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 2x0b_1_H DATA FIRST_RESID 3 DATA SEQUENCE VYIHPFHLVI HNESTcXXXX XXXXXXXXDP TFIPAPIQAK TSPVNEKALQ DATA SEQUENCE DQLVLVAAKL DTEDKLRAAM VGMLANFLGF RIYGMHSELW GVVHGATVLS DATA SEQUENCE PTAVFGTLAS LYLGALDHTA DRLQAILGVP WKDKNcTSRL DAHKVLSALQ DATA SEQUENCE AVQGLLVAQG RADSQAQLLL STVVGVFTAP GLHLKQPFVQ GLALYTPVVL DATA SEQUENCE PRSLDFTELD VAAEKIDRFM QAVTGWKTGC SLMGASVDST LAFNTYVHFQ DATA SEQUENCE GKMKGFSLLA EPQEFWVDNS TSVSVPMLSG MGTFQHWSDI QDNFSVTQVP DATA SEQUENCE FTESACLLLI QPHYASDLDK VEGLTFQQNS LNWMKKLSPR TIHLTMPQLV DATA SEQUENCE LQGSYDLQDL LAQAELPAIL HTELNLQKLS NDRIRVGEVL NSIFFELEAD DATA SEQUENCE EXXXXXXXXX XXXPEVLEVT LNRPFLFAVY DQSATALHFL GRVANPL 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 3 V HA 0.000 nan 4.120 nan 0.000 0.244 3 V C 0.000 175.686 176.094 -0.680 0.000 1.182 3 V CA 0.000 62.106 62.300 -0.324 0.000 1.235 3 V CB 0.000 31.410 31.823 -0.688 0.000 1.184 4 Y N 4.227 124.611 120.300 0.140 0.000 2.607 4 Y HA 0.496 5.046 4.550 0.000 0.000 0.315 4 Y C -0.055 175.969 175.900 0.206 0.000 0.913 4 Y CA -0.345 57.867 58.100 0.187 0.000 0.892 4 Y CB -0.735 37.835 38.460 0.184 0.000 1.403 4 Y HN 0.452 nan 8.280 nan 0.000 0.563 5 I N 1.811 122.734 120.570 0.588 0.000 3.210 5 I HA 0.546 4.716 4.170 0.000 0.000 0.316 5 I C -0.633 175.684 176.117 0.332 0.000 1.067 5 I CA -0.642 60.874 61.300 0.361 0.000 1.047 5 I CB 0.923 39.081 38.000 0.263 0.000 1.352 5 I HN 0.240 nan 8.210 nan 0.000 0.565 6 H N 2.184 121.362 119.070 0.180 0.000 3.224 6 H HA 0.426 4.982 4.556 0.000 0.000 0.331 6 H C -2.658 172.737 175.328 0.113 0.000 1.002 6 H CA -1.461 54.653 56.048 0.109 0.000 1.473 6 H CB 1.177 30.998 29.762 0.098 0.000 1.830 6 H HN 0.304 nan 8.280 nan 0.000 0.485 7 P HA 0.221 nan 4.420 nan 0.000 0.282 7 P C -1.040 176.134 177.300 -0.210 0.000 1.249 7 P CA -0.360 62.668 63.100 -0.121 0.000 0.806 7 P CB 1.054 32.678 31.700 -0.127 0.000 0.984 8 F N 1.196 121.147 119.950 0.000 0.000 2.404 8 F HA 0.224 4.751 4.527 -0.000 0.000 0.354 8 F C 1.050 176.877 175.800 0.045 0.000 1.122 8 F CA -0.239 57.791 58.000 0.051 0.000 1.080 8 F CB 0.827 39.856 39.000 0.049 0.000 1.131 8 F HN 0.368 nan 8.300 nan 0.000 0.471 9 H N 6.175 125.287 119.070 0.071 0.000 2.691 9 H HA 0.330 4.886 4.556 0.000 0.000 0.281 9 H C -0.642 174.738 175.328 0.086 0.000 1.121 9 H CA -0.233 55.845 56.048 0.050 0.000 1.254 9 H CB 0.718 30.471 29.762 -0.015 0.000 1.390 9 H HN 0.591 nan 8.280 nan 0.000 0.491 10 L N 6.330 127.534 121.223 -0.032 0.000 2.719 10 L HA 0.194 4.534 4.340 0.000 0.000 0.236 10 L C -0.339 176.529 176.870 -0.004 0.000 1.285 10 L CA -0.351 54.511 54.840 0.038 0.000 1.222 10 L CB 0.425 42.506 42.059 0.036 0.000 1.493 10 L HN 0.260 nan 8.230 nan 0.000 0.415 11 V N 1.912 121.873 119.914 0.079 0.000 2.293 11 V HA 0.246 4.366 4.120 0.000 0.000 0.275 11 V C 0.459 176.688 176.094 0.226 0.000 1.021 11 V CA -0.540 61.830 62.300 0.116 0.000 0.815 11 V CB 2.118 34.051 31.823 0.183 0.000 1.025 11 V HN 0.372 nan 8.190 nan 0.000 0.448 12 I N 6.699 127.359 120.570 0.150 0.000 2.752 12 I HA 0.222 4.392 4.170 0.000 0.000 0.287 12 I C 0.181 176.412 176.117 0.190 0.000 1.188 12 I CA 0.536 61.917 61.300 0.135 0.000 1.427 12 I CB 0.108 38.135 38.000 0.045 0.000 1.365 12 I HN 0.825 nan 8.210 nan 0.000 0.585 13 H N 5.096 124.192 119.070 0.043 0.000 2.985 13 H HA 0.315 4.871 4.556 -0.000 0.000 0.360 13 H C -1.365 173.980 175.328 0.028 0.000 1.221 13 H CA -1.152 54.918 56.048 0.036 0.000 1.121 13 H CB 0.403 30.188 29.762 0.039 0.000 1.854 13 H HN 0.543 nan 8.280 nan 0.000 0.551 14 N N 1.985 120.723 118.700 0.062 0.000 2.400 14 N HA -0.009 4.731 4.740 0.000 0.000 0.267 14 N C -0.597 174.917 175.510 0.006 0.000 1.208 14 N CA -0.092 52.958 53.050 -0.000 0.000 0.951 14 N CB 0.799 39.307 38.487 0.035 0.000 1.227 14 N HN 0.454 nan 8.380 nan 0.000 0.488 15 E N 1.297 121.432 120.200 -0.109 0.000 3.593 15 E HA -0.200 4.150 4.350 0.000 0.000 0.311 15 E C -0.205 176.434 176.600 0.064 0.000 0.834 15 E CA 0.621 56.988 56.400 -0.055 0.000 1.014 15 E CB 0.265 29.938 29.700 -0.046 0.000 1.006 15 E HN 0.570 nan 8.360 nan 0.000 0.521 16 S N 0.898 116.666 115.700 0.114 0.000 2.973 16 S HA 0.780 5.250 4.470 0.000 0.000 0.317 16 S C -0.441 174.211 174.600 0.087 0.000 1.196 16 S CA -0.398 57.863 58.200 0.102 0.000 0.894 16 S CB 2.072 65.346 63.200 0.123 0.000 1.292 16 S HN 0.797 nan 8.310 nan 0.000 0.614 17 T N -2.544 112.052 114.554 0.070 0.000 2.654 17 T HA 0.324 4.674 4.350 0.000 0.000 0.243 17 T C -0.021 174.710 174.700 0.052 0.000 2.213 17 T CA -0.487 61.652 62.100 0.064 0.000 0.955 17 T CB -1.072 67.833 68.868 0.061 0.000 2.347 17 T HN 1.331 nan 8.240 nan 0.000 0.371 32 P HA 0.278 nan 4.420 nan 0.000 0.283 32 P C -0.199 177.206 177.300 0.175 0.000 1.412 32 P CA -0.316 62.850 63.100 0.110 0.000 0.912 32 P CB 0.553 32.315 31.700 0.103 0.000 1.132 33 T N 0.686 115.329 114.554 0.149 0.000 2.788 33 T HA 0.644 4.994 4.350 0.000 0.000 0.287 33 T C -0.051 174.821 174.700 0.287 0.000 1.007 33 T CA -0.494 61.701 62.100 0.159 0.000 1.005 33 T CB 0.493 69.416 68.868 0.093 0.000 1.012 33 T HN 0.366 nan 8.240 nan 0.000 0.530 34 F N -1.230 118.780 119.950 0.101 0.000 2.615 34 F HA 0.668 5.195 4.527 -0.000 0.000 0.312 34 F C -1.399 174.388 175.800 -0.021 0.000 1.119 34 F CA -1.730 56.305 58.000 0.059 0.000 0.979 34 F CB 0.879 39.900 39.000 0.036 0.000 1.266 34 F HN 0.538 nan 8.300 nan 0.000 0.444 35 I N 5.065 125.622 120.570 -0.020 0.000 2.371 35 I HA 0.299 4.469 4.170 0.000 0.000 0.290 35 I C -1.875 174.286 176.117 0.074 0.000 1.028 35 I CA -1.771 59.427 61.300 -0.171 0.000 1.345 35 I CB 1.371 39.189 38.000 -0.304 0.000 1.407 35 I HN 0.474 nan 8.210 nan 0.000 0.501 36 P HA 0.251 nan 4.420 nan 0.000 0.277 36 P C -0.600 176.724 177.300 0.040 0.000 1.240 36 P CA -0.423 62.752 63.100 0.126 0.000 0.798 36 P CB 1.074 32.821 31.700 0.078 0.000 0.979 37 A N 4.156 126.998 122.820 0.037 0.000 2.327 37 A HA 0.480 4.800 4.320 0.000 0.000 0.255 37 A C -2.028 175.540 177.584 -0.026 0.000 1.099 37 A CA -1.224 50.815 52.037 0.003 0.000 0.801 37 A CB -1.264 17.740 19.000 0.006 0.000 1.062 37 A HN 0.475 nan 8.150 nan 0.000 0.496 38 P HA 0.151 nan 4.420 nan 0.000 0.274 38 P C 0.793 178.037 177.300 -0.094 0.000 1.237 38 P CA -0.170 62.893 63.100 -0.062 0.000 0.793 38 P CB 0.423 32.095 31.700 -0.047 0.000 0.977 39 I N -1.143 119.328 120.570 -0.166 0.000 2.830 39 I HA -0.155 4.015 4.170 0.000 0.000 0.263 39 I C 2.138 178.234 176.117 -0.035 0.000 1.230 39 I CA 0.884 62.031 61.300 -0.256 0.000 1.480 39 I CB -0.735 36.960 38.000 -0.508 0.000 1.095 39 I HN 0.312 nan 8.210 nan 0.000 0.455 40 Q N 2.313 122.094 119.800 -0.032 0.000 2.234 40 Q HA -0.058 4.282 4.340 0.000 0.000 0.206 40 Q C 1.303 177.317 176.000 0.023 0.000 0.980 40 Q CA 0.972 56.776 55.803 0.002 0.000 0.869 40 Q CB -0.063 28.665 28.738 -0.017 0.000 0.912 40 Q HN 0.727 nan 8.270 nan 0.000 0.436 41 A N 1.489 124.322 122.820 0.021 0.000 2.540 41 A HA 0.020 4.340 4.320 0.000 0.000 0.239 41 A C -0.508 177.113 177.584 0.062 0.000 1.061 41 A CA 0.151 52.207 52.037 0.031 0.000 0.758 41 A CB 0.160 19.174 19.000 0.024 0.000 0.991 41 A HN 0.283 nan 8.150 nan 0.000 0.502 42 K N 2.510 122.931 120.400 0.035 0.000 2.294 42 K HA 0.172 4.492 4.320 0.000 0.000 0.288 42 K C -0.417 176.200 176.600 0.028 0.000 1.072 42 K CA 0.426 56.728 56.287 0.025 0.000 0.960 42 K CB 0.056 32.556 32.500 -0.000 0.000 1.043 42 K HN 0.661 nan 8.250 nan 0.000 0.455 43 T N 1.760 116.343 114.554 0.049 0.000 2.767 43 T HA 0.116 4.466 4.350 0.000 0.000 0.284 43 T C 0.259 174.920 174.700 -0.066 0.000 0.973 43 T CA -0.806 61.309 62.100 0.024 0.000 0.996 43 T CB 1.122 70.061 68.868 0.118 0.000 0.927 43 T HN 0.574 nan 8.240 nan 0.000 0.456 44 S N 4.579 120.237 115.700 -0.071 0.000 2.572 44 S HA 0.363 4.833 4.470 0.000 0.000 0.279 44 S C -2.122 172.387 174.600 -0.152 0.000 1.341 44 S CA -1.143 56.996 58.200 -0.100 0.000 1.043 44 S CB -0.081 63.072 63.200 -0.077 0.000 0.887 44 S HN 0.502 nan 8.310 nan 0.000 0.516 45 P HA 0.220 nan 4.420 nan 0.000 0.274 45 P C -0.645 176.532 177.300 -0.206 0.000 1.246 45 P CA -0.679 62.277 63.100 -0.241 0.000 0.795 45 P CB 0.363 31.915 31.700 -0.247 0.000 1.006 46 V N 2.647 122.412 119.914 -0.248 0.000 2.479 46 V HA 0.010 4.130 4.120 0.000 0.000 0.281 46 V C 1.189 177.201 176.094 -0.137 0.000 1.031 46 V CA -0.138 62.055 62.300 -0.178 0.000 1.038 46 V CB -0.567 31.148 31.823 -0.181 0.000 0.981 46 V HN 0.572 nan 8.190 nan 0.000 0.478 47 N N 4.265 122.911 118.700 -0.090 0.000 2.421 47 N HA 0.009 4.749 4.740 0.000 0.000 0.260 47 N C 1.087 176.577 175.510 -0.034 0.000 1.173 47 N CA 0.253 53.265 53.050 -0.064 0.000 0.960 47 N CB 0.698 39.154 38.487 -0.052 0.000 1.273 47 N HN 0.798 nan 8.380 nan 0.000 0.497 48 E N 3.201 123.389 120.200 -0.020 0.000 2.150 48 E HA -0.148 4.202 4.350 0.000 0.000 0.193 48 E C 1.045 177.653 176.600 0.012 0.000 0.985 48 E CA 1.107 57.523 56.400 0.027 0.000 0.814 48 E CB 0.356 30.099 29.700 0.071 0.000 0.752 48 E HN 0.528 nan 8.360 nan 0.000 0.466 49 K N 0.096 120.493 120.400 -0.005 0.000 2.002 49 K HA -0.124 4.196 4.320 0.000 0.000 0.209 49 K C 2.221 178.814 176.600 -0.011 0.000 1.048 49 K CA 1.137 57.418 56.287 -0.010 0.000 0.930 49 K CB -0.206 32.285 32.500 -0.016 0.000 0.714 49 K HN 0.094 nan 8.250 nan 0.000 0.438 50 A N 1.567 124.378 122.820 -0.015 0.000 1.978 50 A HA -0.179 4.141 4.320 0.000 0.000 0.220 50 A C 2.090 179.668 177.584 -0.011 0.000 1.170 50 A CA 1.274 53.302 52.037 -0.015 0.000 0.636 50 A CB -0.501 18.485 19.000 -0.022 0.000 0.810 50 A HN 0.247 nan 8.150 nan 0.000 0.448 51 L N 0.483 121.703 121.223 -0.005 0.000 1.988 51 L HA -0.208 4.132 4.340 0.000 0.000 0.207 51 L C 2.767 179.639 176.870 0.003 0.000 1.071 51 L CA 2.804 57.645 54.840 0.002 0.000 0.744 51 L CB -1.066 41.004 42.059 0.019 0.000 0.893 51 L HN 0.686 nan 8.230 nan 0.000 0.433 52 Q N -1.732 118.069 119.800 0.002 0.000 2.167 52 Q HA -0.203 4.137 4.340 0.000 0.000 0.202 52 Q C 1.460 177.456 176.000 -0.007 0.000 0.970 52 Q CA 1.730 57.530 55.803 -0.005 0.000 0.855 52 Q CB -0.640 28.087 28.738 -0.018 0.000 0.911 52 Q HN 0.461 nan 8.270 nan 0.000 0.438 53 D N 0.470 120.865 120.400 -0.008 0.000 2.219 53 D HA -0.141 4.499 4.640 0.000 0.000 0.205 53 D C 1.895 178.193 176.300 -0.003 0.000 0.970 53 D CA 0.861 54.857 54.000 -0.007 0.000 0.851 53 D CB -0.025 40.770 40.800 -0.008 0.000 0.943 53 D HN 0.341 nan 8.370 nan 0.000 0.488 54 Q N 0.162 119.960 119.800 -0.003 0.000 2.212 54 Q HA 0.036 4.376 4.340 0.000 0.000 0.199 54 Q C 2.366 178.368 176.000 0.004 0.000 0.950 54 Q CA 0.235 56.038 55.803 -0.001 0.000 0.863 54 Q CB 0.135 28.871 28.738 -0.003 0.000 0.944 54 Q HN 0.334 nan 8.270 nan 0.000 0.465 55 L N 0.442 121.668 121.223 0.005 0.000 2.141 55 L HA -0.136 4.204 4.340 0.000 0.000 0.209 55 L C 2.476 179.354 176.870 0.012 0.000 1.094 55 L CA 1.008 55.854 54.840 0.011 0.000 0.763 55 L CB -0.526 41.541 42.059 0.012 0.000 0.908 55 L HN 0.102 nan 8.230 nan 0.000 0.437 56 V N -2.835 117.083 119.914 0.006 0.000 2.548 56 V HA -0.200 3.920 4.120 0.000 0.000 0.249 56 V C 2.260 178.360 176.094 0.010 0.000 1.055 56 V CA 1.122 63.426 62.300 0.007 0.000 1.065 56 V CB -0.644 31.180 31.823 0.001 0.000 0.681 56 V HN 0.348 nan 8.190 nan 0.000 0.462 57 L N 0.579 121.807 121.223 0.009 0.000 2.056 57 L HA -0.048 4.292 4.340 0.000 0.000 0.207 57 L C 2.570 179.449 176.870 0.014 0.000 1.078 57 L CA 2.211 57.056 54.840 0.010 0.000 0.749 57 L CB -0.618 41.445 42.059 0.007 0.000 0.901 57 L HN 0.325 nan 8.230 nan 0.000 0.433 58 V N 0.757 120.681 119.914 0.016 0.000 2.407 58 V HA -0.244 3.876 4.120 0.000 0.000 0.248 58 V C 2.995 179.105 176.094 0.026 0.000 1.055 58 V CA 1.540 63.853 62.300 0.022 0.000 1.049 58 V CB -1.158 30.680 31.823 0.025 0.000 0.662 58 V HN 0.575 nan 8.190 nan 0.000 0.455 59 A N -0.244 122.591 122.820 0.026 0.000 1.930 59 A HA 0.003 4.323 4.320 0.000 0.000 0.217 59 A C 2.387 179.986 177.584 0.024 0.000 1.175 59 A CA 1.850 53.904 52.037 0.028 0.000 0.627 59 A CB -0.616 18.400 19.000 0.027 0.000 0.815 59 A HN 0.537 nan 8.150 nan 0.000 0.443 60 A N 0.178 123.010 122.820 0.020 0.000 1.832 60 A HA -0.036 4.284 4.320 0.000 0.000 0.214 60 A C 1.353 178.949 177.584 0.019 0.000 1.200 60 A CA 1.079 53.127 52.037 0.018 0.000 0.610 60 A CB -0.360 18.648 19.000 0.014 0.000 0.842 60 A HN 0.398 nan 8.150 nan 0.000 0.444 61 K N 0.096 120.507 120.400 0.018 0.000 2.083 61 K HA 0.344 4.664 4.320 0.000 0.000 0.246 61 K C -1.491 175.123 176.600 0.023 0.000 1.160 61 K CA 0.064 56.362 56.287 0.019 0.000 1.060 61 K CB -0.332 32.178 32.500 0.016 0.000 1.417 61 K HN 0.257 nan 8.250 nan 0.000 0.329 62 L N 1.781 123.019 121.223 0.024 0.000 2.543 62 L HA 0.249 4.589 4.340 0.000 0.000 0.265 62 L C -0.984 175.904 176.870 0.030 0.000 0.945 62 L CA -0.560 54.298 54.840 0.030 0.000 0.869 62 L CB 1.687 43.766 42.059 0.032 0.000 1.294 62 L HN 0.289 nan 8.230 nan 0.000 0.405 63 D N 1.448 121.868 120.400 0.033 0.000 2.361 63 D HA 0.141 4.781 4.640 0.000 0.000 0.239 63 D C 1.041 177.361 176.300 0.034 0.000 1.200 63 D CA 0.703 54.722 54.000 0.032 0.000 0.915 63 D CB 1.257 42.079 40.800 0.036 0.000 1.170 63 D HN 0.774 nan 8.370 nan 0.000 0.444 64 T N -1.877 112.694 114.554 0.029 0.000 2.915 64 T HA -0.128 4.222 4.350 0.000 0.000 0.269 64 T C 1.338 176.058 174.700 0.033 0.000 1.071 64 T CA 0.983 63.099 62.100 0.027 0.000 1.132 64 T CB -0.087 68.793 68.868 0.020 0.000 0.878 64 T HN 0.380 nan 8.240 nan 0.000 0.479 65 E N 1.207 121.431 120.200 0.039 0.000 2.107 65 E HA -0.099 4.251 4.350 0.000 0.000 0.191 65 E C 1.975 178.620 176.600 0.075 0.000 0.982 65 E CA 1.151 57.582 56.400 0.052 0.000 0.809 65 E CB -0.090 29.644 29.700 0.056 0.000 0.756 65 E HN 0.502 nan 8.360 nan 0.000 0.459 66 D N 0.921 121.364 120.400 0.071 0.000 2.178 66 D HA -0.116 4.524 4.640 0.000 0.000 0.202 66 D C 1.617 177.962 176.300 0.075 0.000 0.974 66 D CA 0.954 55.003 54.000 0.082 0.000 0.841 66 D CB -0.033 40.806 40.800 0.064 0.000 0.953 66 D HN 0.104 nan 8.370 nan 0.000 0.478 67 K N 0.264 120.697 120.400 0.056 0.000 2.097 67 K HA -0.044 4.276 4.320 0.000 0.000 0.206 67 K C 2.265 178.893 176.600 0.046 0.000 1.049 67 K CA 0.571 56.885 56.287 0.045 0.000 0.933 67 K CB -0.054 32.465 32.500 0.032 0.000 0.717 67 K HN 0.149 nan 8.250 nan 0.000 0.442 68 L N 0.335 121.588 121.223 0.050 0.000 2.093 68 L HA -0.122 4.218 4.340 0.000 0.000 0.208 68 L C 2.687 179.599 176.870 0.071 0.000 1.085 68 L CA 0.976 55.843 54.840 0.044 0.000 0.755 68 L CB -0.337 41.741 42.059 0.032 0.000 0.904 68 L HN 0.172 nan 8.230 nan 0.000 0.435 69 R N 0.391 120.969 120.500 0.130 0.000 2.075 69 R HA -0.143 4.197 4.340 0.000 0.000 0.232 69 R C 2.353 178.766 176.300 0.188 0.000 1.126 69 R CA 1.338 57.586 56.100 0.247 0.000 0.963 69 R CB -0.178 30.315 30.300 0.321 0.000 0.858 69 R HN 0.328 nan 8.270 nan 0.000 0.435 70 A N 0.683 123.568 122.820 0.108 0.000 1.933 70 A HA -0.104 4.216 4.320 0.000 0.000 0.218 70 A C 2.300 179.893 177.584 0.015 0.000 1.175 70 A CA 1.659 53.732 52.037 0.059 0.000 0.628 70 A CB -0.625 18.404 19.000 0.048 0.000 0.814 70 A HN 0.515 nan 8.150 nan 0.000 0.444 71 A N -0.699 122.130 122.820 0.016 0.000 1.898 71 A HA -0.089 4.231 4.320 0.000 0.000 0.216 71 A C 2.268 179.828 177.584 -0.040 0.000 1.181 71 A CA 1.837 53.865 52.037 -0.016 0.000 0.620 71 A CB -0.506 18.495 19.000 0.002 0.000 0.819 71 A HN 0.622 nan 8.150 nan 0.000 0.442 72 M N -0.691 118.907 119.600 -0.005 0.000 2.067 72 M HA -0.103 4.377 4.480 0.000 0.000 0.260 72 M C 2.052 178.323 176.300 -0.048 0.000 1.069 72 M CA 2.151 57.432 55.300 -0.032 0.000 1.117 72 M CB -0.203 32.374 32.600 -0.038 0.000 1.334 72 M HN 0.212 nan 8.290 nan 0.000 0.407 73 V N 0.647 120.584 119.914 0.039 0.000 2.594 73 V HA -0.142 3.978 4.120 0.000 0.000 0.253 73 V C 2.082 177.954 176.094 -0.371 0.000 1.069 73 V CA 2.235 64.469 62.300 -0.109 0.000 1.082 73 V CB -1.129 30.697 31.823 0.004 0.000 0.680 73 V HN 0.724 nan 8.190 nan 0.000 0.469 74 G N -0.592 108.056 108.800 -0.253 0.000 2.433 74 G HA2 -0.254 3.706 3.960 0.000 0.000 0.216 74 G HA3 -0.254 3.706 3.960 0.000 0.000 0.216 74 G C 1.526 176.188 174.900 -0.396 0.000 1.186 74 G CA 1.161 46.081 45.100 -0.301 0.000 0.779 74 G HN 0.392 nan 8.290 nan 0.000 0.543 75 M N 0.266 119.636 119.600 -0.384 0.000 2.159 75 M HA 0.080 4.560 4.480 0.000 0.000 0.263 75 M C 2.540 178.334 176.300 -0.844 0.000 1.063 75 M CA 0.674 55.587 55.300 -0.645 0.000 1.110 75 M CB -0.887 31.403 32.600 -0.516 0.000 1.374 75 M HN 0.101 nan 8.290 nan 0.000 0.411 76 L N -0.203 120.716 121.223 -0.506 0.000 2.042 76 L HA -0.163 4.177 4.340 0.000 0.000 0.210 76 L C 2.647 179.214 176.870 -0.506 0.000 1.076 76 L CA 2.001 56.629 54.840 -0.354 0.000 0.749 76 L CB -1.757 40.106 42.059 -0.327 0.000 0.893 76 L HN 0.248 nan 8.230 nan 0.000 0.432 77 A N 0.036 122.359 122.820 -0.828 0.000 1.933 77 A HA -0.211 4.109 4.320 0.000 0.000 0.218 77 A C 2.047 179.368 177.584 -0.437 0.000 1.175 77 A CA 1.683 53.374 52.037 -0.577 0.000 0.628 77 A CB -0.479 18.188 19.000 -0.554 0.000 0.814 77 A HN 0.446 nan 8.150 nan 0.000 0.444 78 N N -0.159 118.197 118.700 -0.573 0.000 2.058 78 N HA -0.127 4.613 4.740 0.000 0.000 0.191 78 N C 1.268 176.260 175.510 -0.862 0.000 1.037 78 N CA 1.637 54.224 53.050 -0.770 0.000 0.848 78 N CB -0.737 37.371 38.487 -0.632 0.000 1.021 78 N HN 0.452 nan 8.380 nan 0.000 0.422 79 F N 0.734 120.518 119.950 -0.276 0.000 2.216 79 F HA 0.003 4.530 4.527 -0.000 0.000 0.300 79 F C 2.120 177.900 175.800 -0.034 0.000 1.085 79 F CA 0.080 58.067 58.000 -0.023 0.000 1.326 79 F CB -1.045 37.996 39.000 0.068 0.000 1.027 79 F HN 0.010 nan 8.300 nan 0.000 0.497 80 L N 0.583 121.865 121.223 0.097 0.000 2.046 80 L HA 0.014 4.354 4.340 0.000 0.000 0.208 80 L C 2.452 179.348 176.870 0.042 0.000 1.077 80 L CA 2.098 57.005 54.840 0.113 0.000 0.747 80 L CB -1.472 40.702 42.059 0.191 0.000 0.896 80 L HN 0.127 nan 8.230 nan 0.000 0.432 81 G N -1.055 107.670 108.800 -0.125 0.000 2.418 81 G HA2 -0.281 3.679 3.960 0.000 0.000 0.217 81 G HA3 -0.281 3.679 3.960 0.000 0.000 0.217 81 G C 1.315 176.276 174.900 0.103 0.000 1.158 81 G CA 0.977 46.011 45.100 -0.111 0.000 0.771 81 G HN 0.415 nan 8.290 nan 0.000 0.545 82 F N 0.643 120.719 119.950 0.209 0.000 2.206 82 F HA 0.210 4.737 4.527 0.000 0.000 0.298 82 F C 2.733 178.664 175.800 0.218 0.000 1.090 82 F CA 0.385 58.535 58.000 0.249 0.000 1.323 82 F CB -0.681 38.444 39.000 0.207 0.000 1.028 82 F HN -0.008 nan 8.300 nan 0.000 0.492 83 R N 0.452 121.141 120.500 0.315 0.000 2.091 83 R HA -0.159 4.181 4.340 0.000 0.000 0.238 83 R C 2.207 178.580 176.300 0.121 0.000 1.136 83 R CA 1.622 57.834 56.100 0.187 0.000 0.959 83 R CB -0.719 29.666 30.300 0.141 0.000 0.856 83 R HN 0.285 nan 8.270 nan 0.000 0.437 84 I N -0.471 120.172 120.570 0.123 0.000 2.614 84 I HA -0.259 3.911 4.170 0.000 0.000 0.258 84 I C 1.670 177.783 176.117 -0.006 0.000 1.189 84 I CA 0.747 62.075 61.300 0.046 0.000 1.462 84 I CB -0.132 37.900 38.000 0.054 0.000 1.092 84 I HN 0.177 nan 8.210 nan 0.000 0.442 85 Y N 1.529 121.798 120.300 -0.051 0.000 2.632 85 Y HA -0.023 4.527 4.550 0.000 0.000 0.301 85 Y C 2.208 177.952 175.900 -0.259 0.000 1.172 85 Y CA 0.458 58.442 58.100 -0.193 0.000 1.328 85 Y CB -0.477 37.930 38.460 -0.088 0.000 1.016 85 Y HN 0.093 nan 8.280 nan 0.000 0.529 86 G N -0.219 108.432 108.800 -0.248 0.000 2.586 86 G HA2 -0.223 3.737 3.960 0.000 0.000 0.215 86 G HA3 -0.223 3.737 3.960 0.000 0.000 0.215 86 G C 1.518 175.855 174.900 -0.939 0.000 1.128 86 G CA 0.501 45.267 45.100 -0.555 0.000 0.774 86 G HN 0.406 nan 8.290 nan 0.000 0.543 87 M N -0.412 118.795 119.600 -0.654 0.000 2.296 87 M HA -0.009 4.471 4.480 0.000 0.000 0.265 87 M C 0.349 176.297 176.300 -0.587 0.000 1.064 87 M CA 0.716 55.692 55.300 -0.541 0.000 1.109 87 M CB -0.284 32.078 32.600 -0.397 0.000 1.396 87 M HN 0.379 nan 8.290 nan 0.000 0.430 88 H N 0.476 119.198 119.070 -0.579 0.000 2.969 88 H HA -0.094 4.462 4.556 -0.000 0.000 0.347 88 H C 0.777 175.757 175.328 -0.581 0.000 1.235 88 H CA 0.716 56.406 56.048 -0.598 0.000 1.179 88 H CB -2.169 27.410 29.762 -0.305 0.000 1.578 88 H HN 0.655 nan 8.280 nan 0.000 0.431 89 S N -1.637 113.577 115.700 -0.810 0.000 3.382 89 S HA -0.247 4.223 4.470 0.000 0.000 0.293 89 S C 0.745 175.064 174.600 -0.469 0.000 1.262 89 S CA 1.842 59.647 58.200 -0.659 0.000 0.969 89 S CB -1.122 61.891 63.200 -0.311 0.000 1.136 89 S HN 0.603 nan 8.310 nan 0.000 0.635 90 E N 0.352 120.288 120.200 -0.440 0.000 2.481 90 E HA 0.477 4.827 4.350 0.000 0.000 0.198 90 E C 1.673 178.102 176.600 -0.286 0.000 1.027 90 E CA 0.386 56.624 56.400 -0.269 0.000 0.900 90 E CB -0.062 29.525 29.700 -0.189 0.000 0.993 90 E HN 0.715 nan 8.360 nan 0.000 0.482 91 L N -0.368 120.565 121.223 -0.483 0.000 2.046 91 L HA -0.146 4.194 4.340 0.000 0.000 0.208 91 L C 1.599 178.342 176.870 -0.211 0.000 1.077 91 L CA 1.038 55.635 54.840 -0.405 0.000 0.747 91 L CB -0.335 41.378 42.059 -0.578 0.000 0.896 91 L HN 0.368 nan 8.230 nan 0.000 0.432 92 W N 0.244 121.482 121.300 -0.102 0.000 2.519 92 W HA 0.067 4.727 4.660 -0.000 0.000 0.266 92 W C 2.348 178.817 176.519 -0.083 0.000 1.253 92 W CA 0.698 57.995 57.345 -0.080 0.000 1.274 92 W CB -1.589 27.834 29.460 -0.063 0.000 1.114 92 W HN 0.184 nan 8.180 nan 0.000 0.596 93 G N 0.936 109.781 108.800 0.074 0.000 2.475 93 G HA2 -0.216 3.744 3.960 0.000 0.000 0.220 93 G HA3 -0.216 3.744 3.960 0.000 0.000 0.220 93 G C 0.778 175.660 174.900 -0.030 0.000 1.125 93 G CA 0.595 45.702 45.100 0.012 0.000 0.755 93 G HN 0.035 nan 8.290 nan 0.000 0.565 94 V N 2.104 122.002 119.914 -0.026 0.000 2.180 94 V HA 0.101 4.221 4.120 0.000 0.000 0.238 94 V C 0.364 176.325 176.094 -0.221 0.000 1.337 94 V CA -0.315 61.948 62.300 -0.062 0.000 1.338 94 V CB 0.343 32.221 31.823 0.091 0.000 1.431 94 V HN 0.073 nan 8.190 nan 0.000 0.498 95 V N 5.490 125.166 119.914 -0.396 0.000 2.287 95 V HA 0.211 4.331 4.120 0.000 0.000 0.246 95 V C 0.126 175.912 176.094 -0.513 0.000 1.165 95 V CA -0.048 62.072 62.300 -0.300 0.000 1.088 95 V CB -1.015 30.723 31.823 -0.142 0.000 1.242 95 V HN 0.764 nan 8.190 nan 0.000 0.497 96 H N 2.988 122.134 119.070 0.127 0.000 3.078 96 H HA 0.555 5.111 4.556 0.000 0.000 0.319 96 H C 0.632 176.039 175.328 0.132 0.000 0.995 96 H CA 0.233 56.355 56.048 0.124 0.000 1.417 96 H CB 1.631 31.473 29.762 0.135 0.000 1.598 96 H HN 0.724 nan 8.280 nan 0.000 0.515 97 G N 2.042 110.957 108.800 0.191 0.000 2.562 97 G HA2 -0.118 3.842 3.960 0.000 0.000 0.250 97 G HA3 -0.118 3.842 3.960 0.000 0.000 0.250 97 G C -0.131 174.821 174.900 0.087 0.000 1.269 97 G CA -0.251 44.934 45.100 0.141 0.000 0.919 97 G HN 0.871 nan 8.290 nan 0.000 0.574 98 A N -0.081 122.779 122.820 0.066 0.000 2.388 98 A HA 0.675 4.995 4.320 0.000 0.000 0.257 98 A C 1.239 178.847 177.584 0.039 0.000 1.095 98 A CA 1.171 53.213 52.037 0.008 0.000 0.791 98 A CB 0.031 19.012 19.000 -0.031 0.000 1.029 98 A HN 2.264 nan 8.150 nan 0.000 0.489 99 T N 0.158 114.692 114.554 -0.034 0.000 3.162 99 T HA 0.410 4.760 4.350 0.000 0.000 0.264 99 T C -0.285 174.443 174.700 0.047 0.000 0.959 99 T CA -0.142 61.955 62.100 -0.005 0.000 1.118 99 T CB -0.612 68.077 68.868 -0.297 0.000 0.979 99 T HN 1.531 nan 8.240 nan 0.000 0.679 100 V N 5.763 125.748 119.914 0.118 0.000 2.789 100 V HA 0.638 4.758 4.120 0.000 0.000 0.300 100 V C -1.167 175.019 176.094 0.153 0.000 1.184 100 V CA -1.154 61.209 62.300 0.106 0.000 0.930 100 V CB 1.836 33.699 31.823 0.067 0.000 1.041 100 V HN 0.996 nan 8.190 nan 0.000 0.430 101 L N 3.618 124.885 121.223 0.073 0.000 2.323 101 L HA 0.893 5.233 4.340 0.000 0.000 0.265 101 L C -0.517 176.413 176.870 0.101 0.000 1.012 101 L CA -0.374 54.448 54.840 -0.030 0.000 0.820 101 L CB 2.310 44.096 42.059 -0.456 0.000 1.334 101 L HN 0.640 nan 8.230 nan 0.000 0.427 102 S N 2.079 117.869 115.700 0.149 0.000 2.528 102 S HA 0.476 4.946 4.470 0.000 0.000 0.303 102 S C -1.739 172.814 174.600 -0.079 0.000 1.123 102 S CA -1.531 56.572 58.200 -0.161 0.000 1.138 102 S CB 0.779 63.784 63.200 -0.326 0.000 0.984 102 S HN 0.639 nan 8.310 nan 0.000 0.474 103 P HA -0.167 nan 4.420 nan 0.000 0.216 103 P C 1.727 178.978 177.300 -0.082 0.000 1.154 103 P CA 1.759 64.792 63.100 -0.112 0.000 0.865 103 P CB -0.319 31.242 31.700 -0.232 0.000 0.789 104 T N -2.868 111.581 114.554 -0.176 0.000 2.821 104 T HA -0.007 4.343 4.350 0.000 0.000 0.267 104 T C 1.952 176.687 174.700 0.058 0.000 1.046 104 T CA 1.242 63.262 62.100 -0.133 0.000 1.139 104 T CB -1.126 67.545 68.868 -0.329 0.000 0.871 104 T HN 0.028 nan 8.240 nan 0.000 0.454 105 A N 1.169 124.020 122.820 0.052 0.000 1.897 105 A HA 0.161 4.481 4.320 0.000 0.000 0.215 105 A C 2.621 180.320 177.584 0.191 0.000 1.181 105 A CA 1.273 53.418 52.037 0.180 0.000 0.620 105 A CB -1.055 18.032 19.000 0.146 0.000 0.821 105 A HN 0.378 nan 8.150 nan 0.000 0.443 106 V N -1.059 118.962 119.914 0.179 0.000 2.233 106 V HA -0.283 3.837 4.120 0.000 0.000 0.247 106 V C 2.275 178.445 176.094 0.127 0.000 1.050 106 V CA 2.369 64.781 62.300 0.187 0.000 1.010 106 V CB -0.985 30.960 31.823 0.203 0.000 0.637 106 V HN 0.625 nan 8.190 nan 0.000 0.444 107 F N 1.578 121.516 119.950 -0.021 0.000 2.091 107 F HA -0.154 4.373 4.527 0.000 0.000 0.299 107 F C 2.184 177.908 175.800 -0.126 0.000 1.103 107 F CA 1.970 59.928 58.000 -0.070 0.000 1.228 107 F CB -0.869 38.074 39.000 -0.096 0.000 0.984 107 F HN 0.146 nan 8.300 nan 0.000 0.477 108 G N -1.601 107.205 108.800 0.010 0.000 2.433 108 G HA2 -0.314 3.646 3.960 0.000 0.000 0.216 108 G HA3 -0.314 3.646 3.960 0.000 0.000 0.216 108 G C 1.648 176.309 174.900 -0.398 0.000 1.186 108 G CA 1.263 46.120 45.100 -0.405 0.000 0.779 108 G HN 0.408 nan 8.290 nan 0.000 0.543 109 T N 0.152 114.683 114.554 -0.038 0.000 2.759 109 T HA -0.047 4.303 4.350 0.000 0.000 0.269 109 T C 2.337 176.960 174.700 -0.128 0.000 1.042 109 T CA 1.382 63.535 62.100 0.088 0.000 1.140 109 T CB -0.189 68.805 68.868 0.210 0.000 0.864 109 T HN 0.183 nan 8.240 nan 0.000 0.455 110 L N 0.122 121.248 121.223 -0.162 0.000 2.072 110 L HA 0.133 4.473 4.340 0.000 0.000 0.205 110 L C 2.792 179.497 176.870 -0.274 0.000 1.079 110 L CA 1.309 56.032 54.840 -0.195 0.000 0.752 110 L CB -0.516 41.432 42.059 -0.184 0.000 0.906 110 L HN 0.335 nan 8.230 nan 0.000 0.436 111 A N -0.687 121.878 122.820 -0.425 0.000 2.015 111 A HA -0.172 4.148 4.320 0.000 0.000 0.219 111 A C 2.390 179.848 177.584 -0.210 0.000 1.163 111 A CA 1.609 53.406 52.037 -0.400 0.000 0.646 111 A CB -0.551 18.108 19.000 -0.568 0.000 0.806 111 A HN 0.611 nan 8.150 nan 0.000 0.448 112 S N -0.069 115.472 115.700 -0.264 0.000 2.414 112 S HA 0.025 4.495 4.470 0.000 0.000 0.227 112 S C 1.769 176.261 174.600 -0.179 0.000 1.022 112 S CA 1.017 59.096 58.200 -0.201 0.000 0.958 112 S CB -0.598 62.567 63.200 -0.058 0.000 0.797 112 S HN 0.449 nan 8.310 nan 0.000 0.493 113 L N -0.092 120.954 121.223 -0.295 0.000 2.141 113 L HA -0.019 4.321 4.340 0.000 0.000 0.209 113 L C 2.537 179.401 176.870 -0.009 0.000 1.094 113 L CA 1.550 56.269 54.840 -0.201 0.000 0.763 113 L CB -0.709 41.217 42.059 -0.222 0.000 0.908 113 L HN 0.347 nan 8.230 nan 0.000 0.437 114 Y N 0.839 121.068 120.300 -0.119 0.000 2.256 114 Y HA -0.284 4.266 4.550 0.000 0.000 0.288 114 Y C 2.383 178.276 175.900 -0.012 0.000 1.155 114 Y CA 1.320 59.374 58.100 -0.076 0.000 1.203 114 Y CB -0.029 38.357 38.460 -0.124 0.000 0.980 114 Y HN 0.035 nan 8.280 nan 0.000 0.530 115 L N -0.207 120.982 121.223 -0.056 0.000 1.990 115 L HA -0.206 4.134 4.340 0.000 0.000 0.213 115 L C 1.796 178.692 176.870 0.044 0.000 1.072 115 L CA 1.295 56.118 54.840 -0.027 0.000 0.755 115 L CB -1.078 41.023 42.059 0.070 0.000 0.889 115 L HN 0.395 nan 8.230 nan 0.000 0.432 116 G N -0.258 108.627 108.800 0.140 0.000 3.213 116 G HA2 0.477 4.437 3.960 0.000 0.000 0.263 116 G HA3 0.477 4.437 3.960 0.000 0.000 0.263 116 G C -0.434 174.412 174.900 -0.091 0.000 0.829 116 G CA 0.427 45.496 45.100 -0.050 0.000 1.983 116 G HN 0.338 nan 8.290 nan 0.000 0.616 117 A N 2.072 124.817 122.820 -0.125 0.000 2.480 117 A HA 0.638 4.958 4.320 0.000 0.000 0.289 117 A C -0.193 177.317 177.584 -0.122 0.000 1.044 117 A CA -0.641 51.329 52.037 -0.113 0.000 0.761 117 A CB 0.970 19.907 19.000 -0.105 0.000 1.289 117 A HN 0.342 nan 8.150 nan 0.000 0.401 118 L N 1.042 122.231 121.223 -0.055 0.000 2.657 118 L HA 0.402 4.742 4.340 0.000 0.000 0.240 118 L C 0.603 177.467 176.870 -0.010 0.000 1.151 118 L CA -1.148 53.671 54.840 -0.034 0.000 0.831 118 L CB 0.109 42.167 42.059 -0.001 0.000 1.539 118 L HN 0.901 nan 8.230 nan 0.000 0.511 119 D N -1.213 119.179 120.400 -0.013 0.000 2.429 119 D HA -0.119 4.521 4.640 0.000 0.000 0.233 119 D C 0.676 176.974 176.300 -0.003 0.000 1.202 119 D CA 0.247 54.198 54.000 -0.081 0.000 0.879 119 D CB 0.224 40.916 40.800 -0.180 0.000 1.212 119 D HN 0.709 nan 8.370 nan 0.000 0.465 120 H N -0.316 118.760 119.070 0.011 0.000 4.803 120 H HA -0.248 4.308 4.556 0.000 0.000 0.060 120 H C 1.734 177.067 175.328 0.009 0.000 0.602 120 H CA 2.192 58.244 56.048 0.006 0.000 0.950 120 H CB -1.953 27.807 29.762 -0.004 0.000 0.516 120 H HN 0.575 nan 8.280 nan 0.000 0.809 121 T N 2.015 116.656 114.554 0.144 0.000 2.708 121 T HA 0.022 4.372 4.350 0.000 0.000 0.266 121 T C 2.120 176.867 174.700 0.078 0.000 1.037 121 T CA 2.276 64.419 62.100 0.071 0.000 1.146 121 T CB -0.560 68.331 68.868 0.039 0.000 0.865 121 T HN 0.626 nan 8.240 nan 0.000 0.435 122 A N 1.645 124.510 122.820 0.075 0.000 1.930 122 A HA -0.099 4.221 4.320 0.000 0.000 0.217 122 A C 1.975 179.697 177.584 0.230 0.000 1.175 122 A CA 1.698 53.830 52.037 0.160 0.000 0.627 122 A CB -0.574 18.418 19.000 -0.013 0.000 0.815 122 A HN 0.366 nan 8.150 nan 0.000 0.443 123 D N -0.748 119.719 120.400 0.112 0.000 2.310 123 D HA -0.042 4.598 4.640 0.000 0.000 0.212 123 D C 2.109 178.443 176.300 0.056 0.000 0.965 123 D CA 0.836 54.879 54.000 0.072 0.000 0.879 123 D CB -0.121 40.678 40.800 -0.002 0.000 0.921 123 D HN 0.459 nan 8.370 nan 0.000 0.510 124 R N -0.331 120.204 120.500 0.058 0.000 2.057 124 R HA 0.176 4.516 4.340 0.000 0.000 0.224 124 R C 2.320 178.628 176.300 0.014 0.000 1.136 124 R CA 0.363 56.480 56.100 0.028 0.000 0.968 124 R CB -0.288 30.020 30.300 0.014 0.000 0.863 124 R HN 0.118 nan 8.270 nan 0.000 0.433 125 L N 1.171 122.415 121.223 0.034 0.000 2.079 125 L HA -0.256 4.084 4.340 0.000 0.000 0.210 125 L C 2.474 179.294 176.870 -0.082 0.000 1.081 125 L CA 1.432 56.274 54.840 0.004 0.000 0.752 125 L CB -0.561 41.553 42.059 0.091 0.000 0.896 125 L HN 0.291 nan 8.230 nan 0.000 0.433 126 Q N -0.159 119.601 119.800 -0.067 0.000 2.047 126 Q HA -0.318 4.022 4.340 0.000 0.000 0.211 126 Q C 2.412 178.367 176.000 -0.075 0.000 1.005 126 Q CA 2.262 57.976 55.803 -0.148 0.000 0.866 126 Q CB -0.439 28.290 28.738 -0.016 0.000 0.938 126 Q HN 0.622 nan 8.270 nan 0.000 0.414 127 A N 0.480 123.287 122.820 -0.021 0.000 1.898 127 A HA -0.143 4.177 4.320 0.000 0.000 0.216 127 A C 2.059 179.644 177.584 0.003 0.000 1.181 127 A CA 1.214 53.252 52.037 0.001 0.000 0.620 127 A CB -0.612 18.394 19.000 0.010 0.000 0.819 127 A HN 0.335 nan 8.150 nan 0.000 0.442 128 I N -0.225 120.336 120.570 -0.014 0.000 2.252 128 I HA -0.241 3.929 4.170 0.000 0.000 0.245 128 I C 2.300 178.409 176.117 -0.012 0.000 1.102 128 I CA 1.073 62.366 61.300 -0.011 0.000 1.385 128 I CB -0.410 37.574 38.000 -0.027 0.000 1.064 128 I HN 0.271 nan 8.210 nan 0.000 0.414 129 L N 0.613 121.791 121.223 -0.076 0.000 2.083 129 L HA 0.008 4.348 4.340 0.000 0.000 0.209 129 L C 0.906 177.803 176.870 0.045 0.000 1.083 129 L CA 0.836 55.582 54.840 -0.158 0.000 0.752 129 L CB -0.803 41.020 42.059 -0.393 0.000 0.899 129 L HN 0.500 nan 8.230 nan 0.000 0.433 130 G N -0.067 108.776 108.800 0.071 0.000 3.199 130 G HA2 0.050 4.010 3.960 0.000 0.000 0.680 130 G HA3 0.050 4.010 3.960 0.000 0.000 0.680 130 G C -1.078 173.905 174.900 0.138 0.000 1.197 130 G CA -0.734 44.473 45.100 0.178 0.000 1.143 130 G HN -0.089 nan 8.290 nan 0.000 0.492 131 V N 3.989 123.950 119.914 0.079 0.000 3.126 131 V HA 0.883 5.003 4.120 0.000 0.000 0.314 131 V C -1.697 174.448 176.094 0.085 0.000 1.138 131 V CA -1.156 61.181 62.300 0.063 0.000 1.034 131 V CB 2.648 34.463 31.823 -0.013 0.000 1.075 131 V HN 0.663 nan 8.190 nan 0.000 0.442 132 P HA 0.183 nan 4.420 nan 0.000 0.279 132 P C 0.362 177.831 177.300 0.282 0.000 1.819 132 P CA -0.173 63.006 63.100 0.132 0.000 1.258 132 P CB -0.047 31.719 31.700 0.110 0.000 1.656 133 W N 1.827 123.148 121.300 0.033 0.000 1.137 133 W HA -0.389 4.271 4.660 0.000 0.000 0.222 133 W C 1.135 177.677 176.519 0.038 0.000 0.931 133 W CA 2.955 60.326 57.345 0.043 0.000 0.426 133 W CB -1.151 28.337 29.460 0.047 0.000 1.913 133 W HN 0.171 nan 8.180 nan 0.000 1.323 134 K N -0.246 120.300 120.400 0.244 0.000 2.412 134 K HA 0.076 4.396 4.320 0.000 0.000 0.202 134 K C 0.383 177.016 176.600 0.054 0.000 1.102 134 K CA 0.780 57.108 56.287 0.067 0.000 1.027 134 K CB 0.226 32.920 32.500 0.322 0.000 0.931 134 K HN 0.140 nan 8.250 nan 0.000 0.557 135 D N 0.517 120.968 120.400 0.084 0.000 3.103 135 D HA -0.121 4.519 4.640 0.000 0.000 0.211 135 D C -1.020 175.326 176.300 0.077 0.000 1.100 135 D CA 1.097 55.136 54.000 0.065 0.000 0.961 135 D CB -0.848 39.975 40.800 0.038 0.000 1.093 135 D HN 0.362 nan 8.370 nan 0.000 0.427 136 K N -1.074 119.388 120.400 0.104 0.000 2.625 136 K HA 0.385 4.705 4.320 0.000 0.000 0.284 136 K C -0.671 175.997 176.600 0.114 0.000 0.984 136 K CA -0.763 55.581 56.287 0.096 0.000 0.865 136 K CB 1.095 33.648 32.500 0.089 0.000 1.468 136 K HN -0.149 nan 8.250 nan 0.000 0.407 137 N N 1.138 119.894 118.700 0.094 0.000 2.735 137 N HA 0.090 4.830 4.740 0.000 0.000 0.312 137 N C 0.055 175.612 175.510 0.079 0.000 1.843 137 N CA -0.283 52.827 53.050 0.100 0.000 0.945 137 N CB 0.217 38.762 38.487 0.097 0.000 1.299 137 N HN 0.587 nan 8.380 nan 0.000 0.489 138 c N 1.358 120.006 118.600 0.080 0.000 2.485 138 c HA 0.044 4.614 4.570 0.000 0.000 0.283 138 c C 0.504 174.625 174.090 0.052 0.000 1.478 138 c CA 1.158 57.524 56.329 0.062 0.000 1.741 138 c CB -2.387 40.163 42.510 0.065 0.000 1.675 138 c HN 0.765 nan 8.230 nan 0.000 0.573 139 T N -0.101 114.490 114.554 0.061 0.000 0.593 139 T HA -0.048 4.302 4.350 0.000 0.000 0.768 139 T C -0.405 174.313 174.700 0.029 0.000 0.991 139 T CA 0.721 62.848 62.100 0.044 0.000 4.047 139 T CB -1.604 67.279 68.868 0.025 0.000 2.286 139 T HN 1.949 nan 8.240 nan 0.000 0.395 140 S N 2.848 118.561 115.700 0.021 0.000 2.755 140 S HA 0.606 5.076 4.470 0.000 0.000 0.286 140 S C 0.595 175.171 174.600 -0.041 0.000 1.207 140 S CA -0.745 57.451 58.200 -0.006 0.000 0.892 140 S CB 1.066 64.276 63.200 0.017 0.000 1.240 140 S HN 0.846 nan 8.310 nan 0.000 0.525 141 R N -0.364 120.100 120.500 -0.060 0.000 2.313 141 R HA 0.267 4.607 4.340 0.000 0.000 0.199 141 R C 1.023 177.309 176.300 -0.024 0.000 0.958 141 R CA 0.367 56.413 56.100 -0.090 0.000 1.047 141 R CB -0.621 29.629 30.300 -0.083 0.000 0.955 141 R HN 0.412 nan 8.270 nan 0.000 0.481 142 L N 0.364 121.551 121.223 -0.059 0.000 2.102 142 L HA -0.011 4.329 4.340 0.000 0.000 0.202 142 L C 0.269 177.037 176.870 -0.170 0.000 1.076 142 L CA 1.297 56.022 54.840 -0.192 0.000 0.761 142 L CB -0.126 41.772 42.059 -0.270 0.000 0.921 142 L HN -0.066 nan 8.230 nan 0.000 0.444 143 D N 0.307 120.693 120.400 -0.023 0.000 2.346 143 D HA 0.347 4.987 4.640 0.000 0.000 0.267 143 D C 1.099 177.524 176.300 0.208 0.000 1.320 143 D CA 1.057 55.121 54.000 0.106 0.000 0.951 143 D CB 0.813 41.727 40.800 0.190 0.000 1.079 143 D HN 0.311 nan 8.370 nan 0.000 0.509 144 A N 3.160 126.091 122.820 0.184 0.000 2.169 144 A HA -0.303 4.017 4.320 0.000 0.000 0.222 144 A C 1.646 179.221 177.584 -0.015 0.000 0.622 144 A CA 0.823 52.955 52.037 0.157 0.000 1.238 144 A CB -1.615 17.484 19.000 0.164 0.000 1.378 144 A HN 0.721 nan 8.150 nan 0.000 0.701 145 H N -0.334 118.711 119.070 -0.043 0.000 2.415 145 H HA 0.036 4.592 4.556 -0.000 0.000 0.297 145 H C 1.928 177.201 175.328 -0.091 0.000 1.048 145 H CA 1.240 57.255 56.048 -0.055 0.000 1.365 145 H CB 0.008 29.745 29.762 -0.042 0.000 1.421 145 H HN 0.520 nan 8.280 nan 0.000 0.533 146 K N 0.795 121.169 120.400 -0.044 0.000 2.031 146 K HA -0.041 4.279 4.320 0.000 0.000 0.205 146 K C 2.294 178.746 176.600 -0.247 0.000 1.049 146 K CA 0.474 56.643 56.287 -0.198 0.000 0.939 146 K CB -0.677 31.570 32.500 -0.423 0.000 0.717 146 K HN 0.055 nan 8.250 nan 0.000 0.438 147 V N 2.154 121.893 119.914 -0.291 0.000 2.332 147 V HA -0.222 3.898 4.120 0.000 0.000 0.248 147 V C 2.448 178.502 176.094 -0.066 0.000 1.055 147 V CA 1.465 63.645 62.300 -0.200 0.000 1.038 147 V CB -0.421 31.312 31.823 -0.150 0.000 0.651 147 V HN 0.182 nan 8.190 nan 0.000 0.450 148 L N 0.441 121.618 121.223 -0.077 0.000 2.027 148 L HA -0.129 4.211 4.340 0.000 0.000 0.206 148 L C 2.672 179.589 176.870 0.078 0.000 1.074 148 L CA 1.907 56.729 54.840 -0.031 0.000 0.745 148 L CB -0.744 41.272 42.059 -0.071 0.000 0.898 148 L HN 0.524 nan 8.230 nan 0.000 0.433 149 S N -0.151 115.570 115.700 0.035 0.000 2.453 149 S HA -0.043 4.427 4.470 0.000 0.000 0.231 149 S C 2.068 176.702 174.600 0.057 0.000 1.005 149 S CA 0.623 58.856 58.200 0.055 0.000 0.949 149 S CB -0.281 62.940 63.200 0.036 0.000 0.774 149 S HN 0.332 nan 8.310 nan 0.000 0.510 150 A N 1.469 124.308 122.820 0.032 0.000 1.930 150 A HA 0.202 4.522 4.320 0.000 0.000 0.217 150 A C 2.112 179.742 177.584 0.077 0.000 1.175 150 A CA 1.168 53.234 52.037 0.048 0.000 0.627 150 A CB -0.637 18.380 19.000 0.028 0.000 0.815 150 A HN 0.479 nan 8.150 nan 0.000 0.443 151 L N -0.636 120.652 121.223 0.108 0.000 2.313 151 L HA -0.019 4.321 4.340 0.000 0.000 0.214 151 L C 2.362 179.365 176.870 0.222 0.000 1.119 151 L CA 1.995 56.932 54.840 0.163 0.000 0.809 151 L CB -0.485 41.695 42.059 0.202 0.000 0.933 151 L HN 0.540 nan 8.230 nan 0.000 0.449 152 Q N -0.128 119.795 119.800 0.204 0.000 2.050 152 Q HA -0.154 4.186 4.340 0.000 0.000 0.202 152 Q C 2.211 178.271 176.000 0.099 0.000 0.980 152 Q CA 2.180 58.064 55.803 0.135 0.000 0.840 152 Q CB -0.375 28.423 28.738 0.100 0.000 0.898 152 Q HN 0.487 nan 8.270 nan 0.000 0.424 153 A N 0.274 123.146 122.820 0.087 0.000 1.892 153 A HA -0.191 4.129 4.320 0.000 0.000 0.218 153 A C 2.278 179.910 177.584 0.080 0.000 1.188 153 A CA 2.312 54.392 52.037 0.071 0.000 0.631 153 A CB -1.463 17.575 19.000 0.063 0.000 0.822 153 A HN 0.651 nan 8.150 nan 0.000 0.447 154 V N -2.161 117.805 119.914 0.087 0.000 2.594 154 V HA -0.314 3.806 4.120 0.000 0.000 0.253 154 V C 2.046 178.261 176.094 0.202 0.000 1.069 154 V CA 2.371 64.729 62.300 0.096 0.000 1.082 154 V CB -1.162 30.671 31.823 0.016 0.000 0.680 154 V HN 0.647 nan 8.190 nan 0.000 0.469 155 Q N 1.235 121.152 119.800 0.195 0.000 2.049 155 Q HA 0.029 4.369 4.340 0.000 0.000 0.198 155 Q C 2.459 178.524 176.000 0.108 0.000 0.971 155 Q CA 1.641 57.570 55.803 0.209 0.000 0.833 155 Q CB -0.662 28.164 28.738 0.148 0.000 0.896 155 Q HN 0.731 nan 8.270 nan 0.000 0.434 156 G N 0.970 109.817 108.800 0.077 0.000 2.432 156 G HA2 -0.223 3.737 3.960 0.000 0.000 0.219 156 G HA3 -0.223 3.737 3.960 0.000 0.000 0.219 156 G C 1.401 176.325 174.900 0.040 0.000 1.135 156 G CA 0.464 45.590 45.100 0.045 0.000 0.767 156 G HN 0.156 nan 8.290 nan 0.000 0.550 157 L N -0.257 121.001 121.223 0.058 0.000 2.083 157 L HA 0.026 4.366 4.340 0.000 0.000 0.209 157 L C 2.693 179.586 176.870 0.038 0.000 1.083 157 L CA 0.648 55.517 54.840 0.049 0.000 0.752 157 L CB -0.253 41.840 42.059 0.056 0.000 0.899 157 L HN 0.299 nan 8.230 nan 0.000 0.433 158 L N -0.657 120.589 121.223 0.038 0.000 1.988 158 L HA -0.082 4.258 4.340 0.000 0.000 0.207 158 L C 1.398 178.242 176.870 -0.043 0.000 1.071 158 L CA 1.029 55.842 54.840 -0.045 0.000 0.744 158 L CB 0.037 41.934 42.059 -0.271 0.000 0.893 158 L HN -0.033 nan 8.230 nan 0.000 0.433 159 V N 1.251 121.136 119.914 -0.049 0.000 2.149 159 V HA 0.329 4.449 4.120 0.000 0.000 0.245 159 V C 0.845 176.924 176.094 -0.026 0.000 1.349 159 V CA 0.474 62.736 62.300 -0.064 0.000 1.289 159 V CB -0.196 31.578 31.823 -0.082 0.000 1.401 159 V HN 0.533 nan 8.190 nan 0.000 0.501 160 A N 3.625 126.440 122.820 -0.009 0.000 2.164 160 A HA 0.546 4.866 4.320 0.000 0.000 0.218 160 A C 1.366 178.957 177.584 0.011 0.000 2.050 160 A CA 1.096 53.138 52.037 0.007 0.000 0.910 160 A CB -0.428 18.584 19.000 0.020 0.000 1.391 160 A HN 1.789 nan 8.150 nan 0.000 0.614 161 Q N -0.912 118.902 119.800 0.024 0.000 2.459 161 Q HA -0.079 4.261 4.340 0.000 0.000 0.314 161 Q C 1.590 177.606 176.000 0.027 0.000 1.432 161 Q CA 1.670 57.492 55.803 0.031 0.000 0.823 161 Q CB -2.802 25.949 28.738 0.022 0.000 1.124 161 Q HN 2.229 nan 8.270 nan 0.000 0.392 162 G N 0.953 109.770 108.800 0.029 0.000 2.484 162 G HA2 -0.188 3.772 3.960 0.000 0.000 0.215 162 G HA3 -0.188 3.772 3.960 0.000 0.000 0.215 162 G C 1.478 176.393 174.900 0.025 0.000 1.219 162 G CA 1.271 46.386 45.100 0.025 0.000 0.791 162 G HN 1.348 nan 8.290 nan 0.000 0.550 163 R N 0.313 120.831 120.500 0.029 0.000 2.236 163 R HA 0.441 4.781 4.340 0.000 0.000 0.208 163 R C 2.494 178.812 176.300 0.029 0.000 1.036 163 R CA 1.159 57.276 56.100 0.028 0.000 1.001 163 R CB -0.296 30.023 30.300 0.031 0.000 0.896 163 R HN 0.259 nan 8.270 nan 0.000 0.464 164 A N 1.446 124.286 122.820 0.033 0.000 1.897 164 A HA -0.153 4.167 4.320 0.000 0.000 0.215 164 A C 1.268 178.867 177.584 0.025 0.000 1.181 164 A CA 1.534 53.591 52.037 0.034 0.000 0.620 164 A CB -0.425 18.599 19.000 0.041 0.000 0.821 164 A HN 0.544 nan 8.150 nan 0.000 0.443 165 D N -2.014 118.398 120.400 0.021 0.000 4.137 165 D HA -0.184 4.456 4.640 0.000 0.000 0.214 165 D C 0.777 177.084 176.300 0.012 0.000 1.236 165 D CA 1.982 55.991 54.000 0.015 0.000 2.360 165 D CB -1.630 39.178 40.800 0.015 0.000 1.205 165 D HN 0.435 nan 8.370 nan 0.000 0.406 166 S N -0.031 115.677 115.700 0.014 0.000 2.612 166 S HA 0.132 4.602 4.470 0.000 0.000 0.253 166 S C -0.072 174.533 174.600 0.009 0.000 1.346 166 S CA -0.159 58.048 58.200 0.012 0.000 0.976 166 S CB 0.351 63.560 63.200 0.015 0.000 0.949 166 S HN 0.351 nan 8.310 nan 0.000 0.584 167 Q N 0.720 120.522 119.800 0.004 0.000 2.242 167 Q HA 0.117 4.457 4.340 0.000 0.000 0.284 167 Q C 1.056 177.055 176.000 -0.003 0.000 1.130 167 Q CA -0.059 55.741 55.803 -0.005 0.000 0.940 167 Q CB 0.193 28.926 28.738 -0.010 0.000 1.146 167 Q HN 0.751 nan 8.270 nan 0.000 0.388 168 A N 3.601 126.415 122.820 -0.010 0.000 2.067 168 A HA -0.164 4.156 4.320 0.000 0.000 0.219 168 A C 1.781 179.350 177.584 -0.025 0.000 1.158 168 A CA 1.853 53.889 52.037 -0.002 0.000 0.661 168 A CB -0.474 18.520 19.000 -0.009 0.000 0.801 168 A HN 0.988 nan 8.150 nan 0.000 0.452 169 Q N -2.150 117.611 119.800 -0.065 0.000 2.347 169 Q HA -0.211 4.129 4.340 0.000 0.000 0.159 169 Q C 0.602 176.471 176.000 -0.218 0.000 0.568 169 Q CA 1.482 57.226 55.803 -0.098 0.000 1.340 169 Q CB -3.102 25.611 28.738 -0.042 0.000 1.236 169 Q HN 1.858 nan 8.270 nan 0.000 0.988 170 L N -1.623 119.427 121.223 -0.287 0.000 2.312 170 L HA 0.911 5.251 4.340 0.000 0.000 0.281 170 L C 0.254 176.857 176.870 -0.445 0.000 1.070 170 L CA -0.904 53.621 54.840 -0.526 0.000 0.805 170 L CB 1.422 43.110 42.059 -0.618 0.000 1.174 170 L HN 0.491 nan 8.230 nan 0.000 0.434 171 L N 4.598 125.464 121.223 -0.595 0.000 2.401 171 L HA 0.608 4.948 4.340 0.000 0.000 0.266 171 L C -1.473 175.131 176.870 -0.445 0.000 0.991 171 L CA -0.881 53.727 54.840 -0.387 0.000 0.818 171 L CB 2.309 44.222 42.059 -0.243 0.000 1.321 171 L HN 0.729 nan 8.230 nan 0.000 0.413 172 L N 3.110 124.225 121.223 -0.181 0.000 2.518 172 L HA 0.489 4.829 4.340 0.000 0.000 0.262 172 L C -1.109 175.795 176.870 0.058 0.000 0.982 172 L CA 0.178 55.003 54.840 -0.026 0.000 0.873 172 L CB 1.706 43.808 42.059 0.072 0.000 1.198 172 L HN 0.465 nan 8.230 nan 0.000 0.427 173 S N 1.983 117.744 115.700 0.101 0.000 2.525 173 S HA 0.860 5.330 4.470 0.000 0.000 0.290 173 S C -0.338 174.380 174.600 0.197 0.000 1.152 173 S CA -0.415 57.883 58.200 0.163 0.000 1.072 173 S CB 1.437 64.797 63.200 0.266 0.000 1.027 173 S HN 0.664 nan 8.310 nan 0.000 0.500 174 T N -0.767 113.882 114.554 0.157 0.000 3.078 174 T HA 0.473 4.823 4.350 0.000 0.000 0.328 174 T C -0.559 174.192 174.700 0.086 0.000 0.987 174 T CA -0.832 61.345 62.100 0.129 0.000 1.049 174 T CB 0.074 68.946 68.868 0.007 0.000 1.011 174 T HN 0.514 nan 8.240 nan 0.000 0.463 175 V N 0.649 120.676 119.914 0.188 0.000 2.370 175 V HA 0.811 4.931 4.120 0.000 0.000 0.283 175 V C -0.277 175.909 176.094 0.154 0.000 1.023 175 V CA -0.902 61.472 62.300 0.123 0.000 0.857 175 V CB 1.285 33.172 31.823 0.106 0.000 0.985 175 V HN 0.652 nan 8.190 nan 0.000 0.443 176 V N 5.682 125.620 119.914 0.040 0.000 2.334 176 V HA 0.616 4.736 4.120 0.000 0.000 0.267 176 V C 1.207 177.228 176.094 -0.123 0.000 1.040 176 V CA 0.330 62.621 62.300 -0.014 0.000 0.866 176 V CB 0.880 32.661 31.823 -0.070 0.000 1.019 176 V HN 1.134 nan 8.190 nan 0.000 0.468 177 G N 3.552 112.328 108.800 -0.040 0.000 2.370 177 G HA2 0.478 4.438 3.960 0.000 0.000 0.272 177 G HA3 0.478 4.438 3.960 0.000 0.000 0.272 177 G C -0.494 174.101 174.900 -0.508 0.000 1.208 177 G CA -0.224 44.695 45.100 -0.301 0.000 0.856 177 G HN 0.574 nan 8.290 nan 0.000 0.500 178 V N 3.467 122.967 119.914 -0.689 0.000 2.313 178 V HA 0.222 4.342 4.120 0.000 0.000 0.262 178 V C -0.910 174.998 176.094 -0.309 0.000 1.011 178 V CA -0.696 61.368 62.300 -0.393 0.000 0.858 178 V CB -0.141 31.563 31.823 -0.198 0.000 1.104 178 V HN 0.588 nan 8.190 nan 0.000 0.456 179 F N 2.671 122.667 119.950 0.077 0.000 2.405 179 F HA 0.449 4.976 4.527 0.000 0.000 0.358 179 F C 1.374 177.283 175.800 0.183 0.000 1.151 179 F CA -0.370 57.708 58.000 0.129 0.000 1.161 179 F CB 0.840 39.955 39.000 0.192 0.000 1.245 179 F HN 0.433 nan 8.300 nan 0.000 0.545 180 T N 0.175 114.861 114.554 0.221 0.000 2.881 180 T HA 0.802 5.152 4.350 0.000 0.000 0.278 180 T C 0.348 175.186 174.700 0.230 0.000 0.982 180 T CA -0.919 61.250 62.100 0.116 0.000 0.989 180 T CB 1.542 70.404 68.868 -0.009 0.000 1.058 180 T HN 0.598 nan 8.240 nan 0.000 0.529 181 A N 1.394 124.276 122.820 0.103 0.000 2.280 181 A HA 0.652 4.972 4.320 0.000 0.000 0.268 181 A C -2.428 175.210 177.584 0.090 0.000 1.111 181 A CA -1.787 50.355 52.037 0.176 0.000 0.814 181 A CB -0.860 18.175 19.000 0.059 0.000 1.093 181 A HN 0.729 nan 8.150 nan 0.000 0.498 182 P HA 0.347 nan 4.420 nan 0.000 0.276 182 P C 0.577 177.876 177.300 -0.003 0.000 1.235 182 P CA 1.459 64.573 63.100 0.023 0.000 0.772 182 P CB 0.746 32.463 31.700 0.028 0.000 0.871 183 G N 2.584 111.351 108.800 -0.054 0.000 2.147 183 G HA2 -0.252 3.708 3.960 0.000 0.000 0.244 183 G HA3 -0.252 3.708 3.960 0.000 0.000 0.244 183 G C -0.243 174.637 174.900 -0.033 0.000 1.005 183 G CA -0.342 44.723 45.100 -0.059 0.000 0.713 183 G HN 0.577 nan 8.290 nan 0.000 0.515 184 L N 2.125 123.294 121.223 -0.090 0.000 2.288 184 L HA 0.371 4.711 4.340 0.000 0.000 0.283 184 L C 0.471 177.254 176.870 -0.144 0.000 1.072 184 L CA -0.918 53.885 54.840 -0.061 0.000 0.862 184 L CB 0.151 42.170 42.059 -0.067 0.000 1.245 184 L HN 0.247 nan 8.230 nan 0.000 0.432 185 H N 6.431 125.433 119.070 -0.114 0.000 3.224 185 H HA 0.102 4.658 4.556 -0.000 0.000 0.265 185 H C -0.129 175.062 175.328 -0.229 0.000 1.461 185 H CA -0.612 55.344 56.048 -0.153 0.000 1.509 185 H CB 0.057 29.768 29.762 -0.084 0.000 1.686 185 H HN 0.465 nan 8.280 nan 0.000 0.514 186 L N 0.236 121.273 121.223 -0.310 0.000 2.397 186 L HA 0.291 4.631 4.340 0.000 0.000 0.271 186 L C 0.190 176.830 176.870 -0.382 0.000 1.148 186 L CA -0.432 54.196 54.840 -0.354 0.000 0.825 186 L CB 0.634 42.462 42.059 -0.387 0.000 1.117 186 L HN 0.121 nan 8.230 nan 0.000 0.456 187 K N 1.428 121.733 120.400 -0.159 0.000 2.202 187 K HA 0.106 4.426 4.320 0.000 0.000 0.264 187 K C 0.588 177.306 176.600 0.197 0.000 1.010 187 K CA -0.383 55.913 56.287 0.016 0.000 0.940 187 K CB 1.064 33.588 32.500 0.040 0.000 0.983 187 K HN 0.739 nan 8.250 nan 0.000 0.475 188 Q N 3.190 123.166 119.800 0.293 0.000 1.990 188 Q HA -0.079 4.261 4.340 0.000 0.000 0.200 188 Q C -1.016 175.152 176.000 0.279 0.000 0.980 188 Q CA 1.798 57.826 55.803 0.376 0.000 0.832 188 Q CB -0.993 27.906 28.738 0.267 0.000 0.897 188 Q HN 0.431 nan 8.270 nan 0.000 0.427 189 P HA -0.158 nan 4.420 nan 0.000 0.219 189 P C 1.134 178.560 177.300 0.210 0.000 1.146 189 P CA 1.041 64.256 63.100 0.192 0.000 0.808 189 P CB -0.326 31.473 31.700 0.165 0.000 0.779 190 F N 1.419 121.425 119.950 0.094 0.000 2.134 190 F HA -0.181 4.346 4.527 0.000 0.000 0.299 190 F C 1.968 177.817 175.800 0.082 0.000 1.097 190 F CA 1.405 59.443 58.000 0.064 0.000 1.264 190 F CB -0.785 38.243 39.000 0.046 0.000 1.001 190 F HN -0.312 nan 8.300 nan 0.000 0.479 191 V N 0.424 120.465 119.914 0.211 0.000 2.515 191 V HA -0.281 3.839 4.120 0.000 0.000 0.250 191 V C 2.232 178.329 176.094 0.004 0.000 1.058 191 V CA 2.047 64.423 62.300 0.127 0.000 1.064 191 V CB -0.899 31.132 31.823 0.346 0.000 0.675 191 V HN 0.409 nan 8.190 nan 0.000 0.461 192 Q N 0.237 120.057 119.800 0.035 0.000 2.167 192 Q HA -0.094 4.246 4.340 0.000 0.000 0.202 192 Q C 2.412 178.371 176.000 -0.068 0.000 0.970 192 Q CA 1.462 57.273 55.803 0.013 0.000 0.855 192 Q CB -0.449 28.332 28.738 0.071 0.000 0.911 192 Q HN 0.729 nan 8.270 nan 0.000 0.438 193 G N 0.885 109.570 108.800 -0.191 0.000 2.421 193 G HA2 -0.244 3.716 3.960 0.000 0.000 0.216 193 G HA3 -0.244 3.716 3.960 0.000 0.000 0.216 193 G C 1.278 176.004 174.900 -0.290 0.000 1.171 193 G CA 0.567 45.414 45.100 -0.422 0.000 0.775 193 G HN 0.151 nan 8.290 nan 0.000 0.543 194 L N 1.465 122.509 121.223 -0.299 0.000 2.127 194 L HA 0.038 4.378 4.340 0.000 0.000 0.211 194 L C 3.259 180.118 176.870 -0.017 0.000 1.089 194 L CA 1.569 56.337 54.840 -0.121 0.000 0.757 194 L CB -0.793 41.188 42.059 -0.130 0.000 0.899 194 L HN 0.290 nan 8.230 nan 0.000 0.434 195 A N -0.976 121.818 122.820 -0.043 0.000 1.940 195 A HA -0.183 4.137 4.320 0.000 0.000 0.219 195 A C 2.210 179.795 177.584 0.001 0.000 1.176 195 A CA 1.581 53.608 52.037 -0.017 0.000 0.631 195 A CB -0.662 18.331 19.000 -0.013 0.000 0.814 195 A HN 0.324 nan 8.150 nan 0.000 0.446 196 L N -1.971 119.252 121.223 -0.000 0.000 2.093 196 L HA -0.136 4.204 4.340 0.000 0.000 0.208 196 L C 2.406 179.332 176.870 0.094 0.000 1.085 196 L CA 1.652 56.508 54.840 0.028 0.000 0.755 196 L CB -0.900 41.157 42.059 -0.004 0.000 0.904 196 L HN 0.599 nan 8.230 nan 0.000 0.435 197 Y N -0.489 119.787 120.300 -0.040 0.000 2.184 197 Y HA -0.015 4.535 4.550 -0.000 0.000 0.290 197 Y C 1.198 177.112 175.900 0.024 0.000 1.129 197 Y CA 1.022 59.120 58.100 -0.002 0.000 1.144 197 Y CB -0.037 38.425 38.460 0.003 0.000 0.995 197 Y HN 0.127 nan 8.280 nan 0.000 0.513 198 T N -0.308 114.171 114.554 -0.126 0.000 2.956 198 T HA 0.346 4.696 4.350 0.000 0.000 0.312 198 T C -2.371 172.281 174.700 -0.080 0.000 1.151 198 T CA -1.839 60.143 62.100 -0.198 0.000 1.024 198 T CB 1.736 70.401 68.868 -0.338 0.000 1.140 198 T HN -0.176 nan 8.240 nan 0.000 0.473 199 P HA 0.042 nan 4.420 nan 0.000 0.216 199 P C 0.373 177.650 177.300 -0.038 0.000 1.153 199 P CA 0.553 63.631 63.100 -0.036 0.000 0.848 199 P CB 0.040 31.724 31.700 -0.026 0.000 0.787 200 V N 1.328 121.217 119.914 -0.042 0.000 2.242 200 V HA 0.043 4.163 4.120 0.000 0.000 0.242 200 V C 0.163 176.231 176.094 -0.043 0.000 1.240 200 V CA 0.095 62.372 62.300 -0.038 0.000 1.211 200 V CB -0.402 31.406 31.823 -0.026 0.000 1.338 200 V HN -0.175 nan 8.190 nan 0.000 0.499 201 V N 6.632 126.522 119.914 -0.041 0.000 2.347 201 V HA 0.414 4.534 4.120 0.000 0.000 0.280 201 V C 0.036 176.103 176.094 -0.045 0.000 1.021 201 V CA -0.353 61.919 62.300 -0.046 0.000 0.847 201 V CB 1.655 33.464 31.823 -0.025 0.000 0.990 201 V HN 0.621 nan 8.190 nan 0.000 0.444 202 L N 7.891 129.063 121.223 -0.084 0.000 2.502 202 L HA 0.393 4.733 4.340 0.000 0.000 0.247 202 L C -2.345 174.398 176.870 -0.212 0.000 1.180 202 L CA -1.393 53.401 54.840 -0.077 0.000 0.956 202 L CB 1.678 43.739 42.059 0.003 0.000 1.282 202 L HN 0.441 nan 8.230 nan 0.000 0.470 203 P HA 0.318 nan 4.420 nan 0.000 0.282 203 P C -0.797 176.439 177.300 -0.106 0.000 1.262 203 P CA -0.384 62.638 63.100 -0.130 0.000 0.773 203 P CB 1.420 33.169 31.700 0.082 0.000 0.879 204 R N 1.486 121.872 120.500 -0.191 0.000 2.536 204 R HA 0.345 4.685 4.340 0.000 0.000 0.269 204 R C -0.149 176.154 176.300 0.004 0.000 1.113 204 R CA -0.375 55.660 56.100 -0.107 0.000 0.948 204 R CB 1.564 31.718 30.300 -0.243 0.000 1.237 204 R HN 0.565 nan 8.270 nan 0.000 0.441 205 S N 2.718 118.420 115.700 0.003 0.000 2.600 205 S HA 0.611 5.081 4.470 0.000 0.000 0.265 205 S C -0.426 174.190 174.600 0.026 0.000 1.325 205 S CA -0.519 57.707 58.200 0.045 0.000 1.002 205 S CB 1.263 64.467 63.200 0.006 0.000 0.921 205 S HN 0.433 nan 8.310 nan 0.000 0.554 206 L N 0.441 121.694 121.223 0.050 0.000 2.612 206 L HA 0.520 4.860 4.340 0.000 0.000 0.256 206 L C -1.924 174.890 176.870 -0.092 0.000 0.949 206 L CA -0.339 54.427 54.840 -0.123 0.000 0.867 206 L CB 2.196 44.040 42.059 -0.359 0.000 1.417 206 L HN 0.840 nan 8.230 nan 0.000 0.414 207 D N 2.239 122.539 120.400 -0.167 0.000 2.411 207 D HA 0.260 4.900 4.640 0.000 0.000 0.225 207 D C 0.351 176.567 176.300 -0.140 0.000 1.156 207 D CA 0.249 54.208 54.000 -0.069 0.000 0.874 207 D CB 0.232 40.997 40.800 -0.059 0.000 1.034 207 D HN 0.408 nan 8.370 nan 0.000 0.502 208 F N 1.024 120.961 119.950 -0.021 0.000 2.789 208 F HA -0.025 4.502 4.527 0.000 0.000 0.300 208 F C 2.562 178.354 175.800 -0.014 0.000 1.132 208 F CA 0.516 58.505 58.000 -0.018 0.000 1.404 208 F CB -0.038 38.957 39.000 -0.009 0.000 1.114 208 F HN 0.386 nan 8.300 nan 0.000 0.584 209 T N -2.127 112.504 114.554 0.128 0.000 2.759 209 T HA -0.195 4.155 4.350 0.000 0.000 0.269 209 T C 0.776 175.499 174.700 0.039 0.000 1.042 209 T CA 0.938 63.081 62.100 0.073 0.000 1.140 209 T CB -0.447 68.449 68.868 0.046 0.000 0.864 209 T HN 0.227 nan 8.240 nan 0.000 0.455 210 E N 1.096 121.299 120.200 0.005 0.000 2.014 210 E HA 0.380 4.730 4.350 0.000 0.000 0.275 210 E C 0.648 177.225 176.600 -0.038 0.000 0.997 210 E CA -0.295 56.094 56.400 -0.017 0.000 0.804 210 E CB 1.026 30.706 29.700 -0.035 0.000 1.090 210 E HN 0.376 nan 8.360 nan 0.000 0.401 211 L N 2.258 123.477 121.223 -0.007 0.000 2.072 211 L HA -0.166 4.174 4.340 0.000 0.000 0.205 211 L C 1.427 178.274 176.870 -0.039 0.000 1.079 211 L CA 0.838 55.672 54.840 -0.009 0.000 0.752 211 L CB -0.145 41.934 42.059 0.032 0.000 0.906 211 L HN 0.440 nan 8.230 nan 0.000 0.436 212 D N 0.050 120.434 120.400 -0.027 0.000 2.104 212 D HA -0.158 4.482 4.640 0.000 0.000 0.194 212 D C 2.299 178.568 176.300 -0.052 0.000 0.994 212 D CA 1.226 55.208 54.000 -0.030 0.000 0.830 212 D CB -0.250 40.539 40.800 -0.018 0.000 0.959 212 D HN 0.112 nan 8.370 nan 0.000 0.452 213 V N 1.068 120.944 119.914 -0.064 0.000 2.548 213 V HA -0.122 3.998 4.120 0.000 0.000 0.249 213 V C 2.421 178.438 176.094 -0.129 0.000 1.055 213 V CA 1.479 63.730 62.300 -0.081 0.000 1.065 213 V CB -0.657 31.122 31.823 -0.073 0.000 0.681 213 V HN 0.166 nan 8.190 nan 0.000 0.462 214 A N 0.331 123.046 122.820 -0.175 0.000 1.873 214 A HA -0.032 4.288 4.320 0.000 0.000 0.215 214 A C 2.451 179.888 177.584 -0.246 0.000 1.186 214 A CA 1.848 53.709 52.037 -0.292 0.000 0.616 214 A CB -0.834 17.895 19.000 -0.451 0.000 0.823 214 A HN 0.524 nan 8.150 nan 0.000 0.442 215 A N 0.849 123.574 122.820 -0.159 0.000 1.908 215 A HA -0.217 4.103 4.320 0.000 0.000 0.218 215 A C 2.016 179.547 177.584 -0.088 0.000 1.181 215 A CA 1.909 53.882 52.037 -0.107 0.000 0.627 215 A CB -0.692 18.277 19.000 -0.052 0.000 0.818 215 A HN 0.802 nan 8.150 nan 0.000 0.445 216 E N -1.051 119.103 120.200 -0.077 0.000 2.107 216 E HA -0.161 4.189 4.350 0.000 0.000 0.191 216 E C 1.702 178.262 176.600 -0.067 0.000 0.982 216 E CA 1.012 57.378 56.400 -0.056 0.000 0.809 216 E CB -0.197 29.477 29.700 -0.043 0.000 0.756 216 E HN 0.302 nan 8.360 nan 0.000 0.459 217 K N 0.525 120.865 120.400 -0.099 0.000 2.167 217 K HA -0.012 4.308 4.320 0.000 0.000 0.203 217 K C 2.080 178.613 176.600 -0.112 0.000 1.052 217 K CA 0.446 56.675 56.287 -0.098 0.000 0.956 217 K CB -0.233 32.191 32.500 -0.126 0.000 0.735 217 K HN 0.197 nan 8.250 nan 0.000 0.451 218 I N 2.117 122.568 120.570 -0.198 0.000 2.361 218 I HA -0.245 3.925 4.170 0.000 0.000 0.251 218 I C 1.501 177.550 176.117 -0.113 0.000 1.133 218 I CA 1.550 62.681 61.300 -0.282 0.000 1.413 218 I CB -0.046 37.700 38.000 -0.422 0.000 1.073 218 I HN 0.083 nan 8.210 nan 0.000 0.424 219 D N 0.103 120.466 120.400 -0.061 0.000 2.123 219 D HA -0.124 4.516 4.640 0.000 0.000 0.200 219 D C 2.323 178.605 176.300 -0.030 0.000 0.976 219 D CA 0.987 54.978 54.000 -0.015 0.000 0.831 219 D CB -0.140 40.663 40.800 0.005 0.000 0.974 219 D HN 0.335 nan 8.370 nan 0.000 0.469 220 R N -0.236 120.249 120.500 -0.025 0.000 2.120 220 R HA -0.105 4.235 4.340 0.000 0.000 0.234 220 R C 2.226 178.515 176.300 -0.018 0.000 1.123 220 R CA 0.719 56.802 56.100 -0.027 0.000 0.975 220 R CB -0.319 29.970 30.300 -0.018 0.000 0.866 220 R HN 0.204 nan 8.270 nan 0.000 0.446 221 F N 0.683 120.554 119.950 -0.131 0.000 2.074 221 F HA -0.185 4.342 4.527 -0.000 0.000 0.293 221 F C 2.178 177.886 175.800 -0.153 0.000 1.116 221 F CA 1.288 59.217 58.000 -0.118 0.000 1.212 221 F CB 0.005 38.953 39.000 -0.087 0.000 0.998 221 F HN -0.149 nan 8.300 nan 0.000 0.471 222 M N 0.506 119.977 119.600 -0.215 0.000 2.067 222 M HA -0.237 4.243 4.480 0.000 0.000 0.260 222 M C 2.170 178.182 176.300 -0.479 0.000 1.069 222 M CA 1.722 56.761 55.300 -0.436 0.000 1.117 222 M CB -1.566 30.776 32.600 -0.430 0.000 1.334 222 M HN 0.335 nan 8.290 nan 0.000 0.407 223 Q N -0.466 119.144 119.800 -0.317 0.000 2.181 223 Q HA -0.106 4.234 4.340 0.000 0.000 0.205 223 Q C 2.135 177.919 176.000 -0.361 0.000 0.980 223 Q CA 1.616 57.233 55.803 -0.309 0.000 0.862 223 Q CB -0.267 28.375 28.738 -0.160 0.000 0.905 223 Q HN 0.577 nan 8.270 nan 0.000 0.429 224 A N 0.157 122.772 122.820 -0.340 0.000 1.872 224 A HA -0.101 4.219 4.320 0.000 0.000 0.214 224 A C 2.282 179.605 177.584 -0.437 0.000 1.187 224 A CA 1.147 52.985 52.037 -0.331 0.000 0.614 224 A CB -0.460 18.384 19.000 -0.261 0.000 0.826 224 A HN 0.194 nan 8.150 nan 0.000 0.442 225 V N 0.438 119.992 119.914 -0.601 0.000 2.323 225 V HA -0.188 3.932 4.120 0.000 0.000 0.244 225 V C 2.984 178.714 176.094 -0.606 0.000 1.041 225 V CA 2.402 64.329 62.300 -0.621 0.000 1.025 225 V CB -1.261 30.055 31.823 -0.844 0.000 0.656 225 V HN 0.832 nan 8.190 nan 0.000 0.451 226 T N -2.019 112.081 114.554 -0.757 0.000 2.735 226 T HA 0.197 4.547 4.350 0.000 0.000 0.256 226 T C 1.586 175.481 174.700 -1.343 0.000 1.042 226 T CA 1.265 62.674 62.100 -1.153 0.000 1.147 226 T CB -0.209 67.790 68.868 -1.449 0.000 0.865 226 T HN 1.225 nan 8.240 nan 0.000 0.421 227 G N 0.978 109.153 108.800 -1.042 0.000 2.167 227 G HA2 0.015 3.975 3.960 0.000 0.000 0.194 227 G HA3 0.015 3.975 3.960 0.000 0.000 0.194 227 G C -0.416 174.163 174.900 -0.534 0.000 1.027 227 G CA -0.235 44.454 45.100 -0.684 0.000 0.717 227 G HN 1.033 nan 8.290 nan 0.000 0.501 228 W N -1.087 120.004 121.300 -0.349 0.000 3.425 228 W HA 0.782 5.442 4.660 0.000 0.000 0.318 228 W C -0.560 175.759 176.519 -0.333 0.000 1.201 228 W CA -2.450 54.587 57.345 -0.513 0.000 1.212 228 W CB 0.671 29.592 29.460 -0.897 0.000 1.355 228 W HN 0.038 nan 8.180 nan 0.000 0.515 229 K N 2.822 123.214 120.400 -0.013 0.000 2.382 229 K HA 0.290 4.610 4.320 0.000 0.000 0.286 229 K C 0.424 177.208 176.600 0.307 0.000 1.062 229 K CA 0.193 56.563 56.287 0.139 0.000 1.000 229 K CB 0.118 32.724 32.500 0.177 0.000 0.954 229 K HN 0.493 nan 8.250 nan 0.000 0.470 230 T N -0.754 113.981 114.554 0.302 0.000 2.909 230 T HA 0.363 4.713 4.350 0.000 0.000 0.286 230 T C 0.849 175.717 174.700 0.280 0.000 1.002 230 T CA -1.045 61.284 62.100 0.381 0.000 1.074 230 T CB 1.568 70.721 68.868 0.475 0.000 0.984 230 T HN 0.477 nan 8.240 nan 0.000 0.495 231 G N 1.855 110.814 108.800 0.265 0.000 2.852 231 G HA2 0.404 4.364 3.960 0.000 0.000 0.280 231 G HA3 0.404 4.364 3.960 0.000 0.000 0.280 231 G C 0.540 175.529 174.900 0.149 0.000 0.731 231 G CA -0.453 44.766 45.100 0.199 0.000 2.037 231 G HN 1.225 nan 8.290 nan 0.000 0.560 232 C N -0.522 118.856 119.300 0.130 0.000 0.168 232 C HA 0.056 4.516 4.460 0.000 0.000 0.017 232 C C 0.718 175.759 174.990 0.084 0.000 0.171 232 C CA -0.061 59.009 59.018 0.086 0.000 0.499 232 C CB -1.318 26.456 27.740 0.056 0.000 3.212 232 C HN 1.157 nan 8.230 nan 0.000 1.118 233 S N -0.991 114.738 115.700 0.049 0.000 2.552 233 S HA 0.669 5.139 4.470 0.000 0.000 0.272 233 S C -0.498 174.107 174.600 0.009 0.000 1.150 233 S CA 0.285 58.514 58.200 0.047 0.000 0.849 233 S CB 1.159 64.423 63.200 0.107 0.000 1.113 233 S HN 2.433 nan 8.310 nan 0.000 0.458 234 L N 1.863 123.096 121.223 0.017 0.000 3.865 234 L HA -0.092 4.248 4.340 0.000 0.000 0.408 234 L C -0.247 176.630 176.870 0.013 0.000 1.209 234 L CA 0.828 55.687 54.840 0.031 0.000 0.940 234 L CB -0.937 41.130 42.059 0.012 0.000 1.971 234 L HN 0.815 nan 8.230 nan 0.000 0.899 235 M N 0.590 120.175 119.600 -0.026 0.000 2.162 235 M HA 0.453 4.933 4.480 0.000 0.000 0.356 235 M C 1.495 177.779 176.300 -0.027 0.000 1.303 235 M CA 1.109 56.382 55.300 -0.045 0.000 1.116 235 M CB 0.222 32.743 32.600 -0.132 0.000 1.632 235 M HN 0.646 nan 8.290 nan 0.000 0.469 236 G N 4.062 112.870 108.800 0.013 0.000 2.176 236 G HA2 -0.178 3.782 3.960 0.000 0.000 0.252 236 G HA3 -0.178 3.782 3.960 0.000 0.000 0.252 236 G C 0.010 174.934 174.900 0.039 0.000 1.024 236 G CA 0.378 45.499 45.100 0.035 0.000 0.755 236 G HN 1.190 nan 8.290 nan 0.000 0.507 237 A N -0.265 122.583 122.820 0.046 0.000 2.309 237 A HA 0.839 5.159 4.320 0.000 0.000 0.298 237 A C 0.722 178.343 177.584 0.062 0.000 1.165 237 A CA 0.773 52.847 52.037 0.061 0.000 0.821 237 A CB 1.129 20.190 19.000 0.103 0.000 1.102 237 A HN 1.394 nan 8.150 nan 0.000 0.500 238 S N 0.987 116.716 115.700 0.047 0.000 2.600 238 S HA 0.238 4.708 4.470 0.000 0.000 0.265 238 S C 1.394 176.029 174.600 0.059 0.000 1.325 238 S CA -0.306 57.919 58.200 0.041 0.000 1.002 238 S CB 0.651 63.865 63.200 0.023 0.000 0.921 238 S HN 0.630 nan 8.310 nan 0.000 0.554 239 V N 1.772 121.718 119.914 0.052 0.000 2.379 239 V HA -0.035 4.085 4.120 0.000 0.000 0.245 239 V C 1.331 177.461 176.094 0.059 0.000 1.044 239 V CA 1.550 63.889 62.300 0.065 0.000 1.036 239 V CB -0.481 31.370 31.823 0.046 0.000 0.664 239 V HN 0.819 nan 8.190 nan 0.000 0.453 240 D N 1.049 121.466 120.400 0.029 0.000 2.688 240 D HA 0.213 4.853 4.640 0.000 0.000 0.228 240 D C -0.108 176.179 176.300 -0.022 0.000 1.116 240 D CA 0.357 54.363 54.000 0.009 0.000 1.023 240 D CB -0.041 40.761 40.800 0.005 0.000 1.100 240 D HN 0.344 nan 8.370 nan 0.000 0.487 241 S N -0.796 114.875 115.700 -0.047 0.000 2.704 241 S HA 0.568 5.038 4.470 0.000 0.000 0.296 241 S C 0.990 175.411 174.600 -0.297 0.000 1.138 241 S CA -0.549 57.555 58.200 -0.160 0.000 0.875 241 S CB 2.061 65.150 63.200 -0.185 0.000 1.151 241 S HN 0.431 nan 8.310 nan 0.000 0.500 242 T N -1.842 112.459 114.554 -0.422 0.000 3.388 242 T HA 0.325 4.675 4.350 0.000 0.000 0.254 242 T C 0.198 174.527 174.700 -0.619 0.000 1.002 242 T CA -0.229 61.599 62.100 -0.454 0.000 1.164 242 T CB -0.284 68.463 68.868 -0.202 0.000 1.184 242 T HN 0.374 nan 8.240 nan 0.000 0.399 243 L N 2.554 123.557 121.223 -0.366 0.000 2.375 243 L HA 0.737 5.077 4.340 0.000 0.000 0.271 243 L C -0.913 175.859 176.870 -0.164 0.000 1.107 243 L CA -0.334 54.387 54.840 -0.198 0.000 0.806 243 L CB 0.940 42.944 42.059 -0.090 0.000 1.146 243 L HN 0.616 nan 8.230 nan 0.000 0.447 244 A N 5.238 128.101 122.820 0.070 0.000 3.007 244 A HA 0.259 4.579 4.320 0.000 0.000 0.314 244 A C -1.004 176.775 177.584 0.326 0.000 1.153 244 A CA -0.456 51.714 52.037 0.221 0.000 0.780 244 A CB -0.191 19.056 19.000 0.413 0.000 1.258 244 A HN 0.604 nan 8.150 nan 0.000 0.460 245 F N 2.569 122.589 119.950 0.117 0.000 2.464 245 F HA 0.371 4.898 4.527 0.000 0.000 0.353 245 F C -0.267 175.618 175.800 0.141 0.000 1.191 245 F CA 0.037 58.113 58.000 0.127 0.000 1.147 245 F CB 0.238 39.282 39.000 0.073 0.000 1.294 245 F HN 0.470 nan 8.300 nan 0.000 0.583 246 N N 3.236 122.015 118.700 0.132 0.000 2.446 246 N HA 0.251 4.991 4.740 0.000 0.000 0.265 246 N C -0.757 174.824 175.510 0.118 0.000 0.975 246 N CA -0.498 52.648 53.050 0.160 0.000 0.928 246 N CB 1.600 40.281 38.487 0.322 0.000 1.160 246 N HN 0.290 nan 8.380 nan 0.000 0.495 247 T N 2.154 116.746 114.554 0.063 0.000 2.817 247 T HA 0.303 4.653 4.350 0.000 0.000 0.293 247 T C -0.529 174.181 174.700 0.016 0.000 0.964 247 T CA 0.119 62.299 62.100 0.134 0.000 1.085 247 T CB 0.157 69.153 68.868 0.213 0.000 0.921 247 T HN 0.253 nan 8.240 nan 0.000 0.502 248 Y N 1.546 121.953 120.300 0.177 0.000 2.326 248 Y HA 0.565 5.115 4.550 0.000 0.000 0.331 248 Y C 0.027 176.096 175.900 0.282 0.000 0.962 248 Y CA -0.900 57.350 58.100 0.250 0.000 1.167 248 Y CB 1.585 40.224 38.460 0.298 0.000 1.148 248 Y HN 0.401 nan 8.280 nan 0.000 0.463 249 V N 4.023 124.166 119.914 0.382 0.000 2.715 249 V HA 0.556 4.676 4.120 0.000 0.000 0.310 249 V C -1.584 174.672 176.094 0.270 0.000 1.054 249 V CA -0.564 61.941 62.300 0.342 0.000 0.928 249 V CB 1.923 33.961 31.823 0.360 0.000 1.007 249 V HN 0.876 nan 8.190 nan 0.000 0.437 250 H N 4.931 123.987 119.070 -0.024 0.000 2.924 250 H HA 0.509 5.065 4.556 0.000 0.000 0.333 250 H C -1.984 173.247 175.328 -0.161 0.000 0.979 250 H CA -0.495 55.340 56.048 -0.355 0.000 1.326 250 H CB 1.472 30.362 29.762 -1.454 0.000 1.600 250 H HN 0.620 nan 8.280 nan 0.000 0.520 251 F N 4.789 124.287 119.950 -0.753 0.000 2.411 251 F HA 0.361 4.888 4.527 -0.000 0.000 0.352 251 F C -0.623 174.588 175.800 -0.982 0.000 1.123 251 F CA -0.422 57.119 58.000 -0.765 0.000 1.044 251 F CB 1.371 39.825 39.000 -0.908 0.000 1.135 251 F HN 0.624 nan 8.300 nan 0.000 0.461 252 Q N 3.948 122.976 119.800 -1.287 0.000 2.282 252 Q HA 0.619 4.959 4.340 0.000 0.000 0.260 252 Q C -0.753 174.481 176.000 -1.277 0.000 0.964 252 Q CA -0.821 54.412 55.803 -0.950 0.000 0.880 252 Q CB 1.791 30.220 28.738 -0.515 0.000 1.286 252 Q HN 0.961 nan 8.270 nan 0.000 0.445 253 G N 3.753 112.073 108.800 -0.800 0.000 3.329 253 G HA2 0.243 4.203 3.960 0.000 0.000 0.313 253 G HA3 0.243 4.203 3.960 0.000 0.000 0.313 253 G C -1.025 173.703 174.900 -0.286 0.000 1.611 253 G CA -0.505 44.194 45.100 -0.668 0.000 0.991 253 G HN 0.478 nan 8.290 nan 0.000 0.508 254 K N 1.746 122.005 120.400 -0.234 0.000 2.276 254 K HA 0.429 4.749 4.320 0.000 0.000 0.283 254 K C 0.096 176.774 176.600 0.129 0.000 1.044 254 K CA 0.106 56.364 56.287 -0.049 0.000 0.944 254 K CB 1.450 33.920 32.500 -0.049 0.000 1.012 254 K HN 0.364 nan 8.250 nan 0.000 0.472 255 M N 3.247 122.894 119.600 0.079 0.000 2.072 255 M HA 0.262 4.742 4.480 0.000 0.000 0.331 255 M C -0.353 176.108 176.300 0.268 0.000 1.004 255 M CA -0.553 54.789 55.300 0.071 0.000 0.952 255 M CB 1.447 33.740 32.600 -0.511 0.000 1.511 255 M HN 0.241 nan 8.290 nan 0.000 0.422 256 K N 1.371 121.951 120.400 0.300 0.000 2.326 256 K HA 0.376 4.696 4.320 0.000 0.000 0.275 256 K C 0.939 177.767 176.600 0.379 0.000 1.018 256 K CA 0.480 56.937 56.287 0.284 0.000 0.962 256 K CB 0.827 33.438 32.500 0.185 0.000 0.953 256 K HN 0.999 nan 8.250 nan 0.000 0.475 257 G N 2.388 111.321 108.800 0.222 0.000 2.171 257 G HA2 -0.241 3.719 3.960 0.000 0.000 0.238 257 G HA3 -0.241 3.719 3.960 0.000 0.000 0.238 257 G C -0.535 174.235 174.900 -0.216 0.000 1.039 257 G CA -0.357 44.756 45.100 0.022 0.000 0.759 257 G HN 0.465 nan 8.290 nan 0.000 0.501 258 F N -0.318 119.664 119.950 0.052 0.000 2.613 258 F HA 0.787 5.314 4.527 -0.000 0.000 0.314 258 F C 0.354 176.170 175.800 0.027 0.000 1.075 258 F CA -0.755 57.265 58.000 0.033 0.000 0.945 258 F CB 2.540 41.554 39.000 0.025 0.000 1.310 258 F HN 0.092 nan 8.300 nan 0.000 0.467 259 S N 2.117 117.939 115.700 0.203 0.000 2.533 259 S HA 0.411 4.881 4.470 0.000 0.000 0.271 259 S C -1.817 172.847 174.600 0.106 0.000 1.143 259 S CA -0.632 57.640 58.200 0.120 0.000 0.891 259 S CB 2.074 65.317 63.200 0.070 0.000 1.105 259 S HN 0.560 nan 8.310 nan 0.000 0.468 260 L N 3.872 125.142 121.223 0.079 0.000 2.380 260 L HA 0.501 4.841 4.340 0.000 0.000 0.273 260 L C -1.163 175.738 176.870 0.053 0.000 1.138 260 L CA -0.195 54.682 54.840 0.063 0.000 0.832 260 L CB 0.149 42.236 42.059 0.048 0.000 1.124 260 L HN 0.670 nan 8.230 nan 0.000 0.454 261 L N 5.464 126.718 121.223 0.052 0.000 2.289 261 L HA 0.348 4.688 4.340 0.000 0.000 0.285 261 L C 1.334 178.225 176.870 0.034 0.000 1.049 261 L CA -0.452 54.414 54.840 0.043 0.000 0.804 261 L CB 1.360 43.446 42.059 0.045 0.000 1.195 261 L HN 0.789 nan 8.230 nan 0.000 0.428 262 A N 2.241 125.076 122.820 0.026 0.000 2.014 262 A HA -0.006 4.314 4.320 0.000 0.000 0.218 262 A C 0.762 178.355 177.584 0.016 0.000 1.163 262 A CA 0.828 52.877 52.037 0.020 0.000 0.652 262 A CB -0.096 18.914 19.000 0.017 0.000 0.808 262 A HN 0.704 nan 8.150 nan 0.000 0.449 263 E N 1.319 121.528 120.200 0.015 0.000 2.146 263 E HA 0.342 4.692 4.350 0.000 0.000 0.282 263 E C -2.663 173.941 176.600 0.008 0.000 0.989 263 E CA -2.212 54.193 56.400 0.008 0.000 0.799 263 E CB 0.851 30.553 29.700 0.004 0.000 1.088 263 E HN 0.296 nan 8.360 nan 0.000 0.397 264 P HA 0.117 nan 4.420 nan 0.000 0.286 264 P C 0.192 177.467 177.300 -0.042 0.000 1.269 264 P CA -0.287 62.814 63.100 0.002 0.000 0.787 264 P CB 1.433 33.134 31.700 0.003 0.000 0.920 265 Q N 3.123 122.881 119.800 -0.071 0.000 2.331 265 Q HA -0.043 4.297 4.340 0.000 0.000 0.203 265 Q C 0.228 176.038 176.000 -0.316 0.000 0.944 265 Q CA 1.041 56.740 55.803 -0.172 0.000 0.892 265 Q CB -0.303 28.307 28.738 -0.214 0.000 0.983 265 Q HN 0.716 nan 8.270 nan 0.000 0.482 266 E N -2.801 117.218 120.200 -0.302 0.000 8.710 266 E HA -0.217 4.133 4.350 0.000 0.000 0.468 266 E C -1.459 174.685 176.600 -0.759 0.000 1.162 266 E CA 0.563 56.748 56.400 -0.359 0.000 2.026 266 E CB -1.300 28.148 29.700 -0.419 0.000 1.008 266 E HN 0.125 nan 8.360 nan 0.000 0.263 267 F N -0.036 119.602 119.950 -0.520 0.000 2.629 267 F HA 0.639 5.166 4.527 -0.000 0.000 0.316 267 F C -0.374 175.124 175.800 -0.502 0.000 1.081 267 F CA -0.638 57.141 58.000 -0.368 0.000 0.954 267 F CB 1.570 40.523 39.000 -0.078 0.000 1.337 267 F HN 0.332 nan 8.300 nan 0.000 0.474 268 W N 2.472 123.889 121.300 0.196 0.000 2.338 268 W HA 0.330 4.990 4.660 0.000 0.000 0.315 268 W C 0.597 177.180 176.519 0.105 0.000 1.005 268 W CA -0.566 56.844 57.345 0.109 0.000 1.380 268 W CB 1.478 30.974 29.460 0.060 0.000 1.235 268 W HN 0.365 nan 8.180 nan 0.000 0.409 269 V N 2.812 122.856 119.914 0.217 0.000 2.594 269 V HA -0.206 3.914 4.120 0.000 0.000 0.253 269 V C 0.256 176.432 176.094 0.138 0.000 1.069 269 V CA 2.337 64.717 62.300 0.133 0.000 1.082 269 V CB -0.227 31.628 31.823 0.054 0.000 0.680 269 V HN 0.648 nan 8.190 nan 0.000 0.469 270 D N -3.029 117.476 120.400 0.175 0.000 2.583 270 D HA 0.201 4.841 4.640 0.000 0.000 0.248 270 D C 0.752 177.162 176.300 0.183 0.000 1.209 270 D CA -0.127 53.961 54.000 0.147 0.000 0.848 270 D CB 0.171 41.030 40.800 0.098 0.000 1.431 270 D HN 0.007 nan 8.370 nan 0.000 0.436 271 N N 0.526 119.291 118.700 0.109 0.000 2.184 271 N HA -0.297 4.443 4.740 0.000 0.000 0.190 271 N C 1.212 176.783 175.510 0.102 0.000 1.011 271 N CA 2.319 55.403 53.050 0.057 0.000 0.867 271 N CB -0.759 37.736 38.487 0.014 0.000 0.993 271 N HN 0.491 nan 8.380 nan 0.000 0.433 272 S N -0.459 115.316 115.700 0.124 0.000 2.371 272 S HA -0.014 4.456 4.470 0.000 0.000 0.219 272 S C 1.196 175.905 174.600 0.182 0.000 1.040 272 S CA 0.572 58.847 58.200 0.125 0.000 0.958 272 S CB -1.200 62.050 63.200 0.084 0.000 0.860 272 S HN 0.566 nan 8.310 nan 0.000 0.487 273 T N 1.789 116.445 114.554 0.171 0.000 2.904 273 T HA 0.623 4.973 4.350 0.000 0.000 0.290 273 T C -0.013 174.770 174.700 0.139 0.000 1.018 273 T CA -0.296 61.882 62.100 0.130 0.000 1.075 273 T CB 1.292 70.207 68.868 0.078 0.000 0.986 273 T HN 0.597 nan 8.240 nan 0.000 0.523 274 S N 0.209 115.903 115.700 -0.010 0.000 2.634 274 S HA 0.797 5.267 4.470 0.000 0.000 0.296 274 S C -1.081 173.409 174.600 -0.183 0.000 1.104 274 S CA -0.872 57.174 58.200 -0.256 0.000 0.920 274 S CB 1.616 64.610 63.200 -0.343 0.000 1.111 274 S HN 0.841 nan 8.310 nan 0.000 0.493 275 V N 1.147 120.916 119.914 -0.240 0.000 2.733 275 V HA 0.559 4.679 4.120 0.000 0.000 0.306 275 V C -0.119 175.912 176.094 -0.105 0.000 1.084 275 V CA -0.759 61.471 62.300 -0.116 0.000 0.905 275 V CB 1.869 33.661 31.823 -0.051 0.000 1.010 275 V HN 1.015 nan 8.190 nan 0.000 0.424 276 S N 3.579 119.237 115.700 -0.071 0.000 2.455 276 S HA 0.645 5.115 4.470 0.000 0.000 0.278 276 S C -0.611 173.991 174.600 0.004 0.000 1.216 276 S CA -0.095 58.078 58.200 -0.045 0.000 1.055 276 S CB 0.222 63.398 63.200 -0.039 0.000 0.939 276 S HN 0.593 nan 8.310 nan 0.000 0.494 277 V N 7.572 127.522 119.914 0.059 0.000 3.120 277 V HA 0.548 4.668 4.120 0.000 0.000 0.303 277 V C -2.126 174.056 176.094 0.146 0.000 1.238 277 V CA -1.657 60.702 62.300 0.098 0.000 1.008 277 V CB 2.571 34.463 31.823 0.114 0.000 1.064 277 V HN 0.719 nan 8.190 nan 0.000 0.434 278 P HA 0.384 nan 4.420 nan 0.000 0.282 278 P C -0.958 176.445 177.300 0.172 0.000 1.286 278 P CA -0.229 62.928 63.100 0.096 0.000 0.777 278 P CB 0.824 32.550 31.700 0.044 0.000 1.184 279 M N -1.192 118.485 119.600 0.128 0.000 2.683 279 M HA 0.437 4.917 4.480 0.000 0.000 0.274 279 M C -1.355 175.006 176.300 0.101 0.000 1.272 279 M CA -0.642 54.749 55.300 0.152 0.000 0.833 279 M CB 1.872 34.554 32.600 0.138 0.000 1.708 279 M HN 0.198 nan 8.290 nan 0.000 0.463 280 L N 1.562 122.850 121.223 0.108 0.000 2.518 280 L HA 0.325 4.665 4.340 0.000 0.000 0.262 280 L C -0.116 176.854 176.870 0.167 0.000 0.982 280 L CA -0.559 54.364 54.840 0.139 0.000 0.873 280 L CB 1.893 44.024 42.059 0.121 0.000 1.198 280 L HN 0.792 nan 8.230 nan 0.000 0.427 281 S N 1.066 116.829 115.700 0.104 0.000 2.548 281 S HA 0.719 5.189 4.470 0.000 0.000 0.277 281 S C 0.219 174.728 174.600 -0.151 0.000 1.315 281 S CA -0.355 57.829 58.200 -0.027 0.000 1.050 281 S CB 1.644 64.849 63.200 0.010 0.000 0.918 281 S HN 0.670 nan 8.310 nan 0.000 0.497 282 G N 2.888 111.447 108.800 -0.402 0.000 2.707 282 G HA2 0.575 4.535 3.960 0.000 0.000 0.299 282 G HA3 0.575 4.535 3.960 0.000 0.000 0.299 282 G C -0.834 173.800 174.900 -0.443 0.000 1.442 282 G CA -0.895 43.698 45.100 -0.845 0.000 1.009 282 G HN 0.569 nan 8.290 nan 0.000 0.515 283 M N 1.897 121.279 119.600 -0.365 0.000 2.125 283 M HA 0.757 5.237 4.480 0.000 0.000 0.321 283 M C 0.219 176.393 176.300 -0.210 0.000 0.983 283 M CA -1.310 53.895 55.300 -0.157 0.000 0.934 283 M CB 0.636 33.178 32.600 -0.096 0.000 1.542 283 M HN 0.920 nan 8.290 nan 0.000 0.424 284 G N 1.381 109.994 108.800 -0.312 0.000 2.377 284 G HA2 0.409 4.369 3.960 0.000 0.000 0.297 284 G HA3 0.409 4.369 3.960 0.000 0.000 0.297 284 G C -1.180 173.140 174.900 -0.967 0.000 1.547 284 G CA -0.809 43.869 45.100 -0.703 0.000 0.833 284 G HN 0.696 nan 8.290 nan 0.000 0.583 285 T N -0.107 114.003 114.554 -0.739 0.000 2.997 285 T HA 0.671 5.021 4.350 0.000 0.000 0.311 285 T C -0.117 174.322 174.700 -0.434 0.000 1.079 285 T CA -0.435 61.400 62.100 -0.442 0.000 0.982 285 T CB -0.524 68.225 68.868 -0.199 0.000 1.032 285 T HN 0.338 nan 8.240 nan 0.000 0.581 286 F N 0.845 120.835 119.950 0.067 0.000 2.461 286 F HA 0.610 5.137 4.527 -0.000 0.000 0.337 286 F C 0.801 176.687 175.800 0.144 0.000 1.079 286 F CA -1.580 56.474 58.000 0.090 0.000 1.032 286 F CB 0.926 39.971 39.000 0.075 0.000 1.327 286 F HN 0.236 nan 8.300 nan 0.000 0.491 287 Q N 0.352 120.397 119.800 0.408 0.000 2.241 287 Q HA 0.381 4.721 4.340 0.000 0.000 0.254 287 Q C -0.883 175.405 176.000 0.480 0.000 0.917 287 Q CA -0.403 55.658 55.803 0.430 0.000 0.919 287 Q CB 1.260 30.273 28.738 0.460 0.000 1.237 287 Q HN 0.576 nan 8.270 nan 0.000 0.434 288 H N 1.602 120.927 119.070 0.426 0.000 3.151 288 H HA 0.397 4.953 4.556 0.000 0.000 0.333 288 H C -2.127 173.431 175.328 0.382 0.000 1.093 288 H CA -0.863 55.281 56.048 0.160 0.000 1.342 288 H CB 0.822 30.633 29.762 0.081 0.000 1.983 288 H HN 0.826 nan 8.280 nan 0.000 0.503 289 W N 3.423 124.551 121.300 -0.286 0.000 3.259 289 W HA 0.542 5.202 4.660 0.000 0.000 0.331 289 W C -1.585 174.865 176.519 -0.115 0.000 1.144 289 W CA -1.039 56.129 57.345 -0.294 0.000 1.227 289 W CB 0.857 30.249 29.460 -0.115 0.000 1.371 289 W HN 0.571 nan 8.180 nan 0.000 0.491 290 S N 1.544 117.248 115.700 0.008 0.000 2.438 290 S HA 0.270 4.740 4.470 0.000 0.000 0.316 290 S C -0.781 173.924 174.600 0.175 0.000 1.084 290 S CA -0.580 57.711 58.200 0.152 0.000 1.107 290 S CB 1.437 64.792 63.200 0.258 0.000 0.981 290 S HN 0.515 nan 8.310 nan 0.000 0.466 291 D N 2.451 122.984 120.400 0.221 0.000 2.339 291 D HA 0.199 4.839 4.640 0.000 0.000 0.256 291 D C 1.005 177.363 176.300 0.096 0.000 1.214 291 D CA -0.765 53.336 54.000 0.168 0.000 0.877 291 D CB 0.424 41.312 40.800 0.147 0.000 1.111 291 D HN 0.511 nan 8.370 nan 0.000 0.478 292 I N 1.296 121.891 120.570 0.041 0.000 3.578 292 I HA 0.017 4.187 4.170 0.000 0.000 0.295 292 I C 1.616 177.742 176.117 0.015 0.000 1.280 292 I CA 0.366 61.654 61.300 -0.019 0.000 1.347 292 I CB -0.511 37.480 38.000 -0.017 0.000 1.051 292 I HN 0.286 nan 8.210 nan 0.000 0.460 293 Q N 1.532 121.357 119.800 0.041 0.000 1.990 293 Q HA -0.106 4.234 4.340 0.000 0.000 0.200 293 Q C 0.822 176.848 176.000 0.044 0.000 0.980 293 Q CA 1.713 57.538 55.803 0.036 0.000 0.832 293 Q CB -0.226 28.533 28.738 0.035 0.000 0.897 293 Q HN 0.579 nan 8.270 nan 0.000 0.427 294 D N 0.035 120.478 120.400 0.072 0.000 2.368 294 D HA 0.087 4.727 4.640 0.000 0.000 0.218 294 D C -0.702 175.705 176.300 0.178 0.000 1.112 294 D CA -0.168 53.897 54.000 0.108 0.000 0.834 294 D CB -0.150 40.715 40.800 0.109 0.000 0.953 294 D HN 0.106 nan 8.370 nan 0.000 0.505 295 N N 0.459 119.238 118.700 0.133 0.000 2.482 295 N HA -0.224 4.516 4.740 0.000 0.000 0.288 295 N C -1.180 174.503 175.510 0.288 0.000 1.319 295 N CA 0.519 53.632 53.050 0.105 0.000 0.671 295 N CB -0.994 37.592 38.487 0.165 0.000 0.911 295 N HN 0.197 nan 8.380 nan 0.000 0.531 296 F N 0.294 120.294 119.950 0.083 0.000 2.675 296 F HA 0.808 5.335 4.527 0.000 0.000 0.324 296 F C -0.502 175.468 175.800 0.283 0.000 1.106 296 F CA -0.134 57.970 58.000 0.172 0.000 0.970 296 F CB 1.954 41.013 39.000 0.097 0.000 1.385 296 F HN 0.256 nan 8.300 nan 0.000 0.489 297 S N 1.282 117.089 115.700 0.177 0.000 2.581 297 S HA 0.607 5.077 4.470 0.000 0.000 0.306 297 S C -2.179 172.451 174.600 0.049 0.000 1.080 297 S CA -0.889 57.443 58.200 0.220 0.000 0.925 297 S CB 0.643 63.989 63.200 0.242 0.000 1.128 297 S HN 0.516 nan 8.310 nan 0.000 0.451 298 V N 2.738 122.694 119.914 0.070 0.000 2.569 298 V HA 0.777 4.897 4.120 0.000 0.000 0.301 298 V C 0.335 176.359 176.094 -0.118 0.000 1.044 298 V CA -0.164 62.092 62.300 -0.074 0.000 0.874 298 V CB 1.723 33.480 31.823 -0.109 0.000 1.002 298 V HN 1.152 nan 8.190 nan 0.000 0.424 299 T N 2.073 116.527 114.554 -0.167 0.000 2.948 299 T HA 0.879 5.229 4.350 0.000 0.000 0.285 299 T C -0.612 174.001 174.700 -0.146 0.000 1.019 299 T CA -0.726 61.276 62.100 -0.163 0.000 1.013 299 T CB 2.151 70.861 68.868 -0.262 0.000 1.117 299 T HN 0.808 nan 8.240 nan 0.000 0.533 300 Q N -0.713 119.003 119.800 -0.141 0.000 2.501 300 Q HA 0.721 5.061 4.340 0.000 0.000 0.288 300 Q C -1.759 174.012 176.000 -0.382 0.000 1.051 300 Q CA -1.320 54.381 55.803 -0.171 0.000 0.788 300 Q CB 2.269 30.985 28.738 -0.037 0.000 1.469 300 Q HN 0.577 nan 8.270 nan 0.000 0.416 301 V N 1.699 121.375 119.914 -0.397 0.000 2.467 301 V HA 0.376 4.496 4.120 0.000 0.000 0.260 301 V C -2.688 173.087 176.094 -0.532 0.000 0.963 301 V CA -1.842 60.161 62.300 -0.495 0.000 0.856 301 V CB 1.059 32.551 31.823 -0.552 0.000 1.087 301 V HN 0.655 nan 8.190 nan 0.000 0.467 302 P HA 0.112 nan 4.420 nan 0.000 0.266 302 P C -0.921 176.137 177.300 -0.404 0.000 1.186 302 P CA 0.540 63.477 63.100 -0.273 0.000 0.767 302 P CB 0.138 31.836 31.700 -0.004 0.000 0.820 303 F N 1.138 121.144 119.950 0.092 0.000 2.310 303 F HA 0.260 4.787 4.527 0.000 0.000 0.365 303 F C 0.956 176.792 175.800 0.060 0.000 1.080 303 F CA -0.236 57.804 58.000 0.067 0.000 1.187 303 F CB -0.518 38.514 39.000 0.054 0.000 1.465 303 F HN 0.448 nan 8.300 nan 0.000 0.496 304 T N -1.196 113.466 114.554 0.180 0.000 4.252 304 T HA -0.359 3.991 4.350 0.000 0.000 0.331 304 T C 0.876 175.640 174.700 0.107 0.000 0.771 304 T CA 1.263 63.438 62.100 0.125 0.000 1.939 304 T CB -2.065 66.869 68.868 0.110 0.000 1.907 304 T HN 0.913 nan 8.240 nan 0.000 0.892 305 E N -0.468 119.796 120.200 0.106 0.000 4.711 305 E HA -0.437 3.913 4.350 0.000 0.000 0.183 305 E C 1.329 177.992 176.600 0.106 0.000 1.334 305 E CA 2.599 59.059 56.400 0.101 0.000 2.263 305 E CB -1.675 28.076 29.700 0.086 0.000 1.886 305 E HN 0.909 nan 8.360 nan 0.000 0.347 306 S N 0.404 116.157 115.700 0.088 0.000 2.426 306 S HA -0.262 4.208 4.470 0.000 0.000 0.259 306 S C 0.726 175.370 174.600 0.073 0.000 1.096 306 S CA 2.179 60.418 58.200 0.064 0.000 1.219 306 S CB -0.341 62.894 63.200 0.057 0.000 1.124 306 S HN 0.674 nan 8.310 nan 0.000 0.436 307 A N -0.645 122.264 122.820 0.148 0.000 2.306 307 A HA 0.624 4.944 4.320 0.000 0.000 0.314 307 A C -0.489 177.279 177.584 0.306 0.000 1.164 307 A CA -0.380 51.801 52.037 0.240 0.000 0.822 307 A CB 0.856 20.046 19.000 0.316 0.000 1.130 307 A HN 0.573 nan 8.150 nan 0.000 0.496 308 C N 2.296 121.782 119.300 0.310 0.000 2.607 308 C HA 0.442 4.902 4.460 0.000 0.000 0.350 308 C C -0.619 174.507 174.990 0.226 0.000 1.101 308 C CA -0.551 58.570 59.018 0.172 0.000 1.282 308 C CB 0.901 28.758 27.740 0.194 0.000 1.825 308 C HN 0.893 nan 8.230 nan 0.000 0.460 309 L N 5.380 126.640 121.223 0.063 0.000 2.295 309 L HA 0.522 4.862 4.340 0.000 0.000 0.288 309 L C -0.526 176.392 176.870 0.080 0.000 1.079 309 L CA 0.332 55.282 54.840 0.183 0.000 0.830 309 L CB -0.066 42.107 42.059 0.191 0.000 1.200 309 L HN 0.554 nan 8.230 nan 0.000 0.438 310 L N 6.344 127.649 121.223 0.137 0.000 2.265 310 L HA 0.345 4.685 4.340 0.000 0.000 0.288 310 L C -0.698 176.242 176.870 0.117 0.000 1.058 310 L CA -0.660 54.227 54.840 0.078 0.000 0.809 310 L CB 0.997 43.098 42.059 0.069 0.000 1.179 310 L HN 0.472 nan 8.230 nan 0.000 0.429 311 L N 5.398 126.655 121.223 0.057 0.000 2.283 311 L HA 0.362 4.702 4.340 0.000 0.000 0.281 311 L C -0.206 176.703 176.870 0.065 0.000 1.033 311 L CA -0.091 54.814 54.840 0.109 0.000 0.848 311 L CB 0.952 42.997 42.059 -0.023 0.000 1.226 311 L HN 0.399 nan 8.230 nan 0.000 0.429 312 I N 2.924 123.576 120.570 0.137 0.000 2.363 312 I HA 0.163 4.333 4.170 0.000 0.000 0.292 312 I C 0.442 176.554 176.117 -0.009 0.000 1.075 312 I CA 0.395 61.720 61.300 0.041 0.000 1.333 312 I CB 0.450 38.504 38.000 0.089 0.000 1.415 312 I HN 0.586 nan 8.210 nan 0.000 0.502 313 Q N 8.917 128.633 119.800 -0.139 0.000 2.290 313 Q HA 0.421 4.761 4.340 0.000 0.000 0.259 313 Q C -2.419 173.435 176.000 -0.243 0.000 0.941 313 Q CA -2.014 53.712 55.803 -0.127 0.000 0.912 313 Q CB 1.674 30.326 28.738 -0.143 0.000 1.244 313 Q HN 0.287 nan 8.270 nan 0.000 0.441 314 P HA 0.041 nan 4.420 nan 0.000 0.282 314 P C -0.294 177.005 177.300 -0.001 0.000 1.274 314 P CA 0.151 63.182 63.100 -0.115 0.000 0.770 314 P CB 1.006 32.703 31.700 -0.005 0.000 0.867 315 H N 3.430 122.486 119.070 -0.023 0.000 2.289 315 H HA -0.200 4.356 4.556 0.000 0.000 0.296 315 H C 1.143 176.489 175.328 0.029 0.000 1.091 315 H CA 2.316 58.384 56.048 0.034 0.000 1.274 315 H CB -0.332 29.505 29.762 0.125 0.000 1.364 315 H HN 0.440 nan 8.280 nan 0.000 0.490 316 Y N -1.298 119.082 120.300 0.134 0.000 2.314 316 Y HA 0.125 4.675 4.550 -0.000 0.000 0.294 316 Y C 1.916 177.834 175.900 0.031 0.000 1.119 316 Y CA 0.734 58.877 58.100 0.072 0.000 1.179 316 Y CB 0.253 38.761 38.460 0.080 0.000 1.025 316 Y HN 0.402 nan 8.280 nan 0.000 0.541 317 A N -0.588 122.340 122.820 0.180 0.000 2.899 317 A HA -0.312 4.008 4.320 0.000 0.000 0.257 317 A C 1.700 179.358 177.584 0.123 0.000 1.335 317 A CA 1.072 53.178 52.037 0.114 0.000 0.924 317 A CB -2.288 16.753 19.000 0.069 0.000 1.105 317 A HN 0.405 nan 8.150 nan 0.000 0.765 318 S N -0.518 115.277 115.700 0.157 0.000 2.341 318 S HA 0.092 4.562 4.470 0.000 0.000 0.216 318 S C 0.348 175.006 174.600 0.096 0.000 1.034 318 S CA 1.141 59.414 58.200 0.122 0.000 0.964 318 S CB -0.020 63.256 63.200 0.127 0.000 0.882 318 S HN 0.582 nan 8.310 nan 0.000 0.469 319 D N 1.605 122.062 120.400 0.096 0.000 2.460 319 D HA 0.334 4.974 4.640 0.000 0.000 0.232 319 D C 0.725 177.093 176.300 0.114 0.000 1.079 319 D CA -0.166 53.889 54.000 0.092 0.000 0.864 319 D CB 1.330 42.173 40.800 0.072 0.000 1.048 319 D HN 0.254 nan 8.370 nan 0.000 0.523 320 L N 0.604 121.901 121.223 0.123 0.000 2.049 320 L HA -0.075 4.265 4.340 0.000 0.000 0.203 320 L C 1.433 178.427 176.870 0.206 0.000 1.074 320 L CA 0.679 55.608 54.840 0.147 0.000 0.749 320 L CB -0.118 42.015 42.059 0.124 0.000 0.907 320 L HN 0.150 nan 8.230 nan 0.000 0.439 321 D N 0.923 121.458 120.400 0.224 0.000 2.191 321 D HA -0.208 4.432 4.640 0.000 0.000 0.195 321 D C 2.121 178.546 176.300 0.208 0.000 1.003 321 D CA 1.428 55.581 54.000 0.255 0.000 0.867 321 D CB -0.070 40.850 40.800 0.200 0.000 0.926 321 D HN 0.352 nan 8.370 nan 0.000 0.450 322 K N -0.055 120.443 120.400 0.164 0.000 2.044 322 K HA 0.008 4.328 4.320 0.000 0.000 0.204 322 K C 2.234 178.940 176.600 0.178 0.000 1.049 322 K CA 0.467 56.841 56.287 0.145 0.000 0.945 322 K CB 0.025 32.589 32.500 0.106 0.000 0.724 322 K HN -0.012 nan 8.250 nan 0.000 0.440 323 V N 2.040 122.071 119.914 0.195 0.000 2.323 323 V HA -0.191 3.929 4.120 0.000 0.000 0.244 323 V C 2.416 178.688 176.094 0.298 0.000 1.041 323 V CA 1.632 64.087 62.300 0.258 0.000 1.025 323 V CB -0.367 31.562 31.823 0.178 0.000 0.656 323 V HN 0.378 nan 8.190 nan 0.000 0.451 324 E N 1.092 121.446 120.200 0.256 0.000 2.160 324 E HA -0.209 4.141 4.350 0.000 0.000 0.195 324 E C 2.234 178.954 176.600 0.200 0.000 0.991 324 E CA 1.549 58.122 56.400 0.288 0.000 0.810 324 E CB -0.442 29.489 29.700 0.384 0.000 0.742 324 E HN 0.562 nan 8.360 nan 0.000 0.466 325 G N 1.342 110.238 108.800 0.159 0.000 2.450 325 G HA2 -0.215 3.745 3.960 0.000 0.000 0.220 325 G HA3 -0.215 3.745 3.960 0.000 0.000 0.220 325 G C 1.600 176.508 174.900 0.014 0.000 1.130 325 G CA 0.700 45.828 45.100 0.047 0.000 0.760 325 G HN 0.305 nan 8.290 nan 0.000 0.557 326 L N 1.504 122.792 121.223 0.109 0.000 2.645 326 L HA 0.137 4.477 4.340 0.000 0.000 0.235 326 L C 2.288 179.186 176.870 0.048 0.000 1.150 326 L CA 0.967 55.837 54.840 0.051 0.000 0.911 326 L CB -0.126 41.967 42.059 0.056 0.000 1.077 326 L HN 0.356 nan 8.230 nan 0.000 0.438 327 T N -5.149 109.483 114.554 0.130 0.000 3.044 327 T HA 0.164 4.514 4.350 0.000 0.000 0.260 327 T C 0.660 175.304 174.700 -0.093 0.000 1.019 327 T CA -0.033 62.118 62.100 0.086 0.000 0.921 327 T CB -0.097 68.891 68.868 0.201 0.000 1.053 327 T HN 0.167 nan 8.240 nan 0.000 0.533 328 F N 0.784 120.576 119.950 -0.263 0.000 2.775 328 F HA 0.461 4.988 4.527 0.000 0.000 0.313 328 F C 0.690 176.239 175.800 -0.419 0.000 1.121 328 F CA -1.050 56.823 58.000 -0.211 0.000 1.206 328 F CB 0.940 39.648 39.000 -0.487 0.000 1.052 328 F HN 0.112 nan 8.300 nan 0.000 0.524 329 Q N 2.203 121.794 119.800 -0.348 0.000 2.472 329 Q HA 0.436 4.776 4.340 0.000 0.000 0.227 329 Q C 0.812 176.491 176.000 -0.536 0.000 1.156 329 Q CA 0.802 56.419 55.803 -0.310 0.000 0.924 329 Q CB 0.091 28.731 28.738 -0.163 0.000 1.354 329 Q HN 0.516 nan 8.270 nan 0.000 0.525 330 Q N 2.536 121.955 119.800 -0.635 0.000 2.390 330 Q HA -0.398 3.942 4.340 0.000 0.000 0.453 330 Q C 0.911 176.722 176.000 -0.315 0.000 0.629 330 Q CA 2.459 58.038 55.803 -0.374 0.000 0.939 330 Q CB -2.147 26.526 28.738 -0.109 0.000 2.758 330 Q HN 0.961 nan 8.270 nan 0.000 0.985 331 N N 0.818 119.472 118.700 -0.076 0.000 2.494 331 N HA -0.035 4.705 4.740 0.000 0.000 0.182 331 N C 1.701 177.225 175.510 0.022 0.000 1.076 331 N CA 2.411 55.486 53.050 0.042 0.000 0.908 331 N CB -0.403 38.114 38.487 0.050 0.000 0.967 331 N HN 1.288 nan 8.380 nan 0.000 0.449 332 S N 1.197 116.853 115.700 -0.072 0.000 2.368 332 S HA -0.036 4.434 4.470 0.000 0.000 0.224 332 S C 1.882 176.498 174.600 0.026 0.000 1.029 332 S CA 0.485 58.685 58.200 -0.001 0.000 0.988 332 S CB -0.435 62.715 63.200 -0.083 0.000 0.838 332 S HN 0.094 nan 8.310 nan 0.000 0.462 333 L N 2.767 123.921 121.223 -0.116 0.000 2.131 333 L HA 0.006 4.346 4.340 0.000 0.000 0.210 333 L C 2.081 178.921 176.870 -0.049 0.000 1.092 333 L CA 1.428 56.207 54.840 -0.102 0.000 0.759 333 L CB -2.223 39.732 42.059 -0.174 0.000 0.903 333 L HN 0.347 nan 8.230 nan 0.000 0.435 334 N N -1.160 117.531 118.700 -0.016 0.000 2.207 334 N HA -0.184 4.556 4.740 0.000 0.000 0.182 334 N C 1.694 177.252 175.510 0.079 0.000 1.020 334 N CA 0.788 53.814 53.050 -0.041 0.000 0.858 334 N CB -0.525 37.983 38.487 0.035 0.000 0.991 334 N HN 0.485 nan 8.380 nan 0.000 0.427 335 W N 1.558 122.857 121.300 -0.002 0.000 2.699 335 W HA 0.201 4.861 4.660 -0.000 0.000 0.249 335 W C 0.024 176.587 176.519 0.072 0.000 1.280 335 W CA -0.061 57.309 57.345 0.042 0.000 1.345 335 W CB -0.236 29.244 29.460 0.033 0.000 1.128 335 W HN -0.135 nan 8.180 nan 0.000 0.642 336 M N 2.570 122.248 119.600 0.131 0.000 2.982 336 M HA -0.032 4.448 4.480 0.000 0.000 0.293 336 M C 0.207 176.647 176.300 0.233 0.000 1.611 336 M CA 1.356 56.744 55.300 0.147 0.000 1.576 336 M CB -0.202 32.489 32.600 0.153 0.000 1.555 336 M HN -0.133 nan 8.290 nan 0.000 0.485 337 K N 1.569 121.939 120.400 -0.049 0.000 3.513 337 K HA 0.089 4.409 4.320 0.000 0.000 0.164 337 K C 0.518 176.728 176.600 -0.650 0.000 1.041 337 K CA -0.081 56.130 56.287 -0.127 0.000 0.761 337 K CB 0.452 32.890 32.500 -0.104 0.000 0.811 337 K HN 0.407 nan 8.250 nan 0.000 0.510 338 K N 0.617 120.226 120.400 -1.319 0.000 2.211 338 K HA -0.007 4.313 4.320 0.000 0.000 0.203 338 K C 0.111 176.095 176.600 -1.026 0.000 1.050 338 K CA 0.899 56.416 56.287 -1.282 0.000 0.945 338 K CB 0.029 31.590 32.500 -1.564 0.000 0.732 338 K HN 0.356 nan 8.250 nan 0.000 0.451 339 L N 1.275 121.732 121.223 -1.276 0.000 3.601 339 L HA -0.178 4.162 4.340 0.000 0.000 0.469 339 L C -1.056 175.648 176.870 -0.277 0.000 1.294 339 L CA 0.732 55.285 54.840 -0.479 0.000 0.829 339 L CB -2.449 39.480 42.059 -0.216 0.000 1.628 339 L HN 0.001 nan 8.230 nan 0.000 0.868 340 S N 1.749 117.313 115.700 -0.227 0.000 2.410 340 S HA 0.575 5.045 4.470 0.000 0.000 0.304 340 S C -1.877 172.828 174.600 0.174 0.000 1.095 340 S CA -0.925 57.273 58.200 -0.003 0.000 1.089 340 S CB 1.178 64.385 63.200 0.012 0.000 0.968 340 S HN 0.245 nan 8.310 nan 0.000 0.480 341 P HA 0.422 nan 4.420 nan 0.000 0.277 341 P C -0.533 176.845 177.300 0.131 0.000 1.240 341 P CA -0.624 62.560 63.100 0.140 0.000 0.798 341 P CB 0.876 32.623 31.700 0.079 0.000 0.979 342 R N 0.041 120.629 120.500 0.146 0.000 2.664 342 R HA 0.357 4.697 4.340 0.000 0.000 0.266 342 R C -0.915 175.439 176.300 0.091 0.000 1.046 342 R CA -0.520 55.657 56.100 0.128 0.000 0.885 342 R CB 1.159 31.575 30.300 0.193 0.000 1.254 342 R HN 0.521 nan 8.270 nan 0.000 0.465 343 T N 2.127 116.713 114.554 0.053 0.000 2.738 343 T HA 0.417 4.767 4.350 0.000 0.000 0.293 343 T C 0.288 175.027 174.700 0.065 0.000 0.913 343 T CA -0.453 61.654 62.100 0.012 0.000 1.103 343 T CB 0.072 68.940 68.868 -0.001 0.000 0.880 343 T HN 0.235 nan 8.240 nan 0.000 0.526 344 I N 3.175 123.793 120.570 0.080 0.000 2.498 344 I HA 0.253 4.423 4.170 0.000 0.000 0.290 344 I C -0.189 176.028 176.117 0.167 0.000 1.032 344 I CA -1.126 60.265 61.300 0.152 0.000 1.073 344 I CB 1.520 39.661 38.000 0.235 0.000 1.251 344 I HN 0.840 nan 8.210 nan 0.000 0.426 345 H N 6.059 125.156 119.070 0.045 0.000 2.872 345 H HA 0.445 5.001 4.556 -0.000 0.000 0.273 345 H C -0.878 174.469 175.328 0.031 0.000 1.205 345 H CA -0.165 55.898 56.048 0.025 0.000 1.342 345 H CB 0.604 30.360 29.762 -0.009 0.000 1.469 345 H HN 0.561 nan 8.280 nan 0.000 0.487 346 L N 5.252 126.342 121.223 -0.221 0.000 2.380 346 L HA 0.318 4.658 4.340 0.000 0.000 0.273 346 L C -0.505 176.190 176.870 -0.291 0.000 1.138 346 L CA 0.030 54.770 54.840 -0.165 0.000 0.832 346 L CB 0.562 42.624 42.059 0.006 0.000 1.124 346 L HN 0.864 nan 8.230 nan 0.000 0.454 347 T N 3.110 117.566 114.554 -0.164 0.000 3.170 347 T HA 0.569 4.919 4.350 0.000 0.000 0.315 347 T C -0.621 174.052 174.700 -0.045 0.000 0.967 347 T CA -0.813 61.233 62.100 -0.091 0.000 1.024 347 T CB 1.196 70.036 68.868 -0.047 0.000 1.018 347 T HN 0.615 nan 8.240 nan 0.000 0.449 348 M N 0.936 120.539 119.600 0.005 0.000 2.569 348 M HA 0.744 5.224 4.480 0.000 0.000 0.279 348 M C -3.221 173.124 176.300 0.076 0.000 1.253 348 M CA -2.327 52.952 55.300 -0.035 0.000 0.867 348 M CB 2.364 34.834 32.600 -0.216 0.000 1.727 348 M HN 0.133 nan 8.290 nan 0.000 0.467 349 P HA 0.006 nan 4.420 nan 0.000 0.271 349 P C -1.252 176.005 177.300 -0.072 0.000 1.218 349 P CA 0.048 63.096 63.100 -0.086 0.000 0.780 349 P CB 0.568 31.918 31.700 -0.584 0.000 0.901 350 Q N 2.700 122.477 119.800 -0.038 0.000 2.281 350 Q HA 0.152 4.492 4.340 0.000 0.000 0.267 350 Q C -0.902 175.048 176.000 -0.084 0.000 1.053 350 Q CA 0.039 55.816 55.803 -0.043 0.000 0.905 350 Q CB -0.091 28.641 28.738 -0.010 0.000 1.195 350 Q HN 0.454 nan 8.270 nan 0.000 0.398 351 L N 5.021 126.188 121.223 -0.094 0.000 2.265 351 L HA 0.395 4.735 4.340 0.000 0.000 0.289 351 L C -0.231 176.575 176.870 -0.107 0.000 1.033 351 L CA -0.854 53.915 54.840 -0.119 0.000 0.814 351 L CB 1.142 43.117 42.059 -0.139 0.000 1.203 351 L HN 0.420 nan 8.230 nan 0.000 0.423 352 V N 2.842 122.674 119.914 -0.136 0.000 2.658 352 V HA 0.519 4.639 4.120 0.000 0.000 0.259 352 V C -0.720 175.215 176.094 -0.264 0.000 0.933 352 V CA -0.425 61.757 62.300 -0.197 0.000 0.871 352 V CB 0.852 32.616 31.823 -0.099 0.000 1.062 352 V HN 0.598 nan 8.190 nan 0.000 0.479 353 L N 3.583 124.601 121.223 -0.342 0.000 2.409 353 L HA 0.675 5.015 4.340 0.000 0.000 0.262 353 L C 0.085 176.763 176.870 -0.320 0.000 0.992 353 L CA -0.764 53.919 54.840 -0.262 0.000 0.817 353 L CB 2.644 44.618 42.059 -0.141 0.000 1.350 353 L HN 0.696 nan 8.230 nan 0.000 0.411 354 Q N 1.505 121.233 119.800 -0.120 0.000 2.247 354 Q HA 0.689 5.029 4.340 0.000 0.000 0.184 354 Q C -0.331 175.750 176.000 0.136 0.000 1.067 354 Q CA -0.449 55.408 55.803 0.091 0.000 1.115 354 Q CB 1.499 30.405 28.738 0.279 0.000 1.147 354 Q HN 0.717 nan 8.270 nan 0.000 0.599 355 G N 0.221 109.156 108.800 0.226 0.000 1.895 355 G HA2 0.378 4.338 3.960 0.000 0.000 0.302 355 G HA3 0.378 4.338 3.960 0.000 0.000 0.302 355 G C -1.421 173.660 174.900 0.301 0.000 1.691 355 G CA -0.496 44.759 45.100 0.259 0.000 0.929 355 G HN 0.513 nan 8.290 nan 0.000 0.629 356 S N 0.463 116.339 115.700 0.293 0.000 2.593 356 S HA 0.926 5.396 4.470 0.000 0.000 0.297 356 S C -0.939 173.890 174.600 0.381 0.000 1.112 356 S CA -0.582 57.740 58.200 0.203 0.000 1.043 356 S CB 1.212 64.474 63.200 0.102 0.000 1.054 356 S HN 1.188 nan 8.310 nan 0.000 0.516 357 Y N -0.955 119.448 120.300 0.172 0.000 2.376 357 Y HA 0.509 5.059 4.550 0.000 0.000 0.321 357 Y C -1.417 174.561 175.900 0.130 0.000 1.189 357 Y CA -1.195 57.031 58.100 0.210 0.000 1.069 357 Y CB 0.510 39.081 38.460 0.186 0.000 1.292 357 Y HN 0.409 nan 8.280 nan 0.000 0.430 358 D N 4.007 124.531 120.400 0.206 0.000 2.312 358 D HA 0.165 4.805 4.640 0.000 0.000 0.252 358 D C 0.892 177.297 176.300 0.174 0.000 1.150 358 D CA -0.252 53.811 54.000 0.105 0.000 0.870 358 D CB 1.439 42.291 40.800 0.087 0.000 1.153 358 D HN 0.745 nan 8.370 nan 0.000 0.457 359 L N 3.541 124.840 121.223 0.126 0.000 2.079 359 L HA -0.212 4.128 4.340 0.000 0.000 0.210 359 L C 2.279 179.250 176.870 0.168 0.000 1.081 359 L CA 1.556 56.497 54.840 0.168 0.000 0.752 359 L CB -0.841 41.288 42.059 0.116 0.000 0.896 359 L HN 0.689 nan 8.230 nan 0.000 0.433 360 Q N -1.294 118.590 119.800 0.140 0.000 2.224 360 Q HA -0.183 4.157 4.340 0.000 0.000 0.203 360 Q C 1.099 177.180 176.000 0.136 0.000 0.970 360 Q CA 1.438 57.354 55.803 0.188 0.000 0.865 360 Q CB -0.131 28.716 28.738 0.182 0.000 0.922 360 Q HN 0.372 nan 8.270 nan 0.000 0.445 361 D N 0.929 121.406 120.400 0.128 0.000 2.240 361 D HA -0.025 4.615 4.640 0.000 0.000 0.206 361 D C 1.919 178.278 176.300 0.099 0.000 0.963 361 D CA 0.286 54.354 54.000 0.113 0.000 0.863 361 D CB 0.049 40.935 40.800 0.144 0.000 0.973 361 D HN 0.166 nan 8.370 nan 0.000 0.501 362 L N 0.390 121.694 121.223 0.134 0.000 2.093 362 L HA 0.063 4.403 4.340 0.000 0.000 0.208 362 L C 0.324 177.225 176.870 0.051 0.000 1.085 362 L CA 1.008 55.910 54.840 0.104 0.000 0.755 362 L CB -0.235 41.944 42.059 0.201 0.000 0.904 362 L HN -0.053 nan 8.230 nan 0.000 0.435 363 L N 0.134 121.401 121.223 0.074 0.000 2.317 363 L HA 0.636 4.976 4.340 0.000 0.000 0.281 363 L C -0.440 176.445 176.870 0.025 0.000 1.024 363 L CA -0.300 54.565 54.840 0.041 0.000 0.810 363 L CB 1.626 43.722 42.059 0.061 0.000 1.240 363 L HN 0.133 nan 8.230 nan 0.000 0.427 364 A N 2.081 124.896 122.820 -0.008 0.000 2.567 364 A HA 0.455 4.775 4.320 0.000 0.000 0.291 364 A C -0.126 177.441 177.584 -0.029 0.000 1.048 364 A CA 0.134 52.163 52.037 -0.014 0.000 0.661 364 A CB 1.584 20.580 19.000 -0.005 0.000 1.288 364 A HN 0.748 nan 8.150 nan 0.000 0.424 365 Q N -1.402 118.384 119.800 -0.024 0.000 1.942 365 Q HA -0.397 3.943 4.340 0.000 0.000 0.173 365 Q C 1.737 177.724 176.000 -0.022 0.000 2.935 365 Q CA 3.262 59.051 55.803 -0.023 0.000 0.188 365 Q CB -1.804 26.919 28.738 -0.025 0.000 0.219 365 Q HN 2.164 nan 8.270 nan 0.000 0.363 366 A N -0.181 122.622 122.820 -0.028 0.000 1.898 366 A HA -0.164 4.156 4.320 0.000 0.000 0.216 366 A C 1.563 179.137 177.584 -0.017 0.000 1.181 366 A CA 2.094 54.118 52.037 -0.021 0.000 0.620 366 A CB -0.263 18.719 19.000 -0.029 0.000 0.819 366 A HN 0.576 nan 8.150 nan 0.000 0.442 367 E N -0.595 119.592 120.200 -0.022 0.000 2.434 367 E HA 0.122 4.472 4.350 0.000 0.000 0.207 367 E C 0.507 177.082 176.600 -0.042 0.000 0.929 367 E CA 0.297 56.682 56.400 -0.025 0.000 1.001 367 E CB 0.205 29.894 29.700 -0.018 0.000 1.016 367 E HN 0.537 nan 8.360 nan 0.000 0.502 368 L N -0.287 120.913 121.223 -0.038 0.000 3.965 368 L HA -0.163 4.177 4.340 0.000 0.000 0.476 368 L C -1.653 175.163 176.870 -0.091 0.000 1.201 368 L CA 0.600 55.413 54.840 -0.046 0.000 0.710 368 L CB -1.776 40.261 42.059 -0.035 0.000 1.509 368 L HN 0.133 nan 8.230 nan 0.000 0.815 369 P HA -0.048 nan 4.420 nan 0.000 0.224 369 P C 1.782 178.842 177.300 -0.401 0.000 1.157 369 P CA 1.818 64.707 63.100 -0.351 0.000 0.799 369 P CB 0.331 31.826 31.700 -0.341 0.000 0.809 370 A N 0.846 123.630 122.820 -0.060 0.000 1.915 370 A HA -0.223 4.097 4.320 0.000 0.000 0.220 370 A C 2.329 179.925 177.584 0.021 0.000 1.198 370 A CA 1.982 54.072 52.037 0.088 0.000 0.647 370 A CB -1.678 17.368 19.000 0.077 0.000 0.825 370 A HN 0.169 nan 8.150 nan 0.000 0.456 371 I N -1.175 119.373 120.570 -0.036 0.000 2.202 371 I HA -0.197 3.973 4.170 0.000 0.000 0.242 371 I C 2.371 178.452 176.117 -0.060 0.000 1.091 371 I CA 1.241 62.520 61.300 -0.035 0.000 1.368 371 I CB -0.317 37.661 38.000 -0.037 0.000 1.058 371 I HN 0.411 nan 8.210 nan 0.000 0.410 372 L N 0.332 121.474 121.223 -0.135 0.000 2.191 372 L HA -0.210 4.130 4.340 0.000 0.000 0.212 372 L C 2.499 179.292 176.870 -0.128 0.000 1.103 372 L CA 1.968 56.716 54.840 -0.154 0.000 0.769 372 L CB -0.921 41.009 42.059 -0.215 0.000 0.908 372 L HN 0.241 nan 8.230 nan 0.000 0.438 373 H N -0.711 118.350 119.070 -0.016 0.000 2.333 373 H HA 0.005 4.561 4.556 0.000 0.000 0.302 373 H C 1.919 177.229 175.328 -0.030 0.000 1.075 373 H CA 1.913 57.946 56.048 -0.025 0.000 1.348 373 H CB -0.861 28.890 29.762 -0.018 0.000 1.393 373 H HN 0.490 nan 8.280 nan 0.000 0.509 374 T N -0.826 113.787 114.554 0.099 0.000 3.215 374 T HA 0.004 4.354 4.350 0.000 0.000 0.254 374 T C 0.768 175.471 174.700 0.006 0.000 1.149 374 T CA -0.040 62.082 62.100 0.037 0.000 1.042 374 T CB 0.042 68.926 68.868 0.027 0.000 0.966 374 T HN 0.027 nan 8.240 nan 0.000 0.534 375 E N 0.912 121.111 120.200 -0.000 0.000 2.373 375 E HA 0.303 4.653 4.350 0.000 0.000 0.263 375 E C 1.009 177.597 176.600 -0.020 0.000 1.073 375 E CA -0.621 55.768 56.400 -0.019 0.000 0.894 375 E CB 0.840 30.522 29.700 -0.030 0.000 1.008 375 E HN 0.239 nan 8.360 nan 0.000 0.420 376 L N 3.152 124.357 121.223 -0.030 0.000 2.131 376 L HA -0.089 4.251 4.340 0.000 0.000 0.210 376 L C -0.140 176.711 176.870 -0.031 0.000 1.092 376 L CA 1.113 55.934 54.840 -0.032 0.000 0.759 376 L CB -0.119 41.918 42.059 -0.036 0.000 0.903 376 L HN 0.463 nan 8.230 nan 0.000 0.435 377 N N 0.152 118.837 118.700 -0.024 0.000 2.402 377 N HA 0.236 4.976 4.740 0.000 0.000 0.259 377 N C -0.172 175.325 175.510 -0.022 0.000 1.167 377 N CA 0.059 53.100 53.050 -0.015 0.000 0.949 377 N CB 1.148 39.643 38.487 0.013 0.000 1.212 377 N HN 0.127 nan 8.380 nan 0.000 0.493 378 L N 0.771 121.968 121.223 -0.043 0.000 2.692 378 L HA 0.213 4.553 4.340 0.000 0.000 0.175 378 L C 1.496 178.315 176.870 -0.085 0.000 1.112 378 L CA 0.224 55.022 54.840 -0.070 0.000 0.908 378 L CB -0.749 41.253 42.059 -0.095 0.000 1.672 378 L HN 0.444 nan 8.230 nan 0.000 0.500 379 Q N 0.042 119.791 119.800 -0.085 0.000 1.863 379 Q HA -0.452 3.888 4.340 0.000 0.000 0.194 379 Q C 1.716 177.658 176.000 -0.097 0.000 2.887 379 Q CA 2.489 58.246 55.803 -0.077 0.000 0.316 379 Q CB -1.234 27.474 28.738 -0.049 0.000 0.508 379 Q HN 0.372 nan 8.270 nan 0.000 0.415 380 K N 0.788 121.141 120.400 -0.079 0.000 2.293 380 K HA -0.116 4.204 4.320 0.000 0.000 0.204 380 K C 2.043 178.577 176.600 -0.110 0.000 1.045 380 K CA 1.567 57.825 56.287 -0.047 0.000 0.933 380 K CB -0.122 32.376 32.500 -0.004 0.000 0.736 380 K HN 0.387 nan 8.250 nan 0.000 0.463 381 L N 0.384 121.425 121.223 -0.303 0.000 2.262 381 L HA 0.012 4.352 4.340 0.000 0.000 0.197 381 L C 0.553 177.204 176.870 -0.365 0.000 1.073 381 L CA 0.209 54.666 54.840 -0.640 0.000 0.800 381 L CB 0.205 41.642 42.059 -1.038 0.000 0.987 381 L HN -0.015 nan 8.230 nan 0.000 0.470 382 S N -0.087 115.460 115.700 -0.255 0.000 2.422 382 S HA 0.061 4.531 4.470 0.000 0.000 0.283 382 S C 0.422 174.953 174.600 -0.115 0.000 1.163 382 S CA -0.528 57.569 58.200 -0.172 0.000 1.054 382 S CB 0.901 64.018 63.200 -0.139 0.000 0.967 382 S HN 0.360 nan 8.310 nan 0.000 0.499 383 N N 3.440 122.083 118.700 -0.095 0.000 2.148 383 N HA -0.030 4.710 4.740 0.000 0.000 0.186 383 N C 0.144 175.623 175.510 -0.051 0.000 1.031 383 N CA 1.242 54.255 53.050 -0.062 0.000 0.848 383 N CB -0.005 38.457 38.487 -0.042 0.000 1.005 383 N HN 0.717 nan 8.380 nan 0.000 0.427 384 D N -0.219 120.156 120.400 -0.042 0.000 2.507 384 D HA 0.163 4.803 4.640 0.000 0.000 0.280 384 D C -0.041 176.231 176.300 -0.046 0.000 1.219 384 D CA -0.346 53.635 54.000 -0.031 0.000 1.085 384 D CB 0.416 41.215 40.800 -0.002 0.000 1.134 384 D HN 0.065 nan 8.370 nan 0.000 0.583 385 R N 0.383 120.859 120.500 -0.040 0.000 2.370 385 R HA 0.320 4.660 4.340 0.000 0.000 0.309 385 R C -0.137 176.126 176.300 -0.062 0.000 1.059 385 R CA 0.052 56.125 56.100 -0.046 0.000 0.981 385 R CB 0.383 30.661 30.300 -0.037 0.000 0.972 385 R HN 0.282 nan 8.270 nan 0.000 0.437 386 I N 3.832 124.360 120.570 -0.070 0.000 2.336 386 I HA 0.278 4.448 4.170 0.000 0.000 0.292 386 I C 0.172 176.245 176.117 -0.073 0.000 0.991 386 I CA -0.559 60.690 61.300 -0.085 0.000 1.227 386 I CB 1.131 39.074 38.000 -0.095 0.000 1.366 386 I HN 0.460 nan 8.210 nan 0.000 0.466 387 R N 5.561 126.007 120.500 -0.090 0.000 2.545 387 R HA 0.279 4.619 4.340 0.000 0.000 0.289 387 R C -0.974 175.264 176.300 -0.103 0.000 1.327 387 R CA -0.557 55.498 56.100 -0.075 0.000 1.040 387 R CB 2.201 32.463 30.300 -0.063 0.000 1.176 387 R HN 0.400 nan 8.270 nan 0.000 0.518 388 V N 2.920 122.787 119.914 -0.079 0.000 2.585 388 V HA 0.166 4.286 4.120 0.000 0.000 0.296 388 V C 1.044 177.092 176.094 -0.076 0.000 1.035 388 V CA 0.974 63.218 62.300 -0.093 0.000 1.084 388 V CB 1.178 32.950 31.823 -0.084 0.000 0.953 388 V HN 0.905 nan 8.190 nan 0.000 0.483 389 G N 5.571 114.313 108.800 -0.096 0.000 2.437 389 G HA2 0.153 4.113 3.960 0.000 0.000 0.212 389 G HA3 0.153 4.113 3.960 0.000 0.000 0.212 389 G C 0.305 175.209 174.900 0.007 0.000 1.174 389 G CA 0.707 45.785 45.100 -0.036 0.000 0.811 389 G HN 0.946 nan 8.290 nan 0.000 0.537 390 E N -2.007 118.204 120.200 0.017 0.000 2.375 390 E HA 0.472 4.822 4.350 0.000 0.000 0.280 390 E C -1.843 174.777 176.600 0.034 0.000 0.972 390 E CA -1.001 55.413 56.400 0.023 0.000 0.782 390 E CB 2.121 31.845 29.700 0.040 0.000 1.229 390 E HN 0.065 nan 8.360 nan 0.000 0.439 391 V N 4.348 124.261 119.914 -0.002 0.000 2.266 391 V HA 0.388 4.508 4.120 0.000 0.000 0.266 391 V C -1.084 175.024 176.094 0.024 0.000 1.036 391 V CA -0.472 61.848 62.300 0.033 0.000 0.828 391 V CB 0.468 32.231 31.823 -0.100 0.000 1.081 391 V HN 0.752 nan 8.190 nan 0.000 0.449 392 L N 5.133 126.365 121.223 0.015 0.000 2.334 392 L HA 0.618 4.958 4.340 0.000 0.000 0.277 392 L C -0.173 176.573 176.870 -0.206 0.000 1.075 392 L CA -0.248 54.525 54.840 -0.110 0.000 0.804 392 L CB 1.390 43.374 42.059 -0.125 0.000 1.174 392 L HN 0.556 nan 8.230 nan 0.000 0.438 393 N N 1.741 120.185 118.700 -0.427 0.000 2.446 393 N HA 0.317 5.057 4.740 0.000 0.000 0.265 393 N C -1.260 173.930 175.510 -0.533 0.000 0.975 393 N CA -0.291 52.449 53.050 -0.516 0.000 0.928 393 N CB 1.721 39.759 38.487 -0.749 0.000 1.160 393 N HN 0.508 nan 8.380 nan 0.000 0.495 394 S N 1.682 117.207 115.700 -0.291 0.000 2.478 394 S HA 0.742 5.212 4.470 0.000 0.000 0.312 394 S C -0.240 174.456 174.600 0.161 0.000 1.094 394 S CA -0.862 57.290 58.200 -0.079 0.000 1.081 394 S CB 0.297 63.407 63.200 -0.151 0.000 1.007 394 S HN 0.436 nan 8.310 nan 0.000 0.475 395 I N 0.015 120.760 120.570 0.291 0.000 2.648 395 I HA 0.809 4.979 4.170 0.000 0.000 0.304 395 I C -1.082 175.258 176.117 0.371 0.000 1.009 395 I CA -1.193 60.345 61.300 0.396 0.000 1.114 395 I CB 1.360 39.694 38.000 0.557 0.000 1.293 395 I HN 0.648 nan 8.210 nan 0.000 0.449 396 F N 5.921 125.941 119.950 0.118 0.000 2.686 396 F HA 0.504 5.031 4.527 0.000 0.000 0.365 396 F C -1.228 174.508 175.800 -0.107 0.000 1.196 396 F CA -0.779 57.237 58.000 0.027 0.000 1.198 396 F CB 0.618 39.600 39.000 -0.029 0.000 1.454 396 F HN 0.495 nan 8.300 nan 0.000 0.539 397 F N 4.107 123.846 119.950 -0.352 0.000 2.438 397 F HA 0.377 4.904 4.527 -0.000 0.000 0.356 397 F C -0.037 175.534 175.800 -0.383 0.000 1.099 397 F CA 0.180 57.953 58.000 -0.379 0.000 1.185 397 F CB 0.573 39.343 39.000 -0.383 0.000 1.115 397 F HN 0.424 nan 8.300 nan 0.000 0.526 398 E N 6.575 126.444 120.200 -0.551 0.000 2.263 398 E HA 0.454 4.804 4.350 0.000 0.000 0.268 398 E C -1.821 174.573 176.600 -0.343 0.000 0.884 398 E CA -0.684 55.509 56.400 -0.346 0.000 0.766 398 E CB 1.384 30.942 29.700 -0.237 0.000 1.196 398 E HN 0.652 nan 8.360 nan 0.000 0.416 399 L N 3.309 124.427 121.223 -0.175 0.000 2.346 399 L HA 0.589 4.929 4.340 0.000 0.000 0.276 399 L C -0.187 176.622 176.870 -0.102 0.000 1.006 399 L CA -0.579 54.186 54.840 -0.126 0.000 0.817 399 L CB 1.864 43.893 42.059 -0.049 0.000 1.272 399 L HN 0.601 nan 8.230 nan 0.000 0.421 400 E N 1.064 121.206 120.200 -0.097 0.000 2.450 400 E HA 0.854 5.204 4.350 0.000 0.000 0.272 400 E C -1.311 175.272 176.600 -0.027 0.000 0.967 400 E CA -0.983 55.383 56.400 -0.056 0.000 0.818 400 E CB 2.585 32.249 29.700 -0.060 0.000 1.401 400 E HN 0.608 nan 8.360 nan 0.000 0.450 401 A N 0.544 123.378 122.820 0.024 0.000 2.498 401 A HA 0.549 4.869 4.320 0.000 0.000 0.298 401 A C -1.309 176.325 177.584 0.083 0.000 1.075 401 A CA -0.653 51.438 52.037 0.090 0.000 0.714 401 A CB 1.114 20.203 19.000 0.148 0.000 1.299 401 A HN 0.590 nan 8.150 nan 0.000 0.407 402 D N 1.333 121.800 120.400 0.110 0.000 2.720 402 D HA 0.279 4.919 4.640 0.000 0.000 0.285 402 D C -0.249 176.099 176.300 0.079 0.000 1.359 402 D CA 0.124 54.173 54.000 0.080 0.000 0.818 402 D CB 0.153 40.998 40.800 0.075 0.000 1.108 402 D HN 0.709 nan 8.370 nan 0.000 0.474 417 E N 1.700 121.895 120.200 -0.008 0.000 2.375 417 E HA 0.549 4.899 4.350 0.000 0.000 0.280 417 E C -0.862 175.740 176.600 0.004 0.000 0.972 417 E CA -0.716 55.683 56.400 -0.002 0.000 0.782 417 E CB 2.601 32.303 29.700 0.004 0.000 1.229 417 E HN 0.144 nan 8.360 nan 0.000 0.439 418 V N -0.824 119.095 119.914 0.008 0.000 3.182 418 V HA 0.687 4.807 4.120 0.000 0.000 0.308 418 V C -1.115 175.002 176.094 0.039 0.000 1.240 418 V CA -1.175 61.141 62.300 0.026 0.000 1.063 418 V CB 2.162 33.998 31.823 0.023 0.000 1.076 418 V HN 0.749 nan 8.190 nan 0.000 0.446 419 L N 1.264 122.526 121.223 0.066 0.000 2.342 419 L HA 0.594 4.934 4.340 0.000 0.000 0.276 419 L C 0.027 176.939 176.870 0.070 0.000 0.997 419 L CA -0.300 54.579 54.840 0.065 0.000 0.838 419 L CB 1.454 43.571 42.059 0.096 0.000 1.224 419 L HN 1.055 nan 8.230 nan 0.000 0.416 420 E N 4.332 124.560 120.200 0.046 0.000 1.802 420 E HA 0.052 4.402 4.350 0.000 0.000 0.265 420 E C -0.707 175.916 176.600 0.040 0.000 1.168 420 E CA -0.249 56.197 56.400 0.077 0.000 1.033 420 E CB 0.814 30.521 29.700 0.011 0.000 1.095 420 E HN 0.450 nan 8.360 nan 0.000 0.436 421 V N 5.322 125.248 119.914 0.021 0.000 2.313 421 V HA 0.176 4.296 4.120 0.000 0.000 0.252 421 V C -0.500 175.550 176.094 -0.073 0.000 1.112 421 V CA 0.074 62.329 62.300 -0.074 0.000 0.984 421 V CB 0.718 32.447 31.823 -0.158 0.000 1.157 421 V HN 0.515 nan 8.190 nan 0.000 0.493 422 T N 7.676 122.195 114.554 -0.060 0.000 2.902 422 T HA 0.503 4.853 4.350 0.000 0.000 0.283 422 T C 0.336 174.991 174.700 -0.074 0.000 1.009 422 T CA -0.427 61.644 62.100 -0.049 0.000 1.051 422 T CB 1.596 70.453 68.868 -0.018 0.000 0.999 422 T HN 0.513 nan 8.240 nan 0.000 0.474 423 L N 3.489 124.683 121.223 -0.047 0.000 3.096 423 L HA 0.216 4.556 4.340 0.000 0.000 0.247 423 L C 1.722 178.765 176.870 0.288 0.000 1.321 423 L CA -0.538 54.274 54.840 -0.047 0.000 1.044 423 L CB -0.391 41.370 42.059 -0.497 0.000 1.434 423 L HN 0.634 nan 8.230 nan 0.000 0.533 424 N N 0.871 119.704 118.700 0.221 0.000 2.205 424 N HA -0.185 4.555 4.740 0.000 0.000 0.186 424 N C 0.760 176.595 175.510 0.541 0.000 1.015 424 N CA 1.184 54.434 53.050 0.333 0.000 0.862 424 N CB 0.085 38.714 38.487 0.237 0.000 0.986 424 N HN 0.410 nan 8.380 nan 0.000 0.429 425 R N 0.156 120.864 120.500 0.347 0.000 2.758 425 R HA 0.467 4.807 4.340 0.000 0.000 0.265 425 R C -2.380 174.098 176.300 0.297 0.000 1.016 425 R CA -2.122 54.161 56.100 0.305 0.000 1.040 425 R CB 0.768 31.175 30.300 0.179 0.000 1.152 425 R HN 0.049 nan 8.270 nan 0.000 0.503 426 P HA -0.113 nan 4.420 nan 0.000 0.266 426 P C -1.130 176.304 177.300 0.223 0.000 1.180 426 P CA 0.774 63.963 63.100 0.147 0.000 0.765 426 P CB 0.271 31.983 31.700 0.020 0.000 0.806 427 F N 0.376 120.305 119.950 -0.035 0.000 2.715 427 F HA 0.692 5.219 4.527 -0.000 0.000 0.318 427 F C -1.941 173.871 175.800 0.019 0.000 1.141 427 F CA -1.282 56.706 58.000 -0.020 0.000 0.950 427 F CB 0.787 39.769 39.000 -0.029 0.000 1.374 427 F HN -0.060 nan 8.300 nan 0.000 0.477 428 L N 1.798 123.094 121.223 0.123 0.000 2.319 428 L HA 0.699 5.039 4.340 0.000 0.000 0.267 428 L C -0.668 176.392 176.870 0.317 0.000 1.011 428 L CA -0.706 54.195 54.840 0.101 0.000 0.818 428 L CB 1.719 43.859 42.059 0.135 0.000 1.316 428 L HN 0.947 nan 8.230 nan 0.000 0.432 429 F N -0.579 119.358 119.950 -0.023 0.000 2.741 429 F HA 0.878 5.405 4.527 -0.000 0.000 0.313 429 F C -1.313 174.464 175.800 -0.038 0.000 1.153 429 F CA -1.346 56.660 58.000 0.010 0.000 0.931 429 F CB 1.798 40.811 39.000 0.021 0.000 1.335 429 F HN 0.536 nan 8.300 nan 0.000 0.460 430 A N 1.647 124.385 122.820 -0.138 0.000 2.534 430 A HA 0.591 4.911 4.320 0.000 0.000 0.300 430 A C -1.360 176.282 177.584 0.096 0.000 1.054 430 A CA -0.286 51.624 52.037 -0.212 0.000 0.858 430 A CB 0.418 19.302 19.000 -0.193 0.000 1.333 430 A HN 2.160 nan 8.150 nan 0.000 0.391 431 V N 0.826 120.847 119.914 0.178 0.000 2.530 431 V HA 0.753 4.873 4.120 0.000 0.000 0.282 431 V C -0.415 175.880 176.094 0.336 0.000 1.048 431 V CA -0.289 62.194 62.300 0.305 0.000 0.997 431 V CB 0.681 32.668 31.823 0.273 0.000 0.987 431 V HN 1.272 nan 8.190 nan 0.000 0.477 432 Y N 2.955 123.378 120.300 0.206 0.000 2.477 432 Y HA 0.661 5.211 4.550 -0.000 0.000 0.347 432 Y C -0.920 175.104 175.900 0.208 0.000 0.981 432 Y CA -1.162 57.048 58.100 0.183 0.000 1.033 432 Y CB 2.063 40.596 38.460 0.122 0.000 1.245 432 Y HN 0.869 nan 8.280 nan 0.000 0.455 433 D N 4.001 124.063 120.400 -0.563 0.000 2.256 433 D HA 0.232 4.872 4.640 0.000 0.000 0.240 433 D C 0.112 175.903 176.300 -0.848 0.000 1.062 433 D CA -0.085 53.654 54.000 -0.435 0.000 0.832 433 D CB 1.911 42.670 40.800 -0.067 0.000 1.135 433 D HN 0.853 nan 8.370 nan 0.000 0.484 434 Q N 1.389 120.948 119.800 -0.402 0.000 2.137 434 Q HA -0.081 4.259 4.340 0.000 0.000 0.198 434 Q C 1.868 177.811 176.000 -0.094 0.000 0.960 434 Q CA 1.174 56.876 55.803 -0.169 0.000 0.847 434 Q CB 0.120 28.883 28.738 0.040 0.000 0.915 434 Q HN 0.593 nan 8.270 nan 0.000 0.448 435 S N 0.537 116.195 115.700 -0.070 0.000 2.402 435 S HA -0.013 4.457 4.470 0.000 0.000 0.229 435 S C 1.772 176.356 174.600 -0.028 0.000 1.021 435 S CA 0.855 59.040 58.200 -0.025 0.000 0.974 435 S CB 0.005 63.204 63.200 -0.001 0.000 0.800 435 S HN 0.315 nan 8.310 nan 0.000 0.484 436 A N 1.488 124.274 122.820 -0.056 0.000 2.500 436 A HA 0.471 4.791 4.320 0.000 0.000 0.267 436 A C 1.095 178.621 177.584 -0.097 0.000 1.290 436 A CA 0.371 52.379 52.037 -0.049 0.000 0.928 436 A CB -1.072 17.922 19.000 -0.010 0.000 1.066 436 A HN 1.135 nan 8.150 nan 0.000 0.516 437 T N -2.750 111.734 114.554 -0.117 0.000 3.538 437 T HA -0.079 4.271 4.350 0.000 0.000 0.385 437 T C 0.165 174.862 174.700 -0.006 0.000 0.766 437 T CA 0.963 63.047 62.100 -0.028 0.000 1.906 437 T CB -2.506 66.398 68.868 0.061 0.000 1.760 437 T HN 1.926 nan 8.240 nan 0.000 0.678 438 A N 1.000 123.713 122.820 -0.179 0.000 2.398 438 A HA 0.704 5.024 4.320 0.000 0.000 0.301 438 A C -0.230 177.338 177.584 -0.027 0.000 1.041 438 A CA -1.339 50.623 52.037 -0.125 0.000 0.711 438 A CB 1.085 19.922 19.000 -0.272 0.000 1.240 438 A HN 1.036 nan 8.150 nan 0.000 0.420 439 L N 1.072 122.362 121.223 0.112 0.000 2.268 439 L HA 0.463 4.803 4.340 0.000 0.000 0.289 439 L C 0.794 177.646 176.870 -0.029 0.000 1.064 439 L CA 0.031 54.981 54.840 0.183 0.000 0.824 439 L CB -0.611 41.539 42.059 0.153 0.000 1.202 439 L HN 0.744 nan 8.230 nan 0.000 0.433 440 H N 2.315 121.354 119.070 -0.051 0.000 2.428 440 H HA 0.156 4.712 4.556 -0.000 0.000 0.296 440 H C -0.402 174.588 175.328 -0.563 0.000 1.062 440 H CA 1.253 57.160 56.048 -0.235 0.000 1.350 440 H CB 0.265 29.981 29.762 -0.077 0.000 1.403 440 H HN 0.450 nan 8.280 nan 0.000 0.533 441 F N -0.016 119.949 119.950 0.025 0.000 2.601 441 F HA 0.482 5.009 4.527 -0.000 0.000 0.309 441 F C -0.671 174.939 175.800 -0.317 0.000 1.089 441 F CA -0.707 57.219 58.000 -0.124 0.000 0.940 441 F CB 2.329 41.244 39.000 -0.142 0.000 1.273 441 F HN -0.250 nan 8.300 nan 0.000 0.450 442 L N 1.716 122.818 121.223 -0.202 0.000 2.455 442 L HA 0.903 5.243 4.340 0.000 0.000 0.264 442 L C -0.445 176.202 176.870 -0.373 0.000 0.968 442 L CA -0.619 53.971 54.840 -0.417 0.000 0.827 442 L CB 2.324 44.148 42.059 -0.392 0.000 1.317 442 L HN 0.821 nan 8.230 nan 0.000 0.407 443 G N 1.661 110.065 108.800 -0.660 0.000 2.623 443 G HA2 0.579 4.539 3.960 0.000 0.000 0.290 443 G HA3 0.579 4.539 3.960 0.000 0.000 0.290 443 G C -2.237 172.616 174.900 -0.078 0.000 1.437 443 G CA -0.680 44.253 45.100 -0.280 0.000 0.798 443 G HN 0.515 nan 8.290 nan 0.000 0.488 444 R N -0.548 119.906 120.500 -0.077 0.000 2.778 444 R HA 0.740 5.080 4.340 0.000 0.000 0.277 444 R C -1.417 174.640 176.300 -0.406 0.000 0.977 444 R CA -0.586 55.326 56.100 -0.313 0.000 0.950 444 R CB 2.209 32.054 30.300 -0.759 0.000 1.165 444 R HN 0.352 nan 8.270 nan 0.000 0.474 445 V N 4.005 123.580 119.914 -0.565 0.000 2.380 445 V HA 0.382 4.502 4.120 0.000 0.000 0.286 445 V C 0.453 176.301 176.094 -0.410 0.000 1.015 445 V CA -0.258 61.703 62.300 -0.565 0.000 0.834 445 V CB 0.918 32.203 31.823 -0.896 0.000 1.009 445 V HN 1.051 nan 8.190 nan 0.000 0.428 446 A N 4.568 127.200 122.820 -0.313 0.000 1.871 446 A HA 0.299 4.619 4.320 0.000 0.000 0.211 446 A C 0.765 178.263 177.584 -0.143 0.000 1.207 446 A CA 1.026 52.941 52.037 -0.204 0.000 0.620 446 A CB 0.084 18.968 19.000 -0.193 0.000 0.860 446 A HN 0.872 nan 8.150 nan 0.000 0.450 447 N N -0.833 117.770 118.700 -0.162 0.000 2.555 447 N HA 0.371 5.111 4.740 0.000 0.000 0.265 447 N C -3.772 171.642 175.510 -0.160 0.000 1.135 447 N CA -1.316 51.645 53.050 -0.149 0.000 0.925 447 N CB 0.290 38.726 38.487 -0.085 0.000 1.662 447 N HN -0.155 nan 8.380 nan 0.000 0.489 448 P HA 0.454 nan 4.420 nan 0.000 0.276 448 P C -0.732 176.514 177.300 -0.091 0.000 1.235 448 P CA -0.262 62.751 63.100 -0.146 0.000 0.772 448 P CB 0.692 32.294 31.700 -0.164 0.000 0.871 449 L N 0.000 121.182 121.223 -0.069 0.000 2.949 449 L HA 0.000 4.340 4.340 0.000 0.000 0.249 449 L CA 0.000 54.817 54.840 -0.038 0.000 0.813 449 L CB 0.000 42.039 42.059 -0.034 0.000 0.961 449 L HN 0.000 nan 8.230 nan 0.000 0.502