 119.600 0.052 0.000 2.159 385 M HA -0.038 4.442 4.480 0.001 0.000 0.263 385 M C 1.959 178.331 176.300 0.119 0.000 1.063 385 M CA 1.784 57.160 55.300 0.125 0.000 1.110 385 M CB -0.301 32.353 32.600 0.089 0.000 1.374 385 M HN 0.180 nan 8.290 nan 0.000 0.411 386 A N 0.065 122.919 122.820 0.057 0.000 1.933 386 A HA -0.173 4.148 4.320 0.001 0.000 0.218 386 A C 2.268 179.835 177.584 -0.029 0.000 1.175 386 A CA 1.737 53.787 52.037 0.021 0.000 0.628 386 A CB -0.617 18.374 19.000 -0.015 0.000 0.814 386 A HN 0.593 nan 8.150 nan 0.000 0.444 387 R N -0.761 119.730 120.500 -0.016 0.000 2.075 387 R HA -0.054 4.287 4.340 0.001 0.000 0.232 387 R C 2.047 178.322 176.300 -0.042 0.000 1.126 387 R CA 1.342 57.430 56.100 -0.021 0.000 0.963 387 R CB -0.600 29.745 30.300 0.076 0.000 0.858 387 R HN 0.394 nan 8.270 nan 0.000 0.435 388 V N 1.348 121.247 119.914 -0.024 0.000 2.332 388 V HA -0.292 3.828 4.120 0.001 0.000 0.248 388 V C 2.559 178.442 176.094 -0.353 0.000 1.055 388 V CA 1.955 64.166 62.300 -0.148 0.000 1.038 388 V CB -0.603 31.202 31.823 -0.030 0.000 0.651 388 V HN 0.342 nan 8.190 nan 0.000 0.450 389 R N -0.082 120.316 120.500 -0.170 0.000 2.083 389 R HA -0.196 4.145 4.340 0.001 0.000 0.237 389 R C 2.311 178.557 176.300 -0.089 0.000 1.137 389 R CA 1.824 57.889 56.100 -0.058 0.000 0.951 389 R CB -0.188 30.231 30.300 0.198 0.000 0.851 389 R HN 0.472 nan 8.270 nan 0.000 0.434 390 E N 0.837 120.983 120.200 -0.090 0.000 2.072 390 E HA -0.172 4.178 4.350 0.001 0.000 0.191 390 E C 2.151 178.779 176.600 0.046 0.000 0.985 390 E CA 1.063 57.435 56.400 -0.046 0.000 0.801 390 E CB -0.303 29.335 29.700 -0.105 0.000 0.750 390 E HN 0.416 nan 8.360 nan 0.000 0.452 391 L N 0.136 121.341 121.223 -0.030 0.000 2.083 391 L HA -0.176 4.165 4.340 0.001 0.000 0.209 391 L C 2.495 179.321 176.870 -0.074 0.000 1.083 391 L CA 0.876 55.706 54.840 -0.017 0.000 0.752 391 L CB -0.394 41.591 42.059 -0.123 0.000 0.899 391 L HN 0.145 nan 8.230 nan 0.000 0.433 392 M N -1.484 117.958 119.600 -0.265 0.000 2.200 392 M HA -0.203 4.278 4.480 0.001 0.000 0.265 392 M C 2.326 178.539 176.300 -0.144 0.000 1.066 392 M CA 1.547 56.639 55.300 -0.346 0.000 1.127 392 M CB -1.104 30.959 32.600 -0.895 0.000 1.379 392 M HN 0.199 nan 8.290 nan 0.000 0.420 393 Y N -0.628 119.527 120.300 -0.242 0.000 2.207 393 Y HA -0.232 4.319 4.550 0.001 0.000 0.287 393 Y C 1.438 177.141 175.900 -0.328 0.000 1.156 393 Y CA 1.587 59.492 58.100 -0.325 0.000 1.182 393 Y CB -0.456 37.697 38.460 -0.512 0.000 0.979 393 Y HN 0.197 nan 8.280 nan 0.000 0.521 394 W N 1.143 122.438 121.300 -0.009 0.000 3.345 394 W HA 0.148 4.808 4.660 0.001 0.000 0.282 394 W C 0.301 176.773 176.519 -0.079 0.000 1.302 394 W CA 0.182 57.494 57.345 -0.055 0.000 1.724 394 W CB -0.109 29.400 29.460 0.082 0.000 1.104 394 W HN -0.001 nan 8.180 nan 0.000 0.694 395 N N 0.602 119.339 118.700 0.061 0.000 2.735 395 N HA -0.201 4.540 4.740 0.001 0.000 0.248 395 N C -0.554 174.986 175.510 0.050 0.000 1.083 395 N CA 0.985 54.056 53.050 0.034 0.000 0.703 395 N CB -1.800 36.710 38.487 0.039 0.000 1.005 395 N HN 0.291 nan 8.380 nan 0.000 0.550 396 L N 0.483 121.735 121.223 0.048 0.000 2.719 396 L HA 0.145 4.485 4.340 0.001 0.000 0.236 396 L C 1.002 177.857 176.870 -0.024 0.000 1.285 396 L CA -0.413 54.438 54.840 0.018 0.000 1.222 396 L CB 0.159 42.228 42.059 0.017 0.000 1.493 396 L HN -0.077 nan 8.230 nan 0.000 0.415 397 D N -0.131 120.261 120.400 -0.013 0.000 2.149 397 D HA -0.180 4.460 4.640 0.001 0.000 0.198 397 D C 1.753 178.050 176.300 -0.006 0.000 0.990 397 D CA 1.175 55.161 54.000 -0.023 0.000 0.839 397 D CB 0.158 40.973 40.800 0.024 0.000 0.948 397 D HN 0.340 nan 8.370 nan 0.000 0.460 398 N N -0.329 118.380 118.700 0.014 0.000 2.188 398 N HA -0.071 4.670 4.740 0.001 0.000 0.184 398 N C 1.684 177.208 175.510 0.023 0.000 1.018 398 N CA 1.025 54.091 53.050 0.027 0.000 0.858 398 N CB -0.391 38.115 38.487 0.031 0.000 0.989 398 N HN 0.188 nan 8.380 nan 0.000 0.426 399 T N 0.920 115.474 114.554 0.000 0.000 2.812 399 T HA 0.022 4.373 4.350 0.001 0.000 0.264 399 T C 2.015 176.720 174.700 0.008 0.000 1.042 399 T CA 1.162 63.260 62.100 -0.002 0.000 1.140 399 T CB -0.231 68.590 68.868 -0.078 0.000 0.870 399 T HN 0.296 nan 8.240 nan 0.000 0.445 400 A N 1.857 124.655 122.820 -0.037 0.000 1.933 400 A HA -0.089 4.232 4.320 0.001 0.000 0.218 400 A C 2.290 179.889 177.584 0.025 0.000 1.175 400 A CA 1.687 53.689 52.037 -0.058 0.000 0.628 400 A CB -0.609 18.275 19.000 -0.193 0.000 0.814 400 A HN 0.425 nan 8.150 nan 0.000 0.444 401 R N 0.001 120.522 120.500 0.035 0.000 2.091 401 R HA -0.139 4.201 4.340 0.001 0.000 0.238 401 R C 2.183 178.575 176.300 0.154 0.000 1.136 401 R CA 1.999 58.164 56.100 0.108 0.000 0.959 401 R CB -0.336 30.018 30.300 0.089 0.000 0.856 401 R HN 0.477 nan 8.270 nan 0.000 0.437 402 S N 0.650 116.416 115.700 0.110 0.000 2.368 402 S HA -0.098 4.373 4.470 0.001 0.000 0.225 402 S C 1.607 176.273 174.600 0.110 0.000 1.030 402 S CA 1.149 59.409 58.200 0.100 0.000 0.999 402 S CB -0.124 63.123 63.200 0.079 0.000 0.844 402 S HN 0.401 nan 8.310 nan 0.000 0.459 403 E N 0.314 120.592 120.200 0.131 0.000 2.047 403 E HA -0.132 4.219 4.350 0.001 0.000 0.191 403 E C 1.772 178.478 176.600 0.177 0.000 0.987 403 E CA 0.632 57.112 56.400 0.133 0.000 0.799 403 E CB -0.286 29.498 29.700 0.140 0.000 0.752 403 E HN 0.681 nan 8.360 nan 0.000 0.449 404 W N 1.366 122.662 121.300 -0.007 0.000 2.363 404 W HA -0.188 4.472 4.660 0.001 0.000 0.296 404 W C 2.154 178.681 176.519 0.012 0.000 1.212 404 W CA 1.535 58.883 57.345 0.005 0.000 1.260 404 W CB 0.029 29.497 29.460 0.014 0.000 1.131 404 W HN 0.039 nan 8.180 nan 0.000 0.530 405 A N 0.975 123.891 122.820 0.160 0.000 1.908 405 A HA -0.280 4.040 4.320 0.001 0.000 0.218 405 A C 1.700 179.258 177.584 -0.043 0.000 1.181 405 A CA 2.037 54.102 52.037 0.047 0.000 0.627 405 A CB -1.090 17.958 19.000 0.080 0.000 0.818 405 A HN 0.338 nan 8.150 nan 0.000 0.445 406 N N -0.450 118.233 118.700 -0.029 0.000 2.188 406 N HA -0.090 4.650 4.740 0.001 0.000 0.184 406 N C 1.506 176.943 175.510 -0.121 0.000 1.018 406 N CA 1.153 54.167 53.050 -0.060 0.000 0.858 406 N CB -0.504 37.962 38.487 -0.037 0.000 0.989 406 N HN 0.364 nan 8.380 nan 0.000 0.426 407 L N 0.939 122.058 121.223 -0.173 0.000 2.093 407 L HA -0.061 4.279 4.340 0.001 0.000 0.208 407 L C 2.021 178.672 176.870 -0.366 0.000 1.085 407 L CA 1.188 55.865 54.840 -0.272 0.000 0.755 407 L CB -0.531 41.327 42.059 -0.334 0.000 0.904 407 L HN 0.141 nan 8.230 nan 0.000 0.435 408 V N -3.411 116.235 119.914 -0.447 0.000 3.235 408 V HA 0.018 4.138 4.120 0.001 0.000 0.259 408 V C 1.332 177.293 176.094 -0.222 0.000 1.133 408 V CA 0.043 62.107 62.300 -0.393 0.000 1.128 408 V CB -0.936 30.610 31.823 -0.462 0.000 0.757 408 V HN 0.294 nan 8.190 nan 0.000 0.469 409 K N 1.134 121.433 120.400 -0.168 0.000 2.401 409 K HA 0.183 4.504 4.320 0.001 0.000 0.278 409 K C 0.785 177.326 176.600 -0.099 0.000 1.018 409 K CA 0.954 57.177 56.287 -0.107 0.000 0.981 409 K CB 0.357 32.812 32.500 -0.075 0.000 0.933 409 K HN 0.535 nan 8.250 nan 0.000 0.477 410 S N 1.172 116.824 115.700 -0.080 0.000 3.476 410 S HA -0.115 4.355 4.470 0.001 0.000 0.309 410 S C -0.449 174.102 174.600 -0.081 0.000 1.222 410 S CA 1.022 59.180 58.200 -0.070 0.000 0.922 410 S CB -0.964 62.200 63.200 -0.059 0.000 1.023 410 S HN 0.634 nan 8.310 nan 0.000 0.591 411 K N 1.918 122.257 120.400 -0.102 0.000 2.132 411 K HA 0.610 4.931 4.320 0.001 0.000 0.241 411 K C 0.836 177.377 176.600 -0.097 0.000 1.000 411 K CA -0.302 55.920 56.287 -0.107 0.000 0.911 411 K CB 0.898 33.314 32.500 -0.140 0.000 1.093 411 K HN 0.401 nan 8.250 nan 0.000 0.460 412 S N -0.047 115.600 115.700 -0.088 0.000 2.600 412 S HA 0.141 4.612 4.470 0.001 0.000 0.265 412 S C 1.086 175.629 174.600 -0.096 0.000 1.325 412 S CA -0.298 57.855 58.200 -0.079 0.000 1.002 412 S CB 0.944 64.106 63.200 -0.064 0.000 0.921 412 S HN 0.478 nan 8.310 nan 0.000 0.554 413 K N 0.366 120.710 120.400 -0.093 0.000 2.097 413 K HA -0.099 4.221 4.320 0.001 0.000 0.206 413 K C 2.138 178.669 176.600 -0.115 0.000 1.049 413 K CA 1.769 57.985 56.287 -0.119 0.000 0.933 413 K CB -0.722 31.715 32.500 -0.105 0.000 0.717 413 K HN 0.742 nan 8.250 nan 0.000 0.442 414 T N 1.022 115.530 114.554 -0.077 0.000 2.708 414 T HA -0.129 4.221 4.350 0.001 0.000 0.266 414 T C 1.534 176.193 174.700 -0.067 0.000 1.037 414 T CA 1.328 63.394 62.100 -0.057 0.000 1.146 414 T CB -0.108 68.739 68.868 -0.035 0.000 0.865 414 T HN 0.345 nan 8.240 nan 0.000 0.435 415 E N 0.996 121.148 120.200 -0.080 0.000 2.077 415 E HA -0.150 4.201 4.350 0.001 0.000 0.193 415 E C 2.494 179.026 176.600 -0.114 0.000 0.989 415 E CA 0.957 57.302 56.400 -0.092 0.000 0.800 415 E CB -0.126 29.512 29.700 -0.103 0.000 0.746 415 E HN 0.558 nan 8.360 nan 0.000 0.452 416 Q N 0.113 119.832 119.800 -0.135 0.000 2.170 416 Q HA -0.113 4.227 4.340 0.001 0.000 0.203 416 Q C 2.143 178.067 176.000 -0.128 0.000 0.976 416 Q CA 1.253 56.963 55.803 -0.155 0.000 0.858 416 Q CB -0.079 28.554 28.738 -0.175 0.000 0.907 416 Q HN 0.230 nan 8.270 nan 0.000 0.433 417 A N 0.775 123.506 122.820 -0.149 0.000 1.929 417 A HA -0.200 4.121 4.320 0.001 0.000 0.216 417 A C 1.941 179.511 177.584 -0.023 0.000 1.176 417 A CA 1.096 53.039 52.037 -0.157 0.000 0.628 417 A CB -0.277 18.601 19.000 -0.203 0.000 0.816 417 A HN 0.303 nan 8.150 nan 0.000 0.444 418 Q N -0.383 119.412 119.800 -0.009 0.000 2.084 418 Q HA -0.078 4.263 4.340 0.001 0.000 0.202 418 Q C 2.062 178.128 176.000 0.111 0.000 0.978 418 Q CA 1.392 57.221 55.803 0.043 0.000 0.844 418 Q CB -0.312 28.431 28.738 0.008 0.000 0.898 418 Q HN 0.660 nan 8.270 nan 0.000 0.426 419 L N 0.113 121.376 121.223 0.066 0.000 2.046 419 L HA -0.195 4.146 4.340 0.001 0.000 0.208 419 L C 2.519 179.657 176.870 0.446 0.000 1.077 419 L CA 0.941 55.885 54.840 0.173 0.000 0.747 419 L CB -0.600 41.368 42.059 -0.152 0.000 0.896 419 L HN 0.228 nan 8.230 nan 0.000 0.432 420 A N 0.133 123.122 122.820 0.283 0.000 1.883 420 A HA -0.269 4.051 4.320 0.001 0.000 0.217 420 A C 2.350 180.099 177.584 0.276 0.000 1.186 420 A CA 1.995 54.214 52.037 0.303 0.000 0.624 420 A CB -0.490 18.581 19.000 0.117 0.000 0.822 420 A HN 0.281 nan 8.150 nan 0.000 0.444 421 R N -1.650 118.968 120.500 0.197 0.000 2.092 421 R HA -0.111 4.230 4.340 0.001 0.000 0.231 421 R C 1.881 178.309 176.300 0.213 0.000 1.119 421 R CA 1.716 57.919 56.100 0.172 0.000 0.970 421 R CB -0.955 29.405 30.300 0.099 0.000 0.864 421 R HN 0.624 nan 8.270 nan 0.000 0.440 422 Y N 0.055 120.423 120.300 0.114 0.000 2.181 422 Y HA -0.123 4.427 4.550 0.001 0.000 0.288 422 Y C 2.002 177.846 175.900 -0.094 0.000 1.146 422 Y CA 1.871 59.992 58.100 0.035 0.000 1.164 422 Y CB -0.502 38.029 38.460 0.119 0.000 0.982 422 Y HN 0.157 nan 8.280 nan 0.000 0.515 423 A N -0.125 122.820 122.820 0.209 0.000 1.877 423 A HA -0.224 4.096 4.320 0.001 0.000 0.216 423 A C 2.195 179.627 177.584 -0.253 0.000 1.186 423 A CA 1.577 53.596 52.037 -0.031 0.000 0.620 423 A CB -1.584 17.484 19.000 0.113 0.000 0.822 423 A HN 0.647 nan 8.150 nan 0.000 0.443 424 F N 1.597 121.450 119.950 -0.163 0.000 2.095 424 F HA -0.247 4.281 4.527 0.001 0.000 0.298 424 F C 1.938 177.539 175.800 -0.331 0.000 1.104 424 F CA 2.179 60.091 58.000 -0.146 0.000 1.232 424 F CB -0.220 38.791 39.000 0.018 0.000 0.987 424 F HN 0.218 nan 8.300 nan 0.000 0.475 425 N N 0.500 119.082 118.700 -0.197 0.000 2.289 425 N HA -0.164 4.576 4.740 0.001 0.000 0.184 425 N C 0.975 176.087 175.510 -0.663 0.000 1.016 425 N CA 1.134 53.970 53.050 -0.357 0.000 0.872 425 N CB -0.606 37.720 38.487 -0.268 0.000 0.973 425 N HN 0.437 nan 8.380 nan 0.000 0.433 426 N N 1.098 119.217 118.700 -0.968 0.000 2.270 426 N HA 0.036 4.777 4.740 0.001 0.000 0.198 426 N C -0.384 174.389 175.510 -1.228 0.000 1.117 426 N CA 0.048 52.352 53.050 -1.242 0.000 0.845 426 N CB 0.391 37.620 38.487 -2.097 0.000 0.980 426 N HN 0.250 nan 8.380 nan 0.000 0.486 427 Q N -0.857 118.157 119.800 -1.310 0.000 2.494 427 Q HA -0.166 4.174 4.340 0.001 0.000 0.272 427 Q C -1.062 173.987 176.000 -1.587 0.000 1.145 427 Q CA 0.479 55.098 55.803 -1.973 0.000 0.943 427 Q CB -1.494 26.450 28.738 -1.324 0.000 1.338 427 Q HN 0.406 nan 8.270 nan 0.000 0.492 428 W N 0.274 120.939 121.300 -1.058 0.000 1.738 428 W HA 0.211 4.872 4.660 0.001 0.000 0.399 428 W C 0.556 176.791 176.519 -0.473 0.000 0.744 428 W CA -1.249 55.695 57.345 -0.668 0.000 1.695 428 W CB -1.412 27.730 29.460 -0.529 0.000 1.820 428 W HN 0.349 nan 8.180 nan 0.000 0.262 429 W N 0.987 122.266 121.300 -0.035 0.000 2.335 429 W HA -0.292 4.369 4.660 0.001 0.000 0.311 429 W C 2.088 178.678 176.519 0.119 0.000 1.213 429 W CA 1.441 58.758 57.345 -0.047 0.000 1.274 429 W CB -0.529 28.782 29.460 -0.248 0.000 1.148 429 W HN 0.106 nan 8.180 nan 0.000 0.498 430 D N 0.830 121.449 120.400 0.366 0.000 2.117 430 D HA -0.201 4.440 4.640 0.001 0.000 0.197 430 D C 1.853 178.228 176.300 0.126 0.000 0.987 430 D CA 1.518 55.691 54.000 0.288 0.000 0.829 430 D CB -1.232 39.711 40.800 0.237 0.000 0.961 430 D HN 0.227 nan 8.370 nan 0.000 0.460 431 L N 0.188 121.366 121.223 -0.075 0.000 2.093 431 L HA -0.108 4.233 4.340 0.001 0.000 0.208 431 L C 2.704 179.577 176.870 0.006 0.000 1.085 431 L CA 1.151 55.750 54.840 -0.402 0.000 0.755 431 L CB -0.618 40.755 42.059 -1.143 0.000 0.904 431 L HN 0.117 nan 8.230 nan 0.000 0.435 432 S N 0.037 115.816 115.700 0.132 0.000 2.356 432 S HA -0.153 4.318 4.470 0.001 0.000 0.223 432 S C 1.991 176.743 174.600 0.254 0.000 1.032 432 S CA 1.455 59.817 58.200 0.270 0.000 1.005 432 S CB -0.151 63.259 63.200 0.350 0.000 0.867 432 S HN 0.175 nan 8.310 nan 0.000 0.449 433 V N 1.916 121.975 119.914 0.242 0.000 2.343 433 V HA -0.175 3.946 4.120 0.001 0.000 0.247 433 V C 2.697 178.906 176.094 0.192 0.000 1.051 433 V CA 2.247 64.654 62.300 0.179 0.000 1.036 433 V CB -0.884 31.058 31.823 0.197 0.000 0.654 433 V HN 0.604 nan 8.190 nan 0.000 0.451 434 Q N -0.163 119.784 119.800 0.244 0.000 2.135 434 Q HA -0.228 4.113 4.340 0.001 0.000 0.204 434 Q C 2.232 178.407 176.000 0.292 0.000 0.981 434 Q CA 1.994 57.966 55.803 0.282 0.000 0.856 434 Q CB -0.234 28.715 28.738 0.352 0.000 0.902 434 Q HN 0.653 nan 8.270 nan 0.000 0.425 435 A N 0.221 123.281 122.820 0.399 0.000 1.930 435 A HA -0.159 4.161 4.320 0.001 0.000 0.217 435 A C 2.218 179.830 177.584 0.047 0.000 1.175 435 A CA 1.833 54.017 52.037 0.245 0.000 0.627 435 A CB -0.997 18.229 19.000 0.378 0.000 0.815 435 A HN 0.661 nan 8.150 nan 0.000 0.443 436 T N -1.540 113.041 114.554 0.045 0.000 2.867 436 T HA -0.060 4.291 4.350 0.001 0.000 0.268 436 T C 1.792 176.384 174.700 -0.180 0.000 1.057 436 T CA 1.466 63.512 62.100 -0.090 0.000 1.136 436 T CB -0.540 68.308 68.868 -0.033 0.000 0.874 436 T HN 0.346 nan 8.240 nan 0.000 0.466 437 I N 1.698 122.268 120.570 0.000 0.000 2.286 437 I HA -0.000 4.170 4.170 0.001 0.000 0.245 437 I C 3.223 179.304 176.117 -0.061 0.000 1.104 437 I CA 1.011 62.350 61.300 0.065 0.000 1.397 437 I CB -0.592 37.550 38.000 0.237 0.000 1.072 437 I HN 0.327 nan 8.210 nan 0.000 0.417 438 A N 0.729 123.529 122.820 -0.034 0.000 1.940 438 A HA -0.137 4.183 4.320 0.001 0.000 0.219 438 A C 2.264 179.757 177.584 -0.151 0.000 1.176 438 A CA 2.000 53.999 52.037 -0.062 0.000 0.631 438 A CB -1.230 17.736 19.000 -0.057 0.000 0.814 438 A HN 0.480 nan 8.150 nan 0.000 0.446 439 G N -1.797 106.865 108.800 -0.229 0.000 3.042 439 G HA2 0.258 4.219 3.960 0.001 0.000 0.212 439 G HA3 0.258 4.219 3.960 0.001 0.000 0.212 439 G C 0.540 175.175 174.900 -0.441 0.000 1.166 439 G CA 0.318 45.249 45.100 -0.282 0.000 0.767 439 G HN 0.495 nan 8.290 nan 0.000 0.546 440 K N -0.575 119.402 120.400 -0.705 0.000 3.077 440 K HA -0.157 4.164 4.320 0.001 0.000 0.264 440 K C 0.016 175.811 176.600 -1.342 0.000 1.008 440 K CA 0.136 55.566 56.287 -1.427 0.000 0.740 440 K CB -1.630 30.437 32.500 -0.721 0.000 1.273 440 K HN 0.329 nan 8.250 nan 0.000 0.477 441 L N 0.199 120.887 121.223 -0.892 0.000 2.583 441 L HA 0.094 4.434 4.340 0.001 0.000 0.239 441 L C 1.324 178.118 176.870 -0.126 0.000 1.347 441 L CA -0.298 54.279 54.840 -0.439 0.000 1.246 441 L CB -0.585 41.166 42.059 -0.512 0.000 1.496 441 L HN 0.317 nan 8.230 nan 0.000 0.413 442 W N -0.477 120.881 121.300 0.097 0.000 2.392 442 W HA -0.130 4.530 4.660 0.001 0.000 0.279 442 W C 1.480 178.073 176.519 0.124 0.000 1.225 442 W CA -0.158 57.254 57.345 0.112 0.000 1.233 442 W CB 0.113 29.642 29.460 0.116 0.000 1.122 442 W HN 0.403 nan 8.180 nan 0.000 0.561 443 D N -1.474 119.117 120.400 0.319 0.000 2.349 443 D HA -0.011 4.629 4.640 0.001 0.000 0.214 443 D C -0.190 176.170 176.300 0.100 0.000 1.063 443 D CA 0.620 54.731 54.000 0.184 0.000 0.847 443 D CB -0.258 40.610 40.800 0.114 0.000 0.933 443 D HN 0.188 nan 8.370 nan 0.000 0.513 444 H N 1.054 120.145 119.070 0.034 0.000 2.799 444 H HA 0.177 4.733 4.556 0.001 0.000 0.225 444 H C 1.651 176.975 175.328 -0.006 0.000 1.904 444 H CA -0.093 55.948 56.048 -0.013 0.000 1.344 444 H CB -0.430 29.300 29.762 -0.054 0.000 1.744 444 H HN 0.003 nan 8.280 nan 0.000 0.542 445 L N -0.215 121.075 121.223 0.111 0.000 2.079 445 L HA -0.215 4.126 4.340 0.001 0.000 0.210 445 L C 2.449 179.397 176.870 0.131 0.000 1.081 445 L CA 1.506 56.466 54.840 0.200 0.000 0.752 445 L CB -0.140 42.021 42.059 0.169 0.000 0.896 445 L HN 0.560 nan 8.230 nan 0.000 0.433 446 E N 0.438 120.597 120.200 -0.069 0.000 2.077 446 E HA -0.244 4.107 4.350 0.001 0.000 0.193 446 E C 1.943 178.230 176.600 -0.521 0.000 0.989 446 E CA 1.396 57.429 56.400 -0.611 0.000 0.800 446 E CB 0.201 29.575 29.700 -0.543 0.000 0.746 446 E HN 0.436 nan 8.360 nan 0.000 0.452 447 E N -0.099 119.885 120.200 -0.360 0.000 2.216 447 E HA -0.055 4.296 4.350 0.001 0.000 0.192 447 E C 1.927 178.490 176.600 -0.061 0.000 0.988 447 E CA 0.608 56.895 56.400 -0.189 0.000 0.834 447 E CB 0.069 29.706 29.700 -0.106 0.000 0.772 447 E HN 0.161 nan 8.360 nan 0.000 0.479 448 R N -0.590 119.796 120.500 -0.191 0.000 2.153 448 R HA 0.068 4.409 4.340 0.001 0.000 0.218 448 R C -0.012 175.748 176.300 -0.900 0.000 1.072 448 R CA 0.622 56.422 56.100 -0.501 0.000 0.990 448 R CB 0.183 30.082 30.300 -0.667 0.000 0.889 448 R HN 0.109 nan 8.270 nan 0.000 0.452 449 F N 1.455 121.377 119.950 -0.045 0.000 2.584 449 F HA 0.316 4.843 4.527 0.001 0.000 0.328 449 F C -2.194 173.517 175.800 -0.148 0.000 1.407 449 F CA -2.961 54.980 58.000 -0.099 0.000 1.145 449 F CB 0.957 39.754 39.000 -0.338 0.000 1.440 449 F HN -0.185 nan 8.300 nan 0.000 0.580 450 P HA 0.092 nan 4.420 nan 0.000 0.272 450 P C 0.045 177.134 177.300 -0.351 0.000 1.223 450 P CA -0.170 62.874 63.100 -0.093 0.000 0.784 450 P CB 1.669 33.331 31.700 -0.063 0.000 0.923 451 L N 1.373 122.275 121.223 -0.535 0.000 2.437 451 L HA 0.208 4.548 4.340 0.001 0.000 0.243 451 L C 1.145 177.365 176.870 -1.083 0.000 1.346 451 L CA -0.488 54.065 54.840 -0.479 0.000 1.233 451 L CB -0.863 41.055 42.059 -0.236 0.000 1.436 451 L HN 0.375 nan 8.230 nan 0.000 0.416 452 A N 0.696 122.573 122.820 -1.571 0.000 2.440 452 A HA 0.243 4.564 4.320 0.001 0.000 0.251 452 A C 0.181 177.313 177.584 -0.752 0.000 1.089 452 A CA -0.102 50.763 52.037 -1.953 0.000 0.779 452 A CB -0.302 17.189 19.000 -2.515 0.000 1.022 452 A HN 0.623 nan 8.150 nan 0.000 0.492 453 Y N 0.635 120.736 120.300 -0.331 0.000 3.305 453 Y HA -0.298 4.253 4.550 0.001 0.000 0.212 453 Y C 1.363 177.316 175.900 0.089 0.000 1.248 453 Y CA 0.940 59.036 58.100 -0.007 0.000 1.359 453 Y CB -2.349 36.149 38.460 0.063 0.000 1.407 453 Y HN 0.967 nan 8.280 nan 0.000 0.572 454 N N 0.827 119.548 118.700 0.036 0.000 2.036 454 N HA -0.198 4.543 4.740 0.001 0.000 0.195 454 N C 1.407 176.999 175.510 0.136 0.000 1.037 454 N CA 2.260 55.353 53.050 0.072 0.000 0.855 454 N CB -0.047 38.417 38.487 -0.038 0.000 1.033 454 N HN 0.455 nan 8.380 nan 0.000 0.423 455 D N -0.092 120.365 120.400 0.095 0.000 2.123 455 D HA -0.127 4.514 4.640 0.001 0.000 0.196 455 D C 2.039 178.403 176.300 0.107 0.000 0.992 455 D CA 0.747 54.798 54.000 0.084 0.000 0.833 455 D CB -0.313 40.523 40.800 0.061 0.000 0.954 455 D HN 0.361 nan 8.370 nan 0.000 0.455 456 L N -0.465 120.836 121.223 0.130 0.000 2.027 456 L HA -0.138 4.202 4.340 0.001 0.000 0.206 456 L C 2.397 179.338 176.870 0.119 0.000 1.074 456 L CA 0.781 55.694 54.840 0.122 0.000 0.745 456 L CB -0.366 41.706 42.059 0.023 0.000 0.898 456 L HN -0.054 nan 8.230 nan 0.000 0.433 457 F N 0.324 120.367 119.950 0.157 0.000 2.171 457 F HA -0.220 4.308 4.527 0.001 0.000 0.300 457 F C 2.627 178.484 175.800 0.095 0.000 1.090 457 F CA 1.470 59.543 58.000 0.121 0.000 1.293 457 F CB -0.374 38.664 39.000 0.063 0.000 1.013 457 F HN -0.016 nan 8.300 nan 0.000 0.486 458 K N 0.551 121.089 120.400 0.229 0.000 2.002 458 K HA -0.213 4.107 4.320 0.001 0.000 0.209 458 K C 2.447 179.088 176.600 0.068 0.000 1.048 458 K CA 1.385 57.749 56.287 0.128 0.000 0.930 458 K CB -0.196 32.355 32.500 0.085 0.000 0.714 458 K HN 0.087 nan 8.250 nan 0.000 0.438 459 R N -0.494 120.017 120.500 0.018 0.000 2.091 459 R HA -0.172 4.169 4.340 0.001 0.000 0.238 459 R C 1.634 177.789 176.300 -0.241 0.000 1.136 459 R CA 1.812 57.829 56.100 -0.138 0.000 0.959 459 R CB -0.256 29.904 30.300 -0.234 0.000 0.856 459 R HN 0.303 nan 8.270 nan 0.000 0.437 460 Y N -0.347 119.958 120.300 0.009 0.000 2.529 460 Y HA 0.006 4.557 4.550 0.001 0.000 0.290 460 Y C 1.876 177.802 175.900 0.043 0.000 1.177 460 Y CA 1.193 59.295 58.100 0.003 0.000 1.305 460 Y CB 0.600 39.024 38.460 -0.060 0.000 1.047 460 Y HN 0.257 nan 8.280 nan 0.000 0.522 461 T N -6.865 107.783 114.554 0.156 0.000 3.003 461 T HA 0.088 4.439 4.350 0.001 0.000 0.261 461 T C 1.846 176.598 174.700 0.087 0.000 1.003 461 T CA 0.419 62.599 62.100 0.133 0.000 0.917 461 T CB -0.172 68.781 68.868 0.142 0.000 1.084 461 T HN -0.017 nan 8.240 nan 0.000 0.522 462 S N 1.614 117.346 115.700 0.053 0.000 2.383 462 S HA 0.044 4.515 4.470 0.001 0.000 0.229 462 S C 1.977 176.602 174.600 0.042 0.000 1.030 462 S CA 1.397 59.618 58.200 0.035 0.000 1.002 462 S CB -0.657 62.545 63.200 0.004 0.000 0.829 462 S HN 0.780 nan 8.310 nan 0.000 0.467 463 G N 0.773 109.601 108.800 0.046 0.000 3.371 463 G HA2 0.252 4.213 3.960 0.001 0.000 0.248 463 G HA3 0.252 4.213 3.960 0.001 0.000 0.248 463 G C 0.094 175.052 174.900 0.097 0.000 1.161 463 G CA -0.285 44.852 45.100 0.061 0.000 0.796 463 G HN 0.305 nan 8.290 nan 0.000 0.539 464 K N -0.637 119.827 120.400 0.107 0.000 2.352 464 K HA 0.410 4.730 4.320 0.001 0.000 0.240 464 K C 0.199 176.875 176.600 0.127 0.000 1.017 464 K CA -0.721 55.648 56.287 0.138 0.000 0.851 464 K CB 2.162 34.753 32.500 0.152 0.000 1.261 464 K HN -0.083 nan 8.250 nan 0.000 0.451 465 E N 0.704 121.005 120.200 0.168 0.000 2.250 465 E HA 0.012 4.362 4.350 0.001 0.000 0.192 465 E C 0.403 177.058 176.600 0.091 0.000 0.986 465 E CA 0.158 56.676 56.400 0.198 0.000 0.849 465 E CB -0.034 29.858 29.700 0.321 0.000 0.797 465 E HN 0.449 nan 8.360 nan 0.000 0.482 466 I N 0.863 121.376 120.570 -0.097 0.000 2.683 466 I HA 0.112 4.283 4.170 0.001 0.000 0.286 466 I C -2.451 173.612 176.117 -0.091 0.000 1.175 466 I CA -1.940 59.128 61.300 -0.386 0.000 1.429 466 I CB -0.120 37.756 38.000 -0.207 0.000 1.371 466 I HN -0.334 nan 8.210 nan 0.000 0.569 467 P HA 0.023 nan 4.420 nan 0.000 0.271 467 P C 0.284 177.620 177.300 0.059 0.000 1.218 467 P CA -0.276 62.843 63.100 0.032 0.000 0.780 467 P CB 0.805 32.532 31.700 0.045 0.000 0.901 468 Q N 2.089 121.925 119.800 0.060 0.000 2.096 468 Q HA -0.213 4.127 4.340 0.001 0.000 0.204 468 Q C 1.779 177.758 176.000 -0.035 0.000 0.982 468 Q CA 2.553 58.388 55.803 0.053 0.000 0.850 468 Q CB -0.349 28.434 28.738 0.075 0.000 0.901 468 Q HN 0.589 nan 8.270 nan 0.000 0.422 469 S N -0.528 115.180 115.700 0.013 0.000 2.383 469 S HA -0.232 4.239 4.470 0.001 0.000 0.229 469 S C 1.866 176.462 174.600 -0.007 0.000 1.030 469 S CA 1.238 59.452 58.200 0.022 0.000 1.002 469 S CB -0.849 62.434 63.200 0.138 0.000 0.829 469 S HN 0.612 nan 8.310 nan 0.000 0.467 470 Y N 2.838 123.079 120.300 -0.098 0.000 2.163 470 Y HA 0.150 4.701 4.550 0.001 0.000 0.288 470 Y C 2.680 178.476 175.900 -0.172 0.000 1.136 470 Y CA 0.686 58.715 58.100 -0.118 0.000 1.147 470 Y CB -1.163 37.214 38.460 -0.139 0.000 0.987 470 Y HN 0.320 nan 8.280 nan 0.000 0.509 471 A N 0.340 122.955 122.820 -0.342 0.000 1.908 471 A HA -0.225 4.096 4.320 0.001 0.000 0.218 471 A C 2.330 179.586 177.584 -0.546 0.000 1.181 471 A CA 2.135 53.947 52.037 -0.374 0.000 0.627 471 A CB -0.822 18.171 19.000 -0.011 0.000 0.818 471 A HN 0.581 nan 8.150 nan 0.000 0.445 472 M N -0.656 118.500 119.600 -0.740 0.000 2.175 472 M HA -0.122 4.358 4.480 0.001 0.000 0.264 472 M C 2.528 178.451 176.300 -0.628 0.000 1.063 472 M CA 1.332 56.069 55.300 -0.938 0.000 1.119 472 M CB -0.400 31.537 32.600 -1.105 0.000 1.377 472 M HN 0.481 nan 8.290 nan 0.000 0.415 473 A N 0.779 123.364 122.820 -0.391 0.000 1.902 473 A HA -0.142 4.178 4.320 0.001 0.000 0.217 473 A C 2.076 179.559 177.584 -0.168 0.000 1.181 473 A CA 1.297 53.315 52.037 -0.033 0.000 0.623 473 A CB -0.726 18.333 19.000 0.099 0.000 0.818 473 A HN 0.373 nan 8.150 nan 0.000 0.443 474 I N -0.102 120.227 120.570 -0.402 0.000 2.179 474 I HA -0.268 3.903 4.170 0.001 0.000 0.242 474 I C 2.976 178.890 176.117 -0.338 0.000 1.088 474 I CA 1.582 62.623 61.300 -0.433 0.000 1.357 474 I CB -1.448 36.163 38.000 -0.648 0.000 1.051 474 I HN 0.386 nan 8.210 nan 0.000 0.409 475 A N 0.812 123.396 122.820 -0.393 0.000 1.902 475 A HA -0.259 4.062 4.320 0.001 0.000 0.217 475 A C 2.397 179.544 177.584 -0.729 0.000 1.181 475 A CA 1.994 53.767 52.037 -0.440 0.000 0.623 475 A CB -0.578 18.219 19.000 -0.339 0.000 0.818 475 A HN 0.331 nan 8.150 nan 0.000 0.443 476 R N 0.040 120.019 120.500 -0.868 0.000 2.091 476 R HA -0.196 4.144 4.340 0.001 0.000 0.238 476 R C 2.241 178.396 176.300 -0.242 0.000 1.136 476 R CA 2.315 57.955 56.100 -0.766 0.000 0.959 476 R CB -0.706 29.510 30.300 -0.141 0.000 0.856 476 R HN 0.539 nan 8.270 nan 0.000 0.437 477 Q N 0.359 120.148 119.800 -0.018 0.000 2.079 477 Q HA -0.107 4.234 4.340 0.001 0.000 0.200 477 Q C 1.644 177.663 176.000 0.031 0.000 0.974 477 Q CA 1.926 57.782 55.803 0.088 0.000 0.840 477 Q CB -0.103 28.548 28.738 -0.145 0.000 0.898 477 Q HN 0.408 nan 8.270 nan 0.000 0.430 478 E N -0.125 120.068 120.200 -0.012 0.000 2.047 478 E HA -0.080 4.270 4.350 0.001 0.000 0.191 478 E C 1.758 178.380 176.600 0.036 0.000 0.987 478 E CA 1.684 58.130 56.400 0.076 0.000 0.799 478 E CB -0.082 29.677 29.700 0.098 0.000 0.752 478 E HN 0.542 nan 8.360 nan 0.000 0.449 479 S N -1.445 114.221 115.700 -0.055 0.000 2.632 479 S HA 0.481 4.952 4.470 0.001 0.000 0.237 479 S C 1.050 175.643 174.600 -0.012 0.000 1.037 479 S CA 0.486 58.679 58.200 -0.013 0.000 1.009 479 S CB 1.009 64.213 63.200 0.007 0.000 0.974 479 S HN 0.236 nan 8.310 nan 0.000 0.544 480 A N 0.624 123.372 122.820 -0.120 0.000 2.832 480 A HA -0.197 4.123 4.320 0.001 0.000 0.280 480 A C 0.693 178.346 177.584 0.115 0.000 1.464 480 A CA 0.950 52.949 52.037 -0.063 0.000 0.804 480 A CB -2.862 16.177 19.000 0.065 0.000 1.020 480 A HN 1.318 nan 8.150 nan 0.000 0.563 481 W N -3.305 118.107 121.300 0.188 0.000 2.869 481 W HA -0.222 4.439 4.660 0.001 0.000 0.285 481 W C 0.446 177.126 176.519 0.267 0.000 1.098 481 W CA 0.572 58.077 57.345 0.267 0.000 0.571 481 W CB -1.745 27.905 29.460 0.318 0.000 2.131 481 W HN 0.985 nan 8.180 nan 0.000 1.367 482 N N 1.845 120.744 118.700 0.332 0.000 2.420 482 N HA 0.201 4.942 4.740 0.001 0.000 0.249 482 N C -0.680 174.952 175.510 0.204 0.000 1.033 482 N CA -2.051 51.148 53.050 0.248 0.000 0.944 482 N CB 1.079 39.662 38.487 0.160 0.000 1.113 482 N HN -0.126 nan 8.380 nan 0.000 0.502 483 P HA -0.041 nan 4.420 nan 0.000 0.233 483 P C 0.126 177.471 177.300 0.074 0.000 1.167 483 P CA 0.860 64.030 63.100 0.117 0.000 0.770 483 P CB 0.462 32.228 31.700 0.109 0.000 0.837 484 K N -0.462 119.987 120.400 0.082 0.000 2.358 484 K HA 0.171 4.492 4.320 0.001 0.000 0.197 484 K C 0.592 177.224 176.600 0.053 0.000 1.025 484 K CA -0.488 55.833 56.287 0.057 0.000 1.104 484 K CB 0.092 32.622 32.500 0.051 0.000 0.855 484 K HN 0.067 nan 8.250 nan 0.000 0.531 485 V N 2.197 122.149 119.914 0.064 0.000 2.614 485 V HA 0.101 4.222 4.120 0.001 0.000 0.291 485 V C -0.470 175.654 176.094 0.050 0.000 1.049 485 V CA -0.038 62.298 62.300 0.060 0.000 1.038 485 V CB 0.460 32.325 31.823 0.071 0.000 0.980 485 V HN 0.150 nan 8.190 nan 0.000 0.481 486 K N 4.670 125.096 120.400 0.043 0.000 2.397 486 K HA 0.493 4.813 4.320 0.001 0.000 0.253 486 K C -0.367 176.255 176.600 0.036 0.000 0.932 486 K CA -0.396 55.913 56.287 0.036 0.000 0.795 486 K CB 1.995 34.512 32.500 0.029 0.000 1.159 486 K HN 0.821 nan 8.250 nan 0.000 0.424 487 S N 1.411 117.132 115.700 0.034 0.000 2.645 487 S HA 0.250 4.721 4.470 0.001 0.000 0.266 487 S C -1.762 172.852 174.600 0.022 0.000 1.258 487 S CA -0.975 57.244 58.200 0.032 0.000 0.990 487 S CB 0.834 64.053 63.200 0.032 0.000 0.967 487 S HN 0.324 nan 8.310 nan 0.000 0.556 488 P HA -0.052 nan 4.420 nan 0.000 0.219 488 P C 1.239 178.543 177.300 0.006 0.000 1.146 488 P CA 0.955 64.063 63.100 0.014 0.000 0.808 488 P CB -0.244 31.464 31.700 0.012 0.000 0.779 489 V N -5.458 114.458 119.914 0.003 0.000 3.649 489 V HA 0.487 4.608 4.120 0.001 0.000 0.275 489 V C 1.412 177.503 176.094 -0.005 0.000 1.281 489 V CA 0.621 62.918 62.300 -0.005 0.000 1.143 489 V CB -0.830 30.986 31.823 -0.012 0.000 0.892 489 V HN 0.283 nan 8.190 nan 0.000 0.441 490 G N -0.262 108.539 108.800 0.003 0.000 2.163 490 G HA2 -0.033 3.928 3.960 0.001 0.000 0.213 490 G HA3 -0.033 3.928 3.960 0.001 0.000 0.213 490 G C 0.366 175.269 174.900 0.005 0.000 0.991 490 G CA 0.034 45.136 45.100 0.004 0.000 0.653 490 G HN 1.582 nan 8.290 nan 0.000 0.518 491 A N 0.077 122.900 122.820 0.006 0.000 2.477 491 A HA 0.699 5.019 4.320 0.001 0.000 0.246 491 A C 0.679 178.276 177.584 0.022 0.000 1.078 491 A CA 1.227 53.269 52.037 0.008 0.000 0.770 491 A CB 0.751 19.760 19.000 0.016 0.000 1.011 491 A HN 1.583 nan 8.150 nan 0.000 0.494 492 S N 1.528 117.241 115.700 0.022 0.000 2.513 492 S HA 0.724 5.195 4.470 0.001 0.000 0.299 492 S C 0.421 175.039 174.600 0.030 0.000 1.087 492 S CA 0.711 58.928 58.200 0.028 0.000 1.012 492 S CB 0.740 63.956 63.200 0.027 0.000 1.044 492 S HN 2.685 nan 8.310 nan 0.000 0.485 493 G N 3.241 112.061 108.800 0.033 0.000 2.645 493 G HA2 -0.221 3.740 3.960 0.001 0.000 0.246 493 G HA3 -0.221 3.740 3.960 0.001 0.000 0.246 493 G C 0.624 175.546 174.900 0.036 0.000 1.322 493 G CA 0.068 45.185 45.100 0.028 0.000 0.898 493 G HN 0.911 nan 8.290 nan 0.000 0.573 494 L N -0.490 120.745 121.223 0.020 0.000 2.043 494 L HA -0.046 4.294 4.340 0.001 0.000 0.212 494 L C 2.757 179.641 176.870 0.024 0.000 1.075 494 L CA 2.265 57.128 54.840 0.038 0.000 0.752 494 L CB -0.295 41.787 42.059 0.038 0.000 0.891 494 L HN 0.551 nan 8.230 nan 0.000 0.432 495 M N -1.254 118.375 119.600 0.048 0.000 2.475 495 M HA 0.112 4.593 4.480 0.001 0.000 0.283 495 M C -0.268 176.148 176.300 0.193 0.000 1.165 495 M CA -0.075 55.287 55.300 0.104 0.000 0.976 495 M CB 0.868 33.541 32.600 0.123 0.000 1.428 495 M HN 0.079 nan 8.290 nan 0.000 0.495 496 Q N 1.306 121.175 119.800 0.115 0.000 2.443 496 Q HA -0.164 4.176 4.340 0.001 0.000 0.337 496 Q C -0.676 175.371 176.000 0.077 0.000 1.401 496 Q CA 0.942 56.806 55.803 0.102 0.000 0.943 496 Q CB -1.937 26.878 28.738 0.128 0.000 1.177 496 Q HN 0.620 nan 8.270 nan 0.000 0.394 497 I N 1.014 121.606 120.570 0.037 0.000 2.416 497 I HA 0.116 4.286 4.170 0.001 0.000 0.288 497 I C 1.098 177.180 176.117 -0.058 0.000 1.051 497 I CA -0.258 61.020 61.300 -0.037 0.000 1.375 497 I CB 0.616 38.584 38.000 -0.053 0.000 1.407 497 I HN 0.073 nan 8.210 nan 0.000 0.516 498 M N 7.937 127.472 119.600 -0.109 0.000 2.242 498 M HA 0.210 4.690 4.480 0.001 0.000 0.344 498 M C -1.468 174.792 176.300 -0.067 0.000 1.140 498 M CA -1.990 53.260 55.300 -0.083 0.000 1.160 498 M CB 0.410 32.944 32.600 -0.110 0.000 1.491 498 M HN 0.212 nan 8.290 nan 0.000 0.459 499 P HA -0.118 nan 4.420 nan 0.000 0.216 499 P C 1.310 178.617 177.300 0.012 0.000 1.153 499 P CA 1.632 64.749 63.100 0.028 0.000 0.858 499 P CB 0.104 31.822 31.700 0.031 0.000 0.789 500 G N -1.191 107.593 108.800 -0.028 0.000 2.418 500 G HA2 -0.231 3.729 3.960 0.001 0.000 0.217 500 G HA3 -0.231 3.729 3.960 0.001 0.000 0.217 500 G C 1.455 176.321 174.900 -0.056 0.000 1.158 500 G CA 1.452 46.530 45.100 -0.037 0.000 0.771 500 G HN 0.184 nan 8.290 nan 0.000 0.545 501 T N 1.713 116.186 114.554 -0.135 0.000 2.746 501 T HA 0.011 4.362 4.350 0.001 0.000 0.267 501 T C 2.815 177.392 174.700 -0.204 0.000 1.039 501 T CA 1.507 63.458 62.100 -0.247 0.000 1.142 501 T CB -0.375 68.219 68.868 -0.456 0.000 0.866 501 T HN 0.375 nan 8.240 nan 0.000 0.444 502 A N 1.480 124.192 122.820 -0.180 0.000 1.877 502 A HA -0.147 4.174 4.320 0.001 0.000 0.216 502 A C 2.584 180.055 177.584 -0.188 0.000 1.186 502 A CA 2.181 54.057 52.037 -0.269 0.000 0.620 502 A CB -1.362 17.445 19.000 -0.321 0.000 0.822 502 A HN 0.467 nan 8.150 nan 0.000 0.443 503 T N -1.390 113.171 114.554 0.012 0.000 2.684 503 T HA -0.187 4.163 4.350 0.001 0.000 0.267 503 T C 1.859 176.620 174.700 0.102 0.000 1.036 503 T CA 1.538 63.707 62.100 0.114 0.000 1.148 503 T CB -0.500 68.444 68.868 0.128 0.000 0.863 503 T HN 0.713 nan 8.240 nan 0.000 0.436 504 H N 0.176 119.222 119.070 -0.040 0.000 2.389 504 H HA -0.081 4.476 4.556 0.001 0.000 0.299 504 H C 2.169 177.492 175.328 -0.008 0.000 1.081 504 H CA 1.426 57.456 56.048 -0.030 0.000 1.345 504 H CB 0.163 29.894 29.762 -0.053 0.000 1.393 504 H HN 0.257 nan 8.280 nan 0.000 0.520 505 T N 0.203 114.717 114.554 -0.067 0.000 2.737 505 T HA -0.100 4.251 4.350 0.001 0.000 0.265 505 T C 2.215 176.915 174.700 -0.000 0.000 1.038 505 T CA 1.074 63.137 62.100 -0.062 0.000 1.144 505 T CB -0.324 68.476 68.868 -0.113 0.000 0.866 505 T HN 0.115 nan 8.240 nan 0.000 0.434 506 V N 1.632 121.514 119.914 -0.053 0.000 2.392 506 V HA -0.182 3.938 4.120 0.001 0.000 0.249 506 V C 2.466 178.601 176.094 0.069 0.000 1.059 506 V CA 1.714 64.013 62.300 -0.001 0.000 1.051 506 V CB -0.487 31.331 31.823 -0.008 0.000 0.658 506 V HN 0.451 nan 8.190 nan 0.000 0.455 507 K N -0.357 120.078 120.400 0.058 0.000 2.031 507 K HA -0.110 4.211 4.320 0.001 0.000 0.205 507 K C 2.214 178.830 176.600 0.025 0.000 1.049 507 K CA 1.434 57.754 56.287 0.055 0.000 0.939 507 K CB -0.154 32.389 32.500 0.072 0.000 0.717 507 K HN 0.353 nan 8.250 nan 0.000 0.438 508 M N -0.405 119.182 119.600 -0.023 0.000 2.159 508 M HA -0.123 4.357 4.480 0.001 0.000 0.263 508 M C 1.266 177.516 176.300 -0.084 0.000 1.063 508 M CA 1.585 56.822 55.300 -0.105 0.000 1.110 508 M CB -0.124 32.311 32.600 -0.276 0.000 1.374 508 M HN 0.079 nan 8.290 nan 0.000 0.411 509 F N 0.040 119.937 119.950 -0.089 0.000 2.727 509 F HA 0.196 4.723 4.527 0.001 0.000 0.302 509 F C 1.013 176.807 175.800 -0.010 0.000 1.097 509 F CA -0.121 57.858 58.000 -0.035 0.000 1.330 509 F CB -0.029 38.962 39.000 -0.016 0.000 1.084 509 F HN -0.009 nan 8.300 nan 0.000 0.578 510 S N 1.192 116.975 115.700 0.138 0.000 3.628 510 S HA -0.211 4.260 4.470 0.001 0.000 0.373 510 S C 0.137 174.803 174.600 0.110 0.000 0.968 510 S CA 0.023 58.279 58.200 0.093 0.000 1.215 510 S CB -2.170 61.065 63.200 0.058 0.000 0.912 510 S HN 0.268 nan 8.310 nan 0.000 0.495 511 I N 2.907 123.548 120.570 0.118 0.000 2.416 511 I HA 0.284 4.454 4.170 0.001 0.000 0.288 511 I C -1.114 175.056 176.117 0.088 0.000 1.051 511 I CA -1.799 59.558 61.300 0.095 0.000 1.375 511 I CB 0.615 38.643 38.000 0.046 0.000 1.407 511 I HN 0.100 nan 8.210 nan 0.000 0.516 512 P HA 0.272 nan 4.420 nan 0.000 0.281 512 P C 0.481 177.838 177.300 0.094 0.000 1.264 512 P CA -0.153 62.995 63.100 0.081 0.000 0.824 512 P CB 1.472 33.212 31.700 0.067 0.000 1.092 513 G N -0.283 108.569 108.800 0.087 0.000 2.159 513 G HA2 -0.278 3.682 3.960 0.001 0.000 0.256 513 G HA3 -0.278 3.682 3.960 0.001 0.000 0.256 513 G C -0.364 174.608 174.900 0.119 0.000 0.977 513 G CA 0.189 45.340 45.100 0.085 0.000 0.652 513 G HN 0.650 nan 8.290 nan 0.000 0.531 514 Y N 1.683 121.984 120.300 0.001 0.000 2.335 514 Y HA 0.527 5.078 4.550 0.001 0.000 0.339 514 Y C 1.130 177.028 175.900 -0.004 0.000 0.987 514 Y CA -0.209 57.886 58.100 -0.007 0.000 1.140 514 Y CB 1.717 40.170 38.460 -0.013 0.000 1.173 514 Y HN 0.377 nan 8.280 nan 0.000 0.486 515 S N 1.615 117.005 115.700 -0.518 0.000 2.679 515 S HA 0.288 4.759 4.470 0.001 0.000 0.258 515 S C 0.005 174.307 174.600 -0.495 0.000 1.068 515 S CA 0.148 58.108 58.200 -0.400 0.000 1.115 515 S CB 0.167 63.256 63.200 -0.184 0.000 1.078 515 S HN 0.489 nan 8.310 nan 0.000 0.603 516 S N 1.066 116.337 115.700 -0.715 0.000 2.533 516 S HA 0.598 5.069 4.470 0.001 0.000 0.271 516 S C -2.820 171.561 174.600 -0.366 0.000 1.143 516 S CA -1.048 56.895 58.200 -0.428 0.000 0.891 516 S CB 1.617 64.685 63.200 -0.219 0.000 1.105 516 S HN -0.096 nan 8.310 nan 0.000 0.468 517 P HA 0.062 nan 4.420 nan 0.000 0.221 517 P C 1.449 178.779 177.300 0.049 0.000 1.145 517 P CA 1.172 64.312 63.100 0.066 0.000 0.795 517 P CB -0.128 31.601 31.700 0.048 0.000 0.775 518 G N -0.113 108.680 108.800 -0.011 0.000 2.470 518 G HA2 -0.257 3.704 3.960 0.001 0.000 0.220 518 G HA3 -0.257 3.704 3.960 0.001 0.000 0.220 518 G C 1.421 176.332 174.900 0.017 0.000 1.121 518 G CA 0.340 45.440 45.100 -0.001 0.000 0.766 518 G HN 0.327 nan 8.290 nan 0.000 0.553 519 Q N -0.401 119.416 119.800 0.028 0.000 2.369 519 Q HA 0.159 4.499 4.340 0.001 0.000 0.206 519 Q C 2.285 178.343 176.000 0.097 0.000 0.963 519 Q CA 0.205 56.047 55.803 0.066 0.000 0.894 519 Q CB -0.130 28.664 28.738 0.094 0.000 0.965 519 Q HN 0.459 nan 8.270 nan 0.000 0.475 520 L N 0.212 121.507 121.223 0.120 0.000 2.456 520 L HA -0.125 4.216 4.340 0.001 0.000 0.224 520 L C 1.713 178.594 176.870 0.017 0.000 1.148 520 L CA 0.591 55.469 54.840 0.063 0.000 0.825 520 L CB -0.201 41.899 42.059 0.068 0.000 0.937 520 L HN 0.291 nan 8.230 nan 0.000 0.450 521 L N -0.763 120.473 121.223 0.022 0.000 2.554 521 L HA 0.004 4.345 4.340 0.001 0.000 0.226 521 L C 0.473 177.344 176.870 0.001 0.000 1.137 521 L CA -0.006 54.842 54.840 0.013 0.000 0.863 521 L CB -0.349 41.722 42.059 0.020 0.000 0.985 521 L HN 0.173 nan 8.230 nan 0.000 0.451 522 D N 0.134 120.528 120.400 -0.009 0.000 2.295 522 D HA 0.132 4.773 4.640 0.001 0.000 0.248 522 D C -1.607 174.644 176.300 -0.083 0.000 1.154 522 D CA -1.849 52.137 54.000 -0.023 0.000 0.857 522 D CB 1.659 42.453 40.800 -0.011 0.000 1.117 522 D HN -0.214 nan 8.370 nan 0.000 0.468 523 P HA -0.211 nan 4.420 nan 0.000 0.215 523 P C 0.983 178.107 177.300 -0.294 0.000 1.163 523 P CA 1.242 64.179 63.100 -0.273 0.000 0.894 523 P CB 0.162 31.672 31.700 -0.317 0.000 0.791 524 E N -1.164 118.920 120.200 -0.195 0.000 2.058 524 E HA -0.171 4.180 4.350 0.001 0.000 0.194 524 E C 1.700 178.100 176.600 -0.334 0.000 0.997 524 E CA 1.888 58.147 56.400 -0.235 0.000 0.801 524 E CB -0.516 29.146 29.700 -0.063 0.000 0.746 524 E HN 0.126 nan 8.360 nan 0.000 0.450 525 T N 1.064 115.500 114.554 -0.196 0.000 2.708 525 T HA -0.180 4.171 4.350 0.001 0.000 0.266 525 T C 1.690 176.249 174.700 -0.235 0.000 1.037 525 T CA 1.246 63.245 62.100 -0.169 0.000 1.146 525 T CB -0.419 68.425 68.868 -0.039 0.000 0.865 525 T HN 0.250 nan 8.240 nan 0.000 0.435 526 N N 1.057 119.630 118.700 -0.211 0.000 2.084 526 N HA -0.056 4.684 4.740 0.001 0.000 0.190 526 N C 1.940 177.291 175.510 -0.265 0.000 1.030 526 N CA 1.193 54.127 53.050 -0.194 0.000 0.849 526 N CB -0.237 38.163 38.487 -0.145 0.000 1.012 526 N HN 0.379 nan 8.380 nan 0.000 0.423 527 I N 1.122 121.450 120.570 -0.402 0.000 2.286 527 I HA -0.256 3.914 4.170 0.001 0.000 0.248 527 I C 2.299 178.077 176.117 -0.564 0.000 1.115 527 I CA 0.769 61.760 61.300 -0.515 0.000 1.392 527 I CB -0.414 37.113 38.000 -0.787 0.000 1.065 527 I HN 0.211 nan 8.210 nan 0.000 0.418 528 N N 1.805 120.031 118.700 -0.789 0.000 2.039 528 N HA -0.175 4.565 4.740 0.001 0.000 0.193 528 N C 1.768 177.069 175.510 -0.348 0.000 1.044 528 N CA 1.887 54.493 53.050 -0.740 0.000 0.847 528 N CB -0.273 37.833 38.487 -0.636 0.000 1.030 528 N HN 0.282 nan 8.380 nan 0.000 0.422 529 I N -0.279 120.104 120.570 -0.312 0.000 2.315 529 I HA -0.079 4.092 4.170 0.001 0.000 0.248 529 I C 2.305 178.318 176.117 -0.172 0.000 1.117 529 I CA 1.072 62.206 61.300 -0.277 0.000 1.404 529 I CB -0.599 37.199 38.000 -0.337 0.000 1.071 529 I HN 0.238 nan 8.210 nan 0.000 0.419 530 G N 0.811 109.547 108.800 -0.107 0.000 2.394 530 G HA2 -0.242 3.719 3.960 0.001 0.000 0.215 530 G HA3 -0.242 3.719 3.960 0.001 0.000 0.215 530 G C 1.773 176.724 174.900 0.085 0.000 1.165 530 G CA 1.324 46.462 45.100 0.065 0.000 0.784 530 G HN 0.435 nan 8.290 nan 0.000 0.535 531 T N -1.355 113.192 114.554 -0.013 0.000 2.833 531 T HA -0.117 4.234 4.350 0.001 0.000 0.269 531 T C 2.443 177.139 174.700 -0.008 0.000 1.054 531 T CA 1.872 63.988 62.100 0.027 0.000 1.135 531 T CB -0.356 68.552 68.868 0.065 0.000 0.869 531 T HN 0.218 nan 8.240 nan 0.000 0.466 532 S N 0.108 115.703 115.700 -0.175 0.000 2.356 532 S HA -0.135 4.336 4.470 0.001 0.000 0.223 532 S C 1.848 176.212 174.600 -0.394 0.000 1.032 532 S CA 0.942 58.794 58.200 -0.579 0.000 1.005 532 S CB -0.761 61.828 63.200 -1.018 0.000 0.867 532 S HN 0.616 nan 8.310 nan 0.000 0.449 533 Y N 1.386 121.567 120.300 -0.198 0.000 2.200 533 Y HA 0.012 4.563 4.550 0.001 0.000 0.290 533 Y C 2.051 178.166 175.900 0.358 0.000 1.137 533 Y CA 1.450 59.622 58.100 0.121 0.000 1.163 533 Y CB -0.620 37.901 38.460 0.101 0.000 0.988 533 Y HN 0.337 nan 8.280 nan 0.000 0.518 534 L N 0.548 121.945 121.223 0.289 0.000 2.046 534 L HA -0.202 4.138 4.340 0.001 0.000 0.208 534 L C 2.405 179.417 176.870 0.236 0.000 1.077 534 L CA 2.268 57.262 54.840 0.257 0.000 0.747 534 L CB -1.078 41.042 42.059 0.101 0.000 0.896 534 L HN 0.356 nan 8.230 nan 0.000 0.432 535 Q N -1.561 118.378 119.800 0.231 0.000 2.124 535 Q HA -0.287 4.054 4.340 0.001 0.000 0.202 535 Q C 2.145 178.379 176.000 0.390 0.000 0.977 535 Q CA 2.067 58.059 55.803 0.316 0.000 0.850 535 Q CB -0.754 28.175 28.738 0.318 0.000 0.901 535 Q HN 0.638 nan 8.270 nan 0.000 0.429 536 Y N 0.462 120.933 120.300 0.285 0.000 2.114 536 Y HA -0.196 4.354 4.550 0.001 0.000 0.284 536 Y C 2.008 177.962 175.900 0.091 0.000 1.143 536 Y CA 2.217 60.446 58.100 0.214 0.000 1.135 536 Y CB -0.686 37.912 38.460 0.231 0.000 0.980 536 Y HN 0.084 nan 8.280 nan 0.000 0.499 537 V N -1.440 118.347 119.914 -0.212 0.000 2.626 537 V HA -0.200 3.921 4.120 0.001 0.000 0.252 537 V C 2.118 178.330 176.094 0.196 0.000 1.067 537 V CA 1.818 64.040 62.300 -0.129 0.000 1.081 537 V CB -1.736 30.100 31.823 0.022 0.000 0.686 537 V HN 0.507 nan 8.190 nan 0.000 0.468 538 Y N 3.152 123.521 120.300 0.114 0.000 2.114 538 Y HA -0.243 4.308 4.550 0.001 0.000 0.284 538 Y C 2.761 178.719 175.900 0.096 0.000 1.143 538 Y CA 2.601 60.793 58.100 0.153 0.000 1.135 538 Y CB -0.512 38.050 38.460 0.171 0.000 0.980 538 Y HN 0.539 nan 8.280 nan 0.000 0.499 539 Q N 0.225 120.091 119.800 0.109 0.000 2.167 539 Q HA -0.222 4.119 4.340 0.001 0.000 0.202 539 Q C 2.129 178.049 176.000 -0.134 0.000 0.970 539 Q CA 2.053 57.838 55.803 -0.030 0.000 0.855 539 Q CB -0.895 27.876 28.738 0.055 0.000 0.911 539 Q HN 0.683 nan 8.270 nan 0.000 0.438 540 Q N -0.337 119.328 119.800 -0.224 0.000 2.124 540 Q HA -0.105 4.235 4.340 0.001 0.000 0.202 540 Q C 0.266 175.938 176.000 -0.546 0.000 0.977 540 Q CA 1.212 56.746 55.803 -0.449 0.000 0.850 540 Q CB -0.008 28.302 28.738 -0.714 0.000 0.901 540 Q HN 0.525 nan 8.270 nan 0.000 0.429 541 F N -0.348 119.530 119.950 -0.121 0.000 2.730 541 F HA 0.371 4.898 4.527 0.001 0.000 0.295 541 F C 0.975 176.763 175.800 -0.020 0.000 1.143 541 F CA 0.300 58.274 58.000 -0.043 0.000 1.367 541 F CB 0.909 39.962 39.000 0.089 0.000 0.970 541 F HN 0.197 nan 8.300 nan 0.000 0.514 542 G N 1.010 109.785 108.800 -0.041 0.000 2.198 542 G HA2 -0.367 3.593 3.960 0.001 0.000 0.257 542 G HA3 -0.367 3.593 3.960 0.001 0.000 0.257 542 G C 0.316 175.068 174.900 -0.247 0.000 1.042 542 G CA 0.114 45.152 45.100 -0.103 0.000 0.791 542 G HN 0.444 nan 8.290 nan 0.000 0.502 543 N N -1.095 117.278 118.700 -0.544 0.000 2.740 543 N HA -0.169 4.571 4.740 0.001 0.000 0.248 543 N C -0.239 174.826 175.510 -0.742 0.000 1.062 543 N CA 1.512 53.828 53.050 -1.224 0.000 0.704 543 N CB -1.128 36.962 38.487 -0.660 0.000 0.968 543 N HN 0.881 nan 8.380 nan 0.000 0.547 544 N N 0.450 118.891 118.700 -0.432 0.000 2.446 544 N HA 0.260 5.001 4.740 0.001 0.000 0.265 544 N C 0.816 176.247 175.510 -0.133 0.000 0.975 544 N CA -0.427 52.465 53.050 -0.263 0.000 0.928 544 N CB 0.814 39.056 38.487 -0.408 0.000 1.160 544 N HN 0.165 nan 8.380 nan 0.000 0.495 545 R N 2.763 123.196 120.500 -0.111 0.000 2.189 545 R HA 0.068 4.409 4.340 0.001 0.000 0.223 545 R C 1.629 177.916 176.300 -0.022 0.000 1.092 545 R CA 0.981 56.986 56.100 -0.159 0.000 0.989 545 R CB 0.188 30.232 30.300 -0.427 0.000 0.876 545 R HN 0.622 nan 8.270 nan 0.000 0.457 546 I N -0.046 120.463 120.570 -0.102 0.000 2.202 546 I HA -0.249 3.922 4.170 0.001 0.000 0.242 546 I C 1.579 177.792 176.117 0.159 0.000 1.091 546 I CA 1.212 62.512 61.300 -0.001 0.000 1.368 546 I CB -0.202 37.746 38.000 -0.088 0.000 1.058 546 I HN 0.019 nan 8.210 nan 0.000 0.410 547 F N 1.272 121.254 119.950 0.052 0.000 2.146 547 F HA -0.189 4.338 4.527 0.001 0.000 0.298 547 F C 3.016 178.742 175.800 -0.124 0.000 1.096 547 F CA 1.281 59.194 58.000 -0.146 0.000 1.275 547 F CB -1.677 37.140 39.000 -0.305 0.000 1.008 547 F HN 0.148 nan 8.300 nan 0.000 0.480 548 S N -0.934 114.927 115.700 0.269 0.000 2.383 548 S HA -0.139 4.332 4.470 0.001 0.000 0.227 548 S C 2.105 176.952 174.600 0.413 0.000 1.026 548 S CA 1.269 59.684 58.200 0.359 0.000 0.981 548 S CB -0.868 62.647 63.200 0.524 0.000 0.818 548 S HN 0.252 nan 8.310 nan 0.000 0.472 549 S N 2.440 118.399 115.700 0.431 0.000 2.355 549 S HA 0.159 4.629 4.470 0.001 0.000 0.222 549 S C 2.374 177.246 174.600 0.453 0.000 1.031 549 S CA 0.948 59.453 58.200 0.509 0.000 0.993 549 S CB -0.816 62.650 63.200 0.443 0.000 0.859 549 S HN 0.764 nan 8.310 nan 0.000 0.453 550 A N 1.614 124.643 122.820 0.348 0.000 1.902 550 A HA 0.105 4.425 4.320 0.001 0.000 0.217 550 A C 2.330 180.019 177.584 0.175 0.000 1.181 550 A CA 1.705 53.925 52.037 0.305 0.000 0.623 550 A CB -1.020 18.229 19.000 0.415 0.000 0.818 550 A HN 0.511 nan 8.150 nan 0.000 0.443 551 A N -1.907 120.983 122.820 0.116 0.000 1.930 551 A HA -0.070 4.250 4.320 0.001 0.000 0.217 551 A C 2.113 179.825 177.584 0.214 0.000 1.175 551 A CA 1.504 53.591 52.037 0.083 0.000 0.627 551 A CB -0.724 18.311 19.000 0.059 0.000 0.815 551 A HN 0.658 nan 8.150 nan 0.000 0.443 552 Y N 0.863 121.271 120.300 0.180 0.000 2.242 552 Y HA -0.181 4.370 4.550 0.001 0.000 0.291 552 Y C 2.399 178.336 175.900 0.060 0.000 1.137 552 Y CA 2.009 60.249 58.100 0.234 0.000 1.181 552 Y CB -0.084 38.538 38.460 0.269 0.000 0.989 552 Y HN 0.478 nan 8.280 nan 0.000 0.527 553 N N -0.428 118.275 118.700 0.005 0.000 2.251 553 N HA -0.078 4.663 4.740 0.001 0.000 0.181 553 N C 1.462 176.926 175.510 -0.076 0.000 1.019 553 N CA 1.184 54.068 53.050 -0.276 0.000 0.862 553 N CB 0.003 38.004 38.487 -0.810 0.000 0.992 553 N HN 0.362 nan 8.380 nan 0.000 0.429 554 A N -0.101 122.729 122.820 0.017 0.000 2.343 554 A HA 0.477 4.798 4.320 0.001 0.000 0.223 554 A C 0.627 178.205 177.584 -0.009 0.000 1.214 554 A CA 0.620 52.694 52.037 0.063 0.000 0.900 554 A CB 0.155 19.233 19.000 0.130 0.000 0.942 554 A HN 0.452 nan 8.150 nan 0.000 0.507 555 G N -0.564 108.242 108.800 0.011 0.000 2.788 555 G HA2 -0.032 3.929 3.960 0.001 0.000 0.686 555 G HA3 -0.032 3.929 3.960 0.001 0.000 0.686 555 G C -1.757 173.153 174.900 0.018 0.000 1.147 555 G CA -0.332 44.797 45.100 0.047 0.000 0.755 555 G HN -0.007 nan 8.290 nan 0.000 0.634 556 P HA -0.063 nan 4.420 nan 0.000 0.218 556 P C 2.131 179.494 177.300 0.104 0.000 1.148 556 P CA 2.122 65.361 63.100 0.231 0.000 0.822 556 P CB 0.012 31.897 31.700 0.309 0.000 0.784 557 G N 0.056 108.863 108.800 0.012 0.000 2.446 557 G HA2 -0.261 3.700 3.960 0.001 0.000 0.217 557 G HA3 -0.261 3.700 3.960 0.001 0.000 0.217 557 G C 1.755 176.521 174.900 -0.223 0.000 1.168 557 G CA 0.532 45.594 45.100 -0.063 0.000 0.771 557 G HN 0.136 nan 8.290 nan 0.000 0.551 558 R N 0.076 120.342 120.500 -0.389 0.000 2.081 558 R HA -0.022 4.319 4.340 0.001 0.000 0.235 558 R C 2.767 178.349 176.300 -1.197 0.000 1.131 558 R CA 0.974 56.541 56.100 -0.888 0.000 0.960 558 R CB -1.113 28.541 30.300 -1.076 0.000 0.856 558 R HN 0.366 nan 8.270 nan 0.000 0.436 559 V N 1.139 120.613 119.914 -0.732 0.000 2.343 559 V HA -0.225 3.896 4.120 0.001 0.000 0.247 559 V C 2.515 178.490 176.094 -0.199 0.000 1.051 559 V CA 1.624 63.665 62.300 -0.431 0.000 1.036 559 V CB -0.469 31.041 31.823 -0.521 0.000 0.654 559 V HN 0.300 nan 8.190 nan 0.000 0.451 560 R N -0.220 120.224 120.500 -0.094 0.000 2.083 560 R HA -0.154 4.187 4.340 0.001 0.000 0.237 560 R C 2.453 178.728 176.300 -0.042 0.000 1.137 560 R CA 1.997 58.096 56.100 -0.003 0.000 0.951 560 R CB -0.790 29.520 30.300 0.016 0.000 0.851 560 R HN 0.499 nan 8.270 nan 0.000 0.434 561 T N 0.097 114.569 114.554 -0.135 0.000 2.684 561 T HA -0.168 4.182 4.350 0.001 0.000 0.267 561 T C 1.347 176.101 174.700 0.091 0.000 1.036 561 T CA 1.296 63.349 62.100 -0.078 0.000 1.148 561 T CB -0.200 68.562 68.868 -0.176 0.000 0.863 561 T HN 0.351 nan 8.240 nan 0.000 0.436 562 W N 1.284 122.578 121.300 -0.011 0.000 2.342 562 W HA 0.097 4.757 4.660 0.001 0.000 0.297 562 W C 2.080 178.713 176.519 0.191 0.000 1.213 562 W CA 0.101 57.463 57.345 0.029 0.000 1.251 562 W CB -1.442 28.009 29.460 -0.015 0.000 1.136 562 W HN 0.281 nan 8.180 nan 0.000 0.526 563 L N -0.310 121.136 121.223 0.372 0.000 2.141 563 L HA -0.042 4.298 4.340 0.001 0.000 0.209 563 L C 2.612 179.565 176.870 0.139 0.000 1.094 563 L CA 1.367 56.337 54.840 0.216 0.000 0.763 563 L CB -1.195 40.815 42.059 -0.082 0.000 0.908 563 L HN 0.009 nan 8.230 nan 0.000 0.437 564 G N -0.526 108.339 108.800 0.107 0.000 2.448 564 G HA2 -0.214 3.747 3.960 0.001 0.000 0.218 564 G HA3 -0.214 3.747 3.960 0.001 0.000 0.218 564 G C 1.365 176.321 174.900 0.092 0.000 1.135 564 G CA 0.386 45.529 45.100 0.071 0.000 0.784 564 G HN 0.304 nan 8.290 nan 0.000 0.543 565 N N 1.256 120.037 118.700 0.135 0.000 2.109 565 N HA -0.097 4.643 4.740 0.001 0.000 0.188 565 N C 2.703 178.280 175.510 0.112 0.000 1.034 565 N CA 1.652 54.770 53.050 0.114 0.000 0.846 565 N CB -0.510 38.051 38.487 0.124 0.000 1.010 565 N HN 0.401 nan 8.380 nan 0.000 0.425 566 S N 0.458 116.263 115.700 0.176 0.000 2.383 566 S HA 0.139 4.609 4.470 0.001 0.000 0.227 566 S C 1.267 175.953 174.600 0.142 0.000 1.026 566 S CA 0.783 59.095 58.200 0.186 0.000 0.981 566 S CB -0.402 63.012 63.200 0.356 0.000 0.818 566 S HN 0.476 nan 8.310 nan 0.000 0.472 567 A N 0.735 123.631 122.820 0.126 0.000 2.783 567 A HA 0.123 4.443 4.320 0.001 0.000 0.292 567 A C 1.568 179.191 177.584 0.065 0.000 1.495 567 A CA 0.986 53.069 52.037 0.076 0.000 0.787 567 A CB -2.319 16.715 19.000 0.057 0.000 1.017 567 A HN 2.246 nan 8.150 nan 0.000 0.516 568 G N -1.970 106.880 108.800 0.082 0.000 2.148 568 G HA2 -0.353 3.608 3.960 0.001 0.000 0.254 568 G HA3 -0.353 3.608 3.960 0.001 0.000 0.254 568 G C 0.674 175.625 174.900 0.085 0.000 0.981 568 G CA 1.142 46.281 45.100 0.066 0.000 0.670 568 G HN 1.113 nan 8.290 nan 0.000 0.528 569 R N -0.247 120.315 120.500 0.103 0.000 2.280 569 R HA 0.398 4.739 4.340 0.001 0.000 0.195 569 R C 1.609 177.974 176.300 0.108 0.000 0.935 569 R CA 1.063 57.216 56.100 0.089 0.000 1.033 569 R CB 0.152 30.495 30.300 0.071 0.000 0.964 569 R HN 0.758 nan 8.270 nan 0.000 0.489 570 I N -1.969 118.699 120.570 0.164 0.000 3.206 570 I HA 0.445 4.615 4.170 0.001 0.000 0.313 570 I C -0.972 175.274 176.117 0.216 0.000 1.103 570 I CA -1.396 60.004 61.300 0.167 0.000 0.985 570 I CB 1.811 39.902 38.000 0.151 0.000 1.240 570 I HN -0.211 nan 8.210 nan 0.000 0.464 571 D N 1.895 122.380 120.400 0.141 0.000 2.466 571 D HA 0.457 5.097 4.640 0.001 0.000 0.262 571 D C 1.000 177.169 176.300 -0.218 0.000 1.177 571 D CA -0.177 53.854 54.000 0.052 0.000 1.035 571 D CB 1.308 42.085 40.800 -0.039 0.000 1.105 571 D HN 0.717 nan 8.370 nan 0.000 0.551 572 A N -0.067 122.448 122.820 -0.509 0.000 1.908 572 A HA -0.125 4.195 4.320 0.001 0.000 0.218 572 A C 2.218 179.566 177.584 -0.394 0.000 1.181 572 A CA 2.162 53.643 52.037 -0.926 0.000 0.627 572 A CB -1.106 17.585 19.000 -0.515 0.000 0.818 572 A HN 0.415 nan 8.150 nan 0.000 0.445 573 V N -0.373 119.433 119.914 -0.179 0.000 2.358 573 V HA -0.169 3.952 4.120 0.001 0.000 0.246 573 V C 2.986 179.304 176.094 0.375 0.000 1.047 573 V CA 1.751 64.104 62.300 0.088 0.000 1.035 573 V CB -1.346 30.466 31.823 -0.019 0.000 0.658 573 V HN 0.601 nan 8.190 nan 0.000 0.452 574 A N -0.356 122.700 122.820 0.393 0.000 1.930 574 A HA -0.202 4.119 4.320 0.001 0.000 0.217 574 A C 2.109 179.710 177.584 0.028 0.000 1.175 574 A CA 1.806 53.939 52.037 0.160 0.000 0.627 574 A CB -0.681 18.337 19.000 0.030 0.000 0.815 574 A HN 0.508 nan 8.150 nan 0.000 0.443 575 F N 0.552 120.433 119.950 -0.114 0.000 2.102 575 F HA -0.145 4.383 4.527 0.001 0.000 0.298 575 F C 2.251 177.991 175.800 -0.100 0.000 1.105 575 F CA 1.918 59.855 58.000 -0.105 0.000 1.239 575 F CB -0.207 38.700 39.000 -0.154 0.000 0.991 575 F HN 0.034 nan 8.300 nan 0.000 0.474 576 V N 0.165 120.069 119.914 -0.016 0.000 2.295 576 V HA -0.287 3.834 4.120 0.001 0.000 0.246 576 V C 2.308 178.296 176.094 -0.176 0.000 1.049 576 V CA 2.231 64.469 62.300 -0.104 0.000 1.024 576 V CB -0.684 31.095 31.823 -0.073 0.000 0.648 576 V HN 0.281 nan 8.190 nan 0.000 0.447 577 E N 0.943 121.129 120.200 -0.024 0.000 2.204 577 E HA -0.149 4.202 4.350 0.001 0.000 0.194 577 E C 2.162 178.698 176.600 -0.108 0.000 0.989 577 E CA 1.378 57.794 56.400 0.028 0.000 0.824 577 E CB -0.261 29.617 29.700 0.297 0.000 0.756 577 E HN 0.731 nan 8.360 nan 0.000 0.477 578 S N -0.650 114.911 115.700 -0.233 0.000 2.593 578 S HA 0.130 4.600 4.470 0.001 0.000 0.217 578 S C 0.858 175.157 174.600 -0.501 0.000 0.966 578 S CA -0.388 57.626 58.200 -0.309 0.000 0.914 578 S CB -0.423 62.601 63.200 -0.293 0.000 0.776 578 S HN 0.172 nan 8.310 nan 0.000 0.523 579 I N 4.081 124.263 120.570 -0.645 0.000 2.828 579 I HA 0.034 4.205 4.170 0.001 0.000 0.292 579 I C -0.937 174.750 176.117 -0.717 0.000 1.206 579 I CA -1.251 59.457 61.300 -0.986 0.000 1.420 579 I CB 0.794 38.287 38.000 -0.845 0.000 1.368 579 I HN 0.154 nan 8.210 nan 0.000 0.556 580 P HA -0.103 nan 4.420 nan 0.000 0.223 580 P C 0.131 177.479 177.300 0.081 0.000 1.151 580 P CA 1.028 63.951 63.100 -0.295 0.000 0.787 580 P CB 0.165 31.734 31.700 -0.217 0.000 0.788 581 F N 0.837 120.654 119.950 -0.223 0.000 2.404 581 F HA 0.223 4.751 4.527 0.001 0.000 0.358 581 F C 1.900 177.658 175.800 -0.070 0.000 1.120 581 F CA -1.344 56.634 58.000 -0.037 0.000 1.144 581 F CB 0.286 39.358 39.000 0.120 0.000 1.133 581 F HN -0.157 nan 8.300 nan 0.000 0.495 582 S N 1.761 117.541 115.700 0.134 0.000 2.383 582 S HA -0.229 4.242 4.470 0.001 0.000 0.229 582 S C 2.038 176.676 174.600 0.064 0.000 1.030 582 S CA 1.524 59.761 58.200 0.063 0.000 1.002 582 S CB -0.198 63.030 63.200 0.045 0.000 0.829 582 S HN 0.773 nan 8.310 nan 0.000 0.467 583 E N 0.614 120.867 120.200 0.088 0.000 2.051 583 E HA -0.160 4.191 4.350 0.001 0.000 0.192 583 E C 1.743 178.428 176.600 0.142 0.000 0.991 583 E CA 1.578 58.035 56.400 0.096 0.000 0.799 583 E CB -0.154 29.589 29.700 0.072 0.000 0.748 583 E HN 0.453 nan 8.360 nan 0.000 0.449 584 T N 0.621 115.289 114.554 0.190 0.000 2.821 584 T HA -0.123 4.228 4.350 0.001 0.000 0.267 584 T C 1.860 176.630 174.700 0.117 0.000 1.046 584 T CA 1.206 63.425 62.100 0.197 0.000 1.139 584 T CB -0.242 68.824 68.868 0.330 0.000 0.871 584 T HN 0.176 nan 8.240 nan 0.000 0.454 585 R N 0.735 121.238 120.500 0.005 0.000 2.073 585 R HA -0.079 4.262 4.340 0.001 0.000 0.234 585 R C 2.711 178.946 176.300 -0.108 0.000 1.134 585 R CA 1.705 57.744 56.100 -0.101 0.000 0.952 585 R CB -0.704 29.517 30.300 -0.133 0.000 0.850 585 R HN 0.437 nan 8.270 nan 0.000 0.433 586 G N -0.637 108.136 108.800 -0.045 0.000 2.408 586 G HA2 -0.320 3.641 3.960 0.001 0.000 0.217 586 G HA3 -0.320 3.641 3.960 0.001 0.000 0.217 586 G C 1.253 176.117 174.900 -0.060 0.000 1.150 586 G CA 0.694 45.750 45.100 -0.073 0.000 0.776 586 G HN 0.466 nan 8.290 nan 0.000 0.542 587 Y N 1.165 121.413 120.300 -0.086 0.000 2.145 587 Y HA -0.156 4.394 4.550 0.001 0.000 0.286 587 Y C 2.849 178.675 175.900 -0.122 0.000 1.145 587 Y CA 1.780 59.841 58.100 -0.066 0.000 1.148 587 Y CB -0.249 38.229 38.460 0.031 0.000 0.981 587 Y HN 0.039 nan 8.280 nan 0.000 0.507 588 V N 0.749 120.716 119.914 0.089 0.000 2.343 588 V HA -0.325 3.795 4.120 0.001 0.000 0.247 588 V C 2.237 178.156 176.094 -0.292 0.000 1.051 588 V CA 2.333 64.615 62.300 -0.031 0.000 1.036 588 V CB -0.612 31.223 31.823 0.018 0.000 0.654 588 V HN 0.353 nan 8.190 nan 0.000 0.451 589 K N 0.082 120.189 120.400 -0.488 0.000 2.032 589 K HA -0.188 4.132 4.320 0.001 0.000 0.209 589 K C 2.108 178.414 176.600 -0.491 0.000 1.048 589 K CA 1.745 57.552 56.287 -0.799 0.000 0.927 589 K CB -0.341 31.635 32.500 -0.873 0.000 0.712 589 K HN 0.403 nan 8.250 nan 0.000 0.441 590 N N 0.653 119.052 118.700 -0.502 0.000 2.084 590 N HA -0.136 4.605 4.740 0.001 0.000 0.190 590 N C 1.886 176.792 175.510 -1.006 0.000 1.030 590 N CA 1.047 53.617 53.050 -0.799 0.000 0.849 590 N CB -0.553 37.470 38.487 -0.774 0.000 1.012 590 N HN -0.065 nan 8.380 nan 0.000 0.423 591 V N 1.649 121.160 119.914 -0.671 0.000 2.343 591 V HA -0.172 3.949 4.120 0.001 0.000 0.247 591 V C 2.338 178.319 176.094 -0.189 0.000 1.051 591 V CA 1.197 63.248 62.300 -0.415 0.000 1.036 591 V CB -0.524 31.101 31.823 -0.330 0.000 0.654 591 V HN 0.246 nan 8.190 nan 0.000 0.451 592 L N -0.041 121.084 121.223 -0.164 0.000 2.056 592 L HA -0.124 4.217 4.340 0.001 0.000 0.207 592 L C 2.730 179.499 176.870 -0.167 0.000 1.078 592 L CA 1.512 56.309 54.840 -0.072 0.000 0.749 592 L CB -0.809 41.273 42.059 0.039 0.000 0.901 592 L HN 0.354 nan 8.230 nan 0.000 0.433 593 A N -0.636 122.027 122.820 -0.263 0.000 1.898 593 A HA -0.211 4.110 4.320 0.001 0.000 0.216 593 A C 2.088 179.272 177.584 -0.667 0.000 1.181 593 A CA 1.330 53.082 52.037 -0.476 0.000 0.620 593 A CB -0.694 18.084 19.000 -0.369 0.000 0.819 593 A HN 0.339 nan 8.150 nan 0.000 0.442 594 Y N 0.057 120.086 120.300 -0.453 0.000 2.242 594 Y HA -0.129 4.422 4.550 0.001 0.000 0.291 594 Y C 2.285 178.139 175.900 -0.078 0.000 1.137 594 Y CA 0.699 58.614 58.100 -0.308 0.000 1.181 594 Y CB -1.022 37.467 38.460 0.049 0.000 0.989 594 Y HN 0.397 nan 8.280 nan 0.000 0.527 595 D N -0.062 120.411 120.400 0.122 0.000 2.117 595 D HA -0.131 4.510 4.640 0.001 0.000 0.197 595 D C 2.243 178.586 176.300 0.072 0.000 0.987 595 D CA 1.290 55.390 54.000 0.167 0.000 0.829 595 D CB -0.122 40.769 40.800 0.151 0.000 0.961 595 D HN 0.210 nan 8.370 nan 0.000 0.460 596 A N -0.402 122.350 122.820 -0.113 0.000 1.902 596 A HA -0.197 4.124 4.320 0.001 0.000 0.217 596 A C 2.112 179.666 177.584 -0.051 0.000 1.181 596 A CA 1.254 53.207 52.037 -0.139 0.000 0.623 596 A CB -1.083 17.741 19.000 -0.293 0.000 0.818 596 A HN 0.290 nan 8.150 nan 0.000 0.443 597 Y N -1.571 118.654 120.300 -0.125 0.000 2.181 597 Y HA -0.199 4.352 4.550 0.001 0.000 0.288 597 Y C 2.308 178.164 175.900 -0.073 0.000 1.146 597 Y CA 0.890 58.855 58.100 -0.224 0.000 1.164 597 Y CB -1.334 36.773 38.460 -0.588 0.000 0.982 597 Y HN 0.415 nan 8.280 nan 0.000 0.515 598 Y N -0.071 120.391 120.300 0.271 0.000 2.181 598 Y HA -0.198 4.352 4.550 0.001 0.000 0.288 598 Y C 2.557 178.571 175.900 0.191 0.000 1.146 598 Y CA 1.324 59.591 58.100 0.278 0.000 1.164 598 Y CB -0.480 38.092 38.460 0.187 0.000 0.982 598 Y HN -0.012 nan 8.280 nan 0.000 0.515 599 R N -1.415 119.229 120.500 0.240 0.000 2.081 599 R HA -0.239 4.102 4.340 0.001 0.000 0.235 599 R C 2.095 178.446 176.300 0.085 0.000 1.131 599 R CA 1.815 57.999 56.100 0.139 0.000 0.960 599 R CB -0.784 29.569 30.300 0.087 0.000 0.856 599 R HN 0.406 nan 8.270 nan 0.000 0.436 600 Y N 0.465 120.730 120.300 -0.058 0.000 2.097 600 Y HA -0.237 4.314 4.550 0.001 0.000 0.282 600 Y C 1.676 177.454 175.900 -0.205 0.000 1.152 600 Y CA 1.595 59.577 58.100 -0.197 0.000 1.136 600 Y CB -0.308 37.927 38.460 -0.375 0.000 0.975 600 Y HN -0.094 nan 8.280 nan 0.000 0.498 601 F N -0.415 119.582 119.950 0.077 0.000 2.546 601 F HA -0.115 4.413 4.527 0.001 0.000 0.298 601 F C 1.943 177.729 175.800 -0.024 0.000 1.120 601 F CA 1.018 59.020 58.000 0.004 0.000 1.456 601 F CB -0.564 38.499 39.000 0.105 0.000 1.088 601 F HN 0.132 nan 8.300 nan 0.000 0.572 602 M N -1.044 118.633 119.600 0.129 0.000 2.428 602 M HA 0.271 4.752 4.480 0.001 0.000 0.239 602 M C 1.490 177.787 176.300 -0.005 0.000 1.121 602 M CA 0.662 56.013 55.300 0.085 0.000 1.019 602 M CB 0.077 32.745 32.600 0.114 0.000 1.485 602 M HN 0.217 nan 8.290 nan 0.000 0.484 603 G N 0.990 109.728 108.800 -0.103 0.000 2.141 603 G HA2 -0.173 3.788 3.960 0.001 0.000 0.242 603 G HA3 -0.173 3.788 3.960 0.001 0.000 0.242 603 G C -0.487 174.356 174.900 -0.095 0.000 0.982 603 G CA -0.187 44.831 45.100 -0.137 0.000 0.662 603 G HN 0.429 nan 8.290 nan 0.000 0.527 604 D N -0.277 120.084 120.400 -0.065 0.000 2.326 604 D HA 0.415 5.055 4.640 0.001 0.000 0.248 604 D C 0.337 176.630 176.300 -0.012 0.000 1.001 604 D CA -0.603 53.382 54.000 -0.025 0.000 0.961 604 D CB 1.098 41.902 40.800 0.007 0.000 1.183 604 D HN 0.206 nan 8.370 nan 0.000 0.502 605 K N 1.743 122.143 120.400 -0.001 0.000 2.383 605 K HA 0.111 4.431 4.320 0.001 0.000 0.286 605 K C -1.854 174.757 176.600 0.018 0.000 1.051 605 K CA -1.069 55.225 56.287 0.012 0.000 0.974 605 K CB 0.623 33.119 32.500 -0.008 0.000 0.968 605 K HN 0.085 nan 8.250 nan 0.000 0.475 606 P HA 0.031 nan 4.420 nan 0.000 0.243 606 P C -0.822 176.449 177.300 -0.049 0.000 1.668 606 P CA -0.267 62.845 63.100 0.020 0.000 0.898 606 P CB -0.119 31.626 31.700 0.076 0.000 1.637 607 T N 1.370 115.883 114.554 -0.069 0.000 2.934 607 T HA -0.034 4.316 4.350 0.001 0.000 0.306 607 T C 1.503 176.105 174.700 -0.165 0.000 1.042 607 T CA -0.052 61.968 62.100 -0.135 0.000 1.145 607 T CB 0.674 69.456 68.868 -0.145 0.000 0.982 607 T HN -0.013 nan 8.240 nan 0.000 0.544 608 L N 3.307 124.389 121.223 -0.236 0.000 2.012 608 L HA 0.046 4.386 4.340 0.001 0.000 0.210 608 L C 0.779 177.567 176.870 -0.137 0.000 1.073 608 L CA 1.879 56.580 54.840 -0.232 0.000 0.748 608 L CB -0.209 41.651 42.059 -0.331 0.000 0.891 608 L HN 0.651 nan 8.230 nan 0.000 0.431 609 M N -1.440 118.090 119.600 -0.115 0.000 2.591 609 M HA 0.315 4.796 4.480 0.001 0.000 0.306 609 M C 0.183 176.468 176.300 -0.025 0.000 1.190 609 M CA -0.641 54.654 55.300 -0.009 0.000 0.889 609 M CB 2.052 34.757 32.600 0.174 0.000 1.728 609 M HN 0.089 nan 8.290 nan 0.000 0.458 610 S N 0.826 116.532 115.700 0.010 0.000 2.600 610 S HA 0.424 4.894 4.470 0.001 0.000 0.265 610 S C 1.041 175.675 174.600 0.056 0.000 1.325 610 S CA -0.091 58.114 58.200 0.008 0.000 1.002 610 S CB 1.137 64.343 63.200 0.011 0.000 0.921 610 S HN 0.786 nan 8.310 nan 0.000 0.554 611 A N 1.616 124.458 122.820 0.037 0.000 1.940 611 A HA -0.027 4.293 4.320 0.001 0.000 0.219 611 A C 2.248 179.907 177.584 0.124 0.000 1.176 611 A CA 2.111 54.198 52.037 0.082 0.000 0.631 611 A CB -1.854 17.171 19.000 0.042 0.000 0.814 611 A HN 0.896 nan 8.150 nan 0.000 0.446 612 T N -0.147 114.448 114.554 0.069 0.000 2.737 612 T HA -0.120 4.230 4.350 0.001 0.000 0.265 612 T C 1.784 176.516 174.700 0.053 0.000 1.038 612 T CA 1.659 63.785 62.100 0.043 0.000 1.144 612 T CB -0.229 68.639 68.868 -0.000 0.000 0.866 612 T HN 0.671 nan 8.240 nan 0.000 0.434 613 E N 0.100 120.340 120.200 0.066 0.000 2.051 613 E HA -0.116 4.234 4.350 0.001 0.000 0.192 613 E C 1.984 178.716 176.600 0.220 0.000 0.991 613 E CA 0.807 57.260 56.400 0.089 0.000 0.799 613 E CB -0.149 29.582 29.700 0.052 0.000 0.748 613 E HN 0.564 nan 8.360 nan 0.000 0.449 614 W N 0.961 122.274 121.300 0.022 0.000 2.363 614 W HA -0.094 4.566 4.660 0.001 0.000 0.296 614 W C 1.721 178.288 176.519 0.079 0.000 1.212 614 W CA 1.670 59.031 57.345 0.026 0.000 1.260 614 W CB -0.004 29.446 29.460 -0.016 0.000 1.131 614 W HN 0.084 nan 8.180 nan 0.000 0.530 615 G N 0.378 109.295 108.800 0.195 0.000 2.986 615 G HA2 0.011 3.971 3.960 0.001 0.000 0.213 615 G HA3 0.011 3.971 3.960 0.001 0.000 0.213 615 G C 0.789 175.728 174.900 0.065 0.000 1.156 615 G CA -0.542 44.617 45.100 0.099 0.000 0.763 615 G HN -0.009 nan 8.290 nan 0.000 0.547 616 R N 0.789 121.328 120.500 0.065 0.000 2.734 616 R HA 0.224 4.565 4.340 0.001 0.000 0.266 616 R C -0.110 176.180 176.300 -0.016 0.000 1.044 616 R CA -0.254 55.811 56.100 -0.058 0.000 1.128 616 R CB 0.389 30.524 30.300 -0.275 0.000 1.010 616 R HN 0.095 nan 8.270 nan 0.000 0.461 617 R N 2.181 122.633 120.500 -0.081 0.000 2.357 617 R HA 0.197 4.537 4.340 0.001 0.000 0.296 617 R C -0.881 175.358 176.300 -0.103 0.000 1.052 617 R CA -0.170 55.938 56.100 0.014 0.000 0.988 617 R CB 0.755 31.060 30.300 0.008 0.000 1.025 617 R HN 0.476 nan 8.270 nan 0.000 0.469 618 Y N 0.000 120.327 120.300 0.045 0.000 2.660 618 Y HA 0.000 4.550 4.550 0.001 0.000 0.201 618 Y CA 0.000 58.130 58.100 0.050 0.000 1.940 618 Y CB 0.000 38.498 38.460 0.062 0.000 1.050 618 Y HN 0.000 nan 8.280 nan 0.000 0.758