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 1e03_1_L DATA FIRST_RESID 5 DATA SEQUENCE VDIcTAKPRD IPMNPMcIYR SPEXXXXEDE GSEQKIPEAT NRRVWELSKA DATA SEQUENCE NSRFATTFYQ HLADSKNDND NIFLSPLSIS TAFAMTKLGA cNDTLQQLME DATA SEQUENCE VFKFDTISEK TSDQIHFFFA KLNcRLYRKA NKSSKLVSAN RLFGDKSLTF DATA SEQUENCE NETYQDISEL VYGAKLQPLD FKENAEQSRA AINKWVSNKT EGRITDVIPS DATA SEQUENCE EAINELTVLV LVNTIYFKGL WKSKFSPENT RKELFYKADG EScSASMMYQ DATA SEQUENCE EGKFRYRRVA EGTQVLELPF KGDDITMVLI LPKPEKSLAK VEKELTPEVL DATA SEQUENCE QEWLDELEEM MLVVHMPRFR IEDGFSLKEQ LQDMGLVDLF SPEKSKLPGI DATA SEQUENCE VAEGRDDLYV SDAFHKAFLE VNEEGSEAAA STAVVIAGRS LNPNRVTFKA DATA SEQUENCE NRPFLVFIRE VPLNTIIFMG RVANPcV 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 5 V HA 0.000 nan 4.120 nan 0.000 0.244 5 V C 0.000 176.090 176.094 -0.007 0.000 1.182 5 V CA 0.000 62.297 62.300 -0.005 0.000 1.235 5 V CB 0.000 31.823 31.823 0.000 0.000 1.184 6 D N 0.877 121.274 120.400 -0.006 0.000 2.455 6 D HA 0.327 5.385 4.640 0.696 0.000 0.241 6 D C 1.172 177.462 176.300 -0.016 0.000 1.138 6 D CA 0.039 54.031 54.000 -0.014 0.000 0.877 6 D CB 1.052 41.847 40.800 -0.008 0.000 1.187 6 D HN 0.523 nan 8.370 nan 0.000 0.451 7 I N 1.767 122.307 120.570 -0.049 0.000 3.059 7 I HA -0.124 4.463 4.170 0.696 0.000 0.270 7 I C 2.244 178.273 176.117 -0.146 0.000 1.238 7 I CA 0.267 61.509 61.300 -0.097 0.000 1.478 7 I CB -1.252 36.647 38.000 -0.169 0.000 1.097 7 I HN 0.406 nan 8.210 nan 0.000 0.455 8 c N 1.176 119.723 118.600 -0.089 0.000 2.432 8 c HA -0.075 4.912 4.570 0.696 0.000 0.282 8 c C 2.733 176.807 174.090 -0.027 0.000 1.388 8 c CA 1.638 57.928 56.329 -0.064 0.000 1.777 8 c CB -1.116 41.377 42.510 -0.028 0.000 1.882 8 c HN 0.673 nan 8.230 nan 0.000 0.520 9 T N -2.250 112.302 114.554 -0.005 0.000 2.969 9 T HA 0.416 5.183 4.350 0.696 0.000 0.250 9 T C 0.801 175.531 174.700 0.050 0.000 1.021 9 T CA 0.671 62.784 62.100 0.022 0.000 1.003 9 T CB -0.114 68.766 68.868 0.020 0.000 1.040 9 T HN 0.364 nan 8.240 nan 0.000 0.492 10 A N 1.548 124.406 122.820 0.063 0.000 2.409 10 A HA 0.584 5.322 4.320 0.696 0.000 0.246 10 A C 0.148 177.879 177.584 0.245 0.000 1.099 10 A CA -0.173 51.938 52.037 0.123 0.000 0.789 10 A CB 0.232 19.311 19.000 0.132 0.000 1.053 10 A HN 0.496 nan 8.150 nan 0.000 0.503 11 K N 0.093 120.592 120.400 0.164 0.000 2.435 11 K HA 0.403 5.140 4.320 0.696 0.000 0.251 11 K C -2.190 174.233 176.600 -0.295 0.000 0.954 11 K CA -1.956 54.351 56.287 0.033 0.000 0.820 11 K CB 2.125 34.629 32.500 0.007 0.000 1.292 11 K HN 0.238 nan 8.250 nan 0.000 0.436 12 P HA -0.245 nan 4.420 nan 0.000 0.219 12 P C 0.491 177.590 177.300 -0.335 0.000 1.158 12 P CA 1.664 64.290 63.100 -0.790 0.000 0.895 12 P CB 0.194 31.499 31.700 -0.657 0.000 0.792 13 R N -1.022 119.362 120.500 -0.193 0.000 2.148 13 R HA -0.087 4.670 4.340 0.696 0.000 0.223 13 R C 1.711 177.968 176.300 -0.073 0.000 1.088 13 R CA 1.312 57.350 56.100 -0.104 0.000 0.985 13 R CB -0.818 29.442 30.300 -0.066 0.000 0.880 13 R HN 0.284 nan 8.270 nan 0.000 0.451 14 D N 1.327 121.688 120.400 -0.065 0.000 2.097 14 D HA -0.108 4.949 4.640 0.696 0.000 0.195 14 D C 0.854 177.142 176.300 -0.021 0.000 0.989 14 D CA 1.203 55.188 54.000 -0.026 0.000 0.827 14 D CB -0.071 40.731 40.800 0.005 0.000 0.966 14 D HN 0.311 nan 8.370 nan 0.000 0.456 15 I N -0.668 119.887 120.570 -0.025 0.000 2.412 15 I HA 0.336 4.924 4.170 0.696 0.000 0.279 15 I C -2.573 173.522 176.117 -0.038 0.000 1.063 15 I CA -2.342 58.951 61.300 -0.011 0.000 1.193 15 I CB 1.311 39.331 38.000 0.034 0.000 1.370 15 I HN -0.285 nan 8.210 nan 0.000 0.479 16 P HA 0.060 nan 4.420 nan 0.000 0.269 16 P C -0.024 177.263 177.300 -0.021 0.000 1.252 16 P CA -0.011 63.068 63.100 -0.035 0.000 0.780 16 P CB 1.359 33.044 31.700 -0.025 0.000 0.829 17 M N 3.115 122.705 119.600 -0.016 0.000 2.114 17 M HA 0.006 4.904 4.480 0.696 0.000 0.325 17 M C -0.863 175.444 176.300 0.013 0.000 0.946 17 M CA -0.006 55.293 55.300 -0.003 0.000 1.137 17 M CB -0.302 32.298 32.600 -0.001 0.000 2.041 17 M HN 0.098 nan 8.290 nan 0.000 0.692 18 N N 4.053 122.769 118.700 0.026 0.000 1.433 18 N HA -0.072 5.085 4.740 0.696 0.000 0.382 18 N C -2.416 173.125 175.510 0.052 0.000 1.205 18 N CA 0.315 53.396 53.050 0.052 0.000 0.766 18 N CB -1.286 37.227 38.487 0.043 0.000 0.975 18 N HN 0.351 nan 8.380 nan 0.000 0.541 19 P HA -0.081 nan 4.420 nan 0.000 0.272 19 P C 1.175 178.512 177.300 0.062 0.000 1.254 19 P CA -0.506 62.630 63.100 0.061 0.000 0.795 19 P CB 0.616 32.368 31.700 0.087 0.000 1.022 20 M N 0.122 119.755 119.600 0.054 0.000 2.200 20 M HA -0.124 4.774 4.480 0.696 0.000 0.261 20 M C 0.241 176.573 176.300 0.053 0.000 1.074 20 M CA 2.057 57.384 55.300 0.045 0.000 1.098 20 M CB -0.514 32.105 32.600 0.032 0.000 1.268 20 M HN 0.225 nan 8.290 nan 0.000 0.432 21 c N 0.557 119.195 118.600 0.063 0.000 2.351 21 c HA 0.663 5.650 4.570 0.696 0.000 0.359 21 c C 0.135 174.287 174.090 0.104 0.000 1.193 21 c CA -0.968 55.405 56.329 0.074 0.000 2.270 21 c CB 0.720 43.270 42.510 0.066 0.000 2.369 21 c HN 0.503 nan 8.230 nan 0.000 0.553 22 I N 0.878 121.516 120.570 0.114 0.000 2.769 22 I HA 0.344 4.931 4.170 0.696 0.000 0.298 22 I C -0.916 175.319 176.117 0.197 0.000 1.128 22 I CA -0.554 60.842 61.300 0.160 0.000 1.031 22 I CB 1.704 39.779 38.000 0.125 0.000 1.235 22 I HN 0.740 nan 8.210 nan 0.000 0.423 23 Y N 5.092 125.422 120.300 0.050 0.000 2.320 23 Y HA 0.810 5.778 4.550 0.696 0.000 0.324 23 Y C 0.338 176.264 175.900 0.043 0.000 1.190 23 Y CA -0.896 57.234 58.100 0.050 0.000 1.215 23 Y CB 0.386 38.883 38.460 0.062 0.000 1.221 23 Y HN 0.687 nan 8.280 nan 0.000 0.486 24 R N 1.493 121.792 120.500 -0.336 0.000 2.840 24 R HA 0.528 5.286 4.340 0.696 0.000 0.282 24 R C -0.363 175.517 176.300 -0.699 0.000 1.133 24 R CA 0.180 56.056 56.100 -0.373 0.000 1.208 24 R CB -0.781 29.408 30.300 -0.185 0.000 1.160 24 R HN 0.828 nan 8.270 nan 0.000 0.576 25 S N 1.447 116.924 115.700 -0.371 0.000 2.433 25 S HA 0.493 5.381 4.470 0.696 0.000 0.310 25 S C -2.041 172.462 174.600 -0.163 0.000 1.097 25 S CA -0.933 57.095 58.200 -0.287 0.000 1.103 25 S CB 1.385 64.495 63.200 -0.150 0.000 0.992 25 S HN 0.721 nan 8.310 nan 0.000 0.469 26 P HA 0.296 nan 4.420 nan 0.000 0.272 26 P C 0.451 177.738 177.300 -0.022 0.000 1.248 26 P CA -0.234 62.844 63.100 -0.037 0.000 0.799 26 P CB 0.169 31.880 31.700 0.018 0.000 0.997 33 D N 1.617 122.034 120.400 0.028 0.000 2.382 33 D HA 0.406 5.464 4.640 0.696 0.000 0.259 33 D C 0.606 176.923 176.300 0.028 0.000 1.224 33 D CA 0.928 54.941 54.000 0.022 0.000 0.894 33 D CB 0.847 41.655 40.800 0.012 0.000 1.127 33 D HN 0.771 nan 8.370 nan 0.000 0.487 34 E N 2.647 122.860 120.200 0.021 0.000 2.037 34 E HA 0.431 5.199 4.350 0.696 0.000 0.253 34 E C 0.941 177.554 176.600 0.022 0.000 1.265 34 E CA -0.095 56.318 56.400 0.021 0.000 0.972 34 E CB -0.696 29.012 29.700 0.015 0.000 1.054 34 E HN 0.774 nan 8.360 nan 0.000 0.432 35 G N 2.229 111.047 108.800 0.029 0.000 3.035 35 G HA2 -0.024 4.353 3.960 0.696 0.000 0.214 35 G HA3 -0.024 4.353 3.960 0.696 0.000 0.214 35 G C 0.224 175.153 174.900 0.048 0.000 1.063 35 G CA -0.293 44.825 45.100 0.031 0.000 1.109 35 G HN 0.977 nan 8.290 nan 0.000 0.563 36 S N 0.484 116.225 115.700 0.067 0.000 2.702 36 S HA 0.464 5.351 4.470 0.696 0.000 0.314 36 S C 0.851 175.527 174.600 0.127 0.000 1.244 36 S CA 1.129 59.400 58.200 0.119 0.000 1.058 36 S CB 0.618 63.900 63.200 0.136 0.000 0.783 36 S HN 1.599 nan 8.310 nan 0.000 0.503 37 E N 0.783 121.090 120.200 0.178 0.000 2.263 37 E HA 0.670 5.437 4.350 0.696 0.000 0.264 37 E C 0.237 177.020 176.600 0.305 0.000 0.923 37 E CA -0.596 55.902 56.400 0.163 0.000 0.802 37 E CB 0.439 30.195 29.700 0.093 0.000 1.228 37 E HN 1.422 nan 8.360 nan 0.000 0.417 38 Q N 1.075 121.003 119.800 0.215 0.000 2.451 38 Q HA -0.109 4.649 4.340 0.696 0.000 0.292 38 Q C 0.400 176.487 176.000 0.145 0.000 1.390 38 Q CA 0.870 56.832 55.803 0.266 0.000 0.753 38 Q CB -2.672 26.301 28.738 0.391 0.000 1.128 38 Q HN 0.629 nan 8.270 nan 0.000 0.402 39 K N 0.144 120.503 120.400 -0.069 0.000 2.547 39 K HA 0.075 4.813 4.320 0.696 0.000 0.275 39 K C 0.770 177.103 176.600 -0.445 0.000 1.001 39 K CA 0.636 56.746 56.287 -0.294 0.000 1.111 39 K CB -0.412 31.978 32.500 -0.185 0.000 0.832 39 K HN 0.871 nan 8.250 nan 0.000 0.485 40 I N 5.109 125.177 120.570 -0.836 0.000 2.710 40 I HA 0.005 4.593 4.170 0.696 0.000 0.286 40 I C -1.207 174.712 176.117 -0.331 0.000 1.181 40 I CA -1.418 59.391 61.300 -0.818 0.000 1.430 40 I CB -0.405 37.122 38.000 -0.789 0.000 1.367 40 I HN 0.477 nan 8.210 nan 0.000 0.577 41 P HA 0.087 nan 4.420 nan 0.000 0.272 41 P C -0.365 176.893 177.300 -0.069 0.000 1.254 41 P CA -0.365 62.690 63.100 -0.075 0.000 0.795 41 P CB 0.419 32.117 31.700 -0.004 0.000 1.022 42 E N -0.326 119.853 120.200 -0.035 0.000 2.404 42 E HA 0.257 5.024 4.350 0.696 0.000 0.261 42 E C 0.306 176.902 176.600 -0.007 0.000 1.074 42 E CA 0.116 56.502 56.400 -0.024 0.000 0.917 42 E CB -0.034 29.659 29.700 -0.011 0.000 0.965 42 E HN 0.572 nan 8.360 nan 0.000 0.433 43 A N 2.170 124.988 122.820 -0.003 0.000 2.511 43 A HA -0.195 4.542 4.320 0.696 0.000 0.297 43 A C -0.147 177.452 177.584 0.025 0.000 1.476 43 A CA 1.303 53.348 52.037 0.013 0.000 0.757 43 A CB -1.776 17.235 19.000 0.019 0.000 1.072 43 A HN 0.399 nan 8.150 nan 0.000 0.413 44 T N 1.231 115.796 114.554 0.020 0.000 3.011 44 T HA 0.298 5.066 4.350 0.696 0.000 0.303 44 T C -0.177 174.556 174.700 0.054 0.000 0.997 44 T CA -0.618 61.509 62.100 0.045 0.000 1.007 44 T CB 0.943 69.837 68.868 0.043 0.000 1.017 44 T HN 0.557 nan 8.240 nan 0.000 0.443 45 N N 3.160 121.921 118.700 0.101 0.000 2.440 45 N HA 0.009 5.166 4.740 0.696 0.000 0.265 45 N C 1.543 177.127 175.510 0.124 0.000 1.239 45 N CA 0.031 53.156 53.050 0.125 0.000 0.909 45 N CB 0.537 39.148 38.487 0.208 0.000 1.066 45 N HN 0.502 nan 8.380 nan 0.000 0.474 46 R N 3.725 124.269 120.500 0.073 0.000 2.162 46 R HA -0.260 4.497 4.340 0.696 0.000 0.245 46 R C 1.645 178.047 176.300 0.170 0.000 1.129 46 R CA 2.044 58.200 56.100 0.093 0.000 0.940 46 R CB -0.295 30.025 30.300 0.034 0.000 0.875 46 R HN 0.637 nan 8.270 nan 0.000 0.437 47 R N -0.271 120.228 120.500 -0.002 0.000 2.119 47 R HA -0.152 4.606 4.340 0.696 0.000 0.246 47 R C 2.374 178.611 176.300 -0.104 0.000 1.146 47 R CA 1.726 57.688 56.100 -0.231 0.000 0.962 47 R CB -0.647 29.137 30.300 -0.860 0.000 0.863 47 R HN 0.101 nan 8.270 nan 0.000 0.442 48 V N -0.525 119.452 119.914 0.105 0.000 2.255 48 V HA -0.272 4.266 4.120 0.696 0.000 0.247 48 V C 1.872 178.039 176.094 0.121 0.000 1.051 48 V CA 1.962 64.360 62.300 0.164 0.000 1.018 48 V CB -0.584 31.360 31.823 0.201 0.000 0.641 48 V HN 0.555 nan 8.190 nan 0.000 0.445 49 W N 1.102 122.395 121.300 -0.012 0.000 2.325 49 W HA -0.230 4.848 4.660 0.696 0.000 0.299 49 W C 2.323 178.825 176.519 -0.029 0.000 1.215 49 W CA 2.172 59.507 57.345 -0.017 0.000 1.244 49 W CB -0.118 29.336 29.460 -0.010 0.000 1.140 49 W HN 0.290 nan 8.180 nan 0.000 0.523 50 E N -0.033 120.081 120.200 -0.143 0.000 2.077 50 E HA -0.260 4.507 4.350 0.696 0.000 0.193 50 E C 2.102 178.531 176.600 -0.285 0.000 0.989 50 E CA 1.477 57.668 56.400 -0.348 0.000 0.800 50 E CB -0.511 29.138 29.700 -0.085 0.000 0.746 50 E HN 0.291 nan 8.360 nan 0.000 0.452 51 L N 0.441 121.561 121.223 -0.171 0.000 2.046 51 L HA -0.176 4.582 4.340 0.696 0.000 0.208 51 L C 2.400 179.156 176.870 -0.190 0.000 1.077 51 L CA 1.545 56.301 54.840 -0.140 0.000 0.747 51 L CB -0.492 41.486 42.059 -0.135 0.000 0.896 51 L HN -0.025 nan 8.230 nan 0.000 0.432 52 S N -0.888 114.683 115.700 -0.214 0.000 2.370 52 S HA -0.248 4.639 4.470 0.696 0.000 0.226 52 S C 2.050 176.503 174.600 -0.245 0.000 1.033 52 S CA 1.656 59.736 58.200 -0.200 0.000 1.011 52 S CB -0.166 62.933 63.200 -0.167 0.000 0.852 52 S HN 0.457 nan 8.310 nan 0.000 0.457 53 K N 0.597 120.754 120.400 -0.405 0.000 2.097 53 K HA 0.019 4.756 4.320 0.696 0.000 0.205 53 K C 2.359 178.829 176.600 -0.218 0.000 1.050 53 K CA 1.050 57.114 56.287 -0.373 0.000 0.938 53 K CB -0.311 31.843 32.500 -0.577 0.000 0.718 53 K HN 0.395 nan 8.250 nan 0.000 0.442 54 A N 2.192 124.900 122.820 -0.186 0.000 1.877 54 A HA -0.203 4.534 4.320 0.696 0.000 0.216 54 A C 1.770 179.290 177.584 -0.106 0.000 1.186 54 A CA 1.705 53.667 52.037 -0.125 0.000 0.620 54 A CB -0.523 18.442 19.000 -0.059 0.000 0.822 54 A HN 0.244 nan 8.150 nan 0.000 0.443 55 N N 0.466 119.117 118.700 -0.081 0.000 2.166 55 N HA -0.096 5.061 4.740 0.696 0.000 0.186 55 N C 1.879 177.436 175.510 0.078 0.000 1.019 55 N CA 1.580 54.641 53.050 0.019 0.000 0.856 55 N CB -0.577 37.927 38.487 0.028 0.000 0.993 55 N HN 0.429 nan 8.380 nan 0.000 0.426 56 S N 0.847 116.548 115.700 0.001 0.000 2.402 56 S HA 0.007 4.895 4.470 0.696 0.000 0.229 56 S C 1.862 176.462 174.600 0.000 0.000 1.021 56 S CA 0.684 58.887 58.200 0.005 0.000 0.974 56 S CB 0.055 63.233 63.200 -0.037 0.000 0.800 56 S HN 0.367 nan 8.310 nan 0.000 0.484 57 R N -0.236 120.252 120.500 -0.020 0.000 2.115 57 R HA 0.009 4.767 4.340 0.696 0.000 0.226 57 R C 2.006 178.307 176.300 0.002 0.000 1.100 57 R CA 1.123 57.209 56.100 -0.024 0.000 0.980 57 R CB -0.363 29.911 30.300 -0.043 0.000 0.875 57 R HN 0.432 nan 8.270 nan 0.000 0.445 58 F N 1.670 121.565 119.950 -0.093 0.000 2.163 58 F HA -0.048 4.902 4.527 0.706 0.000 0.297 58 F C 2.262 178.072 175.800 0.015 0.000 1.094 58 F CA 1.021 58.960 58.000 -0.102 0.000 1.290 58 F CB -0.418 38.486 39.000 -0.161 0.000 1.017 58 F HN -0.046 nan 8.300 nan 0.000 0.483 59 A N 0.352 123.152 122.820 -0.034 0.000 1.859 59 A HA -0.287 4.450 4.320 0.696 0.000 0.217 59 A C 2.330 179.898 177.584 -0.026 0.000 1.198 59 A CA 3.278 55.305 52.037 -0.017 0.000 0.629 59 A CB -1.752 17.314 19.000 0.110 0.000 0.830 59 A HN 0.554 nan 8.150 nan 0.000 0.446 60 T N -2.857 111.698 114.554 0.002 0.000 2.684 60 T HA -0.172 4.595 4.350 0.696 0.000 0.267 60 T C 1.827 176.530 174.700 0.005 0.000 1.036 60 T CA 2.283 64.399 62.100 0.028 0.000 1.148 60 T CB -1.330 67.546 68.868 0.013 0.000 0.863 60 T HN 0.378 nan 8.240 nan 0.000 0.436 61 T N 1.560 116.075 114.554 -0.064 0.000 2.684 61 T HA -0.024 4.743 4.350 0.696 0.000 0.267 61 T C 1.394 176.070 174.700 -0.040 0.000 1.036 61 T CA 1.469 63.541 62.100 -0.048 0.000 1.148 61 T CB -0.742 68.090 68.868 -0.061 0.000 0.863 61 T HN 0.400 nan 8.240 nan 0.000 0.436 62 F N 1.006 120.678 119.950 -0.463 0.000 2.069 62 F HA -0.174 4.770 4.527 0.696 0.000 0.298 62 F C 2.201 177.891 175.800 -0.183 0.000 1.113 62 F CA 1.086 58.792 58.000 -0.490 0.000 1.214 62 F CB -0.766 37.609 39.000 -1.041 0.000 0.978 62 F HN 0.170 nan 8.300 nan 0.000 0.474 63 Y N 1.375 121.498 120.300 -0.294 0.000 2.081 63 Y HA -0.357 4.632 4.550 0.732 0.000 0.280 63 Y C 2.603 178.338 175.900 -0.277 0.000 1.163 63 Y CA 2.473 60.399 58.100 -0.290 0.000 1.135 63 Y CB -0.838 37.547 38.460 -0.124 0.000 0.970 63 Y HN 0.258 nan 8.280 nan 0.000 0.498 64 Q N -1.080 118.688 119.800 -0.053 0.000 2.082 64 Q HA -0.331 4.426 4.340 0.696 0.000 0.211 64 Q C 1.962 177.755 176.000 -0.344 0.000 1.002 64 Q CA 2.301 58.007 55.803 -0.161 0.000 0.868 64 Q CB -0.511 28.157 28.738 -0.117 0.000 0.931 64 Q HN 0.680 nan 8.270 nan 0.000 0.414 65 H N -0.251 118.619 119.070 -0.333 0.000 2.357 65 H HA -0.110 4.864 4.556 0.697 0.000 0.301 65 H C 1.823 176.871 175.328 -0.466 0.000 1.082 65 H CA 1.242 57.084 56.048 -0.344 0.000 1.342 65 H CB -0.175 29.402 29.762 -0.309 0.000 1.389 65 H HN 0.097 nan 8.280 nan 0.000 0.511 66 L N 0.568 121.434 121.223 -0.595 0.000 1.989 66 L HA -0.156 4.602 4.340 0.696 0.000 0.211 66 L C 2.353 178.860 176.870 -0.606 0.000 1.071 66 L CA 1.928 56.338 54.840 -0.716 0.000 0.749 66 L CB -0.928 40.535 42.059 -0.993 0.000 0.890 66 L HN 0.289 nan 8.230 nan 0.000 0.431 67 A N -1.209 121.178 122.820 -0.722 0.000 2.015 67 A HA -0.264 4.474 4.320 0.696 0.000 0.219 67 A C 2.026 179.413 177.584 -0.329 0.000 1.163 67 A CA 1.718 53.408 52.037 -0.578 0.000 0.646 67 A CB -0.903 17.681 19.000 -0.693 0.000 0.806 67 A HN 0.646 nan 8.150 nan 0.000 0.448 68 D N -0.336 119.883 120.400 -0.301 0.000 2.224 68 D HA -0.122 4.935 4.640 0.696 0.000 0.205 68 D C 1.874 178.069 176.300 -0.176 0.000 0.965 68 D CA 1.476 55.348 54.000 -0.213 0.000 0.852 68 D CB -0.009 40.652 40.800 -0.232 0.000 0.947 68 D HN 0.433 nan 8.370 nan 0.000 0.494 69 S N -1.369 114.210 115.700 -0.201 0.000 2.605 69 S HA 0.139 5.026 4.470 0.696 0.000 0.217 69 S C 0.529 175.043 174.600 -0.143 0.000 0.958 69 S CA -0.477 57.629 58.200 -0.156 0.000 0.919 69 S CB 0.007 63.111 63.200 -0.160 0.000 0.780 69 S HN 0.009 nan 8.310 nan 0.000 0.507 70 K N 1.381 121.687 120.400 -0.157 0.000 2.352 70 K HA 0.333 5.071 4.320 0.696 0.000 0.240 70 K C -0.714 175.837 176.600 -0.082 0.000 1.017 70 K CA -0.816 55.400 56.287 -0.118 0.000 0.851 70 K CB 0.875 33.286 32.500 -0.149 0.000 1.261 70 K HN 0.189 nan 8.250 nan 0.000 0.451 71 N N 1.195 119.867 118.700 -0.045 0.000 2.482 71 N HA -0.033 5.125 4.740 0.696 0.000 0.260 71 N C -0.076 175.417 175.510 -0.028 0.000 1.236 71 N CA 0.099 53.133 53.050 -0.026 0.000 0.938 71 N CB 0.772 39.260 38.487 0.001 0.000 1.128 71 N HN 0.388 nan 8.380 nan 0.000 0.448 72 D N 1.164 121.552 120.400 -0.020 0.000 2.350 72 D HA -0.083 4.974 4.640 0.696 0.000 0.216 72 D C 0.045 176.349 176.300 0.007 0.000 0.968 72 D CA 0.888 54.882 54.000 -0.011 0.000 0.894 72 D CB 0.136 40.935 40.800 -0.003 0.000 0.909 72 D HN 0.440 nan 8.370 nan 0.000 0.520 73 N N 0.880 119.589 118.700 0.014 0.000 2.273 73 N HA 0.019 5.177 4.740 0.696 0.000 0.231 73 N C -0.451 175.078 175.510 0.031 0.000 1.134 73 N CA 0.019 53.086 53.050 0.027 0.000 0.856 73 N CB 0.626 39.133 38.487 0.033 0.000 1.068 73 N HN 0.056 nan 8.380 nan 0.000 0.510 74 D N -0.061 120.355 120.400 0.027 0.000 2.268 74 D HA 0.233 5.290 4.640 0.696 0.000 0.249 74 D C -0.302 176.020 176.300 0.036 0.000 1.008 74 D CA -0.283 53.749 54.000 0.053 0.000 0.939 74 D CB 1.026 41.844 40.800 0.031 0.000 1.170 74 D HN -0.064 nan 8.370 nan 0.000 0.468 75 N N 0.901 119.651 118.700 0.084 0.000 2.499 75 N HA 0.383 5.540 4.740 0.696 0.000 0.281 75 N C -0.486 175.087 175.510 0.104 0.000 1.098 75 N CA -0.049 53.043 53.050 0.070 0.000 0.979 75 N CB 1.087 39.654 38.487 0.133 0.000 1.121 75 N HN 0.308 nan 8.380 nan 0.000 0.466 76 I N 1.910 122.555 120.570 0.125 0.000 2.498 76 I HA 0.409 4.996 4.170 0.696 0.000 0.290 76 I C -1.233 175.109 176.117 0.375 0.000 1.032 76 I CA -0.692 60.707 61.300 0.165 0.000 1.073 76 I CB 1.505 39.542 38.000 0.063 0.000 1.251 76 I HN 0.267 nan 8.210 nan 0.000 0.426 77 F N 8.000 128.097 119.950 0.245 0.000 2.607 77 F HA 0.707 5.645 4.527 0.685 0.000 0.322 77 F C -1.372 174.724 175.800 0.493 0.000 1.176 77 F CA -0.677 57.506 58.000 0.305 0.000 0.977 77 F CB 1.471 40.609 39.000 0.230 0.000 1.242 77 F HN 0.268 nan 8.300 nan 0.000 0.465 78 L N 1.905 123.092 121.223 -0.059 0.000 2.630 78 L HA 0.873 5.630 4.340 0.696 0.000 0.258 78 L C -1.289 175.577 176.870 -0.006 0.000 1.072 78 L CA -0.997 53.964 54.840 0.201 0.000 0.885 78 L CB 1.974 44.232 42.059 0.331 0.000 1.502 78 L HN 0.420 nan 8.230 nan 0.000 0.406 79 S N 0.254 116.062 115.700 0.179 0.000 2.745 79 S HA 0.571 5.458 4.470 0.696 0.000 0.283 79 S C -2.087 172.519 174.600 0.010 0.000 1.170 79 S CA -1.184 56.981 58.200 -0.059 0.000 1.119 79 S CB 1.220 64.289 63.200 -0.217 0.000 1.035 79 S HN 0.629 nan 8.310 nan 0.000 0.483 80 P HA -0.050 nan 4.420 nan 0.000 0.221 80 P C 1.569 178.985 177.300 0.193 0.000 1.150 80 P CA 0.240 63.430 63.100 0.151 0.000 0.800 80 P CB 0.121 31.938 31.700 0.195 0.000 0.787 81 L N 0.568 121.863 121.223 0.120 0.000 1.976 81 L HA -0.142 4.616 4.340 0.696 0.000 0.209 81 L C 2.714 179.701 176.870 0.196 0.000 1.071 81 L CA 2.250 57.197 54.840 0.179 0.000 0.746 81 L CB -1.759 40.367 42.059 0.112 0.000 0.890 81 L HN -0.034 nan 8.230 nan 0.000 0.432 82 S N -0.545 115.234 115.700 0.133 0.000 2.368 82 S HA -0.267 4.620 4.470 0.696 0.000 0.226 82 S C 2.107 176.804 174.600 0.162 0.000 1.044 82 S CA 2.112 60.399 58.200 0.145 0.000 1.062 82 S CB -0.572 62.745 63.200 0.195 0.000 0.931 82 S HN 0.446 nan 8.310 nan 0.000 0.440 83 I N 0.969 121.656 120.570 0.195 0.000 2.118 83 I HA -0.209 4.379 4.170 0.696 0.000 0.241 83 I C 2.749 178.984 176.117 0.197 0.000 1.070 83 I CA 1.604 63.037 61.300 0.223 0.000 1.327 83 I CB -0.754 37.312 38.000 0.111 0.000 1.034 83 I HN 0.311 nan 8.210 nan 0.000 0.405 84 S N 0.222 116.008 115.700 0.143 0.000 2.359 84 S HA -0.196 4.691 4.470 0.696 0.000 0.224 84 S C 2.052 176.727 174.600 0.125 0.000 1.035 84 S CA 2.108 60.363 58.200 0.091 0.000 1.018 84 S CB -0.451 62.924 63.200 0.292 0.000 0.876 84 S HN 0.496 nan 8.310 nan 0.000 0.448 85 T N 2.516 117.103 114.554 0.055 0.000 2.652 85 T HA -0.144 4.624 4.350 0.696 0.000 0.267 85 T C 2.127 176.576 174.700 -0.418 0.000 1.039 85 T CA 1.425 63.280 62.100 -0.408 0.000 1.153 85 T CB -0.700 67.959 68.868 -0.348 0.000 0.863 85 T HN 0.477 nan 8.240 nan 0.000 0.428 86 A N 0.917 123.590 122.820 -0.245 0.000 1.883 86 A HA -0.051 4.686 4.320 0.696 0.000 0.217 86 A C 2.028 179.363 177.584 -0.415 0.000 1.186 86 A CA 1.555 53.406 52.037 -0.310 0.000 0.624 86 A CB -1.089 17.785 19.000 -0.210 0.000 0.822 86 A HN 0.480 nan 8.150 nan 0.000 0.444 87 F N 0.010 119.742 119.950 -0.363 0.000 2.234 87 F HA -0.013 4.933 4.527 0.698 0.000 0.299 87 F C 2.719 178.291 175.800 -0.379 0.000 1.087 87 F CA 0.816 58.537 58.000 -0.465 0.000 1.340 87 F CB -0.376 38.097 39.000 -0.879 0.000 1.031 87 F HN 0.263 nan 8.300 nan 0.000 0.500 88 A N -0.065 122.648 122.820 -0.178 0.000 1.898 88 A HA -0.196 4.542 4.320 0.696 0.000 0.216 88 A C 2.214 179.745 177.584 -0.089 0.000 1.181 88 A CA 1.612 53.607 52.037 -0.070 0.000 0.620 88 A CB -0.728 18.309 19.000 0.063 0.000 0.819 88 A HN 0.325 nan 8.150 nan 0.000 0.442 89 M N -0.616 118.712 119.600 -0.453 0.000 2.080 89 M HA -0.150 4.747 4.480 0.696 0.000 0.260 89 M C 2.250 178.458 176.300 -0.154 0.000 1.068 89 M CA 2.110 57.129 55.300 -0.468 0.000 1.109 89 M CB -0.763 31.461 32.600 -0.626 0.000 1.342 89 M HN 0.440 nan 8.290 nan 0.000 0.405 90 T N 0.379 114.812 114.554 -0.202 0.000 2.720 90 T HA -0.193 4.574 4.350 0.696 0.000 0.268 90 T C 1.755 176.432 174.700 -0.038 0.000 1.037 90 T CA 1.413 63.424 62.100 -0.149 0.000 1.144 90 T CB -0.350 68.348 68.868 -0.284 0.000 0.864 90 T HN 0.369 nan 8.240 nan 0.000 0.444 91 K N 1.176 121.582 120.400 0.011 0.000 2.173 91 K HA -0.135 4.603 4.320 0.696 0.000 0.207 91 K C 2.236 178.923 176.600 0.146 0.000 1.046 91 K CA 1.104 57.444 56.287 0.088 0.000 0.929 91 K CB -0.533 32.018 32.500 0.084 0.000 0.720 91 K HN 0.362 nan 8.250 nan 0.000 0.453 92 L N 0.133 121.454 121.223 0.162 0.000 1.997 92 L HA -0.210 4.548 4.340 0.696 0.000 0.216 92 L C 2.429 179.339 176.870 0.066 0.000 1.074 92 L CA 1.849 56.740 54.840 0.085 0.000 0.763 92 L CB -0.712 41.415 42.059 0.113 0.000 0.890 92 L HN 0.444 nan 8.230 nan 0.000 0.434 93 G N -1.263 107.534 108.800 -0.004 0.000 2.920 93 G HA2 0.252 4.630 3.960 0.696 0.000 0.208 93 G HA3 0.252 4.630 3.960 0.696 0.000 0.208 93 G C 0.585 175.454 174.900 -0.051 0.000 1.159 93 G CA 0.378 45.413 45.100 -0.109 0.000 0.784 93 G HN 0.402 nan 8.290 nan 0.000 0.535 94 A N -0.911 121.908 122.820 -0.002 0.000 2.332 94 A HA 0.611 5.349 4.320 0.696 0.000 0.258 94 A C -0.214 177.392 177.584 0.037 0.000 1.087 94 A CA -0.134 51.913 52.037 0.016 0.000 0.802 94 A CB 0.648 19.668 19.000 0.034 0.000 1.042 94 A HN 0.589 nan 8.150 nan 0.000 0.489 95 c N 0.950 119.574 118.600 0.040 0.000 3.312 95 c HA 0.605 5.592 4.570 0.696 0.000 0.332 95 c C 0.361 174.486 174.090 0.057 0.000 1.340 95 c CA 0.084 56.444 56.329 0.052 0.000 1.265 95 c CB 0.010 42.539 42.510 0.032 0.000 1.563 95 c HN 1.309 nan 8.230 nan 0.000 0.471 96 N N 1.221 119.960 118.700 0.066 0.000 1.192 96 N HA -0.205 4.953 4.740 0.696 0.000 0.127 96 N C 0.013 175.569 175.510 0.077 0.000 0.811 96 N CA 1.603 54.691 53.050 0.064 0.000 0.897 96 N CB -0.659 37.855 38.487 0.046 0.000 1.110 96 N HN 0.855 nan 8.380 nan 0.000 0.573 97 D N -0.647 119.792 120.400 0.065 0.000 2.269 97 D HA 0.009 5.066 4.640 0.696 0.000 0.208 97 D C 1.457 177.800 176.300 0.073 0.000 0.963 97 D CA 1.496 55.539 54.000 0.071 0.000 0.864 97 D CB -0.508 40.327 40.800 0.058 0.000 0.936 97 D HN 0.461 nan 8.370 nan 0.000 0.505 98 T N 0.978 115.568 114.554 0.061 0.000 2.857 98 T HA -0.101 4.667 4.350 0.696 0.000 0.266 98 T C 1.888 176.629 174.700 0.068 0.000 1.048 98 T CA 0.392 62.523 62.100 0.052 0.000 1.139 98 T CB -0.065 68.821 68.868 0.029 0.000 0.874 98 T HN 0.067 nan 8.240 nan 0.000 0.455 99 L N 0.924 122.195 121.223 0.079 0.000 2.131 99 L HA 0.111 4.868 4.340 0.696 0.000 0.206 99 L C 2.439 179.376 176.870 0.110 0.000 1.087 99 L CA 1.629 56.523 54.840 0.090 0.000 0.767 99 L CB -0.636 41.483 42.059 0.099 0.000 0.917 99 L HN 0.042 nan 8.230 nan 0.000 0.441 100 Q N -0.336 119.552 119.800 0.146 0.000 2.046 100 Q HA -0.225 4.533 4.340 0.696 0.000 0.200 100 Q C 2.262 178.350 176.000 0.145 0.000 0.975 100 Q CA 2.025 57.945 55.803 0.195 0.000 0.836 100 Q CB -0.224 28.630 28.738 0.193 0.000 0.896 100 Q HN 0.634 nan 8.270 nan 0.000 0.428 101 Q N -0.443 119.428 119.800 0.118 0.000 2.061 101 Q HA -0.175 4.583 4.340 0.696 0.000 0.204 101 Q C 2.160 178.236 176.000 0.126 0.000 0.984 101 Q CA 1.676 57.543 55.803 0.105 0.000 0.846 101 Q CB -0.212 28.581 28.738 0.092 0.000 0.902 101 Q HN 0.372 nan 8.270 nan 0.000 0.421 102 L N -0.242 121.074 121.223 0.155 0.000 2.017 102 L HA -0.228 4.530 4.340 0.696 0.000 0.208 102 L C 2.524 179.563 176.870 0.282 0.000 1.073 102 L CA 0.821 55.814 54.840 0.255 0.000 0.745 102 L CB -0.397 41.783 42.059 0.200 0.000 0.894 102 L HN 0.357 nan 8.230 nan 0.000 0.432 103 M N -0.446 119.246 119.600 0.154 0.000 2.073 103 M HA -0.259 4.638 4.480 0.696 0.000 0.258 103 M C 2.191 178.556 176.300 0.108 0.000 1.070 103 M CA 1.976 57.326 55.300 0.083 0.000 1.103 103 M CB -1.074 31.341 32.600 -0.308 0.000 1.321 103 M HN 0.274 nan 8.290 nan 0.000 0.405 104 E N -0.226 120.034 120.200 0.100 0.000 2.017 104 E HA -0.141 4.626 4.350 0.696 0.000 0.193 104 E C 2.099 178.704 176.600 0.009 0.000 0.997 104 E CA 1.347 57.790 56.400 0.071 0.000 0.804 104 E CB -0.277 29.472 29.700 0.081 0.000 0.757 104 E HN 0.201 nan 8.360 nan 0.000 0.448 105 V N 0.700 120.607 119.914 -0.012 0.000 2.277 105 V HA -0.278 4.260 4.120 0.696 0.000 0.253 105 V C 1.797 177.687 176.094 -0.339 0.000 1.067 105 V CA 1.843 64.047 62.300 -0.160 0.000 1.047 105 V CB -0.504 31.187 31.823 -0.220 0.000 0.649 105 V HN 0.241 nan 8.190 nan 0.000 0.447 106 F N -0.176 119.600 119.950 -0.290 0.000 2.811 106 F HA 0.186 5.131 4.527 0.697 0.000 0.301 106 F C 1.342 176.734 175.800 -0.679 0.000 1.151 106 F CA 0.128 57.731 58.000 -0.661 0.000 1.412 106 F CB 0.056 38.427 39.000 -1.048 0.000 1.113 106 F HN 0.018 nan 8.300 nan 0.000 0.579 107 K N -1.819 118.436 120.400 -0.241 0.000 3.391 107 K HA -0.227 4.511 4.320 0.696 0.000 0.307 107 K C 0.659 177.193 176.600 -0.110 0.000 1.304 107 K CA 0.549 56.746 56.287 -0.149 0.000 0.904 107 K CB -2.780 29.654 32.500 -0.109 0.000 1.293 107 K HN 0.284 nan 8.250 nan 0.000 0.470 108 F N 1.652 121.604 119.950 0.003 0.000 2.365 108 F HA -0.085 4.862 4.527 0.700 0.000 0.300 108 F C 2.050 177.811 175.800 -0.065 0.000 1.090 108 F CA 1.545 59.507 58.000 -0.063 0.000 1.408 108 F CB -0.223 38.706 39.000 -0.118 0.000 1.060 108 F HN 0.193 nan 8.300 nan 0.000 0.534 109 D N -1.144 119.345 120.400 0.147 0.000 2.339 109 D HA -0.056 5.001 4.640 0.696 0.000 0.217 109 D C 1.300 177.697 176.300 0.161 0.000 1.050 109 D CA 0.916 55.050 54.000 0.224 0.000 0.856 109 D CB -1.243 39.745 40.800 0.314 0.000 0.922 109 D HN 0.302 nan 8.370 nan 0.000 0.518 110 T N -0.710 113.900 114.554 0.093 0.000 3.312 110 T HA 0.381 5.149 4.350 0.696 0.000 0.251 110 T C 0.899 175.618 174.700 0.032 0.000 1.012 110 T CA -0.650 61.480 62.100 0.050 0.000 0.925 110 T CB -1.113 67.763 68.868 0.014 0.000 1.049 110 T HN 0.354 nan 8.240 nan 0.000 0.583 111 I N -2.607 117.996 120.570 0.054 0.000 3.174 111 I HA 0.690 5.278 4.170 0.696 0.000 0.313 111 I C 0.083 176.231 176.117 0.052 0.000 1.155 111 I CA -1.660 59.660 61.300 0.032 0.000 0.977 111 I CB 1.708 39.711 38.000 0.005 0.000 1.248 111 I HN 0.056 nan 8.210 nan 0.000 0.453 112 S N 0.529 116.249 115.700 0.032 0.000 2.550 112 S HA -0.032 4.856 4.470 0.696 0.000 0.285 112 S C 0.881 175.509 174.600 0.045 0.000 1.326 112 S CA 0.296 58.515 58.200 0.032 0.000 1.037 112 S CB 0.787 63.996 63.200 0.015 0.000 0.838 112 S HN 0.896 nan 8.310 nan 0.000 0.519 113 E N 1.581 121.809 120.200 0.046 0.000 2.048 113 E HA -0.277 4.491 4.350 0.696 0.000 0.202 113 E C 2.032 178.669 176.600 0.063 0.000 1.021 113 E CA 1.917 58.353 56.400 0.059 0.000 0.825 113 E CB -0.258 29.464 29.700 0.035 0.000 0.756 113 E HN 0.840 nan 8.360 nan 0.000 0.454 114 K N -0.308 120.113 120.400 0.034 0.000 2.009 114 K HA -0.149 4.588 4.320 0.696 0.000 0.210 114 K C 2.127 178.744 176.600 0.027 0.000 1.049 114 K CA 2.120 58.428 56.287 0.036 0.000 0.929 114 K CB -0.184 32.331 32.500 0.023 0.000 0.714 114 K HN 0.083 nan 8.250 nan 0.000 0.440 115 T N 0.224 114.739 114.554 -0.065 0.000 2.684 115 T HA -0.155 4.612 4.350 0.696 0.000 0.267 115 T C 2.047 176.748 174.700 0.001 0.000 1.036 115 T CA 1.602 63.621 62.100 -0.136 0.000 1.148 115 T CB -0.430 68.315 68.868 -0.205 0.000 0.863 115 T HN 0.249 nan 8.240 nan 0.000 0.436 116 S N 0.859 116.587 115.700 0.047 0.000 2.359 116 S HA -0.165 4.723 4.470 0.696 0.000 0.224 116 S C 1.643 176.300 174.600 0.096 0.000 1.035 116 S CA 1.282 59.537 58.200 0.092 0.000 1.018 116 S CB -0.551 62.794 63.200 0.242 0.000 0.876 116 S HN 0.411 nan 8.310 nan 0.000 0.448 117 D N 0.544 121.031 120.400 0.145 0.000 2.378 117 D HA 0.046 5.103 4.640 0.696 0.000 0.227 117 D C 0.719 177.094 176.300 0.126 0.000 1.012 117 D CA 0.564 54.652 54.000 0.146 0.000 0.905 117 D CB 0.088 40.967 40.800 0.132 0.000 0.895 117 D HN 0.427 nan 8.370 nan 0.000 0.532 118 Q N 0.195 120.084 119.800 0.149 0.000 2.144 118 Q HA 0.136 4.893 4.340 0.696 0.000 0.305 118 Q C 1.464 177.615 176.000 0.252 0.000 0.876 118 Q CA -0.325 55.626 55.803 0.245 0.000 1.130 118 Q CB 1.117 30.102 28.738 0.412 0.000 1.267 118 Q HN 0.151 nan 8.270 nan 0.000 0.433 119 I N 0.328 120.871 120.570 -0.045 0.000 2.074 119 I HA -0.361 4.227 4.170 0.696 0.000 0.238 119 I C 1.905 177.951 176.117 -0.118 0.000 1.037 119 I CA 2.113 63.264 61.300 -0.248 0.000 1.301 119 I CB -1.308 36.256 38.000 -0.726 0.000 1.016 119 I HN 0.432 nan 8.210 nan 0.000 0.400 120 H N -0.212 118.903 119.070 0.076 0.000 2.289 120 H HA -0.258 4.716 4.556 0.696 0.000 0.294 120 H C 2.062 177.348 175.328 -0.069 0.000 1.095 120 H CA 2.111 58.166 56.048 0.012 0.000 1.256 120 H CB -0.842 28.882 29.762 -0.062 0.000 1.359 120 H HN 0.291 nan 8.280 nan 0.000 0.487 121 F N 0.884 120.805 119.950 -0.048 0.000 2.065 121 F HA -0.255 4.689 4.527 0.696 0.000 0.298 121 F C 1.769 177.355 175.800 -0.357 0.000 1.112 121 F CA 1.418 59.260 58.000 -0.264 0.000 1.212 121 F CB -0.513 38.244 39.000 -0.405 0.000 0.975 121 F HN 0.024 nan 8.300 nan 0.000 0.476 122 F N -1.215 118.785 119.950 0.084 0.000 2.216 122 F HA -0.153 4.791 4.527 0.696 0.000 0.300 122 F C 2.193 177.978 175.800 -0.025 0.000 1.085 122 F CA 0.970 58.974 58.000 0.008 0.000 1.326 122 F CB -1.079 37.968 39.000 0.078 0.000 1.027 122 F HN -0.015 nan 8.300 nan 0.000 0.497 123 F N 0.645 120.603 119.950 0.013 0.000 2.146 123 F HA -0.112 4.832 4.527 0.695 0.000 0.298 123 F C 2.419 178.177 175.800 -0.070 0.000 1.096 123 F CA 0.799 58.812 58.000 0.022 0.000 1.275 123 F CB -1.042 38.016 39.000 0.096 0.000 1.008 123 F HN -0.064 nan 8.300 nan 0.000 0.480 124 A N -0.058 122.741 122.820 -0.036 0.000 1.877 124 A HA -0.188 4.550 4.320 0.696 0.000 0.216 124 A C 2.377 179.860 177.584 -0.167 0.000 1.186 124 A CA 1.528 53.454 52.037 -0.185 0.000 0.620 124 A CB -0.533 18.228 19.000 -0.399 0.000 0.822 124 A HN 0.154 nan 8.150 nan 0.000 0.443 125 K N -0.581 119.644 120.400 -0.292 0.000 1.991 125 K HA -0.155 4.582 4.320 0.696 0.000 0.212 125 K C 1.976 178.565 176.600 -0.019 0.000 1.049 125 K CA 1.563 57.736 56.287 -0.190 0.000 0.932 125 K CB -1.098 31.289 32.500 -0.189 0.000 0.717 125 K HN 0.459 nan 8.250 nan 0.000 0.441 126 L N 2.363 123.618 121.223 0.053 0.000 2.043 126 L HA -0.222 4.535 4.340 0.696 0.000 0.212 126 L C 1.586 178.489 176.870 0.056 0.000 1.075 126 L CA 1.850 56.730 54.840 0.067 0.000 0.752 126 L CB -0.651 41.440 42.059 0.052 0.000 0.891 126 L HN 0.180 nan 8.230 nan 0.000 0.432 127 N N -0.847 117.941 118.700 0.146 0.000 2.188 127 N HA -0.168 4.989 4.740 0.696 0.000 0.184 127 N C 1.920 177.469 175.510 0.065 0.000 1.018 127 N CA 1.671 54.810 53.050 0.150 0.000 0.858 127 N CB -0.987 37.733 38.487 0.388 0.000 0.989 127 N HN 0.454 nan 8.380 nan 0.000 0.426 128 c N 0.962 119.588 118.600 0.043 0.000 2.413 128 c HA -0.069 4.919 4.570 0.696 0.000 0.276 128 c C 2.792 176.883 174.090 0.002 0.000 1.236 128 c CA 0.433 56.778 56.329 0.027 0.000 1.735 128 c CB -0.991 41.511 42.510 -0.013 0.000 2.031 128 c HN 0.467 nan 8.230 nan 0.000 0.474 129 R N 0.151 120.639 120.500 -0.020 0.000 2.105 129 R HA -0.094 4.664 4.340 0.696 0.000 0.239 129 R C 2.038 178.285 176.300 -0.088 0.000 1.135 129 R CA 1.325 57.409 56.100 -0.026 0.000 0.967 129 R CB -0.242 30.058 30.300 -0.001 0.000 0.861 129 R HN 0.545 nan 8.270 nan 0.000 0.442 130 L N -1.320 119.760 121.223 -0.237 0.000 2.007 130 L HA -0.154 4.604 4.340 0.696 0.000 0.205 130 L C 1.862 178.495 176.870 -0.395 0.000 1.073 130 L CA 1.315 55.883 54.840 -0.453 0.000 0.744 130 L CB -0.438 41.085 42.059 -0.893 0.000 0.898 130 L HN 0.227 nan 8.230 nan 0.000 0.435 131 Y N -1.347 119.005 120.300 0.086 0.000 2.503 131 Y HA 0.144 5.111 4.550 0.695 0.000 0.278 131 Y C 1.402 177.340 175.900 0.064 0.000 1.111 131 Y CA -0.114 58.035 58.100 0.082 0.000 1.270 131 Y CB -0.043 38.465 38.460 0.079 0.000 1.063 131 Y HN -0.054 nan 8.280 nan 0.000 0.548 132 R N 2.222 122.812 120.500 0.151 0.000 3.585 132 R HA 0.174 4.932 4.340 0.696 0.000 0.324 132 R C -0.429 175.910 176.300 0.066 0.000 1.372 132 R CA -0.225 55.938 56.100 0.105 0.000 1.291 132 R CB 0.033 30.387 30.300 0.090 0.000 1.470 132 R HN 0.221 nan 8.270 nan 0.000 0.633 133 K N -0.976 119.462 120.400 0.065 0.000 2.206 133 K HA 0.410 5.148 4.320 0.696 0.000 0.264 133 K C 0.387 177.019 176.600 0.054 0.000 0.967 133 K CA -0.468 55.850 56.287 0.051 0.000 0.844 133 K CB 1.934 34.460 32.500 0.044 0.000 1.099 133 K HN -0.010 nan 8.250 nan 0.000 0.441 134 A N 2.914 125.761 122.820 0.046 0.000 2.259 134 A HA -0.136 4.602 4.320 0.696 0.000 0.212 134 A C 0.738 178.348 177.584 0.044 0.000 1.178 134 A CA 1.025 53.087 52.037 0.042 0.000 0.734 134 A CB -0.696 18.325 19.000 0.035 0.000 0.774 134 A HN 0.830 nan 8.150 nan 0.000 0.481 135 N N 0.207 118.937 118.700 0.050 0.000 2.644 135 N HA 0.079 5.237 4.740 0.696 0.000 0.313 135 N C -0.783 174.765 175.510 0.063 0.000 1.863 135 N CA -0.266 52.815 53.050 0.052 0.000 0.918 135 N CB -0.007 38.511 38.487 0.050 0.000 1.320 135 N HN 0.111 nan 8.380 nan 0.000 0.490 136 K N 0.316 120.754 120.400 0.064 0.000 2.511 136 K HA 0.042 4.780 4.320 0.696 0.000 0.280 136 K C 0.265 176.909 176.600 0.073 0.000 1.008 136 K CA 0.505 56.836 56.287 0.073 0.000 1.050 136 K CB 0.641 33.180 32.500 0.065 0.000 0.889 136 K HN 0.331 nan 8.250 nan 0.000 0.484 137 S N 0.848 116.600 115.700 0.088 0.000 2.807 137 S HA 0.050 4.938 4.470 0.696 0.000 0.247 137 S C 0.038 174.685 174.600 0.079 0.000 1.078 137 S CA -0.218 58.037 58.200 0.092 0.000 0.867 137 S CB 0.549 63.823 63.200 0.122 0.000 0.797 137 S HN 0.606 nan 8.310 nan 0.000 0.515 138 S N 1.590 117.343 115.700 0.087 0.000 2.568 138 S HA 0.539 5.426 4.470 0.696 0.000 0.302 138 S C -0.687 173.932 174.600 0.032 0.000 1.082 138 S CA -0.887 57.324 58.200 0.019 0.000 1.009 138 S CB 1.935 65.152 63.200 0.028 0.000 1.069 138 S HN 0.354 nan 8.310 nan 0.000 0.500 139 K N 1.278 121.649 120.400 -0.047 0.000 2.276 139 K HA 0.490 5.228 4.320 0.696 0.000 0.285 139 K C -1.434 175.232 176.600 0.109 0.000 1.062 139 K CA -0.525 55.784 56.287 0.037 0.000 0.918 139 K CB 0.272 32.792 32.500 0.033 0.000 1.055 139 K HN 0.561 nan 8.250 nan 0.000 0.477 140 L N 6.404 127.766 121.223 0.232 0.000 2.518 140 L HA 0.326 5.084 4.340 0.696 0.000 0.262 140 L C -1.387 175.739 176.870 0.427 0.000 0.982 140 L CA -0.554 54.504 54.840 0.363 0.000 0.873 140 L CB 1.594 43.893 42.059 0.399 0.000 1.198 140 L HN 0.519 nan 8.230 nan 0.000 0.427 141 V N 0.966 121.074 119.914 0.323 0.000 3.113 141 V HA 0.980 5.518 4.120 0.696 0.000 0.316 141 V C -0.386 175.582 176.094 -0.211 0.000 1.125 141 V CA -0.470 61.894 62.300 0.107 0.000 1.026 141 V CB 1.825 33.692 31.823 0.073 0.000 1.080 141 V HN 0.737 nan 8.190 nan 0.000 0.444 142 S N 0.398 115.781 115.700 -0.527 0.000 2.550 142 S HA 0.891 5.779 4.470 0.696 0.000 0.270 142 S C -0.920 173.507 174.600 -0.289 0.000 1.145 142 S CA 0.102 57.968 58.200 -0.556 0.000 0.852 142 S CB 1.658 64.181 63.200 -1.128 0.000 1.119 142 S HN 2.285 nan 8.310 nan 0.000 0.465 143 A N 3.515 126.250 122.820 -0.142 0.000 2.437 143 A HA 0.769 5.507 4.320 0.696 0.000 0.293 143 A C -1.162 176.539 177.584 0.195 0.000 1.038 143 A CA -0.765 51.284 52.037 0.020 0.000 0.708 143 A CB 1.184 20.172 19.000 -0.020 0.000 1.251 143 A HN 0.698 nan 8.150 nan 0.000 0.409 144 N N 0.522 119.334 118.700 0.187 0.000 2.432 144 N HA 0.865 6.023 4.740 0.696 0.000 0.292 144 N C -0.453 175.063 175.510 0.011 0.000 1.193 144 N CA -0.408 52.713 53.050 0.119 0.000 0.878 144 N CB 1.916 40.392 38.487 -0.018 0.000 1.252 144 N HN 0.777 nan 8.380 nan 0.000 0.520 145 R N -0.253 120.136 120.500 -0.184 0.000 2.739 145 R HA 0.448 5.206 4.340 0.696 0.000 0.266 145 R C -1.987 174.017 176.300 -0.494 0.000 1.044 145 R CA -0.465 55.315 56.100 -0.534 0.000 0.885 145 R CB 0.895 30.479 30.300 -1.194 0.000 1.260 145 R HN 0.451 nan 8.270 nan 0.000 0.477 146 L N 3.433 124.257 121.223 -0.666 0.000 2.362 146 L HA 0.610 5.367 4.340 0.696 0.000 0.275 146 L C -1.068 175.356 176.870 -0.744 0.000 0.998 146 L CA -0.622 53.921 54.840 -0.496 0.000 0.820 146 L CB 1.624 43.436 42.059 -0.412 0.000 1.270 146 L HN 0.504 nan 8.230 nan 0.000 0.415 147 F N 1.212 121.033 119.950 -0.215 0.000 2.434 147 F HA 0.640 5.584 4.527 0.695 0.000 0.355 147 F C 0.687 176.471 175.800 -0.026 0.000 1.115 147 F CA -0.579 57.333 58.000 -0.145 0.000 1.010 147 F CB 2.032 41.019 39.000 -0.022 0.000 1.234 147 F HN 0.401 nan 8.300 nan 0.000 0.439 148 G N 1.504 110.258 108.800 -0.077 0.000 2.481 148 G HA2 0.367 4.745 3.960 0.696 0.000 0.315 148 G HA3 0.367 4.745 3.960 0.696 0.000 0.315 148 G C -1.574 173.356 174.900 0.049 0.000 1.231 148 G CA -0.757 44.349 45.100 0.011 0.000 0.968 148 G HN 0.455 nan 8.290 nan 0.000 0.482 149 D N 0.349 120.931 120.400 0.303 0.000 2.531 149 D HA -0.012 5.045 4.640 0.696 0.000 0.239 149 D C 1.538 177.895 176.300 0.094 0.000 1.144 149 D CA 0.324 54.380 54.000 0.093 0.000 0.869 149 D CB 0.937 41.910 40.800 0.287 0.000 1.160 149 D HN 0.349 nan 8.370 nan 0.000 0.484 150 K N 1.314 121.684 120.400 -0.049 0.000 2.160 150 K HA -0.178 4.559 4.320 0.696 0.000 0.206 150 K C 1.712 178.323 176.600 0.018 0.000 1.047 150 K CA 1.647 57.922 56.287 -0.021 0.000 0.930 150 K CB 0.045 32.507 32.500 -0.063 0.000 0.720 150 K HN 0.546 nan 8.250 nan 0.000 0.450 151 S N -0.184 115.527 115.700 0.019 0.000 2.528 151 S HA 0.102 4.989 4.470 0.696 0.000 0.219 151 S C 0.802 175.393 174.600 -0.015 0.000 0.985 151 S CA -0.216 57.987 58.200 0.005 0.000 0.914 151 S CB -0.136 63.065 63.200 0.001 0.000 0.776 151 S HN 0.048 nan 8.310 nan 0.000 0.526 152 L N 1.633 122.842 121.223 -0.024 0.000 2.466 152 L HA 0.376 5.134 4.340 0.696 0.000 0.257 152 L C -0.006 176.758 176.870 -0.176 0.000 1.189 152 L CA -0.287 54.447 54.840 -0.178 0.000 0.813 152 L CB 0.511 42.325 42.059 -0.409 0.000 1.118 152 L HN 0.003 nan 8.230 nan 0.000 0.471 153 T N 1.278 115.665 114.554 -0.279 0.000 2.842 153 T HA 0.468 5.236 4.350 0.696 0.000 0.308 153 T C -0.433 174.108 174.700 -0.265 0.000 1.041 153 T CA -0.311 61.699 62.100 -0.150 0.000 0.964 153 T CB 0.117 68.936 68.868 -0.082 0.000 0.972 153 T HN 0.085 nan 8.240 nan 0.000 0.460 154 F N 2.422 122.380 119.950 0.014 0.000 2.370 154 F HA 0.338 5.283 4.527 0.696 0.000 0.324 154 F C 1.277 177.106 175.800 0.048 0.000 1.116 154 F CA -1.007 57.017 58.000 0.040 0.000 1.123 154 F CB 0.621 39.671 39.000 0.083 0.000 1.238 154 F HN 0.370 nan 8.300 nan 0.000 0.536 155 N N 1.838 120.694 118.700 0.260 0.000 2.452 155 N HA -0.048 5.110 4.740 0.696 0.000 0.266 155 N C 0.715 176.344 175.510 0.198 0.000 1.209 155 N CA 0.367 53.523 53.050 0.176 0.000 0.929 155 N CB 0.630 39.201 38.487 0.140 0.000 1.063 155 N HN 0.693 nan 8.380 nan 0.000 0.472 156 E N 1.894 122.160 120.200 0.110 0.000 2.118 156 E HA -0.158 4.609 4.350 0.696 0.000 0.195 156 E C 1.051 177.676 176.600 0.042 0.000 0.992 156 E CA 1.666 58.105 56.400 0.064 0.000 0.804 156 E CB 0.218 29.939 29.700 0.034 0.000 0.741 156 E HN 0.689 nan 8.360 nan 0.000 0.458 157 T N 0.341 114.929 114.554 0.057 0.000 2.674 157 T HA -0.215 4.552 4.350 0.696 0.000 0.265 157 T C 1.561 176.287 174.700 0.044 0.000 1.039 157 T CA 1.398 63.521 62.100 0.037 0.000 1.150 157 T CB -0.588 68.307 68.868 0.045 0.000 0.864 157 T HN 0.279 nan 8.240 nan 0.000 0.427 158 Y N 2.183 122.472 120.300 -0.019 0.000 2.069 158 Y HA -0.284 4.683 4.550 0.695 0.000 0.278 158 Y C 2.525 178.396 175.900 -0.050 0.000 1.175 158 Y CA 1.626 59.708 58.100 -0.030 0.000 1.134 158 Y CB -0.710 37.752 38.460 0.003 0.000 0.965 158 Y HN 0.266 nan 8.280 nan 0.000 0.498 159 Q N -0.076 119.599 119.800 -0.209 0.000 1.985 159 Q HA -0.252 4.505 4.340 0.696 0.000 0.207 159 Q C 1.957 177.796 176.000 -0.268 0.000 0.996 159 Q CA 1.892 57.504 55.803 -0.319 0.000 0.851 159 Q CB -0.406 28.245 28.738 -0.145 0.000 0.921 159 Q HN 0.526 nan 8.270 nan 0.000 0.418 160 D N 0.583 120.893 120.400 -0.151 0.000 2.154 160 D HA -0.212 4.846 4.640 0.696 0.000 0.190 160 D C 1.874 178.092 176.300 -0.137 0.000 1.003 160 D CA 1.338 55.266 54.000 -0.121 0.000 0.849 160 D CB -0.434 40.324 40.800 -0.072 0.000 0.942 160 D HN 0.311 nan 8.370 nan 0.000 0.446 161 I N 0.676 121.160 120.570 -0.142 0.000 2.286 161 I HA -0.216 4.372 4.170 0.696 0.000 0.248 161 I C 2.219 178.226 176.117 -0.183 0.000 1.115 161 I CA 0.875 62.086 61.300 -0.147 0.000 1.392 161 I CB -0.208 37.715 38.000 -0.128 0.000 1.065 161 I HN -0.109 nan 8.210 nan 0.000 0.418 162 S N -0.076 115.474 115.700 -0.251 0.000 2.428 162 S HA -0.169 4.718 4.470 0.696 0.000 0.230 162 S C 1.882 176.387 174.600 -0.158 0.000 1.014 162 S CA 1.062 59.135 58.200 -0.212 0.000 0.957 162 S CB -0.109 62.795 63.200 -0.493 0.000 0.784 162 S HN 0.495 nan 8.310 nan 0.000 0.499 163 E N 0.812 120.900 120.200 -0.186 0.000 2.102 163 E HA 0.028 4.796 4.350 0.696 0.000 0.190 163 E C 2.019 178.549 176.600 -0.117 0.000 0.971 163 E CA 0.335 56.645 56.400 -0.150 0.000 0.821 163 E CB -0.112 29.497 29.700 -0.152 0.000 0.777 163 E HN 0.351 nan 8.360 nan 0.000 0.460 164 L N 0.289 121.438 121.223 -0.123 0.000 2.005 164 L HA -0.109 4.648 4.340 0.696 0.000 0.207 164 L C 2.202 178.981 176.870 -0.152 0.000 1.072 164 L CA 1.224 55.996 54.840 -0.113 0.000 0.744 164 L CB -0.153 41.848 42.059 -0.097 0.000 0.895 164 L HN 0.059 nan 8.230 nan 0.000 0.433 165 V N -1.436 118.346 119.914 -0.219 0.000 2.346 165 V HA -0.223 4.315 4.120 0.696 0.000 0.244 165 V C 1.679 177.476 176.094 -0.495 0.000 1.037 165 V CA 1.611 63.673 62.300 -0.396 0.000 1.029 165 V CB -0.595 30.894 31.823 -0.558 0.000 0.663 165 V HN 0.445 nan 8.190 nan 0.000 0.454 166 Y N -0.017 120.207 120.300 -0.126 0.000 2.467 166 Y HA 0.489 5.456 4.550 0.695 0.000 0.250 166 Y C 1.864 177.693 175.900 -0.118 0.000 1.155 166 Y CA 0.151 58.171 58.100 -0.134 0.000 1.249 166 Y CB 0.227 38.582 38.460 -0.175 0.000 1.146 166 Y HN 0.302 nan 8.280 nan 0.000 0.524 167 G N 0.688 109.486 108.800 -0.004 0.000 2.153 167 G HA2 -0.237 4.141 3.960 0.696 0.000 0.252 167 G HA3 -0.237 4.141 3.960 0.696 0.000 0.252 167 G C 0.297 175.163 174.900 -0.057 0.000 0.994 167 G CA 0.160 45.242 45.100 -0.030 0.000 0.698 167 G HN 0.610 nan 8.290 nan 0.000 0.521 168 A N 0.576 123.343 122.820 -0.089 0.000 2.650 168 A HA 0.614 5.352 4.320 0.696 0.000 0.320 168 A C 0.866 178.290 177.584 -0.266 0.000 1.466 168 A CA -0.057 51.868 52.037 -0.187 0.000 1.099 168 A CB 0.195 19.071 19.000 -0.207 0.000 1.136 168 A HN 0.426 nan 8.150 nan 0.000 0.532 169 K N 0.737 120.971 120.400 -0.276 0.000 2.187 169 K HA 0.273 5.011 4.320 0.696 0.000 0.247 169 K C -0.512 175.837 176.600 -0.419 0.000 1.019 169 K CA -0.166 55.943 56.287 -0.297 0.000 0.893 169 K CB 0.806 33.151 32.500 -0.258 0.000 1.025 169 K HN 0.627 nan 8.250 nan 0.000 0.500 170 L N 1.915 122.905 121.223 -0.388 0.000 2.276 170 L HA 0.165 4.922 4.340 0.696 0.000 0.286 170 L C -0.544 176.066 176.870 -0.433 0.000 1.024 170 L CA -0.233 54.333 54.840 -0.457 0.000 0.826 170 L CB 1.082 42.886 42.059 -0.425 0.000 1.211 170 L HN 0.508 nan 8.230 nan 0.000 0.422 171 Q N 7.085 126.550 119.800 -0.558 0.000 2.278 171 Q HA 0.457 5.215 4.340 0.696 0.000 0.257 171 Q C -2.464 173.367 176.000 -0.282 0.000 0.928 171 Q CA -1.997 53.554 55.803 -0.421 0.000 0.932 171 Q CB 1.689 30.115 28.738 -0.520 0.000 1.221 171 Q HN 0.346 nan 8.270 nan 0.000 0.434 172 P HA 0.239 nan 4.420 nan 0.000 0.287 172 P C -1.104 176.089 177.300 -0.179 0.000 1.294 172 P CA -0.031 62.971 63.100 -0.163 0.000 0.776 172 P CB 0.828 32.465 31.700 -0.105 0.000 0.889 173 L N 2.386 123.423 121.223 -0.311 0.000 2.323 173 L HA 0.435 5.192 4.340 0.696 0.000 0.265 173 L C 0.527 177.102 176.870 -0.492 0.000 1.012 173 L CA -0.795 53.808 54.840 -0.395 0.000 0.820 173 L CB 1.870 43.610 42.059 -0.533 0.000 1.334 173 L HN 0.198 nan 8.230 nan 0.000 0.427 174 D N 0.573 120.789 120.400 -0.307 0.000 2.563 174 D HA 0.157 5.215 4.640 0.696 0.000 0.222 174 D C 0.692 176.926 176.300 -0.111 0.000 1.145 174 D CA -0.090 53.800 54.000 -0.183 0.000 1.001 174 D CB 0.215 40.969 40.800 -0.078 0.000 1.049 174 D HN 0.203 nan 8.370 nan 0.000 0.515 175 F N 1.759 121.727 119.950 0.030 0.000 2.031 175 F HA -0.090 4.855 4.527 0.696 0.000 0.295 175 F C 2.531 178.342 175.800 0.019 0.000 1.133 175 F CA 0.828 58.841 58.000 0.023 0.000 1.188 175 F CB -0.829 38.189 39.000 0.030 0.000 0.974 175 F HN 0.258 nan 8.300 nan 0.000 0.473 176 K N 0.029 120.549 120.400 0.200 0.000 2.108 176 K HA -0.326 4.412 4.320 0.696 0.000 0.219 176 K C 1.922 178.568 176.600 0.077 0.000 1.054 176 K CA 2.628 58.983 56.287 0.113 0.000 0.945 176 K CB -0.281 32.265 32.500 0.076 0.000 0.728 176 K HN 0.398 nan 8.250 nan 0.000 0.462 177 E N -1.076 119.157 120.200 0.056 0.000 2.175 177 E HA 0.028 4.796 4.350 0.696 0.000 0.195 177 E C 0.173 176.797 176.600 0.041 0.000 0.934 177 E CA 0.160 56.583 56.400 0.039 0.000 0.870 177 E CB 0.413 30.127 29.700 0.022 0.000 0.838 177 E HN 0.152 nan 8.360 nan 0.000 0.474 178 N N 0.415 119.139 118.700 0.041 0.000 3.025 178 N HA 0.238 5.395 4.740 0.696 0.000 0.315 178 N C -0.008 175.548 175.510 0.076 0.000 1.511 178 N CA 0.001 53.075 53.050 0.040 0.000 1.097 178 N CB 0.895 39.390 38.487 0.014 0.000 1.395 178 N HN 0.127 nan 8.380 nan 0.000 0.511 179 A N 0.306 123.189 122.820 0.105 0.000 1.851 179 A HA -0.223 4.514 4.320 0.696 0.000 0.216 179 A C 2.077 179.726 177.584 0.108 0.000 1.195 179 A CA 1.600 53.729 52.037 0.153 0.000 0.622 179 A CB -0.434 18.629 19.000 0.106 0.000 0.831 179 A HN 0.429 nan 8.150 nan 0.000 0.444 180 E N -0.268 119.965 120.200 0.054 0.000 2.070 180 E HA -0.268 4.500 4.350 0.696 0.000 0.197 180 E C 2.193 178.807 176.600 0.023 0.000 1.004 180 E CA 1.964 58.380 56.400 0.026 0.000 0.805 180 E CB -0.359 29.348 29.700 0.011 0.000 0.744 180 E HN 0.693 nan 8.360 nan 0.000 0.451 181 Q N -0.331 119.485 119.800 0.026 0.000 2.224 181 Q HA -0.122 4.636 4.340 0.696 0.000 0.203 181 Q C 1.982 177.994 176.000 0.019 0.000 0.970 181 Q CA 1.558 57.369 55.803 0.014 0.000 0.865 181 Q CB -0.018 28.725 28.738 0.008 0.000 0.922 181 Q HN 0.253 nan 8.270 nan 0.000 0.445 182 S N 0.859 116.592 115.700 0.055 0.000 2.348 182 S HA -0.172 4.716 4.470 0.696 0.000 0.221 182 S C 1.806 176.439 174.600 0.054 0.000 1.033 182 S CA 1.284 59.530 58.200 0.077 0.000 1.010 182 S CB -0.397 62.935 63.200 0.220 0.000 0.891 182 S HN 0.436 nan 8.310 nan 0.000 0.442 183 R N 1.552 122.086 120.500 0.056 0.000 2.115 183 R HA -0.227 4.531 4.340 0.696 0.000 0.239 183 R C 2.378 178.640 176.300 -0.064 0.000 1.133 183 R CA 1.818 57.901 56.100 -0.029 0.000 0.935 183 R CB -0.793 29.480 30.300 -0.044 0.000 0.853 183 R HN 0.367 nan 8.270 nan 0.000 0.433 184 A N 0.670 123.466 122.820 -0.041 0.000 1.903 184 A HA -0.236 4.502 4.320 0.696 0.000 0.219 184 A C 2.446 180.008 177.584 -0.037 0.000 1.191 184 A CA 2.355 54.368 52.037 -0.040 0.000 0.638 184 A CB -1.042 17.943 19.000 -0.024 0.000 0.823 184 A HN 0.661 nan 8.150 nan 0.000 0.451 185 A N -0.372 122.429 122.820 -0.032 0.000 1.902 185 A HA -0.093 4.645 4.320 0.696 0.000 0.217 185 A C 2.148 179.699 177.584 -0.054 0.000 1.181 185 A CA 1.568 53.596 52.037 -0.015 0.000 0.623 185 A CB -0.620 18.378 19.000 -0.003 0.000 0.818 185 A HN 0.530 nan 8.150 nan 0.000 0.443 186 I N 0.079 120.521 120.570 -0.214 0.000 2.127 186 I HA -0.296 4.291 4.170 0.696 0.000 0.241 186 I C 2.182 178.219 176.117 -0.134 0.000 1.075 186 I CA 1.420 62.446 61.300 -0.456 0.000 1.334 186 I CB -0.507 37.100 38.000 -0.656 0.000 1.040 186 I HN 0.302 nan 8.210 nan 0.000 0.405 187 N N 0.894 119.539 118.700 -0.093 0.000 2.104 187 N HA -0.216 4.941 4.740 0.696 0.000 0.190 187 N C 1.766 177.269 175.510 -0.011 0.000 1.024 187 N CA 1.182 54.205 53.050 -0.046 0.000 0.853 187 N CB -0.356 38.092 38.487 -0.066 0.000 1.008 187 N HN 0.333 nan 8.380 nan 0.000 0.424 188 K N -0.457 119.946 120.400 0.005 0.000 2.103 188 K HA -0.176 4.561 4.320 0.696 0.000 0.207 188 K C 1.990 178.627 176.600 0.062 0.000 1.048 188 K CA 1.031 57.329 56.287 0.019 0.000 0.930 188 K CB -0.187 32.326 32.500 0.023 0.000 0.716 188 K HN 0.253 nan 8.250 nan 0.000 0.444 189 W N 0.795 122.072 121.300 -0.038 0.000 2.409 189 W HA -0.174 4.904 4.660 0.696 0.000 0.299 189 W C 1.594 178.111 176.519 -0.003 0.000 1.203 189 W CA 0.958 58.312 57.345 0.016 0.000 1.298 189 W CB -0.258 29.287 29.460 0.142 0.000 1.127 189 W HN -0.226 nan 8.180 nan 0.000 0.528 190 V N 0.394 120.360 119.914 0.086 0.000 2.332 190 V HA -0.342 4.195 4.120 0.696 0.000 0.248 190 V C 2.522 178.487 176.094 -0.215 0.000 1.055 190 V CA 2.231 64.466 62.300 -0.109 0.000 1.038 190 V CB -1.454 30.392 31.823 0.038 0.000 0.651 190 V HN 0.373 nan 8.190 nan 0.000 0.450 191 S N 0.182 115.791 115.700 -0.151 0.000 2.368 191 S HA -0.276 4.612 4.470 0.696 0.000 0.225 191 S C 2.073 176.534 174.600 -0.232 0.000 1.030 191 S CA 1.990 60.090 58.200 -0.166 0.000 0.999 191 S CB -0.672 62.456 63.200 -0.119 0.000 0.844 191 S HN 0.709 nan 8.310 nan 0.000 0.459 192 N N 0.765 119.306 118.700 -0.265 0.000 2.043 192 N HA -0.139 5.018 4.740 0.696 0.000 0.193 192 N C 1.432 176.702 175.510 -0.400 0.000 1.037 192 N CA 1.312 54.179 53.050 -0.305 0.000 0.851 192 N CB -0.211 38.095 38.487 -0.302 0.000 1.027 192 N HN 0.313 nan 8.380 nan 0.000 0.422 193 K N 0.067 120.132 120.400 -0.558 0.000 2.283 193 K HA -0.036 4.702 4.320 0.696 0.000 0.202 193 K C 1.308 177.678 176.600 -0.384 0.000 1.048 193 K CA 1.101 57.067 56.287 -0.534 0.000 0.948 193 K CB -0.390 31.642 32.500 -0.780 0.000 0.742 193 K HN 0.469 nan 8.250 nan 0.000 0.458 194 T N -0.857 113.501 114.554 -0.326 0.000 3.243 194 T HA 0.155 4.922 4.350 0.696 0.000 0.264 194 T C -0.239 174.236 174.700 -0.375 0.000 1.000 194 T CA -0.421 61.544 62.100 -0.226 0.000 0.901 194 T CB 0.103 68.941 68.868 -0.050 0.000 1.083 194 T HN -0.010 nan 8.240 nan 0.000 0.559 195 E N 1.127 121.025 120.200 -0.503 0.000 2.297 195 E HA -0.199 4.568 4.350 0.696 0.000 0.228 195 E C 1.084 177.510 176.600 -0.290 0.000 1.213 195 E CA 0.893 57.031 56.400 -0.437 0.000 0.712 195 E CB -2.137 27.201 29.700 -0.603 0.000 1.202 195 E HN 1.158 nan 8.360 nan 0.000 0.376 196 G N 0.425 109.076 108.800 -0.249 0.000 2.341 196 G HA2 -0.393 3.984 3.960 0.696 0.000 0.292 196 G HA3 -0.393 3.984 3.960 0.696 0.000 0.292 196 G C 0.969 175.712 174.900 -0.262 0.000 1.021 196 G CA 0.887 45.860 45.100 -0.212 0.000 0.905 196 G HN 0.266 nan 8.290 nan 0.000 0.508 197 R N -0.883 119.429 120.500 -0.313 0.000 2.167 197 R HA 0.260 5.017 4.340 0.696 0.000 0.201 197 R C 1.084 177.203 176.300 -0.302 0.000 1.024 197 R CA 0.496 56.273 56.100 -0.538 0.000 1.053 197 R CB 0.288 30.142 30.300 -0.744 0.000 0.987 197 R HN 0.442 nan 8.270 nan 0.000 0.493 198 I N 2.612 123.093 120.570 -0.148 0.000 2.388 198 I HA 0.144 4.732 4.170 0.696 0.000 0.281 198 I C 0.980 177.050 176.117 -0.079 0.000 1.046 198 I CA 0.052 61.318 61.300 -0.057 0.000 1.187 198 I CB 0.982 38.971 38.000 -0.017 0.000 1.351 198 I HN 0.046 nan 8.210 nan 0.000 0.472 199 T N -0.537 113.975 114.554 -0.070 0.000 3.022 199 T HA 0.087 4.854 4.350 0.696 0.000 0.250 199 T C 0.476 175.140 174.700 -0.059 0.000 1.060 199 T CA 0.092 62.150 62.100 -0.071 0.000 1.013 199 T CB 0.064 68.892 68.868 -0.066 0.000 0.982 199 T HN 0.515 nan 8.240 nan 0.000 0.508 200 D N 1.064 121.432 120.400 -0.054 0.000 3.007 200 D HA 0.169 5.226 4.640 0.696 0.000 0.363 200 D C 1.167 177.415 176.300 -0.087 0.000 1.474 200 D CA -0.408 53.550 54.000 -0.068 0.000 0.767 200 D CB -0.350 40.414 40.800 -0.060 0.000 1.227 200 D HN 0.224 nan 8.370 nan 0.000 0.471 201 V N 0.167 120.036 119.914 -0.076 0.000 2.231 201 V HA -0.213 4.324 4.120 0.696 0.000 0.250 201 V C 1.483 177.479 176.094 -0.164 0.000 1.058 201 V CA 1.168 63.423 62.300 -0.075 0.000 1.022 201 V CB -0.717 31.088 31.823 -0.030 0.000 0.640 201 V HN 0.357 nan 8.190 nan 0.000 0.445 202 I N 3.553 124.000 120.570 -0.204 0.000 2.396 202 I HA 0.239 4.826 4.170 0.696 0.000 0.289 202 I C -2.164 173.704 176.117 -0.415 0.000 1.056 202 I CA -1.729 59.334 61.300 -0.395 0.000 1.365 202 I CB 1.020 38.881 38.000 -0.232 0.000 1.407 202 I HN 0.199 nan 8.210 nan 0.000 0.509 203 P HA 0.130 nan 4.420 nan 0.000 0.284 203 P C -0.537 176.606 177.300 -0.261 0.000 1.253 203 P CA -0.466 62.400 63.100 -0.390 0.000 0.800 203 P CB 0.946 32.389 31.700 -0.428 0.000 0.961 204 S N 1.706 117.314 115.700 -0.153 0.000 2.643 204 S HA -0.123 4.765 4.470 0.696 0.000 0.310 204 S C 0.712 175.267 174.600 -0.076 0.000 1.253 204 S CA 0.249 58.392 58.200 -0.095 0.000 1.047 204 S CB -0.517 62.645 63.200 -0.063 0.000 0.767 204 S HN 0.610 nan 8.310 nan 0.000 0.498 205 E N -0.139 120.029 120.200 -0.052 0.000 4.028 205 E HA -0.277 4.491 4.350 0.696 0.000 0.343 205 E C 1.124 177.715 176.600 -0.014 0.000 0.700 205 E CA 1.192 57.577 56.400 -0.024 0.000 1.288 205 E CB -1.730 27.965 29.700 -0.009 0.000 1.677 205 E HN 0.827 nan 8.360 nan 0.000 0.424 206 A N -0.136 122.661 122.820 -0.038 0.000 1.929 206 A HA 0.171 4.908 4.320 0.696 0.000 0.216 206 A C 1.065 178.655 177.584 0.010 0.000 1.176 206 A CA 1.001 53.054 52.037 0.026 0.000 0.628 206 A CB 0.093 19.077 19.000 -0.027 0.000 0.816 206 A HN 0.251 nan 8.150 nan 0.000 0.444 207 I N 1.034 121.569 120.570 -0.057 0.000 2.385 207 I HA 0.285 4.872 4.170 0.696 0.000 0.294 207 I C 0.017 176.089 176.117 -0.076 0.000 0.988 207 I CA -0.602 60.620 61.300 -0.130 0.000 1.265 207 I CB 1.398 39.289 38.000 -0.181 0.000 1.388 207 I HN 0.582 nan 8.210 nan 0.000 0.480 208 N N 3.031 121.679 118.700 -0.086 0.000 3.479 208 N HA 0.214 5.372 4.740 0.696 0.000 0.336 208 N C 0.059 175.579 175.510 0.017 0.000 1.623 208 N CA -0.752 52.290 53.050 -0.014 0.000 0.759 208 N CB 0.192 38.681 38.487 0.004 0.000 2.016 208 N HN 0.373 nan 8.380 nan 0.000 0.637 209 E N -0.163 120.063 120.200 0.043 0.000 2.268 209 E HA 0.100 4.868 4.350 0.696 0.000 0.195 209 E C 1.037 177.677 176.600 0.066 0.000 0.995 209 E CA 1.065 57.505 56.400 0.068 0.000 0.836 209 E CB -0.441 29.294 29.700 0.058 0.000 0.763 209 E HN 0.551 nan 8.360 nan 0.000 0.491 210 L N 0.923 122.171 121.223 0.040 0.000 2.628 210 L HA 0.177 4.935 4.340 0.696 0.000 0.229 210 L C 0.121 176.995 176.870 0.006 0.000 1.137 210 L CA -0.175 54.688 54.840 0.038 0.000 0.909 210 L CB -0.195 41.894 42.059 0.050 0.000 1.137 210 L HN -0.072 nan 8.230 nan 0.000 0.470 211 T N 0.088 114.618 114.554 -0.040 0.000 2.853 211 T HA 0.091 4.858 4.350 0.696 0.000 0.298 211 T C 1.210 175.908 174.700 -0.003 0.000 0.978 211 T CA -0.096 61.897 62.100 -0.178 0.000 1.152 211 T CB 2.236 70.774 68.868 -0.551 0.000 0.914 211 T HN -0.111 nan 8.240 nan 0.000 0.539 212 V N 3.151 123.068 119.914 0.005 0.000 2.484 212 V HA 0.348 4.885 4.120 0.696 0.000 0.236 212 V C 0.329 176.654 176.094 0.384 0.000 1.062 212 V CA 0.392 62.812 62.300 0.200 0.000 1.081 212 V CB -0.068 31.814 31.823 0.098 0.000 0.751 212 V HN 0.699 nan 8.190 nan 0.000 0.484 213 L N -0.553 120.785 121.223 0.192 0.000 2.409 213 L HA 0.763 5.521 4.340 0.696 0.000 0.262 213 L C -1.381 175.528 176.870 0.066 0.000 0.992 213 L CA -0.361 54.612 54.840 0.222 0.000 0.817 213 L CB 2.364 44.549 42.059 0.210 0.000 1.350 213 L HN -0.091 nan 8.230 nan 0.000 0.411 214 V N 4.957 124.956 119.914 0.141 0.000 2.443 214 V HA 0.475 5.013 4.120 0.696 0.000 0.293 214 V C -0.741 175.426 176.094 0.122 0.000 1.021 214 V CA -0.322 62.032 62.300 0.090 0.000 0.848 214 V CB 1.485 33.373 31.823 0.109 0.000 0.998 214 V HN 0.604 nan 8.190 nan 0.000 0.424 215 L N 6.380 127.609 121.223 0.010 0.000 2.265 215 L HA 0.651 5.409 4.340 0.696 0.000 0.289 215 L C -0.198 176.659 176.870 -0.022 0.000 1.033 215 L CA -0.135 54.680 54.840 -0.042 0.000 0.814 215 L CB 1.524 43.498 42.059 -0.142 0.000 1.203 215 L HN 0.351 nan 8.230 nan 0.000 0.423 216 V N 2.902 122.846 119.914 0.050 0.000 2.628 216 V HA 0.550 5.088 4.120 0.696 0.000 0.306 216 V C -0.305 175.859 176.094 0.117 0.000 1.045 216 V CA -0.719 61.657 62.300 0.127 0.000 0.905 216 V CB 2.004 34.027 31.823 0.333 0.000 0.997 216 V HN 0.836 nan 8.190 nan 0.000 0.436 217 N N 1.943 120.705 118.700 0.104 0.000 2.272 217 N HA 0.611 5.769 4.740 0.696 0.000 0.305 217 N C -1.069 174.508 175.510 0.112 0.000 1.103 217 N CA -0.163 52.936 53.050 0.081 0.000 0.791 217 N CB 2.723 41.205 38.487 -0.009 0.000 1.356 217 N HN 0.841 nan 8.380 nan 0.000 0.486 218 T N 0.320 114.918 114.554 0.073 0.000 2.921 218 T HA 0.632 5.400 4.350 0.696 0.000 0.297 218 T C -0.370 174.338 174.700 0.013 0.000 1.013 218 T CA -0.665 61.449 62.100 0.024 0.000 0.990 218 T CB 0.595 69.404 68.868 -0.098 0.000 1.023 218 T HN 0.358 nan 8.240 nan 0.000 0.447 219 I N 3.084 123.708 120.570 0.091 0.000 2.545 219 I HA 0.570 5.157 4.170 0.696 0.000 0.292 219 I C -1.436 174.879 176.117 0.329 0.000 1.040 219 I CA -1.246 60.139 61.300 0.142 0.000 1.068 219 I CB 2.272 40.338 38.000 0.110 0.000 1.251 219 I HN 0.768 nan 8.210 nan 0.000 0.424 220 Y N 6.937 127.360 120.300 0.205 0.000 2.386 220 Y HA 0.611 5.581 4.550 0.699 0.000 0.334 220 Y C -1.924 174.175 175.900 0.332 0.000 1.002 220 Y CA -1.138 57.104 58.100 0.238 0.000 1.068 220 Y CB 1.699 40.193 38.460 0.057 0.000 1.203 220 Y HN 0.458 nan 8.280 nan 0.000 0.443 221 F N 6.787 126.404 119.950 -0.555 0.000 2.529 221 F HA 0.676 5.624 4.527 0.701 0.000 0.320 221 F C -1.666 173.703 175.800 -0.718 0.000 1.118 221 F CA -0.802 56.952 58.000 -0.410 0.000 0.915 221 F CB 1.522 40.523 39.000 0.001 0.000 1.161 221 F HN 0.491 nan 8.300 nan 0.000 0.445 222 K N 4.562 124.099 120.400 -1.438 0.000 2.652 222 K HA 0.663 5.401 4.320 0.696 0.000 0.249 222 K C -1.318 174.596 176.600 -1.144 0.000 0.986 222 K CA -0.571 55.019 56.287 -1.162 0.000 0.867 222 K CB 1.427 33.637 32.500 -0.484 0.000 1.201 222 K HN 0.951 nan 8.250 nan 0.000 0.450 223 G N 3.546 111.569 108.800 -1.294 0.000 2.563 223 G HA2 0.538 4.916 3.960 0.696 0.000 0.302 223 G HA3 0.538 4.916 3.960 0.696 0.000 0.302 223 G C -1.259 173.494 174.900 -0.244 0.000 1.301 223 G CA -0.824 43.838 45.100 -0.729 0.000 0.965 223 G HN 0.457 nan 8.290 nan 0.000 0.480 224 L N 0.744 121.982 121.223 0.025 0.000 2.334 224 L HA 0.367 5.124 4.340 0.696 0.000 0.277 224 L C 0.039 177.123 176.870 0.357 0.000 1.075 224 L CA -0.769 54.141 54.840 0.117 0.000 0.804 224 L CB 1.345 43.473 42.059 0.116 0.000 1.174 224 L HN 0.593 nan 8.230 nan 0.000 0.438 225 W N 2.800 124.283 121.300 0.306 0.000 2.148 225 W HA -0.014 5.060 4.660 0.690 0.000 0.347 225 W C 1.516 178.113 176.519 0.130 0.000 1.288 225 W CA -0.277 57.184 57.345 0.194 0.000 1.252 225 W CB 0.725 30.291 29.460 0.176 0.000 1.156 225 W HN 0.599 nan 8.180 nan 0.000 0.580 226 K N 0.607 121.242 120.400 0.391 0.000 2.031 226 K HA -0.065 4.672 4.320 0.696 0.000 0.205 226 K C 0.244 176.901 176.600 0.094 0.000 1.049 226 K CA 1.141 57.542 56.287 0.190 0.000 0.939 226 K CB -0.058 32.508 32.500 0.110 0.000 0.717 226 K HN 0.284 nan 8.250 nan 0.000 0.438 227 S N 1.232 116.952 115.700 0.032 0.000 2.532 227 S HA 0.333 5.220 4.470 0.696 0.000 0.318 227 S C -0.402 174.140 174.600 -0.096 0.000 1.083 227 S CA -0.817 57.325 58.200 -0.097 0.000 1.131 227 S CB 1.406 64.435 63.200 -0.285 0.000 0.973 227 S HN 0.365 nan 8.310 nan 0.000 0.468 228 K N 1.950 122.370 120.400 0.034 0.000 2.286 228 K HA 0.540 5.278 4.320 0.696 0.000 0.256 228 K C -0.548 176.025 176.600 -0.045 0.000 0.999 228 K CA 0.167 56.538 56.287 0.141 0.000 0.908 228 K CB 0.022 32.644 32.500 0.203 0.000 0.981 228 K HN 0.535 nan 8.250 nan 0.000 0.500 229 F N 0.187 120.205 119.950 0.113 0.000 2.443 229 F HA 0.375 5.317 4.527 0.692 0.000 0.335 229 F C 0.848 176.705 175.800 0.093 0.000 1.104 229 F CA -0.401 57.636 58.000 0.062 0.000 1.013 229 F CB 2.482 41.524 39.000 0.070 0.000 1.136 229 F HN 0.410 nan 8.300 nan 0.000 0.470 230 S N 4.742 120.589 115.700 0.246 0.000 2.489 230 S HA 0.198 5.086 4.470 0.696 0.000 0.277 230 S C -1.518 173.197 174.600 0.192 0.000 1.230 230 S CA -1.236 57.075 58.200 0.184 0.000 1.053 230 S CB 1.053 64.335 63.200 0.135 0.000 0.955 230 S HN 0.374 nan 8.310 nan 0.000 0.488 231 P HA -0.115 nan 4.420 nan 0.000 0.225 231 P C 0.946 178.308 177.300 0.103 0.000 1.148 231 P CA 0.751 63.926 63.100 0.125 0.000 0.779 231 P CB 0.132 31.894 31.700 0.103 0.000 0.780 232 E N -0.596 119.662 120.200 0.097 0.000 2.371 232 E HA -0.053 4.715 4.350 0.696 0.000 0.194 232 E C 0.853 177.500 176.600 0.079 0.000 1.012 232 E CA 0.611 57.057 56.400 0.075 0.000 0.860 232 E CB -0.706 29.032 29.700 0.065 0.000 0.811 232 E HN 0.229 nan 8.360 nan 0.000 0.502 233 N N 0.705 119.478 118.700 0.121 0.000 2.322 233 N HA 0.025 5.182 4.740 0.696 0.000 0.181 233 N C -0.112 175.496 175.510 0.162 0.000 1.088 233 N CA 0.310 53.444 53.050 0.141 0.000 0.885 233 N CB 0.430 39.079 38.487 0.271 0.000 1.013 233 N HN -0.000 nan 8.380 nan 0.000 0.472 234 T N 1.489 116.135 114.554 0.153 0.000 2.916 234 T HA 0.279 5.046 4.350 0.696 0.000 0.303 234 T C 0.452 175.206 174.700 0.091 0.000 1.025 234 T CA 0.333 62.512 62.100 0.131 0.000 1.142 234 T CB 1.010 69.940 68.868 0.103 0.000 0.947 234 T HN 0.049 nan 8.240 nan 0.000 0.544 235 R N 1.166 121.716 120.500 0.083 0.000 2.817 235 R HA 0.542 5.299 4.340 0.696 0.000 0.268 235 R C -0.921 175.406 176.300 0.044 0.000 1.027 235 R CA -0.937 55.195 56.100 0.053 0.000 0.928 235 R CB 1.654 31.979 30.300 0.040 0.000 1.228 235 R HN 0.386 nan 8.270 nan 0.000 0.469 236 K N 0.875 121.294 120.400 0.032 0.000 2.098 236 K HA 0.313 5.051 4.320 0.696 0.000 0.258 236 K C -1.116 175.499 176.600 0.026 0.000 0.973 236 K CA -0.403 55.901 56.287 0.028 0.000 0.898 236 K CB 1.323 33.837 32.500 0.023 0.000 1.057 236 K HN 0.568 nan 8.250 nan 0.000 0.447 237 E N 2.634 122.853 120.200 0.031 0.000 2.378 237 E HA 0.150 4.918 4.350 0.696 0.000 0.283 237 E C -1.369 175.264 176.600 0.055 0.000 0.979 237 E CA -0.640 55.784 56.400 0.040 0.000 0.795 237 E CB 0.810 30.529 29.700 0.031 0.000 1.221 237 E HN 0.350 nan 8.360 nan 0.000 0.428 238 L N 2.970 124.230 121.223 0.061 0.000 2.439 238 L HA 0.349 5.107 4.340 0.696 0.000 0.269 238 L C -0.268 176.650 176.870 0.080 0.000 1.179 238 L CA -0.348 54.504 54.840 0.019 0.000 0.828 238 L CB 0.332 42.386 42.059 -0.008 0.000 1.106 238 L HN 0.515 nan 8.230 nan 0.000 0.467 239 F N 2.430 122.281 119.950 -0.165 0.000 2.477 239 F HA 0.374 5.316 4.527 0.690 0.000 0.335 239 F C -0.876 174.808 175.800 -0.195 0.000 1.130 239 F CA -0.643 57.303 58.000 -0.090 0.000 0.948 239 F CB 0.820 39.762 39.000 -0.098 0.000 1.154 239 F HN 0.157 nan 8.300 nan 0.000 0.439 240 Y N 6.202 126.188 120.300 -0.523 0.000 2.477 240 Y HA 0.306 5.273 4.550 0.694 0.000 0.349 240 Y C 0.498 176.179 175.900 -0.365 0.000 0.977 240 Y CA -0.579 57.327 58.100 -0.324 0.000 1.214 240 Y CB 0.505 38.828 38.460 -0.228 0.000 1.124 240 Y HN 0.401 nan 8.280 nan 0.000 0.521 241 K N 1.594 121.982 120.400 -0.019 0.000 2.276 241 K HA 0.226 4.963 4.320 0.696 0.000 0.259 241 K C 1.089 177.708 176.600 0.031 0.000 1.001 241 K CA 0.337 56.664 56.287 0.067 0.000 0.927 241 K CB 0.811 33.368 32.500 0.095 0.000 0.969 241 K HN 0.775 nan 8.250 nan 0.000 0.490 242 A N 2.845 125.685 122.820 0.033 0.000 1.873 242 A HA -0.299 4.438 4.320 0.696 0.000 0.218 242 A C 1.805 179.406 177.584 0.028 0.000 1.193 242 A CA 2.519 54.569 52.037 0.020 0.000 0.629 242 A CB -0.969 18.045 19.000 0.023 0.000 0.826 242 A HN 0.983 nan 8.150 nan 0.000 0.447 243 D N -2.166 118.256 120.400 0.038 0.000 2.160 243 D HA 0.113 5.171 4.640 0.696 0.000 0.189 243 D C 1.387 177.712 176.300 0.041 0.000 1.003 243 D CA 2.515 56.538 54.000 0.037 0.000 0.846 243 D CB -0.466 40.359 40.800 0.042 0.000 0.949 243 D HN 0.810 nan 8.370 nan 0.000 0.446 244 G N -1.120 107.713 108.800 0.055 0.000 3.609 244 G HA2 -0.124 4.254 3.960 0.696 0.000 0.219 244 G HA3 -0.124 4.254 3.960 0.696 0.000 0.219 244 G C -0.155 174.800 174.900 0.093 0.000 0.951 244 G CA -0.172 44.975 45.100 0.078 0.000 0.867 244 G HN 0.330 nan 8.290 nan 0.000 0.478 245 E N 1.247 121.472 120.200 0.041 0.000 2.392 245 E HA 0.501 5.269 4.350 0.696 0.000 0.259 245 E C 0.175 176.713 176.600 -0.104 0.000 1.108 245 E CA 0.551 56.945 56.400 -0.010 0.000 0.916 245 E CB 1.166 30.866 29.700 -0.001 0.000 0.989 245 E HN 0.443 nan 8.360 nan 0.000 0.432 246 S N 0.047 115.610 115.700 -0.228 0.000 2.671 246 S HA 0.755 5.642 4.470 0.696 0.000 0.299 246 S C -0.425 174.060 174.600 -0.192 0.000 1.116 246 S CA -0.965 56.988 58.200 -0.412 0.000 0.912 246 S CB 1.115 63.698 63.200 -1.029 0.000 1.130 246 S HN 0.744 nan 8.310 nan 0.000 0.501 247 c N -0.813 117.712 118.600 -0.125 0.000 3.291 247 c HA 0.873 5.860 4.570 0.696 0.000 0.316 247 c C 0.247 174.311 174.090 -0.043 0.000 1.391 247 c CA -0.866 55.424 56.329 -0.066 0.000 1.394 247 c CB 0.885 43.362 42.510 -0.054 0.000 1.744 247 c HN 0.859 nan 8.230 nan 0.000 0.461 248 S N 0.004 115.684 115.700 -0.033 0.000 2.601 248 S HA 0.732 5.620 4.470 0.696 0.000 0.271 248 S C -0.132 174.459 174.600 -0.015 0.000 1.305 248 S CA 0.217 58.408 58.200 -0.014 0.000 1.022 248 S CB 0.711 63.907 63.200 -0.007 0.000 0.940 248 S HN 1.825 nan 8.310 nan 0.000 0.525 249 A N 2.730 125.554 122.820 0.006 0.000 2.547 249 A HA 0.522 5.260 4.320 0.696 0.000 0.279 249 A C -0.469 177.128 177.584 0.022 0.000 1.088 249 A CA -0.648 51.388 52.037 -0.002 0.000 0.796 249 A CB 0.986 19.988 19.000 0.003 0.000 1.308 249 A HN 0.611 nan 8.150 nan 0.000 0.415 250 S N 2.146 117.861 115.700 0.024 0.000 2.429 250 S HA 0.295 5.183 4.470 0.696 0.000 0.292 250 S C 0.075 174.702 174.600 0.045 0.000 1.183 250 S CA 0.165 58.387 58.200 0.037 0.000 1.088 250 S CB -0.115 63.107 63.200 0.037 0.000 1.018 250 S HN 0.708 nan 8.310 nan 0.000 0.511 251 M N 5.319 124.951 119.600 0.053 0.000 2.113 251 M HA 0.398 5.295 4.480 0.696 0.000 0.352 251 M C -0.445 175.924 176.300 0.116 0.000 1.170 251 M CA -0.037 55.304 55.300 0.069 0.000 1.053 251 M CB 0.386 33.018 32.600 0.054 0.000 1.601 251 M HN 0.539 nan 8.290 nan 0.000 0.459 252 M N 3.973 123.616 119.600 0.072 0.000 2.291 252 M HA 0.343 5.241 4.480 0.696 0.000 0.324 252 M C -1.022 175.444 176.300 0.276 0.000 1.148 252 M CA -0.450 54.897 55.300 0.078 0.000 1.104 252 M CB 0.919 33.355 32.600 -0.274 0.000 1.483 252 M HN 0.684 nan 8.290 nan 0.000 0.467 253 Y N 0.579 121.010 120.300 0.217 0.000 2.553 253 Y HA 0.559 5.527 4.550 0.697 0.000 0.347 253 Y C -1.110 174.889 175.900 0.164 0.000 1.019 253 Y CA -0.522 57.642 58.100 0.107 0.000 1.032 253 Y CB 1.800 40.282 38.460 0.038 0.000 1.284 253 Y HN 0.738 nan 8.280 nan 0.000 0.466 254 Q N 3.413 122.635 119.800 -0.963 0.000 2.721 254 Q HA 0.262 5.020 4.340 0.696 0.000 0.282 254 Q C -2.170 173.329 176.000 -0.835 0.000 0.932 254 Q CA -0.747 54.588 55.803 -0.779 0.000 0.816 254 Q CB 2.483 30.774 28.738 -0.745 0.000 1.506 254 Q HN 0.903 nan 8.270 nan 0.000 0.399 255 E N 0.123 120.030 120.200 -0.487 0.000 2.256 255 E HA 0.772 5.540 4.350 0.696 0.000 0.268 255 E C -1.018 175.503 176.600 -0.131 0.000 0.877 255 E CA -0.376 55.852 56.400 -0.287 0.000 0.757 255 E CB 1.935 31.519 29.700 -0.193 0.000 1.183 255 E HN 0.801 nan 8.360 nan 0.000 0.418 256 G N 0.935 109.716 108.800 -0.031 0.000 2.340 256 G HA2 0.505 4.883 3.960 0.696 0.000 0.299 256 G HA3 0.505 4.883 3.960 0.696 0.000 0.299 256 G C -1.523 173.329 174.900 -0.079 0.000 1.291 256 G CA -0.278 44.768 45.100 -0.089 0.000 0.841 256 G HN 0.510 nan 8.290 nan 0.000 0.500 257 K N -0.499 119.727 120.400 -0.289 0.000 2.211 257 K HA 0.838 5.576 4.320 0.696 0.000 0.275 257 K C -1.373 174.987 176.600 -0.400 0.000 1.024 257 K CA -0.504 55.651 56.287 -0.220 0.000 0.887 257 K CB 0.765 33.154 32.500 -0.185 0.000 1.084 257 K HN 0.666 nan 8.250 nan 0.000 0.463 258 F N 0.473 120.370 119.950 -0.089 0.000 2.641 258 F HA 0.420 5.366 4.527 0.699 0.000 0.308 258 F C 0.369 176.167 175.800 -0.003 0.000 1.105 258 F CA -0.956 57.003 58.000 -0.069 0.000 0.964 258 F CB 2.428 41.364 39.000 -0.107 0.000 1.294 258 F HN 0.476 nan 8.300 nan 0.000 0.442 259 R N 2.050 122.673 120.500 0.204 0.000 2.421 259 R HA 0.277 5.034 4.340 0.696 0.000 0.305 259 R C -1.381 175.044 176.300 0.208 0.000 1.039 259 R CA 0.081 56.276 56.100 0.157 0.000 1.003 259 R CB 0.330 30.695 30.300 0.109 0.000 0.959 259 R HN 0.647 nan 8.270 nan 0.000 0.427 260 Y N 1.591 121.909 120.300 0.029 0.000 2.625 260 Y HA 0.576 5.551 4.550 0.709 0.000 0.338 260 Y C -1.414 174.475 175.900 -0.018 0.000 1.123 260 Y CA -1.405 56.690 58.100 -0.008 0.000 1.046 260 Y CB 1.890 40.337 38.460 -0.021 0.000 1.299 260 Y HN 0.551 nan 8.280 nan 0.000 0.464 261 R N 2.830 122.816 120.500 -0.857 0.000 2.579 261 R HA 0.386 5.144 4.340 0.696 0.000 0.260 261 R C -2.262 173.528 176.300 -0.851 0.000 1.103 261 R CA -0.745 54.980 56.100 -0.625 0.000 0.942 261 R CB 1.298 31.443 30.300 -0.259 0.000 1.251 261 R HN 0.863 nan 8.270 nan 0.000 0.450 262 R N 4.062 124.273 120.500 -0.482 0.000 2.207 262 R HA 0.542 5.299 4.340 0.696 0.000 0.334 262 R C -0.567 175.615 176.300 -0.196 0.000 1.013 262 R CA -0.494 55.425 56.100 -0.301 0.000 0.858 262 R CB 0.714 30.971 30.300 -0.071 0.000 1.094 262 R HN 0.471 nan 8.270 nan 0.000 0.457 263 V N 2.514 122.295 119.914 -0.222 0.000 3.602 263 V HA 0.579 5.116 4.120 0.696 0.000 0.285 263 V C 0.422 176.486 176.094 -0.050 0.000 1.187 263 V CA -0.935 61.288 62.300 -0.128 0.000 0.940 263 V CB 0.598 32.313 31.823 -0.180 0.000 1.250 263 V HN 0.869 nan 8.190 nan 0.000 0.455 264 A N -0.393 122.441 122.820 0.023 0.000 2.524 264 A HA 0.366 5.104 4.320 0.696 0.000 0.250 264 A C 0.704 178.303 177.584 0.026 0.000 1.078 264 A CA 0.640 52.703 52.037 0.045 0.000 0.761 264 A CB -1.015 18.041 19.000 0.092 0.000 1.012 264 A HN 1.036 nan 8.150 nan 0.000 0.500 265 E N 0.821 121.030 120.200 0.015 0.000 3.303 265 E HA -0.222 4.546 4.350 0.696 0.000 0.302 265 E C 0.907 177.502 176.600 -0.009 0.000 0.902 265 E CA 1.113 57.519 56.400 0.009 0.000 1.042 265 E CB -1.790 27.924 29.700 0.023 0.000 1.528 265 E HN 2.342 nan 8.360 nan 0.000 0.424 266 G N -0.309 108.477 108.800 -0.024 0.000 2.162 266 G HA2 -0.352 4.026 3.960 0.696 0.000 0.260 266 G HA3 -0.352 4.026 3.960 0.696 0.000 0.260 266 G C 0.309 175.168 174.900 -0.068 0.000 0.976 266 G CA 0.550 45.629 45.100 -0.035 0.000 0.655 266 G HN 0.274 nan 8.290 nan 0.000 0.533 267 T N 1.643 116.134 114.554 -0.105 0.000 2.853 267 T HA 0.402 5.169 4.350 0.696 0.000 0.298 267 T C 0.539 175.075 174.700 -0.273 0.000 0.978 267 T CA 0.406 62.401 62.100 -0.175 0.000 1.152 267 T CB 0.851 69.585 68.868 -0.223 0.000 0.914 267 T HN 0.483 nan 8.240 nan 0.000 0.539 268 Q N 1.969 121.631 119.800 -0.231 0.000 2.257 268 Q HA 0.517 5.274 4.340 0.696 0.000 0.255 268 Q C -0.824 174.969 176.000 -0.345 0.000 0.920 268 Q CA -0.733 54.898 55.803 -0.286 0.000 0.927 268 Q CB 1.585 30.293 28.738 -0.051 0.000 1.229 268 Q HN 0.383 nan 8.270 nan 0.000 0.433 269 V N 4.154 123.781 119.914 -0.479 0.000 2.350 269 V HA 0.355 4.892 4.120 0.696 0.000 0.285 269 V C -0.833 175.137 176.094 -0.206 0.000 1.014 269 V CA -0.703 61.385 62.300 -0.354 0.000 0.831 269 V CB 1.228 32.787 31.823 -0.440 0.000 1.000 269 V HN 0.557 nan 8.190 nan 0.000 0.433 270 L N 4.189 125.384 121.223 -0.045 0.000 2.346 270 L HA 0.692 5.449 4.340 0.696 0.000 0.274 270 L C -0.336 176.564 176.870 0.049 0.000 1.007 270 L CA -0.011 54.854 54.840 0.042 0.000 0.818 270 L CB 1.919 43.991 42.059 0.021 0.000 1.284 270 L HN 0.742 nan 8.230 nan 0.000 0.424 271 E N 4.262 124.510 120.200 0.080 0.000 2.158 271 E HA 0.499 5.267 4.350 0.696 0.000 0.271 271 E C -1.689 174.988 176.600 0.129 0.000 0.911 271 E CA -0.573 55.895 56.400 0.113 0.000 0.767 271 E CB 1.177 30.953 29.700 0.127 0.000 1.120 271 E HN 0.690 nan 8.360 nan 0.000 0.405 272 L N 7.288 128.567 121.223 0.092 0.000 2.324 272 L HA 0.430 5.187 4.340 0.696 0.000 0.274 272 L C -2.273 174.636 176.870 0.065 0.000 1.012 272 L CA -2.037 52.814 54.840 0.018 0.000 0.859 272 L CB 1.433 43.317 42.059 -0.291 0.000 1.224 272 L HN 0.399 nan 8.230 nan 0.000 0.429 273 P HA 0.220 nan 4.420 nan 0.000 0.285 273 P C -0.701 176.670 177.300 0.119 0.000 1.259 273 P CA -0.232 62.935 63.100 0.111 0.000 0.794 273 P CB 0.733 32.502 31.700 0.116 0.000 0.940 274 F N 1.378 121.565 119.950 0.394 0.000 2.378 274 F HA 0.278 5.221 4.527 0.693 0.000 0.319 274 F C 1.727 177.675 175.800 0.245 0.000 1.155 274 F CA -0.258 57.958 58.000 0.360 0.000 1.157 274 F CB 0.419 39.616 39.000 0.328 0.000 1.252 274 F HN 0.138 nan 8.300 nan 0.000 0.550 275 K N 0.643 121.280 120.400 0.394 0.000 2.527 275 K HA 0.224 4.961 4.320 0.696 0.000 0.278 275 K C 0.924 177.661 176.600 0.227 0.000 0.981 275 K CA 1.242 57.675 56.287 0.242 0.000 1.009 275 K CB -0.055 32.560 32.500 0.190 0.000 0.895 275 K HN 0.902 nan 8.250 nan 0.000 0.493 276 G N 2.526 111.425 108.800 0.165 0.000 2.345 276 G HA2 -0.310 4.068 3.960 0.696 0.000 0.218 276 G HA3 -0.310 4.068 3.960 0.696 0.000 0.218 276 G C 0.303 175.289 174.900 0.142 0.000 1.058 276 G CA 0.389 45.575 45.100 0.144 0.000 0.632 276 G HN 0.889 nan 8.290 nan 0.000 0.508 277 D N 0.347 120.854 120.400 0.178 0.000 2.946 277 D HA -0.178 4.879 4.640 0.696 0.000 0.202 277 D C 1.211 177.610 176.300 0.166 0.000 1.068 277 D CA 1.906 56.002 54.000 0.162 0.000 1.011 277 D CB -0.966 39.898 40.800 0.108 0.000 1.105 277 D HN 0.695 nan 8.370 nan 0.000 0.425 278 D N 0.431 120.936 120.400 0.175 0.000 2.183 278 D HA -0.043 5.014 4.640 0.696 0.000 0.203 278 D C 0.846 177.255 176.300 0.180 0.000 0.969 278 D CA 0.810 54.902 54.000 0.154 0.000 0.842 278 D CB 0.159 41.039 40.800 0.134 0.000 0.957 278 D HN 0.381 nan 8.370 nan 0.000 0.484 279 I N 0.540 121.267 120.570 0.262 0.000 2.498 279 I HA 0.331 4.918 4.170 0.696 0.000 0.290 279 I C -0.296 176.134 176.117 0.521 0.000 1.032 279 I CA -0.655 60.833 61.300 0.314 0.000 1.073 279 I CB 2.302 40.455 38.000 0.255 0.000 1.251 279 I HN -0.080 nan 8.210 nan 0.000 0.426 280 T N 2.805 117.617 114.554 0.429 0.000 2.901 280 T HA 0.642 5.409 4.350 0.696 0.000 0.293 280 T C -0.702 174.244 174.700 0.410 0.000 1.084 280 T CA -0.891 61.434 62.100 0.375 0.000 1.008 280 T CB 2.274 71.282 68.868 0.233 0.000 1.170 280 T HN 0.553 nan 8.240 nan 0.000 0.509 281 M N 2.739 122.541 119.600 0.337 0.000 2.181 281 M HA 0.576 5.473 4.480 0.696 0.000 0.323 281 M C -1.701 174.787 176.300 0.314 0.000 1.004 281 M CA -0.791 54.754 55.300 0.409 0.000 0.941 281 M CB 1.277 34.193 32.600 0.525 0.000 1.579 281 M HN 0.607 nan 8.290 nan 0.000 0.427 282 V N 6.195 126.313 119.914 0.340 0.000 2.539 282 V HA 0.514 5.052 4.120 0.696 0.000 0.292 282 V C -0.306 175.998 176.094 0.349 0.000 1.045 282 V CA -0.614 61.854 62.300 0.279 0.000 0.945 282 V CB 1.762 33.713 31.823 0.213 0.000 0.993 282 V HN 0.801 nan 8.190 nan 0.000 0.464 283 L N 5.106 126.474 121.223 0.243 0.000 2.365 283 L HA 0.610 5.367 4.340 0.696 0.000 0.273 283 L C -1.006 175.959 176.870 0.160 0.000 1.000 283 L CA -0.560 54.434 54.840 0.257 0.000 0.819 283 L CB 2.080 44.230 42.059 0.152 0.000 1.284 283 L HN 0.367 nan 8.230 nan 0.000 0.418 284 I N 4.705 125.396 120.570 0.203 0.000 2.420 284 I HA 0.367 4.954 4.170 0.696 0.000 0.282 284 I C -0.767 175.389 176.117 0.065 0.000 1.019 284 I CA -0.426 60.904 61.300 0.050 0.000 1.130 284 I CB 1.458 39.535 38.000 0.128 0.000 1.262 284 I HN 0.357 nan 8.210 nan 0.000 0.454 285 L N 8.785 129.994 121.223 -0.023 0.000 2.305 285 L HA 0.587 5.344 4.340 0.696 0.000 0.284 285 L C -2.151 174.698 176.870 -0.034 0.000 1.013 285 L CA -1.448 53.397 54.840 0.008 0.000 0.819 285 L CB 1.200 43.244 42.059 -0.025 0.000 1.227 285 L HN 0.295 nan 8.230 nan 0.000 0.417 286 P HA 0.071 nan 4.420 nan 0.000 0.272 286 P C -0.666 176.628 177.300 -0.010 0.000 1.240 286 P CA -0.725 62.371 63.100 -0.006 0.000 0.791 286 P CB 0.687 32.403 31.700 0.027 0.000 0.978 287 K N 2.411 122.803 120.400 -0.014 0.000 2.485 287 K HA -0.019 4.719 4.320 0.696 0.000 0.277 287 K C -1.443 175.154 176.600 -0.006 0.000 0.990 287 K CA -0.665 55.615 56.287 -0.011 0.000 0.994 287 K CB -0.431 32.063 32.500 -0.009 0.000 0.906 287 K HN 0.215 nan 8.250 nan 0.000 0.488 288 P HA -0.278 nan 4.420 nan 0.000 0.221 288 P C -0.573 176.720 177.300 -0.012 0.000 1.107 288 P CA 1.704 64.796 63.100 -0.012 0.000 0.986 288 P CB 0.107 31.798 31.700 -0.016 0.000 0.774 289 E N -0.156 120.036 120.200 -0.012 0.000 2.400 289 E HA 0.473 5.240 4.350 0.696 0.000 0.232 289 E C -0.566 176.031 176.600 -0.004 0.000 0.988 289 E CA -0.373 56.020 56.400 -0.011 0.000 0.823 289 E CB -0.343 29.346 29.700 -0.017 0.000 1.246 289 E HN -0.045 nan 8.360 nan 0.000 0.441 290 K N 1.338 121.740 120.400 0.003 0.000 2.542 290 K HA 0.346 5.083 4.320 0.696 0.000 0.259 290 K C -0.717 175.893 176.600 0.017 0.000 0.932 290 K CA -0.483 55.809 56.287 0.009 0.000 0.820 290 K CB 1.817 34.322 32.500 0.009 0.000 1.345 290 K HN 0.267 nan 8.250 nan 0.000 0.432 291 S N 1.109 116.821 115.700 0.020 0.000 2.584 291 S HA 0.378 5.265 4.470 0.696 0.000 0.273 291 S C 1.014 175.639 174.600 0.042 0.000 1.311 291 S CA -0.472 57.744 58.200 0.027 0.000 1.034 291 S CB 0.738 63.950 63.200 0.020 0.000 0.939 291 S HN 0.793 nan 8.310 nan 0.000 0.513 292 L N 5.211 126.466 121.223 0.053 0.000 2.141 292 L HA 0.134 4.892 4.340 0.696 0.000 0.209 292 L C 2.593 179.513 176.870 0.083 0.000 1.094 292 L CA 2.162 57.048 54.840 0.077 0.000 0.763 292 L CB -1.715 40.396 42.059 0.088 0.000 0.908 292 L HN 0.957 nan 8.230 nan 0.000 0.437 293 A N -0.478 122.377 122.820 0.058 0.000 1.909 293 A HA -0.391 4.346 4.320 0.696 0.000 0.221 293 A C 2.473 180.089 177.584 0.053 0.000 1.223 293 A CA 2.547 54.611 52.037 0.045 0.000 0.658 293 A CB -0.742 18.269 19.000 0.019 0.000 0.831 293 A HN 0.470 nan 8.150 nan 0.000 0.462 294 K N -0.860 119.573 120.400 0.054 0.000 2.009 294 K HA -0.126 4.612 4.320 0.696 0.000 0.210 294 K C 1.939 178.595 176.600 0.093 0.000 1.049 294 K CA 1.787 58.109 56.287 0.059 0.000 0.929 294 K CB -0.402 32.131 32.500 0.055 0.000 0.714 294 K HN 0.279 nan 8.250 nan 0.000 0.440 295 V N 1.484 121.478 119.914 0.133 0.000 2.282 295 V HA -0.277 4.261 4.120 0.696 0.000 0.249 295 V C 2.040 178.252 176.094 0.196 0.000 1.057 295 V CA 2.044 64.474 62.300 0.216 0.000 1.032 295 V CB -0.468 31.507 31.823 0.252 0.000 0.645 295 V HN 0.408 nan 8.190 nan 0.000 0.447 296 E N -0.010 120.291 120.200 0.168 0.000 2.153 296 E HA -0.203 4.565 4.350 0.696 0.000 0.194 296 E C 2.479 179.145 176.600 0.110 0.000 0.988 296 E CA 1.575 58.082 56.400 0.178 0.000 0.811 296 E CB -0.224 29.595 29.700 0.198 0.000 0.746 296 E HN 0.704 nan 8.360 nan 0.000 0.466 297 K N 1.180 121.618 120.400 0.064 0.000 2.057 297 K HA -0.094 4.643 4.320 0.696 0.000 0.206 297 K C 1.180 177.785 176.600 0.009 0.000 1.050 297 K CA 1.424 57.721 56.287 0.018 0.000 0.935 297 K CB -0.352 32.151 32.500 0.006 0.000 0.715 297 K HN 0.038 nan 8.250 nan 0.000 0.439 298 E N -0.131 120.083 120.200 0.023 0.000 2.674 298 E HA 0.315 5.083 4.350 0.696 0.000 0.240 298 E C -1.322 175.253 176.600 -0.042 0.000 1.213 298 E CA -0.407 55.986 56.400 -0.011 0.000 1.357 298 E CB 0.256 29.953 29.700 -0.005 0.000 1.467 298 E HN 0.302 nan 8.360 nan 0.000 0.448 299 L N 2.164 123.370 121.223 -0.027 0.000 2.356 299 L HA 0.358 5.115 4.340 0.696 0.000 0.264 299 L C -0.471 176.357 176.870 -0.069 0.000 1.029 299 L CA -0.211 54.601 54.840 -0.047 0.000 0.897 299 L CB 0.729 42.819 42.059 0.051 0.000 1.256 299 L HN 0.150 nan 8.230 nan 0.000 0.444 300 T N 0.918 115.390 114.554 -0.136 0.000 2.912 300 T HA 0.588 5.356 4.350 0.696 0.000 0.288 300 T C -2.130 172.476 174.700 -0.156 0.000 1.030 300 T CA -2.005 60.025 62.100 -0.117 0.000 1.020 300 T CB 1.663 70.462 68.868 -0.115 0.000 1.056 300 T HN 0.214 nan 8.240 nan 0.000 0.480 301 P HA -0.036 nan 4.420 nan 0.000 0.219 301 P C 0.989 178.203 177.300 -0.143 0.000 1.146 301 P CA 0.930 63.955 63.100 -0.125 0.000 0.808 301 P CB 0.135 31.780 31.700 -0.092 0.000 0.779 302 E N -0.468 119.649 120.200 -0.138 0.000 2.031 302 E HA -0.117 4.650 4.350 0.696 0.000 0.193 302 E C 2.097 178.571 176.600 -0.210 0.000 0.994 302 E CA 1.020 57.339 56.400 -0.134 0.000 0.800 302 E CB -1.366 28.270 29.700 -0.107 0.000 0.752 302 E HN -0.017 nan 8.360 nan 0.000 0.447 303 V N 0.846 120.579 119.914 -0.302 0.000 2.295 303 V HA -0.247 4.291 4.120 0.696 0.000 0.246 303 V C 2.319 177.975 176.094 -0.730 0.000 1.049 303 V CA 1.543 63.531 62.300 -0.520 0.000 1.024 303 V CB -0.450 31.009 31.823 -0.608 0.000 0.648 303 V HN 0.224 nan 8.190 nan 0.000 0.447 304 L N -0.588 120.292 121.223 -0.572 0.000 2.012 304 L HA -0.259 4.498 4.340 0.696 0.000 0.210 304 L C 2.675 179.412 176.870 -0.222 0.000 1.073 304 L CA 1.793 56.376 54.840 -0.429 0.000 0.748 304 L CB -0.296 41.561 42.059 -0.337 0.000 0.891 304 L HN 0.326 nan 8.230 nan 0.000 0.431 305 Q N -0.156 119.538 119.800 -0.176 0.000 2.124 305 Q HA -0.265 4.492 4.340 0.696 0.000 0.202 305 Q C 1.996 177.962 176.000 -0.056 0.000 0.977 305 Q CA 1.840 57.594 55.803 -0.081 0.000 0.850 305 Q CB -0.127 28.579 28.738 -0.053 0.000 0.901 305 Q HN 0.482 nan 8.270 nan 0.000 0.429 306 E N -1.290 118.840 120.200 -0.117 0.000 2.031 306 E HA -0.195 4.572 4.350 0.696 0.000 0.193 306 E C 1.438 178.072 176.600 0.055 0.000 0.994 306 E CA 1.256 57.616 56.400 -0.066 0.000 0.800 306 E CB -0.175 29.445 29.700 -0.134 0.000 0.752 306 E HN 0.429 nan 8.360 nan 0.000 0.447 307 W N 0.883 122.150 121.300 -0.056 0.000 2.315 307 W HA -0.199 4.535 4.660 0.123 0.000 0.323 307 W C 2.353 178.836 176.519 -0.060 0.000 1.233 307 W CA 0.732 58.037 57.345 -0.066 0.000 1.267 307 W CB -1.292 28.117 29.460 -0.084 0.000 1.160 307 W HN 0.195 nan 8.180 nan 0.000 0.474 308 L N -0.062 121.270 121.223 0.182 0.000 2.079 308 L HA -0.231 4.526 4.340 0.696 0.000 0.210 308 L C 1.640 178.553 176.870 0.072 0.000 1.081 308 L CA 1.490 56.388 54.840 0.097 0.000 0.752 308 L CB -0.811 41.283 42.059 0.058 0.000 0.896 308 L HN -0.154 nan 8.230 nan 0.000 0.433 309 D N -0.818 119.620 120.400 0.064 0.000 2.349 309 D HA -0.080 4.977 4.640 0.696 0.000 0.224 309 D C 1.801 178.130 176.300 0.050 0.000 1.029 309 D CA 0.564 54.593 54.000 0.048 0.000 0.879 309 D CB 0.248 41.069 40.800 0.035 0.000 0.906 309 D HN 0.383 nan 8.370 nan 0.000 0.528 310 E N -0.472 119.766 120.200 0.063 0.000 2.340 310 E HA 0.132 4.900 4.350 0.696 0.000 0.198 310 E C 0.389 177.009 176.600 0.033 0.000 0.961 310 E CA -0.193 56.238 56.400 0.051 0.000 0.905 310 E CB 0.617 30.359 29.700 0.070 0.000 0.884 310 E HN 0.167 nan 8.360 nan 0.000 0.491 311 L N 2.240 123.483 121.223 0.034 0.000 2.593 311 L HA -0.035 4.723 4.340 0.696 0.000 0.287 311 L C 0.031 176.926 176.870 0.042 0.000 1.243 311 L CA 0.798 55.654 54.840 0.025 0.000 0.890 311 L CB -0.076 42.006 42.059 0.038 0.000 1.134 311 L HN 0.052 nan 8.230 nan 0.000 0.502 312 E N 1.984 122.218 120.200 0.056 0.000 2.241 312 E HA 0.157 4.925 4.350 0.696 0.000 0.263 312 E C -0.619 176.028 176.600 0.079 0.000 0.882 312 E CA -0.621 55.815 56.400 0.060 0.000 0.769 312 E CB 1.439 31.171 29.700 0.053 0.000 1.185 312 E HN 0.466 nan 8.360 nan 0.000 0.415 313 E N 4.227 124.460 120.200 0.056 0.000 2.652 313 E HA 0.001 4.769 4.350 0.696 0.000 0.255 313 E C -0.792 175.835 176.600 0.045 0.000 0.952 313 E CA 0.578 57.005 56.400 0.046 0.000 0.947 313 E CB 0.385 30.090 29.700 0.008 0.000 0.912 313 E HN 0.509 nan 8.360 nan 0.000 0.489 314 M N 4.573 124.205 119.600 0.055 0.000 2.575 314 M HA 0.351 5.249 4.480 0.696 0.000 0.284 314 M C -1.463 174.835 176.300 -0.004 0.000 1.253 314 M CA -0.828 54.488 55.300 0.026 0.000 0.861 314 M CB 1.898 34.530 32.600 0.053 0.000 1.733 314 M HN 0.464 nan 8.290 nan 0.000 0.462 315 M N 4.633 124.212 119.600 -0.034 0.000 2.144 315 M HA 0.461 5.359 4.480 0.696 0.000 0.356 315 M C -1.439 174.811 176.300 -0.083 0.000 1.217 315 M CA -0.393 54.879 55.300 -0.047 0.000 1.087 315 M CB 0.428 32.997 32.600 -0.051 0.000 1.609 315 M HN 0.689 nan 8.290 nan 0.000 0.467 316 L N 2.984 124.157 121.223 -0.083 0.000 2.654 316 L HA 0.791 5.548 4.340 0.696 0.000 0.257 316 L C -1.042 175.717 176.870 -0.186 0.000 1.093 316 L CA -1.022 53.714 54.840 -0.173 0.000 0.903 316 L CB 0.844 42.715 42.059 -0.313 0.000 1.520 316 L HN 0.238 nan 8.230 nan 0.000 0.402 317 V N 1.059 120.830 119.914 -0.238 0.000 2.398 317 V HA 0.660 5.198 4.120 0.696 0.000 0.286 317 V C -0.401 175.468 176.094 -0.375 0.000 1.026 317 V CA -0.579 61.531 62.300 -0.317 0.000 0.868 317 V CB 1.640 33.336 31.823 -0.211 0.000 0.982 317 V HN 0.556 nan 8.190 nan 0.000 0.443 318 V N 4.997 124.616 119.914 -0.491 0.000 2.398 318 V HA 0.438 4.975 4.120 0.696 0.000 0.286 318 V C -0.597 175.324 176.094 -0.288 0.000 1.026 318 V CA -0.511 61.548 62.300 -0.401 0.000 0.868 318 V CB 1.363 32.862 31.823 -0.541 0.000 0.982 318 V HN 0.903 nan 8.190 nan 0.000 0.443 319 H N 5.857 124.873 119.070 -0.091 0.000 2.708 319 H HA 0.723 5.695 4.556 0.693 0.000 0.320 319 H C -0.188 175.078 175.328 -0.102 0.000 0.991 319 H CA -0.483 55.551 56.048 -0.023 0.000 1.243 319 H CB 1.474 31.234 29.762 -0.003 0.000 1.446 319 H HN 0.736 nan 8.280 nan 0.000 0.502 320 M N 2.542 122.150 119.600 0.014 0.000 2.421 320 M HA 0.609 5.506 4.480 0.696 0.000 0.287 320 M C -3.245 173.027 176.300 -0.046 0.000 1.183 320 M CA -2.233 53.014 55.300 -0.089 0.000 0.916 320 M CB 3.074 35.598 32.600 -0.127 0.000 1.701 320 M HN 0.142 nan 8.290 nan 0.000 0.470 321 P HA 0.220 nan 4.420 nan 0.000 0.271 321 P C -1.349 176.098 177.300 0.245 0.000 1.218 321 P CA -0.158 63.002 63.100 0.100 0.000 0.780 321 P CB 0.549 32.270 31.700 0.035 0.000 0.901 322 R N 2.855 123.444 120.500 0.148 0.000 2.220 322 R HA 0.442 5.199 4.340 0.696 0.000 0.340 322 R C -0.456 175.955 176.300 0.186 0.000 1.076 322 R CA -0.161 56.002 56.100 0.105 0.000 0.920 322 R CB -0.487 29.838 30.300 0.040 0.000 1.062 322 R HN 0.507 nan 8.270 nan 0.000 0.469 323 F N 0.448 120.358 119.950 -0.066 0.000 2.869 323 F HA 0.615 5.558 4.527 0.694 0.000 0.325 323 F C -1.515 174.191 175.800 -0.156 0.000 1.184 323 F CA -1.476 56.462 58.000 -0.105 0.000 0.951 323 F CB 1.312 40.239 39.000 -0.121 0.000 1.421 323 F HN 0.227 nan 8.300 nan 0.000 0.501 324 R N 2.343 122.793 120.500 -0.084 0.000 2.518 324 R HA 0.636 5.393 4.340 0.696 0.000 0.287 324 R C -1.860 174.371 176.300 -0.115 0.000 1.135 324 R CA -0.533 55.388 56.100 -0.298 0.000 0.967 324 R CB 1.678 31.843 30.300 -0.227 0.000 1.212 324 R HN 0.947 nan 8.270 nan 0.000 0.422 325 I N -0.862 119.577 120.570 -0.217 0.000 3.023 325 I HA 0.713 5.301 4.170 0.696 0.000 0.312 325 I C -0.910 175.131 176.117 -0.127 0.000 1.056 325 I CA -0.900 60.355 61.300 -0.075 0.000 1.033 325 I CB 2.399 40.394 38.000 -0.008 0.000 1.233 325 I HN 0.562 nan 8.210 nan 0.000 0.462 326 E N 1.012 121.259 120.200 0.079 0.000 2.397 326 E HA 0.302 5.069 4.350 0.696 0.000 0.293 326 E C -1.968 174.787 176.600 0.257 0.000 0.930 326 E CA -0.570 55.945 56.400 0.191 0.000 0.793 326 E CB 1.875 31.693 29.700 0.197 0.000 1.259 326 E HN 0.631 nan 8.360 nan 0.000 0.406 327 D N 1.211 121.826 120.400 0.358 0.000 2.457 327 D HA 0.716 5.774 4.640 0.696 0.000 0.240 327 D C -1.003 175.517 176.300 0.366 0.000 1.041 327 D CA -0.477 53.764 54.000 0.403 0.000 0.861 327 D CB 2.015 43.138 40.800 0.539 0.000 1.394 327 D HN 0.503 nan 8.370 nan 0.000 0.473 328 G N 1.405 110.428 108.800 0.372 0.000 2.739 328 G HA2 0.621 4.999 3.960 0.696 0.000 0.292 328 G HA3 0.621 4.999 3.960 0.696 0.000 0.292 328 G C -1.358 173.754 174.900 0.354 0.000 1.444 328 G CA -0.751 44.475 45.100 0.211 0.000 1.144 328 G HN 0.357 nan 8.290 nan 0.000 0.550 329 F N -0.202 119.898 119.950 0.250 0.000 2.858 329 F HA 0.840 5.786 4.527 0.698 0.000 0.319 329 F C -0.528 175.462 175.800 0.317 0.000 1.166 329 F CA -1.421 56.725 58.000 0.244 0.000 0.899 329 F CB 1.370 40.489 39.000 0.199 0.000 1.332 329 F HN 0.608 nan 8.300 nan 0.000 0.461 330 S N 0.564 116.556 115.700 0.487 0.000 2.525 330 S HA 0.616 5.504 4.470 0.696 0.000 0.290 330 S C -0.071 174.736 174.600 0.345 0.000 1.152 330 S CA -0.725 57.643 58.200 0.279 0.000 1.072 330 S CB 1.191 64.485 63.200 0.157 0.000 1.027 330 S HN 0.763 nan 8.310 nan 0.000 0.500 331 L N 3.976 125.348 121.223 0.248 0.000 2.567 331 L HA 0.337 5.095 4.340 0.696 0.000 0.225 331 L C 2.290 179.240 176.870 0.134 0.000 1.119 331 L CA 0.021 55.060 54.840 0.332 0.000 0.871 331 L CB -0.360 41.921 42.059 0.370 0.000 1.036 331 L HN 0.697 nan 8.230 nan 0.000 0.459 332 K N 1.297 121.649 120.400 -0.080 0.000 1.987 332 K HA -0.293 4.444 4.320 0.696 0.000 0.216 332 K C 2.076 178.474 176.600 -0.337 0.000 1.051 332 K CA 2.158 58.166 56.287 -0.465 0.000 0.942 332 K CB -0.046 32.151 32.500 -0.505 0.000 0.722 332 K HN 0.310 nan 8.250 nan 0.000 0.444 333 E N -0.361 119.744 120.200 -0.157 0.000 2.049 333 E HA -0.277 4.491 4.350 0.696 0.000 0.198 333 E C 2.152 178.714 176.600 -0.064 0.000 1.007 333 E CA 1.817 58.157 56.400 -0.099 0.000 0.809 333 E CB 0.037 29.708 29.700 -0.049 0.000 0.749 333 E HN 0.358 nan 8.360 nan 0.000 0.450 334 Q N 0.419 120.213 119.800 -0.010 0.000 2.030 334 Q HA -0.192 4.565 4.340 0.696 0.000 0.204 334 Q C 2.573 178.561 176.000 -0.018 0.000 0.986 334 Q CA 1.344 57.144 55.803 -0.005 0.000 0.843 334 Q CB -0.756 28.005 28.738 0.038 0.000 0.904 334 Q HN 0.407 nan 8.270 nan 0.000 0.420 335 L N 0.814 122.080 121.223 0.071 0.000 2.012 335 L HA -0.259 4.499 4.340 0.696 0.000 0.210 335 L C 2.779 179.665 176.870 0.027 0.000 1.073 335 L CA 1.567 56.438 54.840 0.050 0.000 0.748 335 L CB -0.653 41.487 42.059 0.134 0.000 0.891 335 L HN 0.273 nan 8.230 nan 0.000 0.431 336 Q N 0.019 119.826 119.800 0.011 0.000 2.014 336 Q HA -0.249 4.509 4.340 0.696 0.000 0.207 336 Q C 1.949 177.939 176.000 -0.017 0.000 0.993 336 Q CA 1.947 57.763 55.803 0.022 0.000 0.850 336 Q CB -0.306 28.409 28.738 -0.039 0.000 0.916 336 Q HN 0.470 nan 8.270 nan 0.000 0.417 337 D N 0.500 120.867 120.400 -0.055 0.000 2.133 337 D HA -0.204 4.854 4.640 0.696 0.000 0.192 337 D C 1.584 177.808 176.300 -0.127 0.000 1.001 337 D CA 1.303 55.270 54.000 -0.055 0.000 0.844 337 D CB -0.234 40.562 40.800 -0.007 0.000 0.944 337 D HN 0.211 nan 8.370 nan 0.000 0.447 338 M N -0.872 118.544 119.600 -0.307 0.000 2.700 338 M HA 0.010 4.907 4.480 0.696 0.000 0.249 338 M C 0.938 177.160 176.300 -0.129 0.000 1.082 338 M CA 1.008 56.103 55.300 -0.341 0.000 1.077 338 M CB 0.193 32.550 32.600 -0.406 0.000 1.477 338 M HN 0.262 nan 8.290 nan 0.000 0.529 339 G N -0.081 108.688 108.800 -0.051 0.000 2.231 339 G HA2 -0.191 4.187 3.960 0.696 0.000 0.206 339 G HA3 -0.191 4.187 3.960 0.696 0.000 0.206 339 G C 0.040 174.970 174.900 0.049 0.000 0.996 339 G CA -0.505 44.597 45.100 0.003 0.000 0.645 339 G HN 0.331 nan 8.290 nan 0.000 0.498 340 L N 2.793 124.063 121.223 0.079 0.000 2.395 340 L HA 0.344 5.102 4.340 0.696 0.000 0.268 340 L C 1.671 178.704 176.870 0.272 0.000 1.223 340 L CA -0.153 54.787 54.840 0.168 0.000 1.093 340 L CB 0.551 42.748 42.059 0.229 0.000 1.349 340 L HN 0.112 nan 8.230 nan 0.000 0.427 341 V N 2.245 122.272 119.914 0.188 0.000 2.398 341 V HA -0.104 4.434 4.120 0.696 0.000 0.236 341 V C 1.754 177.968 176.094 0.200 0.000 1.054 341 V CA 0.806 63.227 62.300 0.202 0.000 1.060 341 V CB -0.251 31.642 31.823 0.118 0.000 0.707 341 V HN 0.559 nan 8.190 nan 0.000 0.480 342 D N 0.537 121.006 120.400 0.116 0.000 2.154 342 D HA -0.237 4.821 4.640 0.696 0.000 0.190 342 D C 1.936 178.268 176.300 0.054 0.000 1.003 342 D CA 1.624 55.672 54.000 0.080 0.000 0.849 342 D CB -0.535 40.299 40.800 0.057 0.000 0.942 342 D HN 0.255 nan 8.370 nan 0.000 0.446 343 L N -0.478 120.722 121.223 -0.040 0.000 2.137 343 L HA -0.207 4.551 4.340 0.696 0.000 0.213 343 L C 1.574 178.294 176.870 -0.249 0.000 1.085 343 L CA 1.613 56.326 54.840 -0.211 0.000 0.760 343 L CB -0.347 41.479 42.059 -0.389 0.000 0.893 343 L HN 0.004 nan 8.230 nan 0.000 0.434 344 F N -1.978 118.068 119.950 0.160 0.000 2.727 344 F HA 0.270 5.214 4.527 0.695 0.000 0.302 344 F C 1.371 177.268 175.800 0.163 0.000 1.097 344 F CA 0.146 58.263 58.000 0.194 0.000 1.330 344 F CB -0.410 38.669 39.000 0.132 0.000 1.084 344 F HN 0.019 nan 8.300 nan 0.000 0.578 345 S N 1.652 117.484 115.700 0.219 0.000 2.438 345 S HA 0.292 5.179 4.470 0.696 0.000 0.293 345 S C -1.768 172.792 174.600 -0.067 0.000 1.141 345 S CA -1.595 56.637 58.200 0.053 0.000 1.080 345 S CB 1.186 64.419 63.200 0.055 0.000 0.978 345 S HN -0.161 nan 8.310 nan 0.000 0.479 346 P HA -0.043 nan 4.420 nan 0.000 0.223 346 P C 0.410 177.616 177.300 -0.158 0.000 1.144 346 P CA 1.061 63.878 63.100 -0.472 0.000 0.783 346 P CB 0.211 31.462 31.700 -0.748 0.000 0.771 347 E N -0.578 119.565 120.200 -0.094 0.000 2.110 347 E HA 0.019 4.787 4.350 0.696 0.000 0.193 347 E C 1.780 178.375 176.600 -0.008 0.000 0.950 347 E CA 0.837 57.212 56.400 -0.040 0.000 0.840 347 E CB -0.373 29.306 29.700 -0.035 0.000 0.809 347 E HN 0.207 nan 8.360 nan 0.000 0.465 348 K N 0.848 121.250 120.400 0.004 0.000 2.243 348 K HA 0.148 4.886 4.320 0.696 0.000 0.201 348 K C 1.029 177.650 176.600 0.034 0.000 1.051 348 K CA 0.225 56.526 56.287 0.022 0.000 0.970 348 K CB 0.101 32.619 32.500 0.030 0.000 0.755 348 K HN -0.036 nan 8.250 nan 0.000 0.465 349 S N 1.759 117.487 115.700 0.047 0.000 2.558 349 S HA -0.028 4.860 4.470 0.696 0.000 0.291 349 S C -0.309 174.317 174.600 0.044 0.000 1.306 349 S CA 0.167 58.402 58.200 0.058 0.000 1.056 349 S CB 0.305 63.572 63.200 0.111 0.000 0.836 349 S HN 0.137 nan 8.310 nan 0.000 0.504 350 K N 4.078 124.496 120.400 0.029 0.000 2.664 350 K HA 0.431 5.169 4.320 0.696 0.000 0.234 350 K C -1.341 175.261 176.600 0.003 0.000 0.980 350 K CA -0.041 56.257 56.287 0.019 0.000 0.996 350 K CB 0.887 33.400 32.500 0.022 0.000 1.190 350 K HN 0.618 nan 8.250 nan 0.000 0.479 351 L N 5.228 126.443 121.223 -0.013 0.000 2.495 351 L HA 0.360 5.117 4.340 0.696 0.000 0.248 351 L C -1.739 175.093 176.870 -0.062 0.000 1.229 351 L CA -1.249 53.564 54.840 -0.045 0.000 0.942 351 L CB 1.331 43.350 42.059 -0.068 0.000 1.242 351 L HN 0.397 nan 8.230 nan 0.000 0.484 352 P HA 0.077 nan 4.420 nan 0.000 0.255 352 P C 0.972 178.229 177.300 -0.073 0.000 1.248 352 P CA 0.328 63.397 63.100 -0.051 0.000 0.807 352 P CB 0.666 32.352 31.700 -0.025 0.000 1.150 353 G N -0.318 108.416 108.800 -0.111 0.000 3.575 353 G HA2 0.150 4.528 3.960 0.696 0.000 0.273 353 G HA3 0.150 4.528 3.960 0.696 0.000 0.273 353 G C 0.989 175.709 174.900 -0.300 0.000 1.053 353 G CA -0.087 44.933 45.100 -0.133 0.000 0.803 353 G HN 0.059 nan 8.290 nan 0.000 0.528 354 I N 0.696 121.057 120.570 -0.348 0.000 2.681 354 I HA 0.086 4.673 4.170 0.696 0.000 0.247 354 I C 0.996 177.053 176.117 -0.100 0.000 1.091 354 I CA 0.831 61.835 61.300 -0.494 0.000 1.442 354 I CB -0.575 37.212 38.000 -0.354 0.000 1.219 354 I HN 0.004 nan 8.210 nan 0.000 0.451 355 V N -0.264 119.570 119.914 -0.133 0.000 2.394 355 V HA 0.697 5.234 4.120 0.696 0.000 0.282 355 V C 1.236 177.253 176.094 -0.128 0.000 1.031 355 V CA -0.566 61.608 62.300 -0.210 0.000 0.881 355 V CB 0.854 32.479 31.823 -0.331 0.000 0.982 355 V HN 0.251 nan 8.190 nan 0.000 0.451 356 A N 4.004 126.767 122.820 -0.096 0.000 1.849 356 A HA -0.172 4.565 4.320 0.696 0.000 0.217 356 A C 1.459 179.003 177.584 -0.067 0.000 1.202 356 A CA 1.690 53.696 52.037 -0.051 0.000 0.629 356 A CB -0.872 18.111 19.000 -0.027 0.000 0.834 356 A HN 1.162 nan 8.150 nan 0.000 0.447 357 E N 0.771 120.915 120.200 -0.092 0.000 3.125 357 E HA 0.309 5.077 4.350 0.696 0.000 0.304 357 E C 0.704 177.260 176.600 -0.074 0.000 1.207 357 E CA 0.057 56.409 56.400 -0.080 0.000 1.303 357 E CB -1.585 28.058 29.700 -0.096 0.000 1.075 357 E HN 0.568 nan 8.360 nan 0.000 0.473 358 G N 2.739 111.504 108.800 -0.057 0.000 2.195 358 G HA2 -0.370 4.008 3.960 0.696 0.000 0.264 358 G HA3 -0.370 4.008 3.960 0.696 0.000 0.264 358 G C 0.246 175.117 174.900 -0.047 0.000 0.765 358 G CA 0.471 45.543 45.100 -0.047 0.000 0.974 358 G HN 0.538 nan 8.290 nan 0.000 0.444 359 R N 0.651 121.113 120.500 -0.063 0.000 3.570 359 R HA 0.153 4.910 4.340 0.696 0.000 0.233 359 R C -0.636 175.640 176.300 -0.040 0.000 1.492 359 R CA -0.491 55.578 56.100 -0.052 0.000 1.504 359 R CB 0.133 30.388 30.300 -0.075 0.000 1.314 359 R HN 0.157 nan 8.270 nan 0.000 0.687 360 D N 2.541 122.927 120.400 -0.025 0.000 2.896 360 D HA 0.005 5.063 4.640 0.696 0.000 0.240 360 D C 0.190 176.495 176.300 0.008 0.000 1.193 360 D CA 0.137 54.129 54.000 -0.014 0.000 0.983 360 D CB 0.612 41.403 40.800 -0.015 0.000 1.074 360 D HN 0.573 nan 8.370 nan 0.000 0.496 361 D N -0.659 119.755 120.400 0.025 0.000 2.539 361 D HA -0.012 5.046 4.640 0.696 0.000 0.232 361 D C 0.635 177.012 176.300 0.129 0.000 1.256 361 D CA -0.283 53.753 54.000 0.061 0.000 0.810 361 D CB 0.447 41.282 40.800 0.058 0.000 1.090 361 D HN 0.157 nan 8.370 nan 0.000 0.519 362 L N 1.332 122.602 121.223 0.079 0.000 2.499 362 L HA 0.171 4.928 4.340 0.696 0.000 0.281 362 L C -0.254 176.711 176.870 0.158 0.000 1.234 362 L CA 0.089 54.969 54.840 0.067 0.000 0.839 362 L CB -0.084 41.960 42.059 -0.025 0.000 1.104 362 L HN 0.151 nan 8.230 nan 0.000 0.500 363 Y N -0.764 119.523 120.300 -0.021 0.000 2.565 363 Y HA 0.530 5.497 4.550 0.695 0.000 0.330 363 Y C -1.120 174.766 175.900 -0.022 0.000 1.150 363 Y CA -1.430 56.657 58.100 -0.022 0.000 1.055 363 Y CB 0.732 39.200 38.460 0.013 0.000 1.337 363 Y HN 0.101 nan 8.280 nan 0.000 0.457 364 V N 4.083 123.937 119.914 -0.100 0.000 2.427 364 V HA 0.132 4.670 4.120 0.696 0.000 0.268 364 V C 1.167 177.302 176.094 0.069 0.000 1.046 364 V CA 0.792 63.004 62.300 -0.146 0.000 0.970 364 V CB 0.671 32.389 31.823 -0.175 0.000 1.001 364 V HN 1.070 nan 8.190 nan 0.000 0.476 365 S N 3.545 119.181 115.700 -0.107 0.000 2.345 365 S HA -0.035 4.852 4.470 0.696 0.000 0.219 365 S C 0.561 175.292 174.600 0.218 0.000 1.031 365 S CA 1.015 59.302 58.200 0.145 0.000 0.984 365 S CB 0.124 63.340 63.200 0.026 0.000 0.874 365 S HN 0.757 nan 8.310 nan 0.000 0.451 366 D N -0.622 119.827 120.400 0.082 0.000 2.599 366 D HA 0.704 5.762 4.640 0.696 0.000 0.252 366 D C -1.806 174.343 176.300 -0.253 0.000 1.232 366 D CA -0.071 53.873 54.000 -0.092 0.000 0.819 366 D CB 2.124 42.776 40.800 -0.247 0.000 1.401 366 D HN 0.488 nan 8.370 nan 0.000 0.429 367 A N 1.524 124.097 122.820 -0.412 0.000 2.381 367 A HA 0.683 5.421 4.320 0.696 0.000 0.299 367 A C -1.548 175.747 177.584 -0.482 0.000 1.049 367 A CA -0.566 51.300 52.037 -0.284 0.000 0.715 367 A CB 0.488 19.605 19.000 0.194 0.000 1.222 367 A HN 0.291 nan 8.150 nan 0.000 0.428 368 F N 0.664 120.680 119.950 0.110 0.000 2.492 368 F HA 0.670 5.614 4.527 0.695 0.000 0.327 368 F C 0.363 176.179 175.800 0.027 0.000 1.079 368 F CA -0.280 57.753 58.000 0.055 0.000 0.967 368 F CB 1.906 40.910 39.000 0.007 0.000 1.169 368 F HN 0.761 nan 8.300 nan 0.000 0.472 369 H N 1.211 120.237 119.070 -0.073 0.000 2.747 369 H HA 0.646 5.620 4.556 0.697 0.000 0.371 369 H C -1.442 173.722 175.328 -0.274 0.000 1.161 369 H CA -1.087 54.818 56.048 -0.239 0.000 1.167 369 H CB 1.914 31.393 29.762 -0.471 0.000 1.732 369 H HN 0.628 nan 8.280 nan 0.000 0.544 370 K N 3.126 123.115 120.400 -0.686 0.000 2.589 370 K HA 0.698 5.436 4.320 0.696 0.000 0.253 370 K C -2.115 174.394 176.600 -0.153 0.000 0.974 370 K CA -0.438 55.698 56.287 -0.251 0.000 0.835 370 K CB 1.261 33.703 32.500 -0.095 0.000 1.272 370 K HN 0.662 nan 8.250 nan 0.000 0.444 371 A N 3.296 126.208 122.820 0.155 0.000 2.386 371 A HA 0.881 5.619 4.320 0.696 0.000 0.308 371 A C -1.796 176.098 177.584 0.516 0.000 1.128 371 A CA -0.692 51.567 52.037 0.369 0.000 0.789 371 A CB 0.941 20.208 19.000 0.445 0.000 1.325 371 A HN 0.654 nan 8.150 nan 0.000 0.437 372 F N 0.675 120.848 119.950 0.371 0.000 2.569 372 F HA 0.689 5.636 4.527 0.699 0.000 0.312 372 F C -1.731 174.120 175.800 0.084 0.000 1.109 372 F CA -0.909 57.210 58.000 0.198 0.000 0.919 372 F CB 1.910 40.972 39.000 0.103 0.000 1.211 372 F HN 0.574 nan 8.300 nan 0.000 0.446 373 L N 5.139 125.851 121.223 -0.851 0.000 2.436 373 L HA 0.604 5.361 4.340 0.696 0.000 0.268 373 L C -1.660 174.573 176.870 -1.062 0.000 0.974 373 L CA -0.270 54.038 54.840 -0.886 0.000 0.826 373 L CB 2.020 43.362 42.059 -1.194 0.000 1.291 373 L HN 0.755 nan 8.230 nan 0.000 0.406 374 E N 3.370 123.112 120.200 -0.764 0.000 2.256 374 E HA 0.725 5.493 4.350 0.696 0.000 0.268 374 E C -2.008 174.280 176.600 -0.520 0.000 0.877 374 E CA -0.633 55.386 56.400 -0.636 0.000 0.757 374 E CB 2.073 31.592 29.700 -0.301 0.000 1.183 374 E HN 0.486 nan 8.360 nan 0.000 0.418 375 V N 4.698 124.229 119.914 -0.637 0.000 2.656 375 V HA 0.576 5.114 4.120 0.696 0.000 0.307 375 V C -0.470 175.516 176.094 -0.180 0.000 1.051 375 V CA -0.670 61.414 62.300 -0.360 0.000 0.893 375 V CB 1.680 33.311 31.823 -0.320 0.000 0.999 375 V HN 0.883 nan 8.190 nan 0.000 0.426 376 N N 2.363 121.045 118.700 -0.031 0.000 3.316 376 N HA 0.339 5.496 4.740 0.696 0.000 0.300 376 N C 0.307 175.932 175.510 0.191 0.000 1.567 376 N CA -0.805 52.263 53.050 0.030 0.000 0.821 376 N CB 0.937 39.426 38.487 0.004 0.000 1.748 376 N HN 0.258 nan 8.380 nan 0.000 0.603 377 E N -0.225 120.088 120.200 0.189 0.000 2.110 377 E HA -0.091 4.677 4.350 0.696 0.000 0.193 377 E C 0.817 177.718 176.600 0.502 0.000 0.988 377 E CA 1.597 58.215 56.400 0.363 0.000 0.804 377 E CB -0.051 29.804 29.700 0.257 0.000 0.745 377 E HN 0.623 nan 8.360 nan 0.000 0.458 378 E N -0.683 119.683 120.200 0.277 0.000 2.033 378 E HA 0.139 4.906 4.350 0.696 0.000 0.189 378 E C 1.037 177.701 176.600 0.108 0.000 0.979 378 E CA 1.146 57.671 56.400 0.209 0.000 0.802 378 E CB 0.048 29.811 29.700 0.104 0.000 0.763 378 E HN 0.247 nan 8.360 nan 0.000 0.449 379 G N -1.356 107.327 108.800 -0.195 0.000 2.635 379 G HA2 0.432 4.810 3.960 0.696 0.000 0.194 379 G HA3 0.432 4.810 3.960 0.696 0.000 0.194 379 G C -1.178 173.303 174.900 -0.698 0.000 1.198 379 G CA -0.081 44.591 45.100 -0.713 0.000 0.972 379 G HN 0.024 nan 8.290 nan 0.000 0.520 380 S N -0.491 114.937 115.700 -0.454 0.000 2.548 380 S HA 0.634 5.521 4.470 0.696 0.000 0.276 380 S C -1.486 172.912 174.600 -0.336 0.000 1.129 380 S CA -0.476 57.555 58.200 -0.281 0.000 0.931 380 S CB 1.870 65.056 63.200 -0.024 0.000 1.068 380 S HN 0.523 nan 8.310 nan 0.000 0.480 381 E N 1.517 121.565 120.200 -0.252 0.000 2.212 381 E HA 0.767 5.535 4.350 0.696 0.000 0.268 381 E C -1.245 175.269 176.600 -0.142 0.000 0.902 381 E CA -0.748 55.503 56.400 -0.249 0.000 0.779 381 E CB 1.832 31.489 29.700 -0.071 0.000 1.172 381 E HN 0.717 nan 8.360 nan 0.000 0.409 382 A N 1.871 124.578 122.820 -0.188 0.000 2.547 382 A HA 0.812 5.550 4.320 0.696 0.000 0.297 382 A C -1.653 175.871 177.584 -0.100 0.000 1.056 382 A CA -0.151 51.739 52.037 -0.245 0.000 0.688 382 A CB 1.718 20.194 19.000 -0.872 0.000 1.282 382 A HN 0.596 nan 8.150 nan 0.000 0.400 383 A N 0.224 123.169 122.820 0.207 0.000 2.566 383 A HA 1.106 5.844 4.320 0.696 0.000 0.292 383 A C -0.372 177.522 177.584 0.516 0.000 1.112 383 A CA -0.048 52.242 52.037 0.421 0.000 0.707 383 A CB 1.422 20.632 19.000 0.351 0.000 1.302 383 A HN 2.774 nan 8.150 nan 0.000 0.409 384 A N -0.371 122.693 122.820 0.407 0.000 2.566 384 A HA 0.945 5.683 4.320 0.696 0.000 0.290 384 A C -0.595 177.035 177.584 0.077 0.000 1.071 384 A CA 0.218 52.404 52.037 0.248 0.000 0.658 384 A CB 0.797 20.025 19.000 0.381 0.000 1.285 384 A HN 2.496 nan 8.150 nan 0.000 0.427 385 S N -0.739 114.895 115.700 -0.110 0.000 2.558 385 S HA 0.755 5.643 4.470 0.696 0.000 0.277 385 S C -1.180 173.364 174.600 -0.094 0.000 1.143 385 S CA 0.147 58.318 58.200 -0.049 0.000 0.865 385 S CB 1.643 64.835 63.200 -0.013 0.000 1.102 385 S HN 1.369 nan 8.310 nan 0.000 0.454 386 T N 2.639 117.235 114.554 0.070 0.000 2.876 386 T HA 0.836 5.604 4.350 0.696 0.000 0.289 386 T C -0.791 173.960 174.700 0.086 0.000 1.014 386 T CA -0.426 61.760 62.100 0.143 0.000 0.986 386 T CB 1.560 70.555 68.868 0.213 0.000 1.021 386 T HN 1.180 nan 8.240 nan 0.000 0.458 387 A N 2.486 125.367 122.820 0.101 0.000 2.385 387 A HA 0.697 5.434 4.320 0.696 0.000 0.290 387 A C -0.788 176.820 177.584 0.040 0.000 1.094 387 A CA -0.609 51.479 52.037 0.084 0.000 0.729 387 A CB 0.932 20.015 19.000 0.139 0.000 1.194 387 A HN 0.664 nan 8.150 nan 0.000 0.442 388 V N 3.563 123.429 119.914 -0.081 0.000 2.370 388 V HA 0.478 5.015 4.120 0.696 0.000 0.279 388 V C 0.314 176.349 176.094 -0.099 0.000 1.029 388 V CA -0.505 61.697 62.300 -0.164 0.000 0.870 388 V CB 1.341 32.931 31.823 -0.388 0.000 0.984 388 V HN 1.017 nan 8.190 nan 0.000 0.451 389 V N 5.579 125.452 119.914 -0.069 0.000 2.370 389 V HA 0.577 5.115 4.120 0.696 0.000 0.279 389 V C -0.272 175.729 176.094 -0.156 0.000 1.029 389 V CA -0.414 61.832 62.300 -0.089 0.000 0.870 389 V CB 1.328 33.121 31.823 -0.050 0.000 0.984 389 V HN 0.608 nan 8.190 nan 0.000 0.451 390 I N 5.647 126.108 120.570 -0.182 0.000 2.297 390 I HA 0.577 5.164 4.170 0.696 0.000 0.291 390 I C 0.907 176.831 176.117 -0.321 0.000 1.033 390 I CA 0.361 61.514 61.300 -0.244 0.000 1.253 390 I CB 0.208 38.120 38.000 -0.148 0.000 1.396 390 I HN 1.258 nan 8.210 nan 0.000 0.476 391 A N 4.534 127.003 122.820 -0.585 0.000 2.381 391 A HA 0.096 4.834 4.320 0.696 0.000 0.283 391 A C 0.593 178.019 177.584 -0.262 0.000 1.419 391 A CA 0.617 52.310 52.037 -0.573 0.000 0.727 391 A CB -1.728 17.092 19.000 -0.300 0.000 1.152 391 A HN 1.095 nan 8.150 nan 0.000 0.366 392 G N 0.019 108.710 108.800 -0.181 0.000 3.187 392 G HA2 0.679 5.057 3.960 0.696 0.000 0.175 392 G HA3 0.679 5.057 3.960 0.696 0.000 0.175 392 G C -0.240 174.688 174.900 0.047 0.000 1.112 392 G CA 0.041 45.102 45.100 -0.064 0.000 0.821 392 G HN 1.117 nan 8.290 nan 0.000 0.636 393 R N 0.742 121.281 120.500 0.066 0.000 2.343 393 R HA 0.500 5.257 4.340 0.696 0.000 0.320 393 R C -0.565 175.816 176.300 0.134 0.000 0.956 393 R CA -0.269 55.892 56.100 0.103 0.000 0.836 393 R CB 1.157 31.502 30.300 0.076 0.000 1.151 393 R HN 0.485 nan 8.270 nan 0.000 0.450 394 S N 6.046 121.831 115.700 0.142 0.000 2.414 394 S HA 0.261 5.149 4.470 0.696 0.000 0.290 394 S C 0.045 174.709 174.600 0.107 0.000 1.160 394 S CA -0.853 57.423 58.200 0.127 0.000 1.069 394 S CB -0.111 63.161 63.200 0.120 0.000 1.012 394 S HN 0.504 nan 8.310 nan 0.000 0.510 395 L N 0.824 122.126 121.223 0.132 0.000 2.334 395 L HA 0.733 5.491 4.340 0.696 0.000 0.273 395 L C -0.435 176.502 176.870 0.112 0.000 1.013 395 L CA -1.186 53.722 54.840 0.113 0.000 0.816 395 L CB 0.959 43.090 42.059 0.120 0.000 1.278 395 L HN 0.578 nan 8.230 nan 0.000 0.431 396 N N 1.014 119.762 118.700 0.081 0.000 2.462 396 N HA 0.597 5.754 4.740 0.696 0.000 0.242 396 N C -2.340 173.220 175.510 0.082 0.000 1.010 396 N CA -1.113 51.981 53.050 0.074 0.000 0.939 396 N CB 0.641 39.155 38.487 0.046 0.000 1.127 396 N HN 0.632 nan 8.380 nan 0.000 0.509 397 P HA 0.147 nan 4.420 nan 0.000 0.297 397 P C -0.530 176.821 177.300 0.086 0.000 1.303 397 P CA -0.679 62.488 63.100 0.111 0.000 0.753 397 P CB 0.398 32.202 31.700 0.173 0.000 1.281 398 N N 0.400 119.146 118.700 0.077 0.000 2.068 398 N HA -0.155 5.002 4.740 0.696 0.000 0.290 398 N C 0.596 176.140 175.510 0.056 0.000 1.372 398 N CA 0.502 53.586 53.050 0.056 0.000 0.863 398 N CB -0.087 38.432 38.487 0.053 0.000 1.174 398 N HN 0.197 nan 8.380 nan 0.000 0.494 399 R N 2.292 122.813 120.500 0.035 0.000 2.466 399 R HA 0.191 4.948 4.340 0.696 0.000 0.279 399 R C -0.705 175.605 176.300 0.016 0.000 0.976 399 R CA -0.085 56.030 56.100 0.026 0.000 1.081 399 R CB 0.331 30.643 30.300 0.020 0.000 1.215 399 R HN 0.292 nan 8.270 nan 0.000 0.546 400 V N 0.270 120.190 119.914 0.011 0.000 2.697 400 V HA 0.314 4.851 4.120 0.696 0.000 0.300 400 V C -1.187 174.894 176.094 -0.023 0.000 1.115 400 V CA -0.290 62.012 62.300 0.002 0.000 0.912 400 V CB 2.444 34.270 31.823 0.005 0.000 1.024 400 V HN 0.050 nan 8.190 nan 0.000 0.431 401 T N 6.388 120.933 114.554 -0.015 0.000 2.909 401 T HA 0.574 5.342 4.350 0.696 0.000 0.299 401 T C -0.616 174.123 174.700 0.065 0.000 1.073 401 T CA -0.457 61.595 62.100 -0.079 0.000 0.999 401 T CB 1.194 70.020 68.868 -0.070 0.000 1.098 401 T HN 0.686 nan 8.240 nan 0.000 0.477 402 F N 0.208 120.170 119.950 0.019 0.000 2.623 402 F HA 0.453 5.397 4.527 0.695 0.000 0.386 402 F C 0.309 176.118 175.800 0.014 0.000 1.068 402 F CA -1.847 56.162 58.000 0.015 0.000 1.265 402 F CB -1.236 37.771 39.000 0.012 0.000 1.026 402 F HN 0.531 nan 8.300 nan 0.000 0.568 403 K N 2.396 122.930 120.400 0.224 0.000 2.263 403 K HA 0.870 5.608 4.320 0.696 0.000 0.272 403 K C -0.570 176.070 176.600 0.066 0.000 1.033 403 K CA -0.269 56.088 56.287 0.116 0.000 0.884 403 K CB 0.875 33.424 32.500 0.082 0.000 1.107 403 K HN 1.387 nan 8.250 nan 0.000 0.460 404 A N 1.667 124.506 122.820 0.032 0.000 2.486 404 A HA 0.811 5.548 4.320 0.696 0.000 0.289 404 A C -0.754 176.901 177.584 0.119 0.000 1.176 404 A CA -0.760 51.318 52.037 0.069 0.000 0.757 404 A CB 1.400 20.401 19.000 0.002 0.000 1.337 404 A HN 0.699 nan 8.150 nan 0.000 0.423 405 N N 0.089 118.898 118.700 0.181 0.000 2.472 405 N HA 0.483 5.641 4.740 0.696 0.000 0.289 405 N C -0.674 174.932 175.510 0.161 0.000 1.156 405 N CA -0.220 52.890 53.050 0.101 0.000 0.940 405 N CB 0.675 39.151 38.487 -0.018 0.000 1.200 405 N HN 0.608 nan 8.380 nan 0.000 0.511 406 R N -0.847 119.709 120.500 0.092 0.000 3.055 406 R HA -0.084 4.673 4.340 0.696 0.000 0.265 406 R C -2.387 174.018 176.300 0.175 0.000 0.947 406 R CA -0.017 56.146 56.100 0.105 0.000 0.652 406 R CB -1.887 28.449 30.300 0.059 0.000 1.367 406 R HN 0.542 nan 8.270 nan 0.000 0.441 407 P HA 0.329 nan 4.420 nan 0.000 0.284 407 P C -0.482 176.922 177.300 0.173 0.000 1.258 407 P CA -0.373 62.782 63.100 0.092 0.000 0.824 407 P CB 0.566 32.279 31.700 0.020 0.000 1.038 408 F N -0.081 119.867 119.950 -0.004 0.000 2.561 408 F HA 0.634 5.564 4.527 0.671 0.000 0.321 408 F C -0.938 174.877 175.800 0.026 0.000 1.065 408 F CA -1.719 56.286 58.000 0.009 0.000 0.934 408 F CB 0.667 39.665 39.000 -0.003 0.000 1.215 408 F HN 0.010 nan 8.300 nan 0.000 0.471 409 L N 3.395 124.728 121.223 0.183 0.000 2.326 409 L HA 0.684 5.442 4.340 0.696 0.000 0.278 409 L C -0.284 176.676 176.870 0.150 0.000 1.092 409 L CA -1.137 53.735 54.840 0.054 0.000 0.810 409 L CB 1.439 43.562 42.059 0.106 0.000 1.153 409 L HN 0.711 nan 8.230 nan 0.000 0.439 410 V N 3.727 123.640 119.914 -0.002 0.000 2.769 410 V HA 0.617 5.155 4.120 0.696 0.000 0.312 410 V C -1.301 174.806 176.094 0.021 0.000 1.061 410 V CA -0.355 62.054 62.300 0.182 0.000 0.931 410 V CB 2.115 34.077 31.823 0.231 0.000 1.010 410 V HN 0.518 nan 8.190 nan 0.000 0.433 411 F N 5.388 125.503 119.950 0.275 0.000 2.574 411 F HA 0.602 5.465 4.527 0.560 0.000 0.313 411 F C -0.173 175.794 175.800 0.278 0.000 1.130 411 F CA -0.437 57.710 58.000 0.245 0.000 0.936 411 F CB 2.121 41.227 39.000 0.178 0.000 1.219 411 F HN 0.257 nan 8.300 nan 0.000 0.445 412 I N 4.829 125.670 120.570 0.452 0.000 2.428 412 I HA 0.382 4.970 4.170 0.696 0.000 0.279 412 I C -0.368 175.887 176.117 0.230 0.000 1.040 412 I CA -0.539 60.962 61.300 0.335 0.000 1.171 412 I CB 0.770 38.931 38.000 0.269 0.000 1.312 412 I HN 0.577 nan 8.210 nan 0.000 0.470 413 R N 4.725 125.358 120.500 0.222 0.000 2.720 413 R HA 0.569 5.327 4.340 0.696 0.000 0.272 413 R C -0.620 175.749 176.300 0.115 0.000 0.991 413 R CA -0.790 55.402 56.100 0.152 0.000 1.010 413 R CB 1.991 32.377 30.300 0.144 0.000 1.141 413 R HN 0.344 nan 8.270 nan 0.000 0.494 414 E N 1.887 122.137 120.200 0.083 0.000 2.156 414 E HA 0.126 4.894 4.350 0.696 0.000 0.279 414 E C 0.452 177.104 176.600 0.088 0.000 0.965 414 E CA -0.527 55.920 56.400 0.078 0.000 0.789 414 E CB 2.014 31.741 29.700 0.045 0.000 1.098 414 E HN 0.556 nan 8.360 nan 0.000 0.397 415 V N 6.228 126.203 119.914 0.102 0.000 2.239 415 V HA -0.116 4.422 4.120 0.696 0.000 0.242 415 V C -1.037 175.111 176.094 0.091 0.000 1.038 415 V CA 1.338 63.697 62.300 0.098 0.000 1.002 415 V CB -1.349 30.538 31.823 0.106 0.000 0.641 415 V HN 0.624 nan 8.190 nan 0.000 0.449 416 P HA -0.161 nan 4.420 nan 0.000 0.214 416 P C 1.757 179.122 177.300 0.108 0.000 1.169 416 P CA 1.658 64.808 63.100 0.083 0.000 0.908 416 P CB -0.150 31.593 31.700 0.072 0.000 0.791 417 L N -2.084 119.201 121.223 0.104 0.000 2.478 417 L HA 0.085 4.842 4.340 0.696 0.000 0.223 417 L C 0.765 177.704 176.870 0.115 0.000 1.140 417 L CA 0.452 55.368 54.840 0.126 0.000 0.842 417 L CB -0.964 41.144 42.059 0.081 0.000 0.953 417 L HN 0.080 nan 8.230 nan 0.000 0.452 418 N N 0.796 119.552 118.700 0.093 0.000 2.735 418 N HA -0.138 5.020 4.740 0.696 0.000 0.248 418 N C -0.350 175.179 175.510 0.031 0.000 1.083 418 N CA 1.096 54.186 53.050 0.067 0.000 0.703 418 N CB -0.699 37.837 38.487 0.081 0.000 1.005 418 N HN 0.402 nan 8.380 nan 0.000 0.550 419 T N -0.180 114.395 114.554 0.036 0.000 2.845 419 T HA 0.565 5.333 4.350 0.696 0.000 0.288 419 T C 1.020 175.752 174.700 0.054 0.000 0.980 419 T CA -0.574 61.543 62.100 0.028 0.000 1.071 419 T CB 1.740 70.619 68.868 0.019 0.000 0.941 419 T HN 0.154 nan 8.240 nan 0.000 0.487 420 I N 3.666 124.278 120.570 0.070 0.000 2.281 420 I HA 0.196 4.784 4.170 0.696 0.000 0.293 420 I C 1.124 177.279 176.117 0.063 0.000 1.085 420 I CA -0.442 60.930 61.300 0.121 0.000 1.257 420 I CB 0.226 38.333 38.000 0.178 0.000 1.430 420 I HN 0.692 nan 8.210 nan 0.000 0.489 421 I N 5.017 125.598 120.570 0.019 0.000 2.193 421 I HA -0.065 4.523 4.170 0.696 0.000 0.240 421 I C 0.308 176.181 176.117 -0.407 0.000 1.084 421 I CA 1.388 62.589 61.300 -0.165 0.000 1.365 421 I CB -0.025 37.876 38.000 -0.166 0.000 1.064 421 I HN 0.281 nan 8.210 nan 0.000 0.410 422 F N 0.475 120.454 119.950 0.048 0.000 2.579 422 F HA 0.638 5.578 4.527 0.689 0.000 0.324 422 F C -0.038 175.765 175.800 0.006 0.000 1.058 422 F CA -0.888 57.092 58.000 -0.034 0.000 0.944 422 F CB 1.825 40.836 39.000 0.017 0.000 1.245 422 F HN -0.166 nan 8.300 nan 0.000 0.477 423 M N 1.262 120.895 119.600 0.055 0.000 2.534 423 M HA 0.881 5.779 4.480 0.696 0.000 0.280 423 M C -1.124 175.162 176.300 -0.024 0.000 1.217 423 M CA -0.245 54.996 55.300 -0.098 0.000 0.893 423 M CB 2.527 35.010 32.600 -0.194 0.000 1.730 423 M HN 0.813 nan 8.290 nan 0.000 0.483 424 G N 1.585 110.332 108.800 -0.088 0.000 2.335 424 G HA2 0.430 4.807 3.960 0.696 0.000 0.291 424 G HA3 0.430 4.807 3.960 0.696 0.000 0.291 424 G C -2.321 172.617 174.900 0.063 0.000 1.261 424 G CA -0.950 44.273 45.100 0.206 0.000 0.871 424 G HN 0.846 nan 8.290 nan 0.000 0.491 425 R N -0.037 120.542 120.500 0.131 0.000 2.510 425 R HA 0.522 5.280 4.340 0.696 0.000 0.294 425 R C -1.336 174.857 176.300 -0.178 0.000 1.056 425 R CA -0.438 55.645 56.100 -0.027 0.000 0.918 425 R CB 1.893 32.257 30.300 0.106 0.000 1.187 425 R HN 0.414 nan 8.270 nan 0.000 0.437 426 V N 4.776 124.379 119.914 -0.520 0.000 2.339 426 V HA 0.251 4.789 4.120 0.696 0.000 0.261 426 V C 0.997 176.782 176.094 -0.514 0.000 1.058 426 V CA 0.090 61.981 62.300 -0.682 0.000 0.897 426 V CB 0.695 31.728 31.823 -1.317 0.000 1.052 426 V HN 0.937 nan 8.190 nan 0.000 0.480 427 A N 4.260 126.909 122.820 -0.285 0.000 1.901 427 A HA 0.114 4.851 4.320 0.696 0.000 0.210 427 A C 1.124 178.562 177.584 -0.245 0.000 1.208 427 A CA 0.391 52.337 52.037 -0.153 0.000 0.644 427 A CB -0.142 18.817 19.000 -0.069 0.000 0.863 427 A HN 0.701 nan 8.150 nan 0.000 0.454 428 N N 0.588 119.047 118.700 -0.402 0.000 2.485 428 N HA 0.306 5.464 4.740 0.696 0.000 0.243 428 N C -2.042 173.084 175.510 -0.641 0.000 0.987 428 N CA -1.679 50.985 53.050 -0.643 0.000 0.940 428 N CB 1.655 39.667 38.487 -0.792 0.000 1.122 428 N HN 0.073 nan 8.380 nan 0.000 0.509 429 P HA 0.106 nan 4.420 nan 0.000 0.234 429 P C -0.163 176.906 177.300 -0.386 0.000 1.175 429 P CA -0.032 62.697 63.100 -0.618 0.000 0.801 429 P CB 0.173 31.528 31.700 -0.575 0.000 0.891 430 c N 1.200 119.503 118.600 -0.496 0.000 2.611 430 c HA 0.243 5.230 4.570 0.696 0.000 0.416 430 c C 1.152 175.152 174.090 -0.149 0.000 1.366 430 c CA 0.073 56.237 56.329 -0.275 0.000 1.761 430 c CB -0.622 41.725 42.510 -0.271 0.000 2.619 430 c HN 0.052 nan 8.230 nan 0.000 0.606 431 V N 0.000 119.880 119.914 -0.057 0.000 2.409 431 V HA 0.000 4.538 4.120 0.696 0.000 0.244 431 V CA 0.000 62.298 62.300 -0.003 0.000 1.235 431 V CB 0.000 31.837 31.823 0.023 0.000 1.184 431 V HN 0.000 nan 8.190 nan 0.000 0.556