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 2zj7_1_A DATA FIRST_RESID 2 DATA SEQUENCE GVYDYKNFGT ADSKALFSDA MAITLYSYHN LDNGFAAGYQ HNGFGLGLPA DATA SEQUENCE TLVTALLGGT DSQGVIPGIP WNPDSEKLAL DAVKKAGWTP ITASQLGYDG DATA SEQUENCE KTDARGTFFG EKAGYTTAQV EILGKYDAQG HLTEIGIAFR GTSGPRENLI DATA SEQUENCE LDSIGAVIND LLAAFGPKDY AKNYVGEAFG NLLNDVVAFA KANGLSGKDV DATA SEQUENCE LVSGHSLGGL AVNSMADLSG GKWGGFFADS NYIAYASPTQ SSTDKVLNVG DATA SEQUENCE YENDPVFRAL DGSTFTGASV GVHDAPKESA TDNIVSFNDH YASTAWNLLP DATA SEQUENCE FSILNIPTWI SHLPTAYGDG MNRIIESKFY DLTSKDSTII VANLSDPARA DATA SEQUENCE NTWVQDLNRN AETHKGSTFI IGSDSNDLIQ GGSGNDYLEG RAGNDTFRDG DATA SEQUENCE GGYNVILGGA GNNTLDLQKS VNTFDFANDG AGNLYVRDAN GGISITRDIG DATA SEQUENCE SIVTKEPGFL WGLFKDDVTH SVTASGLKVG SNVTQYDASV KGTNGADTLK DATA SEQUENCE AHAGGDWLFG LDGNDHLIGG VGNDVFVGGA GNDLMESGGG ADTFLFNGAF DATA SEQUENCE GQDRVVGFTS NDKLVFLGVQ GVLPNDDFRA HASMVGQDTV LKFGGDSVTL DATA SEQUENCE VGVALNSLSA DGIVIA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 G HA2 0.000 nan 3.960 nan 0.000 0.244 2 G HA3 0.000 3.275 3.960 -1.142 0.000 0.244 2 G C 0.000 174.638 174.900 -0.436 0.000 0.946 2 G CA 0.000 44.794 45.100 -0.509 0.000 0.502 3 V N 0.410 119.869 119.914 -0.759 0.000 2.594 3 V HA -0.043 3.392 4.120 -1.142 0.000 0.253 3 V C 1.392 177.268 176.094 -0.364 0.000 1.069 3 V CA 1.653 63.590 62.300 -0.605 0.000 1.082 3 V CB -0.615 30.707 31.823 -0.834 0.000 0.680 3 V HN 0.645 nan 8.190 nan 0.000 0.469 4 Y N 0.111 120.411 120.300 0.001 0.000 2.524 4 Y HA 0.402 4.267 4.550 -1.143 0.000 0.266 4 Y C 0.674 176.682 175.900 0.181 0.000 1.180 4 Y CA -1.840 56.306 58.100 0.077 0.000 1.244 4 Y CB -0.768 37.662 38.460 -0.051 0.000 1.125 4 Y HN 0.262 nan 8.280 nan 0.000 0.524 5 D N 0.619 121.175 120.400 0.260 0.000 2.506 5 D HA -0.108 3.846 4.640 -1.142 0.000 0.234 5 D C -0.667 175.839 176.300 0.343 0.000 1.143 5 D CA 0.978 55.139 54.000 0.267 0.000 0.871 5 D CB 0.537 41.435 40.800 0.163 0.000 1.190 5 D HN 0.192 nan 8.370 nan 0.000 0.459 6 Y N 2.018 122.464 120.300 0.242 0.000 2.406 6 Y HA 0.214 4.079 4.550 -1.141 0.000 0.340 6 Y C 0.743 176.859 175.900 0.360 0.000 0.975 6 Y CA -0.756 57.505 58.100 0.268 0.000 1.056 6 Y CB 0.852 39.447 38.460 0.225 0.000 1.210 6 Y HN 0.471 nan 8.280 nan 0.000 0.448 7 K N 2.214 122.408 120.400 -0.343 0.000 1.779 7 K HA -0.390 3.245 4.320 -1.142 0.000 0.128 7 K C -0.348 176.184 176.600 -0.112 0.000 1.288 7 K CA 2.198 58.307 56.287 -0.297 0.000 0.398 7 K CB -0.886 31.384 32.500 -0.383 0.000 0.609 7 K HN 0.895 nan 8.250 nan 0.000 0.874 8 N N -0.066 118.519 118.700 -0.191 0.000 2.401 8 N HA 0.267 4.322 4.740 -1.142 0.000 0.264 8 N C -1.015 174.407 175.510 -0.147 0.000 1.238 8 N CA -0.359 52.607 53.050 -0.140 0.000 0.889 8 N CB 0.248 38.630 38.487 -0.175 0.000 1.196 8 N HN 0.096 nan 8.380 nan 0.000 0.511 9 F N 0.756 120.728 119.950 0.036 0.000 2.406 9 F HA 0.332 4.174 4.527 -1.141 0.000 0.327 9 F C 1.855 177.698 175.800 0.071 0.000 1.153 9 F CA -0.498 57.545 58.000 0.071 0.000 1.218 9 F CB 0.360 39.438 39.000 0.129 0.000 1.215 9 F HN -0.032 nan 8.300 nan 0.000 0.570 10 G N 0.654 109.611 108.800 0.262 0.000 2.699 10 G HA2 0.146 3.420 3.960 -1.142 0.000 0.246 10 G HA3 0.146 3.420 3.960 -1.142 0.000 0.246 10 G C 0.813 175.832 174.900 0.198 0.000 1.219 10 G CA -0.314 44.891 45.100 0.174 0.000 0.866 10 G HN 0.684 nan 8.290 nan 0.000 0.572 11 T N 1.210 115.861 114.554 0.161 0.000 2.665 11 T HA -0.177 3.488 4.350 -1.142 0.000 0.268 11 T C 2.808 177.602 174.700 0.157 0.000 1.035 11 T CA 2.150 64.362 62.100 0.187 0.000 1.151 11 T CB -0.368 68.608 68.868 0.180 0.000 0.862 11 T HN 0.657 nan 8.240 nan 0.000 0.438 12 A N 1.776 124.660 122.820 0.107 0.000 1.873 12 A HA -0.123 3.512 4.320 -1.142 0.000 0.215 12 A C 2.143 179.760 177.584 0.055 0.000 1.186 12 A CA 1.706 53.776 52.037 0.055 0.000 0.616 12 A CB -0.685 18.344 19.000 0.047 0.000 0.823 12 A HN 0.344 nan 8.150 nan 0.000 0.442 13 D N 0.046 120.504 120.400 0.096 0.000 2.123 13 D HA -0.091 3.864 4.640 -1.142 0.000 0.196 13 D C 2.293 178.595 176.300 0.003 0.000 0.992 13 D CA 1.570 55.619 54.000 0.082 0.000 0.833 13 D CB -0.422 40.507 40.800 0.215 0.000 0.954 13 D HN 0.363 nan 8.370 nan 0.000 0.455 14 S N 0.481 116.234 115.700 0.089 0.000 2.370 14 S HA -0.175 3.610 4.470 -1.142 0.000 0.226 14 S C 1.805 176.472 174.600 0.112 0.000 1.033 14 S CA 1.156 59.421 58.200 0.109 0.000 1.011 14 S CB -0.064 63.291 63.200 0.257 0.000 0.852 14 S HN 0.326 nan 8.310 nan 0.000 0.457 15 K N 1.392 121.838 120.400 0.077 0.000 2.025 15 K HA 0.024 3.658 4.320 -1.142 0.000 0.207 15 K C 2.457 179.094 176.600 0.061 0.000 1.049 15 K CA 1.176 57.477 56.287 0.023 0.000 0.933 15 K CB -0.348 32.050 32.500 -0.170 0.000 0.714 15 K HN 0.330 nan 8.250 nan 0.000 0.438 16 A N 1.611 124.441 122.820 0.016 0.000 1.902 16 A HA -0.142 3.493 4.320 -1.142 0.000 0.217 16 A C 2.157 179.744 177.584 0.006 0.000 1.181 16 A CA 1.222 53.265 52.037 0.010 0.000 0.623 16 A CB -0.668 18.326 19.000 -0.009 0.000 0.818 16 A HN 0.169 nan 8.150 nan 0.000 0.443 17 L N -2.126 119.070 121.223 -0.044 0.000 2.017 17 L HA -0.186 3.469 4.340 -1.142 0.000 0.208 17 L C 2.469 179.298 176.870 -0.070 0.000 1.073 17 L CA 1.877 56.658 54.840 -0.099 0.000 0.745 17 L CB -0.519 41.391 42.059 -0.249 0.000 0.894 17 L HN 0.521 nan 8.230 nan 0.000 0.432 18 F N 0.499 120.368 119.950 -0.135 0.000 2.087 18 F HA -0.342 3.499 4.527 -1.144 0.000 0.299 18 F C 2.637 178.382 175.800 -0.093 0.000 1.100 18 F CA 2.183 60.096 58.000 -0.145 0.000 1.226 18 F CB -0.212 38.682 39.000 -0.176 0.000 0.983 18 F HN -0.014 nan 8.300 nan 0.000 0.479 19 S N -0.179 115.554 115.700 0.056 0.000 2.383 19 S HA -0.172 3.613 4.470 -1.142 0.000 0.227 19 S C 1.589 176.151 174.600 -0.062 0.000 1.026 19 S CA 1.166 59.365 58.200 -0.001 0.000 0.981 19 S CB -0.418 62.826 63.200 0.073 0.000 0.818 19 S HN 0.436 nan 8.310 nan 0.000 0.472 20 D N 1.943 122.343 120.400 0.001 0.000 2.097 20 D HA -0.023 3.932 4.640 -1.142 0.000 0.195 20 D C 2.195 178.379 176.300 -0.194 0.000 0.989 20 D CA 1.263 55.306 54.000 0.070 0.000 0.827 20 D CB -0.493 40.459 40.800 0.253 0.000 0.966 20 D HN 0.357 nan 8.370 nan 0.000 0.456 21 A N 0.792 123.464 122.820 -0.248 0.000 1.883 21 A HA -0.229 3.406 4.320 -1.142 0.000 0.217 21 A C 2.170 179.597 177.584 -0.262 0.000 1.186 21 A CA 2.204 54.068 52.037 -0.287 0.000 0.624 21 A CB -0.597 18.223 19.000 -0.299 0.000 0.822 21 A HN 0.198 nan 8.150 nan 0.000 0.444 22 M N 0.108 119.474 119.600 -0.389 0.000 2.132 22 M HA 0.019 3.814 4.480 -1.142 0.000 0.263 22 M C 2.158 178.263 176.300 -0.325 0.000 1.065 22 M CA 1.611 56.606 55.300 -0.508 0.000 1.122 22 M CB -0.772 31.456 32.600 -0.619 0.000 1.365 22 M HN 0.387 nan 8.290 nan 0.000 0.411 23 A N 0.624 123.303 122.820 -0.235 0.000 1.883 23 A HA -0.165 3.470 4.320 -1.142 0.000 0.217 23 A C 2.181 179.638 177.584 -0.211 0.000 1.186 23 A CA 2.153 54.091 52.037 -0.164 0.000 0.624 23 A CB -1.428 17.540 19.000 -0.052 0.000 0.822 23 A HN 0.792 nan 8.150 nan 0.000 0.444 24 I N -3.426 116.929 120.570 -0.358 0.000 2.439 24 I HA -0.096 3.389 4.170 -1.142 0.000 0.251 24 I C 2.065 178.037 176.117 -0.241 0.000 1.139 24 I CA 1.956 63.020 61.300 -0.393 0.000 1.438 24 I CB -1.022 36.549 38.000 -0.715 0.000 1.085 24 I HN 0.113 nan 8.210 nan 0.000 0.427 25 T N 2.443 116.853 114.554 -0.239 0.000 2.708 25 T HA -0.065 3.600 4.350 -1.142 0.000 0.266 25 T C 2.030 176.644 174.700 -0.143 0.000 1.037 25 T CA 1.826 63.814 62.100 -0.187 0.000 1.146 25 T CB -0.397 68.371 68.868 -0.167 0.000 0.865 25 T HN 0.326 nan 8.240 nan 0.000 0.435 26 L N -0.326 120.809 121.223 -0.147 0.000 2.046 26 L HA -0.120 3.535 4.340 -1.142 0.000 0.208 26 L C 2.413 179.235 176.870 -0.080 0.000 1.077 26 L CA 1.622 56.409 54.840 -0.087 0.000 0.747 26 L CB -0.599 41.392 42.059 -0.113 0.000 0.896 26 L HN 0.292 nan 8.230 nan 0.000 0.432 27 Y N 1.130 121.290 120.300 -0.234 0.000 2.165 27 Y HA -0.320 3.546 4.550 -1.139 0.000 0.286 27 Y C 2.945 178.521 175.900 -0.541 0.000 1.155 27 Y CA 1.534 59.445 58.100 -0.315 0.000 1.164 27 Y CB -0.427 37.868 38.460 -0.276 0.000 0.978 27 Y HN 0.282 nan 8.280 nan 0.000 0.513 28 S N -1.068 114.288 115.700 -0.573 0.000 2.419 28 S HA -0.265 3.519 4.470 -1.142 0.000 0.235 28 S C 1.651 175.838 174.600 -0.689 0.000 1.019 28 S CA 1.416 59.199 58.200 -0.695 0.000 0.982 28 S CB -1.182 61.739 63.200 -0.464 0.000 0.789 28 S HN 0.552 nan 8.310 nan 0.000 0.490 29 Y N 1.678 121.731 120.300 -0.411 0.000 2.546 29 Y HA 0.179 4.055 4.550 -1.124 0.000 0.287 29 Y C 0.824 176.623 175.900 -0.168 0.000 1.158 29 Y CA 0.329 58.293 58.100 -0.226 0.000 1.307 29 Y CB -0.534 37.817 38.460 -0.182 0.000 1.036 29 Y HN 0.401 nan 8.280 nan 0.000 0.532 30 H N 0.258 119.252 119.070 -0.128 0.000 2.655 30 H HA -0.253 3.616 4.556 -1.144 0.000 0.313 30 H C 0.170 175.479 175.328 -0.031 0.000 1.141 30 H CA 0.818 56.782 56.048 -0.141 0.000 1.138 30 H CB -1.712 27.947 29.762 -0.171 0.000 1.446 30 H HN 0.503 nan 8.280 nan 0.000 0.415 31 N N -1.327 117.399 118.700 0.043 0.000 2.782 31 N HA -0.213 3.842 4.740 -1.142 0.000 0.251 31 N C 1.523 177.058 175.510 0.041 0.000 1.101 31 N CA 0.906 53.971 53.050 0.026 0.000 0.764 31 N CB -1.229 37.267 38.487 0.016 0.000 1.122 31 N HN 0.502 nan 8.380 nan 0.000 0.561 32 L N 1.711 122.974 121.223 0.067 0.000 2.034 32 L HA -0.216 3.439 4.340 -1.142 0.000 0.217 32 L C 1.792 178.682 176.870 0.032 0.000 1.077 32 L CA 2.809 57.690 54.840 0.069 0.000 0.769 32 L CB -0.156 41.960 42.059 0.096 0.000 0.890 32 L HN 0.295 nan 8.230 nan 0.000 0.435 33 D N -2.144 118.235 120.400 -0.036 0.000 2.368 33 D HA -0.099 3.856 4.640 -1.142 0.000 0.218 33 D C 1.450 177.801 176.300 0.086 0.000 1.112 33 D CA 0.033 54.040 54.000 0.011 0.000 0.834 33 D CB -0.945 39.794 40.800 -0.101 0.000 0.953 33 D HN 0.486 nan 8.370 nan 0.000 0.505 34 N N 1.168 119.903 118.700 0.059 0.000 2.142 34 N HA -0.112 3.943 4.740 -1.142 0.000 0.186 34 N C 1.865 177.427 175.510 0.086 0.000 1.023 34 N CA 1.535 54.619 53.050 0.056 0.000 0.852 34 N CB -0.186 38.315 38.487 0.024 0.000 0.998 34 N HN 0.318 nan 8.380 nan 0.000 0.424 35 G N 0.400 109.268 108.800 0.113 0.000 2.433 35 G HA2 -0.263 3.012 3.960 -1.142 0.000 0.216 35 G HA3 -0.263 3.012 3.960 -1.142 0.000 0.216 35 G C 1.422 176.414 174.900 0.153 0.000 1.186 35 G CA 0.550 45.727 45.100 0.128 0.000 0.779 35 G HN 0.376 nan 8.290 nan 0.000 0.543 36 F N 2.437 122.435 119.950 0.080 0.000 2.069 36 F HA -0.045 4.595 4.527 0.189 0.000 0.298 36 F C 2.888 178.763 175.800 0.125 0.000 1.113 36 F CA 1.838 59.898 58.000 0.101 0.000 1.214 36 F CB -0.397 38.650 39.000 0.078 0.000 0.978 36 F HN 0.238 nan 8.300 nan 0.000 0.474 37 A N 0.456 123.398 122.820 0.205 0.000 1.917 37 A HA -0.181 3.454 4.320 -1.142 0.000 0.219 37 A C 2.401 180.031 177.584 0.076 0.000 1.182 37 A CA 2.185 54.290 52.037 0.114 0.000 0.633 37 A CB -1.678 17.392 19.000 0.117 0.000 0.819 37 A HN 0.588 nan 8.150 nan 0.000 0.448 38 A N -0.636 122.216 122.820 0.053 0.000 1.902 38 A HA 0.112 3.747 4.320 -1.142 0.000 0.217 38 A C 2.443 180.045 177.584 0.030 0.000 1.181 38 A CA 2.032 54.095 52.037 0.043 0.000 0.623 38 A CB -1.421 17.596 19.000 0.027 0.000 0.818 38 A HN 0.758 nan 8.150 nan 0.000 0.443 39 G N -1.627 107.160 108.800 -0.021 0.000 2.421 39 G HA2 -0.277 2.998 3.960 -1.142 0.000 0.216 39 G HA3 -0.277 2.998 3.960 -1.142 0.000 0.216 39 G C 1.557 176.423 174.900 -0.057 0.000 1.171 39 G CA 1.254 46.333 45.100 -0.034 0.000 0.775 39 G HN 0.617 nan 8.290 nan 0.000 0.543 40 Y N 1.176 121.278 120.300 -0.330 0.000 2.114 40 Y HA -0.260 3.603 4.550 -1.146 0.000 0.282 40 Y C 2.946 178.800 175.900 -0.077 0.000 1.165 40 Y CA 2.571 60.518 58.100 -0.256 0.000 1.148 40 Y CB -0.260 37.963 38.460 -0.395 0.000 0.972 40 Y HN 0.299 nan 8.280 nan 0.000 0.504 41 Q N -0.719 119.080 119.800 -0.002 0.000 2.079 41 Q HA -0.208 3.447 4.340 -1.142 0.000 0.200 41 Q C 2.141 178.089 176.000 -0.086 0.000 0.974 41 Q CA 2.271 58.039 55.803 -0.058 0.000 0.840 41 Q CB -0.580 28.213 28.738 0.092 0.000 0.898 41 Q HN 0.728 nan 8.270 nan 0.000 0.430 42 H N -0.973 118.038 119.070 -0.099 0.000 2.395 42 H HA 0.111 3.978 4.556 -1.148 0.000 0.299 42 H C 0.851 176.122 175.328 -0.094 0.000 1.070 42 H CA 2.003 58.005 56.048 -0.076 0.000 1.356 42 H CB 0.231 29.967 29.762 -0.042 0.000 1.401 42 H HN 0.430 nan 8.280 nan 0.000 0.524 43 N N -1.093 117.561 118.700 -0.077 0.000 2.317 43 N HA 0.280 4.335 4.740 -1.142 0.000 0.199 43 N C 0.081 175.534 175.510 -0.094 0.000 1.145 43 N CA 0.243 53.248 53.050 -0.075 0.000 0.882 43 N CB 1.996 40.498 38.487 0.026 0.000 1.113 43 N HN 0.445 nan 8.380 nan 0.000 0.486 44 G N 1.008 109.697 108.800 -0.185 0.000 2.483 44 G HA2 -0.207 3.068 3.960 -1.142 0.000 0.521 44 G HA3 -0.207 3.068 3.960 -1.142 0.000 0.521 44 G C -1.180 173.815 174.900 0.159 0.000 1.278 44 G CA -0.590 44.443 45.100 -0.111 0.000 0.965 44 G HN 0.155 nan 8.290 nan 0.000 0.504 45 F N 1.774 121.841 119.950 0.196 0.000 2.814 45 F HA 0.526 4.269 4.527 -1.306 0.000 0.326 45 F C 1.684 177.832 175.800 0.580 0.000 1.159 45 F CA 0.767 59.008 58.000 0.402 0.000 1.234 45 F CB 0.196 39.474 39.000 0.462 0.000 1.016 45 F HN 0.817 nan 8.300 nan 0.000 0.510 46 G N 0.844 109.856 108.800 0.353 0.000 2.408 46 G HA2 -0.173 3.101 3.960 -1.142 0.000 0.217 46 G HA3 -0.173 3.101 3.960 -1.142 0.000 0.217 46 G C 1.489 176.468 174.900 0.131 0.000 1.150 46 G CA 0.643 45.865 45.100 0.205 0.000 0.776 46 G HN 0.413 nan 8.290 nan 0.000 0.542 47 L N 0.857 122.158 121.223 0.130 0.000 2.633 47 L HA 0.188 3.843 4.340 -1.142 0.000 0.235 47 L C 1.880 178.814 176.870 0.107 0.000 1.163 47 L CA 0.200 55.108 54.840 0.113 0.000 0.859 47 L CB -0.891 41.238 42.059 0.117 0.000 0.973 47 L HN 0.453 nan 8.230 nan 0.000 0.451 48 G N 0.599 109.354 108.800 -0.076 0.000 2.601 48 G HA2 -0.328 2.947 3.960 -1.142 0.000 0.252 48 G HA3 -0.328 2.947 3.960 -1.142 0.000 0.252 48 G C -0.781 174.125 174.900 0.010 0.000 1.294 48 G CA -0.099 44.708 45.100 -0.490 0.000 0.912 48 G HN 0.120 nan 8.290 nan 0.000 0.574 49 L N 1.860 123.156 121.223 0.122 0.000 2.381 49 L HA 0.612 4.267 4.340 -1.142 0.000 0.274 49 L C -1.823 175.085 176.870 0.063 0.000 0.988 49 L CA -1.942 53.020 54.840 0.202 0.000 0.824 49 L CB 2.256 44.393 42.059 0.131 0.000 1.263 49 L HN 0.618 nan 8.230 nan 0.000 0.410 50 P HA 0.100 nan 4.420 nan 0.000 0.271 50 P C 0.173 177.434 177.300 -0.064 0.000 1.220 50 P CA -0.275 62.835 63.100 0.017 0.000 0.768 50 P CB 1.573 33.304 31.700 0.052 0.000 0.848 51 A N 3.605 126.383 122.820 -0.070 0.000 2.139 51 A HA -0.182 3.452 4.320 -1.142 0.000 0.221 51 A C 1.976 179.487 177.584 -0.122 0.000 1.159 51 A CA 2.190 54.149 52.037 -0.129 0.000 0.662 51 A CB -1.519 17.417 19.000 -0.107 0.000 0.796 51 A HN 0.679 nan 8.150 nan 0.000 0.463 52 T N -2.544 111.969 114.554 -0.069 0.000 2.951 52 T HA -0.072 3.593 4.350 -1.142 0.000 0.268 52 T C 1.684 176.356 174.700 -0.046 0.000 1.073 52 T CA 1.277 63.351 62.100 -0.044 0.000 1.134 52 T CB -0.326 68.537 68.868 -0.009 0.000 0.884 52 T HN 0.216 nan 8.240 nan 0.000 0.479 53 L N 1.436 122.615 121.223 -0.074 0.000 2.072 53 L HA 0.159 3.814 4.340 -1.142 0.000 0.205 53 L C 2.579 179.400 176.870 -0.080 0.000 1.079 53 L CA 1.173 55.964 54.840 -0.082 0.000 0.752 53 L CB -0.768 41.186 42.059 -0.176 0.000 0.906 53 L HN 0.165 nan 8.230 nan 0.000 0.436 54 V N -0.196 119.611 119.914 -0.179 0.000 2.343 54 V HA -0.307 3.127 4.120 -1.142 0.000 0.247 54 V C 2.695 178.684 176.094 -0.175 0.000 1.051 54 V CA 2.198 64.307 62.300 -0.318 0.000 1.036 54 V CB -1.517 29.856 31.823 -0.750 0.000 0.654 54 V HN 0.737 nan 8.190 nan 0.000 0.451 55 T N -1.143 113.335 114.554 -0.127 0.000 2.867 55 T HA -0.077 3.588 4.350 -1.142 0.000 0.268 55 T C 1.935 176.656 174.700 0.035 0.000 1.057 55 T CA 1.342 63.417 62.100 -0.042 0.000 1.136 55 T CB -0.420 68.424 68.868 -0.040 0.000 0.874 55 T HN 0.459 nan 8.240 nan 0.000 0.466 56 A N 1.982 124.827 122.820 0.041 0.000 1.877 56 A HA 0.114 3.749 4.320 -1.142 0.000 0.216 56 A C 2.443 180.122 177.584 0.158 0.000 1.186 56 A CA 1.476 53.568 52.037 0.091 0.000 0.620 56 A CB -1.007 18.039 19.000 0.076 0.000 0.822 56 A HN 0.539 nan 8.150 nan 0.000 0.443 57 L N -0.820 120.509 121.223 0.177 0.000 2.012 57 L HA -0.215 3.440 4.340 -1.142 0.000 0.210 57 L C 2.500 179.567 176.870 0.328 0.000 1.073 57 L CA 1.404 56.429 54.840 0.308 0.000 0.748 57 L CB -0.503 41.787 42.059 0.385 0.000 0.891 57 L HN 0.381 nan 8.230 nan 0.000 0.431 58 L N -1.466 119.917 121.223 0.267 0.000 2.249 58 L HA 0.057 3.712 4.340 -1.142 0.000 0.207 58 L C 2.406 179.399 176.870 0.205 0.000 1.090 58 L CA 0.902 55.898 54.840 0.261 0.000 0.802 58 L CB -0.637 41.564 42.059 0.236 0.000 0.947 58 L HN 0.266 nan 8.230 nan 0.000 0.453 59 G N -0.858 108.039 108.800 0.161 0.000 2.709 59 G HA2 0.422 3.696 3.960 -1.142 0.000 0.208 59 G HA3 0.422 3.696 3.960 -1.142 0.000 0.208 59 G C 0.745 175.733 174.900 0.147 0.000 1.129 59 G CA 0.566 45.747 45.100 0.135 0.000 0.793 59 G HN 0.480 nan 8.290 nan 0.000 0.524 60 G N -1.148 107.745 108.800 0.156 0.000 2.661 60 G HA2 0.315 3.590 3.960 -1.142 0.000 0.685 60 G HA3 0.315 3.590 3.960 -1.142 0.000 0.685 60 G C -0.425 174.553 174.900 0.129 0.000 1.298 60 G CA -0.331 44.862 45.100 0.155 0.000 0.855 60 G HN 1.052 nan 8.290 nan 0.000 0.560 61 T N -1.303 113.328 114.554 0.128 0.000 2.900 61 T HA 0.590 4.255 4.350 -1.142 0.000 0.295 61 T C -0.990 173.765 174.700 0.093 0.000 1.044 61 T CA -0.120 62.042 62.100 0.103 0.000 0.995 61 T CB 2.222 71.153 68.868 0.105 0.000 1.072 61 T HN 1.062 nan 8.240 nan 0.000 0.473 62 D N 1.408 121.849 120.400 0.068 0.000 2.396 62 D HA 0.536 4.491 4.640 -1.142 0.000 0.225 62 D C 0.074 176.406 176.300 0.054 0.000 1.121 62 D CA -0.243 53.788 54.000 0.051 0.000 0.853 62 D CB 0.419 41.237 40.800 0.029 0.000 1.043 62 D HN 0.680 nan 8.370 nan 0.000 0.500 63 S N 2.407 118.146 115.700 0.065 0.000 2.880 63 S HA 0.408 4.193 4.470 -1.142 0.000 0.308 63 S C -0.604 174.058 174.600 0.103 0.000 1.195 63 S CA -1.088 57.169 58.200 0.094 0.000 0.866 63 S CB 0.895 64.165 63.200 0.118 0.000 1.254 63 S HN 0.425 nan 8.310 nan 0.000 0.571 64 Q N 0.435 120.335 119.800 0.168 0.000 2.430 64 Q HA 0.566 4.220 4.340 -1.142 0.000 0.245 64 Q C -0.111 176.218 176.000 0.548 0.000 1.021 64 Q CA -0.357 55.614 55.803 0.280 0.000 0.867 64 Q CB 0.458 29.326 28.738 0.216 0.000 1.210 64 Q HN 0.869 nan 8.270 nan 0.000 0.487 65 G N 0.922 109.910 108.800 0.314 0.000 3.243 65 G HA2 0.446 3.721 3.960 -1.142 0.000 0.248 65 G HA3 0.446 3.721 3.960 -1.142 0.000 0.248 65 G C -1.536 173.253 174.900 -0.184 0.000 1.267 65 G CA -0.381 44.673 45.100 -0.077 0.000 0.906 65 G HN 0.389 nan 8.290 nan 0.000 0.592 66 V N 1.494 121.203 119.914 -0.342 0.000 2.284 66 V HA 0.537 3.972 4.120 -1.142 0.000 0.274 66 V C -0.474 175.571 176.094 -0.083 0.000 1.023 66 V CA -0.807 61.384 62.300 -0.181 0.000 0.808 66 V CB 0.109 31.783 31.823 -0.248 0.000 1.035 66 V HN 0.547 nan 8.190 nan 0.000 0.445 67 I N 6.592 127.154 120.570 -0.013 0.000 2.330 67 I HA 0.728 4.213 4.170 -1.142 0.000 0.289 67 I C -2.500 173.633 176.117 0.027 0.000 1.001 67 I CA -2.067 59.234 61.300 0.002 0.000 1.193 67 I CB 1.675 39.680 38.000 0.009 0.000 1.345 67 I HN 0.338 nan 8.210 nan 0.000 0.461 68 P HA 0.332 nan 4.420 nan 0.000 0.283 68 P C 0.086 177.417 177.300 0.053 0.000 1.278 68 P CA -0.463 62.665 63.100 0.047 0.000 0.834 68 P CB 1.308 33.028 31.700 0.034 0.000 1.150 69 G N 0.843 109.691 108.800 0.080 0.000 3.515 69 G HA2 0.518 3.793 3.960 -1.142 0.000 0.288 69 G HA3 0.518 3.793 3.960 -1.142 0.000 0.288 69 G C -0.526 174.478 174.900 0.173 0.000 1.012 69 G CA -0.295 44.873 45.100 0.114 0.000 1.689 69 G HN 0.274 nan 8.290 nan 0.000 0.572 70 I N 1.470 122.134 120.570 0.157 0.000 2.410 70 I HA 0.355 3.840 4.170 -1.142 0.000 0.286 70 I C -2.361 173.865 176.117 0.182 0.000 1.009 70 I CA -2.425 58.998 61.300 0.205 0.000 1.111 70 I CB 2.324 40.427 38.000 0.172 0.000 1.262 70 I HN 0.048 nan 8.210 nan 0.000 0.443 71 P HA 0.077 nan 4.420 nan 0.000 0.274 71 P C -1.037 176.425 177.300 0.270 0.000 1.246 71 P CA -0.373 62.841 63.100 0.191 0.000 0.795 71 P CB 0.447 32.238 31.700 0.152 0.000 1.006 72 W N 2.324 123.651 121.300 0.045 0.000 2.266 72 W HA 0.183 4.151 4.660 -1.153 0.000 0.317 72 W C 0.341 176.879 176.519 0.032 0.000 1.310 72 W CA 0.472 57.839 57.345 0.037 0.000 1.207 72 W CB -0.682 28.796 29.460 0.029 0.000 1.199 72 W HN 0.445 nan 8.180 nan 0.000 0.544 73 N N 2.728 121.435 118.700 0.012 0.000 2.814 73 N HA -0.175 3.880 4.740 -1.142 0.000 0.247 73 N C -2.243 172.787 175.510 -0.799 0.000 1.089 73 N CA 0.945 53.870 53.050 -0.208 0.000 0.682 73 N CB -1.235 37.241 38.487 -0.017 0.000 0.970 73 N HN 0.246 nan 8.380 nan 0.000 0.554 74 P HA 0.037 nan 4.420 nan 0.000 0.215 74 P C 0.819 177.749 177.300 -0.617 0.000 1.160 74 P CA 0.874 63.405 63.100 -0.948 0.000 0.869 74 P CB 0.250 31.681 31.700 -0.449 0.000 0.782 75 D N -0.961 119.238 120.400 -0.335 0.000 2.363 75 D HA 0.003 3.958 4.640 -1.142 0.000 0.220 75 D C 1.827 178.031 176.300 -0.160 0.000 0.994 75 D CA 0.507 54.386 54.000 -0.201 0.000 0.890 75 D CB -0.405 40.322 40.800 -0.122 0.000 0.906 75 D HN 0.036 nan 8.370 nan 0.000 0.530 76 S N 1.088 116.672 115.700 -0.194 0.000 2.378 76 S HA -0.277 3.508 4.470 -1.142 0.000 0.229 76 S C 1.885 176.468 174.600 -0.028 0.000 1.052 76 S CA 1.796 59.934 58.200 -0.103 0.000 1.084 76 S CB -0.155 62.981 63.200 -0.107 0.000 0.950 76 S HN 0.314 nan 8.310 nan 0.000 0.440 77 E N 1.640 121.828 120.200 -0.021 0.000 2.150 77 E HA -0.119 3.546 4.350 -1.142 0.000 0.193 77 E C 1.848 178.492 176.600 0.073 0.000 0.985 77 E CA 1.498 57.928 56.400 0.051 0.000 0.814 77 E CB -0.288 29.424 29.700 0.020 0.000 0.752 77 E HN 0.530 nan 8.360 nan 0.000 0.466 78 K N -0.131 120.282 120.400 0.021 0.000 2.148 78 K HA -0.067 3.567 4.320 -1.142 0.000 0.204 78 K C 1.992 178.611 176.600 0.031 0.000 1.050 78 K CA 1.275 57.577 56.287 0.025 0.000 0.942 78 K CB -0.147 32.348 32.500 -0.007 0.000 0.724 78 K HN 0.235 nan 8.250 nan 0.000 0.446 79 L N 0.265 121.498 121.223 0.017 0.000 2.072 79 L HA -0.020 3.635 4.340 -1.142 0.000 0.205 79 L C 2.631 179.532 176.870 0.051 0.000 1.079 79 L CA 0.956 55.807 54.840 0.019 0.000 0.752 79 L CB -0.563 41.494 42.059 -0.003 0.000 0.906 79 L HN 0.287 nan 8.230 nan 0.000 0.436 80 A N 0.064 122.933 122.820 0.081 0.000 1.940 80 A HA -0.247 3.388 4.320 -1.142 0.000 0.219 80 A C 2.201 179.940 177.584 0.258 0.000 1.176 80 A CA 1.938 54.062 52.037 0.145 0.000 0.631 80 A CB -0.617 18.455 19.000 0.119 0.000 0.814 80 A HN 0.338 nan 8.150 nan 0.000 0.446 81 L N -0.252 121.112 121.223 0.235 0.000 2.068 81 L HA -0.056 3.599 4.340 -1.142 0.000 0.204 81 L C 1.726 178.618 176.870 0.038 0.000 1.076 81 L CA 2.240 57.183 54.840 0.173 0.000 0.753 81 L CB -0.638 41.539 42.059 0.197 0.000 0.910 81 L HN 0.317 nan 8.230 nan 0.000 0.439 82 D N 0.441 120.864 120.400 0.038 0.000 2.154 82 D HA -0.295 3.660 4.640 -1.142 0.000 0.190 82 D C 2.149 178.453 176.300 0.007 0.000 1.003 82 D CA 1.941 55.949 54.000 0.013 0.000 0.849 82 D CB -0.433 40.374 40.800 0.012 0.000 0.942 82 D HN 0.505 nan 8.370 nan 0.000 0.446 83 A N 0.626 123.458 122.820 0.020 0.000 1.908 83 A HA -0.157 3.477 4.320 -1.142 0.000 0.218 83 A C 2.501 180.090 177.584 0.008 0.000 1.181 83 A CA 1.594 53.641 52.037 0.017 0.000 0.627 83 A CB -0.884 18.131 19.000 0.026 0.000 0.818 83 A HN 0.205 nan 8.150 nan 0.000 0.445 84 V N -0.405 119.496 119.914 -0.022 0.000 2.453 84 V HA -0.197 3.238 4.120 -1.142 0.000 0.247 84 V C 2.383 178.479 176.094 0.004 0.000 1.048 84 V CA 2.467 64.721 62.300 -0.076 0.000 1.049 84 V CB -0.463 31.132 31.823 -0.380 0.000 0.672 84 V HN 0.609 nan 8.190 nan 0.000 0.457 85 K N -0.542 119.839 120.400 -0.033 0.000 2.097 85 K HA -0.174 3.460 4.320 -1.142 0.000 0.205 85 K C 2.213 178.806 176.600 -0.011 0.000 1.050 85 K CA 1.315 57.593 56.287 -0.016 0.000 0.938 85 K CB -0.151 32.332 32.500 -0.029 0.000 0.718 85 K HN 0.189 nan 8.250 nan 0.000 0.442 86 K N 0.522 120.919 120.400 -0.005 0.000 2.152 86 K HA -0.071 3.564 4.320 -1.142 0.000 0.206 86 K C 1.546 178.145 176.600 -0.002 0.000 1.048 86 K CA 1.294 57.577 56.287 -0.007 0.000 0.933 86 K CB -0.126 32.374 32.500 -0.001 0.000 0.721 86 K HN 0.159 nan 8.250 nan 0.000 0.447 87 A N -1.029 121.812 122.820 0.035 0.000 2.238 87 A HA 0.314 3.948 4.320 -1.142 0.000 0.208 87 A C 1.281 178.875 177.584 0.016 0.000 1.177 87 A CA 0.848 52.931 52.037 0.076 0.000 0.804 87 A CB -0.360 18.734 19.000 0.157 0.000 0.823 87 A HN 0.362 nan 8.150 nan 0.000 0.482 88 G N -2.912 105.837 108.800 -0.085 0.000 2.176 88 G HA2 -0.238 3.037 3.960 -1.142 0.000 0.232 88 G HA3 -0.238 3.037 3.960 -1.142 0.000 0.232 88 G C -0.233 174.402 174.900 -0.442 0.000 0.986 88 G CA -0.068 44.854 45.100 -0.296 0.000 0.643 88 G HN 0.420 nan 8.290 nan 0.000 0.522 89 W N 0.489 121.739 121.300 -0.083 0.000 2.496 89 W HA 0.708 4.684 4.660 -1.140 0.000 0.327 89 W C 0.200 176.662 176.519 -0.096 0.000 1.086 89 W CA -0.475 56.812 57.345 -0.096 0.000 1.222 89 W CB 1.870 31.227 29.460 -0.171 0.000 1.304 89 W HN 0.051 nan 8.180 nan 0.000 0.547 90 T N 3.556 118.239 114.554 0.214 0.000 2.879 90 T HA 0.320 3.985 4.350 -1.142 0.000 0.290 90 T C -2.658 172.116 174.700 0.124 0.000 0.993 90 T CA -1.641 60.529 62.100 0.117 0.000 0.975 90 T CB 1.612 70.550 68.868 0.117 0.000 0.981 90 T HN -0.106 nan 8.240 nan 0.000 0.439 91 P HA 0.121 nan 4.420 nan 0.000 0.261 91 P C -0.535 176.819 177.300 0.091 0.000 1.173 91 P CA 0.073 63.209 63.100 0.060 0.000 0.760 91 P CB 0.219 31.954 31.700 0.059 0.000 0.783 92 I N 2.574 123.199 120.570 0.092 0.000 2.395 92 I HA 0.145 3.630 4.170 -1.142 0.000 0.289 92 I C 1.260 177.426 176.117 0.082 0.000 1.023 92 I CA -0.291 61.035 61.300 0.043 0.000 1.350 92 I CB 1.016 38.937 38.000 -0.131 0.000 1.409 92 I HN 0.331 nan 8.210 nan 0.000 0.507 93 T N 2.647 117.229 114.554 0.048 0.000 2.899 93 T HA 0.338 4.003 4.350 -1.142 0.000 0.295 93 T C 1.243 176.029 174.700 0.144 0.000 1.033 93 T CA -0.254 61.888 62.100 0.070 0.000 1.084 93 T CB 1.650 70.543 68.868 0.043 0.000 0.979 93 T HN 0.678 nan 8.240 nan 0.000 0.532 94 A N 1.840 124.783 122.820 0.205 0.000 1.958 94 A HA -0.112 3.523 4.320 -1.142 0.000 0.221 94 A C 2.693 180.408 177.584 0.218 0.000 1.178 94 A CA 2.487 54.732 52.037 0.346 0.000 0.642 94 A CB -1.480 17.729 19.000 0.348 0.000 0.816 94 A HN 1.048 nan 8.150 nan 0.000 0.453 95 S N -1.042 114.737 115.700 0.132 0.000 2.357 95 S HA -0.224 3.561 4.470 -1.142 0.000 0.221 95 S C 2.118 176.773 174.600 0.092 0.000 1.031 95 S CA 1.510 59.772 58.200 0.103 0.000 0.982 95 S CB -0.467 62.779 63.200 0.076 0.000 0.853 95 S HN 0.657 nan 8.310 nan 0.000 0.458 96 Q N 0.210 120.051 119.800 0.068 0.000 2.152 96 Q HA -0.084 3.570 4.340 -1.142 0.000 0.206 96 Q C 2.123 178.123 176.000 -0.000 0.000 0.985 96 Q CA 1.783 57.623 55.803 0.063 0.000 0.863 96 Q CB -0.351 28.388 28.738 0.001 0.000 0.904 96 Q HN 0.568 nan 8.270 nan 0.000 0.422 97 L N -1.239 119.928 121.223 -0.093 0.000 2.395 97 L HA 0.054 3.709 4.340 -1.142 0.000 0.218 97 L C 1.252 178.176 176.870 0.091 0.000 1.130 97 L CA 0.469 55.253 54.840 -0.093 0.000 0.826 97 L CB -0.257 41.704 42.059 -0.164 0.000 0.941 97 L HN 0.440 nan 8.230 nan 0.000 0.451 98 G N -0.253 108.622 108.800 0.126 0.000 2.198 98 G HA2 -0.357 2.918 3.960 -1.142 0.000 0.260 98 G HA3 -0.357 2.918 3.960 -1.142 0.000 0.260 98 G C -0.033 174.967 174.900 0.167 0.000 1.025 98 G CA 0.017 45.194 45.100 0.128 0.000 0.769 98 G HN 0.354 nan 8.290 nan 0.000 0.507 99 Y N 1.091 121.430 120.300 0.065 0.000 2.316 99 Y HA 0.498 4.363 4.550 -1.142 0.000 0.331 99 Y C 1.020 176.984 175.900 0.106 0.000 1.083 99 Y CA -0.448 57.707 58.100 0.091 0.000 1.206 99 Y CB 1.036 39.581 38.460 0.143 0.000 1.195 99 Y HN 0.067 nan 8.280 nan 0.000 0.497 100 D N 3.130 123.312 120.400 -0.363 0.000 2.277 100 D HA 0.061 4.016 4.640 -1.142 0.000 0.208 100 D C 1.021 177.130 176.300 -0.318 0.000 0.962 100 D CA 0.858 54.704 54.000 -0.257 0.000 0.865 100 D CB 0.038 40.729 40.800 -0.181 0.000 0.939 100 D HN 0.773 nan 8.370 nan 0.000 0.510 101 G N 0.386 108.735 108.800 -0.751 0.000 2.510 101 G HA2 0.320 3.595 3.960 -1.142 0.000 0.280 101 G HA3 0.320 3.595 3.960 -1.142 0.000 0.280 101 G C -0.006 174.965 174.900 0.118 0.000 1.386 101 G CA -0.550 44.358 45.100 -0.319 0.000 1.047 101 G HN 0.117 nan 8.290 nan 0.000 0.527 102 K N -1.457 119.103 120.400 0.266 0.000 2.098 102 K HA 0.620 4.255 4.320 -1.142 0.000 0.261 102 K C -0.827 175.975 176.600 0.337 0.000 0.987 102 K CA -0.491 55.948 56.287 0.253 0.000 0.916 102 K CB 1.404 33.993 32.500 0.149 0.000 1.039 102 K HN 0.505 nan 8.250 nan 0.000 0.455 103 T N -0.766 113.875 114.554 0.145 0.000 2.893 103 T HA 0.227 3.892 4.350 -1.142 0.000 0.293 103 T C -0.561 174.197 174.700 0.097 0.000 1.027 103 T CA -1.025 61.072 62.100 -0.006 0.000 0.988 103 T CB 1.402 70.032 68.868 -0.397 0.000 1.043 103 T HN 0.761 nan 8.240 nan 0.000 0.461 104 D N 1.711 122.237 120.400 0.210 0.000 2.425 104 D HA 0.408 4.363 4.640 -1.142 0.000 0.274 104 D C 1.612 177.921 176.300 0.015 0.000 1.242 104 D CA -0.405 53.678 54.000 0.138 0.000 1.060 104 D CB -0.041 40.915 40.800 0.260 0.000 1.112 104 D HN 0.626 nan 8.370 nan 0.000 0.561 105 A N -0.861 121.960 122.820 0.001 0.000 2.121 105 A HA -0.078 3.557 4.320 -1.142 0.000 0.218 105 A C 2.071 179.633 177.584 -0.037 0.000 1.154 105 A CA 0.897 52.923 52.037 -0.018 0.000 0.679 105 A CB -0.567 18.427 19.000 -0.012 0.000 0.795 105 A HN 0.482 nan 8.150 nan 0.000 0.458 106 R N -1.692 118.765 120.500 -0.072 0.000 2.280 106 R HA 0.246 3.901 4.340 -1.142 0.000 0.195 106 R C 1.314 177.589 176.300 -0.041 0.000 0.935 106 R CA 0.702 56.752 56.100 -0.083 0.000 1.033 106 R CB 0.097 30.235 30.300 -0.270 0.000 0.964 106 R HN 0.628 nan 8.270 nan 0.000 0.489 107 G N 0.323 109.056 108.800 -0.113 0.000 2.157 107 G HA2 -0.260 3.015 3.960 -1.142 0.000 0.248 107 G HA3 -0.260 3.015 3.960 -1.142 0.000 0.248 107 G C 0.106 174.743 174.900 -0.438 0.000 0.979 107 G CA 0.183 45.146 45.100 -0.228 0.000 0.650 107 G HN 0.290 nan 8.290 nan 0.000 0.529 108 T N 1.311 115.662 114.554 -0.339 0.000 2.870 108 T HA 0.519 4.184 4.350 -1.142 0.000 0.300 108 T C 0.364 174.649 174.700 -0.691 0.000 0.989 108 T CA 0.258 62.103 62.100 -0.425 0.000 1.139 108 T CB 0.637 69.280 68.868 -0.375 0.000 0.920 108 T HN 0.221 nan 8.240 nan 0.000 0.537 109 F N 1.724 121.410 119.950 -0.440 0.000 2.380 109 F HA 0.665 4.506 4.527 -1.143 0.000 0.321 109 F C 0.099 175.619 175.800 -0.466 0.000 1.103 109 F CA -0.987 56.822 58.000 -0.319 0.000 1.067 109 F CB 0.813 39.621 39.000 -0.320 0.000 1.265 109 F HN 0.423 nan 8.300 nan 0.000 0.517 110 F N -0.345 119.888 119.950 0.472 0.000 2.593 110 F HA 0.622 4.462 4.527 -1.144 0.000 0.320 110 F C 0.663 176.686 175.800 0.372 0.000 1.060 110 F CA -1.265 56.976 58.000 0.402 0.000 0.940 110 F CB 1.169 40.306 39.000 0.228 0.000 1.268 110 F HN 0.541 nan 8.300 nan 0.000 0.475 111 G N 0.303 109.257 108.800 0.258 0.000 2.664 111 G HA2 0.318 3.593 3.960 -1.142 0.000 0.242 111 G HA3 0.318 3.593 3.960 -1.142 0.000 0.242 111 G C 0.020 174.921 174.900 0.001 0.000 1.225 111 G CA -0.257 44.708 45.100 -0.224 0.000 0.849 111 G HN 0.835 nan 8.290 nan 0.000 0.581 112 E N -0.592 119.556 120.200 -0.087 0.000 2.539 112 E HA 0.116 3.781 4.350 -1.142 0.000 0.215 112 E C 0.203 176.818 176.600 0.024 0.000 0.965 112 E CA 0.196 56.609 56.400 0.020 0.000 1.019 112 E CB 0.761 30.482 29.700 0.036 0.000 1.059 112 E HN 0.364 nan 8.360 nan 0.000 0.496 113 K N 0.771 121.193 120.400 0.037 0.000 2.385 113 K HA 0.615 4.250 4.320 -1.142 0.000 0.248 113 K C -0.705 176.022 176.600 0.212 0.000 0.955 113 K CA -0.926 55.423 56.287 0.104 0.000 0.816 113 K CB 2.060 34.580 32.500 0.034 0.000 1.250 113 K HN -0.029 nan 8.250 nan 0.000 0.434 114 A N 0.722 123.628 122.820 0.143 0.000 2.584 114 A HA 0.318 3.953 4.320 -1.142 0.000 0.239 114 A C 1.223 178.858 177.584 0.084 0.000 1.043 114 A CA 1.441 53.535 52.037 0.095 0.000 0.756 114 A CB -1.022 18.017 19.000 0.065 0.000 0.963 114 A HN 0.992 nan 8.150 nan 0.000 0.511 115 G N 0.899 109.669 108.800 -0.050 0.000 2.195 115 G HA2 -0.292 2.983 3.960 -1.142 0.000 0.246 115 G HA3 -0.292 2.983 3.960 -1.142 0.000 0.246 115 G C 0.277 174.834 174.900 -0.572 0.000 0.984 115 G CA 1.008 45.929 45.100 -0.299 0.000 0.633 115 G HN 1.094 nan 8.290 nan 0.000 0.525 116 Y N 0.152 120.440 120.300 -0.020 0.000 2.610 116 Y HA 0.230 4.095 4.550 -1.142 0.000 0.254 116 Y C 2.439 178.307 175.900 -0.053 0.000 1.110 116 Y CA 0.746 58.779 58.100 -0.112 0.000 1.238 116 Y CB 0.137 38.396 38.460 -0.335 0.000 1.322 116 Y HN 0.330 nan 8.280 nan 0.000 0.547 117 T N -3.157 111.466 114.554 0.114 0.000 3.007 117 T HA -0.162 3.503 4.350 -1.142 0.000 0.270 117 T C 1.761 176.578 174.700 0.194 0.000 1.107 117 T CA 1.697 63.875 62.100 0.130 0.000 1.118 117 T CB -0.486 68.431 68.868 0.080 0.000 0.889 117 T HN 0.402 nan 8.240 nan 0.000 0.506 118 T N -0.817 113.851 114.554 0.190 0.000 3.060 118 T HA 0.562 4.227 4.350 -1.142 0.000 0.249 118 T C 0.928 175.835 174.700 0.344 0.000 1.079 118 T CA 0.039 62.299 62.100 0.267 0.000 1.013 118 T CB -0.378 68.604 68.868 0.189 0.000 0.975 118 T HN 0.567 nan 8.240 nan 0.000 0.518 119 A N 1.286 124.298 122.820 0.321 0.000 2.498 119 A HA 0.491 4.125 4.320 -1.142 0.000 0.239 119 A C 0.111 178.001 177.584 0.508 0.000 1.068 119 A CA -0.112 52.174 52.037 0.414 0.000 0.766 119 A CB 0.099 19.286 19.000 0.311 0.000 1.003 119 A HN 0.677 nan 8.150 nan 0.000 0.497 120 Q N -0.276 119.805 119.800 0.469 0.000 2.433 120 Q HA 0.709 4.364 4.340 -1.142 0.000 0.279 120 Q C -1.354 174.676 176.000 0.049 0.000 1.105 120 Q CA -0.730 55.176 55.803 0.172 0.000 0.815 120 Q CB 2.665 31.368 28.738 -0.059 0.000 1.403 120 Q HN 0.727 nan 8.270 nan 0.000 0.435 121 V N 0.892 120.648 119.914 -0.264 0.000 2.969 121 V HA 0.375 3.810 4.120 -1.142 0.000 0.304 121 V C -1.749 174.153 176.094 -0.320 0.000 1.192 121 V CA -0.564 61.420 62.300 -0.527 0.000 0.962 121 V CB 2.336 33.426 31.823 -1.221 0.000 1.045 121 V HN 0.714 nan 8.190 nan 0.000 0.428 122 E N 5.864 125.877 120.200 -0.312 0.000 2.191 122 E HA 0.530 4.195 4.350 -1.142 0.000 0.278 122 E C -1.056 175.396 176.600 -0.245 0.000 0.972 122 E CA -0.579 55.747 56.400 -0.124 0.000 0.804 122 E CB 2.271 31.965 29.700 -0.010 0.000 1.110 122 E HN 0.504 nan 8.360 nan 0.000 0.394 123 I N 3.884 124.390 120.570 -0.108 0.000 2.410 123 I HA 0.383 3.868 4.170 -1.142 0.000 0.286 123 I C -0.170 175.910 176.117 -0.061 0.000 1.009 123 I CA -0.468 60.701 61.300 -0.219 0.000 1.111 123 I CB 0.674 38.443 38.000 -0.386 0.000 1.262 123 I HN 0.311 nan 8.210 nan 0.000 0.443 124 L N 4.692 125.879 121.223 -0.060 0.000 2.354 124 L HA 0.891 4.546 4.340 -1.142 0.000 0.264 124 L C 0.276 177.307 176.870 0.268 0.000 1.008 124 L CA -0.699 54.194 54.840 0.089 0.000 0.819 124 L CB 2.628 44.700 42.059 0.022 0.000 1.339 124 L HN 0.652 nan 8.230 nan 0.000 0.420 125 G N 0.598 109.597 108.800 0.331 0.000 2.542 125 G HA2 0.533 3.807 3.960 -1.142 0.000 0.311 125 G HA3 0.533 3.807 3.960 -1.142 0.000 0.311 125 G C -1.773 173.088 174.900 -0.065 0.000 1.298 125 G CA -0.466 44.720 45.100 0.144 0.000 0.973 125 G HN 0.474 nan 8.290 nan 0.000 0.487 126 K N 0.950 121.070 120.400 -0.467 0.000 2.206 126 K HA 0.599 4.234 4.320 -1.142 0.000 0.264 126 K C -1.480 174.783 176.600 -0.561 0.000 0.967 126 K CA -0.692 55.203 56.287 -0.655 0.000 0.844 126 K CB 1.094 32.940 32.500 -1.091 0.000 1.099 126 K HN 0.493 nan 8.250 nan 0.000 0.441 127 Y N 1.945 122.124 120.300 -0.202 0.000 2.462 127 Y HA 0.149 4.014 4.550 -1.143 0.000 0.346 127 Y C 0.084 175.906 175.900 -0.129 0.000 0.976 127 Y CA -0.867 57.164 58.100 -0.114 0.000 1.044 127 Y CB 1.487 39.897 38.460 -0.082 0.000 1.230 127 Y HN 0.768 nan 8.280 nan 0.000 0.455 128 D N 0.672 121.089 120.400 0.028 0.000 2.398 128 D HA 0.265 4.220 4.640 -1.142 0.000 0.264 128 D C 1.133 177.408 176.300 -0.042 0.000 1.263 128 D CA -0.149 53.838 54.000 -0.023 0.000 1.037 128 D CB 0.370 41.167 40.800 -0.005 0.000 1.101 128 D HN 0.547 nan 8.370 nan 0.000 0.551 129 A N -1.097 121.690 122.820 -0.054 0.000 2.125 129 A HA -0.175 3.460 4.320 -1.142 0.000 0.219 129 A C 1.721 179.244 177.584 -0.101 0.000 1.156 129 A CA 1.102 53.100 52.037 -0.065 0.000 0.671 129 A CB -0.568 18.401 19.000 -0.050 0.000 0.794 129 A HN 0.418 nan 8.150 nan 0.000 0.459 130 Q N -1.627 118.075 119.800 -0.163 0.000 2.360 130 Q HA 0.206 3.861 4.340 -1.142 0.000 0.202 130 Q C 1.204 176.957 176.000 -0.412 0.000 0.915 130 Q CA 0.731 56.354 55.803 -0.299 0.000 0.943 130 Q CB 0.225 28.706 28.738 -0.429 0.000 1.064 130 Q HN 0.964 nan 8.270 nan 0.000 0.511 131 G N 0.833 109.481 108.800 -0.253 0.000 2.157 131 G HA2 -0.247 3.028 3.960 -1.142 0.000 0.239 131 G HA3 -0.247 3.028 3.960 -1.142 0.000 0.239 131 G C -0.244 174.661 174.900 0.009 0.000 0.982 131 G CA 0.046 45.050 45.100 -0.159 0.000 0.650 131 G HN 0.531 nan 8.290 nan 0.000 0.527 132 H N -0.725 118.439 119.070 0.157 0.000 2.548 132 H HA 0.546 4.417 4.556 -1.142 0.000 0.331 132 H C 0.396 175.775 175.328 0.084 0.000 1.093 132 H CA -0.932 55.197 56.048 0.135 0.000 1.367 132 H CB 1.740 31.520 29.762 0.029 0.000 1.455 132 H HN 0.210 nan 8.280 nan 0.000 0.519 133 L N 2.809 124.082 121.223 0.083 0.000 2.410 133 L HA 0.032 3.687 4.340 -1.142 0.000 0.273 133 L C 1.154 177.918 176.870 -0.177 0.000 1.144 133 L CA 0.626 55.276 54.840 -0.317 0.000 0.863 133 L CB 0.622 42.490 42.059 -0.318 0.000 1.140 133 L HN 0.959 nan 8.230 nan 0.000 0.463 134 T N 0.185 114.604 114.554 -0.225 0.000 2.999 134 T HA 0.348 4.012 4.350 -1.142 0.000 0.247 134 T C 0.445 175.070 174.700 -0.126 0.000 1.012 134 T CA -0.134 61.883 62.100 -0.139 0.000 1.048 134 T CB 0.099 68.895 68.868 -0.120 0.000 1.020 134 T HN 0.571 nan 8.240 nan 0.000 0.478 135 E N 0.155 120.254 120.200 -0.168 0.000 2.356 135 E HA 0.611 4.276 4.350 -1.142 0.000 0.275 135 E C -1.560 175.083 176.600 0.071 0.000 0.904 135 E CA -0.774 55.602 56.400 -0.041 0.000 0.757 135 E CB 2.853 32.509 29.700 -0.073 0.000 1.232 135 E HN 0.283 nan 8.360 nan 0.000 0.442 136 I N 0.990 121.668 120.570 0.180 0.000 2.441 136 I HA 0.470 3.955 4.170 -1.142 0.000 0.295 136 I C 0.291 176.510 176.117 0.171 0.000 0.994 136 I CA -0.638 60.796 61.300 0.222 0.000 1.144 136 I CB 1.974 40.078 38.000 0.173 0.000 1.314 136 I HN 0.474 nan 8.210 nan 0.000 0.445 137 G N 6.548 115.353 108.800 0.009 0.000 2.417 137 G HA2 0.737 4.012 3.960 -1.142 0.000 0.320 137 G HA3 0.737 4.012 3.960 -1.142 0.000 0.320 137 G C -0.830 173.815 174.900 -0.425 0.000 1.204 137 G CA -0.408 44.416 45.100 -0.461 0.000 0.923 137 G HN 0.474 nan 8.290 nan 0.000 0.466 138 I N 1.942 122.223 120.570 -0.481 0.000 2.355 138 I HA 0.495 3.980 4.170 -1.142 0.000 0.288 138 I C 0.220 175.932 176.117 -0.674 0.000 0.999 138 I CA -0.777 60.142 61.300 -0.634 0.000 1.163 138 I CB 2.085 39.675 38.000 -0.683 0.000 1.316 138 I HN 0.519 nan 8.210 nan 0.000 0.454 139 A N 7.165 129.578 122.820 -0.679 0.000 2.360 139 A HA 0.658 4.293 4.320 -1.142 0.000 0.309 139 A C -0.767 176.476 177.584 -0.568 0.000 1.311 139 A CA -0.383 51.349 52.037 -0.509 0.000 0.805 139 A CB 0.051 18.828 19.000 -0.371 0.000 1.144 139 A HN 0.511 nan 8.150 nan 0.000 0.486 140 F N 1.326 121.126 119.950 -0.250 0.000 2.504 140 F HA 0.432 4.272 4.527 -1.144 0.000 0.369 140 F C 1.068 176.759 175.800 -0.181 0.000 1.082 140 F CA 0.297 58.178 58.000 -0.199 0.000 1.216 140 F CB 0.893 39.833 39.000 -0.099 0.000 1.108 140 F HN 0.613 nan 8.300 nan 0.000 0.554 141 R N 2.578 123.080 120.500 0.003 0.000 2.272 141 R HA 0.546 4.201 4.340 -1.142 0.000 0.323 141 R C -0.289 176.070 176.300 0.099 0.000 1.002 141 R CA -0.302 55.745 56.100 -0.090 0.000 0.900 141 R CB 0.514 30.692 30.300 -0.205 0.000 1.151 141 R HN 0.739 nan 8.270 nan 0.000 0.507 142 G N 1.687 110.546 108.800 0.100 0.000 2.425 142 G HA2 0.497 3.771 3.960 -1.142 0.000 0.302 142 G HA3 0.497 3.771 3.960 -1.142 0.000 0.302 142 G C -0.769 174.250 174.900 0.198 0.000 1.159 142 G CA -0.213 44.992 45.100 0.174 0.000 0.865 142 G HN 0.680 nan 8.290 nan 0.000 0.515 143 T N -2.459 112.263 114.554 0.279 0.000 2.906 143 T HA 0.734 4.398 4.350 -1.142 0.000 0.295 143 T C -0.638 174.241 174.700 0.298 0.000 1.075 143 T CA -0.886 61.372 62.100 0.264 0.000 1.005 143 T CB 2.160 71.179 68.868 0.251 0.000 1.136 143 T HN 0.590 nan 8.240 nan 0.000 0.498 144 S N 0.031 115.886 115.700 0.259 0.000 2.750 144 S HA 0.645 4.430 4.470 -1.142 0.000 0.276 144 S C 0.197 174.884 174.600 0.146 0.000 1.165 144 S CA 0.231 58.560 58.200 0.215 0.000 1.047 144 S CB 0.388 63.728 63.200 0.233 0.000 1.056 144 S HN 2.185 nan 8.310 nan 0.000 0.481 145 G N 4.933 113.801 108.800 0.113 0.000 2.742 145 G HA2 -0.113 3.162 3.960 -1.142 0.000 0.257 145 G HA3 -0.113 3.162 3.960 -1.142 0.000 0.257 145 G C -3.080 171.856 174.900 0.060 0.000 1.143 145 G CA -0.967 44.198 45.100 0.109 0.000 1.064 145 G HN 0.527 nan 8.290 nan 0.000 0.529 146 P HA 0.413 nan 4.420 nan 0.000 0.285 146 P C 0.550 177.878 177.300 0.046 0.000 1.269 146 P CA -0.731 62.392 63.100 0.038 0.000 0.844 146 P CB 0.578 32.288 31.700 0.016 0.000 1.094 147 R N 2.083 122.612 120.500 0.049 0.000 5.010 147 R HA -0.023 3.632 4.340 -1.142 0.000 0.175 147 R C 0.170 176.483 176.300 0.022 0.000 2.216 147 R CA 0.734 56.859 56.100 0.042 0.000 1.778 147 R CB -0.764 29.562 30.300 0.043 0.000 1.310 147 R HN 0.603 nan 8.270 nan 0.000 0.814 148 E N -0.500 119.709 120.200 0.015 0.000 2.560 148 E HA 0.018 3.683 4.350 -1.142 0.000 0.190 148 E C 0.088 176.684 176.600 -0.006 0.000 0.956 148 E CA -0.140 56.262 56.400 0.004 0.000 1.515 148 E CB 0.370 30.073 29.700 0.005 0.000 1.930 148 E HN 0.271 nan 8.360 nan 0.000 0.939 149 N N 0.650 119.346 118.700 -0.007 0.000 2.270 149 N HA 0.161 4.216 4.740 -1.142 0.000 0.198 149 N C 1.121 176.618 175.510 -0.021 0.000 1.117 149 N CA 0.348 53.387 53.050 -0.019 0.000 0.845 149 N CB 0.565 39.034 38.487 -0.030 0.000 0.980 149 N HN 0.143 nan 8.380 nan 0.000 0.486 150 L N -0.711 120.503 121.223 -0.015 0.000 2.664 150 L HA 0.388 4.043 4.340 -1.142 0.000 0.233 150 L C 1.250 178.104 176.870 -0.027 0.000 1.113 150 L CA 0.283 55.111 54.840 -0.019 0.000 0.896 150 L CB 0.574 42.628 42.059 -0.007 0.000 1.163 150 L HN 0.066 nan 8.230 nan 0.000 0.497 151 I N -1.122 119.435 120.570 -0.022 0.000 4.456 151 I HA 0.033 3.518 4.170 -1.142 0.000 0.329 151 I C 1.579 177.684 176.117 -0.020 0.000 1.313 151 I CA 0.259 61.546 61.300 -0.021 0.000 1.205 151 I CB 0.676 38.667 38.000 -0.016 0.000 1.179 151 I HN 0.082 nan 8.210 nan 0.000 0.419 152 L N 0.399 121.609 121.223 -0.021 0.000 2.478 152 L HA 0.090 3.744 4.340 -1.142 0.000 0.223 152 L C 0.196 177.052 176.870 -0.023 0.000 1.140 152 L CA 0.566 55.393 54.840 -0.021 0.000 0.842 152 L CB -0.393 41.653 42.059 -0.021 0.000 0.953 152 L HN 0.200 nan 8.230 nan 0.000 0.452 153 D N -1.142 119.242 120.400 -0.026 0.000 2.497 153 D HA 0.222 4.176 4.640 -1.142 0.000 0.243 153 D C -0.399 175.886 176.300 -0.026 0.000 1.039 153 D CA -0.286 53.698 54.000 -0.027 0.000 1.052 153 D CB 1.790 42.571 40.800 -0.033 0.000 1.344 153 D HN -0.149 nan 8.370 nan 0.000 0.553 154 S N 0.416 116.102 115.700 -0.023 0.000 2.562 154 S HA 0.002 3.787 4.470 -1.142 0.000 0.281 154 S C 1.444 176.024 174.600 -0.033 0.000 1.333 154 S CA -0.468 57.718 58.200 -0.023 0.000 1.052 154 S CB 0.584 63.776 63.200 -0.014 0.000 0.884 154 S HN 0.427 nan 8.310 nan 0.000 0.506 155 I N 4.299 124.842 120.570 -0.045 0.000 2.194 155 I HA -0.008 3.477 4.170 -1.142 0.000 0.246 155 I C 2.249 178.330 176.117 -0.059 0.000 1.093 155 I CA 2.130 63.386 61.300 -0.073 0.000 1.355 155 I CB -1.288 36.644 38.000 -0.114 0.000 1.046 155 I HN 0.951 nan 8.210 nan 0.000 0.413 156 G N -0.366 108.415 108.800 -0.032 0.000 2.422 156 G HA2 -0.222 3.052 3.960 -1.142 0.000 0.218 156 G HA3 -0.222 3.052 3.960 -1.142 0.000 0.218 156 G C 1.718 176.627 174.900 0.014 0.000 1.146 156 G CA 0.744 45.847 45.100 0.005 0.000 0.769 156 G HN 0.608 nan 8.290 nan 0.000 0.547 157 A N -0.152 122.665 122.820 -0.004 0.000 2.015 157 A HA 0.204 3.838 4.320 -1.142 0.000 0.219 157 A C 2.531 180.096 177.584 -0.031 0.000 1.163 157 A CA 1.521 53.549 52.037 -0.015 0.000 0.646 157 A CB -0.317 18.670 19.000 -0.022 0.000 0.806 157 A HN 0.241 nan 8.150 nan 0.000 0.448 158 V N -0.088 119.808 119.914 -0.031 0.000 2.407 158 V HA -0.188 3.247 4.120 -1.142 0.000 0.245 158 V C 2.377 178.457 176.094 -0.023 0.000 1.041 158 V CA 1.773 64.050 62.300 -0.039 0.000 1.040 158 V CB -0.506 31.294 31.823 -0.040 0.000 0.671 158 V HN 0.572 nan 8.190 nan 0.000 0.455 159 I N 0.631 121.209 120.570 0.013 0.000 2.163 159 I HA -0.290 3.195 4.170 -1.142 0.000 0.243 159 I C 2.367 178.531 176.117 0.079 0.000 1.085 159 I CA 2.242 63.595 61.300 0.089 0.000 1.347 159 I CB -0.528 37.568 38.000 0.160 0.000 1.044 159 I HN 0.406 nan 8.210 nan 0.000 0.408 160 N N 0.773 119.511 118.700 0.064 0.000 2.104 160 N HA -0.227 3.828 4.740 -1.142 0.000 0.190 160 N C 1.466 176.922 175.510 -0.090 0.000 1.024 160 N CA 1.778 54.865 53.050 0.062 0.000 0.853 160 N CB 0.014 38.531 38.487 0.049 0.000 1.008 160 N HN 0.225 nan 8.380 nan 0.000 0.424 161 D N 0.116 120.438 120.400 -0.129 0.000 2.123 161 D HA -0.084 3.871 4.640 -1.142 0.000 0.200 161 D C 2.024 178.150 176.300 -0.290 0.000 0.976 161 D CA 0.396 54.271 54.000 -0.209 0.000 0.831 161 D CB -0.367 40.335 40.800 -0.164 0.000 0.974 161 D HN 0.285 nan 8.370 nan 0.000 0.469 162 L N 0.529 121.592 121.223 -0.267 0.000 1.997 162 L HA -0.222 3.432 4.340 -1.142 0.000 0.216 162 L C 2.574 178.923 176.870 -0.868 0.000 1.074 162 L CA 1.174 55.725 54.840 -0.481 0.000 0.763 162 L CB -0.489 41.448 42.059 -0.203 0.000 0.890 162 L HN 0.118 nan 8.230 nan 0.000 0.434 163 L N -0.869 120.130 121.223 -0.375 0.000 2.083 163 L HA -0.191 3.463 4.340 -1.142 0.000 0.209 163 L C 2.692 179.517 176.870 -0.075 0.000 1.083 163 L CA 1.217 55.993 54.840 -0.107 0.000 0.752 163 L CB -0.500 41.734 42.059 0.292 0.000 0.899 163 L HN 0.276 nan 8.230 nan 0.000 0.433 164 A N -0.586 122.083 122.820 -0.251 0.000 2.016 164 A HA 0.043 3.677 4.320 -1.142 0.000 0.217 164 A C 2.388 179.829 177.584 -0.240 0.000 1.162 164 A CA 1.123 52.961 52.037 -0.332 0.000 0.662 164 A CB -0.368 18.260 19.000 -0.620 0.000 0.812 164 A HN 0.377 nan 8.150 nan 0.000 0.450 165 A N -0.989 121.617 122.820 -0.357 0.000 2.066 165 A HA 0.152 3.787 4.320 -1.142 0.000 0.218 165 A C 1.692 179.184 177.584 -0.153 0.000 1.157 165 A CA 0.954 52.790 52.037 -0.336 0.000 0.670 165 A CB -0.644 18.071 19.000 -0.475 0.000 0.804 165 A HN 0.402 nan 8.150 nan 0.000 0.453 166 F N 0.396 120.382 119.950 0.060 0.000 2.171 166 F HA -0.002 3.837 4.527 -1.146 0.000 0.300 166 F C 2.517 178.443 175.800 0.210 0.000 1.090 166 F CA 0.585 58.720 58.000 0.226 0.000 1.293 166 F CB -1.258 37.848 39.000 0.177 0.000 1.013 166 F HN 0.253 nan 8.300 nan 0.000 0.486 167 G N 0.056 109.033 108.800 0.295 0.000 2.424 167 G HA2 -0.078 3.196 3.960 -1.142 0.000 0.214 167 G HA3 -0.078 3.196 3.960 -1.142 0.000 0.214 167 G C -1.666 173.331 174.900 0.162 0.000 1.202 167 G CA 0.136 45.357 45.100 0.202 0.000 0.793 167 G HN 0.171 nan 8.290 nan 0.000 0.534 168 P HA 0.261 nan 4.420 nan 0.000 0.264 168 P C -0.258 177.116 177.300 0.124 0.000 1.193 168 P CA 0.335 63.488 63.100 0.088 0.000 0.763 168 P CB 0.435 32.156 31.700 0.034 0.000 0.810 169 K N 2.128 122.591 120.400 0.105 0.000 3.167 169 K HA -0.195 3.440 4.320 -1.142 0.000 0.272 169 K C -0.091 176.597 176.600 0.146 0.000 1.137 169 K CA 0.543 56.897 56.287 0.111 0.000 0.800 169 K CB -2.029 30.537 32.500 0.109 0.000 1.253 169 K HN 0.519 nan 8.250 nan 0.000 0.497 170 D N -1.896 118.586 120.400 0.137 0.000 2.792 170 D HA -0.275 3.680 4.640 -1.142 0.000 0.231 170 D C 0.660 177.062 176.300 0.171 0.000 1.160 170 D CA 1.494 55.570 54.000 0.126 0.000 0.697 170 D CB -1.146 39.697 40.800 0.071 0.000 1.070 170 D HN 0.625 nan 8.370 nan 0.000 0.426 171 Y N 0.309 120.697 120.300 0.147 0.000 2.114 171 Y HA -0.233 3.630 4.550 -1.144 0.000 0.282 171 Y C 2.225 178.287 175.900 0.271 0.000 1.165 171 Y CA 2.812 61.046 58.100 0.224 0.000 1.148 171 Y CB -0.352 38.254 38.460 0.242 0.000 0.972 171 Y HN 0.149 nan 8.280 nan 0.000 0.504 172 A N 0.322 123.241 122.820 0.165 0.000 1.872 172 A HA -0.156 3.478 4.320 -1.142 0.000 0.214 172 A C 2.316 179.865 177.584 -0.058 0.000 1.187 172 A CA 1.683 53.709 52.037 -0.018 0.000 0.614 172 A CB -0.820 18.197 19.000 0.028 0.000 0.826 172 A HN 0.517 nan 8.150 nan 0.000 0.442 173 K N -0.422 119.976 120.400 -0.004 0.000 2.044 173 K HA -0.212 3.423 4.320 -1.142 0.000 0.210 173 K C 1.194 177.779 176.600 -0.024 0.000 1.049 173 K CA 1.874 58.151 56.287 -0.017 0.000 0.927 173 K CB -0.189 32.313 32.500 0.005 0.000 0.713 173 K HN 0.406 nan 8.250 nan 0.000 0.443 174 N N -0.290 118.395 118.700 -0.026 0.000 2.412 174 N HA -0.080 3.975 4.740 -1.142 0.000 0.184 174 N C 1.141 176.585 175.510 -0.110 0.000 1.101 174 N CA 0.270 53.285 53.050 -0.058 0.000 0.881 174 N CB -0.141 38.316 38.487 -0.051 0.000 0.969 174 N HN 0.274 nan 8.380 nan 0.000 0.459 175 Y N 1.576 121.721 120.300 -0.257 0.000 2.069 175 Y HA -0.289 3.576 4.550 -1.141 0.000 0.278 175 Y C 2.084 177.818 175.900 -0.277 0.000 1.175 175 Y CA 1.651 59.567 58.100 -0.306 0.000 1.134 175 Y CB -0.231 38.050 38.460 -0.299 0.000 0.965 175 Y HN -0.154 nan 8.280 nan 0.000 0.498 176 V N -0.275 119.645 119.914 0.010 0.000 2.548 176 V HA -0.201 3.234 4.120 -1.142 0.000 0.249 176 V C 2.490 178.656 176.094 0.120 0.000 1.055 176 V CA 1.678 64.000 62.300 0.036 0.000 1.065 176 V CB -1.269 30.530 31.823 -0.039 0.000 0.681 176 V HN 0.648 nan 8.190 nan 0.000 0.462 177 G N -0.374 108.479 108.800 0.088 0.000 2.402 177 G HA2 -0.170 3.105 3.960 -1.142 0.000 0.216 177 G HA3 -0.170 3.105 3.960 -1.142 0.000 0.216 177 G C 1.463 176.290 174.900 -0.122 0.000 1.162 177 G CA 0.453 45.600 45.100 0.077 0.000 0.777 177 G HN 0.465 nan 8.290 nan 0.000 0.539 178 E N 0.998 120.965 120.200 -0.389 0.000 2.072 178 E HA -0.036 3.629 4.350 -1.142 0.000 0.191 178 E C 2.834 178.970 176.600 -0.773 0.000 0.985 178 E CA 1.163 57.156 56.400 -0.678 0.000 0.801 178 E CB -0.553 28.393 29.700 -1.257 0.000 0.750 178 E HN 0.374 nan 8.360 nan 0.000 0.452 179 A N -0.200 122.080 122.820 -0.899 0.000 1.903 179 A HA 0.008 3.643 4.320 -1.142 0.000 0.213 179 A C 1.094 178.188 177.584 -0.818 0.000 1.185 179 A CA 0.757 52.231 52.037 -0.939 0.000 0.628 179 A CB -0.078 18.211 19.000 -1.185 0.000 0.830 179 A HN 0.174 nan 8.150 nan 0.000 0.446 180 F N -1.062 118.887 119.950 -0.000 0.000 2.815 180 F HA 0.323 4.163 4.527 -1.144 0.000 0.335 180 F C 1.837 177.736 175.800 0.166 0.000 1.179 180 F CA -0.464 57.587 58.000 0.086 0.000 1.204 180 F CB -0.100 38.960 39.000 0.100 0.000 1.050 180 F HN 0.168 nan 8.300 nan 0.000 0.510 181 G N 0.577 109.570 108.800 0.321 0.000 2.418 181 G HA2 -0.248 3.027 3.960 -1.142 0.000 0.217 181 G HA3 -0.248 3.027 3.960 -1.142 0.000 0.217 181 G C 1.675 176.872 174.900 0.494 0.000 1.158 181 G CA 0.954 46.359 45.100 0.509 0.000 0.771 181 G HN 0.255 nan 8.290 nan 0.000 0.545 182 N N 0.213 119.094 118.700 0.303 0.000 2.173 182 N HA -0.054 4.001 4.740 -1.142 0.000 0.184 182 N C 2.152 177.821 175.510 0.266 0.000 1.025 182 N CA 0.926 54.134 53.050 0.263 0.000 0.852 182 N CB -0.327 38.280 38.487 0.199 0.000 0.998 182 N HN 0.242 nan 8.380 nan 0.000 0.427 183 L N 1.964 123.356 121.223 0.283 0.000 2.013 183 L HA -0.111 3.543 4.340 -1.142 0.000 0.212 183 L C 2.056 178.895 176.870 -0.052 0.000 1.073 183 L CA 1.440 56.342 54.840 0.102 0.000 0.753 183 L CB -0.704 41.333 42.059 -0.037 0.000 0.890 183 L HN 0.123 nan 8.230 nan 0.000 0.432 184 L N -0.565 120.625 121.223 -0.055 0.000 2.201 184 L HA -0.162 3.493 4.340 -1.142 0.000 0.212 184 L C 2.249 179.086 176.870 -0.054 0.000 1.105 184 L CA 0.696 55.372 54.840 -0.274 0.000 0.775 184 L CB -0.708 40.804 42.059 -0.912 0.000 0.913 184 L HN 0.406 nan 8.230 nan 0.000 0.440 185 N N 0.184 118.988 118.700 0.174 0.000 2.120 185 N HA -0.175 3.880 4.740 -1.142 0.000 0.188 185 N C 1.373 176.932 175.510 0.082 0.000 1.024 185 N CA 1.344 54.522 53.050 0.214 0.000 0.852 185 N CB -0.223 38.416 38.487 0.254 0.000 1.003 185 N HN 0.304 nan 8.380 nan 0.000 0.424 186 D N 0.581 121.027 120.400 0.077 0.000 2.097 186 D HA -0.088 3.866 4.640 -1.142 0.000 0.195 186 D C 2.153 178.463 176.300 0.018 0.000 0.989 186 D CA 0.604 54.636 54.000 0.053 0.000 0.827 186 D CB -0.494 40.356 40.800 0.084 0.000 0.966 186 D HN 0.003 nan 8.370 nan 0.000 0.456 187 V N 0.861 120.753 119.914 -0.038 0.000 2.324 187 V HA -0.242 3.192 4.120 -1.142 0.000 0.250 187 V C 2.669 178.757 176.094 -0.010 0.000 1.060 187 V CA 1.200 63.510 62.300 0.018 0.000 1.042 187 V CB -0.671 31.147 31.823 -0.009 0.000 0.650 187 V HN 0.065 nan 8.190 nan 0.000 0.450 188 V N 0.279 120.085 119.914 -0.179 0.000 2.295 188 V HA -0.264 3.171 4.120 -1.142 0.000 0.246 188 V C 2.751 178.530 176.094 -0.526 0.000 1.049 188 V CA 2.069 63.940 62.300 -0.715 0.000 1.024 188 V CB -1.252 30.171 31.823 -0.666 0.000 0.648 188 V HN 0.563 nan 8.190 nan 0.000 0.447 189 A N -0.224 122.470 122.820 -0.211 0.000 1.865 189 A HA -0.285 3.350 4.320 -1.142 0.000 0.217 189 A C 2.141 179.711 177.584 -0.023 0.000 1.191 189 A CA 2.311 54.293 52.037 -0.092 0.000 0.623 189 A CB -0.824 18.175 19.000 -0.003 0.000 0.826 189 A HN 0.536 nan 8.150 nan 0.000 0.444 190 F N 0.974 120.863 119.950 -0.102 0.000 2.095 190 F HA -0.091 3.751 4.527 -1.142 0.000 0.298 190 F C 2.541 178.307 175.800 -0.057 0.000 1.104 190 F CA 1.328 59.295 58.000 -0.056 0.000 1.232 190 F CB -0.601 38.376 39.000 -0.039 0.000 0.987 190 F HN 0.261 nan 8.300 nan 0.000 0.475 191 A N 0.589 123.352 122.820 -0.096 0.000 1.865 191 A HA -0.240 3.394 4.320 -1.142 0.000 0.217 191 A C 2.299 179.792 177.584 -0.151 0.000 1.191 191 A CA 2.117 54.074 52.037 -0.134 0.000 0.623 191 A CB -0.815 18.227 19.000 0.071 0.000 0.826 191 A HN 0.477 nan 8.150 nan 0.000 0.444 192 K N -0.490 119.816 120.400 -0.156 0.000 2.026 192 K HA -0.092 3.543 4.320 -1.142 0.000 0.208 192 K C 2.248 178.786 176.600 -0.103 0.000 1.048 192 K CA 1.148 57.382 56.287 -0.088 0.000 0.929 192 K CB -0.389 32.045 32.500 -0.110 0.000 0.713 192 K HN 0.447 nan 8.250 nan 0.000 0.439 193 A N 1.734 124.473 122.820 -0.135 0.000 2.076 193 A HA -0.150 3.484 4.320 -1.142 0.000 0.220 193 A C 1.483 178.966 177.584 -0.169 0.000 1.160 193 A CA 1.391 53.353 52.037 -0.126 0.000 0.653 193 A CB -0.242 18.698 19.000 -0.101 0.000 0.801 193 A HN 0.288 nan 8.150 nan 0.000 0.455 194 N N -1.141 117.407 118.700 -0.252 0.000 2.214 194 N HA 0.177 4.232 4.740 -1.142 0.000 0.214 194 N C 0.946 176.362 175.510 -0.156 0.000 1.132 194 N CA 0.760 53.664 53.050 -0.243 0.000 0.856 194 N CB 0.580 38.819 38.487 -0.414 0.000 1.020 194 N HN 0.562 nan 8.380 nan 0.000 0.509 195 G N 1.176 109.909 108.800 -0.112 0.000 2.153 195 G HA2 -0.271 3.004 3.960 -1.142 0.000 0.252 195 G HA3 -0.271 3.004 3.960 -1.142 0.000 0.252 195 G C -0.111 174.766 174.900 -0.038 0.000 0.994 195 G CA 0.122 45.183 45.100 -0.066 0.000 0.698 195 G HN 0.172 nan 8.290 nan 0.000 0.521 196 L N 1.193 122.399 121.223 -0.027 0.000 2.399 196 L HA 0.713 4.367 4.340 -1.142 0.000 0.266 196 L C 1.117 178.054 176.870 0.112 0.000 1.114 196 L CA 0.583 55.437 54.840 0.023 0.000 0.804 196 L CB 1.652 43.729 42.059 0.030 0.000 1.146 196 L HN 0.498 nan 8.230 nan 0.000 0.451 197 S N 0.100 115.819 115.700 0.032 0.000 2.753 197 S HA 0.580 4.365 4.470 -1.142 0.000 0.302 197 S C 1.029 175.396 174.600 -0.388 0.000 1.104 197 S CA -0.129 57.994 58.200 -0.128 0.000 0.968 197 S CB 0.827 63.934 63.200 -0.155 0.000 1.278 197 S HN 0.662 nan 8.310 nan 0.000 0.549 198 G N 0.700 108.990 108.800 -0.850 0.000 2.443 198 G HA2 -0.158 3.117 3.960 -1.142 0.000 0.219 198 G HA3 -0.158 3.117 3.960 -1.142 0.000 0.219 198 G C 1.240 176.031 174.900 -0.182 0.000 1.131 198 G CA 0.883 45.587 45.100 -0.660 0.000 0.775 198 G HN 0.899 nan 8.290 nan 0.000 0.547 199 K N 0.293 120.622 120.400 -0.118 0.000 2.442 199 K HA 0.016 3.651 4.320 -1.142 0.000 0.198 199 K C 0.786 177.417 176.600 0.052 0.000 1.042 199 K CA 1.376 57.673 56.287 0.017 0.000 0.958 199 K CB 0.143 32.658 32.500 0.024 0.000 0.766 199 K HN 0.099 nan 8.250 nan 0.000 0.474 200 D N 1.203 121.612 120.400 0.015 0.000 2.342 200 D HA 0.060 4.015 4.640 -1.142 0.000 0.221 200 D C -0.526 175.813 176.300 0.066 0.000 1.101 200 D CA 0.122 54.146 54.000 0.039 0.000 0.837 200 D CB 0.662 41.476 40.800 0.023 0.000 0.938 200 D HN -0.005 nan 8.370 nan 0.000 0.508 201 V N 1.904 121.854 119.914 0.060 0.000 2.448 201 V HA 0.289 3.724 4.120 -1.142 0.000 0.295 201 V C -0.334 175.725 176.094 -0.058 0.000 1.025 201 V CA -0.969 61.366 62.300 0.058 0.000 0.859 201 V CB 2.335 34.261 31.823 0.172 0.000 0.988 201 V HN -0.070 nan 8.190 nan 0.000 0.431 202 L N 6.620 127.783 121.223 -0.100 0.000 2.296 202 L HA 0.706 4.361 4.340 -1.142 0.000 0.286 202 L C -0.495 176.177 176.870 -0.330 0.000 1.023 202 L CA 0.009 54.719 54.840 -0.217 0.000 0.812 202 L CB 1.735 43.697 42.059 -0.162 0.000 1.223 202 L HN 0.455 nan 8.230 nan 0.000 0.421 203 V N 4.819 124.493 119.914 -0.400 0.000 2.357 203 V HA 0.734 4.169 4.120 -1.142 0.000 0.284 203 V C 0.073 176.032 176.094 -0.226 0.000 1.018 203 V CA -0.166 61.931 62.300 -0.338 0.000 0.841 203 V CB 0.966 32.570 31.823 -0.364 0.000 0.991 203 V HN 0.913 nan 8.190 nan 0.000 0.437 204 S N 2.710 118.286 115.700 -0.206 0.000 2.840 204 S HA 1.009 4.794 4.470 -1.142 0.000 0.307 204 S C -0.358 174.211 174.600 -0.052 0.000 1.180 204 S CA 0.104 58.219 58.200 -0.142 0.000 0.846 204 S CB 2.126 65.212 63.200 -0.189 0.000 1.233 204 S HN 1.524 nan 8.310 nan 0.000 0.548 205 G N 0.558 109.356 108.800 -0.002 0.000 2.358 205 G HA2 0.290 3.565 3.960 -1.142 0.000 0.303 205 G HA3 0.290 3.565 3.960 -1.142 0.000 0.303 205 G C -2.042 172.926 174.900 0.114 0.000 1.537 205 G CA -0.760 44.356 45.100 0.027 0.000 0.928 205 G HN 0.803 nan 8.290 nan 0.000 0.656 206 H N 0.712 119.776 119.070 -0.010 0.000 2.499 206 H HA 0.761 4.630 4.556 -1.146 0.000 0.340 206 H C 0.819 176.162 175.328 0.026 0.000 1.148 206 H CA 0.899 56.945 56.048 -0.004 0.000 1.215 206 H CB 1.887 31.660 29.762 0.017 0.000 1.529 206 H HN 1.339 nan 8.280 nan 0.000 0.510 207 S N 2.054 117.507 115.700 -0.412 0.000 4.069 207 S HA -0.280 3.505 4.470 -1.142 0.000 0.626 207 S C 1.859 176.434 174.600 -0.042 0.000 2.000 207 S CA 0.921 59.052 58.200 -0.115 0.000 4.174 207 S CB -1.256 62.046 63.200 0.170 0.000 0.210 207 S HN 0.691 nan 8.310 nan 0.000 0.602 208 L N 1.738 122.978 121.223 0.028 0.000 2.129 208 L HA -0.068 3.587 4.340 -1.142 0.000 0.212 208 L C 2.766 179.567 176.870 -0.115 0.000 1.087 208 L CA 1.819 56.610 54.840 -0.080 0.000 0.757 208 L CB -1.321 40.743 42.059 0.009 0.000 0.896 208 L HN 0.808 nan 8.230 nan 0.000 0.434 209 G N 0.156 108.947 108.800 -0.014 0.000 2.503 209 G HA2 -0.252 3.023 3.960 -1.142 0.000 0.221 209 G HA3 -0.252 3.023 3.960 -1.142 0.000 0.221 209 G C 1.537 176.429 174.900 -0.012 0.000 1.131 209 G CA 0.967 46.081 45.100 0.024 0.000 0.756 209 G HN 0.516 nan 8.290 nan 0.000 0.572 210 G N 0.292 109.054 108.800 -0.063 0.000 2.453 210 G HA2 -0.001 3.274 3.960 -1.142 0.000 0.215 210 G HA3 -0.001 3.274 3.960 -1.142 0.000 0.215 210 G C 1.707 176.527 174.900 -0.133 0.000 1.147 210 G CA 0.585 45.637 45.100 -0.080 0.000 0.802 210 G HN 0.442 nan 8.290 nan 0.000 0.535 211 L N 0.847 121.945 121.223 -0.209 0.000 1.990 211 L HA -0.128 3.527 4.340 -1.142 0.000 0.213 211 L C 3.121 179.793 176.870 -0.329 0.000 1.072 211 L CA 2.075 56.726 54.840 -0.314 0.000 0.755 211 L CB -0.280 41.474 42.059 -0.510 0.000 0.889 211 L HN 0.264 nan 8.230 nan 0.000 0.432 212 A N -0.725 121.874 122.820 -0.369 0.000 1.908 212 A HA -0.186 3.449 4.320 -1.142 0.000 0.218 212 A C 2.199 179.517 177.584 -0.443 0.000 1.181 212 A CA 2.017 53.776 52.037 -0.464 0.000 0.627 212 A CB -1.115 17.552 19.000 -0.555 0.000 0.818 212 A HN 0.374 nan 8.150 nan 0.000 0.445 213 V N 1.140 120.956 119.914 -0.164 0.000 2.282 213 V HA -0.335 3.100 4.120 -1.142 0.000 0.249 213 V C 2.349 178.431 176.094 -0.020 0.000 1.057 213 V CA 2.277 64.599 62.300 0.037 0.000 1.032 213 V CB -0.968 30.908 31.823 0.088 0.000 0.645 213 V HN 0.600 nan 8.190 nan 0.000 0.447 214 N N -0.221 118.420 118.700 -0.098 0.000 2.188 214 N HA -0.154 3.901 4.740 -1.142 0.000 0.184 214 N C 2.195 177.620 175.510 -0.142 0.000 1.018 214 N CA 1.722 54.698 53.050 -0.123 0.000 0.858 214 N CB -0.184 38.236 38.487 -0.112 0.000 0.989 214 N HN 0.526 nan 8.380 nan 0.000 0.426 215 S N 1.251 116.859 115.700 -0.152 0.000 2.356 215 S HA -0.110 3.674 4.470 -1.142 0.000 0.223 215 S C 2.040 176.603 174.600 -0.061 0.000 1.032 215 S CA 0.852 58.986 58.200 -0.110 0.000 1.005 215 S CB -0.150 62.984 63.200 -0.109 0.000 0.867 215 S HN 0.235 nan 8.310 nan 0.000 0.449 216 M N 0.966 120.522 119.600 -0.072 0.000 2.082 216 M HA -0.134 3.661 4.480 -1.142 0.000 0.258 216 M C 2.251 178.568 176.300 0.030 0.000 1.069 216 M CA 1.891 57.239 55.300 0.080 0.000 1.102 216 M CB -0.616 32.066 32.600 0.135 0.000 1.336 216 M HN 0.523 nan 8.290 nan 0.000 0.404 217 A N 0.251 122.879 122.820 -0.321 0.000 1.883 217 A HA -0.240 3.395 4.320 -1.142 0.000 0.217 217 A C 1.683 179.128 177.584 -0.231 0.000 1.186 217 A CA 2.260 53.906 52.037 -0.653 0.000 0.624 217 A CB -1.076 17.415 19.000 -0.847 0.000 0.822 217 A HN 0.568 nan 8.150 nan 0.000 0.444 218 D N -0.064 120.253 120.400 -0.139 0.000 2.123 218 D HA -0.121 3.834 4.640 -1.142 0.000 0.196 218 D C 1.791 178.082 176.300 -0.015 0.000 0.992 218 D CA 1.175 55.136 54.000 -0.065 0.000 0.833 218 D CB -0.262 40.506 40.800 -0.052 0.000 0.954 218 D HN 0.490 nan 8.370 nan 0.000 0.455 219 L N 0.756 121.999 121.223 0.034 0.000 2.418 219 L HA -0.020 3.635 4.340 -1.142 0.000 0.218 219 L C 2.284 179.240 176.870 0.144 0.000 1.125 219 L CA 0.422 55.294 54.840 0.054 0.000 0.835 219 L CB -0.266 41.842 42.059 0.082 0.000 0.953 219 L HN -0.003 nan 8.230 nan 0.000 0.454 220 S N -0.007 115.843 115.700 0.250 0.000 2.469 220 S HA -0.110 3.675 4.470 -1.142 0.000 0.238 220 S C 2.101 176.864 174.600 0.270 0.000 0.998 220 S CA 0.775 59.215 58.200 0.400 0.000 0.957 220 S CB -0.769 62.678 63.200 0.411 0.000 0.764 220 S HN 0.435 nan 8.310 nan 0.000 0.514 221 G N 1.746 110.628 108.800 0.136 0.000 2.599 221 G HA2 0.235 3.510 3.960 -1.142 0.000 0.219 221 G HA3 0.235 3.510 3.960 -1.142 0.000 0.219 221 G C 0.986 175.922 174.900 0.061 0.000 1.193 221 G CA 0.967 46.114 45.100 0.079 0.000 0.778 221 G HN 1.401 nan 8.290 nan 0.000 0.589 222 G N -1.214 107.600 108.800 0.024 0.000 1.894 222 G HA2 0.001 3.276 3.960 -1.142 0.000 0.076 222 G HA3 0.001 3.276 3.960 -1.142 0.000 0.076 222 G C -0.226 174.623 174.900 -0.085 0.000 0.954 222 G CA 0.117 45.199 45.100 -0.031 0.000 1.214 222 G HN 0.570 nan 8.290 nan 0.000 0.409 223 K N -0.397 119.891 120.400 -0.187 0.000 2.210 223 K HA 0.464 4.098 4.320 -1.142 0.000 0.236 223 K C -0.047 176.465 176.600 -0.146 0.000 1.016 223 K CA -0.380 55.616 56.287 -0.485 0.000 0.913 223 K CB 0.869 32.602 32.500 -1.279 0.000 1.141 223 K HN 0.640 nan 8.250 nan 0.000 0.462 224 W N -0.134 121.265 121.300 0.165 0.000 5.271 224 W HA -0.213 3.762 4.660 -1.142 0.000 0.364 224 W C 0.724 177.311 176.519 0.114 0.000 1.342 224 W CA 1.166 58.614 57.345 0.172 0.000 0.899 224 W CB -2.554 27.130 29.460 0.373 0.000 2.450 224 W HN 1.117 nan 8.180 nan 0.000 1.508 225 G N -1.293 107.610 108.800 0.172 0.000 2.166 225 G HA2 0.029 3.304 3.960 -1.142 0.000 0.260 225 G HA3 0.029 3.304 3.960 -1.142 0.000 0.260 225 G C 1.260 176.253 174.900 0.156 0.000 0.986 225 G CA 1.350 46.530 45.100 0.133 0.000 0.683 225 G HN 1.785 nan 8.290 nan 0.000 0.527 226 G N -1.350 107.570 108.800 0.201 0.000 2.155 226 G HA2 -0.259 3.016 3.960 -1.142 0.000 0.257 226 G HA3 -0.259 3.016 3.960 -1.142 0.000 0.257 226 G C 0.977 175.988 174.900 0.184 0.000 0.983 226 G CA 1.021 46.237 45.100 0.192 0.000 0.676 226 G HN 1.520 nan 8.290 nan 0.000 0.528 227 F N 0.275 120.234 119.950 0.014 0.000 2.192 227 F HA 0.083 3.925 4.527 -1.143 0.000 0.301 227 F C 1.891 177.577 175.800 -0.190 0.000 1.079 227 F CA 2.115 60.005 58.000 -0.182 0.000 1.303 227 F CB -0.120 38.616 39.000 -0.440 0.000 1.024 227 F HN 0.195 nan 8.300 nan 0.000 0.494 228 F N -0.621 119.484 119.950 0.258 0.000 2.693 228 F HA 0.365 4.208 4.527 -1.140 0.000 0.303 228 F C 2.017 177.958 175.800 0.235 0.000 1.097 228 F CA 0.295 58.411 58.000 0.194 0.000 1.330 228 F CB -1.208 37.981 39.000 0.315 0.000 1.067 228 F HN 0.005 nan 8.300 nan 0.000 0.565 229 A N -0.049 122.949 122.820 0.297 0.000 1.948 229 A HA -0.204 3.431 4.320 -1.142 0.000 0.220 229 A C 1.599 179.318 177.584 0.225 0.000 1.177 229 A CA 2.062 54.242 52.037 0.237 0.000 0.636 229 A CB -0.504 18.575 19.000 0.132 0.000 0.815 229 A HN 0.192 nan 8.150 nan 0.000 0.449 230 D N 0.020 120.501 120.400 0.135 0.000 2.370 230 D HA 0.212 4.167 4.640 -1.142 0.000 0.230 230 D C 0.073 176.467 176.300 0.156 0.000 1.143 230 D CA 0.112 54.182 54.000 0.117 0.000 0.834 230 D CB 0.178 40.985 40.800 0.012 0.000 0.944 230 D HN 0.243 nan 8.370 nan 0.000 0.504 231 S N 0.565 116.397 115.700 0.220 0.000 2.645 231 S HA 0.262 4.047 4.470 -1.142 0.000 0.266 231 S C 0.435 175.035 174.600 0.000 0.000 1.258 231 S CA -0.640 57.581 58.200 0.035 0.000 0.990 231 S CB 0.921 64.072 63.200 -0.081 0.000 0.967 231 S HN 0.147 nan 8.310 nan 0.000 0.556 232 N N 1.226 119.841 118.700 -0.142 0.000 2.425 232 N HA 0.274 4.329 4.740 -1.142 0.000 0.268 232 N C -1.657 173.620 175.510 -0.388 0.000 0.991 232 N CA -0.031 53.005 53.050 -0.023 0.000 0.931 232 N CB 0.884 39.358 38.487 -0.023 0.000 1.130 232 N HN 0.488 nan 8.380 nan 0.000 0.493 233 Y N 1.848 122.126 120.300 -0.035 0.000 2.356 233 Y HA 0.484 4.349 4.550 -1.143 0.000 0.334 233 Y C 0.229 175.967 175.900 -0.270 0.000 0.958 233 Y CA -0.630 57.410 58.100 -0.099 0.000 1.196 233 Y CB 1.107 39.589 38.460 0.036 0.000 1.137 233 Y HN 0.287 nan 8.280 nan 0.000 0.485 234 I N 3.563 123.994 120.570 -0.232 0.000 2.411 234 I HA 0.611 4.096 4.170 -1.142 0.000 0.284 234 I C -0.405 175.465 176.117 -0.411 0.000 1.012 234 I CA -0.772 60.311 61.300 -0.362 0.000 1.119 234 I CB 1.397 39.102 38.000 -0.493 0.000 1.261 234 I HN 0.643 nan 8.210 nan 0.000 0.448 235 A N 6.262 128.870 122.820 -0.352 0.000 2.317 235 A HA 0.757 4.391 4.320 -1.142 0.000 0.327 235 A C -1.379 175.912 177.584 -0.487 0.000 1.178 235 A CA -0.290 51.568 52.037 -0.300 0.000 0.817 235 A CB 0.497 19.431 19.000 -0.111 0.000 1.189 235 A HN 0.570 nan 8.150 nan 0.000 0.489 236 Y N 1.049 121.254 120.300 -0.159 0.000 2.330 236 Y HA 0.466 4.332 4.550 -1.140 0.000 0.336 236 Y C 1.055 176.714 175.900 -0.401 0.000 1.036 236 Y CA 0.269 58.197 58.100 -0.286 0.000 1.125 236 Y CB 1.753 40.003 38.460 -0.349 0.000 1.194 236 Y HN 1.282 nan 8.280 nan 0.000 0.469 237 A N 1.813 124.471 122.820 -0.269 0.000 2.799 237 A HA -0.232 3.403 4.320 -1.142 0.000 0.287 237 A C 0.645 178.237 177.584 0.014 0.000 1.484 237 A CA 0.884 52.818 52.037 -0.171 0.000 0.813 237 A CB -1.835 16.859 19.000 -0.509 0.000 1.009 237 A HN 0.611 nan 8.150 nan 0.000 0.545 238 S N 0.063 115.834 115.700 0.118 0.000 2.548 238 S HA 0.514 4.299 4.470 -1.142 0.000 0.277 238 S C -0.248 174.383 174.600 0.052 0.000 1.315 238 S CA -0.814 57.404 58.200 0.030 0.000 1.050 238 S CB 0.845 64.034 63.200 -0.019 0.000 0.918 238 S HN 0.387 nan 8.310 nan 0.000 0.497 239 P HA 0.039 nan 4.420 nan 0.000 0.222 239 P C 0.531 177.780 177.300 -0.086 0.000 1.153 239 P CA 0.675 63.734 63.100 -0.069 0.000 0.798 239 P CB -0.294 31.394 31.700 -0.021 0.000 0.796 240 T N -2.466 112.028 114.554 -0.099 0.000 2.945 240 T HA 0.603 4.268 4.350 -1.142 0.000 0.286 240 T C -0.506 174.151 174.700 -0.073 0.000 1.025 240 T CA -0.654 61.394 62.100 -0.087 0.000 1.039 240 T CB 1.704 70.502 68.868 -0.117 0.000 1.068 240 T HN -0.167 nan 8.240 nan 0.000 0.497 241 Q N 1.296 121.060 119.800 -0.059 0.000 2.337 241 Q HA 0.559 4.214 4.340 -1.142 0.000 0.270 241 Q C -0.014 175.960 176.000 -0.044 0.000 1.043 241 Q CA -0.728 55.049 55.803 -0.045 0.000 0.794 241 Q CB 2.094 30.808 28.738 -0.039 0.000 1.281 241 Q HN 0.956 nan 8.270 nan 0.000 0.446 242 S N 0.507 116.177 115.700 -0.050 0.000 2.596 242 S HA 0.172 3.957 4.470 -1.142 0.000 0.260 242 S C 0.272 174.848 174.600 -0.039 0.000 1.336 242 S CA -0.250 57.915 58.200 -0.058 0.000 0.993 242 S CB 0.665 63.809 63.200 -0.093 0.000 0.923 242 S HN 0.514 nan 8.310 nan 0.000 0.567 243 S N 0.449 116.126 115.700 -0.037 0.000 2.575 243 S HA 0.156 3.941 4.470 -1.142 0.000 0.215 243 S C 0.918 175.503 174.600 -0.026 0.000 0.966 243 S CA 0.135 58.321 58.200 -0.025 0.000 0.911 243 S CB -0.511 62.678 63.200 -0.019 0.000 0.780 243 S HN 0.990 nan 8.310 nan 0.000 0.514 244 T N 0.731 115.262 114.554 -0.038 0.000 2.862 244 T HA 0.324 3.989 4.350 -1.142 0.000 0.276 244 T C 0.111 174.800 174.700 -0.019 0.000 0.974 244 T CA -0.575 61.504 62.100 -0.035 0.000 0.966 244 T CB 0.942 69.772 68.868 -0.063 0.000 1.072 244 T HN 0.110 nan 8.240 nan 0.000 0.538 245 D N -1.358 119.036 120.400 -0.010 0.000 2.491 245 D HA 0.159 4.114 4.640 -1.142 0.000 0.228 245 D C 0.879 177.195 176.300 0.027 0.000 1.183 245 D CA -0.352 53.651 54.000 0.005 0.000 0.827 245 D CB 0.019 40.816 40.800 -0.006 0.000 0.989 245 D HN 0.611 nan 8.370 nan 0.000 0.494 246 K N -0.355 120.064 120.400 0.033 0.000 2.356 246 K HA 0.134 3.769 4.320 -1.142 0.000 0.195 246 K C 0.093 176.865 176.600 0.287 0.000 1.037 246 K CA 0.226 56.580 56.287 0.110 0.000 1.014 246 K CB 1.169 33.664 32.500 -0.008 0.000 0.815 246 K HN 0.044 nan 8.250 nan 0.000 0.507 247 V N 2.745 122.771 119.914 0.186 0.000 2.370 247 V HA 0.153 3.587 4.120 -1.142 0.000 0.283 247 V C -0.468 175.770 176.094 0.239 0.000 1.023 247 V CA -0.933 61.497 62.300 0.216 0.000 0.857 247 V CB 1.330 33.190 31.823 0.062 0.000 0.985 247 V HN 0.083 nan 8.190 nan 0.000 0.443 248 L N 5.425 126.812 121.223 0.272 0.000 2.385 248 L HA 0.342 3.997 4.340 -1.142 0.000 0.281 248 L C 0.255 177.164 176.870 0.066 0.000 1.106 248 L CA 0.571 55.528 54.840 0.194 0.000 0.856 248 L CB -0.015 42.163 42.059 0.199 0.000 1.186 248 L HN 0.644 nan 8.230 nan 0.000 0.453 249 N N 3.918 122.694 118.700 0.127 0.000 2.558 249 N HA 0.328 4.382 4.740 -1.142 0.000 0.233 249 N C -1.066 174.611 175.510 0.278 0.000 1.038 249 N CA -0.383 52.766 53.050 0.165 0.000 0.934 249 N CB 0.922 39.525 38.487 0.193 0.000 1.175 249 N HN 0.386 nan 8.380 nan 0.000 0.512 250 V N 1.223 121.174 119.914 0.062 0.000 2.539 250 V HA 0.872 4.307 4.120 -1.142 0.000 0.292 250 V C 0.796 176.689 176.094 -0.334 0.000 1.045 250 V CA -0.489 61.832 62.300 0.036 0.000 0.945 250 V CB 1.427 33.299 31.823 0.082 0.000 0.993 250 V HN 0.703 nan 8.190 nan 0.000 0.464 251 G N 2.232 110.622 108.800 -0.683 0.000 2.489 251 G HA2 0.471 3.746 3.960 -1.142 0.000 0.291 251 G HA3 0.471 3.746 3.960 -1.142 0.000 0.291 251 G C -1.972 172.527 174.900 -0.668 0.000 1.487 251 G CA -0.709 43.643 45.100 -1.246 0.000 0.795 251 G HN 0.313 nan 8.290 nan 0.000 0.513 252 Y N 0.792 120.929 120.300 -0.271 0.000 2.359 252 Y HA 0.268 4.133 4.550 -1.143 0.000 0.330 252 Y C 1.878 177.891 175.900 0.188 0.000 1.143 252 Y CA 0.029 58.074 58.100 -0.093 0.000 1.318 252 Y CB 1.655 39.989 38.460 -0.211 0.000 1.234 252 Y HN 0.836 nan 8.280 nan 0.000 0.522 253 E N 2.149 122.574 120.200 0.376 0.000 2.150 253 E HA -0.224 3.441 4.350 -1.142 0.000 0.193 253 E C 0.855 177.576 176.600 0.202 0.000 0.985 253 E CA 1.420 58.020 56.400 0.334 0.000 0.814 253 E CB 0.042 29.885 29.700 0.239 0.000 0.752 253 E HN 0.826 nan 8.360 nan 0.000 0.466 254 N N 1.023 119.814 118.700 0.151 0.000 2.383 254 N HA -0.092 3.963 4.740 -1.142 0.000 0.192 254 N C -0.233 175.511 175.510 0.391 0.000 1.141 254 N CA 0.202 53.358 53.050 0.176 0.000 0.851 254 N CB -0.140 38.433 38.487 0.142 0.000 0.976 254 N HN 0.040 nan 8.380 nan 0.000 0.465 255 D N 2.414 123.028 120.400 0.356 0.000 2.338 255 D HA 0.101 4.056 4.640 -1.142 0.000 0.255 255 D C -1.401 175.077 176.300 0.298 0.000 1.237 255 D CA -2.023 52.159 54.000 0.302 0.000 0.883 255 D CB 1.583 42.633 40.800 0.417 0.000 1.087 255 D HN 0.064 nan 8.370 nan 0.000 0.485 256 P HA -0.102 nan 4.420 nan 0.000 0.226 256 P C 1.301 178.610 177.300 0.014 0.000 1.153 256 P CA 0.329 63.408 63.100 -0.035 0.000 0.777 256 P CB 0.549 31.938 31.700 -0.518 0.000 0.794 257 V N -0.801 118.929 119.914 -0.307 0.000 2.500 257 V HA -0.022 3.413 4.120 -1.142 0.000 0.243 257 V C 1.360 177.436 176.094 -0.030 0.000 1.039 257 V CA 0.176 62.255 62.300 -0.368 0.000 1.053 257 V CB -1.171 30.057 31.823 -0.992 0.000 0.695 257 V HN -0.034 nan 8.190 nan 0.000 0.463 258 F N 2.684 122.611 119.950 -0.040 0.000 2.569 258 F HA 0.135 3.977 4.527 -1.143 0.000 0.395 258 F C 1.323 177.197 175.800 0.124 0.000 1.028 258 F CA -0.139 57.904 58.000 0.073 0.000 1.158 258 F CB -0.728 38.382 39.000 0.183 0.000 1.023 258 F HN 0.212 nan 8.300 nan 0.000 0.547 259 R N 2.136 122.455 120.500 -0.302 0.000 3.875 259 R HA -0.248 3.406 4.340 -1.142 0.000 0.321 259 R C 1.218 177.277 176.300 -0.401 0.000 1.196 259 R CA 0.562 56.437 56.100 -0.374 0.000 0.868 259 R CB -2.120 27.876 30.300 -0.506 0.000 1.333 259 R HN 0.680 nan 8.270 nan 0.000 0.522 260 A N 0.521 123.023 122.820 -0.529 0.000 2.019 260 A HA 0.014 3.649 4.320 -1.142 0.000 0.219 260 A C 1.059 178.338 177.584 -0.508 0.000 1.164 260 A CA 0.940 52.416 52.037 -0.935 0.000 0.644 260 A CB 0.040 18.755 19.000 -0.476 0.000 0.805 260 A HN 0.270 nan 8.150 nan 0.000 0.449 261 L N -0.666 120.405 121.223 -0.253 0.000 2.334 261 L HA 0.393 4.048 4.340 -1.142 0.000 0.272 261 L C -0.646 176.157 176.870 -0.111 0.000 1.020 261 L CA -0.912 53.854 54.840 -0.124 0.000 0.812 261 L CB 1.165 43.232 42.059 0.012 0.000 1.264 261 L HN 0.004 nan 8.230 nan 0.000 0.439 262 D N 1.083 121.443 120.400 -0.068 0.000 2.441 262 D HA 0.395 4.349 4.640 -1.142 0.000 0.221 262 D C 0.810 177.099 176.300 -0.019 0.000 1.156 262 D CA 0.950 54.923 54.000 -0.046 0.000 0.896 262 D CB 0.847 41.628 40.800 -0.031 0.000 1.028 262 D HN 0.715 nan 8.370 nan 0.000 0.509 263 G N 3.604 112.388 108.800 -0.027 0.000 3.729 263 G HA2 -0.343 2.932 3.960 -1.142 0.000 0.327 263 G HA3 -0.343 2.932 3.960 -1.142 0.000 0.327 263 G C 0.694 175.594 174.900 -0.001 0.000 1.293 263 G CA 0.910 46.002 45.100 -0.014 0.000 1.011 263 G HN 1.148 nan 8.290 nan 0.000 0.673 264 S N -0.855 114.866 115.700 0.035 0.000 3.009 264 S HA 0.498 4.283 4.470 -1.142 0.000 0.254 264 S C 0.135 174.811 174.600 0.126 0.000 1.004 264 S CA 0.995 59.248 58.200 0.087 0.000 1.119 264 S CB 0.690 63.955 63.200 0.109 0.000 1.075 264 S HN 0.955 nan 8.310 nan 0.000 0.618 265 T N 3.158 117.763 114.554 0.085 0.000 2.729 265 T HA 0.373 4.038 4.350 -1.142 0.000 0.296 265 T C -0.468 174.299 174.700 0.111 0.000 0.928 265 T CA -0.256 61.906 62.100 0.103 0.000 1.045 265 T CB -0.034 68.872 68.868 0.064 0.000 0.902 265 T HN 0.382 nan 8.240 nan 0.000 0.500 266 F N 4.529 124.493 119.950 0.023 0.000 2.608 266 F HA 0.284 4.124 4.527 -1.144 0.000 0.380 266 F C 1.173 176.980 175.800 0.011 0.000 1.083 266 F CA 0.478 58.484 58.000 0.010 0.000 1.266 266 F CB 0.360 39.362 39.000 0.003 0.000 1.076 266 F HN 0.643 nan 8.300 nan 0.000 0.574 267 T N 1.263 115.622 114.554 -0.326 0.000 2.804 267 T HA 0.490 4.154 4.350 -1.142 0.000 0.290 267 T C 1.014 175.573 174.700 -0.235 0.000 1.099 267 T CA -0.366 61.648 62.100 -0.143 0.000 1.011 267 T CB 1.091 69.908 68.868 -0.085 0.000 1.291 267 T HN 0.552 nan 8.240 nan 0.000 0.523 268 G N -0.089 108.671 108.800 -0.066 0.000 2.462 268 G HA2 0.051 3.326 3.960 -1.142 0.000 0.220 268 G HA3 0.051 3.326 3.960 -1.142 0.000 0.220 268 G C 1.497 176.365 174.900 -0.053 0.000 1.121 268 G CA 0.912 45.993 45.100 -0.031 0.000 0.758 268 G HN 1.187 nan 8.290 nan 0.000 0.559 269 A N 0.345 123.128 122.820 -0.062 0.000 2.072 269 A HA 0.258 3.892 4.320 -1.142 0.000 0.216 269 A C 2.572 180.182 177.584 0.043 0.000 1.156 269 A CA 1.525 53.572 52.037 0.017 0.000 0.701 269 A CB -0.250 18.782 19.000 0.053 0.000 0.816 269 A HN 0.245 nan 8.150 nan 0.000 0.458 270 S N -0.103 115.474 115.700 -0.206 0.000 2.392 270 S HA -0.181 3.604 4.470 -1.142 0.000 0.232 270 S C 1.624 176.166 174.600 -0.097 0.000 1.041 270 S CA 1.861 59.850 58.200 -0.351 0.000 1.026 270 S CB -0.508 62.121 63.200 -0.952 0.000 0.845 270 S HN 1.032 nan 8.310 nan 0.000 0.465 271 V N -1.722 118.158 119.914 -0.058 0.000 3.444 271 V HA 0.632 4.066 4.120 -1.142 0.000 0.308 271 V C 0.656 176.829 176.094 0.131 0.000 1.371 271 V CA 0.269 62.618 62.300 0.082 0.000 1.141 271 V CB -0.128 31.767 31.823 0.121 0.000 1.037 271 V HN 0.305 nan 8.190 nan 0.000 0.433 272 G N -0.244 108.661 108.800 0.176 0.000 3.247 272 G HA2 0.525 3.800 3.960 -1.142 0.000 0.199 272 G HA3 0.525 3.800 3.960 -1.142 0.000 0.199 272 G C -0.780 174.278 174.900 0.264 0.000 1.172 272 G CA -0.507 44.717 45.100 0.208 0.000 0.844 272 G HN 0.087 nan 8.290 nan 0.000 0.619 273 V N 1.649 121.668 119.914 0.176 0.000 2.529 273 V HA 0.259 3.693 4.120 -1.142 0.000 0.292 273 V C -0.206 175.848 176.094 -0.068 0.000 1.028 273 V CA 0.343 62.608 62.300 -0.058 0.000 1.074 273 V CB 0.225 31.971 31.823 -0.129 0.000 0.958 273 V HN 0.811 nan 8.190 nan 0.000 0.481 274 H N 0.439 119.535 119.070 0.043 0.000 2.439 274 H HA 0.442 4.311 4.556 -1.145 0.000 0.230 274 H C -0.187 175.118 175.328 -0.038 0.000 1.420 274 H CA -0.736 55.307 56.048 -0.008 0.000 1.305 274 H CB 0.014 29.761 29.762 -0.024 0.000 1.667 274 H HN 0.494 nan 8.280 nan 0.000 0.515 275 D N 1.201 121.589 120.400 -0.020 0.000 2.388 275 D HA 0.256 4.211 4.640 -1.142 0.000 0.221 275 D C 0.623 176.924 176.300 0.003 0.000 1.133 275 D CA -0.171 53.817 54.000 -0.020 0.000 0.831 275 D CB 0.003 40.767 40.800 -0.060 0.000 0.962 275 D HN 0.684 nan 8.370 nan 0.000 0.502 276 A N 1.134 123.959 122.820 0.008 0.000 2.498 276 A HA 0.387 4.022 4.320 -1.142 0.000 0.239 276 A C -2.159 175.427 177.584 0.002 0.000 1.068 276 A CA -0.835 51.206 52.037 0.006 0.000 0.766 276 A CB -0.039 18.964 19.000 0.004 0.000 1.003 276 A HN 0.161 nan 8.150 nan 0.000 0.497 277 P HA 0.252 nan 4.420 nan 0.000 0.268 277 P C -0.671 176.630 177.300 0.001 0.000 1.205 277 P CA 0.181 63.292 63.100 0.017 0.000 0.771 277 P CB 0.466 32.184 31.700 0.031 0.000 0.858 278 K N 1.839 122.238 120.400 -0.003 0.000 2.397 278 K HA 0.116 3.751 4.320 -1.142 0.000 0.253 278 K C 1.000 177.608 176.600 0.014 0.000 0.932 278 K CA -0.649 55.631 56.287 -0.011 0.000 0.795 278 K CB 1.783 34.252 32.500 -0.051 0.000 1.159 278 K HN 0.383 nan 8.250 nan 0.000 0.424 279 E N 1.570 121.778 120.200 0.014 0.000 2.065 279 E HA -0.226 3.438 4.350 -1.142 0.000 0.201 279 E C 1.110 177.737 176.600 0.046 0.000 1.016 279 E CA 2.506 58.922 56.400 0.026 0.000 0.818 279 E CB 0.115 29.825 29.700 0.016 0.000 0.749 279 E HN 0.639 nan 8.360 nan 0.000 0.453 280 S N -0.587 115.141 115.700 0.047 0.000 2.562 280 S HA 0.311 4.096 4.470 -1.142 0.000 0.221 280 S C 0.705 175.375 174.600 0.117 0.000 0.975 280 S CA 0.193 58.441 58.200 0.079 0.000 0.918 280 S CB 0.204 63.442 63.200 0.063 0.000 0.772 280 S HN 0.410 nan 8.310 nan 0.000 0.531 281 A N 2.293 125.178 122.820 0.108 0.000 2.325 281 A HA 0.628 4.263 4.320 -1.142 0.000 0.333 281 A C 0.374 178.090 177.584 0.219 0.000 1.155 281 A CA -0.542 51.604 52.037 0.182 0.000 0.814 281 A CB 0.592 19.630 19.000 0.062 0.000 1.206 281 A HN 0.444 nan 8.150 nan 0.000 0.482 282 T N 0.005 114.756 114.554 0.330 0.000 2.751 282 T HA 0.220 3.884 4.350 -1.142 0.000 0.290 282 T C -0.271 174.632 174.700 0.338 0.000 0.919 282 T CA -0.228 62.038 62.100 0.277 0.000 1.136 282 T CB 0.357 69.385 68.868 0.266 0.000 0.875 282 T HN 0.501 nan 8.240 nan 0.000 0.532 283 D N 2.531 123.059 120.400 0.213 0.000 2.360 283 D HA 0.029 3.984 4.640 -1.142 0.000 0.210 283 D C 0.551 176.978 176.300 0.212 0.000 1.047 283 D CA 0.126 54.248 54.000 0.203 0.000 0.854 283 D CB 0.354 41.225 40.800 0.119 0.000 0.936 283 D HN 0.578 nan 8.370 nan 0.000 0.514 284 N N 0.567 119.369 118.700 0.170 0.000 2.451 284 N HA 0.181 4.236 4.740 -1.142 0.000 0.271 284 N C -0.256 175.289 175.510 0.059 0.000 1.410 284 N CA -0.066 53.052 53.050 0.114 0.000 0.884 284 N CB 1.712 40.235 38.487 0.060 0.000 1.332 284 N HN 0.123 nan 8.380 nan 0.000 0.498 285 I N 1.521 122.172 120.570 0.134 0.000 2.291 285 I HA 0.214 3.699 4.170 -1.142 0.000 0.290 285 I C 0.036 176.279 176.117 0.210 0.000 1.050 285 I CA -0.630 60.756 61.300 0.144 0.000 1.245 285 I CB 1.156 39.234 38.000 0.129 0.000 1.405 285 I HN -0.328 nan 8.210 nan 0.000 0.478 286 V N 5.171 125.142 119.914 0.095 0.000 2.432 286 V HA 0.122 3.556 4.120 -1.142 0.000 0.275 286 V C 0.608 176.584 176.094 -0.196 0.000 1.043 286 V CA -0.295 61.958 62.300 -0.079 0.000 0.925 286 V CB 1.576 33.302 31.823 -0.162 0.000 0.985 286 V HN 0.759 nan 8.190 nan 0.000 0.466 287 S N 5.308 120.684 115.700 -0.541 0.000 2.400 287 S HA 0.328 4.113 4.470 -1.142 0.000 0.295 287 S C -0.461 173.862 174.600 -0.462 0.000 1.113 287 S CA -0.508 57.213 58.200 -0.798 0.000 1.064 287 S CB -0.422 62.019 63.200 -1.264 0.000 0.990 287 S HN 0.537 nan 8.310 nan 0.000 0.502 288 F N 7.370 127.132 119.950 -0.313 0.000 2.567 288 F HA 0.324 4.169 4.527 -1.136 0.000 0.352 288 F C 0.332 176.144 175.800 0.021 0.000 1.229 288 F CA -0.683 57.249 58.000 -0.115 0.000 1.228 288 F CB -0.235 38.780 39.000 0.024 0.000 1.568 288 F HN 0.691 nan 8.300 nan 0.000 0.634 289 N N 1.071 119.689 118.700 -0.136 0.000 2.525 289 N HA 0.243 4.298 4.740 -1.142 0.000 0.288 289 N C 0.364 175.913 175.510 0.065 0.000 1.242 289 N CA -0.739 52.323 53.050 0.019 0.000 0.905 289 N CB 0.455 38.883 38.487 -0.098 0.000 1.258 289 N HN 0.115 nan 8.380 nan 0.000 0.551 290 D N -1.574 118.968 120.400 0.238 0.000 2.182 290 D HA -0.207 3.748 4.640 -1.142 0.000 0.201 290 D C 1.281 177.753 176.300 0.287 0.000 0.986 290 D CA 1.266 55.423 54.000 0.262 0.000 0.847 290 D CB -0.330 40.692 40.800 0.370 0.000 0.942 290 D HN 0.632 nan 8.370 nan 0.000 0.467 291 H N -0.629 118.491 119.070 0.082 0.000 2.276 291 H HA -0.177 3.696 4.556 -1.139 0.000 0.301 291 H C 1.991 177.397 175.328 0.131 0.000 1.073 291 H CA 1.362 57.450 56.048 0.066 0.000 1.311 291 H CB -0.488 29.156 29.762 -0.197 0.000 1.379 291 H HN 0.200 nan 8.280 nan 0.000 0.494 292 Y N 1.211 121.520 120.300 0.014 0.000 2.207 292 Y HA -0.192 3.670 4.550 -1.147 0.000 0.287 292 Y C 2.656 178.391 175.900 -0.276 0.000 1.156 292 Y CA 1.870 59.898 58.100 -0.121 0.000 1.182 292 Y CB -0.578 37.736 38.460 -0.244 0.000 0.979 292 Y HN 0.314 nan 8.280 nan 0.000 0.521 293 A N -1.084 121.560 122.820 -0.294 0.000 2.119 293 A HA -0.010 3.624 4.320 -1.142 0.000 0.217 293 A C 1.456 179.016 177.584 -0.040 0.000 1.153 293 A CA 0.893 52.786 52.037 -0.240 0.000 0.692 293 A CB -0.691 18.254 19.000 -0.091 0.000 0.799 293 A HN 0.295 nan 8.150 nan 0.000 0.458 294 S N -0.141 115.566 115.700 0.013 0.000 2.465 294 S HA 0.313 4.097 4.470 -1.142 0.000 0.279 294 S C 1.340 175.956 174.600 0.027 0.000 1.201 294 S CA 0.069 58.326 58.200 0.095 0.000 1.053 294 S CB 0.521 63.909 63.200 0.314 0.000 0.953 294 S HN 0.480 nan 8.310 nan 0.000 0.488 295 T N 5.111 119.674 114.554 0.016 0.000 2.684 295 T HA -0.126 3.539 4.350 -1.142 0.000 0.267 295 T C 2.139 176.835 174.700 -0.006 0.000 1.036 295 T CA 1.482 63.582 62.100 -0.000 0.000 1.148 295 T CB -0.663 68.205 68.868 0.001 0.000 0.863 295 T HN 0.754 nan 8.240 nan 0.000 0.436 296 A N 0.799 123.594 122.820 -0.042 0.000 1.865 296 A HA -0.127 3.508 4.320 -1.142 0.000 0.217 296 A C 2.154 179.677 177.584 -0.103 0.000 1.191 296 A CA 1.585 53.548 52.037 -0.123 0.000 0.623 296 A CB -1.421 17.436 19.000 -0.238 0.000 0.826 296 A HN 0.704 nan 8.150 nan 0.000 0.444 297 W N -0.078 121.196 121.300 -0.042 0.000 2.350 297 W HA -0.151 3.844 4.660 -1.107 0.000 0.289 297 W C 1.390 177.845 176.519 -0.106 0.000 1.215 297 W CA 1.163 58.464 57.345 -0.073 0.000 1.236 297 W CB -0.205 29.157 29.460 -0.164 0.000 1.130 297 W HN 0.404 nan 8.180 nan 0.000 0.541 298 N N -0.048 118.719 118.700 0.111 0.000 2.314 298 N HA 0.067 4.122 4.740 -1.142 0.000 0.200 298 N C 1.310 176.881 175.510 0.101 0.000 1.135 298 N CA 0.149 53.255 53.050 0.094 0.000 0.835 298 N CB -0.196 38.304 38.487 0.022 0.000 0.989 298 N HN 0.104 nan 8.380 nan 0.000 0.478 299 L N -0.120 121.157 121.223 0.089 0.000 2.131 299 L HA -0.048 3.607 4.340 -1.142 0.000 0.210 299 L C 0.465 177.392 176.870 0.095 0.000 1.092 299 L CA 0.785 55.665 54.840 0.066 0.000 0.759 299 L CB -0.213 41.864 42.059 0.029 0.000 0.903 299 L HN 0.235 nan 8.230 nan 0.000 0.435 300 L N 0.124 121.432 121.223 0.141 0.000 2.371 300 L HA 0.229 3.884 4.340 -1.142 0.000 0.272 300 L C -1.881 175.093 176.870 0.174 0.000 1.124 300 L CA -1.922 53.011 54.840 0.154 0.000 0.816 300 L CB 0.210 42.383 42.059 0.189 0.000 1.129 300 L HN -0.187 nan 8.230 nan 0.000 0.448 301 P HA -0.101 nan 4.420 nan 0.000 0.265 301 P C -0.745 176.690 177.300 0.225 0.000 1.187 301 P CA -0.069 63.135 63.100 0.174 0.000 0.766 301 P CB 0.240 32.021 31.700 0.135 0.000 0.820 302 F N 2.797 122.814 119.950 0.112 0.000 2.504 302 F HA 0.346 4.191 4.527 -1.136 0.000 0.369 302 F C 0.410 176.267 175.800 0.095 0.000 1.082 302 F CA 0.931 59.002 58.000 0.119 0.000 1.216 302 F CB 0.310 39.361 39.000 0.085 0.000 1.108 302 F HN 0.184 nan 8.300 nan 0.000 0.554 303 S N 6.291 121.821 115.700 -0.284 0.000 2.542 303 S HA 0.255 4.040 4.470 -1.142 0.000 0.276 303 S C 0.453 174.919 174.600 -0.223 0.000 1.148 303 S CA -0.868 57.237 58.200 -0.160 0.000 0.886 303 S CB 1.051 64.269 63.200 0.030 0.000 1.109 303 S HN 0.861 nan 8.310 nan 0.000 0.458 304 I N 4.008 124.527 120.570 -0.085 0.000 2.530 304 I HA -0.117 3.367 4.170 -1.142 0.000 0.257 304 I C 1.157 177.465 176.117 0.318 0.000 1.179 304 I CA 1.394 62.752 61.300 0.098 0.000 1.440 304 I CB 0.007 38.076 38.000 0.115 0.000 1.087 304 I HN 0.725 nan 8.210 nan 0.000 0.440 305 L N 0.144 121.469 121.223 0.170 0.000 2.478 305 L HA 0.002 3.657 4.340 -1.142 0.000 0.223 305 L C 0.241 177.167 176.870 0.093 0.000 1.140 305 L CA 0.179 55.100 54.840 0.135 0.000 0.842 305 L CB -0.696 41.427 42.059 0.106 0.000 0.953 305 L HN 0.186 nan 8.230 nan 0.000 0.452 306 N N 0.993 119.753 118.700 0.101 0.000 2.589 306 N HA 0.150 4.205 4.740 -1.142 0.000 0.232 306 N C 1.182 176.757 175.510 0.109 0.000 1.015 306 N CA -0.274 52.831 53.050 0.092 0.000 0.931 306 N CB 1.377 39.923 38.487 0.099 0.000 1.150 306 N HN -0.044 nan 8.380 nan 0.000 0.512 307 I N 2.868 123.453 120.570 0.024 0.000 2.143 307 I HA -0.229 3.256 4.170 -1.142 0.000 0.245 307 I C -0.564 175.589 176.117 0.059 0.000 1.068 307 I CA 1.381 62.633 61.300 -0.080 0.000 1.326 307 I CB -2.103 35.811 38.000 -0.143 0.000 1.028 307 I HN 0.310 nan 8.210 nan 0.000 0.412 308 P HA -0.148 nan 4.420 nan 0.000 0.218 308 P C 1.769 179.006 177.300 -0.105 0.000 1.146 308 P CA 2.163 65.294 63.100 0.052 0.000 0.813 308 P CB -0.360 31.276 31.700 -0.107 0.000 0.778 309 T N -5.236 109.231 114.554 -0.145 0.000 2.897 309 T HA -0.188 3.477 4.350 -1.142 0.000 0.271 309 T C 1.393 175.964 174.700 -0.214 0.000 1.084 309 T CA 0.755 62.622 62.100 -0.387 0.000 1.123 309 T CB -1.214 67.397 68.868 -0.428 0.000 0.865 309 T HN 0.074 nan 8.240 nan 0.000 0.496 310 W N 0.831 121.989 121.300 -0.238 0.000 2.800 310 W HA 0.424 4.386 4.660 -1.162 0.000 0.249 310 W C 1.995 178.434 176.519 -0.133 0.000 1.294 310 W CA -1.186 56.091 57.345 -0.114 0.000 1.402 310 W CB -0.502 28.919 29.460 -0.065 0.000 1.126 310 W HN 0.246 nan 8.180 nan 0.000 0.652 311 I N 0.076 120.578 120.570 -0.112 0.000 2.315 311 I HA -0.353 3.131 4.170 -1.142 0.000 0.251 311 I C 1.683 177.657 176.117 -0.238 0.000 1.125 311 I CA 1.492 62.602 61.300 -0.317 0.000 1.392 311 I CB -0.140 37.343 38.000 -0.861 0.000 1.065 311 I HN -0.227 nan 8.210 nan 0.000 0.424 312 S N -0.725 114.868 115.700 -0.178 0.000 2.555 312 S HA -0.160 3.625 4.470 -1.142 0.000 0.230 312 S C 1.555 176.256 174.600 0.167 0.000 0.978 312 S CA 0.512 58.654 58.200 -0.096 0.000 0.934 312 S CB -0.357 62.805 63.200 -0.063 0.000 0.766 312 S HN 0.587 nan 8.310 nan 0.000 0.533 313 H N 0.991 120.111 119.070 0.083 0.000 2.547 313 H HA 0.342 4.206 4.556 -1.153 0.000 0.272 313 H C 0.336 175.864 175.328 0.333 0.000 0.971 313 H CA -0.114 56.076 56.048 0.235 0.000 1.245 313 H CB -0.107 29.650 29.762 -0.009 0.000 1.440 313 H HN 0.228 nan 8.280 nan 0.000 0.540 314 L N 2.972 124.264 121.223 0.116 0.000 2.490 314 L HA 0.040 3.695 4.340 -1.142 0.000 0.274 314 L C -0.991 175.824 176.870 -0.091 0.000 1.201 314 L CA -1.098 53.693 54.840 -0.082 0.000 0.869 314 L CB 0.656 42.658 42.059 -0.095 0.000 1.123 314 L HN 0.220 nan 8.230 nan 0.000 0.484 315 P HA -0.110 nan 4.420 nan 0.000 0.218 315 P C 1.399 178.581 177.300 -0.196 0.000 1.149 315 P CA 1.115 63.905 63.100 -0.518 0.000 0.817 315 P CB 0.140 31.276 31.700 -0.940 0.000 0.785 316 T N 0.355 114.817 114.554 -0.153 0.000 2.720 316 T HA -0.108 3.557 4.350 -1.142 0.000 0.268 316 T C 2.016 176.713 174.700 -0.006 0.000 1.037 316 T CA 1.814 63.874 62.100 -0.066 0.000 1.144 316 T CB -0.774 68.073 68.868 -0.034 0.000 0.864 316 T HN 0.103 nan 8.240 nan 0.000 0.444 317 A N -0.195 122.632 122.820 0.011 0.000 2.015 317 A HA -0.019 3.616 4.320 -1.142 0.000 0.219 317 A C 1.962 179.635 177.584 0.148 0.000 1.163 317 A CA 1.072 53.137 52.037 0.047 0.000 0.646 317 A CB -0.809 18.163 19.000 -0.046 0.000 0.806 317 A HN 0.558 nan 8.150 nan 0.000 0.448 318 Y N 0.088 120.427 120.300 0.064 0.000 2.133 318 Y HA -0.083 3.775 4.550 -1.152 0.000 0.287 318 Y C 2.781 178.619 175.900 -0.102 0.000 1.134 318 Y CA 1.386 59.452 58.100 -0.056 0.000 1.133 318 Y CB -0.756 37.565 38.460 -0.232 0.000 0.987 318 Y HN 0.337 nan 8.280 nan 0.000 0.502 319 G N -0.515 108.290 108.800 0.007 0.000 2.480 319 G HA2 -0.335 2.940 3.960 -1.142 0.000 0.216 319 G HA3 -0.335 2.940 3.960 -1.142 0.000 0.216 319 G C 1.533 176.448 174.900 0.026 0.000 1.200 319 G CA 1.330 46.400 45.100 -0.049 0.000 0.782 319 G HN 0.417 nan 8.290 nan 0.000 0.554 320 D N 0.661 121.088 120.400 0.045 0.000 2.097 320 D HA -0.056 3.898 4.640 -1.142 0.000 0.197 320 D C 2.656 179.018 176.300 0.103 0.000 0.984 320 D CA 1.462 55.500 54.000 0.065 0.000 0.826 320 D CB -0.482 40.352 40.800 0.057 0.000 0.973 320 D HN 0.262 nan 8.370 nan 0.000 0.460 321 G N 0.641 109.525 108.800 0.139 0.000 2.402 321 G HA2 -0.182 3.092 3.960 -1.142 0.000 0.216 321 G HA3 -0.182 3.092 3.960 -1.142 0.000 0.216 321 G C 1.814 176.833 174.900 0.198 0.000 1.162 321 G CA 0.474 45.688 45.100 0.189 0.000 0.777 321 G HN 0.260 nan 8.290 nan 0.000 0.539 322 M N 0.421 120.132 119.600 0.186 0.000 2.419 322 M HA 0.060 3.855 4.480 -1.142 0.000 0.264 322 M C 2.206 178.673 176.300 0.278 0.000 1.082 322 M CA 0.812 56.258 55.300 0.243 0.000 1.119 322 M CB -0.150 32.632 32.600 0.304 0.000 1.398 322 M HN 0.267 nan 8.290 nan 0.000 0.453 323 N N 0.973 119.801 118.700 0.214 0.000 2.309 323 N HA -0.095 3.959 4.740 -1.142 0.000 0.182 323 N C 1.627 177.220 175.510 0.138 0.000 1.018 323 N CA 1.119 54.275 53.050 0.176 0.000 0.876 323 N CB 0.120 38.674 38.487 0.111 0.000 0.972 323 N HN 0.205 nan 8.380 nan 0.000 0.434 324 R N -0.265 120.317 120.500 0.137 0.000 2.148 324 R HA 0.087 3.742 4.340 -1.142 0.000 0.223 324 R C 1.855 178.244 176.300 0.148 0.000 1.088 324 R CA 0.769 56.944 56.100 0.126 0.000 0.985 324 R CB -0.118 30.254 30.300 0.120 0.000 0.880 324 R HN 0.376 nan 8.270 nan 0.000 0.451 325 I N 0.653 121.328 120.570 0.175 0.000 2.113 325 I HA -0.293 3.192 4.170 -1.142 0.000 0.238 325 I C 2.151 178.411 176.117 0.239 0.000 1.070 325 I CA 1.113 62.525 61.300 0.187 0.000 1.332 325 I CB -0.342 37.753 38.000 0.159 0.000 1.044 325 I HN 0.092 nan 8.210 nan 0.000 0.402 326 I N 0.999 121.674 120.570 0.175 0.000 2.236 326 I HA -0.314 3.171 4.170 -1.142 0.000 0.249 326 I C 2.257 178.334 176.117 -0.067 0.000 1.102 326 I CA 1.950 63.228 61.300 -0.036 0.000 1.365 326 I CB -1.005 37.011 38.000 0.026 0.000 1.051 326 I HN 0.408 nan 8.210 nan 0.000 0.420 327 E N -0.066 120.154 120.200 0.035 0.000 2.481 327 E HA -0.021 3.644 4.350 -1.142 0.000 0.195 327 E C 0.960 177.589 176.600 0.048 0.000 1.047 327 E CA -0.147 56.268 56.400 0.026 0.000 0.867 327 E CB 0.159 29.883 29.700 0.039 0.000 0.858 327 E HN 0.196 nan 8.360 nan 0.000 0.513 328 S N 1.058 116.823 115.700 0.109 0.000 2.549 328 S HA -0.030 3.755 4.470 -1.142 0.000 0.286 328 S C 1.216 175.841 174.600 0.042 0.000 1.314 328 S CA -0.305 57.959 58.200 0.108 0.000 1.062 328 S CB 0.528 63.852 63.200 0.206 0.000 0.865 328 S HN 0.003 nan 8.310 nan 0.000 0.498 329 K N 3.744 124.069 120.400 -0.123 0.000 2.280 329 K HA -0.058 3.577 4.320 -1.142 0.000 0.202 329 K C 0.930 177.415 176.600 -0.192 0.000 1.047 329 K CA 1.252 57.409 56.287 -0.217 0.000 0.942 329 K CB -0.322 31.948 32.500 -0.384 0.000 0.739 329 K HN 0.697 nan 8.250 nan 0.000 0.457 330 F N -0.866 119.157 119.950 0.121 0.000 2.797 330 F HA 0.031 3.872 4.527 -1.143 0.000 0.302 330 F C 1.955 177.741 175.800 -0.023 0.000 1.130 330 F CA -0.726 57.327 58.000 0.088 0.000 1.387 330 F CB -0.862 38.263 39.000 0.208 0.000 1.107 330 F HN 0.034 nan 8.300 nan 0.000 0.577 331 Y N 2.343 122.675 120.300 0.055 0.000 2.139 331 Y HA -0.330 3.534 4.550 -1.143 0.000 0.282 331 Y C 1.792 177.637 175.900 -0.091 0.000 1.179 331 Y CA 2.186 60.247 58.100 -0.065 0.000 1.161 331 Y CB -0.403 38.023 38.460 -0.055 0.000 0.970 331 Y HN 0.218 nan 8.280 nan 0.000 0.511 332 D N -0.854 119.574 120.400 0.048 0.000 2.328 332 D HA -0.034 3.921 4.640 -1.142 0.000 0.226 332 D C 1.274 177.530 176.300 -0.074 0.000 1.066 332 D CA 0.523 54.509 54.000 -0.023 0.000 0.861 332 D CB -0.708 40.179 40.800 0.145 0.000 0.912 332 D HN 0.475 nan 8.370 nan 0.000 0.521 333 L N 0.127 121.289 121.223 -0.101 0.000 2.446 333 L HA 0.146 3.801 4.340 -1.142 0.000 0.219 333 L C 0.957 177.703 176.870 -0.207 0.000 1.116 333 L CA 0.367 55.166 54.840 -0.068 0.000 0.844 333 L CB -0.555 41.509 42.059 0.008 0.000 0.970 333 L HN 0.096 nan 8.230 nan 0.000 0.457 334 T N -1.640 112.605 114.554 -0.515 0.000 2.874 334 T HA 0.532 4.197 4.350 -1.142 0.000 0.281 334 T C 0.219 174.651 174.700 -0.448 0.000 0.994 334 T CA -0.482 61.183 62.100 -0.724 0.000 1.015 334 T CB 1.974 70.228 68.868 -1.023 0.000 1.028 334 T HN 0.214 nan 8.240 nan 0.000 0.523 335 S N -0.328 115.167 115.700 -0.342 0.000 2.794 335 S HA 0.462 4.246 4.470 -1.142 0.000 0.299 335 S C 0.862 175.345 174.600 -0.195 0.000 1.179 335 S CA -1.042 57.029 58.200 -0.215 0.000 0.838 335 S CB 1.694 64.840 63.200 -0.091 0.000 1.206 335 S HN 0.808 nan 8.310 nan 0.000 0.523 336 K N 0.070 120.411 120.400 -0.098 0.000 2.103 336 K HA -0.088 3.547 4.320 -1.142 0.000 0.207 336 K C 0.121 176.710 176.600 -0.019 0.000 1.048 336 K CA 2.001 58.261 56.287 -0.045 0.000 0.930 336 K CB -0.260 32.255 32.500 0.026 0.000 0.716 336 K HN 0.582 nan 8.250 nan 0.000 0.444 337 D N 0.439 120.835 120.400 -0.007 0.000 2.463 337 D HA 0.085 4.040 4.640 -1.142 0.000 0.224 337 D C -0.599 175.710 176.300 0.016 0.000 1.174 337 D CA 0.058 54.074 54.000 0.026 0.000 0.829 337 D CB 0.641 41.473 40.800 0.054 0.000 0.993 337 D HN 0.026 nan 8.370 nan 0.000 0.497 338 S N 0.510 116.183 115.700 -0.045 0.000 2.558 338 S HA 0.027 3.812 4.470 -1.142 0.000 0.291 338 S C 0.657 175.269 174.600 0.020 0.000 1.306 338 S CA 0.233 58.427 58.200 -0.009 0.000 1.056 338 S CB 0.658 63.735 63.200 -0.204 0.000 0.836 338 S HN 0.106 nan 8.310 nan 0.000 0.504 339 T N 4.322 118.931 114.554 0.091 0.000 2.738 339 T HA 0.303 3.968 4.350 -1.142 0.000 0.293 339 T C 0.104 174.864 174.700 0.099 0.000 0.913 339 T CA 0.132 62.219 62.100 -0.022 0.000 1.103 339 T CB -0.591 68.216 68.868 -0.102 0.000 0.880 339 T HN 0.372 nan 8.240 nan 0.000 0.526 340 I N 4.978 125.568 120.570 0.033 0.000 2.410 340 I HA 0.362 3.847 4.170 -1.142 0.000 0.286 340 I C -0.420 175.749 176.117 0.087 0.000 1.009 340 I CA -1.000 60.357 61.300 0.095 0.000 1.111 340 I CB 1.521 39.529 38.000 0.012 0.000 1.262 340 I HN 0.334 nan 8.210 nan 0.000 0.443 341 I N 7.193 127.832 120.570 0.115 0.000 2.304 341 I HA 0.300 3.785 4.170 -1.142 0.000 0.291 341 I C 0.120 176.311 176.117 0.123 0.000 1.018 341 I CA -0.671 60.694 61.300 0.107 0.000 1.260 341 I CB 1.257 39.321 38.000 0.107 0.000 1.390 341 I HN 0.156 nan 8.210 nan 0.000 0.475 342 V N 5.532 125.518 119.914 0.120 0.000 2.394 342 V HA 0.487 3.921 4.120 -1.142 0.000 0.282 342 V C 0.813 176.979 176.094 0.120 0.000 1.031 342 V CA -0.974 61.403 62.300 0.129 0.000 0.881 342 V CB 1.427 33.351 31.823 0.168 0.000 0.982 342 V HN 0.850 nan 8.190 nan 0.000 0.451 343 A N 4.062 126.948 122.820 0.110 0.000 2.473 343 A HA 0.345 3.980 4.320 -1.142 0.000 0.282 343 A C 0.567 178.224 177.584 0.122 0.000 1.163 343 A CA -0.004 52.105 52.037 0.120 0.000 0.827 343 A CB -0.490 18.541 19.000 0.053 0.000 1.098 343 A HN 0.791 nan 8.150 nan 0.000 0.515 344 N N 2.321 121.115 118.700 0.156 0.000 2.497 344 N HA 0.243 4.298 4.740 -1.142 0.000 0.284 344 N C -0.728 174.912 175.510 0.217 0.000 1.459 344 N CA 0.028 53.145 53.050 0.112 0.000 0.899 344 N CB 0.384 38.845 38.487 -0.043 0.000 1.316 344 N HN 0.628 nan 8.380 nan 0.000 0.500 345 L N 0.677 122.029 121.223 0.215 0.000 2.379 345 L HA 0.385 4.040 4.340 -1.142 0.000 0.269 345 L C 1.182 178.076 176.870 0.041 0.000 1.084 345 L CA -0.616 54.335 54.840 0.185 0.000 0.802 345 L CB 0.945 43.105 42.059 0.168 0.000 1.175 345 L HN 0.117 nan 8.230 nan 0.000 0.448 346 S N -0.272 115.298 115.700 -0.217 0.000 2.580 346 S HA -0.005 3.779 4.470 -1.142 0.000 0.266 346 S C 0.576 175.070 174.600 -0.177 0.000 1.354 346 S CA -0.598 57.363 58.200 -0.399 0.000 1.008 346 S CB 0.708 63.550 63.200 -0.596 0.000 0.898 346 S HN 0.607 nan 8.310 nan 0.000 0.555 347 D N 2.327 122.628 120.400 -0.166 0.000 2.103 347 D HA -0.055 3.899 4.640 -1.142 0.000 0.190 347 D C -0.576 175.646 176.300 -0.130 0.000 0.997 347 D CA 1.617 55.538 54.000 -0.132 0.000 0.833 347 D CB -2.163 38.549 40.800 -0.147 0.000 0.961 347 D HN 0.474 nan 8.370 nan 0.000 0.447 348 P HA -0.144 nan 4.420 nan 0.000 0.213 348 P C 1.292 178.550 177.300 -0.069 0.000 1.170 348 P CA 2.263 65.299 63.100 -0.107 0.000 0.902 348 P CB -0.171 31.468 31.700 -0.101 0.000 0.789 349 A N -0.544 122.243 122.820 -0.055 0.000 2.015 349 A HA -0.190 3.445 4.320 -1.142 0.000 0.219 349 A C 2.395 179.972 177.584 -0.012 0.000 1.163 349 A CA 1.404 53.440 52.037 -0.002 0.000 0.646 349 A CB -1.121 17.907 19.000 0.047 0.000 0.806 349 A HN 0.044 nan 8.150 nan 0.000 0.448 350 R N -0.310 120.165 120.500 -0.042 0.000 2.115 350 R HA -0.054 3.600 4.340 -1.142 0.000 0.230 350 R C 2.137 178.364 176.300 -0.123 0.000 1.111 350 R CA 1.203 57.265 56.100 -0.063 0.000 0.976 350 R CB -0.335 29.928 30.300 -0.062 0.000 0.870 350 R HN 0.428 nan 8.270 nan 0.000 0.445 351 A N 1.059 123.815 122.820 -0.108 0.000 2.070 351 A HA -0.181 3.454 4.320 -1.142 0.000 0.220 351 A C 1.231 178.730 177.584 -0.142 0.000 1.159 351 A CA 1.683 53.648 52.037 -0.120 0.000 0.656 351 A CB -0.433 18.515 19.000 -0.086 0.000 0.800 351 A HN 0.799 nan 8.150 nan 0.000 0.453 352 N N -3.512 115.115 118.700 -0.122 0.000 2.081 352 N HA 0.087 4.142 4.740 -1.142 0.000 0.230 352 N C -0.610 174.850 175.510 -0.084 0.000 1.351 352 N CA 0.206 53.194 53.050 -0.104 0.000 0.840 352 N CB 0.625 39.099 38.487 -0.022 0.000 1.189 352 N HN 0.006 nan 8.380 nan 0.000 0.503 353 T N 0.340 114.834 114.554 -0.099 0.000 2.797 353 T HA 0.282 3.947 4.350 -1.142 0.000 0.279 353 T C -1.085 173.533 174.700 -0.137 0.000 0.991 353 T CA -0.372 61.745 62.100 0.028 0.000 0.979 353 T CB 0.727 69.705 68.868 0.183 0.000 0.943 353 T HN 0.150 nan 8.240 nan 0.000 0.444 354 W N 2.506 123.840 121.300 0.057 0.000 2.388 354 W HA 0.435 4.411 4.660 -1.141 0.000 0.308 354 W C -0.151 176.231 176.519 -0.228 0.000 1.263 354 W CA -0.776 56.539 57.345 -0.050 0.000 1.286 354 W CB 0.215 29.660 29.460 -0.026 0.000 1.294 354 W HN 0.333 nan 8.180 nan 0.000 0.493 355 V N 5.578 125.295 119.914 -0.328 0.000 2.446 355 V HA 0.153 3.588 4.120 -1.142 0.000 0.276 355 V C 0.236 176.019 176.094 -0.518 0.000 1.030 355 V CA -0.153 61.556 62.300 -0.986 0.000 1.033 355 V CB -0.317 31.175 31.823 -0.552 0.000 0.993 355 V HN 0.642 nan 8.190 nan 0.000 0.477 356 Q N 2.595 122.056 119.800 -0.564 0.000 2.630 356 Q HA 0.480 4.134 4.340 -1.142 0.000 0.295 356 Q C -1.382 174.709 176.000 0.151 0.000 0.944 356 Q CA -1.053 54.717 55.803 -0.055 0.000 0.766 356 Q CB 1.655 30.438 28.738 0.074 0.000 1.471 356 Q HN 0.409 nan 8.270 nan 0.000 0.416 357 D N 1.016 121.535 120.400 0.198 0.000 2.402 357 D HA 0.196 4.150 4.640 -1.142 0.000 0.235 357 D C 0.307 176.810 176.300 0.337 0.000 1.226 357 D CA -0.078 54.110 54.000 0.314 0.000 0.918 357 D CB 0.596 41.553 40.800 0.262 0.000 1.043 357 D HN 0.645 nan 8.370 nan 0.000 0.506 358 L N 3.379 124.878 121.223 0.460 0.000 2.291 358 L HA -0.016 3.639 4.340 -1.142 0.000 0.214 358 L C 1.316 178.307 176.870 0.202 0.000 1.120 358 L CA 0.245 55.249 54.840 0.275 0.000 0.799 358 L CB -0.541 41.591 42.059 0.121 0.000 0.925 358 L HN 0.618 nan 8.230 nan 0.000 0.446 359 N N 0.239 119.129 118.700 0.316 0.000 2.693 359 N HA -0.244 3.811 4.740 -1.142 0.000 0.249 359 N C 0.420 175.954 175.510 0.041 0.000 1.119 359 N CA 0.150 53.276 53.050 0.127 0.000 0.717 359 N CB -0.399 38.087 38.487 -0.003 0.000 1.071 359 N HN 0.239 nan 8.380 nan 0.000 0.555 360 R N 1.022 121.572 120.500 0.084 0.000 2.537 360 R HA 0.021 3.675 4.340 -1.142 0.000 0.280 360 R C 0.198 176.506 176.300 0.012 0.000 1.058 360 R CA 0.110 56.195 56.100 -0.024 0.000 1.057 360 R CB 0.274 30.420 30.300 -0.257 0.000 0.973 360 R HN 0.309 nan 8.270 nan 0.000 0.438 361 N N 0.182 118.833 118.700 -0.081 0.000 2.707 361 N HA -0.248 3.807 4.740 -1.142 0.000 0.253 361 N C -1.372 173.976 175.510 -0.270 0.000 0.998 361 N CA 1.449 54.362 53.050 -0.229 0.000 0.751 361 N CB -0.718 37.508 38.487 -0.435 0.000 0.920 361 N HN 0.654 nan 8.380 nan 0.000 0.539 362 A N -0.506 122.220 122.820 -0.158 0.000 2.594 362 A HA 0.550 4.185 4.320 -1.142 0.000 0.295 362 A C -0.185 177.310 177.584 -0.149 0.000 1.071 362 A CA -0.839 51.116 52.037 -0.137 0.000 0.685 362 A CB 1.474 20.410 19.000 -0.106 0.000 1.285 362 A HN 0.141 nan 8.150 nan 0.000 0.405 363 E N 0.584 120.717 120.200 -0.111 0.000 2.392 363 E HA 0.285 3.950 4.350 -1.142 0.000 0.256 363 E C -0.320 176.181 176.600 -0.165 0.000 1.145 363 E CA -0.156 56.188 56.400 -0.092 0.000 0.929 363 E CB 0.354 30.035 29.700 -0.032 0.000 0.998 363 E HN 0.574 nan 8.360 nan 0.000 0.442 364 T N 2.119 116.610 114.554 -0.105 0.000 2.871 364 T HA -0.021 3.644 4.350 -1.142 0.000 0.296 364 T C -0.081 174.596 174.700 -0.038 0.000 0.998 364 T CA 0.342 62.382 62.100 -0.100 0.000 1.162 364 T CB -0.231 68.623 68.868 -0.022 0.000 0.947 364 T HN 0.282 nan 8.240 nan 0.000 0.536 365 H N 2.111 121.220 119.070 0.064 0.000 2.790 365 H HA 0.267 4.137 4.556 -1.143 0.000 0.358 365 H C 0.370 175.740 175.328 0.070 0.000 1.103 365 H CA -0.399 55.694 56.048 0.075 0.000 1.426 365 H CB 0.558 30.375 29.762 0.093 0.000 1.424 365 H HN 0.130 nan 8.280 nan 0.000 0.599 366 K N 1.667 122.196 120.400 0.215 0.000 2.378 366 K HA 0.440 4.074 4.320 -1.142 0.000 0.252 366 K C 0.350 177.029 176.600 0.133 0.000 0.931 366 K CA -0.063 56.308 56.287 0.140 0.000 0.794 366 K CB 1.961 34.528 32.500 0.111 0.000 1.181 366 K HN 1.009 nan 8.250 nan 0.000 0.425 367 G N 1.315 110.185 108.800 0.117 0.000 2.681 367 G HA2 -0.227 3.048 3.960 -1.142 0.000 0.220 367 G HA3 -0.227 3.048 3.960 -1.142 0.000 0.220 367 G C -0.618 174.346 174.900 0.106 0.000 1.353 367 G CA -0.644 44.528 45.100 0.120 0.000 0.872 367 G HN 0.465 nan 8.290 nan 0.000 0.557 368 S N -0.123 115.640 115.700 0.106 0.000 2.585 368 S HA 0.587 4.372 4.470 -1.142 0.000 0.273 368 S C 0.498 175.083 174.600 -0.024 0.000 1.339 368 S CA 0.544 58.756 58.200 0.021 0.000 1.028 368 S CB 1.217 64.444 63.200 0.045 0.000 0.906 368 S HN 0.896 nan 8.310 nan 0.000 0.528 369 T N 3.057 117.525 114.554 -0.144 0.000 2.794 369 T HA 0.524 4.189 4.350 -1.142 0.000 0.280 369 T C -0.749 173.793 174.700 -0.263 0.000 0.987 369 T CA -0.231 61.820 62.100 -0.082 0.000 0.993 369 T CB 0.158 69.014 68.868 -0.020 0.000 0.939 369 T HN 0.341 nan 8.240 nan 0.000 0.449 370 F N 2.636 122.606 119.950 0.032 0.000 2.436 370 F HA 0.608 4.449 4.527 -1.143 0.000 0.340 370 F C 0.275 176.107 175.800 0.053 0.000 1.113 370 F CA -1.088 56.923 58.000 0.017 0.000 1.022 370 F CB 1.150 40.135 39.000 -0.025 0.000 1.128 370 F HN 0.286 nan 8.300 nan 0.000 0.466 371 I N 5.326 126.034 120.570 0.229 0.000 2.439 371 I HA 0.332 3.817 4.170 -1.142 0.000 0.285 371 I C -1.044 175.226 176.117 0.253 0.000 1.021 371 I CA -0.666 60.752 61.300 0.196 0.000 1.091 371 I CB 1.458 39.536 38.000 0.131 0.000 1.242 371 I HN 0.330 nan 8.210 nan 0.000 0.439 372 I N 5.312 126.015 120.570 0.221 0.000 2.339 372 I HA 0.401 3.886 4.170 -1.142 0.000 0.290 372 I C 0.982 177.190 176.117 0.152 0.000 0.994 372 I CA -0.148 61.286 61.300 0.224 0.000 1.191 372 I CB 0.866 38.992 38.000 0.209 0.000 1.343 372 I HN 0.582 nan 8.210 nan 0.000 0.458 373 G N 4.736 113.622 108.800 0.142 0.000 2.516 373 G HA2 0.460 3.735 3.960 -1.142 0.000 0.276 373 G HA3 0.460 3.735 3.960 -1.142 0.000 0.276 373 G C 0.057 174.999 174.900 0.069 0.000 1.390 373 G CA -0.161 44.983 45.100 0.074 0.000 1.050 373 G HN 0.687 nan 8.290 nan 0.000 0.519 374 S N -2.014 113.709 115.700 0.038 0.000 2.766 374 S HA 0.373 4.158 4.470 -1.142 0.000 0.307 374 S C 0.051 174.668 174.600 0.029 0.000 1.121 374 S CA -0.545 57.679 58.200 0.039 0.000 0.980 374 S CB 1.986 65.204 63.200 0.029 0.000 1.159 374 S HN 0.310 nan 8.310 nan 0.000 0.546 375 D N 0.931 121.348 120.400 0.029 0.000 2.352 375 D HA 0.251 4.205 4.640 -1.142 0.000 0.232 375 D C 0.268 176.572 176.300 0.007 0.000 1.055 375 D CA 0.435 54.447 54.000 0.021 0.000 0.891 375 D CB -0.035 40.779 40.800 0.024 0.000 0.897 375 D HN 0.352 nan 8.370 nan 0.000 0.529 376 S N 0.206 115.904 115.700 -0.003 0.000 2.745 376 S HA 0.296 4.080 4.470 -1.142 0.000 0.292 376 S C 0.131 174.704 174.600 -0.044 0.000 1.127 376 S CA -0.847 57.341 58.200 -0.021 0.000 1.007 376 S CB 0.824 64.011 63.200 -0.022 0.000 1.165 376 S HN 0.039 nan 8.310 nan 0.000 0.544 377 N N 3.083 121.745 118.700 -0.062 0.000 2.416 377 N HA 0.206 4.261 4.740 -1.142 0.000 0.265 377 N C -0.958 174.464 175.510 -0.146 0.000 1.195 377 N CA 0.274 53.266 53.050 -0.097 0.000 0.943 377 N CB -0.103 38.328 38.487 -0.093 0.000 1.115 377 N HN 0.429 nan 8.380 nan 0.000 0.481 378 D N 1.521 121.805 120.400 -0.193 0.000 2.269 378 D HA 0.397 4.352 4.640 -1.142 0.000 0.244 378 D C 0.092 176.151 176.300 -0.403 0.000 0.992 378 D CA -0.413 53.434 54.000 -0.256 0.000 0.894 378 D CB 1.990 42.664 40.800 -0.210 0.000 1.248 378 D HN 0.189 nan 8.370 nan 0.000 0.468 379 L N 1.830 122.751 121.223 -0.503 0.000 2.298 379 L HA 0.509 4.164 4.340 -1.142 0.000 0.284 379 L C -0.372 176.252 176.870 -0.411 0.000 1.013 379 L CA -0.531 53.828 54.840 -0.802 0.000 0.824 379 L CB 1.089 42.214 42.059 -1.557 0.000 1.221 379 L HN 0.149 nan 8.230 nan 0.000 0.418 380 I N 3.274 123.768 120.570 -0.127 0.000 2.466 380 I HA 0.334 3.819 4.170 -1.142 0.000 0.289 380 I C -0.591 175.733 176.117 0.346 0.000 1.026 380 I CA -0.475 60.860 61.300 0.058 0.000 1.078 380 I CB 2.284 40.251 38.000 -0.055 0.000 1.249 380 I HN 0.519 nan 8.210 nan 0.000 0.429 381 Q N 4.771 124.743 119.800 0.286 0.000 2.327 381 Q HA 0.655 4.310 4.340 -1.142 0.000 0.270 381 Q C -0.556 175.503 176.000 0.097 0.000 1.022 381 Q CA -0.482 55.431 55.803 0.183 0.000 0.773 381 Q CB 1.984 30.789 28.738 0.112 0.000 1.251 381 Q HN 0.777 nan 8.270 nan 0.000 0.457 382 G N 1.627 110.474 108.800 0.079 0.000 2.504 382 G HA2 0.570 3.845 3.960 -1.142 0.000 0.288 382 G HA3 0.570 3.845 3.960 -1.142 0.000 0.288 382 G C -0.074 174.830 174.900 0.006 0.000 1.182 382 G CA -0.243 44.876 45.100 0.032 0.000 0.894 382 G HN 0.734 nan 8.290 nan 0.000 0.521 383 G N -1.143 107.658 108.800 0.001 0.000 2.531 383 G HA2 0.394 3.669 3.960 -1.142 0.000 0.281 383 G HA3 0.394 3.669 3.960 -1.142 0.000 0.281 383 G C 1.149 176.038 174.900 -0.017 0.000 1.382 383 G CA 0.553 45.654 45.100 0.002 0.000 1.045 383 G HN 1.094 nan 8.290 nan 0.000 0.533 384 S N -1.249 114.444 115.700 -0.012 0.000 2.575 384 S HA 0.290 4.075 4.470 -1.142 0.000 0.215 384 S C 1.212 175.800 174.600 -0.020 0.000 0.966 384 S CA 0.230 58.416 58.200 -0.024 0.000 0.911 384 S CB -0.013 63.176 63.200 -0.019 0.000 0.780 384 S HN 0.830 nan 8.310 nan 0.000 0.514 385 G N 1.741 110.536 108.800 -0.009 0.000 2.508 385 G HA2 0.348 3.622 3.960 -1.142 0.000 0.278 385 G HA3 0.348 3.622 3.960 -1.142 0.000 0.278 385 G C -0.405 174.468 174.900 -0.044 0.000 1.389 385 G CA -0.895 44.204 45.100 -0.003 0.000 1.050 385 G HN 0.377 nan 8.290 nan 0.000 0.522 386 N N 0.798 119.469 118.700 -0.049 0.000 2.458 386 N HA 0.321 4.376 4.740 -1.142 0.000 0.270 386 N C -1.259 174.068 175.510 -0.306 0.000 1.102 386 N CA 0.146 53.106 53.050 -0.150 0.000 0.967 386 N CB 1.566 40.005 38.487 -0.081 0.000 1.078 386 N HN 0.383 nan 8.380 nan 0.000 0.471 387 D N 0.504 120.612 120.400 -0.488 0.000 2.819 387 D HA 0.316 4.271 4.640 -1.142 0.000 0.232 387 D C -1.167 174.665 176.300 -0.779 0.000 1.160 387 D CA -0.342 53.376 54.000 -0.470 0.000 0.858 387 D CB 1.299 41.966 40.800 -0.222 0.000 1.610 387 D HN 0.345 nan 8.370 nan 0.000 0.481 388 Y N 1.309 121.271 120.300 -0.563 0.000 2.376 388 Y HA 0.426 4.290 4.550 -1.143 0.000 0.326 388 Y C -0.569 175.086 175.900 -0.408 0.000 0.970 388 Y CA -0.857 56.748 58.100 -0.825 0.000 1.248 388 Y CB 0.929 38.374 38.460 -1.691 0.000 1.117 388 Y HN 0.097 nan 8.280 nan 0.000 0.476 389 L N 3.688 124.955 121.223 0.073 0.000 2.287 389 L HA 0.526 4.181 4.340 -1.142 0.000 0.287 389 L C -0.243 176.959 176.870 0.554 0.000 1.022 389 L CA -0.516 54.516 54.840 0.321 0.000 0.814 389 L CB 1.743 43.964 42.059 0.269 0.000 1.217 389 L HN 0.580 nan 8.230 nan 0.000 0.420 390 E N 1.533 122.088 120.200 0.592 0.000 2.191 390 E HA 0.361 4.026 4.350 -1.142 0.000 0.263 390 E C 0.393 177.225 176.600 0.387 0.000 0.881 390 E CA -0.318 56.366 56.400 0.473 0.000 0.757 390 E CB 1.929 31.871 29.700 0.404 0.000 1.147 390 E HN 0.721 nan 8.360 nan 0.000 0.414 391 G N 3.589 112.635 108.800 0.410 0.000 2.492 391 G HA2 0.010 3.285 3.960 -1.142 0.000 0.214 391 G HA3 0.010 3.285 3.960 -1.142 0.000 0.214 391 G C 0.553 175.542 174.900 0.148 0.000 1.147 391 G CA 0.195 45.473 45.100 0.297 0.000 0.809 391 G HN 0.662 nan 8.290 nan 0.000 0.533 392 R N -1.066 119.512 120.500 0.130 0.000 3.797 392 R HA -0.162 3.493 4.340 -1.142 0.000 0.502 392 R C 0.715 177.050 176.300 0.058 0.000 0.241 392 R CA 0.385 56.529 56.100 0.074 0.000 1.568 392 R CB -1.428 28.913 30.300 0.068 0.000 1.016 392 R HN 0.641 nan 8.270 nan 0.000 0.558 393 A N 0.095 122.937 122.820 0.037 0.000 2.280 393 A HA 0.570 4.205 4.320 -1.142 0.000 0.268 393 A C 0.739 178.332 177.584 0.015 0.000 1.111 393 A CA 0.735 52.788 52.037 0.026 0.000 0.814 393 A CB -0.015 18.996 19.000 0.018 0.000 1.093 393 A HN 1.659 nan 8.150 nan 0.000 0.498 394 G N -0.332 108.472 108.800 0.007 0.000 2.756 394 G HA2 -0.064 3.211 3.960 -1.142 0.000 0.678 394 G HA3 -0.064 3.211 3.960 -1.142 0.000 0.678 394 G C -0.862 174.033 174.900 -0.008 0.000 1.349 394 G CA -0.298 44.797 45.100 -0.008 0.000 0.847 394 G HN 1.040 nan 8.290 nan 0.000 0.548 395 N N 2.050 120.734 118.700 -0.026 0.000 2.527 395 N HA 0.403 4.458 4.740 -1.142 0.000 0.236 395 N C -0.827 174.645 175.510 -0.063 0.000 0.999 395 N CA -0.338 52.698 53.050 -0.022 0.000 0.935 395 N CB 1.077 39.552 38.487 -0.020 0.000 1.132 395 N HN 0.533 nan 8.380 nan 0.000 0.511 396 D N 0.650 121.010 120.400 -0.066 0.000 2.217 396 D HA 0.390 4.345 4.640 -1.142 0.000 0.248 396 D C -0.120 176.051 176.300 -0.215 0.000 1.008 396 D CA -0.042 53.826 54.000 -0.219 0.000 0.914 396 D CB 1.835 42.429 40.800 -0.343 0.000 1.182 396 D HN 0.149 nan 8.370 nan 0.000 0.451 397 T N 1.281 115.626 114.554 -0.348 0.000 2.824 397 T HA 0.473 4.138 4.350 -1.142 0.000 0.282 397 T C -0.524 174.047 174.700 -0.214 0.000 0.993 397 T CA -0.505 61.521 62.100 -0.123 0.000 0.967 397 T CB 0.515 69.378 68.868 -0.008 0.000 0.960 397 T HN 0.112 nan 8.240 nan 0.000 0.441 398 F N 1.621 121.687 119.950 0.194 0.000 2.507 398 F HA 0.733 4.575 4.527 -1.141 0.000 0.327 398 F C 0.882 176.796 175.800 0.191 0.000 1.068 398 F CA -1.170 56.958 58.000 0.212 0.000 0.965 398 F CB 1.696 40.758 39.000 0.105 0.000 1.192 398 F HN 0.173 nan 8.300 nan 0.000 0.476 399 R N 0.399 121.085 120.500 0.310 0.000 2.836 399 R HA 0.489 4.144 4.340 -1.142 0.000 0.269 399 R C -1.913 174.429 176.300 0.069 0.000 1.010 399 R CA -1.062 55.077 56.100 0.066 0.000 0.930 399 R CB 2.566 32.727 30.300 -0.232 0.000 1.218 399 R HN 0.693 nan 8.270 nan 0.000 0.473 400 D N -0.313 120.091 120.400 0.006 0.000 2.836 400 D HA 0.115 4.069 4.640 -1.142 0.000 0.215 400 D C -0.321 175.968 176.300 -0.017 0.000 1.255 400 D CA -0.303 53.697 54.000 -0.001 0.000 0.822 400 D CB 2.066 42.864 40.800 -0.003 0.000 1.656 400 D HN 0.733 nan 8.370 nan 0.000 0.511 401 G N 1.281 110.065 108.800 -0.026 0.000 3.262 401 G HA2 0.482 3.757 3.960 -1.142 0.000 0.228 401 G HA3 0.482 3.757 3.960 -1.142 0.000 0.228 401 G C 0.770 175.653 174.900 -0.028 0.000 1.197 401 G CA 0.640 45.725 45.100 -0.024 0.000 0.819 401 G HN 0.840 nan 8.290 nan 0.000 0.531 402 G N -1.761 107.016 108.800 -0.038 0.000 2.352 402 G HA2 0.483 3.758 3.960 -1.142 0.000 0.324 402 G HA3 0.483 3.758 3.960 -1.142 0.000 0.324 402 G C 0.510 175.336 174.900 -0.122 0.000 1.249 402 G CA 0.220 45.276 45.100 -0.073 0.000 1.053 402 G HN 2.090 nan 8.290 nan 0.000 0.492 403 G N -1.699 106.986 108.800 -0.192 0.000 2.584 403 G HA2 0.222 3.497 3.960 -1.142 0.000 0.229 403 G HA3 0.222 3.497 3.960 -1.142 0.000 0.229 403 G C -0.339 174.298 174.900 -0.438 0.000 1.320 403 G CA 0.430 45.390 45.100 -0.233 0.000 0.891 403 G HN 1.842 nan 8.290 nan 0.000 0.573 404 Y N 2.005 122.254 120.300 -0.084 0.000 2.331 404 Y HA 0.628 4.492 4.550 -1.142 0.000 0.338 404 Y C 0.785 176.541 175.900 -0.239 0.000 0.992 404 Y CA -0.681 57.354 58.100 -0.108 0.000 1.121 404 Y CB 1.749 40.169 38.460 -0.067 0.000 1.184 404 Y HN 0.605 nan 8.280 nan 0.000 0.469 405 N N 1.536 120.156 118.700 -0.134 0.000 2.329 405 N HA 0.567 4.622 4.740 -1.142 0.000 0.282 405 N C -1.839 173.531 175.510 -0.232 0.000 1.198 405 N CA -0.747 52.119 53.050 -0.306 0.000 0.790 405 N CB 2.802 41.154 38.487 -0.226 0.000 1.579 405 N HN 0.224 nan 8.380 nan 0.000 0.475 406 V N 1.744 121.482 119.914 -0.293 0.000 2.444 406 V HA 0.518 3.953 4.120 -1.142 0.000 0.294 406 V C -0.186 175.935 176.094 0.047 0.000 1.022 406 V CA -0.591 61.707 62.300 -0.003 0.000 0.850 406 V CB 1.353 33.369 31.823 0.322 0.000 0.992 406 V HN 0.544 nan 8.190 nan 0.000 0.426 407 I N 6.071 126.611 120.570 -0.051 0.000 2.382 407 I HA 0.454 3.938 4.170 -1.142 0.000 0.286 407 I C -0.713 175.278 176.117 -0.211 0.000 1.002 407 I CA -0.275 60.890 61.300 -0.225 0.000 1.135 407 I CB 1.532 39.250 38.000 -0.470 0.000 1.288 407 I HN 0.356 nan 8.210 nan 0.000 0.448 408 L N 5.689 126.848 121.223 -0.107 0.000 2.298 408 L HA 0.466 4.121 4.340 -1.142 0.000 0.284 408 L C 1.232 178.091 176.870 -0.018 0.000 1.013 408 L CA -0.336 54.462 54.840 -0.070 0.000 0.824 408 L CB 1.696 43.720 42.059 -0.059 0.000 1.221 408 L HN 0.756 nan 8.230 nan 0.000 0.418 409 G N 1.540 110.339 108.800 -0.001 0.000 2.712 409 G HA2 0.340 3.615 3.960 -1.142 0.000 0.212 409 G HA3 0.340 3.615 3.960 -1.142 0.000 0.212 409 G C 0.865 175.864 174.900 0.165 0.000 1.142 409 G CA 0.549 45.781 45.100 0.219 0.000 0.789 409 G HN 0.916 nan 8.290 nan 0.000 0.535 410 G N 0.105 108.951 108.800 0.075 0.000 2.575 410 G HA2 0.176 3.451 3.960 -1.142 0.000 0.267 410 G HA3 0.176 3.451 3.960 -1.142 0.000 0.267 410 G C 0.675 175.599 174.900 0.040 0.000 1.264 410 G CA 0.180 45.308 45.100 0.046 0.000 0.935 410 G HN 1.436 nan 8.290 nan 0.000 0.568 411 A N -0.409 122.429 122.820 0.030 0.000 2.492 411 A HA 0.711 4.345 4.320 -1.142 0.000 0.236 411 A C 1.899 179.502 177.584 0.031 0.000 1.078 411 A CA 2.338 54.389 52.037 0.023 0.000 0.773 411 A CB -0.398 18.612 19.000 0.017 0.000 1.023 411 A HN 3.022 nan 8.150 nan 0.000 0.504 412 G N 0.533 109.346 108.800 0.021 0.000 2.660 412 G HA2 -0.123 3.151 3.960 -1.142 0.000 0.247 412 G HA3 -0.123 3.151 3.960 -1.142 0.000 0.247 412 G C -0.651 174.264 174.900 0.025 0.000 1.328 412 G CA -0.233 44.878 45.100 0.019 0.000 0.884 412 G HN 1.063 nan 8.290 nan 0.000 0.531 413 N N 2.166 120.879 118.700 0.021 0.000 2.469 413 N HA 0.367 4.421 4.740 -1.142 0.000 0.253 413 N C -0.541 174.994 175.510 0.041 0.000 0.970 413 N CA -0.459 52.606 53.050 0.025 0.000 0.940 413 N CB 0.840 39.334 38.487 0.013 0.000 1.128 413 N HN 0.550 nan 8.380 nan 0.000 0.503 414 N N 0.805 119.547 118.700 0.070 0.000 2.328 414 N HA 0.514 4.569 4.740 -1.142 0.000 0.299 414 N C -0.630 174.961 175.510 0.134 0.000 1.179 414 N CA -0.224 52.902 53.050 0.127 0.000 0.793 414 N CB 2.139 40.758 38.487 0.220 0.000 1.366 414 N HN 0.239 nan 8.380 nan 0.000 0.493 415 T N 0.775 115.444 114.554 0.192 0.000 2.956 415 T HA 0.359 4.024 4.350 -1.142 0.000 0.312 415 T C -1.168 173.694 174.700 0.270 0.000 1.151 415 T CA -0.509 61.690 62.100 0.166 0.000 1.024 415 T CB 1.827 70.762 68.868 0.113 0.000 1.140 415 T HN 0.307 nan 8.240 nan 0.000 0.473 416 L N 3.204 124.539 121.223 0.186 0.000 2.298 416 L HA 0.667 4.322 4.340 -1.142 0.000 0.284 416 L C -0.976 175.956 176.870 0.103 0.000 1.013 416 L CA -0.496 54.451 54.840 0.178 0.000 0.824 416 L CB 1.143 43.238 42.059 0.059 0.000 1.221 416 L HN 0.567 nan 8.230 nan 0.000 0.418 417 D N 4.558 125.033 120.400 0.125 0.000 2.359 417 D HA 0.213 4.168 4.640 -1.142 0.000 0.230 417 D C 0.620 176.923 176.300 0.005 0.000 1.118 417 D CA -0.107 53.936 54.000 0.072 0.000 0.844 417 D CB 0.973 41.841 40.800 0.113 0.000 1.059 417 D HN 0.682 nan 8.370 nan 0.000 0.493 418 L N 2.530 123.724 121.223 -0.048 0.000 2.341 418 L HA 0.030 3.685 4.340 -1.142 0.000 0.214 418 L C 0.963 177.847 176.870 0.023 0.000 1.115 418 L CA 0.136 54.904 54.840 -0.120 0.000 0.820 418 L CB -0.316 41.493 42.059 -0.417 0.000 0.944 418 L HN 0.554 nan 8.230 nan 0.000 0.452 419 Q N 0.867 120.688 119.800 0.035 0.000 2.434 419 Q HA -0.231 3.424 4.340 -1.142 0.000 0.299 419 Q C -0.597 175.459 176.000 0.093 0.000 1.286 419 Q CA 0.900 56.728 55.803 0.042 0.000 0.872 419 Q CB -1.259 27.476 28.738 -0.005 0.000 1.193 419 Q HN 0.536 nan 8.270 nan 0.000 0.466 420 K N -0.969 119.540 120.400 0.182 0.000 2.305 420 K HA 0.560 4.194 4.320 -1.142 0.000 0.268 420 K C -0.420 176.310 176.600 0.215 0.000 1.034 420 K CA -0.896 55.505 56.287 0.190 0.000 0.879 420 K CB 1.254 33.877 32.500 0.205 0.000 1.506 420 K HN -0.023 nan 8.250 nan 0.000 0.425 421 S N 0.263 116.044 115.700 0.135 0.000 2.580 421 S HA 0.042 3.827 4.470 -1.142 0.000 0.274 421 S C 1.044 175.779 174.600 0.225 0.000 1.329 421 S CA -0.493 57.760 58.200 0.088 0.000 1.036 421 S CB 1.159 64.346 63.200 -0.022 0.000 0.919 421 S HN 0.460 nan 8.310 nan 0.000 0.515 422 V N 4.997 125.014 119.914 0.171 0.000 2.568 422 V HA -0.176 3.258 4.120 -1.142 0.000 0.253 422 V C 1.704 177.971 176.094 0.288 0.000 1.072 422 V CA 2.586 65.052 62.300 0.275 0.000 1.084 422 V CB -1.046 30.899 31.823 0.203 0.000 0.676 422 V HN 0.937 nan 8.190 nan 0.000 0.469 423 N N 0.008 118.784 118.700 0.127 0.000 2.309 423 N HA -0.135 3.920 4.740 -1.142 0.000 0.182 423 N C 1.587 177.114 175.510 0.029 0.000 1.018 423 N CA 1.566 54.664 53.050 0.079 0.000 0.876 423 N CB -0.209 38.281 38.487 0.006 0.000 0.972 423 N HN 0.697 nan 8.380 nan 0.000 0.434 424 T N -2.151 112.378 114.554 -0.041 0.000 3.148 424 T HA 0.131 3.796 4.350 -1.142 0.000 0.253 424 T C 0.043 174.449 174.700 -0.490 0.000 1.134 424 T CA 0.101 62.043 62.100 -0.262 0.000 1.051 424 T CB -0.351 68.280 68.868 -0.395 0.000 0.959 424 T HN -0.074 nan 8.240 nan 0.000 0.525 425 F N 1.004 120.896 119.950 -0.096 0.000 2.579 425 F HA 0.632 4.473 4.527 -1.142 0.000 0.324 425 F C -0.249 175.350 175.800 -0.336 0.000 1.058 425 F CA -1.458 56.372 58.000 -0.283 0.000 0.944 425 F CB 1.644 40.359 39.000 -0.476 0.000 1.245 425 F HN -0.051 nan 8.300 nan 0.000 0.477 426 D N 1.131 121.381 120.400 -0.250 0.000 2.342 426 D HA 0.477 4.431 4.640 -1.142 0.000 0.243 426 D C -1.216 174.825 176.300 -0.431 0.000 1.019 426 D CA -0.151 53.769 54.000 -0.134 0.000 0.864 426 D CB 2.198 43.047 40.800 0.081 0.000 1.315 426 D HN 0.159 nan 8.370 nan 0.000 0.468 427 F N 0.513 120.503 119.950 0.067 0.000 2.540 427 F HA 0.662 4.504 4.527 -1.142 0.000 0.317 427 F C 0.349 176.025 175.800 -0.207 0.000 1.104 427 F CA -0.833 57.158 58.000 -0.015 0.000 0.913 427 F CB 2.008 41.089 39.000 0.136 0.000 1.170 427 F HN 0.320 nan 8.300 nan 0.000 0.450 428 A N 2.199 124.778 122.820 -0.402 0.000 2.485 428 A HA 0.826 4.461 4.320 -1.142 0.000 0.292 428 A C -1.495 175.736 177.584 -0.588 0.000 1.147 428 A CA -0.690 50.946 52.037 -0.669 0.000 0.750 428 A CB 2.051 20.145 19.000 -1.509 0.000 1.331 428 A HN 0.675 nan 8.150 nan 0.000 0.419 429 N N 0.090 118.435 118.700 -0.592 0.000 2.578 429 N HA 0.172 4.227 4.740 -1.142 0.000 0.282 429 N C -1.375 173.794 175.510 -0.569 0.000 1.119 429 N CA -0.136 52.529 53.050 -0.643 0.000 0.948 429 N CB 1.793 39.597 38.487 -1.138 0.000 1.546 429 N HN 0.624 nan 8.380 nan 0.000 0.525 430 D N 1.966 121.930 120.400 -0.725 0.000 2.339 430 D HA 0.190 4.145 4.640 -1.142 0.000 0.217 430 D C 1.256 177.332 176.300 -0.373 0.000 1.050 430 D CA 0.672 54.084 54.000 -0.980 0.000 0.856 430 D CB -0.282 39.786 40.800 -1.221 0.000 0.922 430 D HN 0.808 nan 8.370 nan 0.000 0.518 431 G N 0.018 108.668 108.800 -0.249 0.000 2.189 431 G HA2 -0.297 2.978 3.960 -1.142 0.000 0.267 431 G HA3 -0.297 2.978 3.960 -1.142 0.000 0.267 431 G C 0.913 175.753 174.900 -0.099 0.000 0.975 431 G CA 0.381 45.407 45.100 -0.123 0.000 0.644 431 G HN 0.913 nan 8.290 nan 0.000 0.537 432 A N -0.384 122.359 122.820 -0.129 0.000 2.545 432 A HA 0.673 4.308 4.320 -1.142 0.000 0.277 432 A C 2.077 179.604 177.584 -0.095 0.000 1.301 432 A CA 1.397 53.384 52.037 -0.083 0.000 0.935 432 A CB -0.365 18.602 19.000 -0.054 0.000 1.093 432 A HN 2.330 nan 8.150 nan 0.000 0.519 433 G N -0.308 108.418 108.800 -0.122 0.000 2.176 433 G HA2 -0.199 3.075 3.960 -1.142 0.000 0.232 433 G HA3 -0.199 3.075 3.960 -1.142 0.000 0.232 433 G C -0.257 174.538 174.900 -0.176 0.000 0.986 433 G CA -0.052 44.976 45.100 -0.120 0.000 0.643 433 G HN 0.468 nan 8.290 nan 0.000 0.522 434 N N 0.269 118.820 118.700 -0.247 0.000 2.419 434 N HA 0.588 4.643 4.740 -1.142 0.000 0.277 434 N C -0.742 174.483 175.510 -0.476 0.000 1.006 434 N CA -0.324 52.485 53.050 -0.401 0.000 0.923 434 N CB 2.248 40.427 38.487 -0.514 0.000 1.140 434 N HN 0.412 nan 8.380 nan 0.000 0.488 435 L N 2.898 123.847 121.223 -0.458 0.000 2.313 435 L HA 0.489 4.144 4.340 -1.142 0.000 0.283 435 L C -1.510 175.127 176.870 -0.388 0.000 1.013 435 L CA -0.579 54.049 54.840 -0.354 0.000 0.816 435 L CB 0.554 42.499 42.059 -0.189 0.000 1.236 435 L HN 0.361 nan 8.230 nan 0.000 0.419 436 Y N 4.053 124.205 120.300 -0.246 0.000 2.330 436 Y HA 0.633 4.498 4.550 -1.142 0.000 0.336 436 Y C -0.149 175.634 175.900 -0.195 0.000 1.036 436 Y CA -0.848 57.130 58.100 -0.203 0.000 1.125 436 Y CB 1.883 40.158 38.460 -0.308 0.000 1.194 436 Y HN 0.310 nan 8.280 nan 0.000 0.469 437 V N 4.845 124.763 119.914 0.007 0.000 2.350 437 V HA 0.417 3.852 4.120 -1.142 0.000 0.285 437 V C -0.328 175.759 176.094 -0.012 0.000 1.014 437 V CA -0.985 61.240 62.300 -0.125 0.000 0.831 437 V CB 1.261 33.001 31.823 -0.139 0.000 1.000 437 V HN 0.699 nan 8.190 nan 0.000 0.433 438 R N 3.333 123.831 120.500 -0.002 0.000 2.294 438 R HA 0.453 4.108 4.340 -1.142 0.000 0.319 438 R C -0.469 175.850 176.300 0.033 0.000 0.984 438 R CA -0.559 55.591 56.100 0.083 0.000 0.861 438 R CB 1.124 31.545 30.300 0.201 0.000 1.104 438 R HN 0.917 nan 8.270 nan 0.000 0.451 439 D N 3.138 123.534 120.400 -0.007 0.000 2.423 439 D HA 0.144 4.099 4.640 -1.142 0.000 0.255 439 D C 0.666 176.811 176.300 -0.258 0.000 1.174 439 D CA -0.446 53.451 54.000 -0.171 0.000 1.008 439 D CB 0.983 41.731 40.800 -0.087 0.000 1.101 439 D HN 0.416 nan 8.370 nan 0.000 0.516 440 A N 0.250 122.840 122.820 -0.383 0.000 2.121 440 A HA -0.137 3.498 4.320 -1.142 0.000 0.218 440 A C 1.342 178.821 177.584 -0.176 0.000 1.154 440 A CA 0.720 52.592 52.037 -0.274 0.000 0.679 440 A CB -0.660 18.158 19.000 -0.304 0.000 0.795 440 A HN 0.541 nan 8.150 nan 0.000 0.458 441 N N -0.619 117.982 118.700 -0.165 0.000 2.322 441 N HA 0.170 4.225 4.740 -1.142 0.000 0.194 441 N C 1.109 176.557 175.510 -0.104 0.000 1.126 441 N CA 0.911 53.890 53.050 -0.118 0.000 0.845 441 N CB 0.398 38.820 38.487 -0.108 0.000 0.976 441 N HN 0.582 nan 8.380 nan 0.000 0.475 442 G N -0.143 108.591 108.800 -0.110 0.000 2.162 442 G HA2 -0.234 3.041 3.960 -1.142 0.000 0.260 442 G HA3 -0.234 3.041 3.960 -1.142 0.000 0.260 442 G C 0.504 175.317 174.900 -0.145 0.000 0.976 442 G CA 0.110 45.162 45.100 -0.079 0.000 0.655 442 G HN 0.575 nan 8.290 nan 0.000 0.533 443 G N -0.296 108.327 108.800 -0.296 0.000 2.406 443 G HA2 0.531 3.806 3.960 -1.142 0.000 0.251 443 G HA3 0.531 3.806 3.960 -1.142 0.000 0.251 443 G C -0.009 174.665 174.900 -0.377 0.000 1.271 443 G CA -0.250 44.448 45.100 -0.671 0.000 0.859 443 G HN 0.674 nan 8.290 nan 0.000 0.540 444 I N 1.167 121.526 120.570 -0.353 0.000 2.404 444 I HA 0.267 3.751 4.170 -1.142 0.000 0.293 444 I C 0.069 176.209 176.117 0.038 0.000 0.992 444 I CA -0.446 60.879 61.300 0.040 0.000 1.149 444 I CB 2.199 40.366 38.000 0.278 0.000 1.315 444 I HN 0.295 nan 8.210 nan 0.000 0.446 445 S N 6.483 122.199 115.700 0.026 0.000 2.475 445 S HA 0.619 4.403 4.470 -1.142 0.000 0.298 445 S C -0.270 174.329 174.600 -0.001 0.000 1.119 445 S CA -0.582 57.609 58.200 -0.016 0.000 1.085 445 S CB 1.294 64.448 63.200 -0.077 0.000 1.028 445 S HN 0.335 nan 8.310 nan 0.000 0.489 446 I N 3.174 123.722 120.570 -0.036 0.000 2.336 446 I HA 0.375 3.859 4.170 -1.142 0.000 0.292 446 I C 0.470 176.471 176.117 -0.194 0.000 0.991 446 I CA -0.354 60.838 61.300 -0.180 0.000 1.227 446 I CB 1.460 39.399 38.000 -0.102 0.000 1.366 446 I HN 0.618 nan 8.210 nan 0.000 0.466 447 T N 3.904 118.294 114.554 -0.274 0.000 2.887 447 T HA 0.669 4.334 4.350 -1.142 0.000 0.288 447 T C -0.409 174.166 174.700 -0.208 0.000 1.021 447 T CA -0.931 61.041 62.100 -0.214 0.000 1.000 447 T CB 2.098 70.849 68.868 -0.196 0.000 1.034 447 T HN 0.567 nan 8.240 nan 0.000 0.467 448 R N 1.240 121.646 120.500 -0.158 0.000 2.807 448 R HA 0.468 4.123 4.340 -1.142 0.000 0.276 448 R C -0.606 175.638 176.300 -0.094 0.000 0.979 448 R CA -0.849 55.176 56.100 -0.125 0.000 0.928 448 R CB 1.181 31.421 30.300 -0.100 0.000 1.191 448 R HN 0.849 nan 8.270 nan 0.000 0.471 449 D N 0.965 121.326 120.400 -0.065 0.000 2.882 449 D HA -0.178 3.776 4.640 -1.142 0.000 0.229 449 D C -0.241 176.056 176.300 -0.006 0.000 1.167 449 D CA 1.068 55.051 54.000 -0.028 0.000 0.759 449 D CB -0.524 40.270 40.800 -0.010 0.000 1.088 449 D HN 0.344 nan 8.370 nan 0.000 0.425 450 I N 0.793 121.345 120.570 -0.031 0.000 2.276 450 I HA 0.161 3.646 4.170 -1.142 0.000 0.290 450 I C 2.007 178.122 176.117 -0.003 0.000 1.109 450 I CA 0.164 61.461 61.300 -0.005 0.000 1.229 450 I CB 0.573 38.548 38.000 -0.041 0.000 1.452 450 I HN -0.076 nan 8.210 nan 0.000 0.497 451 G N 4.651 113.460 108.800 0.014 0.000 2.471 451 G HA2 -0.045 3.229 3.960 -1.142 0.000 0.219 451 G HA3 -0.045 3.229 3.960 -1.142 0.000 0.219 451 G C 0.565 175.470 174.900 0.008 0.000 1.125 451 G CA 0.277 45.381 45.100 0.007 0.000 0.775 451 G HN 0.536 nan 8.290 nan 0.000 0.548 452 S N -0.328 115.386 115.700 0.023 0.000 2.541 452 S HA 0.660 4.445 4.470 -1.142 0.000 0.280 452 S C -1.166 173.454 174.600 0.034 0.000 1.112 452 S CA -0.650 57.566 58.200 0.028 0.000 0.925 452 S CB 2.349 65.570 63.200 0.034 0.000 1.067 452 S HN 0.009 nan 8.310 nan 0.000 0.479 453 I N 2.367 122.955 120.570 0.029 0.000 2.465 453 I HA 0.497 3.982 4.170 -1.142 0.000 0.291 453 I C -0.671 175.509 176.117 0.106 0.000 1.014 453 I CA -0.823 60.478 61.300 0.002 0.000 1.093 453 I CB 1.603 39.505 38.000 -0.163 0.000 1.267 453 I HN 0.334 nan 8.210 nan 0.000 0.431 454 V N 4.976 124.943 119.914 0.087 0.000 2.417 454 V HA 0.571 4.006 4.120 -1.142 0.000 0.291 454 V C 0.314 176.471 176.094 0.105 0.000 1.024 454 V CA -0.454 61.926 62.300 0.135 0.000 0.861 454 V CB 1.879 33.765 31.823 0.104 0.000 0.985 454 V HN 0.937 nan 8.190 nan 0.000 0.436 455 T N 1.324 115.987 114.554 0.182 0.000 2.932 455 T HA 0.618 4.283 4.350 -1.142 0.000 0.289 455 T C -0.573 174.197 174.700 0.116 0.000 1.039 455 T CA -0.952 61.235 62.100 0.145 0.000 1.024 455 T CB 2.113 71.097 68.868 0.193 0.000 1.090 455 T HN 0.499 nan 8.240 nan 0.000 0.496 456 K N 1.634 122.083 120.400 0.081 0.000 2.357 456 K HA 0.227 3.862 4.320 -1.142 0.000 0.251 456 K C -0.505 176.096 176.600 0.001 0.000 1.069 456 K CA -0.483 55.830 56.287 0.044 0.000 0.994 456 K CB 0.308 32.830 32.500 0.036 0.000 1.411 456 K HN 0.466 nan 8.250 nan 0.000 0.450 457 E N 4.065 124.243 120.200 -0.036 0.000 2.180 457 E HA 0.056 3.721 4.350 -1.142 0.000 0.283 457 E C -1.960 174.582 176.600 -0.097 0.000 1.061 457 E CA -2.592 53.729 56.400 -0.132 0.000 0.861 457 E CB 0.974 30.510 29.700 -0.273 0.000 1.056 457 E HN 0.397 nan 8.360 nan 0.000 0.407 458 P HA -0.205 nan 4.420 nan 0.000 0.217 458 P C 0.870 178.110 177.300 -0.100 0.000 1.148 458 P CA 1.638 64.670 63.100 -0.114 0.000 0.834 458 P CB 0.465 32.071 31.700 -0.157 0.000 0.783 459 G N -2.069 106.662 108.800 -0.116 0.000 2.606 459 G HA2 0.071 3.345 3.960 -1.142 0.000 0.213 459 G HA3 0.071 3.345 3.960 -1.142 0.000 0.213 459 G C 0.765 175.436 174.900 -0.382 0.000 2.020 459 G CA -0.048 44.943 45.100 -0.181 0.000 0.814 459 G HN 0.019 nan 8.290 nan 0.000 0.685 460 F N 0.241 120.133 119.950 -0.097 0.000 2.098 460 F HA 0.239 4.081 4.527 -1.142 0.000 0.294 460 F C 2.450 178.152 175.800 -0.164 0.000 1.107 460 F CA 0.431 58.399 58.000 -0.054 0.000 1.234 460 F CB -0.559 38.464 39.000 0.038 0.000 1.002 460 F HN -0.000 nan 8.300 nan 0.000 0.472 461 L N -2.398 118.593 121.223 -0.387 0.000 2.131 461 L HA 0.002 3.657 4.340 -1.142 0.000 0.206 461 L C 0.298 177.350 176.870 0.304 0.000 1.087 461 L CA 1.821 56.502 54.840 -0.265 0.000 0.767 461 L CB 0.210 41.722 42.059 -0.911 0.000 0.917 461 L HN 0.304 nan 8.230 nan 0.000 0.441 462 W N -2.513 118.938 121.300 0.252 0.000 2.882 462 W HA 0.379 4.354 4.660 -1.142 0.000 0.435 462 W C 0.199 176.750 176.519 0.053 0.000 0.998 462 W CA -0.407 57.023 57.345 0.142 0.000 1.293 462 W CB 0.130 29.668 29.460 0.130 0.000 1.425 462 W HN 0.092 nan 8.180 nan 0.000 0.633 463 G N 0.190 109.080 108.800 0.149 0.000 2.582 463 G HA2 -0.199 3.076 3.960 -1.142 0.000 0.222 463 G HA3 -0.199 3.076 3.960 -1.142 0.000 0.222 463 G C -0.885 173.862 174.900 -0.255 0.000 1.311 463 G CA -0.149 44.885 45.100 -0.110 0.000 0.915 463 G HN 0.537 nan 8.290 nan 0.000 0.528 464 L N -0.425 120.315 121.223 -0.805 0.000 2.609 464 L HA 0.455 4.110 4.340 -1.142 0.000 0.230 464 L C 0.685 177.324 176.870 -0.384 0.000 1.064 464 L CA 0.653 55.037 54.840 -0.759 0.000 0.873 464 L CB 0.069 41.458 42.059 -1.116 0.000 1.139 464 L HN 0.399 nan 8.230 nan 0.000 0.490 465 F N 0.566 120.738 119.950 0.370 0.000 2.334 465 F HA 0.506 4.348 4.527 -1.142 0.000 0.367 465 F C 0.471 176.508 175.800 0.395 0.000 1.115 465 F CA -0.936 57.291 58.000 0.378 0.000 1.116 465 F CB 0.002 39.178 39.000 0.294 0.000 1.230 465 F HN -0.227 nan 8.300 nan 0.000 0.484 466 K N 1.539 122.143 120.400 0.341 0.000 2.132 466 K HA 0.261 3.895 4.320 -1.142 0.000 0.241 466 K C 0.301 177.017 176.600 0.194 0.000 1.000 466 K CA -0.800 55.614 56.287 0.212 0.000 0.911 466 K CB 1.559 34.158 32.500 0.166 0.000 1.093 466 K HN 0.507 nan 8.250 nan 0.000 0.460 467 D N 0.067 120.546 120.400 0.131 0.000 2.840 467 D HA -0.010 3.945 4.640 -1.142 0.000 0.277 467 D C -0.546 175.802 176.300 0.079 0.000 1.066 467 D CA 0.718 54.769 54.000 0.085 0.000 0.979 467 D CB 0.479 41.317 40.800 0.064 0.000 1.157 467 D HN 0.433 nan 8.370 nan 0.000 0.466 468 D N 1.051 121.503 120.400 0.087 0.000 2.348 468 D HA 0.174 4.128 4.640 -1.142 0.000 0.253 468 D C -0.120 176.248 176.300 0.114 0.000 1.161 468 D CA 0.023 54.079 54.000 0.093 0.000 0.876 468 D CB 2.254 43.102 40.800 0.080 0.000 1.160 468 D HN -0.145 nan 8.370 nan 0.000 0.459 469 V N 1.600 121.592 119.914 0.129 0.000 2.735 469 V HA 0.574 4.009 4.120 -1.142 0.000 0.310 469 V C -0.697 175.419 176.094 0.037 0.000 1.061 469 V CA -0.376 61.976 62.300 0.086 0.000 0.913 469 V CB 2.312 34.263 31.823 0.213 0.000 1.005 469 V HN 0.486 nan 8.190 nan 0.000 0.428 470 T N 5.666 120.166 114.554 -0.091 0.000 2.758 470 T HA 0.588 4.253 4.350 -1.142 0.000 0.285 470 T C -1.040 173.564 174.700 -0.160 0.000 0.981 470 T CA -0.003 62.077 62.100 -0.034 0.000 0.965 470 T CB 0.322 69.167 68.868 -0.038 0.000 0.927 470 T HN 0.867 nan 8.240 nan 0.000 0.448 471 H N 0.701 119.729 119.070 -0.069 0.000 2.459 471 H HA 0.543 4.414 4.556 -1.142 0.000 0.332 471 H C 0.175 175.438 175.328 -0.108 0.000 1.094 471 H CA -0.406 55.580 56.048 -0.105 0.000 1.224 471 H CB 1.213 30.901 29.762 -0.124 0.000 1.449 471 H HN 0.476 nan 8.280 nan 0.000 0.484 472 S N 1.994 117.687 115.700 -0.011 0.000 2.545 472 S HA 0.232 4.017 4.470 -1.142 0.000 0.275 472 S C -0.154 174.426 174.600 -0.034 0.000 1.299 472 S CA -0.779 57.404 58.200 -0.029 0.000 1.048 472 S CB 0.245 63.413 63.200 -0.054 0.000 0.938 472 S HN 0.414 nan 8.310 nan 0.000 0.496 473 V N 6.259 126.159 119.914 -0.023 0.000 2.356 473 V HA 0.337 3.772 4.120 -1.142 0.000 0.258 473 V C 0.784 176.886 176.094 0.012 0.000 1.065 473 V CA -0.269 62.028 62.300 -0.005 0.000 0.935 473 V CB 0.156 31.979 31.823 0.001 0.000 1.061 473 V HN 1.024 nan 8.190 nan 0.000 0.484 474 T N 1.909 116.469 114.554 0.010 0.000 2.940 474 T HA 0.663 4.328 4.350 -1.142 0.000 0.288 474 T C 1.242 175.994 174.700 0.086 0.000 1.045 474 T CA -0.063 62.044 62.100 0.012 0.000 1.018 474 T CB 2.052 70.896 68.868 -0.040 0.000 1.151 474 T HN 0.490 nan 8.240 nan 0.000 0.529 475 A N 0.939 123.804 122.820 0.075 0.000 2.076 475 A HA 0.000 3.635 4.320 -1.142 0.000 0.220 475 A C 2.244 179.925 177.584 0.161 0.000 1.160 475 A CA 1.978 54.091 52.037 0.127 0.000 0.653 475 A CB -1.169 17.867 19.000 0.060 0.000 0.801 475 A HN 1.261 nan 8.150 nan 0.000 0.455 476 S N -2.831 112.872 115.700 0.006 0.000 2.539 476 S HA 0.520 4.305 4.470 -1.142 0.000 0.221 476 S C 0.769 175.128 174.600 -0.402 0.000 0.987 476 S CA 0.646 58.786 58.200 -0.099 0.000 0.929 476 S CB 0.059 63.216 63.200 -0.071 0.000 0.832 476 S HN 1.809 nan 8.310 nan 0.000 0.492 477 G N 0.898 109.292 108.800 -0.676 0.000 2.357 477 G HA2 0.178 3.453 3.960 -1.142 0.000 0.289 477 G HA3 0.178 3.453 3.960 -1.142 0.000 0.289 477 G C -1.685 172.890 174.900 -0.542 0.000 1.302 477 G CA -1.068 43.376 45.100 -1.093 0.000 0.936 477 G HN 0.314 nan 8.290 nan 0.000 0.513 478 L N 0.880 121.843 121.223 -0.433 0.000 2.342 478 L HA 0.375 4.030 4.340 -1.142 0.000 0.285 478 L C 0.531 177.340 176.870 -0.101 0.000 1.095 478 L CA -0.157 54.544 54.840 -0.232 0.000 0.843 478 L CB 0.622 42.470 42.059 -0.351 0.000 1.201 478 L HN 0.321 nan 8.230 nan 0.000 0.445 479 K N 3.126 123.468 120.400 -0.097 0.000 2.250 479 K HA 0.276 3.910 4.320 -1.142 0.000 0.280 479 K C -0.480 176.021 176.600 -0.165 0.000 1.098 479 K CA -0.414 55.802 56.287 -0.118 0.000 0.916 479 K CB 1.279 33.710 32.500 -0.115 0.000 1.209 479 K HN 0.352 nan 8.250 nan 0.000 0.461 480 V N 3.727 123.488 119.914 -0.256 0.000 2.223 480 V HA 0.125 3.560 4.120 -1.142 0.000 0.249 480 V C 1.337 177.194 176.094 -0.396 0.000 1.233 480 V CA 0.308 62.338 62.300 -0.451 0.000 1.131 480 V CB -0.626 30.797 31.823 -0.667 0.000 1.298 480 V HN 1.163 nan 8.190 nan 0.000 0.498 481 G N 4.129 112.755 108.800 -0.290 0.000 3.581 481 G HA2 -0.416 2.859 3.960 -1.142 0.000 0.336 481 G HA3 -0.416 2.859 3.960 -1.142 0.000 0.336 481 G C 1.344 176.165 174.900 -0.131 0.000 1.259 481 G CA 1.118 46.107 45.100 -0.185 0.000 1.001 481 G HN 0.686 nan 8.290 nan 0.000 0.662 482 S N 1.013 116.646 115.700 -0.111 0.000 2.452 482 S HA 0.150 3.935 4.470 -1.142 0.000 0.225 482 S C 0.930 175.464 174.600 -0.110 0.000 1.057 482 S CA 0.875 59.021 58.200 -0.089 0.000 0.949 482 S CB -0.292 62.873 63.200 -0.058 0.000 0.836 482 S HN 0.676 nan 8.310 nan 0.000 0.518 483 N N 1.950 120.558 118.700 -0.154 0.000 2.518 483 N HA 0.212 4.267 4.740 -1.142 0.000 0.266 483 N C -0.741 174.683 175.510 -0.142 0.000 1.196 483 N CA 0.001 52.954 53.050 -0.161 0.000 0.947 483 N CB 0.890 39.224 38.487 -0.255 0.000 1.098 483 N HN 0.032 nan 8.380 nan 0.000 0.450 484 V N 1.114 120.968 119.914 -0.100 0.000 2.472 484 V HA 0.284 3.719 4.120 -1.142 0.000 0.290 484 V C 0.498 176.560 176.094 -0.052 0.000 1.037 484 V CA -0.637 61.602 62.300 -0.101 0.000 0.908 484 V CB 1.527 33.279 31.823 -0.118 0.000 0.985 484 V HN 0.592 nan 8.190 nan 0.000 0.454 485 T N 5.036 119.565 114.554 -0.042 0.000 2.811 485 T HA 0.260 3.925 4.350 -1.142 0.000 0.309 485 T C 0.080 174.717 174.700 -0.105 0.000 1.005 485 T CA -0.118 61.990 62.100 0.013 0.000 0.955 485 T CB 0.194 69.118 68.868 0.094 0.000 0.970 485 T HN 0.693 nan 8.240 nan 0.000 0.496 486 Q N 2.040 121.804 119.800 -0.060 0.000 2.395 486 Q HA 0.122 3.777 4.340 -1.142 0.000 0.271 486 Q C -0.473 175.525 176.000 -0.004 0.000 1.026 486 Q CA -0.177 55.563 55.803 -0.107 0.000 0.900 486 Q CB 0.440 29.168 28.738 -0.017 0.000 1.266 486 Q HN 0.524 nan 8.270 nan 0.000 0.430 487 Y N 1.409 121.737 120.300 0.047 0.000 2.511 487 Y HA -0.057 3.807 4.550 -1.142 0.000 0.332 487 Y C 0.366 176.296 175.900 0.051 0.000 1.177 487 Y CA -0.416 57.710 58.100 0.044 0.000 1.422 487 Y CB 0.018 38.484 38.460 0.010 0.000 1.271 487 Y HN 0.568 nan 8.280 nan 0.000 0.550 488 D N 1.399 121.931 120.400 0.218 0.000 2.563 488 D HA 0.145 4.099 4.640 -1.142 0.000 0.229 488 D C -0.101 176.309 176.300 0.183 0.000 1.159 488 D CA 0.536 54.644 54.000 0.181 0.000 0.869 488 D CB 0.528 41.448 40.800 0.200 0.000 1.203 488 D HN 0.708 nan 8.370 nan 0.000 0.478 489 A N 2.240 125.168 122.820 0.181 0.000 2.580 489 A HA 0.386 4.021 4.320 -1.142 0.000 0.244 489 A C 0.431 178.128 177.584 0.187 0.000 1.045 489 A CA 0.474 52.611 52.037 0.166 0.000 0.761 489 A CB -0.210 18.872 19.000 0.137 0.000 0.962 489 A HN 0.522 nan 8.150 nan 0.000 0.512 490 S N 0.965 116.762 115.700 0.163 0.000 2.651 490 S HA 0.747 4.532 4.470 -1.142 0.000 0.279 490 S C -0.971 173.682 174.600 0.088 0.000 1.148 490 S CA -0.593 57.673 58.200 0.109 0.000 0.837 490 S CB 1.607 64.922 63.200 0.192 0.000 1.138 490 S HN 1.117 nan 8.310 nan 0.000 0.478 491 V N 1.623 121.534 119.914 -0.004 0.000 2.487 491 V HA 0.547 3.982 4.120 -1.142 0.000 0.298 491 V C -0.656 175.493 176.094 0.092 0.000 1.028 491 V CA -0.729 61.582 62.300 0.018 0.000 0.860 491 V CB 1.410 33.178 31.823 -0.093 0.000 0.991 491 V HN 0.911 nan 8.190 nan 0.000 0.427 492 K N 3.022 123.512 120.400 0.150 0.000 2.221 492 K HA 0.716 4.351 4.320 -1.142 0.000 0.258 492 K C 0.504 177.177 176.600 0.121 0.000 0.944 492 K CA -0.500 55.905 56.287 0.197 0.000 0.823 492 K CB 2.509 35.116 32.500 0.178 0.000 1.113 492 K HN 0.787 nan 8.250 nan 0.000 0.431 493 G N 0.940 109.816 108.800 0.127 0.000 2.714 493 G HA2 0.396 3.671 3.960 -1.142 0.000 0.197 493 G HA3 0.396 3.671 3.960 -1.142 0.000 0.197 493 G C -0.209 174.740 174.900 0.081 0.000 1.449 493 G CA -0.152 45.004 45.100 0.093 0.000 1.065 493 G HN 0.627 nan 8.290 nan 0.000 0.575 494 T N -3.953 110.646 114.554 0.074 0.000 2.804 494 T HA 0.330 3.995 4.350 -1.142 0.000 0.290 494 T C 0.314 175.052 174.700 0.064 0.000 1.099 494 T CA -0.661 61.475 62.100 0.061 0.000 1.011 494 T CB 1.495 70.395 68.868 0.053 0.000 1.291 494 T HN 0.284 nan 8.240 nan 0.000 0.523 495 N N -0.463 118.270 118.700 0.054 0.000 2.449 495 N HA 0.287 4.342 4.740 -1.142 0.000 0.191 495 N C 0.889 176.432 175.510 0.056 0.000 1.161 495 N CA -0.147 52.937 53.050 0.056 0.000 0.863 495 N CB 0.151 38.666 38.487 0.047 0.000 0.980 495 N HN 0.753 nan 8.380 nan 0.000 0.458 496 G N -0.176 108.657 108.800 0.055 0.000 2.568 496 G HA2 0.597 3.872 3.960 -1.142 0.000 0.293 496 G HA3 0.597 3.872 3.960 -1.142 0.000 0.293 496 G C -0.654 174.285 174.900 0.065 0.000 1.347 496 G CA -0.647 44.486 45.100 0.054 0.000 1.039 496 G HN 0.157 nan 8.290 nan 0.000 0.523 497 A N 0.582 123.440 122.820 0.063 0.000 2.438 497 A HA 0.483 4.118 4.320 -1.142 0.000 0.280 497 A C -0.348 177.283 177.584 0.079 0.000 1.160 497 A CA -0.207 51.874 52.037 0.073 0.000 0.821 497 A CB -0.159 18.878 19.000 0.063 0.000 1.101 497 A HN 0.502 nan 8.150 nan 0.000 0.515 498 D N 1.664 122.119 120.400 0.092 0.000 2.340 498 D HA 0.488 4.443 4.640 -1.142 0.000 0.240 498 D C -0.616 175.753 176.300 0.115 0.000 1.001 498 D CA -0.073 53.980 54.000 0.089 0.000 0.888 498 D CB 1.813 42.660 40.800 0.077 0.000 1.310 498 D HN 0.344 nan 8.370 nan 0.000 0.474 499 T N 1.380 115.992 114.554 0.098 0.000 2.779 499 T HA 0.530 4.195 4.350 -1.142 0.000 0.280 499 T C -0.050 174.645 174.700 -0.008 0.000 0.987 499 T CA -0.531 61.607 62.100 0.063 0.000 0.966 499 T CB 0.667 69.602 68.868 0.112 0.000 0.933 499 T HN 0.087 nan 8.240 nan 0.000 0.442 500 L N 3.241 124.428 121.223 -0.059 0.000 2.381 500 L HA 0.631 4.286 4.340 -1.142 0.000 0.268 500 L C -0.222 176.563 176.870 -0.141 0.000 0.997 500 L CA -1.041 53.752 54.840 -0.080 0.000 0.818 500 L CB 2.263 44.283 42.059 -0.065 0.000 1.310 500 L HN 0.374 nan 8.230 nan 0.000 0.416 501 K N 1.859 122.156 120.400 -0.170 0.000 2.426 501 K HA 0.684 4.319 4.320 -1.142 0.000 0.254 501 K C -0.718 175.691 176.600 -0.319 0.000 0.936 501 K CA -0.562 55.604 56.287 -0.201 0.000 0.801 501 K CB 2.650 35.056 32.500 -0.156 0.000 1.139 501 K HN 0.680 nan 8.250 nan 0.000 0.424 502 A N 2.546 125.178 122.820 -0.313 0.000 2.332 502 A HA 0.308 3.943 4.320 -1.142 0.000 0.258 502 A C -0.594 176.758 177.584 -0.387 0.000 1.087 502 A CA -0.248 51.544 52.037 -0.409 0.000 0.802 502 A CB -0.057 18.738 19.000 -0.342 0.000 1.042 502 A HN 0.761 nan 8.150 nan 0.000 0.489 503 H N 0.199 119.217 119.070 -0.087 0.000 2.505 503 H HA 0.439 4.309 4.556 -1.142 0.000 0.355 503 H C 1.370 176.658 175.328 -0.066 0.000 1.179 503 H CA 0.071 56.083 56.048 -0.060 0.000 1.343 503 H CB 1.124 30.859 29.762 -0.044 0.000 1.501 503 H HN 0.729 nan 8.280 nan 0.000 0.569 504 A N 2.123 124.990 122.820 0.078 0.000 2.084 504 A HA -0.169 3.466 4.320 -1.142 0.000 0.221 504 A C 2.379 179.966 177.584 0.005 0.000 1.161 504 A CA 1.779 53.828 52.037 0.021 0.000 0.653 504 A CB -1.147 17.865 19.000 0.019 0.000 0.802 504 A HN 0.897 nan 8.150 nan 0.000 0.457 505 G N -1.420 107.395 108.800 0.026 0.000 2.744 505 G HA2 0.424 3.699 3.960 -1.142 0.000 0.211 505 G HA3 0.424 3.699 3.960 -1.142 0.000 0.211 505 G C 0.870 175.758 174.900 -0.021 0.000 1.143 505 G CA 0.608 45.711 45.100 0.005 0.000 0.788 505 G HN 1.714 nan 8.290 nan 0.000 0.534 506 G N -0.479 108.291 108.800 -0.049 0.000 3.055 506 G HA2 0.052 3.327 3.960 -1.142 0.000 0.686 506 G HA3 0.052 3.327 3.960 -1.142 0.000 0.686 506 G C -1.397 173.435 174.900 -0.113 0.000 1.087 506 G CA -0.416 44.609 45.100 -0.125 0.000 0.779 506 G HN 0.204 nan 8.290 nan 0.000 0.599 507 D N 0.355 120.608 120.400 -0.244 0.000 2.645 507 D HA 0.451 4.406 4.640 -1.142 0.000 0.228 507 D C -0.457 175.594 176.300 -0.415 0.000 1.148 507 D CA -0.371 53.504 54.000 -0.208 0.000 0.860 507 D CB 1.184 41.865 40.800 -0.197 0.000 1.548 507 D HN 0.379 nan 8.370 nan 0.000 0.460 508 W N 1.773 122.796 121.300 -0.462 0.000 2.419 508 W HA 0.307 4.282 4.660 -1.142 0.000 0.312 508 W C 0.145 176.092 176.519 -0.953 0.000 1.323 508 W CA -0.300 56.581 57.345 -0.774 0.000 1.293 508 W CB 0.172 29.160 29.460 -0.788 0.000 1.324 508 W HN 0.022 nan 8.180 nan 0.000 0.512 509 L N 5.256 125.980 121.223 -0.831 0.000 2.265 509 L HA 0.417 4.072 4.340 -1.142 0.000 0.289 509 L C -0.818 175.718 176.870 -0.556 0.000 1.033 509 L CA -0.821 53.644 54.840 -0.626 0.000 0.814 509 L CB 0.234 41.972 42.059 -0.535 0.000 1.203 509 L HN 0.181 nan 8.230 nan 0.000 0.423 510 F N 1.527 121.451 119.950 -0.044 0.000 2.311 510 F HA 0.346 4.188 4.527 -1.142 0.000 0.371 510 F C 1.336 177.150 175.800 0.024 0.000 1.083 510 F CA -0.873 57.125 58.000 -0.003 0.000 1.113 510 F CB 1.210 40.217 39.000 0.012 0.000 1.349 510 F HN 0.532 nan 8.300 nan 0.000 0.470 511 G N 2.691 111.602 108.800 0.184 0.000 2.422 511 G HA2 0.007 3.282 3.960 -1.142 0.000 0.218 511 G HA3 0.007 3.282 3.960 -1.142 0.000 0.218 511 G C 0.938 175.930 174.900 0.153 0.000 1.140 511 G CA 0.513 45.704 45.100 0.151 0.000 0.775 511 G HN 0.640 nan 8.290 nan 0.000 0.545 512 L N -1.099 120.228 121.223 0.174 0.000 7.382 512 L HA -0.234 3.421 4.340 -1.142 0.000 0.055 512 L C 0.083 177.027 176.870 0.124 0.000 1.434 512 L CA 1.116 56.038 54.840 0.138 0.000 1.563 512 L CB -1.228 40.893 42.059 0.104 0.000 2.813 512 L HN 0.100 nan 8.230 nan 0.000 1.135 513 D N 0.359 120.819 120.400 0.099 0.000 2.414 513 D HA 0.506 4.461 4.640 -1.142 0.000 0.251 513 D C 0.529 176.883 176.300 0.090 0.000 1.252 513 D CA 1.075 55.131 54.000 0.093 0.000 0.999 513 D CB 0.562 41.406 40.800 0.074 0.000 1.093 513 D HN 1.042 nan 8.370 nan 0.000 0.515 514 G N 0.150 109.000 108.800 0.083 0.000 2.758 514 G HA2 -0.204 3.071 3.960 -1.142 0.000 0.686 514 G HA3 -0.204 3.071 3.960 -1.142 0.000 0.686 514 G C -0.649 174.307 174.900 0.094 0.000 1.389 514 G CA -0.830 44.318 45.100 0.080 0.000 0.845 514 G HN 0.454 nan 8.290 nan 0.000 0.572 515 N N 2.143 120.894 118.700 0.085 0.000 2.521 515 N HA 0.335 4.390 4.740 -1.142 0.000 0.236 515 N C -0.275 175.298 175.510 0.104 0.000 1.067 515 N CA -0.165 52.940 53.050 0.091 0.000 0.939 515 N CB 0.691 39.219 38.487 0.068 0.000 1.201 515 N HN 0.513 nan 8.380 nan 0.000 0.511 516 D N -0.199 120.279 120.400 0.130 0.000 2.387 516 D HA 0.106 4.060 4.640 -1.142 0.000 0.255 516 D C -0.126 176.299 176.300 0.208 0.000 1.081 516 D CA -0.070 54.023 54.000 0.154 0.000 0.994 516 D CB 1.551 42.439 40.800 0.146 0.000 1.127 516 D HN 0.454 nan 8.370 nan 0.000 0.513 517 H N 0.734 119.854 119.070 0.083 0.000 2.953 517 H HA 0.295 4.166 4.556 -1.142 0.000 0.290 517 H C -1.290 174.093 175.328 0.091 0.000 1.113 517 H CA -0.786 55.310 56.048 0.080 0.000 1.454 517 H CB 0.327 30.125 29.762 0.060 0.000 1.525 517 H HN -0.038 nan 8.280 nan 0.000 0.505 518 L N 7.136 128.436 121.223 0.129 0.000 2.277 518 L HA 0.323 3.977 4.340 -1.142 0.000 0.284 518 L C -0.182 176.771 176.870 0.138 0.000 1.028 518 L CA -0.172 54.740 54.840 0.119 0.000 0.835 518 L CB 0.954 43.195 42.059 0.304 0.000 1.215 518 L HN 0.605 nan 8.230 nan 0.000 0.425 519 I N 3.247 123.798 120.570 -0.032 0.000 2.347 519 I HA 0.369 3.854 4.170 -1.142 0.000 0.283 519 I C 1.069 177.196 176.117 0.017 0.000 1.058 519 I CA -0.276 61.006 61.300 -0.031 0.000 1.202 519 I CB 1.007 38.903 38.000 -0.173 0.000 1.386 519 I HN 0.657 nan 8.210 nan 0.000 0.475 520 G N 3.717 112.629 108.800 0.186 0.000 2.616 520 G HA2 0.580 3.855 3.960 -1.142 0.000 0.268 520 G HA3 0.580 3.855 3.960 -1.142 0.000 0.268 520 G C 0.176 175.082 174.900 0.010 0.000 1.213 520 G CA -0.107 45.029 45.100 0.060 0.000 0.926 520 G HN 0.633 nan 8.290 nan 0.000 0.523 521 G N -2.301 106.469 108.800 -0.050 0.000 3.119 521 G HA2 0.473 3.748 3.960 -1.142 0.000 0.206 521 G HA3 0.473 3.748 3.960 -1.142 0.000 0.206 521 G C 0.998 175.883 174.900 -0.024 0.000 1.313 521 G CA 0.414 45.492 45.100 -0.036 0.000 1.010 521 G HN 1.209 nan 8.290 nan 0.000 0.578 522 V N -1.552 118.348 119.914 -0.024 0.000 3.306 522 V HA 0.359 3.794 4.120 -1.142 0.000 0.264 522 V C 1.271 177.344 176.094 -0.036 0.000 1.149 522 V CA 0.909 63.197 62.300 -0.020 0.000 1.143 522 V CB -0.915 30.899 31.823 -0.014 0.000 0.767 522 V HN 0.721 nan 8.190 nan 0.000 0.476 523 G N 0.373 109.140 108.800 -0.054 0.000 2.543 523 G HA2 0.335 3.610 3.960 -1.142 0.000 0.290 523 G HA3 0.335 3.610 3.960 -1.142 0.000 0.290 523 G C -0.566 174.268 174.900 -0.111 0.000 1.310 523 G CA -0.835 44.221 45.100 -0.074 0.000 1.025 523 G HN 0.323 nan 8.290 nan 0.000 0.502 524 N N 1.564 120.182 118.700 -0.136 0.000 2.521 524 N HA 0.234 4.289 4.740 -1.142 0.000 0.236 524 N C -0.800 174.533 175.510 -0.294 0.000 1.067 524 N CA -0.081 52.861 53.050 -0.182 0.000 0.939 524 N CB 0.950 39.345 38.487 -0.153 0.000 1.201 524 N HN 0.362 nan 8.380 nan 0.000 0.511 525 D N 0.308 120.477 120.400 -0.384 0.000 2.268 525 D HA 0.344 4.299 4.640 -1.142 0.000 0.249 525 D C -0.081 175.727 176.300 -0.819 0.000 1.008 525 D CA -0.427 53.180 54.000 -0.654 0.000 0.939 525 D CB 2.343 42.623 40.800 -0.866 0.000 1.170 525 D HN -0.021 nan 8.370 nan 0.000 0.468 526 V N 1.864 121.128 119.914 -1.082 0.000 2.350 526 V HA 0.256 3.691 4.120 -1.142 0.000 0.285 526 V C -0.622 174.857 176.094 -1.025 0.000 1.014 526 V CA -0.707 60.929 62.300 -1.108 0.000 0.831 526 V CB 0.492 31.295 31.823 -1.699 0.000 1.000 526 V HN 0.335 nan 8.190 nan 0.000 0.433 527 F N 4.135 123.632 119.950 -0.755 0.000 2.404 527 F HA 0.522 4.363 4.527 -1.142 0.000 0.358 527 F C 0.262 175.795 175.800 -0.445 0.000 1.120 527 F CA -0.598 57.068 58.000 -0.557 0.000 1.144 527 F CB 1.487 40.151 39.000 -0.560 0.000 1.133 527 F HN 0.198 nan 8.300 nan 0.000 0.495 528 V N 3.509 123.327 119.914 -0.159 0.000 2.327 528 V HA 0.268 3.703 4.120 -1.142 0.000 0.272 528 V C 0.840 176.980 176.094 0.077 0.000 1.019 528 V CA -0.544 61.727 62.300 -0.049 0.000 0.814 528 V CB 0.876 32.763 31.823 0.107 0.000 1.040 528 V HN 1.010 nan 8.190 nan 0.000 0.440 529 G N 2.349 111.201 108.800 0.088 0.000 2.484 529 G HA2 0.364 3.639 3.960 -1.142 0.000 0.218 529 G HA3 0.364 3.639 3.960 -1.142 0.000 0.218 529 G C 0.951 175.967 174.900 0.194 0.000 1.130 529 G CA 0.840 46.041 45.100 0.169 0.000 0.784 529 G HN 1.375 nan 8.290 nan 0.000 0.543 530 G N -0.432 108.492 108.800 0.207 0.000 2.645 530 G HA2 0.244 3.519 3.960 -1.142 0.000 0.239 530 G HA3 0.244 3.519 3.960 -1.142 0.000 0.239 530 G C 0.508 175.546 174.900 0.230 0.000 1.331 530 G CA 0.005 45.234 45.100 0.216 0.000 0.890 530 G HN 1.453 nan 8.290 nan 0.000 0.572 531 A N -0.453 122.478 122.820 0.186 0.000 2.536 531 A HA 0.725 4.359 4.320 -1.142 0.000 0.234 531 A C 1.843 179.518 177.584 0.152 0.000 1.076 531 A CA 2.352 54.485 52.037 0.160 0.000 0.769 531 A CB -0.392 18.679 19.000 0.118 0.000 1.020 531 A HN 3.019 nan 8.150 nan 0.000 0.508 532 G N 0.656 109.535 108.800 0.132 0.000 2.663 532 G HA2 -0.042 3.232 3.960 -1.142 0.000 0.686 532 G HA3 -0.042 3.232 3.960 -1.142 0.000 0.686 532 G C -0.822 174.162 174.900 0.140 0.000 1.288 532 G CA -0.379 44.791 45.100 0.117 0.000 0.836 532 G HN 1.052 nan 8.290 nan 0.000 0.584 533 N N 1.985 120.754 118.700 0.116 0.000 2.527 533 N HA 0.383 4.438 4.740 -1.142 0.000 0.236 533 N C -0.972 174.615 175.510 0.127 0.000 0.999 533 N CA -0.255 52.866 53.050 0.119 0.000 0.935 533 N CB 1.069 39.603 38.487 0.079 0.000 1.132 533 N HN 0.510 nan 8.380 nan 0.000 0.511 534 D N 1.295 121.795 120.400 0.166 0.000 2.192 534 D HA 0.197 4.152 4.640 -1.142 0.000 0.246 534 D C -0.193 176.203 176.300 0.160 0.000 1.042 534 D CA -0.501 53.603 54.000 0.172 0.000 0.847 534 D CB 2.509 43.432 40.800 0.206 0.000 1.186 534 D HN 0.179 nan 8.370 nan 0.000 0.461 535 L N 2.666 123.983 121.223 0.157 0.000 2.262 535 L HA 0.388 4.043 4.340 -1.142 0.000 0.288 535 L C -0.952 176.031 176.870 0.187 0.000 1.035 535 L CA -0.131 54.796 54.840 0.145 0.000 0.820 535 L CB 0.584 42.717 42.059 0.123 0.000 1.204 535 L HN 0.290 nan 8.230 nan 0.000 0.424 536 M N 4.646 124.320 119.600 0.123 0.000 2.190 536 M HA 0.458 4.252 4.480 -1.142 0.000 0.312 536 M C -0.682 175.607 176.300 -0.019 0.000 0.990 536 M CA -0.371 54.980 55.300 0.086 0.000 0.927 536 M CB 1.774 34.427 32.600 0.087 0.000 1.571 536 M HN 0.497 nan 8.290 nan 0.000 0.427 537 E N 0.904 121.122 120.200 0.030 0.000 2.166 537 E HA 0.241 3.906 4.350 -1.142 0.000 0.275 537 E C 0.359 177.000 176.600 0.069 0.000 0.941 537 E CA -0.362 56.064 56.400 0.043 0.000 0.784 537 E CB 2.117 31.876 29.700 0.097 0.000 1.115 537 E HN 0.688 nan 8.360 nan 0.000 0.399 538 S N 3.091 118.852 115.700 0.100 0.000 2.368 538 S HA -0.115 3.669 4.470 -1.142 0.000 0.225 538 S C 1.711 176.430 174.600 0.199 0.000 1.030 538 S CA 1.723 60.039 58.200 0.193 0.000 0.999 538 S CB -0.488 62.831 63.200 0.199 0.000 0.844 538 S HN 0.970 nan 8.310 nan 0.000 0.459 539 G N -0.051 108.819 108.800 0.117 0.000 2.189 539 G HA2 0.040 3.315 3.960 -1.142 0.000 0.267 539 G HA3 0.040 3.315 3.960 -1.142 0.000 0.267 539 G C 1.268 176.193 174.900 0.040 0.000 0.975 539 G CA 0.541 45.684 45.100 0.071 0.000 0.644 539 G HN 1.858 nan 8.290 nan 0.000 0.537 540 G N -2.236 106.588 108.800 0.040 0.000 2.479 540 G HA2 0.581 3.855 3.960 -1.142 0.000 0.686 540 G HA3 0.581 3.855 3.960 -1.142 0.000 0.686 540 G C 0.828 175.726 174.900 -0.004 0.000 1.295 540 G CA 0.928 46.033 45.100 0.008 0.000 0.922 540 G HN 2.638 nan 8.290 nan 0.000 0.582 541 G N -1.414 107.370 108.800 -0.027 0.000 2.685 541 G HA2 0.491 3.766 3.960 -1.142 0.000 0.387 541 G HA3 0.491 3.766 3.960 -1.142 0.000 0.387 541 G C 0.230 175.094 174.900 -0.059 0.000 1.324 541 G CA 0.816 45.888 45.100 -0.047 0.000 0.878 541 G HN 2.619 nan 8.290 nan 0.000 0.527 542 A N 0.770 123.543 122.820 -0.077 0.000 2.444 542 A HA 0.631 4.266 4.320 -1.142 0.000 0.332 542 A C -0.149 177.371 177.584 -0.106 0.000 1.430 542 A CA -0.157 51.827 52.037 -0.088 0.000 0.975 542 A CB 0.242 19.191 19.000 -0.084 0.000 1.147 542 A HN 0.574 nan 8.150 nan 0.000 0.524 543 D N 1.041 121.390 120.400 -0.085 0.000 2.268 543 D HA 0.576 4.531 4.640 -1.142 0.000 0.249 543 D C -0.341 175.873 176.300 -0.144 0.000 1.008 543 D CA 0.287 54.207 54.000 -0.132 0.000 0.939 543 D CB 1.797 42.568 40.800 -0.048 0.000 1.170 543 D HN 0.331 nan 8.370 nan 0.000 0.468 544 T N 1.276 115.647 114.554 -0.304 0.000 2.812 544 T HA 0.442 4.107 4.350 -1.142 0.000 0.282 544 T C -0.577 173.883 174.700 -0.399 0.000 0.990 544 T CA -0.489 61.464 62.100 -0.246 0.000 0.960 544 T CB 0.294 68.996 68.868 -0.278 0.000 0.948 544 T HN 0.074 nan 8.240 nan 0.000 0.438 545 F N 3.099 122.952 119.950 -0.160 0.000 2.411 545 F HA 0.582 4.424 4.527 -1.142 0.000 0.352 545 F C -0.142 175.170 175.800 -0.813 0.000 1.123 545 F CA -1.129 56.622 58.000 -0.414 0.000 1.044 545 F CB 1.165 39.959 39.000 -0.343 0.000 1.135 545 F HN 0.259 nan 8.300 nan 0.000 0.461 546 L N 5.378 126.133 121.223 -0.780 0.000 2.287 546 L HA 0.621 4.276 4.340 -1.142 0.000 0.287 546 L C -1.558 174.716 176.870 -0.993 0.000 1.022 546 L CA -0.591 53.833 54.840 -0.692 0.000 0.814 546 L CB 0.264 42.153 42.059 -0.284 0.000 1.217 546 L HN 0.334 nan 8.230 nan 0.000 0.420 547 F N 4.852 124.555 119.950 -0.412 0.000 2.467 547 F HA 0.531 4.373 4.527 -1.142 0.000 0.336 547 F C 0.250 175.931 175.800 -0.198 0.000 1.123 547 F CA -0.585 57.105 58.000 -0.517 0.000 0.964 547 F CB 1.442 39.659 39.000 -1.304 0.000 1.136 547 F HN 0.548 nan 8.300 nan 0.000 0.447 548 N N 1.974 120.798 118.700 0.206 0.000 2.287 548 N HA 0.541 4.596 4.740 -1.142 0.000 0.289 548 N C 0.027 175.763 175.510 0.377 0.000 1.066 548 N CA 0.372 53.592 53.050 0.282 0.000 0.841 548 N CB 2.262 40.886 38.487 0.227 0.000 1.599 548 N HN 0.852 nan 8.380 nan 0.000 0.476 549 G N 2.073 111.085 108.800 0.354 0.000 2.562 549 G HA2 -0.209 3.066 3.960 -1.142 0.000 0.250 549 G HA3 -0.209 3.066 3.960 -1.142 0.000 0.250 549 G C -0.056 175.022 174.900 0.296 0.000 1.269 549 G CA -0.010 45.262 45.100 0.287 0.000 0.919 549 G HN 1.046 nan 8.290 nan 0.000 0.574 550 A N 0.271 123.195 122.820 0.173 0.000 3.026 550 A HA 0.556 4.191 4.320 -1.142 0.000 0.272 550 A C 1.049 178.678 177.584 0.075 0.000 1.782 550 A CA 0.946 53.016 52.037 0.054 0.000 1.451 550 A CB -1.244 17.780 19.000 0.041 0.000 1.081 550 A HN 1.737 nan 8.150 nan 0.000 0.611 551 F N 0.409 120.462 119.950 0.170 0.000 2.661 551 F HA 0.421 4.263 4.527 -1.142 0.000 0.298 551 F C 0.999 176.908 175.800 0.181 0.000 1.137 551 F CA 0.075 58.199 58.000 0.207 0.000 1.454 551 F CB -0.607 38.581 39.000 0.314 0.000 1.103 551 F HN 0.743 nan 8.300 nan 0.000 0.577 552 G N 0.831 109.523 108.800 -0.180 0.000 2.587 552 G HA2 -0.116 3.159 3.960 -1.142 0.000 0.212 552 G HA3 -0.116 3.159 3.960 -1.142 0.000 0.212 552 G C -1.141 173.745 174.900 -0.025 0.000 1.327 552 G CA -0.370 44.707 45.100 -0.039 0.000 0.898 552 G HN 0.346 nan 8.290 nan 0.000 0.551 553 Q N 1.680 121.520 119.800 0.066 0.000 2.560 553 Q HA 0.396 4.051 4.340 -1.142 0.000 0.238 553 Q C -0.682 175.397 176.000 0.132 0.000 1.079 553 Q CA -0.385 55.465 55.803 0.079 0.000 0.866 553 Q CB 0.929 29.689 28.738 0.036 0.000 1.153 553 Q HN 0.608 nan 8.270 nan 0.000 0.530 554 D N 1.196 121.719 120.400 0.204 0.000 2.340 554 D HA 0.431 4.386 4.640 -1.142 0.000 0.251 554 D C -0.049 176.306 176.300 0.092 0.000 1.080 554 D CA -0.424 53.692 54.000 0.194 0.000 0.971 554 D CB 1.518 42.514 40.800 0.327 0.000 1.137 554 D HN 0.123 nan 8.370 nan 0.000 0.475 555 R N 0.146 120.686 120.500 0.067 0.000 2.532 555 R HA 0.496 4.151 4.340 -1.142 0.000 0.297 555 R C -1.218 175.056 176.300 -0.044 0.000 0.984 555 R CA -0.706 55.394 56.100 -0.001 0.000 0.884 555 R CB 1.972 32.278 30.300 0.009 0.000 1.182 555 R HN 0.124 nan 8.270 nan 0.000 0.442 556 V N 4.253 124.074 119.914 -0.155 0.000 2.417 556 V HA 0.429 3.864 4.120 -1.142 0.000 0.291 556 V C -0.369 175.602 176.094 -0.205 0.000 1.024 556 V CA -0.737 61.378 62.300 -0.309 0.000 0.861 556 V CB 1.920 33.331 31.823 -0.686 0.000 0.985 556 V HN 0.429 nan 8.190 nan 0.000 0.436 557 V N 3.562 123.400 119.914 -0.126 0.000 2.448 557 V HA 0.795 4.230 4.120 -1.142 0.000 0.295 557 V C 0.843 176.938 176.094 0.001 0.000 1.025 557 V CA 0.441 62.718 62.300 -0.039 0.000 0.859 557 V CB 1.140 32.966 31.823 0.005 0.000 0.988 557 V HN 1.173 nan 8.190 nan 0.000 0.431 558 G N 4.175 112.993 108.800 0.030 0.000 2.130 558 G HA2 -0.249 3.026 3.960 -1.142 0.000 0.216 558 G HA3 -0.249 3.026 3.960 -1.142 0.000 0.216 558 G C -0.186 174.762 174.900 0.080 0.000 0.999 558 G CA -0.166 44.965 45.100 0.052 0.000 0.686 558 G HN 0.727 nan 8.290 nan 0.000 0.515 559 F N 3.315 123.214 119.950 -0.085 0.000 2.506 559 F HA 0.541 4.382 4.527 -1.142 0.000 0.371 559 F C 1.152 176.926 175.800 -0.043 0.000 1.078 559 F CA 0.703 58.650 58.000 -0.088 0.000 1.195 559 F CB 0.719 39.595 39.000 -0.206 0.000 1.099 559 F HN 0.355 nan 8.300 nan 0.000 0.548 560 T N 0.791 115.026 114.554 -0.531 0.000 2.905 560 T HA 0.311 3.976 4.350 -1.142 0.000 0.283 560 T C 1.045 175.416 174.700 -0.548 0.000 1.031 560 T CA -0.250 61.618 62.100 -0.387 0.000 1.002 560 T CB 1.255 70.003 68.868 -0.200 0.000 1.200 560 T HN 0.411 nan 8.240 nan 0.000 0.560 561 S N 1.668 117.198 115.700 -0.284 0.000 2.400 561 S HA -0.135 3.650 4.470 -1.142 0.000 0.232 561 S C 1.687 176.162 174.600 -0.208 0.000 1.025 561 S CA 1.442 59.519 58.200 -0.207 0.000 0.993 561 S CB -0.633 62.503 63.200 -0.107 0.000 0.808 561 S HN 0.911 nan 8.310 nan 0.000 0.478 562 N N 1.159 119.733 118.700 -0.210 0.000 2.268 562 N HA 0.056 4.110 4.740 -1.142 0.000 0.204 562 N C -0.893 174.513 175.510 -0.173 0.000 1.124 562 N CA -0.008 52.952 53.050 -0.151 0.000 0.838 562 N CB -0.077 38.346 38.487 -0.106 0.000 0.994 562 N HN 0.186 nan 8.380 nan 0.000 0.489 563 D N 0.617 120.826 120.400 -0.319 0.000 2.332 563 D HA 0.296 4.251 4.640 -1.142 0.000 0.252 563 D C -0.543 175.730 176.300 -0.045 0.000 1.050 563 D CA -0.105 53.752 54.000 -0.238 0.000 0.970 563 D CB 1.808 42.361 40.800 -0.411 0.000 1.141 563 D HN -0.003 nan 8.370 nan 0.000 0.485 564 K N 0.903 121.454 120.400 0.253 0.000 2.471 564 K HA 0.388 4.022 4.320 -1.142 0.000 0.252 564 K C -1.055 175.757 176.600 0.353 0.000 0.938 564 K CA -0.601 55.854 56.287 0.280 0.000 0.796 564 K CB 1.367 33.926 32.500 0.098 0.000 1.161 564 K HN 0.287 nan 8.250 nan 0.000 0.425 565 L N 4.444 125.791 121.223 0.207 0.000 2.260 565 L HA 0.386 4.040 4.340 -1.142 0.000 0.289 565 L C -0.424 176.320 176.870 -0.209 0.000 1.057 565 L CA -1.012 53.808 54.840 -0.034 0.000 0.811 565 L CB 1.329 43.283 42.059 -0.175 0.000 1.184 565 L HN 0.254 nan 8.230 nan 0.000 0.429 566 V N 4.417 124.126 119.914 -0.340 0.000 2.334 566 V HA 0.335 3.769 4.120 -1.142 0.000 0.281 566 V C -0.336 175.489 176.094 -0.447 0.000 1.016 566 V CA -0.328 61.741 62.300 -0.386 0.000 0.832 566 V CB 1.202 32.818 31.823 -0.345 0.000 0.999 566 V HN 0.372 nan 8.190 nan 0.000 0.439 567 F N 6.168 126.006 119.950 -0.186 0.000 2.371 567 F HA 0.657 4.498 4.527 -1.142 0.000 0.363 567 F C -0.170 175.543 175.800 -0.145 0.000 1.122 567 F CA -0.582 57.261 58.000 -0.262 0.000 1.129 567 F CB 1.450 40.074 39.000 -0.627 0.000 1.173 567 F HN 0.335 nan 8.300 nan 0.000 0.489 568 L N 3.263 124.540 121.223 0.090 0.000 2.441 568 L HA 0.739 4.393 4.340 -1.142 0.000 0.270 568 L C 0.089 177.128 176.870 0.282 0.000 0.973 568 L CA -0.255 54.688 54.840 0.171 0.000 0.842 568 L CB 1.663 43.793 42.059 0.117 0.000 1.239 568 L HN 0.711 nan 8.230 nan 0.000 0.406 569 G N 3.671 112.703 108.800 0.387 0.000 2.291 569 G HA2 -0.017 3.258 3.960 -1.142 0.000 0.271 569 G HA3 -0.017 3.258 3.960 -1.142 0.000 0.271 569 G C -0.326 174.725 174.900 0.251 0.000 1.099 569 G CA 0.241 45.537 45.100 0.327 0.000 0.919 569 G HN 1.460 nan 8.290 nan 0.000 0.496 570 V N -3.841 116.204 119.914 0.219 0.000 3.019 570 V HA 0.886 4.321 4.120 -1.142 0.000 0.317 570 V C 0.323 176.549 176.094 0.220 0.000 1.094 570 V CA -1.471 60.979 62.300 0.251 0.000 1.000 570 V CB 1.972 33.965 31.823 0.283 0.000 1.060 570 V HN 0.279 nan 8.190 nan 0.000 0.443 571 Q N 0.956 120.898 119.800 0.237 0.000 2.394 571 Q HA 0.448 4.103 4.340 -1.142 0.000 0.248 571 Q C 1.152 177.314 176.000 0.270 0.000 0.992 571 Q CA 0.959 56.880 55.803 0.196 0.000 0.888 571 Q CB 0.901 29.720 28.738 0.134 0.000 1.257 571 Q HN 1.850 nan 8.270 nan 0.000 0.462 572 G N 0.520 109.437 108.800 0.193 0.000 2.141 572 G HA2 -0.217 3.057 3.960 -1.142 0.000 0.242 572 G HA3 -0.217 3.057 3.960 -1.142 0.000 0.242 572 G C -0.127 174.946 174.900 0.288 0.000 0.982 572 G CA 0.110 45.328 45.100 0.196 0.000 0.662 572 G HN 0.385 nan 8.290 nan 0.000 0.527 573 V N 1.372 121.451 119.914 0.276 0.000 2.472 573 V HA 0.710 4.144 4.120 -1.142 0.000 0.290 573 V C 0.728 176.929 176.094 0.178 0.000 1.037 573 V CA -0.640 61.833 62.300 0.289 0.000 0.908 573 V CB 1.780 33.766 31.823 0.271 0.000 0.985 573 V HN 0.297 nan 8.190 nan 0.000 0.454 574 L N 5.231 126.548 121.223 0.157 0.000 2.330 574 L HA 0.531 4.186 4.340 -1.142 0.000 0.271 574 L C -2.402 174.536 176.870 0.113 0.000 1.013 574 L CA -2.098 52.801 54.840 0.098 0.000 0.816 574 L CB 2.277 44.367 42.059 0.051 0.000 1.287 574 L HN 0.405 nan 8.230 nan 0.000 0.435 575 P HA -0.063 nan 4.420 nan 0.000 0.260 575 P C -0.632 176.723 177.300 0.092 0.000 1.172 575 P CA 0.366 63.531 63.100 0.107 0.000 0.760 575 P CB 0.089 31.847 31.700 0.097 0.000 0.773 576 N N 0.496 119.256 118.700 0.100 0.000 2.705 576 N HA -0.195 3.860 4.740 -1.142 0.000 0.255 576 N C -0.501 175.058 175.510 0.082 0.000 1.008 576 N CA 1.052 54.155 53.050 0.088 0.000 0.742 576 N CB -1.399 37.129 38.487 0.068 0.000 0.906 576 N HN 0.484 nan 8.380 nan 0.000 0.541 577 D N 1.019 121.490 120.400 0.119 0.000 2.350 577 D HA 0.143 4.098 4.640 -1.142 0.000 0.249 577 D C 0.302 176.685 176.300 0.139 0.000 1.119 577 D CA 0.088 54.171 54.000 0.139 0.000 0.886 577 D CB 0.701 41.668 40.800 0.278 0.000 1.195 577 D HN 0.298 nan 8.370 nan 0.000 0.437 578 D N 1.158 121.602 120.400 0.074 0.000 2.269 578 D HA 0.050 4.004 4.640 -1.142 0.000 0.244 578 D C 1.288 177.631 176.300 0.071 0.000 0.992 578 D CA -0.709 53.328 54.000 0.061 0.000 0.894 578 D CB 0.686 41.435 40.800 -0.085 0.000 1.248 578 D HN 0.374 nan 8.370 nan 0.000 0.468 579 F N 1.201 121.236 119.950 0.141 0.000 2.214 579 F HA -0.204 3.638 4.527 -1.142 0.000 0.302 579 F C 1.891 177.723 175.800 0.053 0.000 1.063 579 F CA 0.963 59.036 58.000 0.121 0.000 1.319 579 F CB -0.652 38.410 39.000 0.102 0.000 1.046 579 F HN 0.185 nan 8.300 nan 0.000 0.505 580 R N 0.825 120.898 120.500 -0.713 0.000 2.189 580 R HA 0.044 3.698 4.340 -1.142 0.000 0.223 580 R C 2.510 178.653 176.300 -0.261 0.000 1.092 580 R CA 0.825 56.631 56.100 -0.489 0.000 0.989 580 R CB -0.605 29.362 30.300 -0.556 0.000 0.876 580 R HN 0.502 nan 8.270 nan 0.000 0.457 581 A N 0.331 122.999 122.820 -0.253 0.000 1.930 581 A HA -0.147 3.488 4.320 -1.142 0.000 0.217 581 A C 1.203 178.505 177.584 -0.469 0.000 1.175 581 A CA 1.290 53.119 52.037 -0.347 0.000 0.627 581 A CB -0.337 18.418 19.000 -0.408 0.000 0.815 581 A HN 0.353 nan 8.150 nan 0.000 0.443 582 H N -1.156 117.746 119.070 -0.281 0.000 2.551 582 H HA 0.557 4.428 4.556 -1.142 0.000 0.271 582 H C 0.684 175.851 175.328 -0.267 0.000 0.984 582 H CA 0.316 56.112 56.048 -0.420 0.000 1.164 582 H CB 0.231 29.484 29.762 -0.848 0.000 1.437 582 H HN 0.494 nan 8.280 nan 0.000 0.550 583 A N 0.906 123.697 122.820 -0.048 0.000 2.305 583 A HA 0.654 4.289 4.320 -1.142 0.000 0.322 583 A C 0.018 177.586 177.584 -0.027 0.000 1.187 583 A CA -0.225 51.817 52.037 0.008 0.000 0.825 583 A CB 0.660 19.740 19.000 0.133 0.000 1.164 583 A HN 0.328 nan 8.150 nan 0.000 0.498 584 S N 1.696 117.384 115.700 -0.020 0.000 2.705 584 S HA 0.851 4.636 4.470 -1.142 0.000 0.280 584 S C -0.787 173.806 174.600 -0.012 0.000 1.174 584 S CA -0.851 57.335 58.200 -0.024 0.000 0.823 584 S CB 1.252 64.428 63.200 -0.040 0.000 1.162 584 S HN 0.589 nan 8.310 nan 0.000 0.487 585 M N 1.455 121.047 119.600 -0.013 0.000 2.464 585 M HA 0.558 4.353 4.480 -1.142 0.000 0.308 585 M C -1.595 174.697 176.300 -0.014 0.000 1.127 585 M CA -0.651 54.643 55.300 -0.009 0.000 0.913 585 M CB 2.016 34.614 32.600 -0.003 0.000 1.689 585 M HN 0.606 nan 8.290 nan 0.000 0.445 586 V N 2.028 121.934 119.914 -0.013 0.000 2.398 586 V HA 0.621 4.056 4.120 -1.142 0.000 0.282 586 V C 0.642 176.730 176.094 -0.011 0.000 1.014 586 V CA 0.106 62.398 62.300 -0.014 0.000 0.838 586 V CB 0.680 32.493 31.823 -0.015 0.000 1.018 586 V HN 1.182 nan 8.190 nan 0.000 0.432 587 G N 4.717 113.511 108.800 -0.009 0.000 2.561 587 G HA2 -0.304 2.971 3.960 -1.142 0.000 0.289 587 G HA3 -0.304 2.971 3.960 -1.142 0.000 0.289 587 G C 0.527 175.424 174.900 -0.005 0.000 1.169 587 G CA 0.760 45.856 45.100 -0.007 0.000 0.980 587 G HN 0.609 nan 8.290 nan 0.000 0.550 588 Q N 1.281 121.078 119.800 -0.004 0.000 2.365 588 Q HA 0.194 3.849 4.340 -1.142 0.000 0.203 588 Q C -0.505 175.492 176.000 -0.005 0.000 0.929 588 Q CA 0.360 56.161 55.803 -0.002 0.000 0.948 588 Q CB 0.275 29.013 28.738 -0.001 0.000 1.043 588 Q HN 0.484 nan 8.270 nan 0.000 0.505 589 D N 0.608 121.002 120.400 -0.010 0.000 2.192 589 D HA 0.200 4.155 4.640 -1.142 0.000 0.246 589 D C -0.504 175.784 176.300 -0.019 0.000 1.042 589 D CA -0.161 53.828 54.000 -0.018 0.000 0.847 589 D CB 1.805 42.592 40.800 -0.022 0.000 1.186 589 D HN -0.214 nan 8.370 nan 0.000 0.461 590 T N 0.976 115.513 114.554 -0.029 0.000 2.806 590 T HA 0.398 4.063 4.350 -1.142 0.000 0.290 590 T C 0.090 174.767 174.700 -0.038 0.000 0.966 590 T CA -0.508 61.577 62.100 -0.025 0.000 1.060 590 T CB 0.917 69.771 68.868 -0.024 0.000 0.927 590 T HN -0.008 nan 8.240 nan 0.000 0.485 591 V N 5.346 125.246 119.914 -0.024 0.000 2.417 591 V HA 0.456 3.891 4.120 -1.142 0.000 0.291 591 V C -0.222 175.858 176.094 -0.022 0.000 1.024 591 V CA -0.879 61.406 62.300 -0.026 0.000 0.861 591 V CB 1.282 33.090 31.823 -0.024 0.000 0.985 591 V HN 0.714 nan 8.190 nan 0.000 0.436 592 L N 5.403 126.619 121.223 -0.012 0.000 2.287 592 L HA 0.593 4.247 4.340 -1.142 0.000 0.287 592 L C -0.052 176.804 176.870 -0.025 0.000 1.022 592 L CA -0.474 54.351 54.840 -0.025 0.000 0.814 592 L CB 1.259 43.352 42.059 0.056 0.000 1.217 592 L HN 0.538 nan 8.230 nan 0.000 0.420 593 K N 3.723 124.005 120.400 -0.197 0.000 2.244 593 K HA 0.614 4.249 4.320 -1.142 0.000 0.260 593 K C -1.392 174.954 176.600 -0.422 0.000 0.951 593 K CA -0.483 55.712 56.287 -0.152 0.000 0.826 593 K CB 2.135 34.565 32.500 -0.117 0.000 1.108 593 K HN 0.258 nan 8.250 nan 0.000 0.433 594 F N 1.393 121.341 119.950 -0.003 0.000 2.646 594 F HA 0.225 4.066 4.527 -1.142 0.000 0.364 594 F C 1.045 176.836 175.800 -0.016 0.000 1.137 594 F CA -0.237 57.767 58.000 0.006 0.000 1.085 594 F CB 1.474 40.485 39.000 0.018 0.000 1.331 594 F HN 0.918 nan 8.300 nan 0.000 0.472 595 G N 2.531 111.394 108.800 0.106 0.000 2.690 595 G HA2 -0.332 2.942 3.960 -1.142 0.000 0.334 595 G HA3 -0.332 2.942 3.960 -1.142 0.000 0.334 595 G C 1.303 176.201 174.900 -0.004 0.000 1.250 595 G CA 0.413 45.539 45.100 0.043 0.000 0.994 595 G HN 1.147 nan 8.290 nan 0.000 0.549 596 G N 0.402 109.186 108.800 -0.026 0.000 3.337 596 G HA2 0.459 3.734 3.960 -1.142 0.000 0.246 596 G HA3 0.459 3.734 3.960 -1.142 0.000 0.246 596 G C 0.130 174.962 174.900 -0.113 0.000 1.131 596 G CA 0.888 45.956 45.100 -0.053 0.000 0.773 596 G HN 0.644 nan 8.290 nan 0.000 0.544 597 D N 0.539 120.824 120.400 -0.191 0.000 2.332 597 D HA 0.540 4.495 4.640 -1.142 0.000 0.252 597 D C -0.071 176.136 176.300 -0.154 0.000 1.050 597 D CA 0.029 53.772 54.000 -0.428 0.000 0.970 597 D CB 1.883 41.943 40.800 -1.234 0.000 1.141 597 D HN 0.223 nan 8.370 nan 0.000 0.485 598 S N -0.991 114.692 115.700 -0.028 0.000 2.535 598 S HA 0.496 4.281 4.470 -1.142 0.000 0.272 598 S C -1.361 173.400 174.600 0.267 0.000 1.149 598 S CA -0.849 57.452 58.200 0.169 0.000 0.888 598 S CB 1.294 64.524 63.200 0.050 0.000 1.110 598 S HN 0.162 nan 8.310 nan 0.000 0.463 599 V N 2.360 122.369 119.914 0.159 0.000 2.444 599 V HA 0.588 4.023 4.120 -1.142 0.000 0.294 599 V C -0.292 175.775 176.094 -0.045 0.000 1.022 599 V CA -0.456 61.830 62.300 -0.024 0.000 0.850 599 V CB 1.721 33.366 31.823 -0.297 0.000 0.992 599 V HN 1.015 nan 8.190 nan 0.000 0.426 600 T N 6.466 120.986 114.554 -0.056 0.000 2.749 600 T HA 0.555 4.219 4.350 -1.142 0.000 0.287 600 T C -0.167 174.460 174.700 -0.121 0.000 0.970 600 T CA -0.250 61.810 62.100 -0.066 0.000 0.980 600 T CB 0.746 69.593 68.868 -0.036 0.000 0.924 600 T HN 0.375 nan 8.240 nan 0.000 0.456 601 L N 4.148 125.284 121.223 -0.146 0.000 2.270 601 L HA 0.347 4.001 4.340 -1.142 0.000 0.286 601 L C 0.045 176.855 176.870 -0.100 0.000 1.059 601 L CA -0.852 53.872 54.840 -0.194 0.000 0.839 601 L CB 0.704 42.605 42.059 -0.263 0.000 1.221 601 L HN 0.384 nan 8.230 nan 0.000 0.431 602 V N 3.073 122.939 119.914 -0.080 0.000 2.521 602 V HA 0.164 3.599 4.120 -1.142 0.000 0.286 602 V C 1.281 177.363 176.094 -0.019 0.000 1.034 602 V CA 0.446 62.722 62.300 -0.040 0.000 1.045 602 V CB 0.737 32.542 31.823 -0.030 0.000 0.974 602 V HN 1.051 nan 8.190 nan 0.000 0.480 603 G N 3.938 112.731 108.800 -0.011 0.000 2.323 603 G HA2 -0.174 3.101 3.960 -1.142 0.000 0.292 603 G HA3 -0.174 3.101 3.960 -1.142 0.000 0.292 603 G C -0.238 174.668 174.900 0.011 0.000 1.040 603 G CA 0.313 45.413 45.100 0.001 0.000 0.942 603 G HN 0.822 nan 8.290 nan 0.000 0.506 604 V N -0.070 119.848 119.914 0.008 0.000 2.531 604 V HA 0.791 4.226 4.120 -1.142 0.000 0.301 604 V C 0.540 176.645 176.094 0.018 0.000 1.034 604 V CA -0.513 61.803 62.300 0.027 0.000 0.865 604 V CB 1.738 33.587 31.823 0.043 0.000 0.995 604 V HN 1.142 nan 8.190 nan 0.000 0.424 605 A N 3.686 126.522 122.820 0.027 0.000 2.331 605 A HA 0.576 4.211 4.320 -1.142 0.000 0.283 605 A C 0.926 178.534 177.584 0.040 0.000 1.142 605 A CA -0.353 51.700 52.037 0.027 0.000 0.812 605 A CB 0.635 19.650 19.000 0.026 0.000 1.074 605 A HN 0.852 nan 8.150 nan 0.000 0.497 606 L N 2.372 123.623 121.223 0.047 0.000 2.010 606 L HA -0.250 3.404 4.340 -1.142 0.000 0.219 606 L C 1.717 178.657 176.870 0.116 0.000 1.077 606 L CA 2.415 57.307 54.840 0.086 0.000 0.773 606 L CB -0.962 41.147 42.059 0.083 0.000 0.892 606 L HN 0.801 nan 8.230 nan 0.000 0.436 607 N N -0.545 118.206 118.700 0.085 0.000 2.430 607 N HA -0.124 3.931 4.740 -1.142 0.000 0.186 607 N C 1.809 177.369 175.510 0.082 0.000 1.032 607 N CA 1.212 54.313 53.050 0.086 0.000 0.893 607 N CB -0.429 38.091 38.487 0.055 0.000 0.957 607 N HN 0.660 nan 8.380 nan 0.000 0.442 608 S N -0.577 115.164 115.700 0.069 0.000 2.558 608 S HA 0.133 3.918 4.470 -1.142 0.000 0.217 608 S C 0.719 175.353 174.600 0.057 0.000 0.975 608 S CA -0.276 57.958 58.200 0.055 0.000 0.912 608 S CB -0.094 63.132 63.200 0.044 0.000 0.776 608 S HN 0.101 nan 8.310 nan 0.000 0.526 609 L N 2.394 123.653 121.223 0.060 0.000 2.350 609 L HA 0.544 4.199 4.340 -1.142 0.000 0.275 609 L C 0.410 177.283 176.870 0.005 0.000 1.099 609 L CA -0.489 54.329 54.840 -0.035 0.000 0.808 609 L CB 1.508 43.425 42.059 -0.237 0.000 1.149 609 L HN 0.267 nan 8.230 nan 0.000 0.442 610 S N 1.322 116.986 115.700 -0.058 0.000 2.566 610 S HA 0.591 4.376 4.470 -1.142 0.000 0.298 610 S C 0.640 175.254 174.600 0.024 0.000 1.083 610 S CA -0.101 58.140 58.200 0.067 0.000 0.978 610 S CB 1.961 65.200 63.200 0.065 0.000 1.073 610 S HN 0.677 nan 8.310 nan 0.000 0.491 611 A N 1.954 124.940 122.820 0.276 0.000 2.121 611 A HA 0.025 3.659 4.320 -1.142 0.000 0.218 611 A C 1.470 179.144 177.584 0.151 0.000 1.154 611 A CA 1.365 53.594 52.037 0.320 0.000 0.679 611 A CB -0.646 18.582 19.000 0.380 0.000 0.795 611 A HN 0.895 nan 8.150 nan 0.000 0.458 612 D N -0.181 120.281 120.400 0.104 0.000 2.269 612 D HA -0.045 3.909 4.640 -1.142 0.000 0.208 612 D C 1.458 177.799 176.300 0.067 0.000 0.963 612 D CA 1.360 55.409 54.000 0.081 0.000 0.864 612 D CB -0.101 40.737 40.800 0.064 0.000 0.936 612 D HN 0.466 nan 8.370 nan 0.000 0.505 613 G N 0.218 109.054 108.800 0.060 0.000 3.805 613 G HA2 0.360 3.635 3.960 -1.142 0.000 0.290 613 G HA3 0.360 3.635 3.960 -1.142 0.000 0.290 613 G C 0.353 175.322 174.900 0.115 0.000 1.077 613 G CA -0.217 44.942 45.100 0.098 0.000 0.852 613 G HN 0.111 nan 8.290 nan 0.000 0.531 614 I N 1.468 122.068 120.570 0.050 0.000 2.719 614 I HA 0.152 3.637 4.170 -1.142 0.000 0.275 614 I C -0.546 175.655 176.117 0.141 0.000 1.228 614 I CA -0.605 60.743 61.300 0.081 0.000 1.035 614 I CB 2.014 39.993 38.000 -0.035 0.000 1.286 614 I HN -0.289 nan 8.210 nan 0.000 0.531 615 V N 6.070 126.016 119.914 0.054 0.000 2.439 615 V HA 0.215 3.650 4.120 -1.142 0.000 0.271 615 V C 0.526 176.673 176.094 0.088 0.000 1.040 615 V CA 0.183 62.472 62.300 -0.020 0.000 1.002 615 V CB 0.821 32.435 31.823 -0.348 0.000 1.000 615 V HN 0.424 nan 8.190 nan 0.000 0.477 616 I N 5.416 126.075 120.570 0.149 0.000 2.306 616 I HA 0.571 4.056 4.170 -1.142 0.000 0.288 616 I C 0.630 176.815 176.117 0.114 0.000 1.036 616 I CA 0.017 61.411 61.300 0.158 0.000 1.221 616 I CB 0.973 39.090 38.000 0.195 0.000 1.385 616 I HN 0.671 nan 8.210 nan 0.000 0.472 617 A N 0.000 122.875 122.820 0.092 0.000 2.254 617 A HA 0.000 3.635 4.320 -1.142 0.000 0.244 617 A CA 0.000 52.108 52.037 0.119 0.000 0.836 617 A CB 0.000 19.042 19.000 0.069 0.000 0.831 617 A HN 0.000 nan 8.150 nan 0.000 0.486