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 3dlh_1_B DATA FIRST_RESID 1 DATA SEQUENCE MNHLGKTEVF LNRFALRPLN PEELRPWRLE VVLDPPPGRE EVYPLLAQVA DATA SEQUENCE RRAGGVTVRM GDGLASWSPP EVLVLEGTLA RMGQTYAYRL YPKGRRPLDP DATA SEQUENCE KDPGERSVLS ALARRLLQER LRRLEGVWVE GLAVYRREHA RGPGWRVLGG DATA SEQUENCE AVLDLWVSDS GAFLLEVDPA YRILCEMSLE AWLAQGHPLP KRVRNAYDRR DATA SEQUENCE TWELLRLGEE DPKELPLPGG LSLLDYHASK GRLQGREGGR VAWVADPKDP DATA SEQUENCE RKPIPHLTGL LVPVLTLEDL HXXXXXLALS LPWEERRRRT REIASWIGRR DATA SEQUENCE LGLGTPEAVR AQAYRLSIPK LMGRRAVSKP ADALRVGFYR AQETALALLR DATA SEQUENCE LDGAQGWPEF LRRALLRAFG XXGASLRLHT LHAHPSQGLA FREALRKAKE DATA SEQUENCE EGVQAVLVLT PPMAWEDRNR LKALLLREGL PSQILNVPLR EEERHRWENA DATA SEQUENCE LLGLLAKAGL QVVALSGAYP AELAVGFDAG GRESFRFGGA ACAVGXXGGH DATA SEQUENCE LLWTLPXXXX XXRIPQEVVW DLLEETLWAF RRKAGRLPSR VLLLRDGRVP DATA SEQUENCE QDEFALALEA LAREGIAYDL VSVRKSGGGR VYPVQGRLAD GLYVPLEDKT DATA SEQUENCE FLLLTVHXXX XGTPRPLKLV HEAGDTPLEA LAHQIFHLTR LYPASGFAFP DATA SEQUENCE RLPAPLHLAD RLVKEVGRLG IRHLKEVDRE KLFFV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.273 176.300 -0.044 0.000 1.140 1 M CA 0.000 55.276 55.300 -0.040 0.000 0.988 1 M CB 0.000 32.575 32.600 -0.041 0.000 1.302 2 N N 0.404 119.059 118.700 -0.075 0.000 2.275 2 N HA 0.460 5.198 4.740 -0.004 0.000 0.236 2 N C 0.221 175.708 175.510 -0.037 0.000 1.154 2 N CA 0.431 53.427 53.050 -0.090 0.000 0.866 2 N CB -0.259 38.118 38.487 -0.183 0.000 1.093 2 N HN 0.795 nan 8.380 nan 0.000 0.515 3 H N -1.302 117.692 119.070 -0.127 0.000 1.452 3 H HA -0.227 4.327 4.556 -0.004 0.000 0.090 3 H C 0.113 175.374 175.328 -0.112 0.000 2.539 3 H CA 1.294 57.285 56.048 -0.096 0.000 1.901 3 H CB -1.215 28.508 29.762 -0.064 0.000 2.257 3 H HN 1.136 nan 8.280 nan 0.000 0.961 4 L N -4.051 117.046 121.223 -0.210 0.000 2.834 4 L HA 0.719 5.056 4.340 -0.004 0.000 0.277 4 L C -0.043 176.794 176.870 -0.055 0.000 0.944 4 L CA -0.682 54.030 54.840 -0.213 0.000 1.065 4 L CB 0.952 42.946 42.059 -0.108 0.000 1.623 4 L HN 1.649 nan 8.230 nan 0.000 0.347 5 G N 0.132 109.022 108.800 0.150 0.000 4.180 5 G HA2 0.467 4.424 3.960 -0.004 0.000 0.234 5 G HA3 0.467 4.424 3.960 -0.004 0.000 0.234 5 G C -0.384 174.600 174.900 0.140 0.000 3.778 5 G CA 0.135 45.308 45.100 0.122 0.000 0.598 5 G HN 0.778 nan 8.290 nan 0.000 0.220 6 K N 0.057 120.558 120.400 0.169 0.000 2.527 6 K HA 0.652 4.969 4.320 -0.004 0.000 0.278 6 K C 0.417 176.956 176.600 -0.102 0.000 0.981 6 K CA 1.036 57.309 56.287 -0.025 0.000 1.009 6 K CB 0.369 32.881 32.500 0.020 0.000 0.895 6 K HN 0.703 nan 8.250 nan 0.000 0.493 7 T N 1.069 115.494 114.554 -0.215 0.000 2.769 7 T HA 0.443 4.791 4.350 -0.004 0.000 0.306 7 T C -1.287 173.269 174.700 -0.240 0.000 1.400 7 T CA -0.700 61.293 62.100 -0.178 0.000 1.007 7 T CB 1.542 70.321 68.868 -0.148 0.000 1.392 7 T HN 0.671 nan 8.240 nan 0.000 0.500 8 E N 0.503 120.571 120.200 -0.220 0.000 2.212 8 E HA 0.744 5.092 4.350 -0.004 0.000 0.268 8 E C -1.535 174.882 176.600 -0.306 0.000 0.902 8 E CA -0.677 55.562 56.400 -0.269 0.000 0.779 8 E CB 2.266 31.808 29.700 -0.263 0.000 1.172 8 E HN 0.290 nan 8.360 nan 0.000 0.409 9 V N 3.873 123.591 119.914 -0.326 0.000 3.102 9 V HA 0.508 4.625 4.120 -0.004 0.000 0.312 9 V C -1.389 174.508 176.094 -0.328 0.000 1.135 9 V CA -0.622 61.497 62.300 -0.301 0.000 1.022 9 V CB 1.756 33.455 31.823 -0.207 0.000 1.056 9 V HN 0.608 nan 8.190 nan 0.000 0.436 10 F N 3.774 123.702 119.950 -0.037 0.000 2.404 10 F HA 0.566 5.091 4.527 -0.004 0.000 0.339 10 F C 0.242 176.005 175.800 -0.062 0.000 1.105 10 F CA -0.436 57.551 58.000 -0.022 0.000 1.087 10 F CB 1.416 40.463 39.000 0.078 0.000 1.143 10 F HN 0.187 nan 8.300 nan 0.000 0.491 11 L N 2.138 123.436 121.223 0.124 0.000 2.352 11 L HA 0.292 4.630 4.340 -0.004 0.000 0.269 11 L C 0.908 177.746 176.870 -0.053 0.000 1.034 11 L CA -0.807 54.028 54.840 -0.008 0.000 0.806 11 L CB 1.274 43.317 42.059 -0.027 0.000 1.244 11 L HN 0.542 nan 8.230 nan 0.000 0.447 12 N N 0.787 119.474 118.700 -0.021 0.000 2.724 12 N HA -0.068 4.670 4.740 -0.004 0.000 0.198 12 N C -0.232 175.293 175.510 0.026 0.000 1.301 12 N CA 0.606 53.703 53.050 0.078 0.000 0.942 12 N CB 0.000 38.532 38.487 0.074 0.000 1.033 12 N HN 0.395 nan 8.380 nan 0.000 0.447 13 R N -0.816 119.564 120.500 -0.199 0.000 2.787 13 R HA 0.482 4.819 4.340 -0.004 0.000 0.271 13 R C -1.093 174.843 176.300 -0.608 0.000 0.993 13 R CA -0.616 55.359 56.100 -0.208 0.000 0.993 13 R CB 1.171 31.410 30.300 -0.102 0.000 1.155 13 R HN -0.054 nan 8.270 nan 0.000 0.486 14 F N -0.024 119.876 119.950 -0.085 0.000 2.574 14 F HA 0.461 4.986 4.527 -0.004 0.000 0.313 14 F C -0.241 175.500 175.800 -0.098 0.000 1.130 14 F CA -1.012 56.946 58.000 -0.069 0.000 0.936 14 F CB 1.981 40.942 39.000 -0.065 0.000 1.219 14 F HN 0.552 nan 8.300 nan 0.000 0.445 15 A N 4.470 127.342 122.820 0.087 0.000 2.320 15 A HA 0.803 5.121 4.320 -0.004 0.000 0.287 15 A C -0.543 177.083 177.584 0.069 0.000 1.181 15 A CA -0.298 51.763 52.037 0.040 0.000 0.831 15 A CB 0.315 19.330 19.000 0.025 0.000 1.102 15 A HN 0.808 nan 8.150 nan 0.000 0.513 16 L N 1.516 122.783 121.223 0.073 0.000 2.491 16 L HA 0.568 4.905 4.340 -0.004 0.000 0.264 16 L C 1.105 178.037 176.870 0.104 0.000 1.053 16 L CA -1.311 53.577 54.840 0.081 0.000 0.858 16 L CB 0.635 42.738 42.059 0.073 0.000 1.519 16 L HN 0.965 nan 8.230 nan 0.000 0.508 17 R N 0.024 120.588 120.500 0.107 0.000 2.873 17 R HA 0.124 4.462 4.340 -0.004 0.000 0.267 17 R C -2.590 173.763 176.300 0.089 0.000 1.009 17 R CA -0.860 55.293 56.100 0.089 0.000 1.152 17 R CB -0.858 29.489 30.300 0.078 0.000 1.047 17 R HN 0.165 nan 8.270 nan 0.000 0.470 18 P HA 0.093 nan 4.420 nan 0.000 0.277 18 P C -0.901 176.322 177.300 -0.129 0.000 1.240 18 P CA -0.554 62.503 63.100 -0.073 0.000 0.798 18 P CB 0.531 32.200 31.700 -0.052 0.000 0.979 19 L N 2.938 123.991 121.223 -0.283 0.000 2.462 19 L HA 0.111 4.448 4.340 -0.004 0.000 0.272 19 L C 1.122 177.904 176.870 -0.147 0.000 1.166 19 L CA 0.432 55.084 54.840 -0.313 0.000 0.880 19 L CB -0.849 40.986 42.059 -0.374 0.000 1.142 19 L HN 0.435 nan 8.230 nan 0.000 0.473 20 N N 5.379 124.014 118.700 -0.109 0.000 2.354 20 N HA 0.209 4.947 4.740 -0.004 0.000 0.246 20 N C -1.910 173.541 175.510 -0.099 0.000 1.285 20 N CA -1.285 51.711 53.050 -0.089 0.000 0.925 20 N CB -0.189 38.249 38.487 -0.082 0.000 1.174 20 N HN 0.336 nan 8.380 nan 0.000 0.478 21 P HA -0.182 nan 4.420 nan 0.000 0.218 21 P C 0.218 177.454 177.300 -0.106 0.000 1.146 21 P CA 1.489 64.540 63.100 -0.081 0.000 0.813 21 P CB 0.196 31.855 31.700 -0.068 0.000 0.778 22 E N -0.085 120.032 120.200 -0.137 0.000 2.358 22 E HA -0.082 4.265 4.350 -0.004 0.000 0.195 22 E C 1.885 178.346 176.600 -0.232 0.000 1.010 22 E CA 0.756 57.040 56.400 -0.192 0.000 0.856 22 E CB -0.404 29.178 29.700 -0.196 0.000 0.795 22 E HN 0.481 nan 8.360 nan 0.000 0.504 23 E N -0.266 119.811 120.200 -0.205 0.000 2.276 23 E HA 0.066 4.413 4.350 -0.004 0.000 0.193 23 E C 1.552 178.233 176.600 0.135 0.000 0.983 23 E CA 0.170 56.454 56.400 -0.194 0.000 0.861 23 E CB 0.164 29.680 29.700 -0.307 0.000 0.817 23 E HN 0.211 nan 8.360 nan 0.000 0.485 24 L N 0.608 121.845 121.223 0.023 0.000 2.313 24 L HA 0.011 4.348 4.340 -0.004 0.000 0.214 24 L C 0.850 177.739 176.870 0.032 0.000 1.119 24 L CA 0.646 55.511 54.840 0.042 0.000 0.809 24 L CB 0.001 42.051 42.059 -0.014 0.000 0.933 24 L HN -0.093 nan 8.230 nan 0.000 0.449 25 R N 1.186 121.676 120.500 -0.017 0.000 2.575 25 R HA 0.291 4.629 4.340 -0.004 0.000 0.281 25 R C -2.453 173.775 176.300 -0.120 0.000 1.272 25 R CA -1.632 54.430 56.100 -0.063 0.000 1.417 25 R CB 0.398 30.634 30.300 -0.107 0.000 1.121 25 R HN -0.005 nan 8.270 nan 0.000 0.583 26 P HA 0.079 nan 4.420 nan 0.000 0.276 26 P C -0.648 176.598 177.300 -0.089 0.000 1.261 26 P CA -0.555 62.543 63.100 -0.004 0.000 0.800 26 P CB 0.667 32.464 31.700 0.161 0.000 1.066 27 W N 0.739 122.119 121.300 0.133 0.000 2.190 27 W HA 0.364 5.021 4.660 -0.004 0.000 0.330 27 W C 1.273 177.824 176.519 0.054 0.000 1.299 27 W CA -0.195 57.199 57.345 0.081 0.000 1.215 27 W CB -0.020 29.486 29.460 0.076 0.000 1.147 27 W HN 0.330 nan 8.180 nan 0.000 0.563 28 R N 2.465 123.121 120.500 0.260 0.000 2.460 28 R HA 0.714 5.052 4.340 -0.004 0.000 0.303 28 R C -1.690 174.705 176.300 0.158 0.000 0.968 28 R CA -0.643 55.550 56.100 0.155 0.000 0.889 28 R CB 0.642 31.004 30.300 0.102 0.000 1.123 28 R HN 0.584 nan 8.270 nan 0.000 0.455 29 L N 2.731 124.025 121.223 0.118 0.000 2.385 29 L HA 0.420 4.758 4.340 -0.004 0.000 0.273 29 L C -0.526 176.412 176.870 0.112 0.000 0.990 29 L CA -0.639 54.272 54.840 0.118 0.000 0.821 29 L CB 2.057 44.173 42.059 0.094 0.000 1.279 29 L HN 0.700 nan 8.230 nan 0.000 0.412 30 E N 1.002 121.296 120.200 0.157 0.000 2.331 30 E HA 0.576 4.923 4.350 -0.004 0.000 0.272 30 E C -1.169 175.554 176.600 0.206 0.000 1.036 30 E CA -0.280 56.211 56.400 0.152 0.000 0.864 30 E CB 1.248 31.032 29.700 0.140 0.000 1.035 30 E HN 0.322 nan 8.360 nan 0.000 0.408 31 V N 3.770 123.774 119.914 0.151 0.000 2.581 31 V HA 0.476 4.594 4.120 -0.004 0.000 0.303 31 V C -0.618 175.580 176.094 0.174 0.000 1.041 31 V CA -0.885 61.519 62.300 0.172 0.000 0.907 31 V CB 1.917 33.800 31.823 0.100 0.000 0.994 31 V HN 0.433 nan 8.190 nan 0.000 0.442 32 V N 5.434 125.482 119.914 0.224 0.000 2.483 32 V HA 0.507 4.624 4.120 -0.004 0.000 0.297 32 V C -0.550 175.653 176.094 0.182 0.000 1.027 32 V CA -0.316 62.096 62.300 0.187 0.000 0.855 32 V CB 1.681 33.650 31.823 0.244 0.000 0.995 32 V HN 0.650 nan 8.190 nan 0.000 0.424 33 L N 3.985 125.301 121.223 0.154 0.000 2.329 33 L HA 0.689 5.026 4.340 -0.004 0.000 0.279 33 L C -0.973 176.014 176.870 0.195 0.000 1.014 33 L CA -0.417 54.537 54.840 0.190 0.000 0.814 33 L CB 2.132 44.289 42.059 0.163 0.000 1.257 33 L HN 0.552 nan 8.230 nan 0.000 0.424 34 D N 4.045 124.576 120.400 0.218 0.000 2.620 34 D HA 0.384 5.022 4.640 -0.004 0.000 0.252 34 D C -2.605 173.763 176.300 0.113 0.000 1.207 34 D CA -1.454 52.632 54.000 0.143 0.000 0.884 34 D CB 2.348 43.201 40.800 0.088 0.000 1.262 34 D HN 0.070 nan 8.370 nan 0.000 0.552 35 P HA 0.328 nan 4.420 nan 0.000 0.277 35 P C -2.615 174.780 177.300 0.158 0.000 1.240 35 P CA -1.595 61.536 63.100 0.051 0.000 0.798 35 P CB 0.256 31.936 31.700 -0.034 0.000 0.979 36 P HA 0.075 nan 4.420 nan 0.000 0.260 36 P C -2.075 175.320 177.300 0.159 0.000 1.172 36 P CA 0.015 63.190 63.100 0.126 0.000 0.760 36 P CB -1.042 30.703 31.700 0.075 0.000 0.773 37 P HA 0.276 nan 4.420 nan 0.000 0.275 37 P C -0.018 177.340 177.300 0.097 0.000 1.270 37 P CA -0.224 62.977 63.100 0.169 0.000 0.791 37 P CB 0.671 32.422 31.700 0.086 0.000 1.089 38 G N -0.430 108.417 108.800 0.079 0.000 2.487 38 G HA2 0.282 4.240 3.960 -0.004 0.000 0.314 38 G HA3 0.282 4.240 3.960 -0.004 0.000 0.314 38 G C 0.611 175.518 174.900 0.012 0.000 1.267 38 G CA -0.420 44.706 45.100 0.042 0.000 0.937 38 G HN 0.515 nan 8.290 nan 0.000 0.481 39 R N 1.625 122.121 120.500 -0.007 0.000 2.365 39 R HA -0.341 3.997 4.340 -0.004 0.000 0.230 39 R C 1.888 178.138 176.300 -0.082 0.000 1.047 39 R CA 2.956 59.027 56.100 -0.047 0.000 0.825 39 R CB -0.255 30.011 30.300 -0.056 0.000 0.972 39 R HN 0.653 nan 8.270 nan 0.000 0.396 40 E N 0.240 120.401 120.200 -0.064 0.000 2.405 40 E HA -0.093 4.255 4.350 -0.004 0.000 0.194 40 E C 0.585 177.161 176.600 -0.040 0.000 1.149 40 E CA 1.257 57.614 56.400 -0.072 0.000 0.933 40 E CB -0.016 29.654 29.700 -0.051 0.000 1.028 40 E HN 0.833 nan 8.360 nan 0.000 0.487 41 E N -1.378 118.809 120.200 -0.023 0.000 2.679 41 E HA 0.079 4.427 4.350 -0.004 0.000 0.221 41 E C 0.924 177.517 176.600 -0.011 0.000 0.928 41 E CA -0.032 56.364 56.400 -0.006 0.000 1.296 41 E CB -0.198 29.515 29.700 0.021 0.000 1.235 41 E HN 0.055 nan 8.360 nan 0.000 0.622 42 V N 1.055 120.977 119.914 0.013 0.000 2.216 42 V HA -0.273 3.845 4.120 -0.004 0.000 0.243 42 V C 1.983 178.166 176.094 0.148 0.000 1.044 42 V CA 2.015 64.352 62.300 0.061 0.000 0.995 42 V CB -0.839 31.049 31.823 0.109 0.000 0.633 42 V HN 0.221 nan 8.190 nan 0.000 0.446 43 Y N 0.542 120.813 120.300 -0.049 0.000 2.030 43 Y HA -0.198 4.349 4.550 -0.004 0.000 0.272 43 Y C 0.396 176.259 175.900 -0.062 0.000 1.185 43 Y CA 1.946 60.016 58.100 -0.050 0.000 1.120 43 Y CB -2.534 35.902 38.460 -0.039 0.000 0.955 43 Y HN 0.352 nan 8.280 nan 0.000 0.495 44 P HA -0.151 nan 4.420 nan 0.000 0.216 44 P C 1.918 179.197 177.300 -0.035 0.000 1.150 44 P CA 1.488 64.603 63.100 0.026 0.000 0.837 44 P CB -0.126 31.585 31.700 0.018 0.000 0.786 45 L N -1.499 119.684 121.223 -0.067 0.000 2.056 45 L HA -0.159 4.179 4.340 -0.004 0.000 0.207 45 L C 2.418 179.209 176.870 -0.131 0.000 1.078 45 L CA 1.308 56.057 54.840 -0.152 0.000 0.749 45 L CB -0.885 41.015 42.059 -0.265 0.000 0.901 45 L HN -0.042 nan 8.230 nan 0.000 0.433 46 L N -0.616 120.552 121.223 -0.091 0.000 2.046 46 L HA -0.218 4.119 4.340 -0.004 0.000 0.208 46 L C 2.858 179.655 176.870 -0.121 0.000 1.077 46 L CA 1.204 55.982 54.840 -0.102 0.000 0.747 46 L CB -0.784 41.219 42.059 -0.093 0.000 0.896 46 L HN 0.255 nan 8.230 nan 0.000 0.432 47 A N -0.520 122.238 122.820 -0.103 0.000 1.902 47 A HA -0.280 4.038 4.320 -0.004 0.000 0.217 47 A C 2.287 179.811 177.584 -0.101 0.000 1.181 47 A CA 1.835 53.813 52.037 -0.099 0.000 0.623 47 A CB -0.587 18.369 19.000 -0.074 0.000 0.818 47 A HN 0.493 nan 8.150 nan 0.000 0.443 48 Q N -0.145 119.595 119.800 -0.099 0.000 2.084 48 Q HA -0.131 4.207 4.340 -0.004 0.000 0.202 48 Q C 1.984 177.892 176.000 -0.152 0.000 0.978 48 Q CA 1.953 57.696 55.803 -0.099 0.000 0.844 48 Q CB -0.249 28.439 28.738 -0.083 0.000 0.898 48 Q HN 0.420 nan 8.270 nan 0.000 0.426 49 V N 1.294 121.083 119.914 -0.209 0.000 2.220 49 V HA -0.333 3.784 4.120 -0.004 0.000 0.246 49 V C 2.476 178.390 176.094 -0.299 0.000 1.049 49 V CA 2.018 64.102 62.300 -0.361 0.000 1.003 49 V CB -1.392 30.216 31.823 -0.359 0.000 0.634 49 V HN 0.563 nan 8.190 nan 0.000 0.444 50 A N 0.223 122.925 122.820 -0.197 0.000 1.927 50 A HA -0.333 3.984 4.320 -0.004 0.000 0.220 50 A C 2.417 179.931 177.584 -0.116 0.000 1.185 50 A CA 2.530 54.484 52.037 -0.140 0.000 0.639 50 A CB -0.695 18.239 19.000 -0.110 0.000 0.820 50 A HN 0.563 nan 8.150 nan 0.000 0.451 51 R N -1.631 118.804 120.500 -0.110 0.000 2.276 51 R HA 0.024 4.362 4.340 -0.004 0.000 0.203 51 R C 1.371 177.625 176.300 -0.076 0.000 1.017 51 R CA 0.473 56.527 56.100 -0.077 0.000 1.010 51 R CB -0.080 30.182 30.300 -0.064 0.000 0.900 51 R HN 0.213 nan 8.270 nan 0.000 0.469 52 R N 0.379 120.805 120.500 -0.123 0.000 2.388 52 R HA 0.308 4.646 4.340 -0.004 0.000 0.247 52 R C -0.730 175.518 176.300 -0.087 0.000 0.931 52 R CA 0.412 56.449 56.100 -0.105 0.000 1.082 52 R CB 0.998 31.211 30.300 -0.145 0.000 1.135 52 R HN 0.260 nan 8.270 nan 0.000 0.525 53 A N -1.721 121.046 122.820 -0.088 0.000 2.609 53 A HA 0.623 4.941 4.320 -0.004 0.000 0.291 53 A C -0.106 177.465 177.584 -0.021 0.000 1.096 53 A CA -0.163 51.855 52.037 -0.031 0.000 0.684 53 A CB 0.654 19.634 19.000 -0.033 0.000 1.282 53 A HN 0.234 nan 8.150 nan 0.000 0.412 54 G N -0.673 108.126 108.800 -0.001 0.000 2.719 54 G HA2 0.214 4.172 3.960 -0.004 0.000 0.454 54 G HA3 0.214 4.172 3.960 -0.004 0.000 0.454 54 G C 0.938 175.843 174.900 0.010 0.000 1.353 54 G CA 0.732 45.833 45.100 0.003 0.000 0.923 54 G HN 2.091 nan 8.290 nan 0.000 0.554 55 G N -1.822 106.996 108.800 0.030 0.000 2.571 55 G HA2 0.377 4.335 3.960 -0.004 0.000 0.225 55 G HA3 0.377 4.335 3.960 -0.004 0.000 0.225 55 G C 0.722 175.653 174.900 0.052 0.000 1.731 55 G CA 0.644 45.767 45.100 0.038 0.000 0.858 55 G HN 1.451 nan 8.290 nan 0.000 0.611 56 V N 2.327 122.303 119.914 0.103 0.000 2.157 56 V HA 0.411 4.529 4.120 -0.004 0.000 0.241 56 V C 0.372 176.519 176.094 0.087 0.000 1.349 56 V CA 0.539 62.915 62.300 0.127 0.000 1.319 56 V CB -0.789 31.204 31.823 0.282 0.000 1.421 56 V HN 0.504 nan 8.190 nan 0.000 0.501 57 T N 2.779 117.342 114.554 0.015 0.000 2.971 57 T HA 0.737 5.084 4.350 -0.004 0.000 0.304 57 T C -0.896 173.765 174.700 -0.065 0.000 1.038 57 T CA -0.356 61.736 62.100 -0.015 0.000 1.007 57 T CB 1.813 70.685 68.868 0.006 0.000 1.055 57 T HN 0.145 nan 8.240 nan 0.000 0.451 58 V N 3.398 123.254 119.914 -0.095 0.000 3.141 58 V HA 0.666 4.784 4.120 -0.004 0.000 0.312 58 V C 0.218 176.243 176.094 -0.115 0.000 1.157 58 V CA -1.521 60.711 62.300 -0.113 0.000 1.041 58 V CB 1.981 33.718 31.823 -0.144 0.000 1.071 58 V HN 1.027 nan 8.190 nan 0.000 0.441 59 R N 1.559 121.980 120.500 -0.131 0.000 2.490 59 R HA 0.534 4.872 4.340 -0.004 0.000 0.280 59 R C -0.545 175.654 176.300 -0.168 0.000 1.077 59 R CA -0.301 55.706 56.100 -0.154 0.000 1.065 59 R CB 0.592 30.771 30.300 -0.201 0.000 1.003 59 R HN 0.826 nan 8.270 nan 0.000 0.470 60 M N 5.833 125.341 119.600 -0.154 0.000 2.236 60 M HA 0.198 4.676 4.480 -0.004 0.000 0.228 60 M C 0.170 176.377 176.300 -0.156 0.000 0.906 60 M CA 0.454 55.671 55.300 -0.138 0.000 0.761 60 M CB 0.856 33.405 32.600 -0.085 0.000 1.439 60 M HN 1.010 nan 8.290 nan 0.000 0.394 61 G N 3.075 111.719 108.800 -0.261 0.000 2.595 61 G HA2 -0.428 3.530 3.960 -0.004 0.000 0.297 61 G HA3 -0.428 3.530 3.960 -0.004 0.000 0.297 61 G C 0.118 174.864 174.900 -0.255 0.000 1.181 61 G CA 0.875 45.807 45.100 -0.281 0.000 0.963 61 G HN 0.851 nan 8.290 nan 0.000 0.541 62 D N 1.219 121.577 120.400 -0.070 0.000 2.347 62 D HA 0.452 5.090 4.640 -0.004 0.000 0.213 62 D C 1.284 177.576 176.300 -0.013 0.000 0.985 62 D CA 1.700 55.701 54.000 0.002 0.000 0.879 62 D CB 0.102 40.929 40.800 0.045 0.000 0.919 62 D HN 0.967 nan 8.370 nan 0.000 0.526 63 G N -0.604 108.172 108.800 -0.039 0.000 3.247 63 G HA2 0.674 4.632 3.960 -0.004 0.000 0.199 63 G HA3 0.674 4.632 3.960 -0.004 0.000 0.199 63 G C -1.377 173.496 174.900 -0.044 0.000 1.172 63 G CA -0.922 44.169 45.100 -0.016 0.000 0.844 63 G HN 0.105 nan 8.290 nan 0.000 0.619 64 L N 0.002 121.217 121.223 -0.014 0.000 2.370 64 L HA 0.747 5.085 4.340 -0.004 0.000 0.266 64 L C -0.263 176.608 176.870 0.001 0.000 1.002 64 L CA -1.136 53.688 54.840 -0.027 0.000 0.818 64 L CB 2.342 44.390 42.059 -0.019 0.000 1.325 64 L HN 0.637 nan 8.230 nan 0.000 0.418 65 A N 1.453 124.259 122.820 -0.023 0.000 2.318 65 A HA 0.739 5.057 4.320 -0.004 0.000 0.317 65 A C -0.687 176.906 177.584 0.015 0.000 1.159 65 A CA -0.389 51.645 52.037 -0.005 0.000 0.799 65 A CB 1.714 20.667 19.000 -0.079 0.000 1.194 65 A HN 0.532 nan 8.150 nan 0.000 0.479 66 S N 0.984 116.776 115.700 0.154 0.000 2.542 66 S HA 0.588 5.056 4.470 -0.004 0.000 0.293 66 S C -0.696 174.213 174.600 0.516 0.000 1.089 66 S CA -0.316 58.038 58.200 0.258 0.000 0.961 66 S CB 0.653 64.014 63.200 0.270 0.000 1.062 66 S HN 0.705 nan 8.310 nan 0.000 0.483 67 W N 2.862 124.322 121.300 0.266 0.000 3.220 67 W HA 0.337 4.994 4.660 -0.004 0.000 0.328 67 W C 0.572 177.326 176.519 0.391 0.000 1.205 67 W CA -0.489 56.996 57.345 0.234 0.000 1.773 67 W CB -0.418 29.118 29.460 0.126 0.000 1.086 67 W HN 0.704 nan 8.180 nan 0.000 0.622 68 S N 1.197 117.263 115.700 0.610 0.000 2.503 68 S HA 0.577 5.045 4.470 -0.004 0.000 0.301 68 S C -2.476 172.130 174.600 0.010 0.000 1.087 68 S CA -1.805 56.621 58.200 0.376 0.000 1.042 68 S CB 2.464 65.769 63.200 0.176 0.000 1.043 68 S HN -0.179 nan 8.310 nan 0.000 0.489 69 P HA 0.170 nan 4.420 nan 0.000 0.267 69 P C -2.149 174.746 177.300 -0.675 0.000 1.200 69 P CA -0.919 61.580 63.100 -1.002 0.000 0.772 69 P CB -0.217 31.196 31.700 -0.477 0.000 0.855 70 P HA -0.212 nan 4.420 nan 0.000 0.217 70 P C 1.387 178.543 177.300 -0.240 0.000 1.151 70 P CA 1.715 64.584 63.100 -0.385 0.000 0.849 70 P CB -0.130 31.366 31.700 -0.339 0.000 0.787 71 E N -0.683 119.374 120.200 -0.238 0.000 2.160 71 E HA -0.103 4.244 4.350 -0.004 0.000 0.195 71 E C 2.013 178.549 176.600 -0.107 0.000 0.991 71 E CA 1.029 57.342 56.400 -0.145 0.000 0.810 71 E CB -0.978 28.646 29.700 -0.127 0.000 0.742 71 E HN 0.208 nan 8.360 nan 0.000 0.466 72 V N 1.440 121.283 119.914 -0.118 0.000 2.346 72 V HA -0.112 4.006 4.120 -0.004 0.000 0.244 72 V C 1.611 177.675 176.094 -0.050 0.000 1.037 72 V CA 0.684 62.944 62.300 -0.066 0.000 1.029 72 V CB -0.486 31.308 31.823 -0.048 0.000 0.663 72 V HN 0.084 nan 8.190 nan 0.000 0.454 73 L N 0.157 121.339 121.223 -0.067 0.000 2.482 73 L HA 0.105 4.443 4.340 -0.004 0.000 0.273 73 L C 0.126 176.988 176.870 -0.014 0.000 1.228 73 L CA 0.061 54.881 54.840 -0.034 0.000 0.827 73 L CB 0.070 42.102 42.059 -0.045 0.000 1.099 73 L HN -0.027 nan 8.230 nan 0.000 0.494 74 V N 3.290 123.225 119.914 0.035 0.000 2.154 74 V HA 0.081 4.198 4.120 -0.004 0.000 0.265 74 V C 1.361 177.528 176.094 0.121 0.000 1.293 74 V CA -0.210 62.129 62.300 0.065 0.000 1.205 74 V CB -0.329 31.560 31.823 0.111 0.000 1.306 74 V HN 0.682 nan 8.190 nan 0.000 0.479 75 L N 1.076 122.317 121.223 0.029 0.000 2.026 75 L HA -0.235 4.103 4.340 -0.004 0.000 0.231 75 L C 1.512 178.349 176.870 -0.054 0.000 1.095 75 L CA 1.962 56.798 54.840 -0.006 0.000 0.810 75 L CB -0.368 41.618 42.059 -0.121 0.000 0.909 75 L HN 0.807 nan 8.230 nan 0.000 0.444 76 E N -0.148 119.932 120.200 -0.200 0.000 2.283 76 E HA 0.603 4.950 4.350 -0.004 0.000 0.267 76 E C -0.073 176.142 176.600 -0.641 0.000 1.045 76 E CA -0.039 56.114 56.400 -0.410 0.000 0.884 76 E CB 1.605 31.151 29.700 -0.258 0.000 1.106 76 E HN 0.268 nan 8.360 nan 0.000 0.408 77 G N -0.169 108.046 108.800 -0.975 0.000 2.323 77 G HA2 0.493 4.451 3.960 -0.004 0.000 0.291 77 G HA3 0.493 4.451 3.960 -0.004 0.000 0.291 77 G C -1.081 173.526 174.900 -0.488 0.000 1.278 77 G CA -0.258 44.396 45.100 -0.743 0.000 0.860 77 G HN 0.722 nan 8.290 nan 0.000 0.504 78 T N -0.163 114.399 114.554 0.015 0.000 2.886 78 T HA 0.703 5.051 4.350 -0.004 0.000 0.330 78 T C -1.515 173.324 174.700 0.232 0.000 1.488 78 T CA -0.440 61.753 62.100 0.154 0.000 1.054 78 T CB 1.457 70.361 68.868 0.060 0.000 1.348 78 T HN 0.808 nan 8.240 nan 0.000 0.489 79 L N 1.174 122.536 121.223 0.231 0.000 2.731 79 L HA 0.664 5.002 4.340 -0.004 0.000 0.256 79 L C -0.897 176.096 176.870 0.205 0.000 0.947 79 L CA -0.882 54.066 54.840 0.179 0.000 0.914 79 L CB 1.817 43.964 42.059 0.145 0.000 1.470 79 L HN 0.875 nan 8.230 nan 0.000 0.421 80 A N 1.836 124.751 122.820 0.158 0.000 2.279 80 A HA 0.976 5.293 4.320 -0.004 0.000 0.303 80 A C -0.021 177.670 177.584 0.178 0.000 1.108 80 A CA 0.147 52.288 52.037 0.173 0.000 0.830 80 A CB 1.290 20.352 19.000 0.103 0.000 1.106 80 A HN 0.963 nan 8.150 nan 0.000 0.493 81 R N 1.201 121.832 120.500 0.219 0.000 3.090 81 R HA 0.595 4.933 4.340 -0.004 0.000 0.279 81 R C -0.305 176.108 176.300 0.189 0.000 1.462 81 R CA 0.230 56.435 56.100 0.175 0.000 1.044 81 R CB -0.067 30.318 30.300 0.141 0.000 1.365 81 R HN 2.107 nan 8.270 nan 0.000 0.399 82 M N 0.693 120.363 119.600 0.117 0.000 2.942 82 M HA -0.188 4.290 4.480 -0.004 0.000 0.230 82 M C 0.988 177.330 176.300 0.070 0.000 0.489 82 M CA 1.671 57.027 55.300 0.092 0.000 0.810 82 M CB -1.601 31.065 32.600 0.109 0.000 2.949 82 M HN 2.482 nan 8.290 nan 0.000 0.544 83 G N 0.622 109.459 108.800 0.062 0.000 2.353 83 G HA2 -0.317 3.641 3.960 -0.004 0.000 0.258 83 G HA3 -0.317 3.641 3.960 -0.004 0.000 0.258 83 G C -0.024 174.880 174.900 0.006 0.000 1.013 83 G CA 0.771 45.891 45.100 0.034 0.000 0.622 83 G HN 0.660 nan 8.290 nan 0.000 0.535 84 Q N 2.408 122.206 119.800 -0.002 0.000 2.344 84 Q HA 0.411 4.749 4.340 -0.004 0.000 0.253 84 Q C 0.425 176.326 176.000 -0.165 0.000 1.050 84 Q CA 0.457 56.174 55.803 -0.144 0.000 0.912 84 Q CB 0.617 29.212 28.738 -0.238 0.000 1.258 84 Q HN 0.575 nan 8.270 nan 0.000 0.443 85 T N 0.144 114.616 114.554 -0.137 0.000 2.884 85 T HA 0.358 4.706 4.350 -0.004 0.000 0.298 85 T C -0.444 174.178 174.700 -0.129 0.000 0.998 85 T CA -0.268 61.815 62.100 -0.027 0.000 1.124 85 T CB 0.403 69.272 68.868 0.002 0.000 0.931 85 T HN 0.284 nan 8.240 nan 0.000 0.531 86 Y N 0.321 120.658 120.300 0.062 0.000 2.524 86 Y HA 0.587 5.135 4.550 -0.004 0.000 0.344 86 Y C 0.230 176.183 175.900 0.088 0.000 1.012 86 Y CA -1.424 56.720 58.100 0.074 0.000 1.068 86 Y CB 1.990 40.503 38.460 0.088 0.000 1.249 86 Y HN 0.955 nan 8.280 nan 0.000 0.468 87 A N 3.095 126.059 122.820 0.240 0.000 2.273 87 A HA 0.523 4.841 4.320 -0.004 0.000 0.320 87 A C -1.006 176.674 177.584 0.161 0.000 1.358 87 A CA -0.607 51.506 52.037 0.128 0.000 0.910 87 A CB -0.768 18.265 19.000 0.055 0.000 1.159 87 A HN 0.712 nan 8.150 nan 0.000 0.526 88 Y N 1.302 121.656 120.300 0.090 0.000 2.344 88 Y HA 0.868 5.415 4.550 -0.004 0.000 0.330 88 Y C 0.115 176.045 175.900 0.051 0.000 1.330 88 Y CA -1.313 56.827 58.100 0.067 0.000 1.479 88 Y CB 0.697 39.178 38.460 0.036 0.000 1.428 88 Y HN 0.603 nan 8.280 nan 0.000 0.544 89 R N 1.270 121.898 120.500 0.213 0.000 3.262 89 R HA 0.366 4.704 4.340 -0.004 0.000 0.270 89 R C -2.607 173.772 176.300 0.131 0.000 1.147 89 R CA -0.413 55.703 56.100 0.028 0.000 1.189 89 R CB -0.106 30.215 30.300 0.035 0.000 1.271 89 R HN 0.933 nan 8.270 nan 0.000 0.447 90 L N 3.921 125.149 121.223 0.007 0.000 2.375 90 L HA 0.631 4.968 4.340 -0.004 0.000 0.268 90 L C -0.582 176.114 176.870 -0.290 0.000 1.058 90 L CA -0.987 53.863 54.840 0.016 0.000 0.803 90 L CB 1.168 43.263 42.059 0.061 0.000 1.212 90 L HN 0.589 nan 8.230 nan 0.000 0.451 91 Y N 0.852 121.181 120.300 0.048 0.000 2.445 91 Y HA 0.318 4.866 4.550 -0.004 0.000 0.332 91 Y C -2.293 173.631 175.900 0.040 0.000 1.037 91 Y CA -2.330 55.791 58.100 0.035 0.000 1.296 91 Y CB 1.171 39.651 38.460 0.034 0.000 1.099 91 Y HN 0.348 nan 8.280 nan 0.000 0.496 92 P HA -0.022 nan 4.420 nan 0.000 0.261 92 P C -0.172 177.215 177.300 0.146 0.000 1.183 92 P CA 0.166 63.327 63.100 0.101 0.000 0.761 92 P CB 0.576 32.293 31.700 0.028 0.000 0.785 93 K N 3.273 123.767 120.400 0.156 0.000 3.163 93 K HA 0.459 4.777 4.320 -0.004 0.000 0.186 93 K C 0.536 177.217 176.600 0.136 0.000 1.111 93 K CA -0.088 56.280 56.287 0.134 0.000 0.918 93 K CB -0.228 32.340 32.500 0.113 0.000 1.059 93 K HN 0.685 nan 8.250 nan 0.000 0.558 94 G N 1.536 110.436 108.800 0.167 0.000 2.645 94 G HA2 -0.302 3.655 3.960 -0.004 0.000 0.246 94 G HA3 -0.302 3.655 3.960 -0.004 0.000 0.246 94 G C -0.914 174.095 174.900 0.181 0.000 1.322 94 G CA -0.564 44.637 45.100 0.168 0.000 0.898 94 G HN 0.452 nan 8.290 nan 0.000 0.573 95 R N 0.037 120.590 120.500 0.089 0.000 2.494 95 R HA 0.739 5.077 4.340 -0.004 0.000 0.305 95 R C 0.367 176.671 176.300 0.006 0.000 0.959 95 R CA -0.014 56.093 56.100 0.011 0.000 0.864 95 R CB 1.513 31.743 30.300 -0.118 0.000 1.159 95 R HN 0.980 nan 8.270 nan 0.000 0.446 96 R N 3.512 124.016 120.500 0.007 0.000 2.310 96 R HA 0.383 4.721 4.340 -0.004 0.000 0.324 96 R C -2.612 173.683 176.300 -0.009 0.000 0.955 96 R CA -2.036 54.067 56.100 0.006 0.000 0.830 96 R CB 0.232 30.542 30.300 0.017 0.000 1.154 96 R HN 0.471 nan 8.270 nan 0.000 0.458 97 P HA 0.231 nan 4.420 nan 0.000 0.276 97 P C -1.020 176.275 177.300 -0.009 0.000 1.253 97 P CA -0.317 62.774 63.100 -0.015 0.000 0.766 97 P CB 1.077 32.766 31.700 -0.019 0.000 0.845 98 L N 3.798 125.019 121.223 -0.004 0.000 2.343 98 L HA 0.431 4.769 4.340 -0.004 0.000 0.275 98 L C 0.499 177.365 176.870 -0.008 0.000 1.056 98 L CA 0.087 54.924 54.840 -0.006 0.000 0.804 98 L CB 0.849 42.905 42.059 -0.005 0.000 1.203 98 L HN 0.303 nan 8.230 nan 0.000 0.440 99 D N 2.818 123.212 120.400 -0.010 0.000 2.414 99 D HA 0.387 5.024 4.640 -0.004 0.000 0.232 99 D C -1.976 174.318 176.300 -0.009 0.000 1.070 99 D CA -2.004 51.990 54.000 -0.011 0.000 0.839 99 D CB 1.966 42.760 40.800 -0.010 0.000 1.079 99 D HN 0.161 nan 8.370 nan 0.000 0.521 100 P HA -0.154 nan 4.420 nan 0.000 0.217 100 P C 0.685 177.986 177.300 0.001 0.000 1.148 100 P CA 1.263 64.361 63.100 -0.004 0.000 0.828 100 P CB 0.315 32.008 31.700 -0.011 0.000 0.783 101 K N -1.088 119.311 120.400 -0.002 0.000 2.288 101 K HA -0.063 4.254 4.320 -0.004 0.000 0.201 101 K C 0.622 177.221 176.600 -0.001 0.000 1.048 101 K CA 0.531 56.818 56.287 0.000 0.000 0.956 101 K CB -0.375 32.124 32.500 -0.002 0.000 0.746 101 K HN 0.187 nan 8.250 nan 0.000 0.461 102 D N 0.113 120.511 120.400 -0.004 0.000 2.280 102 D HA 0.083 4.720 4.640 -0.004 0.000 0.243 102 D C -2.007 174.288 176.300 -0.008 0.000 1.129 102 D CA -2.487 51.510 54.000 -0.006 0.000 0.848 102 D CB 1.509 42.304 40.800 -0.008 0.000 1.107 102 D HN -0.241 nan 8.370 nan 0.000 0.471 103 P HA -0.111 nan 4.420 nan 0.000 0.217 103 P C 1.220 178.508 177.300 -0.020 0.000 1.151 103 P CA 1.462 64.554 63.100 -0.013 0.000 0.849 103 P CB 0.186 31.878 31.700 -0.012 0.000 0.787 104 G N 0.138 108.927 108.800 -0.018 0.000 2.524 104 G HA2 -0.240 3.718 3.960 -0.004 0.000 0.215 104 G HA3 -0.240 3.718 3.960 -0.004 0.000 0.215 104 G C 1.397 176.278 174.900 -0.032 0.000 1.239 104 G CA 0.532 45.619 45.100 -0.023 0.000 0.798 104 G HN 0.259 nan 8.290 nan 0.000 0.557 105 E N -0.069 120.116 120.200 -0.027 0.000 2.331 105 E HA -0.118 4.229 4.350 -0.004 0.000 0.199 105 E C 2.458 179.037 176.600 -0.035 0.000 1.008 105 E CA 0.359 56.740 56.400 -0.031 0.000 0.843 105 E CB -0.007 29.680 29.700 -0.021 0.000 0.761 105 E HN 0.362 nan 8.360 nan 0.000 0.507 106 R N 0.442 120.926 120.500 -0.027 0.000 2.062 106 R HA -0.059 4.279 4.340 -0.004 0.000 0.226 106 R C 2.425 178.705 176.300 -0.033 0.000 1.125 106 R CA 1.291 57.379 56.100 -0.020 0.000 0.966 106 R CB 0.036 30.333 30.300 -0.006 0.000 0.861 106 R HN -0.027 nan 8.270 nan 0.000 0.433 107 S N 0.163 115.835 115.700 -0.047 0.000 2.392 107 S HA -0.165 4.303 4.470 -0.004 0.000 0.232 107 S C 1.916 176.467 174.600 -0.083 0.000 1.041 107 S CA 1.552 59.713 58.200 -0.064 0.000 1.026 107 S CB -0.273 62.886 63.200 -0.067 0.000 0.845 107 S HN 0.155 nan 8.310 nan 0.000 0.465 108 V N 1.938 121.796 119.914 -0.093 0.000 2.261 108 V HA -0.162 3.956 4.120 -0.004 0.000 0.246 108 V C 2.204 178.188 176.094 -0.182 0.000 1.047 108 V CA 1.581 63.802 62.300 -0.132 0.000 1.015 108 V CB -0.805 30.947 31.823 -0.119 0.000 0.642 108 V HN 0.415 nan 8.190 nan 0.000 0.446 109 L N -0.193 120.948 121.223 -0.138 0.000 2.046 109 L HA -0.172 4.166 4.340 -0.004 0.000 0.208 109 L C 2.696 179.491 176.870 -0.125 0.000 1.077 109 L CA 1.721 56.467 54.840 -0.156 0.000 0.747 109 L CB -0.674 41.370 42.059 -0.025 0.000 0.896 109 L HN 0.291 nan 8.230 nan 0.000 0.432 110 S N -0.214 115.471 115.700 -0.024 0.000 2.359 110 S HA -0.209 4.258 4.470 -0.004 0.000 0.224 110 S C 2.204 176.801 174.600 -0.004 0.000 1.035 110 S CA 1.300 59.541 58.200 0.068 0.000 1.018 110 S CB -0.343 62.901 63.200 0.074 0.000 0.876 110 S HN 0.505 nan 8.310 nan 0.000 0.448 111 A N 1.424 124.195 122.820 -0.083 0.000 1.892 111 A HA -0.107 4.210 4.320 -0.004 0.000 0.218 111 A C 2.145 179.630 177.584 -0.165 0.000 1.188 111 A CA 1.426 53.401 52.037 -0.104 0.000 0.631 111 A CB -0.895 18.029 19.000 -0.126 0.000 0.822 111 A HN 0.461 nan 8.150 nan 0.000 0.447 112 L N -0.909 120.109 121.223 -0.342 0.000 2.012 112 L HA -0.266 4.072 4.340 -0.004 0.000 0.210 112 L C 3.146 179.773 176.870 -0.404 0.000 1.073 112 L CA 1.290 55.755 54.840 -0.625 0.000 0.748 112 L CB -0.563 40.617 42.059 -1.466 0.000 0.891 112 L HN 0.473 nan 8.230 nan 0.000 0.431 113 A N -0.146 122.555 122.820 -0.198 0.000 1.908 113 A HA -0.271 4.047 4.320 -0.004 0.000 0.218 113 A C 2.397 180.084 177.584 0.171 0.000 1.181 113 A CA 1.964 54.154 52.037 0.256 0.000 0.627 113 A CB -0.602 18.655 19.000 0.428 0.000 0.818 113 A HN 0.383 nan 8.150 nan 0.000 0.445 114 R N -1.010 119.549 120.500 0.098 0.000 2.115 114 R HA -0.087 4.251 4.340 -0.004 0.000 0.230 114 R C 2.267 178.594 176.300 0.045 0.000 1.111 114 R CA 1.489 57.638 56.100 0.082 0.000 0.976 114 R CB -0.146 30.196 30.300 0.069 0.000 0.870 114 R HN 0.410 nan 8.270 nan 0.000 0.445 115 R N 0.056 120.567 120.500 0.019 0.000 2.153 115 R HA -0.031 4.306 4.340 -0.004 0.000 0.218 115 R C 2.004 178.344 176.300 0.067 0.000 1.072 115 R CA 0.735 56.846 56.100 0.018 0.000 0.990 115 R CB -0.301 29.988 30.300 -0.019 0.000 0.889 115 R HN 0.253 nan 8.270 nan 0.000 0.452 116 L N 0.044 121.348 121.223 0.135 0.000 2.072 116 L HA -0.012 4.326 4.340 -0.004 0.000 0.205 116 L C 1.860 178.775 176.870 0.076 0.000 1.079 116 L CA 1.570 56.521 54.840 0.186 0.000 0.752 116 L CB -0.427 41.856 42.059 0.373 0.000 0.906 116 L HN 0.284 nan 8.230 nan 0.000 0.436 117 L N -0.920 120.334 121.223 0.051 0.000 2.131 117 L HA -0.263 4.075 4.340 -0.004 0.000 0.210 117 L C 2.490 179.354 176.870 -0.010 0.000 1.092 117 L CA 1.555 56.392 54.840 -0.005 0.000 0.759 117 L CB -0.119 41.940 42.059 0.001 0.000 0.903 117 L HN 0.502 nan 8.230 nan 0.000 0.435 118 Q N -0.880 118.924 119.800 0.006 0.000 2.172 118 Q HA -0.173 4.164 4.340 -0.004 0.000 0.200 118 Q C 1.932 177.925 176.000 -0.010 0.000 0.964 118 Q CA 1.090 56.888 55.803 -0.008 0.000 0.855 118 Q CB 0.328 29.064 28.738 -0.003 0.000 0.918 118 Q HN 0.389 nan 8.270 nan 0.000 0.444 119 E N -0.128 120.076 120.200 0.007 0.000 2.170 119 E HA -0.062 4.286 4.350 -0.004 0.000 0.191 119 E C 1.876 178.472 176.600 -0.006 0.000 0.981 119 E CA 0.497 56.901 56.400 0.008 0.000 0.830 119 E CB 0.107 29.826 29.700 0.032 0.000 0.775 119 E HN 0.240 nan 8.360 nan 0.000 0.470 120 R N 0.444 120.934 120.500 -0.016 0.000 2.062 120 R HA 0.042 4.380 4.340 -0.004 0.000 0.229 120 R C 2.582 178.853 176.300 -0.049 0.000 1.128 120 R CA 0.544 56.619 56.100 -0.042 0.000 0.960 120 R CB -0.545 29.713 30.300 -0.070 0.000 0.855 120 R HN 0.201 nan 8.270 nan 0.000 0.432 121 L N 0.105 121.298 121.223 -0.050 0.000 2.017 121 L HA -0.118 4.220 4.340 -0.004 0.000 0.208 121 L C 2.735 179.576 176.870 -0.048 0.000 1.073 121 L CA 1.164 55.974 54.840 -0.050 0.000 0.745 121 L CB -0.466 41.557 42.059 -0.059 0.000 0.894 121 L HN 0.148 nan 8.230 nan 0.000 0.432 122 R N 0.119 120.589 120.500 -0.049 0.000 2.261 122 R HA -0.170 4.167 4.340 -0.004 0.000 0.236 122 R C 1.389 177.672 176.300 -0.029 0.000 1.141 122 R CA 1.205 57.275 56.100 -0.050 0.000 1.001 122 R CB 0.101 30.378 30.300 -0.038 0.000 0.866 122 R HN 0.127 nan 8.270 nan 0.000 0.468 123 R N -0.727 119.762 120.500 -0.018 0.000 2.543 123 R HA 0.210 4.547 4.340 -0.004 0.000 0.323 123 R C -0.843 175.459 176.300 0.002 0.000 1.002 123 R CA -0.321 55.777 56.100 -0.004 0.000 1.106 123 R CB 0.356 30.653 30.300 -0.005 0.000 1.280 123 R HN -0.019 nan 8.270 nan 0.000 0.549 124 L N 1.301 122.526 121.223 0.002 0.000 2.456 124 L HA 0.138 4.476 4.340 -0.004 0.000 0.272 124 L C 0.146 177.048 176.870 0.053 0.000 1.189 124 L CA 0.640 55.492 54.840 0.022 0.000 0.846 124 L CB 0.610 42.691 42.059 0.036 0.000 1.111 124 L HN 0.176 nan 8.230 nan 0.000 0.475 125 E N 2.013 122.251 120.200 0.064 0.000 2.214 125 E HA 0.500 4.848 4.350 -0.004 0.000 0.274 125 E C 0.441 177.106 176.600 0.109 0.000 0.977 125 E CA -0.008 56.438 56.400 0.077 0.000 0.827 125 E CB 1.072 30.806 29.700 0.057 0.000 1.130 125 E HN 0.809 nan 8.360 nan 0.000 0.394 126 G N 0.839 109.703 108.800 0.105 0.000 2.246 126 G HA2 -0.219 3.738 3.960 -0.004 0.000 0.273 126 G HA3 -0.219 3.738 3.960 -0.004 0.000 0.273 126 G C -0.348 174.628 174.900 0.126 0.000 1.055 126 G CA 0.170 45.335 45.100 0.108 0.000 0.851 126 G HN 0.343 nan 8.290 nan 0.000 0.500 127 V N 0.188 120.193 119.914 0.151 0.000 3.000 127 V HA 0.633 4.750 4.120 -0.004 0.000 0.300 127 V C -0.773 175.467 176.094 0.243 0.000 1.251 127 V CA -1.138 61.265 62.300 0.172 0.000 0.972 127 V CB 2.355 34.276 31.823 0.163 0.000 1.065 127 V HN 0.487 nan 8.190 nan 0.000 0.431 128 W N 6.101 127.471 121.300 0.117 0.000 2.316 128 W HA 0.717 5.375 4.660 -0.004 0.000 0.308 128 W C -1.644 175.006 176.519 0.219 0.000 1.106 128 W CA -0.442 56.987 57.345 0.140 0.000 1.262 128 W CB 1.559 31.094 29.460 0.126 0.000 1.233 128 W HN 0.421 nan 8.180 nan 0.000 0.447 129 V N 5.460 124.945 119.914 -0.716 0.000 2.732 129 V HA 0.361 4.479 4.120 -0.004 0.000 0.310 129 V C -0.461 175.115 176.094 -0.863 0.000 1.053 129 V CA -0.601 61.343 62.300 -0.593 0.000 0.957 129 V CB 1.886 33.518 31.823 -0.318 0.000 1.018 129 V HN 0.564 nan 8.190 nan 0.000 0.452 130 E N 1.981 121.952 120.200 -0.381 0.000 2.738 130 E HA 0.472 4.820 4.350 -0.004 0.000 0.347 130 E C 0.268 176.816 176.600 -0.088 0.000 1.077 130 E CA 0.528 56.787 56.400 -0.236 0.000 0.755 130 E CB 0.698 30.354 29.700 -0.075 0.000 1.576 130 E HN 1.034 nan 8.360 nan 0.000 0.379 131 G N 3.222 111.962 108.800 -0.100 0.000 2.536 131 G HA2 -0.326 3.632 3.960 -0.004 0.000 0.277 131 G HA3 -0.326 3.632 3.960 -0.004 0.000 0.277 131 G C 0.411 175.277 174.900 -0.056 0.000 1.155 131 G CA 0.169 45.235 45.100 -0.056 0.000 0.960 131 G HN 0.476 nan 8.290 nan 0.000 0.544 132 L N 1.982 123.184 121.223 -0.036 0.000 2.741 132 L HA 0.581 4.918 4.340 -0.004 0.000 0.237 132 L C 1.226 178.056 176.870 -0.066 0.000 1.178 132 L CA 0.526 55.343 54.840 -0.037 0.000 0.973 132 L CB -0.105 41.950 42.059 -0.007 0.000 1.255 132 L HN 0.779 nan 8.230 nan 0.000 0.498 133 A N 0.445 123.211 122.820 -0.091 0.000 2.303 133 A HA 0.676 4.993 4.320 -0.004 0.000 0.320 133 A C -0.459 176.919 177.584 -0.343 0.000 1.192 133 A CA -0.342 51.570 52.037 -0.208 0.000 0.821 133 A CB 1.266 20.205 19.000 -0.102 0.000 1.188 133 A HN -0.041 nan 8.150 nan 0.000 0.492 134 V N 2.196 121.834 119.914 -0.460 0.000 2.547 134 V HA 0.470 4.587 4.120 -0.004 0.000 0.299 134 V C -1.068 174.616 176.094 -0.684 0.000 1.040 134 V CA -0.399 61.688 62.300 -0.355 0.000 0.913 134 V CB 1.179 32.942 31.823 -0.100 0.000 0.992 134 V HN 0.778 nan 8.190 nan 0.000 0.449 135 Y N 2.963 123.263 120.300 -0.000 0.000 2.361 135 Y HA 0.544 5.091 4.550 -0.004 0.000 0.337 135 Y C 0.882 176.795 175.900 0.022 0.000 0.965 135 Y CA -0.651 57.480 58.100 0.051 0.000 1.091 135 Y CB 2.255 40.854 38.460 0.232 0.000 1.182 135 Y HN 0.461 nan 8.280 nan 0.000 0.450 136 R N 1.378 121.891 120.500 0.022 0.000 2.287 136 R HA 0.291 4.629 4.340 -0.004 0.000 0.197 136 R C -0.096 176.190 176.300 -0.023 0.000 0.900 136 R CA 0.166 56.214 56.100 -0.087 0.000 1.052 136 R CB 0.766 30.858 30.300 -0.346 0.000 1.117 136 R HN 0.595 nan 8.270 nan 0.000 0.568 137 R N -0.810 119.713 120.500 0.038 0.000 2.734 137 R HA 0.444 4.782 4.340 -0.004 0.000 0.271 137 R C -1.307 175.066 176.300 0.121 0.000 1.021 137 R CA -0.593 55.540 56.100 0.054 0.000 0.893 137 R CB 0.574 30.882 30.300 0.013 0.000 1.244 137 R HN -0.096 nan 8.270 nan 0.000 0.464 138 E N 0.970 121.232 120.200 0.103 0.000 2.331 138 E HA 0.097 4.445 4.350 -0.004 0.000 0.272 138 E C -0.193 176.523 176.600 0.194 0.000 1.036 138 E CA -0.157 56.321 56.400 0.130 0.000 0.864 138 E CB 0.700 30.436 29.700 0.059 0.000 1.035 138 E HN 0.820 nan 8.360 nan 0.000 0.408 139 H N 0.067 119.219 119.070 0.136 0.000 2.800 139 H HA 0.567 5.120 4.556 -0.004 0.000 0.257 139 H C 0.193 175.581 175.328 0.100 0.000 0.967 139 H CA 1.096 57.236 56.048 0.153 0.000 1.192 139 H CB 0.942 30.881 29.762 0.296 0.000 1.441 139 H HN 0.785 nan 8.280 nan 0.000 0.461 140 A N 1.204 123.996 122.820 -0.047 0.000 2.589 140 A HA 0.617 4.935 4.320 -0.004 0.000 0.296 140 A C -1.155 176.454 177.584 0.040 0.000 1.062 140 A CA -0.915 51.086 52.037 -0.060 0.000 0.686 140 A CB 1.633 20.623 19.000 -0.016 0.000 1.282 140 A HN 0.399 nan 8.150 nan 0.000 0.404 141 R N 1.146 121.529 120.500 -0.195 0.000 2.651 141 R HA 0.804 5.142 4.340 -0.004 0.000 0.278 141 R C -0.000 175.640 176.300 -1.100 0.000 1.010 141 R CA -0.448 55.312 56.100 -0.566 0.000 0.896 141 R CB 1.949 32.051 30.300 -0.331 0.000 1.211 141 R HN 1.160 nan 8.270 nan 0.000 0.456 142 G N 0.948 108.510 108.800 -2.064 0.000 3.222 142 G HA2 0.582 4.539 3.960 -0.004 0.000 0.263 142 G HA3 0.582 4.539 3.960 -0.004 0.000 0.263 142 G C -2.607 171.671 174.900 -1.037 0.000 1.312 142 G CA -1.340 42.745 45.100 -1.691 0.000 0.934 142 G HN 0.465 nan 8.290 nan 0.000 0.577 143 P HA 0.266 nan 4.420 nan 0.000 0.268 143 P C 0.562 177.824 177.300 -0.063 0.000 1.541 143 P CA 0.887 63.867 63.100 -0.201 0.000 1.093 143 P CB 0.431 32.111 31.700 -0.032 0.000 1.551 144 G N 2.451 111.190 108.800 -0.101 0.000 2.141 144 G HA2 -0.154 3.804 3.960 -0.004 0.000 0.231 144 G HA3 -0.154 3.804 3.960 -0.004 0.000 0.231 144 G C -0.358 174.656 174.900 0.191 0.000 0.984 144 G CA -0.132 45.022 45.100 0.089 0.000 0.660 144 G HN 0.630 nan 8.290 nan 0.000 0.525 145 W N -1.036 120.297 121.300 0.054 0.000 3.137 145 W HA 0.837 5.495 4.660 -0.004 0.000 0.324 145 W C -0.689 175.808 176.519 -0.036 0.000 1.253 145 W CA -1.458 55.875 57.345 -0.021 0.000 1.183 145 W CB 0.806 30.268 29.460 0.003 0.000 1.424 145 W HN 0.119 nan 8.180 nan 0.000 0.566 146 R N 0.795 121.538 120.500 0.404 0.000 2.817 146 R HA 0.698 5.036 4.340 -0.004 0.000 0.268 146 R C -1.690 174.816 176.300 0.343 0.000 1.027 146 R CA -1.117 55.156 56.100 0.288 0.000 0.928 146 R CB 2.728 33.052 30.300 0.039 0.000 1.228 146 R HN 0.315 nan 8.270 nan 0.000 0.469 147 V N 3.014 123.103 119.914 0.291 0.000 2.569 147 V HA 0.417 4.535 4.120 -0.004 0.000 0.301 147 V C -0.666 175.596 176.094 0.280 0.000 1.044 147 V CA -0.681 61.772 62.300 0.256 0.000 0.874 147 V CB 1.847 33.838 31.823 0.281 0.000 1.002 147 V HN 0.473 nan 8.190 nan 0.000 0.424 148 L N 3.855 125.220 121.223 0.236 0.000 2.325 148 L HA 0.834 5.172 4.340 -0.004 0.000 0.278 148 L C 0.722 177.839 176.870 0.411 0.000 1.023 148 L CA -0.493 54.509 54.840 0.270 0.000 0.811 148 L CB 1.832 43.984 42.059 0.154 0.000 1.249 148 L HN 0.723 nan 8.230 nan 0.000 0.431 149 G N 0.361 109.355 108.800 0.324 0.000 2.372 149 G HA2 0.661 4.619 3.960 -0.004 0.000 0.323 149 G HA3 0.661 4.619 3.960 -0.004 0.000 0.323 149 G C -0.265 174.646 174.900 0.019 0.000 1.152 149 G CA 0.071 45.197 45.100 0.043 0.000 0.906 149 G HN 0.828 nan 8.290 nan 0.000 0.460 150 G N -0.134 108.586 108.800 -0.133 0.000 2.899 150 G HA2 0.865 4.823 3.960 -0.004 0.000 0.137 150 G HA3 0.865 4.823 3.960 -0.004 0.000 0.137 150 G C -0.955 173.735 174.900 -0.350 0.000 1.198 150 G CA 0.422 45.345 45.100 -0.295 0.000 1.126 150 G HN 1.835 nan 8.290 nan 0.000 0.589 151 A N -1.611 120.948 122.820 -0.435 0.000 2.597 151 A HA 0.661 4.979 4.320 -0.004 0.000 0.292 151 A C -1.558 175.874 177.584 -0.253 0.000 1.057 151 A CA -0.279 51.598 52.037 -0.267 0.000 0.674 151 A CB 1.113 20.013 19.000 -0.166 0.000 1.278 151 A HN 1.470 nan 8.150 nan 0.000 0.416 152 V N 1.436 121.276 119.914 -0.123 0.000 2.472 152 V HA 0.643 4.761 4.120 -0.004 0.000 0.290 152 V C -0.053 176.022 176.094 -0.031 0.000 1.037 152 V CA -0.229 62.028 62.300 -0.072 0.000 0.908 152 V CB 0.902 32.719 31.823 -0.010 0.000 0.985 152 V HN 0.727 nan 8.190 nan 0.000 0.454 153 L N 3.039 124.248 121.223 -0.025 0.000 2.279 153 L HA 0.845 5.183 4.340 -0.004 0.000 0.262 153 L C -1.010 175.884 176.870 0.040 0.000 1.019 153 L CA -0.662 54.179 54.840 0.002 0.000 0.823 153 L CB 2.207 44.250 42.059 -0.026 0.000 1.358 153 L HN 0.546 nan 8.230 nan 0.000 0.432 154 D N 0.633 121.071 120.400 0.062 0.000 2.803 154 D HA 0.587 5.224 4.640 -0.004 0.000 0.218 154 D C -2.037 174.323 176.300 0.100 0.000 1.245 154 D CA -0.299 53.781 54.000 0.133 0.000 0.821 154 D CB 2.590 43.548 40.800 0.263 0.000 1.626 154 D HN 0.278 nan 8.370 nan 0.000 0.487 155 L N 4.182 125.501 121.223 0.161 0.000 2.431 155 L HA 0.876 5.214 4.340 -0.004 0.000 0.266 155 L C -1.577 175.491 176.870 0.329 0.000 0.978 155 L CA -0.279 54.627 54.840 0.110 0.000 0.822 155 L CB 1.355 43.441 42.059 0.046 0.000 1.310 155 L HN 0.618 nan 8.230 nan 0.000 0.409 156 W N 3.579 124.968 121.300 0.148 0.000 2.962 156 W HA 0.832 5.490 4.660 -0.004 0.000 0.405 156 W C -2.026 174.598 176.519 0.174 0.000 1.121 156 W CA -1.068 56.356 57.345 0.133 0.000 1.164 156 W CB 0.520 30.020 29.460 0.066 0.000 1.489 156 W HN 0.286 nan 8.180 nan 0.000 0.599 157 V N 2.699 122.917 119.914 0.506 0.000 2.513 157 V HA 0.551 4.669 4.120 -0.004 0.000 0.299 157 V C 0.553 176.840 176.094 0.322 0.000 1.035 157 V CA -0.276 62.180 62.300 0.260 0.000 0.889 157 V CB 0.854 32.748 31.823 0.118 0.000 0.988 157 V HN 0.776 nan 8.190 nan 0.000 0.440 158 S N 2.117 117.912 115.700 0.157 0.000 2.607 158 S HA 0.247 4.715 4.470 -0.004 0.000 0.272 158 S C 0.652 175.308 174.600 0.093 0.000 1.166 158 S CA -0.103 58.191 58.200 0.156 0.000 1.021 158 S CB 0.756 64.004 63.200 0.081 0.000 1.113 158 S HN 0.648 nan 8.310 nan 0.000 0.531 159 D N 1.067 121.511 120.400 0.073 0.000 2.120 159 D HA 0.014 4.651 4.640 -0.004 0.000 0.202 159 D C 1.760 178.071 176.300 0.019 0.000 0.972 159 D CA 1.712 55.737 54.000 0.042 0.000 0.837 159 D CB -0.613 40.210 40.800 0.038 0.000 0.989 159 D HN 0.644 nan 8.370 nan 0.000 0.469 160 S N -0.073 115.636 115.700 0.015 0.000 2.954 160 S HA 0.231 4.698 4.470 -0.004 0.000 0.234 160 S C 1.439 176.025 174.600 -0.023 0.000 0.978 160 S CA 0.275 58.473 58.200 -0.003 0.000 1.045 160 S CB -0.800 62.400 63.200 0.000 0.000 0.807 160 S HN 0.317 nan 8.310 nan 0.000 0.508 161 G N 0.495 109.280 108.800 -0.026 0.000 2.421 161 G HA2 -0.041 3.917 3.960 -0.004 0.000 0.300 161 G HA3 -0.041 3.917 3.960 -0.004 0.000 0.300 161 G C 0.134 174.961 174.900 -0.122 0.000 0.974 161 G CA 0.172 45.234 45.100 -0.064 0.000 1.062 161 G HN 1.316 nan 8.290 nan 0.000 0.514 162 A N -0.375 122.386 122.820 -0.098 0.000 2.365 162 A HA 0.822 5.140 4.320 -0.004 0.000 0.318 162 A C -0.040 177.485 177.584 -0.098 0.000 1.091 162 A CA -0.907 51.062 52.037 -0.113 0.000 0.763 162 A CB 1.063 20.045 19.000 -0.031 0.000 1.248 162 A HN 0.469 nan 8.150 nan 0.000 0.442 163 F N 0.836 120.780 119.950 -0.011 0.000 2.572 163 F HA 0.338 4.863 4.527 -0.004 0.000 0.370 163 F C 0.407 176.131 175.800 -0.126 0.000 1.103 163 F CA 0.685 58.661 58.000 -0.041 0.000 1.286 163 F CB 0.596 39.575 39.000 -0.035 0.000 1.105 163 F HN 0.442 nan 8.300 nan 0.000 0.583 164 L N 5.071 126.260 121.223 -0.057 0.000 2.410 164 L HA 0.606 4.944 4.340 -0.004 0.000 0.270 164 L C -1.612 174.939 176.870 -0.531 0.000 0.983 164 L CA -0.960 53.671 54.840 -0.349 0.000 0.822 164 L CB 1.754 43.456 42.059 -0.596 0.000 1.285 164 L HN 0.556 nan 8.230 nan 0.000 0.409 165 L N 3.664 124.694 121.223 -0.322 0.000 2.362 165 L HA 0.535 4.873 4.340 -0.004 0.000 0.271 165 L C -0.772 176.038 176.870 -0.099 0.000 1.002 165 L CA -0.024 54.682 54.840 -0.222 0.000 0.818 165 L CB 1.942 43.949 42.059 -0.087 0.000 1.298 165 L HN 0.535 nan 8.230 nan 0.000 0.420 166 E N 3.150 123.309 120.200 -0.068 0.000 2.191 166 E HA 0.592 4.939 4.350 -0.004 0.000 0.278 166 E C -1.570 175.097 176.600 0.112 0.000 0.972 166 E CA -0.554 55.895 56.400 0.082 0.000 0.804 166 E CB 2.255 32.050 29.700 0.157 0.000 1.110 166 E HN 0.429 nan 8.360 nan 0.000 0.394 167 V N 3.344 123.365 119.914 0.178 0.000 2.559 167 V HA 0.141 4.259 4.120 -0.004 0.000 0.289 167 V C -1.180 174.999 176.094 0.142 0.000 1.036 167 V CA -0.798 61.573 62.300 0.119 0.000 0.887 167 V CB 1.871 33.731 31.823 0.061 0.000 1.022 167 V HN 0.598 nan 8.190 nan 0.000 0.442 168 D N 6.250 126.699 120.400 0.082 0.000 2.549 168 D HA 0.556 5.193 4.640 -0.004 0.000 0.251 168 D C -2.807 173.504 176.300 0.018 0.000 1.153 168 D CA -1.812 52.240 54.000 0.086 0.000 0.861 168 D CB 3.050 43.904 40.800 0.091 0.000 1.207 168 D HN 0.217 nan 8.370 nan 0.000 0.543 169 P HA 0.297 nan 4.420 nan 0.000 0.262 169 P C -1.215 176.019 177.300 -0.110 0.000 1.182 169 P CA 0.051 63.091 63.100 -0.100 0.000 0.761 169 P CB 0.933 32.574 31.700 -0.098 0.000 0.795 170 A N 3.087 125.797 122.820 -0.184 0.000 2.569 170 A HA 0.743 5.060 4.320 -0.004 0.000 0.290 170 A C -1.731 175.767 177.584 -0.143 0.000 1.136 170 A CA -0.481 51.505 52.037 -0.084 0.000 0.710 170 A CB 1.047 20.074 19.000 0.045 0.000 1.303 170 A HN 0.416 nan 8.150 nan 0.000 0.413 171 Y N -0.514 119.878 120.300 0.154 0.000 2.549 171 Y HA 0.748 5.296 4.550 -0.004 0.000 0.339 171 Y C 0.350 176.347 175.900 0.162 0.000 1.053 171 Y CA -0.489 57.709 58.100 0.164 0.000 1.105 171 Y CB 2.183 40.677 38.460 0.056 0.000 1.258 171 Y HN 0.778 nan 8.280 nan 0.000 0.478 172 R N 1.918 122.562 120.500 0.241 0.000 2.532 172 R HA 0.579 4.917 4.340 -0.004 0.000 0.297 172 R C -2.182 174.115 176.300 -0.005 0.000 0.984 172 R CA -0.305 55.775 56.100 -0.035 0.000 0.884 172 R CB 0.752 30.720 30.300 -0.553 0.000 1.182 172 R HN 0.700 nan 8.270 nan 0.000 0.442 173 I N 6.528 127.081 120.570 -0.029 0.000 2.307 173 I HA 0.277 4.444 4.170 -0.004 0.000 0.289 173 I C -0.413 175.649 176.117 -0.093 0.000 1.021 173 I CA -0.534 60.737 61.300 -0.049 0.000 1.224 173 I CB 0.952 38.888 38.000 -0.107 0.000 1.376 173 I HN 0.416 nan 8.210 nan 0.000 0.470 174 L N 5.922 127.104 121.223 -0.068 0.000 2.343 174 L HA 0.461 4.799 4.340 -0.004 0.000 0.275 174 L C -0.231 176.572 176.870 -0.111 0.000 1.056 174 L CA -0.600 54.167 54.840 -0.122 0.000 0.804 174 L CB 1.899 43.860 42.059 -0.163 0.000 1.203 174 L HN 0.619 nan 8.230 nan 0.000 0.440 175 C N 2.174 121.357 119.300 -0.195 0.000 2.271 175 C HA 0.506 4.964 4.460 -0.004 0.000 0.323 175 C C 1.176 176.073 174.990 -0.155 0.000 1.245 175 C CA -0.246 58.626 59.018 -0.243 0.000 1.548 175 C CB 0.357 27.805 27.740 -0.488 0.000 2.214 175 C HN 1.019 nan 8.230 nan 0.000 0.477 176 E N 4.840 125.000 120.200 -0.066 0.000 2.505 176 E HA 0.217 4.565 4.350 -0.004 0.000 0.197 176 E C 0.357 176.945 176.600 -0.018 0.000 1.111 176 E CA 0.693 57.061 56.400 -0.054 0.000 0.887 176 E CB -0.174 29.501 29.700 -0.041 0.000 0.913 176 E HN 0.897 nan 8.360 nan 0.000 0.517 177 M N -0.972 118.626 119.600 -0.003 0.000 2.788 177 M HA 0.478 4.955 4.480 -0.004 0.000 0.291 177 M C 0.302 176.608 176.300 0.011 0.000 1.213 177 M CA -0.915 54.414 55.300 0.048 0.000 0.768 177 M CB 2.394 35.100 32.600 0.176 0.000 1.766 177 M HN 0.109 nan 8.290 nan 0.000 0.460 178 S N -0.114 115.615 115.700 0.048 0.000 2.687 178 S HA 0.422 4.889 4.470 -0.004 0.000 0.283 178 S C 0.721 175.359 174.600 0.064 0.000 1.170 178 S CA -0.931 57.283 58.200 0.023 0.000 1.008 178 S CB 0.989 64.205 63.200 0.026 0.000 1.026 178 S HN 0.840 nan 8.310 nan 0.000 0.541 179 L N 0.230 121.465 121.223 0.019 0.000 2.043 179 L HA -0.148 4.190 4.340 -0.004 0.000 0.212 179 L C 2.757 179.700 176.870 0.122 0.000 1.075 179 L CA 2.346 57.219 54.840 0.056 0.000 0.752 179 L CB -0.551 41.501 42.059 -0.012 0.000 0.891 179 L HN 0.968 nan 8.230 nan 0.000 0.432 180 E N 0.181 120.425 120.200 0.074 0.000 2.038 180 E HA -0.231 4.116 4.350 -0.004 0.000 0.195 180 E C 2.008 178.668 176.600 0.100 0.000 1.000 180 E CA 1.901 58.345 56.400 0.073 0.000 0.803 180 E CB -0.298 29.428 29.700 0.045 0.000 0.750 180 E HN 0.501 nan 8.360 nan 0.000 0.448 181 A N 1.207 124.092 122.820 0.110 0.000 1.865 181 A HA -0.218 4.100 4.320 -0.004 0.000 0.217 181 A C 2.341 180.038 177.584 0.189 0.000 1.191 181 A CA 1.706 53.817 52.037 0.124 0.000 0.623 181 A CB -1.573 17.498 19.000 0.119 0.000 0.826 181 A HN 0.698 nan 8.150 nan 0.000 0.444 182 W N 0.554 121.865 121.300 0.018 0.000 2.317 182 W HA -0.234 4.424 4.660 -0.004 0.000 0.318 182 W C 1.809 178.403 176.519 0.125 0.000 1.227 182 W CA 1.985 59.349 57.345 0.031 0.000 1.269 182 W CB -0.361 29.073 29.460 -0.043 0.000 1.155 182 W HN 0.330 nan 8.180 nan 0.000 0.484 183 L N 0.755 122.099 121.223 0.201 0.000 2.131 183 L HA -0.172 4.166 4.340 -0.004 0.000 0.210 183 L C 2.710 179.587 176.870 0.012 0.000 1.092 183 L CA 1.190 56.078 54.840 0.079 0.000 0.759 183 L CB -1.170 40.950 42.059 0.102 0.000 0.903 183 L HN -0.048 nan 8.230 nan 0.000 0.435 184 A N -0.924 121.916 122.820 0.035 0.000 2.172 184 A HA -0.145 4.173 4.320 -0.004 0.000 0.216 184 A C 2.037 179.604 177.584 -0.029 0.000 1.154 184 A CA 1.011 53.052 52.037 0.007 0.000 0.701 184 A CB -0.169 18.847 19.000 0.027 0.000 0.789 184 A HN 0.421 nan 8.150 nan 0.000 0.465 185 Q N -1.804 117.965 119.800 -0.052 0.000 2.356 185 Q HA 0.199 4.536 4.340 -0.004 0.000 0.205 185 Q C 1.196 177.033 176.000 -0.272 0.000 0.901 185 Q CA 0.778 56.512 55.803 -0.115 0.000 0.938 185 Q CB 0.575 29.281 28.738 -0.052 0.000 1.081 185 Q HN 0.937 nan 8.270 nan 0.000 0.517 186 G N 0.918 109.574 108.800 -0.240 0.000 2.179 186 G HA2 -0.214 3.744 3.960 -0.004 0.000 0.220 186 G HA3 -0.214 3.744 3.960 -0.004 0.000 0.220 186 G C -0.209 174.474 174.900 -0.362 0.000 0.990 186 G CA -0.126 44.805 45.100 -0.281 0.000 0.646 186 G HN 0.448 nan 8.290 nan 0.000 0.517 187 H N 2.282 121.117 119.070 -0.393 0.000 2.707 187 H HA 0.453 5.007 4.556 -0.004 0.000 0.359 187 H C -1.584 173.662 175.328 -0.136 0.000 1.113 187 H CA -0.302 55.522 56.048 -0.373 0.000 1.422 187 H CB 0.632 29.874 29.762 -0.866 0.000 1.443 187 H HN 0.224 nan 8.280 nan 0.000 0.591 188 P HA -0.014 nan 4.420 nan 0.000 0.272 188 P C -0.513 176.884 177.300 0.162 0.000 1.223 188 P CA -0.512 62.638 63.100 0.083 0.000 0.784 188 P CB 0.854 32.583 31.700 0.048 0.000 0.923 189 L N 3.850 125.138 121.223 0.110 0.000 2.559 189 L HA 0.085 4.423 4.340 -0.004 0.000 0.282 189 L C -1.680 175.257 176.870 0.111 0.000 1.232 189 L CA -0.314 54.598 54.840 0.120 0.000 0.885 189 L CB -1.434 40.667 42.059 0.071 0.000 1.131 189 L HN 0.364 nan 8.230 nan 0.000 0.498 190 P HA 0.111 nan 4.420 nan 0.000 0.273 190 P C 0.094 177.406 177.300 0.019 0.000 1.250 190 P CA -0.408 62.716 63.100 0.040 0.000 0.793 190 P CB 0.670 32.349 31.700 -0.035 0.000 1.011 191 K N 0.079 120.479 120.400 -0.000 0.000 2.186 191 K HA 0.075 4.392 4.320 -0.004 0.000 0.202 191 K C 0.362 176.968 176.600 0.009 0.000 1.052 191 K CA 0.982 57.270 56.287 0.003 0.000 0.965 191 K CB 0.307 32.803 32.500 -0.007 0.000 0.746 191 K HN 0.344 nan 8.250 nan 0.000 0.457 192 R N -0.894 119.603 120.500 -0.004 0.000 2.740 192 R HA 0.510 4.848 4.340 -0.004 0.000 0.273 192 R C -1.605 174.690 176.300 -0.008 0.000 0.998 192 R CA -0.944 55.163 56.100 0.013 0.000 0.900 192 R CB 2.025 32.328 30.300 0.004 0.000 1.223 192 R HN -0.144 nan 8.270 nan 0.000 0.466 193 V N 0.924 120.858 119.914 0.033 0.000 3.040 193 V HA 0.592 4.709 4.120 -0.004 0.000 0.312 193 V C -0.953 175.177 176.094 0.061 0.000 1.115 193 V CA -0.865 61.433 62.300 -0.003 0.000 0.998 193 V CB 2.372 34.170 31.823 -0.043 0.000 1.042 193 V HN 0.632 nan 8.190 nan 0.000 0.433 194 R N 3.221 123.712 120.500 -0.015 0.000 2.711 194 R HA 0.447 4.785 4.340 -0.004 0.000 0.284 194 R C -0.812 175.447 176.300 -0.069 0.000 0.968 194 R CA -0.708 55.384 56.100 -0.013 0.000 0.924 194 R CB 1.609 31.872 30.300 -0.063 0.000 1.162 194 R HN 0.793 nan 8.270 nan 0.000 0.465 195 N N 2.063 120.716 118.700 -0.079 0.000 2.438 195 N HA 0.011 4.749 4.740 -0.004 0.000 0.267 195 N C 0.732 175.970 175.510 -0.453 0.000 1.222 195 N CA 0.356 53.188 53.050 -0.363 0.000 0.930 195 N CB 1.492 39.638 38.487 -0.568 0.000 1.083 195 N HN 0.646 nan 8.380 nan 0.000 0.476 196 A N 3.518 126.117 122.820 -0.369 0.000 1.986 196 A HA -0.223 4.094 4.320 -0.004 0.000 0.220 196 A C 1.343 178.849 177.584 -0.130 0.000 1.171 196 A CA 1.402 53.335 52.037 -0.173 0.000 0.640 196 A CB -0.780 18.195 19.000 -0.043 0.000 0.811 196 A HN 0.822 nan 8.150 nan 0.000 0.451 197 Y N -0.338 119.991 120.300 0.050 0.000 2.490 197 Y HA 0.392 4.939 4.550 -0.004 0.000 0.281 197 Y C 0.521 176.461 175.900 0.067 0.000 1.174 197 Y CA -0.412 57.718 58.100 0.050 0.000 1.295 197 Y CB -0.458 38.029 38.460 0.044 0.000 1.062 197 Y HN 0.533 nan 8.280 nan 0.000 0.522 198 D N -1.655 118.675 120.400 -0.115 0.000 3.557 198 D HA 0.262 4.899 4.640 -0.004 0.000 0.331 198 D C 0.729 177.009 176.300 -0.033 0.000 1.442 198 D CA -0.866 53.142 54.000 0.014 0.000 0.971 198 D CB 0.310 41.182 40.800 0.120 0.000 1.423 198 D HN -0.187 nan 8.370 nan 0.000 0.604 199 R N -0.934 119.561 120.500 -0.009 0.000 2.308 199 R HA 0.264 4.601 4.340 -0.004 0.000 0.202 199 R C 0.485 176.747 176.300 -0.064 0.000 0.898 199 R CA -0.350 55.740 56.100 -0.017 0.000 1.046 199 R CB -0.004 30.297 30.300 0.003 0.000 1.026 199 R HN 0.341 nan 8.270 nan 0.000 0.512 200 R N 2.197 122.641 120.500 -0.094 0.000 2.585 200 R HA -0.021 4.316 4.340 -0.004 0.000 0.275 200 R C -0.190 175.959 176.300 -0.252 0.000 1.018 200 R CA 0.658 56.636 56.100 -0.204 0.000 1.072 200 R CB 0.534 30.696 30.300 -0.229 0.000 0.953 200 R HN -0.009 nan 8.270 nan 0.000 0.419 201 T N 1.087 115.420 114.554 -0.369 0.000 2.908 201 T HA 0.697 5.045 4.350 -0.004 0.000 0.290 201 T C -1.039 173.409 174.700 -0.420 0.000 1.034 201 T CA -0.807 61.145 62.100 -0.247 0.000 1.010 201 T CB 0.998 69.799 68.868 -0.110 0.000 1.068 201 T HN 0.618 nan 8.240 nan 0.000 0.481 202 W N -0.432 120.850 121.300 -0.030 0.000 3.098 202 W HA 0.614 5.272 4.660 -0.004 0.000 0.367 202 W C -0.638 175.870 176.519 -0.019 0.000 1.163 202 W CA -0.963 56.378 57.345 -0.007 0.000 1.113 202 W CB 0.682 30.153 29.460 0.018 0.000 1.501 202 W HN 0.510 nan 8.180 nan 0.000 0.598 203 E N 1.859 122.225 120.200 0.277 0.000 2.174 203 E HA 0.307 4.655 4.350 -0.004 0.000 0.282 203 E C -0.863 175.816 176.600 0.131 0.000 0.992 203 E CA -0.806 55.679 56.400 0.141 0.000 0.803 203 E CB 1.826 31.584 29.700 0.097 0.000 1.090 203 E HN 0.400 nan 8.360 nan 0.000 0.396 204 L N 4.752 126.023 121.223 0.081 0.000 2.281 204 L HA 0.161 4.498 4.340 -0.004 0.000 0.285 204 L C 0.836 177.748 176.870 0.069 0.000 1.074 204 L CA -0.103 54.772 54.840 0.058 0.000 0.817 204 L CB 0.482 42.560 42.059 0.032 0.000 1.168 204 L HN 0.551 nan 8.230 nan 0.000 0.434 205 L N 4.374 125.654 121.223 0.095 0.000 2.116 205 L HA 0.135 4.473 4.340 -0.004 0.000 0.200 205 L C 0.173 177.099 176.870 0.092 0.000 1.084 205 L CA 0.415 55.314 54.840 0.098 0.000 0.766 205 L CB -0.139 42.000 42.059 0.133 0.000 0.930 205 L HN 0.664 nan 8.230 nan 0.000 0.453 206 R N -2.102 118.480 120.500 0.136 0.000 2.752 206 R HA 0.530 4.868 4.340 -0.004 0.000 0.277 206 R C -1.517 174.889 176.300 0.178 0.000 1.024 206 R CA -0.768 55.407 56.100 0.125 0.000 0.866 206 R CB 0.372 30.729 30.300 0.096 0.000 1.278 206 R HN -0.288 nan 8.270 nan 0.000 0.473 207 L N -0.468 120.842 121.223 0.145 0.000 2.569 207 L HA 0.877 5.215 4.340 -0.004 0.000 0.247 207 L C 0.377 177.386 176.870 0.232 0.000 1.135 207 L CA 0.454 55.383 54.840 0.148 0.000 0.812 207 L CB 1.356 43.470 42.059 0.090 0.000 1.431 207 L HN 0.919 nan 8.230 nan 0.000 0.499 208 G N -0.937 107.980 108.800 0.195 0.000 2.760 208 G HA2 0.446 4.403 3.960 -0.004 0.000 0.296 208 G HA3 0.446 4.403 3.960 -0.004 0.000 0.296 208 G C -0.375 174.613 174.900 0.145 0.000 1.427 208 G CA -0.308 44.939 45.100 0.245 0.000 1.109 208 G HN 0.509 nan 8.290 nan 0.000 0.553 209 E N 0.700 120.973 120.200 0.121 0.000 2.418 209 E HA -0.004 4.344 4.350 -0.004 0.000 0.197 209 E C 0.786 177.438 176.600 0.087 0.000 1.026 209 E CA 0.346 56.795 56.400 0.082 0.000 0.862 209 E CB 0.180 29.918 29.700 0.063 0.000 0.799 209 E HN 0.725 nan 8.360 nan 0.000 0.518 210 E N 1.414 121.692 120.200 0.129 0.000 2.481 210 E HA -0.046 4.301 4.350 -0.004 0.000 0.263 210 E C -0.344 176.301 176.600 0.075 0.000 0.992 210 E CA 0.103 56.579 56.400 0.125 0.000 0.938 210 E CB 0.299 30.132 29.700 0.221 0.000 0.933 210 E HN 0.019 nan 8.360 nan 0.000 0.453 211 D N 3.259 123.693 120.400 0.057 0.000 2.317 211 D HA 0.082 4.720 4.640 -0.004 0.000 0.252 211 D C -1.902 174.410 176.300 0.020 0.000 1.174 211 D CA -1.957 52.063 54.000 0.034 0.000 0.866 211 D CB 1.179 41.997 40.800 0.031 0.000 1.127 211 D HN 0.056 nan 8.370 nan 0.000 0.467 212 P HA -0.148 nan 4.420 nan 0.000 0.215 212 P C 0.631 177.932 177.300 0.001 0.000 1.157 212 P CA 1.385 64.484 63.100 -0.002 0.000 0.868 212 P CB 0.213 31.919 31.700 0.009 0.000 0.788 213 K N -0.767 119.638 120.400 0.008 0.000 2.442 213 K HA 0.000 4.318 4.320 -0.004 0.000 0.198 213 K C 1.243 177.847 176.600 0.005 0.000 1.044 213 K CA 1.373 57.664 56.287 0.007 0.000 0.948 213 K CB -0.311 32.195 32.500 0.010 0.000 0.762 213 K HN 0.215 nan 8.250 nan 0.000 0.472 214 E N 1.011 121.216 120.200 0.008 0.000 3.666 214 E HA 0.340 4.688 4.350 -0.004 0.000 0.230 214 E C -1.093 175.517 176.600 0.016 0.000 1.235 214 E CA -0.346 56.061 56.400 0.011 0.000 1.096 214 E CB 0.070 29.780 29.700 0.016 0.000 1.287 214 E HN 0.207 nan 8.360 nan 0.000 0.406 215 L N 1.793 123.017 121.223 0.003 0.000 2.514 215 L HA 0.399 4.736 4.340 -0.004 0.000 0.257 215 L C -2.605 174.255 176.870 -0.017 0.000 1.101 215 L CA -2.101 52.744 54.840 0.008 0.000 0.911 215 L CB 2.345 44.400 42.059 -0.007 0.000 1.162 215 L HN 0.189 nan 8.230 nan 0.000 0.477 216 P HA 0.025 nan 4.420 nan 0.000 0.260 216 P C -0.786 176.491 177.300 -0.039 0.000 1.185 216 P CA 0.334 63.421 63.100 -0.020 0.000 0.763 216 P CB 0.703 32.401 31.700 -0.003 0.000 0.776 217 L N 6.263 127.439 121.223 -0.080 0.000 2.360 217 L HA 0.288 4.625 4.340 -0.004 0.000 0.271 217 L C -0.938 175.880 176.870 -0.088 0.000 1.057 217 L CA -2.303 52.464 54.840 -0.122 0.000 0.803 217 L CB 0.838 42.752 42.059 -0.242 0.000 1.207 217 L HN 0.148 nan 8.230 nan 0.000 0.445 218 P HA -0.193 nan 4.420 nan 0.000 0.219 218 P C 0.891 178.166 177.300 -0.042 0.000 1.149 218 P CA 1.138 64.211 63.100 -0.045 0.000 0.835 218 P CB 0.181 31.857 31.700 -0.040 0.000 0.778 219 G N -2.280 106.482 108.800 -0.064 0.000 3.707 219 G HA2 0.386 4.344 3.960 -0.004 0.000 0.286 219 G HA3 0.386 4.344 3.960 -0.004 0.000 0.286 219 G C 0.895 175.777 174.900 -0.030 0.000 1.112 219 G CA 0.142 45.218 45.100 -0.040 0.000 0.861 219 G HN 0.363 nan 8.290 nan 0.000 0.534 220 G N -0.334 108.447 108.800 -0.032 0.000 2.168 220 G HA2 -0.242 3.715 3.960 -0.004 0.000 0.257 220 G HA3 -0.242 3.715 3.960 -0.004 0.000 0.257 220 G C 0.219 175.105 174.900 -0.023 0.000 0.997 220 G CA 0.257 45.345 45.100 -0.021 0.000 0.708 220 G HN 0.395 nan 8.290 nan 0.000 0.520 221 L N 0.066 121.264 121.223 -0.041 0.000 2.334 221 L HA 0.789 5.127 4.340 -0.004 0.000 0.270 221 L C 0.670 177.507 176.870 -0.054 0.000 1.018 221 L CA -0.367 54.453 54.840 -0.033 0.000 0.811 221 L CB 1.660 43.712 42.059 -0.012 0.000 1.271 221 L HN 0.219 nan 8.230 nan 0.000 0.443 222 S N 1.186 116.866 115.700 -0.034 0.000 2.442 222 S HA 0.260 4.728 4.470 -0.004 0.000 0.297 222 S C 1.250 175.818 174.600 -0.054 0.000 1.131 222 S CA -0.613 57.563 58.200 -0.040 0.000 1.092 222 S CB 0.649 63.839 63.200 -0.017 0.000 0.998 222 S HN 0.642 nan 8.310 nan 0.000 0.478 223 L N 4.398 125.566 121.223 -0.092 0.000 2.064 223 L HA -0.222 4.115 4.340 -0.004 0.000 0.234 223 L C 2.160 179.004 176.870 -0.044 0.000 1.103 223 L CA 2.207 56.975 54.840 -0.120 0.000 0.824 223 L CB -0.447 41.548 42.059 -0.107 0.000 0.919 223 L HN 0.820 nan 8.230 nan 0.000 0.447 224 L N 0.114 121.340 121.223 0.006 0.000 2.017 224 L HA -0.265 4.073 4.340 -0.004 0.000 0.208 224 L C 1.930 178.818 176.870 0.029 0.000 1.073 224 L CA 2.339 57.207 54.840 0.046 0.000 0.745 224 L CB -0.689 41.390 42.059 0.032 0.000 0.894 224 L HN 0.331 nan 8.230 nan 0.000 0.432 225 D N -1.662 118.744 120.400 0.010 0.000 2.116 225 D HA -0.303 4.334 4.640 -0.004 0.000 0.193 225 D C 1.940 178.241 176.300 0.002 0.000 0.998 225 D CA 1.960 55.964 54.000 0.006 0.000 0.836 225 D CB -0.459 40.345 40.800 0.006 0.000 0.951 225 D HN 0.471 nan 8.370 nan 0.000 0.449 226 Y N 1.008 121.198 120.300 -0.183 0.000 2.069 226 Y HA -0.313 4.234 4.550 -0.004 0.000 0.278 226 Y C 2.201 177.929 175.900 -0.287 0.000 1.175 226 Y CA 1.854 59.787 58.100 -0.278 0.000 1.134 226 Y CB -0.336 37.858 38.460 -0.445 0.000 0.965 226 Y HN 0.201 nan 8.280 nan 0.000 0.498 227 H N -0.833 118.153 119.070 -0.140 0.000 2.502 227 H HA 0.166 4.720 4.556 -0.004 0.000 0.283 227 H C 2.256 177.466 175.328 -0.195 0.000 1.015 227 H CA 0.848 56.730 56.048 -0.277 0.000 1.298 227 H CB -0.529 29.150 29.762 -0.139 0.000 1.411 227 H HN 0.507 nan 8.280 nan 0.000 0.556 228 A N 0.280 123.088 122.820 -0.020 0.000 1.897 228 A HA -0.126 4.191 4.320 -0.004 0.000 0.215 228 A C 2.582 180.126 177.584 -0.067 0.000 1.181 228 A CA 1.475 53.497 52.037 -0.026 0.000 0.620 228 A CB -0.627 18.367 19.000 -0.009 0.000 0.821 228 A HN 0.338 nan 8.150 nan 0.000 0.443 229 S N -0.674 114.967 115.700 -0.097 0.000 2.500 229 S HA -0.088 4.380 4.470 -0.004 0.000 0.239 229 S C 1.263 175.775 174.600 -0.148 0.000 0.989 229 S CA 1.241 59.376 58.200 -0.107 0.000 0.951 229 S CB -0.249 62.893 63.200 -0.097 0.000 0.759 229 S HN 0.464 nan 8.310 nan 0.000 0.523 230 K N -0.060 120.222 120.400 -0.198 0.000 2.414 230 K HA 0.248 4.566 4.320 -0.004 0.000 0.204 230 K C 1.102 177.622 176.600 -0.133 0.000 1.026 230 K CA 0.510 56.676 56.287 -0.202 0.000 1.108 230 K CB 0.278 32.579 32.500 -0.332 0.000 0.855 230 K HN 0.361 nan 8.250 nan 0.000 0.517 231 G N 2.777 111.521 108.800 -0.092 0.000 2.187 231 G HA2 -0.336 3.621 3.960 -0.004 0.000 0.261 231 G HA3 -0.336 3.621 3.960 -0.004 0.000 0.261 231 G C 1.011 175.881 174.900 -0.049 0.000 1.000 231 G CA 0.527 45.594 45.100 -0.055 0.000 0.718 231 G HN 0.256 nan 8.290 nan 0.000 0.519 232 R N -0.472 119.981 120.500 -0.078 0.000 2.090 232 R HA 0.127 4.465 4.340 -0.004 0.000 0.228 232 R C 2.513 178.807 176.300 -0.011 0.000 1.110 232 R CA 1.176 57.237 56.100 -0.065 0.000 0.973 232 R CB -0.420 29.777 30.300 -0.172 0.000 0.869 232 R HN 0.538 nan 8.270 nan 0.000 0.440 233 L N 0.970 122.189 121.223 -0.006 0.000 2.552 233 L HA -0.024 4.314 4.340 -0.004 0.000 0.227 233 L C 2.514 179.389 176.870 0.008 0.000 1.146 233 L CA 0.451 55.298 54.840 0.011 0.000 0.858 233 L CB -0.316 41.754 42.059 0.019 0.000 0.969 233 L HN 0.215 nan 8.230 nan 0.000 0.451 234 Q N 0.302 120.102 119.800 0.001 0.000 2.061 234 Q HA -0.176 4.161 4.340 -0.004 0.000 0.204 234 Q C 2.180 178.185 176.000 0.008 0.000 0.984 234 Q CA 1.828 57.632 55.803 0.002 0.000 0.846 234 Q CB -0.141 28.595 28.738 -0.003 0.000 0.902 234 Q HN 0.611 nan 8.270 nan 0.000 0.421 235 G N 0.299 109.107 108.800 0.013 0.000 2.424 235 G HA2 -0.106 3.851 3.960 -0.004 0.000 0.214 235 G HA3 -0.106 3.851 3.960 -0.004 0.000 0.214 235 G C 0.901 175.810 174.900 0.016 0.000 1.202 235 G CA 0.249 45.359 45.100 0.017 0.000 0.793 235 G HN 0.045 nan 8.290 nan 0.000 0.534 236 R N -1.074 119.438 120.500 0.020 0.000 2.888 236 R HA 0.613 4.950 4.340 -0.004 0.000 0.264 236 R C -0.810 175.502 176.300 0.020 0.000 1.045 236 R CA -0.249 55.862 56.100 0.019 0.000 0.962 236 R CB 0.801 31.113 30.300 0.020 0.000 1.210 236 R HN 0.271 nan 8.270 nan 0.000 0.479 237 E N -0.052 120.159 120.200 0.019 0.000 2.194 237 E HA 0.486 4.834 4.350 -0.004 0.000 0.284 237 E C 0.383 176.997 176.600 0.023 0.000 1.035 237 E CA -0.423 55.989 56.400 0.020 0.000 0.836 237 E CB 0.847 30.557 29.700 0.017 0.000 1.070 237 E HN 0.655 nan 8.360 nan 0.000 0.401 238 G N 1.185 110.002 108.800 0.027 0.000 2.403 238 G HA2 0.470 4.427 3.960 -0.004 0.000 0.259 238 G HA3 0.470 4.427 3.960 -0.004 0.000 0.259 238 G C 0.872 175.788 174.900 0.027 0.000 1.244 238 G CA 0.352 45.469 45.100 0.029 0.000 0.849 238 G HN 0.806 nan 8.290 nan 0.000 0.532 239 G N 1.516 110.330 108.800 0.024 0.000 3.348 239 G HA2 0.333 4.290 3.960 -0.004 0.000 0.180 239 G HA3 0.333 4.290 3.960 -0.004 0.000 0.180 239 G C 0.620 175.531 174.900 0.018 0.000 1.915 239 G CA -0.608 44.505 45.100 0.021 0.000 0.937 239 G HN 0.666 nan 8.290 nan 0.000 0.564 240 R N -1.326 119.184 120.500 0.016 0.000 2.574 240 R HA 0.485 4.823 4.340 -0.004 0.000 0.266 240 R C -0.552 175.743 176.300 -0.009 0.000 1.157 240 R CA -0.567 55.541 56.100 0.013 0.000 1.187 240 R CB 0.742 31.056 30.300 0.023 0.000 1.179 240 R HN 0.137 nan 8.270 nan 0.000 0.600 241 V N 1.325 121.225 119.914 -0.023 0.000 2.432 241 V HA 0.392 4.509 4.120 -0.004 0.000 0.271 241 V C -0.068 175.951 176.094 -0.125 0.000 1.046 241 V CA -0.528 61.708 62.300 -0.107 0.000 0.945 241 V CB 0.978 32.716 31.823 -0.142 0.000 0.992 241 V HN 0.805 nan 8.190 nan 0.000 0.471 242 A N 5.344 128.059 122.820 -0.175 0.000 2.276 242 A HA 0.630 4.947 4.320 -0.004 0.000 0.316 242 A C -1.024 176.418 177.584 -0.237 0.000 1.229 242 A CA -0.526 51.437 52.037 -0.123 0.000 0.851 242 A CB 0.346 19.284 19.000 -0.104 0.000 1.165 242 A HN 0.855 nan 8.150 nan 0.000 0.513 243 W N 2.681 123.972 121.300 -0.015 0.000 2.387 243 W HA 0.490 5.147 4.660 -0.004 0.000 0.310 243 W C 0.053 176.547 176.519 -0.040 0.000 1.181 243 W CA 0.117 57.448 57.345 -0.023 0.000 1.333 243 W CB 1.447 30.902 29.460 -0.008 0.000 1.286 243 W HN 0.486 nan 8.180 nan 0.000 0.455 244 V N 3.567 123.531 119.914 0.084 0.000 2.919 244 V HA 0.876 4.993 4.120 -0.004 0.000 0.316 244 V C -0.347 175.825 176.094 0.130 0.000 1.077 244 V CA -0.987 61.327 62.300 0.022 0.000 0.977 244 V CB 1.801 33.463 31.823 -0.268 0.000 1.039 244 V HN 0.489 nan 8.190 nan 0.000 0.441 245 A N 2.807 125.751 122.820 0.207 0.000 2.356 245 A HA 0.691 5.009 4.320 -0.004 0.000 0.323 245 A C -1.029 176.794 177.584 0.399 0.000 1.119 245 A CA -0.591 51.597 52.037 0.251 0.000 0.790 245 A CB 1.419 20.511 19.000 0.154 0.000 1.273 245 A HN 0.836 nan 8.150 nan 0.000 0.452 246 D N 1.863 122.476 120.400 0.356 0.000 2.359 246 D HA 0.453 5.090 4.640 -0.004 0.000 0.230 246 D C -1.788 174.574 176.300 0.103 0.000 1.118 246 D CA -1.727 52.450 54.000 0.295 0.000 0.844 246 D CB 1.237 42.201 40.800 0.273 0.000 1.059 246 D HN 0.102 nan 8.370 nan 0.000 0.493 247 P HA -0.291 nan 4.420 nan 0.000 0.222 247 P C 1.144 178.405 177.300 -0.064 0.000 1.154 247 P CA 2.397 65.480 63.100 -0.028 0.000 0.874 247 P CB 0.109 31.783 31.700 -0.043 0.000 0.787 248 K N -0.872 119.517 120.400 -0.019 0.000 2.362 248 K HA -0.103 4.214 4.320 -0.004 0.000 0.200 248 K C 0.989 177.617 176.600 0.046 0.000 1.046 248 K CA 1.626 57.926 56.287 0.021 0.000 0.952 248 K CB -0.619 31.911 32.500 0.051 0.000 0.753 248 K HN 0.216 nan 8.250 nan 0.000 0.466 249 D N -1.207 119.189 120.400 -0.008 0.000 2.584 249 D HA 0.105 4.742 4.640 -0.004 0.000 0.238 249 D C -2.642 173.620 176.300 -0.063 0.000 1.302 249 D CA -1.245 52.752 54.000 -0.005 0.000 0.884 249 D CB 1.714 42.639 40.800 0.209 0.000 1.456 249 D HN 0.016 nan 8.370 nan 0.000 0.528 250 P HA 0.031 nan 4.420 nan 0.000 0.242 250 P C 0.677 177.951 177.300 -0.044 0.000 1.197 250 P CA 0.088 63.118 63.100 -0.116 0.000 0.765 250 P CB 0.307 31.893 31.700 -0.191 0.000 0.936 251 R N 0.112 120.602 120.500 -0.017 0.000 2.466 251 R HA 0.210 4.548 4.340 -0.004 0.000 0.279 251 R C 0.728 177.087 176.300 0.097 0.000 0.976 251 R CA -0.056 56.086 56.100 0.069 0.000 1.081 251 R CB 0.265 30.657 30.300 0.152 0.000 1.215 251 R HN 0.069 nan 8.270 nan 0.000 0.546 252 K N 1.751 122.214 120.400 0.105 0.000 2.621 252 K HA 0.294 4.612 4.320 -0.004 0.000 0.233 252 K C -2.748 173.939 176.600 0.145 0.000 0.972 252 K CA -1.987 54.371 56.287 0.118 0.000 0.988 252 K CB 1.486 34.069 32.500 0.140 0.000 1.187 252 K HN -0.196 nan 8.250 nan 0.000 0.471 253 P HA 0.019 nan 4.420 nan 0.000 0.266 253 P C -0.750 176.790 177.300 0.401 0.000 1.193 253 P CA -0.129 63.118 63.100 0.244 0.000 0.770 253 P CB 0.482 32.194 31.700 0.019 0.000 0.836 254 I N 3.035 123.875 120.570 0.450 0.000 2.534 254 I HA 0.303 4.471 4.170 -0.004 0.000 0.288 254 I C -2.421 173.619 176.117 -0.130 0.000 1.077 254 I CA -2.881 58.534 61.300 0.193 0.000 1.051 254 I CB 2.028 40.049 38.000 0.035 0.000 1.234 254 I HN 0.178 nan 8.210 nan 0.000 0.425 255 P HA 0.353 nan 4.420 nan 0.000 0.274 255 P C -0.933 176.076 177.300 -0.485 0.000 1.246 255 P CA 0.306 62.821 63.100 -0.976 0.000 0.795 255 P CB 1.770 32.896 31.700 -0.956 0.000 1.006 256 H N -1.460 117.309 119.070 -0.501 0.000 2.849 256 H HA 0.536 5.090 4.556 -0.004 0.000 0.271 256 H C -1.334 173.872 175.328 -0.204 0.000 1.461 256 H CA -0.715 55.173 56.048 -0.267 0.000 1.146 256 H CB 0.743 30.285 29.762 -0.366 0.000 1.834 256 H HN 0.170 nan 8.280 nan 0.000 0.555 257 L N 1.467 122.845 121.223 0.258 0.000 2.385 257 L HA 0.263 4.600 4.340 -0.004 0.000 0.273 257 L C 1.283 178.162 176.870 0.015 0.000 0.990 257 L CA -0.293 54.597 54.840 0.083 0.000 0.821 257 L CB 2.130 44.242 42.059 0.088 0.000 1.279 257 L HN 0.928 nan 8.230 nan 0.000 0.412 258 T N -1.873 112.671 114.554 -0.018 0.000 2.849 258 T HA -0.137 4.210 4.350 -0.004 0.000 0.270 258 T C 1.657 176.348 174.700 -0.015 0.000 1.066 258 T CA 1.281 63.365 62.100 -0.028 0.000 1.130 258 T CB -0.255 68.613 68.868 0.001 0.000 0.864 258 T HN 0.798 nan 8.240 nan 0.000 0.481 259 G N 1.174 109.978 108.800 0.005 0.000 2.448 259 G HA2 0.137 4.095 3.960 -0.004 0.000 0.218 259 G HA3 0.137 4.095 3.960 -0.004 0.000 0.218 259 G C 1.205 176.110 174.900 0.009 0.000 1.135 259 G CA 0.107 45.214 45.100 0.012 0.000 0.784 259 G HN 0.567 nan 8.290 nan 0.000 0.543 260 L N 0.352 121.582 121.223 0.011 0.000 2.728 260 L HA 0.469 4.806 4.340 -0.004 0.000 0.235 260 L C -0.276 176.565 176.870 -0.048 0.000 1.197 260 L CA -0.069 54.801 54.840 0.049 0.000 0.992 260 L CB -0.035 42.093 42.059 0.116 0.000 1.263 260 L HN 0.052 nan 8.230 nan 0.000 0.484 261 L N -0.423 120.726 121.223 -0.124 0.000 2.409 261 L HA 0.581 4.918 4.340 -0.004 0.000 0.262 261 L C -0.807 175.981 176.870 -0.137 0.000 0.992 261 L CA -0.783 53.934 54.840 -0.205 0.000 0.817 261 L CB 2.941 44.813 42.059 -0.311 0.000 1.350 261 L HN -0.313 nan 8.230 nan 0.000 0.411 262 V N 2.031 121.859 119.914 -0.143 0.000 2.448 262 V HA 0.406 4.523 4.120 -0.004 0.000 0.295 262 V C -2.330 173.655 176.094 -0.181 0.000 1.025 262 V CA -2.058 60.153 62.300 -0.148 0.000 0.859 262 V CB 1.648 33.387 31.823 -0.140 0.000 0.988 262 V HN 0.550 nan 8.190 nan 0.000 0.431 263 P HA 0.080 nan 4.420 nan 0.000 0.266 263 P C -0.477 176.641 177.300 -0.303 0.000 1.195 263 P CA 0.071 62.973 63.100 -0.330 0.000 0.768 263 P CB 0.518 31.823 31.700 -0.659 0.000 0.838 264 V N 5.416 125.201 119.914 -0.216 0.000 2.247 264 V HA 0.143 4.260 4.120 -0.004 0.000 0.262 264 V C 0.444 176.422 176.094 -0.192 0.000 1.096 264 V CA -0.322 61.876 62.300 -0.171 0.000 0.895 264 V CB -0.392 31.373 31.823 -0.096 0.000 1.141 264 V HN 0.402 nan 8.190 nan 0.000 0.478 265 L N 4.469 125.530 121.223 -0.269 0.000 2.453 265 L HA 0.355 4.693 4.340 -0.004 0.000 0.272 265 L C 0.707 177.475 176.870 -0.169 0.000 1.182 265 L CA 0.647 55.328 54.840 -0.266 0.000 0.858 265 L CB 0.400 42.229 42.059 -0.384 0.000 1.120 265 L HN 0.557 nan 8.230 nan 0.000 0.474 266 T N 0.106 114.582 114.554 -0.130 0.000 2.858 266 T HA 0.454 4.802 4.350 -0.004 0.000 0.285 266 T C 1.366 176.009 174.700 -0.095 0.000 1.052 266 T CA -0.192 61.853 62.100 -0.091 0.000 1.009 266 T CB 1.344 70.179 68.868 -0.055 0.000 1.241 266 T HN 0.403 nan 8.240 nan 0.000 0.542 267 L N 0.382 121.564 121.223 -0.070 0.000 1.987 267 L HA -0.082 4.256 4.340 -0.004 0.000 0.230 267 L C 2.961 179.794 176.870 -0.061 0.000 1.089 267 L CA 3.429 58.229 54.840 -0.067 0.000 0.802 267 L CB -2.557 39.482 42.059 -0.033 0.000 0.905 267 L HN 1.077 nan 8.230 nan 0.000 0.441 268 E N -0.773 119.405 120.200 -0.036 0.000 2.130 268 E HA -0.343 4.005 4.350 -0.004 0.000 0.196 268 E C 1.944 178.536 176.600 -0.015 0.000 0.998 268 E CA 1.297 57.684 56.400 -0.023 0.000 0.806 268 E CB -1.312 28.378 29.700 -0.017 0.000 0.738 268 E HN 0.841 nan 8.360 nan 0.000 0.459 269 D N -1.085 119.306 120.400 -0.014 0.000 2.384 269 D HA -0.038 4.600 4.640 -0.004 0.000 0.222 269 D C 1.123 177.452 176.300 0.048 0.000 0.976 269 D CA 0.784 54.809 54.000 0.042 0.000 0.915 269 D CB 0.320 41.137 40.800 0.028 0.000 0.896 269 D HN 0.346 nan 8.370 nan 0.000 0.523 270 L N -1.249 119.941 121.223 -0.056 0.000 2.803 270 L HA 0.117 4.454 4.340 -0.004 0.000 0.246 270 L C 1.511 178.351 176.870 -0.049 0.000 1.100 270 L CA 0.247 55.023 54.840 -0.106 0.000 0.919 270 L CB -0.779 41.069 42.059 -0.352 0.000 1.285 270 L HN 0.059 nan 8.230 nan 0.000 0.522 278 A N -0.784 122.036 122.820 -0.000 0.000 2.594 278 A HA 0.750 5.068 4.320 -0.004 0.000 0.296 278 A C -0.431 177.120 177.584 -0.055 0.000 1.056 278 A CA 0.339 52.373 52.037 -0.005 0.000 0.693 278 A CB 0.713 19.730 19.000 0.028 0.000 1.278 278 A HN 0.846 nan 8.150 nan 0.000 0.408 279 L N 1.023 122.212 121.223 -0.058 0.000 2.959 279 L HA 0.273 4.611 4.340 -0.004 0.000 0.259 279 L C 0.935 177.864 176.870 0.098 0.000 1.185 279 L CA 0.295 55.072 54.840 -0.104 0.000 0.998 279 L CB 0.776 42.802 42.059 -0.055 0.000 1.337 279 L HN 0.646 nan 8.230 nan 0.000 0.555 280 S N 1.081 116.833 115.700 0.087 0.000 2.617 280 S HA 0.762 5.229 4.470 -0.004 0.000 0.283 280 S C -0.626 174.054 174.600 0.133 0.000 1.189 280 S CA -0.372 57.899 58.200 0.118 0.000 1.036 280 S CB 0.967 64.223 63.200 0.092 0.000 1.014 280 S HN 0.167 nan 8.310 nan 0.000 0.522 281 L N 4.512 125.820 121.223 0.143 0.000 2.436 281 L HA 0.516 4.853 4.340 -0.004 0.000 0.268 281 L C -2.344 174.609 176.870 0.138 0.000 0.974 281 L CA -2.233 52.685 54.840 0.129 0.000 0.826 281 L CB 2.450 44.584 42.059 0.126 0.000 1.291 281 L HN 0.547 nan 8.230 nan 0.000 0.406 282 P HA -0.098 nan 4.420 nan 0.000 0.268 282 P C 0.340 177.747 177.300 0.179 0.000 1.205 282 P CA -0.123 63.054 63.100 0.130 0.000 0.771 282 P CB 0.745 32.465 31.700 0.034 0.000 0.858 283 W N 5.950 127.311 121.300 0.101 0.000 2.283 283 W HA -0.291 4.367 4.660 -0.004 0.000 0.335 283 W C 1.877 178.416 176.519 0.033 0.000 1.313 283 W CA 2.270 59.700 57.345 0.141 0.000 1.263 283 W CB -1.536 28.034 29.460 0.183 0.000 1.141 283 W HN 0.568 nan 8.180 nan 0.000 0.468 284 E N -0.008 119.918 120.200 -0.458 0.000 2.130 284 E HA -0.346 4.002 4.350 -0.004 0.000 0.196 284 E C 2.108 178.584 176.600 -0.207 0.000 0.998 284 E CA 2.001 58.112 56.400 -0.482 0.000 0.806 284 E CB -0.324 28.954 29.700 -0.703 0.000 0.738 284 E HN 0.495 nan 8.360 nan 0.000 0.459 285 E N 0.603 120.728 120.200 -0.125 0.000 2.076 285 E HA -0.116 4.231 4.350 -0.004 0.000 0.190 285 E C 2.060 178.630 176.600 -0.050 0.000 0.979 285 E CA 0.941 57.297 56.400 -0.074 0.000 0.807 285 E CB -0.122 29.559 29.700 -0.032 0.000 0.761 285 E HN 0.101 nan 8.360 nan 0.000 0.454 286 R N 0.031 120.533 120.500 0.004 0.000 2.152 286 R HA -0.082 4.256 4.340 -0.004 0.000 0.232 286 R C 2.327 178.581 176.300 -0.076 0.000 1.117 286 R CA 1.115 57.237 56.100 0.037 0.000 0.981 286 R CB -0.065 30.343 30.300 0.181 0.000 0.870 286 R HN 0.036 nan 8.270 nan 0.000 0.451 287 R N 1.417 121.760 120.500 -0.262 0.000 2.119 287 R HA -0.102 4.236 4.340 -0.004 0.000 0.222 287 R C 2.092 178.258 176.300 -0.224 0.000 1.088 287 R CA 1.661 57.453 56.100 -0.514 0.000 0.984 287 R CB -0.089 29.842 30.300 -0.615 0.000 0.884 287 R HN 0.373 nan 8.270 nan 0.000 0.447 288 R N -0.390 120.021 120.500 -0.148 0.000 2.062 288 R HA 0.041 4.379 4.340 -0.004 0.000 0.226 288 R C 2.213 178.466 176.300 -0.079 0.000 1.125 288 R CA 0.726 56.765 56.100 -0.102 0.000 0.966 288 R CB -0.575 29.672 30.300 -0.088 0.000 0.861 288 R HN 0.025 nan 8.270 nan 0.000 0.433 289 R N 0.498 120.955 120.500 -0.072 0.000 2.127 289 R HA -0.099 4.239 4.340 -0.004 0.000 0.238 289 R C 2.374 178.634 176.300 -0.066 0.000 1.134 289 R CA 1.852 57.910 56.100 -0.072 0.000 0.975 289 R CB -0.571 29.686 30.300 -0.072 0.000 0.865 289 R HN 0.341 nan 8.270 nan 0.000 0.447 290 T N 0.302 114.837 114.554 -0.033 0.000 2.881 290 T HA -0.088 4.260 4.350 -0.004 0.000 0.270 290 T C 1.696 176.365 174.700 -0.052 0.000 1.068 290 T CA 1.133 63.245 62.100 0.019 0.000 1.131 290 T CB 0.072 69.032 68.868 0.153 0.000 0.871 290 T HN 0.250 nan 8.240 nan 0.000 0.479 291 R N 0.348 120.809 120.500 -0.063 0.000 2.128 291 R HA 0.071 4.409 4.340 -0.004 0.000 0.211 291 R C 2.453 178.665 176.300 -0.146 0.000 1.067 291 R CA 1.267 57.279 56.100 -0.146 0.000 1.010 291 R CB -0.228 30.046 30.300 -0.044 0.000 0.922 291 R HN 0.657 nan 8.270 nan 0.000 0.457 292 E N 1.200 121.345 120.200 -0.091 0.000 2.265 292 E HA -0.134 4.213 4.350 -0.004 0.000 0.196 292 E C 1.576 178.154 176.600 -0.037 0.000 0.996 292 E CA 1.110 57.473 56.400 -0.062 0.000 0.832 292 E CB -0.084 29.578 29.700 -0.064 0.000 0.756 292 E HN 0.149 nan 8.360 nan 0.000 0.491 293 I N 1.384 121.908 120.570 -0.075 0.000 2.339 293 I HA 0.008 4.176 4.170 -0.004 0.000 0.245 293 I C 2.563 178.643 176.117 -0.062 0.000 1.096 293 I CA 1.023 62.314 61.300 -0.015 0.000 1.408 293 I CB -1.573 36.389 38.000 -0.064 0.000 1.092 293 I HN 0.274 nan 8.210 nan 0.000 0.423 294 A N 1.120 123.751 122.820 -0.315 0.000 1.873 294 A HA -0.225 4.093 4.320 -0.004 0.000 0.218 294 A C 2.625 180.019 177.584 -0.316 0.000 1.193 294 A CA 2.611 54.321 52.037 -0.544 0.000 0.629 294 A CB -0.995 17.193 19.000 -1.352 0.000 0.826 294 A HN 0.427 nan 8.150 nan 0.000 0.447 295 S N -1.711 113.854 115.700 -0.225 0.000 2.359 295 S HA -0.215 4.253 4.470 -0.004 0.000 0.224 295 S C 1.491 176.045 174.600 -0.077 0.000 1.035 295 S CA 1.512 59.637 58.200 -0.125 0.000 1.018 295 S CB -0.568 62.591 63.200 -0.068 0.000 0.876 295 S HN 0.775 nan 8.310 nan 0.000 0.448 296 W N 2.043 123.248 121.300 -0.159 0.000 2.322 296 W HA -0.180 4.477 4.660 -0.004 0.000 0.326 296 W C 1.998 178.438 176.519 -0.133 0.000 1.224 296 W CA 1.258 58.527 57.345 -0.128 0.000 1.257 296 W CB -0.983 28.405 29.460 -0.119 0.000 1.174 296 W HN 0.215 nan 8.180 nan 0.000 0.460 297 I N 1.576 122.000 120.570 -0.243 0.000 2.315 297 I HA -0.167 4.001 4.170 -0.004 0.000 0.251 297 I C 2.424 178.272 176.117 -0.448 0.000 1.125 297 I CA 2.285 63.280 61.300 -0.508 0.000 1.392 297 I CB -1.220 36.703 38.000 -0.129 0.000 1.065 297 I HN 0.176 nan 8.210 nan 0.000 0.424 298 G N 0.257 108.865 108.800 -0.320 0.000 2.421 298 G HA2 -0.229 3.729 3.960 -0.004 0.000 0.216 298 G HA3 -0.229 3.729 3.960 -0.004 0.000 0.216 298 G C 1.788 176.517 174.900 -0.284 0.000 1.171 298 G CA 0.550 45.490 45.100 -0.267 0.000 0.775 298 G HN 0.305 nan 8.290 nan 0.000 0.543 299 R N 0.015 120.332 120.500 -0.305 0.000 2.073 299 R HA 0.039 4.377 4.340 -0.004 0.000 0.229 299 R C 2.538 178.630 176.300 -0.346 0.000 1.120 299 R CA 0.980 56.916 56.100 -0.274 0.000 0.967 299 R CB -0.508 29.656 30.300 -0.227 0.000 0.862 299 R HN 0.241 nan 8.270 nan 0.000 0.436 300 R N 1.456 121.626 120.500 -0.550 0.000 2.103 300 R HA -0.078 4.260 4.340 -0.004 0.000 0.242 300 R C 2.100 178.168 176.300 -0.388 0.000 1.142 300 R CA 1.445 57.193 56.100 -0.587 0.000 0.960 300 R CB -0.482 29.171 30.300 -1.077 0.000 0.858 300 R HN 0.217 nan 8.270 nan 0.000 0.439 301 L N -1.719 119.283 121.223 -0.368 0.000 2.446 301 L HA 0.295 4.632 4.340 -0.004 0.000 0.219 301 L C 1.122 177.846 176.870 -0.242 0.000 1.116 301 L CA 0.404 55.074 54.840 -0.282 0.000 0.844 301 L CB 0.046 41.929 42.059 -0.294 0.000 0.970 301 L HN 0.553 nan 8.230 nan 0.000 0.457 302 G N 0.793 109.453 108.800 -0.233 0.000 2.142 302 G HA2 -0.245 3.713 3.960 -0.004 0.000 0.225 302 G HA3 -0.245 3.713 3.960 -0.004 0.000 0.225 302 G C 0.382 175.177 174.900 -0.176 0.000 1.015 302 G CA -0.020 44.972 45.100 -0.181 0.000 0.716 302 G HN 0.298 nan 8.290 nan 0.000 0.508 303 L N -0.026 121.071 121.223 -0.209 0.000 2.741 303 L HA 0.514 4.852 4.340 -0.004 0.000 0.237 303 L C 1.669 178.487 176.870 -0.085 0.000 1.178 303 L CA 0.289 55.017 54.840 -0.186 0.000 0.973 303 L CB -0.340 41.516 42.059 -0.338 0.000 1.255 303 L HN 1.103 nan 8.230 nan 0.000 0.498 304 G N 0.236 108.982 108.800 -0.090 0.000 2.545 304 G HA2 -0.215 3.743 3.960 -0.004 0.000 0.216 304 G HA3 -0.215 3.743 3.960 -0.004 0.000 0.216 304 G C -0.313 174.547 174.900 -0.068 0.000 1.314 304 G CA -0.492 44.573 45.100 -0.059 0.000 0.906 304 G HN 0.034 nan 8.290 nan 0.000 0.563 305 T N 4.128 118.658 114.554 -0.040 0.000 2.795 305 T HA 0.667 5.015 4.350 -0.004 0.000 0.282 305 T C -2.036 172.654 174.700 -0.016 0.000 0.980 305 T CA -0.339 61.739 62.100 -0.037 0.000 1.012 305 T CB 1.953 70.807 68.868 -0.022 0.000 0.936 305 T HN 0.643 nan 8.240 nan 0.000 0.457 306 P HA 0.429 nan 4.420 nan 0.000 0.278 306 P C -0.846 176.525 177.300 0.119 0.000 1.238 306 P CA -0.441 62.683 63.100 0.040 0.000 0.794 306 P CB 1.043 32.699 31.700 -0.073 0.000 0.955 307 E N 1.630 121.934 120.200 0.173 0.000 2.224 307 E HA 0.538 4.886 4.350 -0.004 0.000 0.265 307 E C -1.100 175.576 176.600 0.126 0.000 0.878 307 E CA -1.093 55.385 56.400 0.131 0.000 0.759 307 E CB 1.401 31.144 29.700 0.072 0.000 1.164 307 E HN 0.472 nan 8.360 nan 0.000 0.414 308 A N 3.782 126.632 122.820 0.051 0.000 2.520 308 A HA 0.340 4.658 4.320 -0.004 0.000 0.245 308 A C -0.209 177.345 177.584 -0.049 0.000 1.072 308 A CA -0.367 51.563 52.037 -0.179 0.000 0.761 308 A CB 0.250 19.065 19.000 -0.309 0.000 1.004 308 A HN 0.469 nan 8.150 nan 0.000 0.499 309 V N 5.652 125.484 119.914 -0.137 0.000 2.389 309 V HA 0.157 4.275 4.120 -0.004 0.000 0.264 309 V C 0.837 176.978 176.094 0.079 0.000 1.049 309 V CA -0.061 62.224 62.300 -0.024 0.000 0.932 309 V CB 0.172 31.946 31.823 -0.082 0.000 1.011 309 V HN 0.938 nan 8.190 nan 0.000 0.475 310 R N 3.034 123.576 120.500 0.070 0.000 2.528 310 R HA 0.795 5.132 4.340 -0.004 0.000 0.271 310 R C -0.179 176.071 176.300 -0.083 0.000 1.056 310 R CA -0.277 55.796 56.100 -0.044 0.000 1.117 310 R CB 1.347 31.573 30.300 -0.124 0.000 1.085 310 R HN 0.772 nan 8.270 nan 0.000 0.530 311 A N 0.797 123.528 122.820 -0.149 0.000 2.486 311 A HA 0.538 4.855 4.320 -0.004 0.000 0.300 311 A C -0.709 176.743 177.584 -0.220 0.000 1.048 311 A CA -0.725 51.222 52.037 -0.149 0.000 0.696 311 A CB 1.641 20.567 19.000 -0.124 0.000 1.278 311 A HN 0.695 nan 8.150 nan 0.000 0.405 312 Q N 0.036 119.693 119.800 -0.238 0.000 2.314 312 Q HA 0.680 5.017 4.340 -0.004 0.000 0.258 312 Q C -0.020 175.673 176.000 -0.512 0.000 0.954 312 Q CA -0.080 55.508 55.803 -0.359 0.000 0.890 312 Q CB 1.049 29.594 28.738 -0.322 0.000 1.210 312 Q HN 2.537 nan 8.270 nan 0.000 0.410 313 A N 1.665 124.103 122.820 -0.637 0.000 2.515 313 A HA 0.806 5.124 4.320 -0.004 0.000 0.298 313 A C -1.601 175.554 177.584 -0.715 0.000 1.059 313 A CA -0.630 51.032 52.037 -0.625 0.000 0.698 313 A CB 1.372 20.167 19.000 -0.341 0.000 1.289 313 A HN 0.867 nan 8.150 nan 0.000 0.404 314 Y N 0.633 120.872 120.300 -0.101 0.000 2.326 314 Y HA 0.566 5.114 4.550 -0.003 0.000 0.331 314 Y C 0.514 176.411 175.900 -0.005 0.000 0.962 314 Y CA -0.696 57.390 58.100 -0.024 0.000 1.167 314 Y CB 1.504 39.998 38.460 0.056 0.000 1.148 314 Y HN 0.823 nan 8.280 nan 0.000 0.463 315 R N 3.532 124.077 120.500 0.075 0.000 2.370 315 R HA 0.398 4.735 4.340 -0.004 0.000 0.309 315 R C -1.345 174.979 176.300 0.039 0.000 1.059 315 R CA -0.087 56.024 56.100 0.018 0.000 0.981 315 R CB 0.102 30.398 30.300 -0.006 0.000 0.972 315 R HN 0.774 nan 8.270 nan 0.000 0.437 316 L N 3.308 124.533 121.223 0.003 0.000 2.453 316 L HA 0.216 4.554 4.340 -0.004 0.000 0.261 316 L C 0.453 177.436 176.870 0.188 0.000 1.179 316 L CA -0.511 54.371 54.840 0.069 0.000 0.813 316 L CB 1.154 43.238 42.059 0.042 0.000 1.110 316 L HN 0.912 nan 8.230 nan 0.000 0.466 317 S N 1.868 117.736 115.700 0.281 0.000 2.549 317 S HA 0.307 4.775 4.470 -0.004 0.000 0.279 317 S C 0.071 174.915 174.600 0.406 0.000 1.321 317 S CA -0.971 57.414 58.200 0.309 0.000 1.054 317 S CB 0.426 63.802 63.200 0.294 0.000 0.899 317 S HN 0.295 nan 8.310 nan 0.000 0.497 318 I N 4.249 124.970 120.570 0.253 0.000 2.828 318 I HA 0.067 4.234 4.170 -0.004 0.000 0.292 318 I C -1.488 174.608 176.117 -0.035 0.000 1.206 318 I CA -1.819 59.566 61.300 0.142 0.000 1.420 318 I CB -1.292 36.754 38.000 0.077 0.000 1.368 318 I HN 0.545 nan 8.210 nan 0.000 0.556 319 P HA 0.050 nan 4.420 nan 0.000 0.268 319 P C -0.473 176.559 177.300 -0.446 0.000 1.205 319 P CA -0.417 62.124 63.100 -0.931 0.000 0.771 319 P CB 0.701 31.616 31.700 -1.308 0.000 0.858 320 K N 2.063 122.267 120.400 -0.326 0.000 2.307 320 K HA 0.326 4.643 4.320 -0.004 0.000 0.240 320 K C 0.213 176.731 176.600 -0.137 0.000 1.214 320 K CA -0.064 56.134 56.287 -0.148 0.000 1.149 320 K CB -1.236 31.232 32.500 -0.053 0.000 1.668 320 K HN 0.431 nan 8.250 nan 0.000 0.314 321 L N 1.898 123.023 121.223 -0.163 0.000 2.490 321 L HA 0.498 4.836 4.340 -0.004 0.000 0.274 321 L C 0.159 177.001 176.870 -0.048 0.000 1.201 321 L CA 0.546 55.318 54.840 -0.114 0.000 0.869 321 L CB -0.133 41.882 42.059 -0.074 0.000 1.123 321 L HN 0.799 nan 8.230 nan 0.000 0.484 322 M N 2.467 122.048 119.600 -0.032 0.000 2.365 322 M HA 0.608 5.086 4.480 -0.004 0.000 0.288 322 M C 0.386 176.735 176.300 0.082 0.000 1.152 322 M CA 0.091 55.407 55.300 0.026 0.000 0.948 322 M CB 1.888 34.516 32.600 0.047 0.000 1.729 322 M HN 0.931 nan 8.290 nan 0.000 0.487 323 G N 2.174 111.048 108.800 0.124 0.000 2.766 323 G HA2 0.150 4.108 3.960 -0.004 0.000 0.206 323 G HA3 0.150 4.108 3.960 -0.004 0.000 0.206 323 G C 0.596 175.632 174.900 0.226 0.000 2.072 323 G CA 0.227 45.449 45.100 0.203 0.000 0.798 323 G HN 0.706 nan 8.290 nan 0.000 0.703 324 R N -0.283 120.270 120.500 0.088 0.000 2.080 324 R HA 0.292 4.629 4.340 -0.004 0.000 0.222 324 R C 0.754 177.072 176.300 0.029 0.000 1.107 324 R CA 0.611 56.724 56.100 0.020 0.000 0.980 324 R CB 0.014 30.282 30.300 -0.053 0.000 0.879 324 R HN 0.285 nan 8.270 nan 0.000 0.439 325 R N -0.807 119.708 120.500 0.025 0.000 2.795 325 R HA 0.559 4.896 4.340 -0.004 0.000 0.275 325 R C -1.180 175.136 176.300 0.027 0.000 0.981 325 R CA -0.545 55.567 56.100 0.021 0.000 0.917 325 R CB 1.764 32.062 30.300 -0.003 0.000 1.202 325 R HN 0.207 nan 8.270 nan 0.000 0.469 326 A N 1.711 124.546 122.820 0.024 0.000 2.583 326 A HA 0.169 4.487 4.320 -0.004 0.000 0.249 326 A C 0.030 177.619 177.584 0.008 0.000 1.035 326 A CA 0.281 52.328 52.037 0.016 0.000 0.777 326 A CB -0.289 18.718 19.000 0.010 0.000 0.942 326 A HN 0.359 nan 8.150 nan 0.000 0.516 327 V N 2.933 122.851 119.914 0.007 0.000 2.919 327 V HA 0.479 4.596 4.120 -0.004 0.000 0.316 327 V C 1.280 177.379 176.094 0.008 0.000 1.077 327 V CA 0.124 62.425 62.300 0.002 0.000 0.977 327 V CB 1.746 33.571 31.823 0.004 0.000 1.039 327 V HN 1.177 nan 8.190 nan 0.000 0.441 328 S N 1.840 117.544 115.700 0.007 0.000 2.355 328 S HA 0.121 4.589 4.470 -0.004 0.000 0.216 328 S C 0.608 175.260 174.600 0.085 0.000 1.037 328 S CA 0.194 58.414 58.200 0.034 0.000 0.955 328 S CB -0.116 63.094 63.200 0.015 0.000 0.877 328 S HN 0.824 nan 8.310 nan 0.000 0.488 329 K N 0.757 121.150 120.400 -0.011 0.000 2.280 329 K HA 0.537 4.855 4.320 -0.004 0.000 0.234 329 K C -2.823 173.707 176.600 -0.117 0.000 1.028 329 K CA -2.148 54.078 56.287 -0.101 0.000 0.882 329 K CB 0.923 33.233 32.500 -0.318 0.000 1.194 329 K HN -0.146 nan 8.250 nan 0.000 0.458 330 P HA 0.000 nan 4.420 nan 0.000 0.227 330 P C 0.928 178.131 177.300 -0.162 0.000 1.161 330 P CA 1.002 64.037 63.100 -0.109 0.000 0.788 330 P CB 0.117 31.764 31.700 -0.088 0.000 0.822 331 A N 0.262 122.874 122.820 -0.347 0.000 1.933 331 A HA -0.180 4.137 4.320 -0.004 0.000 0.218 331 A C 1.502 178.963 177.584 -0.204 0.000 1.175 331 A CA 1.653 53.462 52.037 -0.381 0.000 0.628 331 A CB -1.427 17.014 19.000 -0.931 0.000 0.814 331 A HN 0.063 nan 8.150 nan 0.000 0.444 332 D N -0.137 120.150 120.400 -0.189 0.000 2.403 332 D HA 0.284 4.921 4.640 -0.004 0.000 0.260 332 D C 1.233 177.495 176.300 -0.064 0.000 1.243 332 D CA 0.806 54.742 54.000 -0.107 0.000 0.918 332 D CB 0.019 40.764 40.800 -0.091 0.000 0.939 332 D HN 0.452 nan 8.370 nan 0.000 0.507 333 A N -0.744 122.056 122.820 -0.034 0.000 2.167 333 A HA 0.151 4.469 4.320 -0.004 0.000 0.208 333 A C 1.976 179.508 177.584 -0.087 0.000 1.198 333 A CA -0.131 51.907 52.037 0.002 0.000 0.863 333 A CB 0.044 19.150 19.000 0.177 0.000 0.904 333 A HN 0.234 nan 8.150 nan 0.000 0.484 334 L N -0.686 120.531 121.223 -0.010 0.000 2.156 334 L HA -0.106 4.232 4.340 -0.004 0.000 0.208 334 L C 3.032 179.858 176.870 -0.073 0.000 1.095 334 L CA 1.356 56.192 54.840 -0.006 0.000 0.770 334 L CB -0.253 41.855 42.059 0.081 0.000 0.914 334 L HN 0.488 nan 8.230 nan 0.000 0.439 335 R N -0.849 119.613 120.500 -0.063 0.000 2.334 335 R HA 0.281 4.619 4.340 -0.004 0.000 0.216 335 R C 1.303 177.552 176.300 -0.084 0.000 0.905 335 R CA 0.757 56.825 56.100 -0.053 0.000 1.064 335 R CB -0.522 29.766 30.300 -0.020 0.000 1.046 335 R HN 0.227 nan 8.270 nan 0.000 0.508 336 V N -1.778 118.060 119.914 -0.128 0.000 3.480 336 V HA 0.511 4.629 4.120 -0.004 0.000 0.263 336 V C 1.008 176.981 176.094 -0.202 0.000 1.442 336 V CA 0.483 62.708 62.300 -0.125 0.000 1.053 336 V CB 0.605 32.380 31.823 -0.079 0.000 0.846 336 V HN 1.034 nan 8.190 nan 0.000 0.440 337 G N 0.646 109.230 108.800 -0.360 0.000 2.541 337 G HA2 -0.041 3.916 3.960 -0.004 0.000 0.686 337 G HA3 -0.041 3.916 3.960 -0.004 0.000 0.686 337 G C -0.871 173.718 174.900 -0.518 0.000 1.286 337 G CA -0.626 44.111 45.100 -0.606 0.000 0.894 337 G HN 0.168 nan 8.290 nan 0.000 0.575 338 F N -0.940 118.945 119.950 -0.108 0.000 2.509 338 F HA 0.678 5.202 4.527 -0.004 0.000 0.334 338 F C 1.323 177.116 175.800 -0.011 0.000 1.060 338 F CA -0.753 57.212 58.000 -0.058 0.000 0.997 338 F CB 0.896 39.838 39.000 -0.098 0.000 1.271 338 F HN 0.595 nan 8.300 nan 0.000 0.488 339 Y N 1.001 121.402 120.300 0.169 0.000 2.079 339 Y HA -0.005 4.542 4.550 -0.004 0.000 0.267 339 Y C 1.487 177.429 175.900 0.071 0.000 1.104 339 Y CA 1.528 59.676 58.100 0.080 0.000 1.086 339 Y CB 0.069 38.561 38.460 0.054 0.000 0.989 339 Y HN 0.336 nan 8.280 nan 0.000 0.477 340 R N 1.475 122.052 120.500 0.127 0.000 3.559 340 R HA 0.455 4.793 4.340 -0.004 0.000 0.273 340 R C -0.878 175.460 176.300 0.063 0.000 1.423 340 R CA -0.095 56.021 56.100 0.027 0.000 1.581 340 R CB -0.401 29.986 30.300 0.146 0.000 1.338 340 R HN 0.363 nan 8.270 nan 0.000 0.667 341 A N 2.287 125.157 122.820 0.082 0.000 2.386 341 A HA 0.169 4.487 4.320 -0.004 0.000 0.248 341 A C -0.110 177.534 177.584 0.099 0.000 1.082 341 A CA -0.102 52.008 52.037 0.121 0.000 0.789 341 A CB 0.472 19.576 19.000 0.175 0.000 1.025 341 A HN 0.692 nan 8.150 nan 0.000 0.490 342 Q N 0.770 120.653 119.800 0.138 0.000 2.379 342 Q HA 0.467 4.805 4.340 -0.004 0.000 0.278 342 Q C -0.861 175.253 176.000 0.190 0.000 1.068 342 Q CA -0.820 55.057 55.803 0.124 0.000 0.816 342 Q CB 1.520 30.308 28.738 0.083 0.000 1.387 342 Q HN 0.824 nan 8.270 nan 0.000 0.413 343 E N 1.648 121.930 120.200 0.136 0.000 2.351 343 E HA 0.220 4.567 4.350 -0.004 0.000 0.266 343 E C -1.047 175.600 176.600 0.078 0.000 1.031 343 E CA 0.434 56.901 56.400 0.112 0.000 0.911 343 E CB 0.838 30.570 29.700 0.052 0.000 0.986 343 E HN 0.530 nan 8.360 nan 0.000 0.446 344 T N 2.758 117.346 114.554 0.056 0.000 2.903 344 T HA 0.682 5.029 4.350 -0.004 0.000 0.299 344 T C -1.165 173.488 174.700 -0.080 0.000 1.093 344 T CA -0.381 61.735 62.100 0.027 0.000 1.002 344 T CB 1.707 70.638 68.868 0.104 0.000 1.127 344 T HN 0.675 nan 8.240 nan 0.000 0.488 345 A N 2.754 125.543 122.820 -0.053 0.000 2.355 345 A HA 0.967 5.285 4.320 -0.004 0.000 0.324 345 A C -1.030 176.523 177.584 -0.052 0.000 1.117 345 A CA -0.838 51.128 52.037 -0.119 0.000 0.785 345 A CB 0.763 19.727 19.000 -0.061 0.000 1.254 345 A HN 0.954 nan 8.150 nan 0.000 0.453 346 L N -0.546 120.631 121.223 -0.077 0.000 2.641 346 L HA 0.830 5.168 4.340 -0.004 0.000 0.261 346 L C -0.627 176.357 176.870 0.190 0.000 0.926 346 L CA -0.630 54.250 54.840 0.068 0.000 0.917 346 L CB 1.031 43.154 42.059 0.105 0.000 1.361 346 L HN 0.936 nan 8.230 nan 0.000 0.417 347 A N 4.006 126.939 122.820 0.189 0.000 2.281 347 A HA 0.894 5.212 4.320 -0.004 0.000 0.329 347 A C -0.286 177.267 177.584 -0.053 0.000 1.122 347 A CA -0.772 51.389 52.037 0.207 0.000 0.850 347 A CB 1.695 20.804 19.000 0.181 0.000 1.207 347 A HN 0.988 nan 8.150 nan 0.000 0.495 348 L N -0.975 119.970 121.223 -0.463 0.000 2.376 348 L HA 0.830 5.167 4.340 -0.004 0.000 0.267 348 L C -0.584 176.100 176.870 -0.310 0.000 1.035 348 L CA -0.800 53.689 54.840 -0.586 0.000 0.800 348 L CB 1.342 42.679 42.059 -1.203 0.000 1.290 348 L HN 0.597 nan 8.230 nan 0.000 0.462 349 L N 1.793 122.884 121.223 -0.218 0.000 2.625 349 L HA 0.431 4.769 4.340 -0.004 0.000 0.255 349 L C -0.083 176.732 176.870 -0.091 0.000 1.493 349 L CA -0.469 54.318 54.840 -0.087 0.000 0.796 349 L CB 0.323 42.390 42.059 0.012 0.000 1.064 349 L HN 0.762 nan 8.230 nan 0.000 0.516 350 R N 1.642 122.058 120.500 -0.140 0.000 2.549 350 R HA 0.040 4.378 4.340 -0.004 0.000 0.336 350 R C -0.348 175.916 176.300 -0.061 0.000 0.891 350 R CA 0.572 56.606 56.100 -0.109 0.000 1.102 350 R CB 0.140 30.367 30.300 -0.121 0.000 0.899 350 R HN 0.524 nan 8.270 nan 0.000 0.407 351 L N 5.875 127.068 121.223 -0.050 0.000 2.825 351 L HA 0.200 4.537 4.340 -0.004 0.000 0.236 351 L C -0.209 176.640 176.870 -0.035 0.000 1.301 351 L CA -0.325 54.490 54.840 -0.041 0.000 0.977 351 L CB -0.013 42.020 42.059 -0.043 0.000 1.300 351 L HN 0.791 nan 8.230 nan 0.000 0.486 352 D N -1.060 119.320 120.400 -0.034 0.000 3.125 352 D HA 0.214 4.851 4.640 -0.004 0.000 0.156 352 D C 1.025 177.308 176.300 -0.028 0.000 1.251 352 D CA 0.525 54.510 54.000 -0.025 0.000 1.553 352 D CB 0.475 41.263 40.800 -0.019 0.000 1.393 352 D HN 0.015 nan 8.370 nan 0.000 0.179 353 G N 0.167 108.951 108.800 -0.027 0.000 2.831 353 G HA2 0.495 4.452 3.960 -0.004 0.000 0.200 353 G HA3 0.495 4.452 3.960 -0.004 0.000 0.200 353 G C 0.650 175.529 174.900 -0.035 0.000 1.130 353 G CA 0.682 45.765 45.100 -0.028 0.000 0.678 353 G HN 0.662 nan 8.290 nan 0.000 0.795 354 A N -0.539 122.263 122.820 -0.030 0.000 2.310 354 A HA 0.666 4.984 4.320 -0.004 0.000 0.260 354 A C 0.272 177.829 177.584 -0.045 0.000 1.112 354 A CA 0.948 52.967 52.037 -0.031 0.000 0.804 354 A CB -0.107 18.883 19.000 -0.017 0.000 1.081 354 A HN 1.171 nan 8.150 nan 0.000 0.499 355 Q N -0.757 119.021 119.800 -0.036 0.000 2.310 355 Q HA 0.610 4.948 4.340 -0.004 0.000 0.270 355 Q C 0.155 176.163 176.000 0.014 0.000 1.025 355 Q CA 0.172 55.958 55.803 -0.029 0.000 0.772 355 Q CB 0.922 29.621 28.738 -0.065 0.000 1.253 355 Q HN 2.880 nan 8.270 nan 0.000 0.450 356 G N 0.200 108.981 108.800 -0.032 0.000 2.462 356 G HA2 0.114 4.072 3.960 -0.004 0.000 0.685 356 G HA3 0.114 4.072 3.960 -0.004 0.000 0.685 356 G C -0.965 173.874 174.900 -0.102 0.000 1.295 356 G CA -0.394 44.699 45.100 -0.010 0.000 0.941 356 G HN 1.148 nan 8.290 nan 0.000 0.554 357 W N 0.117 121.382 121.300 -0.057 0.000 2.253 357 W HA 0.632 5.290 4.660 -0.004 0.000 0.348 357 W C -1.571 174.850 176.519 -0.163 0.000 1.229 357 W CA -1.443 55.828 57.345 -0.123 0.000 1.335 357 W CB -0.497 28.873 29.460 -0.150 0.000 1.165 357 W HN 0.559 nan 8.180 nan 0.000 0.631 358 P HA 0.065 nan 4.420 nan 0.000 0.277 358 P C 0.834 178.025 177.300 -0.181 0.000 1.276 358 P CA -0.337 62.674 63.100 -0.148 0.000 0.788 358 P CB 0.676 32.160 31.700 -0.361 0.000 1.114 359 E N 0.192 120.359 120.200 -0.056 0.000 2.023 359 E HA -0.250 4.098 4.350 -0.004 0.000 0.196 359 E C 1.739 178.302 176.600 -0.062 0.000 1.003 359 E CA 1.453 57.855 56.400 0.003 0.000 0.809 359 E CB -1.034 28.732 29.700 0.109 0.000 0.755 359 E HN 0.520 nan 8.360 nan 0.000 0.449 360 F N 0.910 120.794 119.950 -0.110 0.000 2.084 360 F HA 0.012 4.537 4.527 -0.004 0.000 0.296 360 F C 2.464 178.175 175.800 -0.147 0.000 1.111 360 F CA 0.439 58.352 58.000 -0.144 0.000 1.224 360 F CB -0.735 38.109 39.000 -0.259 0.000 0.991 360 F HN -0.045 nan 8.300 nan 0.000 0.471 361 L N 1.013 121.401 121.223 -1.391 0.000 2.123 361 L HA -0.343 3.994 4.340 -0.004 0.000 0.217 361 L C 3.128 179.830 176.870 -0.280 0.000 1.081 361 L CA 2.325 56.719 54.840 -0.743 0.000 0.772 361 L CB -0.604 41.018 42.059 -0.728 0.000 0.890 361 L HN 0.431 nan 8.230 nan 0.000 0.437 362 R N 0.114 120.428 120.500 -0.309 0.000 2.115 362 R HA -0.116 4.221 4.340 -0.004 0.000 0.226 362 R C 2.063 178.247 176.300 -0.195 0.000 1.100 362 R CA 1.493 57.384 56.100 -0.349 0.000 0.980 362 R CB -1.056 29.027 30.300 -0.363 0.000 0.875 362 R HN 0.561 nan 8.270 nan 0.000 0.445 363 R N 0.080 120.527 120.500 -0.089 0.000 2.078 363 R HA 0.126 4.464 4.340 -0.004 0.000 0.224 363 R C 2.827 179.166 176.300 0.065 0.000 1.149 363 R CA 1.119 57.219 56.100 -0.000 0.000 0.916 363 R CB -0.881 29.453 30.300 0.057 0.000 0.821 363 R HN 0.393 nan 8.270 nan 0.000 0.434 364 A N 2.198 125.111 122.820 0.154 0.000 1.957 364 A HA -0.253 4.064 4.320 -0.004 0.000 0.224 364 A C 2.280 179.985 177.584 0.202 0.000 1.287 364 A CA 1.922 54.108 52.037 0.248 0.000 0.682 364 A CB -0.844 18.428 19.000 0.453 0.000 0.833 364 A HN 0.236 nan 8.150 nan 0.000 0.482 365 L N -1.234 120.083 121.223 0.156 0.000 1.994 365 L HA -0.143 4.195 4.340 -0.004 0.000 0.208 365 L C 2.682 179.707 176.870 0.258 0.000 1.071 365 L CA 1.523 56.484 54.840 0.202 0.000 0.745 365 L CB -1.356 40.704 42.059 0.003 0.000 0.892 365 L HN 0.357 nan 8.230 nan 0.000 0.431 366 L N -0.473 120.797 121.223 0.078 0.000 2.027 366 L HA -0.189 4.149 4.340 -0.004 0.000 0.206 366 L C 2.670 179.607 176.870 0.110 0.000 1.074 366 L CA 1.372 56.253 54.840 0.069 0.000 0.745 366 L CB -1.108 40.933 42.059 -0.029 0.000 0.898 366 L HN 0.359 nan 8.230 nan 0.000 0.433 367 R N -0.203 120.343 120.500 0.078 0.000 2.154 367 R HA -0.209 4.129 4.340 -0.004 0.000 0.248 367 R C 2.090 178.392 176.300 0.004 0.000 1.155 367 R CA 1.677 57.805 56.100 0.048 0.000 0.979 367 R CB 0.037 30.378 30.300 0.068 0.000 0.869 367 R HN 0.379 nan 8.270 nan 0.000 0.452 368 A N -0.306 122.524 122.820 0.016 0.000 1.911 368 A HA 0.025 4.343 4.320 -0.004 0.000 0.212 368 A C 1.128 178.504 177.584 -0.348 0.000 1.189 368 A CA 0.260 52.169 52.037 -0.214 0.000 0.639 368 A CB -0.167 18.721 19.000 -0.187 0.000 0.839 368 A HN 0.293 nan 8.150 nan 0.000 0.449 369 F N 1.048 120.941 119.950 -0.096 0.000 2.706 369 F HA 0.352 4.877 4.527 -0.004 0.000 0.315 369 F C 1.202 176.958 175.800 -0.074 0.000 1.286 369 F CA 0.545 58.516 58.000 -0.048 0.000 1.424 369 F CB -0.443 38.566 39.000 0.016 0.000 1.262 369 F HN 0.261 nan 8.300 nan 0.000 0.547 374 A N 0.349 123.232 122.820 0.105 0.000 2.645 374 A HA 0.457 4.774 4.320 -0.004 0.000 0.233 374 A C 1.013 178.761 177.584 0.274 0.000 1.100 374 A CA 1.510 53.648 52.037 0.167 0.000 0.793 374 A CB -0.411 18.706 19.000 0.194 0.000 1.028 374 A HN 2.018 nan 8.150 nan 0.000 0.516 375 S N -0.340 115.458 115.700 0.164 0.000 2.704 375 S HA 0.760 5.228 4.470 -0.004 0.000 0.305 375 S C -0.511 173.941 174.600 -0.248 0.000 1.107 375 S CA -0.724 57.493 58.200 0.028 0.000 0.993 375 S CB 1.288 64.470 63.200 -0.031 0.000 1.110 375 S HN 1.243 nan 8.310 nan 0.000 0.534 376 L N 0.109 120.998 121.223 -0.558 0.000 2.304 376 L HA 0.927 5.264 4.340 -0.004 0.000 0.268 376 L C 0.064 176.672 176.870 -0.437 0.000 1.010 376 L CA -0.388 53.991 54.840 -0.768 0.000 0.813 376 L CB 1.596 42.895 42.059 -1.266 0.000 1.315 376 L HN 1.137 nan 8.230 nan 0.000 0.445 377 R N 2.503 122.749 120.500 -0.423 0.000 2.510 377 R HA 0.724 5.062 4.340 -0.004 0.000 0.294 377 R C -2.134 173.859 176.300 -0.511 0.000 1.056 377 R CA -0.432 55.438 56.100 -0.384 0.000 0.918 377 R CB 0.414 30.532 30.300 -0.304 0.000 1.187 377 R HN 0.510 nan 8.270 nan 0.000 0.437 378 L N 4.443 125.403 121.223 -0.438 0.000 2.280 378 L HA 0.586 4.923 4.340 -0.004 0.000 0.287 378 L C 0.227 177.087 176.870 -0.017 0.000 1.023 378 L CA -0.830 53.828 54.840 -0.304 0.000 0.819 378 L CB 1.256 42.908 42.059 -0.678 0.000 1.212 378 L HN 0.737 nan 8.230 nan 0.000 0.420 379 H N 1.014 120.248 119.070 0.272 0.000 2.994 379 H HA 0.757 5.311 4.556 -0.004 0.000 0.276 379 H C -0.587 174.866 175.328 0.208 0.000 1.575 379 H CA -1.030 55.121 56.048 0.170 0.000 1.583 379 H CB 1.632 31.426 29.762 0.053 0.000 1.735 379 H HN 0.377 nan 8.280 nan 0.000 0.901 380 T N 1.418 116.073 114.554 0.169 0.000 3.172 380 T HA 0.267 4.615 4.350 -0.004 0.000 0.320 380 T C -0.164 174.507 174.700 -0.048 0.000 1.085 380 T CA -0.724 61.378 62.100 0.003 0.000 1.052 380 T CB 1.114 69.987 68.868 0.009 0.000 1.107 380 T HN 0.217 nan 8.240 nan 0.000 0.458 381 L N 3.580 124.794 121.223 -0.013 0.000 2.369 381 L HA 0.309 4.646 4.340 -0.004 0.000 0.279 381 L C 1.458 178.413 176.870 0.141 0.000 1.108 381 L CA -0.272 54.575 54.840 0.011 0.000 0.852 381 L CB 0.344 42.409 42.059 0.010 0.000 1.169 381 L HN 0.858 nan 8.230 nan 0.000 0.452 382 H N 2.064 121.129 119.070 -0.007 0.000 2.551 382 H HA 0.168 4.721 4.556 -0.004 0.000 0.266 382 H C 0.973 176.323 175.328 0.037 0.000 0.964 382 H CA -0.132 55.920 56.048 0.007 0.000 1.180 382 H CB 0.676 30.437 29.762 -0.001 0.000 1.408 382 H HN 0.747 nan 8.280 nan 0.000 0.563 383 A N 0.699 123.631 122.820 0.187 0.000 2.322 383 A HA 0.447 4.764 4.320 -0.004 0.000 0.269 383 A C 0.264 177.979 177.584 0.217 0.000 1.094 383 A CA 0.120 52.274 52.037 0.195 0.000 0.807 383 A CB -0.223 18.929 19.000 0.253 0.000 1.047 383 A HN 0.601 nan 8.150 nan 0.000 0.487 384 H N 0.470 119.609 119.070 0.116 0.000 2.499 384 H HA 0.562 5.116 4.556 -0.004 0.000 0.352 384 H C -2.405 172.903 175.328 -0.034 0.000 1.237 384 H CA -1.546 54.519 56.048 0.028 0.000 1.343 384 H CB -0.193 29.556 29.762 -0.023 0.000 1.578 384 H HN 0.551 nan 8.280 nan 0.000 0.577 385 P HA 0.156 nan 4.420 nan 0.000 0.245 385 P C 0.795 177.877 177.300 -0.362 0.000 1.206 385 P CA 1.477 64.150 63.100 -0.711 0.000 0.781 385 P CB 0.348 31.482 31.700 -0.943 0.000 0.994 386 S N -0.521 115.073 115.700 -0.177 0.000 2.704 386 S HA 0.447 4.915 4.470 -0.004 0.000 0.241 386 S C 0.882 175.457 174.600 -0.041 0.000 1.264 386 S CA -0.101 58.040 58.200 -0.099 0.000 1.236 386 S CB -1.063 62.090 63.200 -0.078 0.000 0.928 386 S HN 0.096 nan 8.310 nan 0.000 0.492 387 Q N -0.024 119.770 119.800 -0.010 0.000 2.563 387 Q HA 0.627 4.964 4.340 -0.004 0.000 0.367 387 Q C 1.330 177.377 176.000 0.077 0.000 0.845 387 Q CA 0.072 55.898 55.803 0.039 0.000 1.077 387 Q CB -0.745 28.032 28.738 0.065 0.000 1.409 387 Q HN 1.079 nan 8.270 nan 0.000 0.396 388 G N 1.027 109.856 108.800 0.049 0.000 2.917 388 G HA2 -0.399 3.558 3.960 -0.004 0.000 0.249 388 G HA3 -0.399 3.558 3.960 -0.004 0.000 0.249 388 G C 1.459 176.415 174.900 0.094 0.000 1.101 388 G CA 1.659 46.800 45.100 0.067 0.000 0.732 388 G HN 0.935 nan 8.290 nan 0.000 0.650 389 L N -0.014 121.249 121.223 0.067 0.000 2.162 389 L HA 0.349 4.687 4.340 -0.004 0.000 0.205 389 L C 3.157 180.064 176.870 0.060 0.000 1.086 389 L CA 1.472 56.345 54.840 0.054 0.000 0.778 389 L CB -0.333 41.745 42.059 0.032 0.000 0.928 389 L HN 0.330 nan 8.230 nan 0.000 0.446 390 A N 0.172 123.038 122.820 0.077 0.000 1.841 390 A HA -0.276 4.042 4.320 -0.004 0.000 0.214 390 A C 2.083 179.729 177.584 0.103 0.000 1.195 390 A CA 1.697 53.781 52.037 0.077 0.000 0.611 390 A CB -1.113 17.935 19.000 0.081 0.000 0.835 390 A HN 0.503 nan 8.150 nan 0.000 0.443 391 F N 1.766 121.715 119.950 -0.002 0.000 2.065 391 F HA -0.279 4.245 4.527 -0.004 0.000 0.298 391 F C 2.598 178.396 175.800 -0.004 0.000 1.112 391 F CA 2.400 60.398 58.000 -0.002 0.000 1.212 391 F CB -0.381 38.616 39.000 -0.005 0.000 0.975 391 F HN 0.366 nan 8.300 nan 0.000 0.476 392 R N 0.390 120.919 120.500 0.049 0.000 2.159 392 R HA -0.133 4.204 4.340 -0.004 0.000 0.237 392 R C 1.874 178.107 176.300 -0.111 0.000 1.131 392 R CA 1.821 57.885 56.100 -0.061 0.000 0.982 392 R CB -1.385 28.938 30.300 0.038 0.000 0.868 392 R HN 0.435 nan 8.270 nan 0.000 0.453 393 E N 1.399 121.557 120.200 -0.071 0.000 2.076 393 E HA 0.081 4.428 4.350 -0.004 0.000 0.190 393 E C 2.130 178.664 176.600 -0.110 0.000 0.979 393 E CA 0.920 57.279 56.400 -0.068 0.000 0.807 393 E CB -0.517 29.165 29.700 -0.031 0.000 0.761 393 E HN 0.636 nan 8.360 nan 0.000 0.454 394 A N 0.318 123.052 122.820 -0.142 0.000 1.972 394 A HA 0.061 4.378 4.320 -0.004 0.000 0.219 394 A C 2.480 179.923 177.584 -0.235 0.000 1.169 394 A CA 1.449 53.386 52.037 -0.166 0.000 0.635 394 A CB -0.370 18.540 19.000 -0.150 0.000 0.810 394 A HN 0.445 nan 8.150 nan 0.000 0.446 395 L N -1.408 119.608 121.223 -0.346 0.000 2.023 395 L HA -0.091 4.246 4.340 -0.004 0.000 0.205 395 L C 2.740 179.505 176.870 -0.176 0.000 1.073 395 L CA 1.427 56.076 54.840 -0.318 0.000 0.745 395 L CB -0.489 41.322 42.059 -0.414 0.000 0.900 395 L HN 0.374 nan 8.230 nan 0.000 0.435 396 R N 0.764 121.178 120.500 -0.143 0.000 2.170 396 R HA -0.240 4.098 4.340 -0.004 0.000 0.242 396 R C 2.266 178.515 176.300 -0.085 0.000 1.145 396 R CA 1.703 57.748 56.100 -0.091 0.000 0.984 396 R CB -0.081 30.177 30.300 -0.070 0.000 0.869 396 R HN 0.287 nan 8.270 nan 0.000 0.455 397 K N -0.364 119.974 120.400 -0.103 0.000 2.062 397 K HA -0.053 4.265 4.320 -0.004 0.000 0.205 397 K C 1.886 178.422 176.600 -0.106 0.000 1.051 397 K CA 1.195 57.422 56.287 -0.101 0.000 0.941 397 K CB -0.101 32.333 32.500 -0.110 0.000 0.719 397 K HN 0.184 nan 8.250 nan 0.000 0.440 398 A N 1.134 123.889 122.820 -0.108 0.000 1.969 398 A HA -0.136 4.181 4.320 -0.004 0.000 0.218 398 A C 1.923 179.487 177.584 -0.034 0.000 1.169 398 A CA 1.523 53.516 52.037 -0.072 0.000 0.635 398 A CB -0.298 18.666 19.000 -0.060 0.000 0.810 398 A HN 0.218 nan 8.150 nan 0.000 0.445 399 K N -0.173 120.199 120.400 -0.047 0.000 2.026 399 K HA -0.068 4.250 4.320 -0.004 0.000 0.208 399 K C 2.381 178.969 176.600 -0.020 0.000 1.048 399 K CA 1.957 58.228 56.287 -0.025 0.000 0.929 399 K CB -0.529 31.951 32.500 -0.033 0.000 0.713 399 K HN 0.549 nan 8.250 nan 0.000 0.439 400 E N 1.180 121.358 120.200 -0.038 0.000 2.085 400 E HA -0.236 4.112 4.350 -0.004 0.000 0.194 400 E C 1.582 178.163 176.600 -0.033 0.000 0.994 400 E CA 1.892 58.270 56.400 -0.036 0.000 0.801 400 E CB -0.735 28.935 29.700 -0.050 0.000 0.743 400 E HN 0.604 nan 8.360 nan 0.000 0.453 401 E N -1.110 119.060 120.200 -0.050 0.000 2.526 401 E HA 0.273 4.621 4.350 -0.004 0.000 0.198 401 E C 1.188 177.826 176.600 0.064 0.000 1.091 401 E CA 0.145 56.518 56.400 -0.046 0.000 0.880 401 E CB -0.066 29.504 29.700 -0.218 0.000 0.873 401 E HN 0.629 nan 8.360 nan 0.000 0.527 402 G N 1.040 109.866 108.800 0.044 0.000 2.160 402 G HA2 -0.295 3.662 3.960 -0.004 0.000 0.251 402 G HA3 -0.295 3.662 3.960 -0.004 0.000 0.251 402 G C 0.429 175.375 174.900 0.076 0.000 1.008 402 G CA 0.165 45.298 45.100 0.056 0.000 0.724 402 G HN 0.187 nan 8.290 nan 0.000 0.514 403 V N -0.301 119.673 119.914 0.099 0.000 2.872 403 V HA 0.321 4.438 4.120 -0.004 0.000 0.307 403 V C 1.288 177.419 176.094 0.062 0.000 1.072 403 V CA 1.494 63.855 62.300 0.101 0.000 1.148 403 V CB 1.685 33.580 31.823 0.120 0.000 0.954 403 V HN 0.453 nan 8.190 nan 0.000 0.490 404 Q N 1.478 121.314 119.800 0.060 0.000 2.157 404 Q HA 0.574 4.912 4.340 -0.004 0.000 0.235 404 Q C -0.150 175.888 176.000 0.063 0.000 0.803 404 Q CA 0.706 56.544 55.803 0.058 0.000 0.967 404 Q CB 1.251 30.024 28.738 0.059 0.000 1.150 404 Q HN 0.985 nan 8.270 nan 0.000 0.482 405 A N -0.836 122.023 122.820 0.066 0.000 2.594 405 A HA 0.649 4.967 4.320 -0.004 0.000 0.296 405 A C -1.669 175.957 177.584 0.069 0.000 1.056 405 A CA -0.547 51.530 52.037 0.067 0.000 0.693 405 A CB 1.248 20.290 19.000 0.070 0.000 1.278 405 A HN -0.054 nan 8.150 nan 0.000 0.408 406 V N 1.703 121.650 119.914 0.055 0.000 2.495 406 V HA 0.552 4.670 4.120 -0.004 0.000 0.298 406 V C -0.634 175.477 176.094 0.029 0.000 1.031 406 V CA -0.466 61.856 62.300 0.038 0.000 0.871 406 V CB 1.571 33.414 31.823 0.032 0.000 0.988 406 V HN 0.897 nan 8.190 nan 0.000 0.432 407 L N 6.785 128.007 121.223 -0.002 0.000 2.287 407 L HA 0.491 4.829 4.340 -0.004 0.000 0.280 407 L C -0.229 176.604 176.870 -0.061 0.000 1.055 407 L CA 0.166 55.002 54.840 -0.008 0.000 0.863 407 L CB 0.982 43.050 42.059 0.014 0.000 1.245 407 L HN 0.478 nan 8.230 nan 0.000 0.432 408 V N 6.276 126.176 119.914 -0.024 0.000 2.415 408 V HA 0.100 4.218 4.120 -0.004 0.000 0.267 408 V C 0.500 176.575 176.094 -0.033 0.000 1.042 408 V CA -0.136 62.146 62.300 -0.031 0.000 1.000 408 V CB 0.774 32.592 31.823 -0.009 0.000 1.015 408 V HN 0.600 nan 8.190 nan 0.000 0.478 409 L N 6.801 127.988 121.223 -0.060 0.000 2.314 409 L HA 0.509 4.846 4.340 -0.004 0.000 0.275 409 L C 0.447 177.298 176.870 -0.031 0.000 1.068 409 L CA 0.205 55.018 54.840 -0.045 0.000 0.894 409 L CB 0.737 42.745 42.059 -0.084 0.000 1.275 409 L HN 0.964 nan 8.230 nan 0.000 0.432 410 T N 1.017 115.563 114.554 -0.013 0.000 2.865 410 T HA 0.679 5.026 4.350 -0.004 0.000 0.294 410 T C -2.928 171.774 174.700 0.003 0.000 1.119 410 T CA -2.244 59.850 62.100 -0.011 0.000 1.007 410 T CB 2.309 71.166 68.868 -0.018 0.000 1.225 410 T HN 0.008 nan 8.240 nan 0.000 0.515 411 P HA 0.396 nan 4.420 nan 0.000 0.277 411 P C -2.614 174.695 177.300 0.016 0.000 1.240 411 P CA -1.558 61.549 63.100 0.012 0.000 0.798 411 P CB -0.497 31.207 31.700 0.008 0.000 0.979 412 P HA -0.098 nan 4.420 nan 0.000 0.220 412 P C -0.162 177.156 177.300 0.029 0.000 1.000 412 P CA 1.258 64.377 63.100 0.031 0.000 1.063 412 P CB -0.554 31.167 31.700 0.035 0.000 1.023 413 M N 2.102 121.716 119.600 0.023 0.000 2.240 413 M HA 0.254 4.732 4.480 -0.004 0.000 0.333 413 M C 0.886 177.214 176.300 0.046 0.000 1.110 413 M CA -0.169 55.143 55.300 0.019 0.000 1.173 413 M CB 0.646 33.244 32.600 -0.003 0.000 1.458 413 M HN 0.190 nan 8.290 nan 0.000 0.458 414 A N 2.623 125.476 122.820 0.054 0.000 2.366 414 A HA 0.061 4.379 4.320 -0.004 0.000 0.272 414 A C 0.759 178.432 177.584 0.148 0.000 1.135 414 A CA -0.589 51.510 52.037 0.103 0.000 0.804 414 A CB 0.024 19.074 19.000 0.084 0.000 1.064 414 A HN 1.119 nan 8.150 nan 0.000 0.499 415 W N 2.444 123.748 121.300 0.008 0.000 2.286 415 W HA -0.341 4.316 4.660 -0.004 0.000 0.341 415 W C 1.226 177.750 176.519 0.009 0.000 1.359 415 W CA 2.882 60.233 57.345 0.011 0.000 1.269 415 W CB -0.711 28.757 29.460 0.013 0.000 1.123 415 W HN 0.922 nan 8.180 nan 0.000 0.467 416 E N 0.088 120.529 120.200 0.402 0.000 2.169 416 E HA -0.244 4.104 4.350 -0.004 0.000 0.202 416 E C 1.693 178.322 176.600 0.048 0.000 1.016 416 E CA 2.296 58.838 56.400 0.236 0.000 0.817 416 E CB -0.672 29.146 29.700 0.197 0.000 0.736 416 E HN 0.289 nan 8.360 nan 0.000 0.462 417 D N -1.108 119.306 120.400 0.023 0.000 2.348 417 D HA -0.020 4.618 4.640 -0.004 0.000 0.211 417 D C 1.716 177.977 176.300 -0.065 0.000 0.998 417 D CA 0.116 54.103 54.000 -0.021 0.000 0.873 417 D CB 0.113 40.906 40.800 -0.012 0.000 0.925 417 D HN 0.083 nan 8.370 nan 0.000 0.524 418 R N 1.001 121.436 120.500 -0.108 0.000 2.073 418 R HA -0.075 4.262 4.340 -0.004 0.000 0.229 418 R C 1.358 177.552 176.300 -0.176 0.000 1.120 418 R CA 0.921 56.932 56.100 -0.148 0.000 0.967 418 R CB 0.127 30.302 30.300 -0.208 0.000 0.862 418 R HN 0.057 nan 8.270 nan 0.000 0.436 419 N N 0.379 118.935 118.700 -0.239 0.000 2.142 419 N HA -0.149 4.589 4.740 -0.004 0.000 0.186 419 N C 1.781 177.235 175.510 -0.094 0.000 1.023 419 N CA 1.142 54.076 53.050 -0.192 0.000 0.852 419 N CB -0.255 38.108 38.487 -0.206 0.000 0.998 419 N HN 0.164 nan 8.380 nan 0.000 0.424 420 R N 0.410 120.867 120.500 -0.072 0.000 2.103 420 R HA -0.132 4.206 4.340 -0.004 0.000 0.234 420 R C 1.962 178.234 176.300 -0.046 0.000 1.132 420 R CA 1.325 57.399 56.100 -0.044 0.000 0.925 420 R CB -0.654 29.624 30.300 -0.037 0.000 0.842 420 R HN 0.179 nan 8.270 nan 0.000 0.430 421 L N 1.520 122.706 121.223 -0.060 0.000 2.013 421 L HA -0.215 4.123 4.340 -0.004 0.000 0.212 421 L C 1.938 178.796 176.870 -0.021 0.000 1.073 421 L CA 1.958 56.764 54.840 -0.056 0.000 0.753 421 L CB -0.366 41.653 42.059 -0.067 0.000 0.890 421 L HN 0.143 nan 8.230 nan 0.000 0.432 422 K N -1.080 119.301 120.400 -0.031 0.000 2.097 422 K HA -0.061 4.257 4.320 -0.004 0.000 0.205 422 K C 2.066 178.664 176.600 -0.004 0.000 1.050 422 K CA 1.145 57.425 56.287 -0.011 0.000 0.938 422 K CB -0.303 32.182 32.500 -0.026 0.000 0.718 422 K HN 0.487 nan 8.250 nan 0.000 0.442 423 A N 1.355 124.165 122.820 -0.016 0.000 1.898 423 A HA -0.157 4.161 4.320 -0.004 0.000 0.216 423 A C 2.056 179.640 177.584 0.001 0.000 1.181 423 A CA 1.097 53.126 52.037 -0.014 0.000 0.620 423 A CB -0.545 18.446 19.000 -0.014 0.000 0.819 423 A HN 0.231 nan 8.150 nan 0.000 0.442 424 L N -0.133 121.099 121.223 0.015 0.000 2.012 424 L HA -0.151 4.187 4.340 -0.004 0.000 0.210 424 L C 2.303 179.221 176.870 0.081 0.000 1.073 424 L CA 1.840 56.710 54.840 0.050 0.000 0.748 424 L CB -0.651 41.440 42.059 0.053 0.000 0.891 424 L HN 0.407 nan 8.230 nan 0.000 0.431 425 L N -1.617 119.659 121.223 0.088 0.000 2.046 425 L HA -0.220 4.117 4.340 -0.004 0.000 0.208 425 L C 2.510 179.398 176.870 0.030 0.000 1.077 425 L CA 0.652 55.546 54.840 0.090 0.000 0.747 425 L CB -0.601 41.514 42.059 0.093 0.000 0.896 425 L HN 0.324 nan 8.230 nan 0.000 0.432 426 L N 0.193 121.415 121.223 -0.001 0.000 1.955 426 L HA -0.250 4.088 4.340 -0.004 0.000 0.213 426 L C 2.846 179.685 176.870 -0.052 0.000 1.072 426 L CA 1.984 56.791 54.840 -0.055 0.000 0.755 426 L CB -0.807 41.187 42.059 -0.109 0.000 0.888 426 L HN 0.290 nan 8.230 nan 0.000 0.432 427 R N 0.035 120.515 120.500 -0.034 0.000 2.096 427 R HA -0.218 4.119 4.340 -0.004 0.000 0.240 427 R C 1.753 178.047 176.300 -0.011 0.000 1.139 427 R CA 1.720 57.807 56.100 -0.022 0.000 0.952 427 R CB -0.401 29.896 30.300 -0.006 0.000 0.854 427 R HN 0.519 nan 8.270 nan 0.000 0.436 428 E N -0.099 120.102 120.200 0.001 0.000 2.533 428 E HA -0.011 4.337 4.350 -0.004 0.000 0.201 428 E C 0.713 177.306 176.600 -0.012 0.000 1.097 428 E CA 0.379 56.776 56.400 -0.005 0.000 0.887 428 E CB 0.067 29.766 29.700 -0.002 0.000 0.855 428 E HN 0.586 nan 8.360 nan 0.000 0.540 429 G N 1.125 109.918 108.800 -0.012 0.000 2.176 429 G HA2 -0.268 3.690 3.960 -0.004 0.000 0.252 429 G HA3 -0.268 3.690 3.960 -0.004 0.000 0.252 429 G C -0.235 174.668 174.900 0.005 0.000 1.024 429 G CA -0.001 45.095 45.100 -0.007 0.000 0.755 429 G HN 0.144 nan 8.290 nan 0.000 0.507 430 L N 0.361 121.588 121.223 0.007 0.000 2.388 430 L HA 0.468 4.806 4.340 -0.004 0.000 0.267 430 L C -1.984 174.908 176.870 0.037 0.000 0.995 430 L CA -1.932 52.922 54.840 0.024 0.000 0.864 430 L CB 1.982 44.050 42.059 0.016 0.000 1.216 430 L HN -0.172 nan 8.230 nan 0.000 0.430 431 P HA 0.142 nan 4.420 nan 0.000 0.269 431 P C -0.713 176.623 177.300 0.061 0.000 1.205 431 P CA -0.031 63.116 63.100 0.078 0.000 0.780 431 P CB 0.612 32.374 31.700 0.105 0.000 0.858 432 S N -0.116 115.619 115.700 0.058 0.000 2.548 432 S HA 0.572 5.039 4.470 -0.004 0.000 0.276 432 S C -1.292 173.325 174.600 0.029 0.000 1.129 432 S CA -0.814 57.411 58.200 0.041 0.000 0.931 432 S CB 1.749 64.971 63.200 0.037 0.000 1.068 432 S HN 0.325 nan 8.310 nan 0.000 0.480 433 Q N 2.492 122.309 119.800 0.029 0.000 2.333 433 Q HA 0.575 4.912 4.340 -0.004 0.000 0.268 433 Q C -1.312 174.705 176.000 0.029 0.000 1.007 433 Q CA -0.631 55.188 55.803 0.027 0.000 0.810 433 Q CB 0.810 29.573 28.738 0.043 0.000 1.264 433 Q HN 0.764 nan 8.270 nan 0.000 0.452 434 I N 4.734 125.317 120.570 0.023 0.000 2.385 434 I HA 0.377 4.545 4.170 -0.004 0.000 0.294 434 I C -0.714 175.431 176.117 0.046 0.000 0.988 434 I CA -0.841 60.473 61.300 0.022 0.000 1.265 434 I CB 1.169 39.172 38.000 0.006 0.000 1.388 434 I HN 0.662 nan 8.210 nan 0.000 0.480 435 L N 7.365 128.620 121.223 0.053 0.000 2.446 435 L HA 0.446 4.784 4.340 -0.004 0.000 0.268 435 L C -0.427 176.484 176.870 0.069 0.000 0.975 435 L CA -0.389 54.502 54.840 0.085 0.000 0.848 435 L CB 0.968 43.102 42.059 0.125 0.000 1.225 435 L HN 0.389 nan 8.230 nan 0.000 0.410 436 N N 3.501 122.243 118.700 0.069 0.000 2.357 436 N HA -0.033 4.705 4.740 -0.004 0.000 0.257 436 N C 1.333 176.879 175.510 0.060 0.000 1.250 436 N CA 0.137 53.220 53.050 0.056 0.000 0.862 436 N CB 1.625 40.146 38.487 0.056 0.000 1.066 436 N HN 0.559 nan 8.380 nan 0.000 0.468 437 V N 4.127 124.064 119.914 0.040 0.000 2.324 437 V HA -0.170 3.947 4.120 -0.004 0.000 0.250 437 V C -1.308 174.812 176.094 0.044 0.000 1.060 437 V CA 1.537 63.858 62.300 0.035 0.000 1.042 437 V CB -0.985 30.848 31.823 0.016 0.000 0.650 437 V HN 0.674 nan 8.190 nan 0.000 0.450 438 P HA 0.095 nan 4.420 nan 0.000 0.244 438 P C -0.403 176.932 177.300 0.059 0.000 1.723 438 P CA 0.547 63.672 63.100 0.042 0.000 1.110 438 P CB -0.143 31.578 31.700 0.036 0.000 1.972 439 L N 2.455 123.721 121.223 0.071 0.000 2.365 439 L HA 0.612 4.950 4.340 -0.004 0.000 0.267 439 L C 0.048 176.962 176.870 0.072 0.000 1.033 439 L CA -0.580 54.320 54.840 0.100 0.000 0.802 439 L CB 1.520 43.657 42.059 0.130 0.000 1.267 439 L HN 0.154 nan 8.230 nan 0.000 0.457 440 R N 1.019 121.555 120.500 0.059 0.000 2.668 440 R HA 0.156 4.493 4.340 -0.004 0.000 0.272 440 R C 0.219 176.384 176.300 -0.225 0.000 1.019 440 R CA -0.548 55.533 56.100 -0.031 0.000 0.894 440 R CB 1.851 32.152 30.300 0.003 0.000 1.228 440 R HN 0.738 nan 8.270 nan 0.000 0.460 441 E N 1.963 121.874 120.200 -0.481 0.000 2.150 441 E HA -0.202 4.146 4.350 -0.004 0.000 0.193 441 E C 0.966 177.389 176.600 -0.295 0.000 0.985 441 E CA 1.884 57.648 56.400 -1.061 0.000 0.814 441 E CB 0.360 29.530 29.700 -0.884 0.000 0.752 441 E HN 0.673 nan 8.360 nan 0.000 0.466 442 E N 0.360 120.498 120.200 -0.103 0.000 2.058 442 E HA -0.201 4.146 4.350 -0.004 0.000 0.194 442 E C 1.312 177.970 176.600 0.098 0.000 0.997 442 E CA 1.421 57.828 56.400 0.012 0.000 0.801 442 E CB -0.678 29.014 29.700 -0.014 0.000 0.746 442 E HN 0.244 nan 8.360 nan 0.000 0.450 443 E N 1.090 121.383 120.200 0.156 0.000 2.778 443 E HA 0.225 4.572 4.350 -0.004 0.000 0.318 443 E C 1.381 178.049 176.600 0.114 0.000 1.309 443 E CA 0.603 57.079 56.400 0.127 0.000 1.419 443 E CB -1.321 28.466 29.700 0.146 0.000 1.150 443 E HN 0.525 nan 8.360 nan 0.000 0.492 444 R N -0.101 120.368 120.500 -0.052 0.000 2.377 444 R HA -0.092 4.245 4.340 -0.004 0.000 0.207 444 R C 1.643 177.548 176.300 -0.657 0.000 1.075 444 R CA 1.521 57.239 56.100 -0.638 0.000 1.035 444 R CB -1.288 28.859 30.300 -0.255 0.000 0.857 444 R HN 0.897 nan 8.270 nan 0.000 0.475 445 H N -0.876 117.866 119.070 -0.548 0.000 2.431 445 H HA 0.114 4.668 4.556 -0.004 0.000 0.295 445 H C 1.982 176.949 175.328 -0.600 0.000 1.038 445 H CA 0.843 56.503 56.048 -0.646 0.000 1.360 445 H CB 0.540 29.954 29.762 -0.581 0.000 1.433 445 H HN 0.419 nan 8.280 nan 0.000 0.536 446 R N 0.704 121.064 120.500 -0.233 0.000 2.043 446 R HA -0.085 4.252 4.340 -0.004 0.000 0.221 446 R C 2.364 178.673 176.300 0.016 0.000 1.196 446 R CA 1.172 57.219 56.100 -0.088 0.000 0.949 446 R CB -0.737 29.602 30.300 0.065 0.000 0.838 446 R HN 0.454 nan 8.270 nan 0.000 0.446 447 W N 1.615 122.982 121.300 0.112 0.000 2.279 447 W HA -0.287 4.371 4.660 -0.004 0.000 0.298 447 W C 1.641 178.271 176.519 0.185 0.000 1.228 447 W CA 1.539 58.988 57.345 0.173 0.000 1.230 447 W CB -1.100 28.530 29.460 0.282 0.000 1.138 447 W HN 0.295 nan 8.180 nan 0.000 0.532 448 E N 1.531 121.631 120.200 -0.167 0.000 2.152 448 E HA -0.186 4.162 4.350 -0.004 0.000 0.192 448 E C 1.748 178.416 176.600 0.113 0.000 0.983 448 E CA 1.496 57.857 56.400 -0.065 0.000 0.818 448 E CB -0.932 28.642 29.700 -0.209 0.000 0.758 448 E HN 0.325 nan 8.360 nan 0.000 0.467 449 N N -0.034 118.710 118.700 0.074 0.000 2.171 449 N HA 0.018 4.755 4.740 -0.004 0.000 0.184 449 N C 2.199 177.763 175.510 0.090 0.000 1.021 449 N CA 1.471 54.579 53.050 0.096 0.000 0.854 449 N CB -0.232 38.259 38.487 0.006 0.000 0.994 449 N HN 0.463 nan 8.380 nan 0.000 0.426 450 A N 1.747 124.641 122.820 0.124 0.000 1.873 450 A HA -0.130 4.187 4.320 -0.004 0.000 0.218 450 A C 2.402 180.077 177.584 0.151 0.000 1.193 450 A CA 1.145 53.269 52.037 0.144 0.000 0.629 450 A CB -0.947 18.180 19.000 0.212 0.000 0.826 450 A HN 0.264 nan 8.150 nan 0.000 0.447 451 L N -1.305 120.047 121.223 0.215 0.000 2.042 451 L HA -0.214 4.123 4.340 -0.004 0.000 0.210 451 L C 2.548 179.493 176.870 0.125 0.000 1.076 451 L CA 0.919 55.887 54.840 0.214 0.000 0.749 451 L CB -0.642 41.594 42.059 0.295 0.000 0.893 451 L HN 0.304 nan 8.230 nan 0.000 0.432 452 L N 0.154 121.432 121.223 0.092 0.000 2.017 452 L HA -0.127 4.211 4.340 -0.004 0.000 0.208 452 L C 2.592 179.434 176.870 -0.046 0.000 1.073 452 L CA 2.166 57.014 54.840 0.013 0.000 0.745 452 L CB -1.480 40.586 42.059 0.011 0.000 0.894 452 L HN 0.201 nan 8.230 nan 0.000 0.432 453 G N -1.093 107.691 108.800 -0.027 0.000 2.408 453 G HA2 -0.198 3.759 3.960 -0.004 0.000 0.217 453 G HA3 -0.198 3.759 3.960 -0.004 0.000 0.217 453 G C 1.581 176.452 174.900 -0.047 0.000 1.150 453 G CA 0.548 45.608 45.100 -0.067 0.000 0.776 453 G HN 0.287 nan 8.290 nan 0.000 0.542 454 L N 0.656 121.887 121.223 0.014 0.000 1.970 454 L HA 0.020 4.357 4.340 -0.004 0.000 0.212 454 L C 2.822 179.701 176.870 0.016 0.000 1.071 454 L CA 1.645 56.510 54.840 0.041 0.000 0.751 454 L CB -1.007 41.115 42.059 0.106 0.000 0.889 454 L HN 0.232 nan 8.230 nan 0.000 0.432 455 L N -0.034 121.189 121.223 0.000 0.000 2.129 455 L HA -0.218 4.120 4.340 -0.004 0.000 0.212 455 L C 2.745 179.547 176.870 -0.115 0.000 1.087 455 L CA 1.242 56.043 54.840 -0.064 0.000 0.757 455 L CB -0.722 41.235 42.059 -0.170 0.000 0.896 455 L HN 0.371 nan 8.230 nan 0.000 0.434 456 A N -0.131 122.612 122.820 -0.129 0.000 1.930 456 A HA -0.146 4.172 4.320 -0.004 0.000 0.215 456 A C 2.281 179.798 177.584 -0.112 0.000 1.176 456 A CA 1.156 53.101 52.037 -0.152 0.000 0.632 456 A CB -0.204 18.666 19.000 -0.218 0.000 0.819 456 A HN 0.298 nan 8.150 nan 0.000 0.445 457 K N -0.121 120.225 120.400 -0.090 0.000 2.283 457 K HA 0.052 4.370 4.320 -0.004 0.000 0.202 457 K C 1.918 178.535 176.600 0.029 0.000 1.048 457 K CA 0.866 57.130 56.287 -0.038 0.000 0.948 457 K CB -0.177 32.311 32.500 -0.019 0.000 0.742 457 K HN 0.424 nan 8.250 nan 0.000 0.458 458 A N 0.453 123.284 122.820 0.019 0.000 2.123 458 A HA 0.150 4.468 4.320 -0.004 0.000 0.214 458 A C 1.436 179.047 177.584 0.044 0.000 1.152 458 A CA 0.995 53.059 52.037 0.045 0.000 0.728 458 A CB -0.152 18.881 19.000 0.054 0.000 0.814 458 A HN 0.393 nan 8.150 nan 0.000 0.464 459 G N -2.012 106.800 108.800 0.020 0.000 2.138 459 G HA2 -0.111 3.846 3.960 -0.004 0.000 0.193 459 G HA3 -0.111 3.846 3.960 -0.004 0.000 0.193 459 G C -0.319 174.575 174.900 -0.010 0.000 0.998 459 G CA -0.019 45.098 45.100 0.028 0.000 0.668 459 G HN 0.299 nan 8.290 nan 0.000 0.516 460 L N 1.401 122.579 121.223 -0.075 0.000 2.265 460 L HA 0.458 4.796 4.340 -0.004 0.000 0.288 460 L C 0.544 177.310 176.870 -0.174 0.000 1.058 460 L CA -0.452 54.298 54.840 -0.149 0.000 0.809 460 L CB 1.494 43.364 42.059 -0.315 0.000 1.179 460 L HN 0.102 nan 8.230 nan 0.000 0.429 461 Q N 3.382 123.135 119.800 -0.079 0.000 2.431 461 Q HA 0.082 4.420 4.340 -0.004 0.000 0.234 461 Q C 1.240 177.223 176.000 -0.029 0.000 1.203 461 Q CA -0.056 55.731 55.803 -0.026 0.000 0.902 461 Q CB 0.880 29.670 28.738 0.086 0.000 1.455 461 Q HN 0.679 nan 8.270 nan 0.000 0.515 462 V N 0.688 120.524 119.914 -0.131 0.000 2.307 462 V HA -0.006 4.111 4.120 -0.004 0.000 0.245 462 V C 1.014 177.175 176.094 0.111 0.000 1.045 462 V CA 0.866 63.131 62.300 -0.058 0.000 1.024 462 V CB -0.167 31.578 31.823 -0.131 0.000 0.651 462 V HN 0.253 nan 8.190 nan 0.000 0.449 463 V N -0.015 119.911 119.914 0.021 0.000 2.864 463 V HA 0.939 5.056 4.120 -0.004 0.000 0.314 463 V C -0.048 175.964 176.094 -0.136 0.000 1.073 463 V CA 0.129 62.425 62.300 -0.006 0.000 0.956 463 V CB 1.343 33.161 31.823 -0.008 0.000 1.023 463 V HN 0.815 nan 8.190 nan 0.000 0.435 464 A N 2.908 125.572 122.820 -0.261 0.000 2.594 464 A HA 0.865 5.183 4.320 -0.004 0.000 0.291 464 A C -1.647 175.751 177.584 -0.310 0.000 1.105 464 A CA -0.617 51.137 52.037 -0.472 0.000 0.694 464 A CB 1.528 19.748 19.000 -1.301 0.000 1.291 464 A HN 0.707 nan 8.150 nan 0.000 0.410 465 L N 2.339 123.415 121.223 -0.245 0.000 2.264 465 L HA 0.371 4.709 4.340 -0.004 0.000 0.287 465 L C 0.484 177.365 176.870 0.019 0.000 1.039 465 L CA -0.480 54.300 54.840 -0.100 0.000 0.829 465 L CB 1.528 43.530 42.059 -0.094 0.000 1.211 465 L HN 0.775 nan 8.230 nan 0.000 0.427 466 S N 2.114 117.831 115.700 0.029 0.000 2.422 466 S HA 0.770 5.237 4.470 -0.004 0.000 0.283 466 S C 0.234 174.896 174.600 0.103 0.000 1.163 466 S CA -0.114 58.134 58.200 0.080 0.000 1.054 466 S CB 1.145 64.391 63.200 0.076 0.000 0.967 466 S HN 0.899 nan 8.310 nan 0.000 0.499 467 G N 1.266 110.139 108.800 0.121 0.000 2.327 467 G HA2 0.572 4.530 3.960 -0.004 0.000 0.291 467 G HA3 0.572 4.530 3.960 -0.004 0.000 0.291 467 G C -1.579 173.302 174.900 -0.032 0.000 1.290 467 G CA -0.381 44.731 45.100 0.021 0.000 0.857 467 G HN 1.379 nan 8.290 nan 0.000 0.520 468 A N -0.522 122.139 122.820 -0.266 0.000 2.330 468 A HA 0.856 5.174 4.320 -0.004 0.000 0.313 468 A C -1.529 175.798 177.584 -0.428 0.000 1.124 468 A CA -0.499 51.423 52.037 -0.192 0.000 0.774 468 A CB 0.855 19.794 19.000 -0.103 0.000 1.198 468 A HN 0.927 nan 8.150 nan 0.000 0.465 469 Y N 2.349 122.683 120.300 0.056 0.000 2.485 469 Y HA 0.510 5.058 4.550 -0.004 0.000 0.345 469 Y C -1.283 174.631 175.900 0.024 0.000 0.998 469 Y CA -1.969 56.162 58.100 0.050 0.000 1.059 469 Y CB 1.552 40.045 38.460 0.056 0.000 1.234 469 Y HN 0.585 nan 8.280 nan 0.000 0.461 470 P HA -0.015 nan 4.420 nan 0.000 0.231 470 P C -0.281 177.067 177.300 0.081 0.000 1.158 470 P CA 0.844 63.985 63.100 0.069 0.000 0.763 470 P CB 0.331 32.048 31.700 0.029 0.000 0.805 471 A N 0.113 123.004 122.820 0.119 0.000 2.353 471 A HA 0.373 4.691 4.320 -0.004 0.000 0.299 471 A C 0.808 178.440 177.584 0.080 0.000 1.089 471 A CA -0.607 51.476 52.037 0.077 0.000 0.736 471 A CB 1.190 20.224 19.000 0.057 0.000 1.195 471 A HN -0.110 nan 8.150 nan 0.000 0.447 472 E N 1.154 121.389 120.200 0.058 0.000 2.250 472 E HA 0.036 4.384 4.350 -0.004 0.000 0.192 472 E C -0.382 176.225 176.600 0.012 0.000 0.986 472 E CA 0.452 56.903 56.400 0.085 0.000 0.849 472 E CB 0.264 30.047 29.700 0.138 0.000 0.797 472 E HN 0.440 nan 8.360 nan 0.000 0.482 473 L N 0.616 121.770 121.223 -0.115 0.000 2.376 473 L HA 0.512 4.849 4.340 -0.004 0.000 0.275 473 L C -1.554 175.245 176.870 -0.118 0.000 0.987 473 L CA -0.705 53.994 54.840 -0.234 0.000 0.828 473 L CB 1.724 43.404 42.059 -0.632 0.000 1.249 473 L HN -0.126 nan 8.230 nan 0.000 0.409 474 A N 4.880 127.656 122.820 -0.073 0.000 2.311 474 A HA 0.731 5.049 4.320 -0.004 0.000 0.306 474 A C -1.427 176.135 177.584 -0.037 0.000 1.189 474 A CA -0.508 51.511 52.037 -0.030 0.000 0.791 474 A CB 1.492 20.477 19.000 -0.024 0.000 1.172 474 A HN 0.842 nan 8.150 nan 0.000 0.481 475 V N 2.768 122.663 119.914 -0.033 0.000 2.540 475 V HA 0.882 4.999 4.120 -0.004 0.000 0.302 475 V C 0.250 176.262 176.094 -0.137 0.000 1.035 475 V CA 0.317 62.538 62.300 -0.130 0.000 0.873 475 V CB 1.630 33.309 31.823 -0.239 0.000 0.992 475 V HN 1.257 nan 8.190 nan 0.000 0.428 476 G N 5.148 113.837 108.800 -0.184 0.000 2.400 476 G HA2 0.699 4.657 3.960 -0.004 0.000 0.333 476 G HA3 0.699 4.657 3.960 -0.004 0.000 0.333 476 G C -1.470 173.306 174.900 -0.207 0.000 1.143 476 G CA -0.531 44.545 45.100 -0.039 0.000 0.914 476 G HN 0.584 nan 8.290 nan 0.000 0.480 477 F N 0.495 120.562 119.950 0.195 0.000 2.495 477 F HA 0.475 4.999 4.527 -0.004 0.000 0.327 477 F C -0.017 176.020 175.800 0.396 0.000 1.103 477 F CA -0.974 57.192 58.000 0.277 0.000 0.949 477 F CB 2.692 41.852 39.000 0.265 0.000 1.142 477 F HN 0.231 nan 8.300 nan 0.000 0.457 478 D N 1.451 122.186 120.400 0.558 0.000 2.757 478 D HA 0.488 5.125 4.640 -0.004 0.000 0.249 478 D C -0.746 175.698 176.300 0.240 0.000 1.168 478 D CA -0.353 53.840 54.000 0.323 0.000 0.870 478 D CB 2.300 43.185 40.800 0.143 0.000 1.411 478 D HN 0.648 nan 8.370 nan 0.000 0.525 479 A N 2.130 124.856 122.820 -0.157 0.000 2.684 479 A HA 0.505 4.823 4.320 -0.004 0.000 0.288 479 A C 1.264 178.754 177.584 -0.157 0.000 1.337 479 A CA 0.297 52.085 52.037 -0.416 0.000 0.946 479 A CB -0.458 17.952 19.000 -0.985 0.000 1.093 479 A HN 0.836 nan 8.150 nan 0.000 0.543 480 G N -1.008 107.762 108.800 -0.051 0.000 2.233 480 G HA2 0.073 4.030 3.960 -0.004 0.000 0.270 480 G HA3 0.073 4.030 3.960 -0.004 0.000 0.270 480 G C 1.400 176.274 174.900 -0.044 0.000 1.011 480 G CA 0.836 45.918 45.100 -0.030 0.000 0.762 480 G HN 2.236 nan 8.290 nan 0.000 0.511 481 G N -1.879 106.884 108.800 -0.061 0.000 2.171 481 G HA2 -0.218 3.740 3.960 -0.004 0.000 0.238 481 G HA3 -0.218 3.740 3.960 -0.004 0.000 0.238 481 G C 0.301 175.156 174.900 -0.075 0.000 1.039 481 G CA 0.994 46.062 45.100 -0.053 0.000 0.759 481 G HN 0.926 nan 8.290 nan 0.000 0.501 482 R N -1.127 119.303 120.500 -0.117 0.000 2.705 482 R HA 0.666 5.004 4.340 -0.004 0.000 0.246 482 R C 1.658 177.896 176.300 -0.102 0.000 1.142 482 R CA 0.250 56.279 56.100 -0.119 0.000 1.114 482 R CB 0.411 30.633 30.300 -0.130 0.000 1.256 482 R HN 0.312 nan 8.270 nan 0.000 0.536 483 E N 0.124 120.289 120.200 -0.058 0.000 2.216 483 E HA -0.028 4.319 4.350 -0.004 0.000 0.192 483 E C 0.505 177.109 176.600 0.006 0.000 0.988 483 E CA 1.257 57.648 56.400 -0.014 0.000 0.834 483 E CB 0.097 29.807 29.700 0.017 0.000 0.772 483 E HN 0.606 nan 8.360 nan 0.000 0.479 484 S N -2.939 112.765 115.700 0.006 0.000 2.636 484 S HA 0.566 5.033 4.470 -0.004 0.000 0.268 484 S C -0.376 174.206 174.600 -0.029 0.000 1.159 484 S CA -0.404 57.815 58.200 0.032 0.000 0.815 484 S CB 0.087 63.370 63.200 0.139 0.000 1.130 484 S HN 0.160 nan 8.310 nan 0.000 0.471 485 F N 0.718 120.729 119.950 0.102 0.000 2.731 485 F HA 0.337 4.861 4.527 -0.004 0.000 0.304 485 F C 2.475 178.306 175.800 0.051 0.000 1.133 485 F CA 0.262 58.314 58.000 0.086 0.000 1.380 485 F CB -0.299 38.709 39.000 0.014 0.000 1.079 485 F HN 0.792 nan 8.300 nan 0.000 0.550 486 R N -0.110 120.467 120.500 0.129 0.000 2.535 486 R HA 0.197 4.534 4.340 -0.004 0.000 0.233 486 R C -0.060 175.933 176.300 -0.511 0.000 1.202 486 R CA 0.753 56.752 56.100 -0.169 0.000 1.205 486 R CB -2.114 28.014 30.300 -0.286 0.000 1.153 486 R HN 0.451 nan 8.270 nan 0.000 0.512 487 F N -2.815 117.177 119.950 0.069 0.000 3.087 487 F HA 0.405 4.929 4.527 -0.004 0.000 0.371 487 F C 1.258 177.097 175.800 0.065 0.000 1.144 487 F CA 0.136 58.167 58.000 0.052 0.000 1.030 487 F CB 1.359 40.376 39.000 0.028 0.000 1.366 487 F HN 0.568 nan 8.300 nan 0.000 0.522 488 G N 0.129 109.070 108.800 0.235 0.000 2.255 488 G HA2 0.425 4.383 3.960 -0.004 0.000 0.216 488 G HA3 0.425 4.383 3.960 -0.004 0.000 0.216 488 G C -0.098 174.964 174.900 0.271 0.000 1.307 488 G CA -0.023 45.202 45.100 0.208 0.000 1.162 488 G HN 1.106 nan 8.290 nan 0.000 0.494 489 G N -1.680 107.253 108.800 0.221 0.000 2.541 489 G HA2 0.590 4.548 3.960 -0.004 0.000 0.686 489 G HA3 0.590 4.548 3.960 -0.004 0.000 0.686 489 G C -0.150 174.904 174.900 0.256 0.000 1.286 489 G CA 0.967 46.226 45.100 0.265 0.000 0.894 489 G HN 2.780 nan 8.290 nan 0.000 0.575 490 A N -0.824 122.139 122.820 0.238 0.000 2.567 490 A HA 1.224 5.541 4.320 -0.004 0.000 0.289 490 A C 0.057 177.709 177.584 0.114 0.000 1.177 490 A CA 0.295 52.421 52.037 0.148 0.000 0.694 490 A CB 1.130 20.169 19.000 0.065 0.000 1.292 490 A HN 2.782 nan 8.150 nan 0.000 0.425 491 A N -1.119 121.705 122.820 0.006 0.000 2.515 491 A HA 0.740 5.057 4.320 -0.004 0.000 0.296 491 A C -0.959 176.578 177.584 -0.079 0.000 1.094 491 A CA -0.412 51.537 52.037 -0.147 0.000 0.718 491 A CB 1.041 19.758 19.000 -0.472 0.000 1.307 491 A HN 1.510 nan 8.150 nan 0.000 0.408 492 C N 0.262 119.501 119.300 -0.102 0.000 2.797 492 C HA 0.940 5.398 4.460 -0.004 0.000 0.306 492 C C 0.307 175.283 174.990 -0.024 0.000 1.207 492 C CA 0.009 59.050 59.018 0.037 0.000 1.507 492 C CB 1.188 29.003 27.740 0.124 0.000 2.028 492 C HN 1.363 nan 8.230 nan 0.000 0.475 493 A N 1.860 124.698 122.820 0.031 0.000 2.498 493 A HA 0.916 5.234 4.320 -0.004 0.000 0.298 493 A C -1.452 176.161 177.584 0.048 0.000 1.075 493 A CA -0.370 51.666 52.037 -0.002 0.000 0.714 493 A CB 1.239 20.213 19.000 -0.044 0.000 1.299 493 A HN 0.722 nan 8.150 nan 0.000 0.407 494 V N 1.339 121.267 119.914 0.023 0.000 2.540 494 V HA 0.675 4.792 4.120 -0.004 0.000 0.302 494 V C 0.930 177.042 176.094 0.031 0.000 1.035 494 V CA 0.014 62.332 62.300 0.030 0.000 0.873 494 V CB 1.609 33.430 31.823 -0.004 0.000 0.992 494 V HN 1.270 nan 8.190 nan 0.000 0.428 499 G N -0.796 107.965 108.800 -0.065 0.000 1.828 499 G HA2 0.513 4.471 3.960 -0.004 0.000 0.128 499 G HA3 0.513 4.471 3.960 -0.004 0.000 0.128 499 G C 0.307 175.246 174.900 0.066 0.000 2.299 499 G CA 1.167 46.308 45.100 0.068 0.000 1.389 499 G HN 1.826 nan 8.290 nan 0.000 0.437 500 H N -0.543 118.571 119.070 0.073 0.000 2.858 500 H HA 0.967 5.521 4.556 -0.004 0.000 0.318 500 H C -0.813 174.558 175.328 0.072 0.000 1.419 500 H CA -0.250 55.842 56.048 0.074 0.000 1.373 500 H CB 1.624 31.436 29.762 0.084 0.000 1.915 500 H HN 0.846 nan 8.280 nan 0.000 0.704 501 L N 1.040 122.313 121.223 0.084 0.000 2.505 501 L HA 0.573 4.910 4.340 -0.004 0.000 0.266 501 L C -1.064 175.895 176.870 0.149 0.000 0.954 501 L CA -0.087 54.818 54.840 0.108 0.000 0.852 501 L CB 1.834 43.947 42.059 0.089 0.000 1.282 501 L HN 0.643 nan 8.230 nan 0.000 0.403 502 L N 2.075 123.397 121.223 0.166 0.000 2.250 502 L HA 0.700 5.037 4.340 -0.004 0.000 0.252 502 L C -1.464 175.574 176.870 0.281 0.000 1.054 502 L CA -0.741 54.180 54.840 0.135 0.000 0.856 502 L CB 2.369 44.444 42.059 0.026 0.000 1.443 502 L HN 0.624 nan 8.230 nan 0.000 0.427 503 W N 0.057 121.438 121.300 0.135 0.000 3.775 503 W HA 0.491 5.149 4.660 -0.004 0.000 0.315 503 W C -1.259 175.304 176.519 0.073 0.000 1.169 503 W CA -0.757 56.646 57.345 0.097 0.000 1.266 503 W CB 0.448 30.017 29.460 0.181 0.000 1.269 503 W HN 0.545 nan 8.180 nan 0.000 0.471 504 T N 1.719 116.342 114.554 0.114 0.000 2.952 504 T HA 0.785 5.133 4.350 -0.004 0.000 0.286 504 T C -1.532 173.288 174.700 0.201 0.000 1.024 504 T CA -0.492 61.628 62.100 0.034 0.000 1.029 504 T CB 2.150 70.993 68.868 -0.042 0.000 1.094 504 T HN 0.584 nan 8.240 nan 0.000 0.515 505 L N 3.053 124.386 121.223 0.182 0.000 2.513 505 L HA 0.777 5.115 4.340 -0.004 0.000 0.261 505 L C -2.785 174.155 176.870 0.116 0.000 0.945 505 L CA -1.890 53.068 54.840 0.198 0.000 0.848 505 L CB 2.306 44.560 42.059 0.325 0.000 1.334 505 L HN 0.650 nan 8.230 nan 0.000 0.407 514 I N 1.283 121.829 120.570 -0.041 0.000 2.683 514 I HA 0.246 4.413 4.170 -0.004 0.000 0.286 514 I C -1.052 175.045 176.117 -0.033 0.000 1.175 514 I CA -1.428 59.848 61.300 -0.041 0.000 1.429 514 I CB 0.846 38.832 38.000 -0.024 0.000 1.371 514 I HN 0.599 nan 8.210 nan 0.000 0.569 515 P HA -0.229 nan 4.420 nan 0.000 0.216 515 P C 1.204 178.478 177.300 -0.043 0.000 1.153 515 P CA 1.687 64.786 63.100 -0.001 0.000 0.858 515 P CB 0.124 31.840 31.700 0.026 0.000 0.789 516 Q N -0.425 119.344 119.800 -0.052 0.000 2.291 516 Q HA -0.145 4.192 4.340 -0.004 0.000 0.206 516 Q C 2.440 178.401 176.000 -0.065 0.000 0.976 516 Q CA 1.951 57.701 55.803 -0.090 0.000 0.875 516 Q CB -0.555 28.143 28.738 -0.066 0.000 0.927 516 Q HN 0.465 nan 8.270 nan 0.000 0.450 517 E N 0.408 120.597 120.200 -0.019 0.000 2.122 517 E HA -0.040 4.307 4.350 -0.004 0.000 0.190 517 E C 2.060 178.664 176.600 0.007 0.000 0.977 517 E CA 0.973 57.398 56.400 0.043 0.000 0.820 517 E CB -0.604 29.121 29.700 0.042 0.000 0.770 517 E HN 0.199 nan 8.360 nan 0.000 0.462 518 V N 0.923 120.814 119.914 -0.038 0.000 2.343 518 V HA -0.241 3.877 4.120 -0.004 0.000 0.247 518 V C 2.627 178.622 176.094 -0.165 0.000 1.051 518 V CA 1.745 64.014 62.300 -0.053 0.000 1.036 518 V CB -0.503 31.334 31.823 0.023 0.000 0.654 518 V HN 0.453 nan 8.190 nan 0.000 0.451 519 V N -0.454 119.257 119.914 -0.338 0.000 2.261 519 V HA -0.299 3.819 4.120 -0.004 0.000 0.246 519 V C 2.139 178.073 176.094 -0.265 0.000 1.047 519 V CA 2.576 64.506 62.300 -0.618 0.000 1.015 519 V CB -0.690 30.463 31.823 -1.116 0.000 0.642 519 V HN 0.827 nan 8.190 nan 0.000 0.446 520 W N 1.307 122.411 121.300 -0.327 0.000 2.374 520 W HA -0.232 4.426 4.660 -0.004 0.000 0.288 520 W C 2.126 178.582 176.519 -0.105 0.000 1.218 520 W CA 1.644 58.871 57.345 -0.197 0.000 1.245 520 W CB -0.362 28.995 29.460 -0.173 0.000 1.126 520 W HN 0.522 nan 8.180 nan 0.000 0.545 521 D N 1.532 121.750 120.400 -0.303 0.000 2.104 521 D HA -0.216 4.422 4.640 -0.004 0.000 0.194 521 D C 2.076 178.195 176.300 -0.302 0.000 0.994 521 D CA 2.195 55.976 54.000 -0.364 0.000 0.830 521 D CB -0.964 39.745 40.800 -0.151 0.000 0.959 521 D HN 0.264 nan 8.370 nan 0.000 0.452 522 L N -0.859 120.274 121.223 -0.149 0.000 2.012 522 L HA -0.057 4.280 4.340 -0.004 0.000 0.210 522 L C 2.766 179.592 176.870 -0.074 0.000 1.073 522 L CA 1.036 55.843 54.840 -0.054 0.000 0.748 522 L CB -0.335 41.772 42.059 0.079 0.000 0.891 522 L HN 0.296 nan 8.230 nan 0.000 0.431 523 L N 0.026 121.241 121.223 -0.014 0.000 2.131 523 L HA -0.197 4.141 4.340 -0.004 0.000 0.210 523 L C 2.388 179.087 176.870 -0.286 0.000 1.092 523 L CA 1.799 56.643 54.840 0.008 0.000 0.759 523 L CB -0.450 41.754 42.059 0.240 0.000 0.903 523 L HN 0.287 nan 8.230 nan 0.000 0.435 524 E N -0.081 119.692 120.200 -0.712 0.000 2.016 524 E HA -0.264 4.084 4.350 -0.004 0.000 0.190 524 E C 2.177 178.512 176.600 -0.441 0.000 0.985 524 E CA 1.500 57.382 56.400 -0.863 0.000 0.802 524 E CB -0.432 28.509 29.700 -1.266 0.000 0.762 524 E HN 0.545 nan 8.360 nan 0.000 0.448 525 E N -0.944 119.111 120.200 -0.241 0.000 2.284 525 E HA -0.212 4.135 4.350 -0.004 0.000 0.200 525 E C 1.364 177.954 176.600 -0.016 0.000 1.008 525 E CA 1.568 57.958 56.400 -0.016 0.000 0.829 525 E CB -0.005 29.673 29.700 -0.036 0.000 0.744 525 E HN 0.336 nan 8.360 nan 0.000 0.491 526 T N 0.412 114.913 114.554 -0.089 0.000 2.809 526 T HA -0.015 4.333 4.350 -0.004 0.000 0.260 526 T C 1.803 176.505 174.700 0.003 0.000 1.039 526 T CA 0.590 62.658 62.100 -0.055 0.000 1.141 526 T CB -0.035 68.773 68.868 -0.100 0.000 0.869 526 T HN 0.142 nan 8.240 nan 0.000 0.437 527 L N -0.874 120.298 121.223 -0.086 0.000 2.141 527 L HA -0.008 4.330 4.340 -0.004 0.000 0.209 527 L C 2.333 179.247 176.870 0.073 0.000 1.094 527 L CA 1.208 56.008 54.840 -0.066 0.000 0.763 527 L CB -0.358 41.561 42.059 -0.233 0.000 0.908 527 L HN 0.388 nan 8.230 nan 0.000 0.437 528 W N -0.517 120.797 121.300 0.024 0.000 2.408 528 W HA -0.134 4.524 4.660 -0.004 0.000 0.311 528 W C 2.693 179.228 176.519 0.027 0.000 1.190 528 W CA 0.440 57.795 57.345 0.017 0.000 1.321 528 W CB -0.165 29.272 29.460 -0.038 0.000 1.143 528 W HN 0.052 nan 8.180 nan 0.000 0.501 529 A N -0.213 122.766 122.820 0.264 0.000 1.986 529 A HA -0.270 4.048 4.320 -0.004 0.000 0.220 529 A C 1.654 179.326 177.584 0.147 0.000 1.171 529 A CA 1.663 53.777 52.037 0.129 0.000 0.640 529 A CB -1.114 17.907 19.000 0.036 0.000 0.811 529 A HN 0.423 nan 8.150 nan 0.000 0.451 530 F N 0.343 120.327 119.950 0.058 0.000 2.098 530 F HA -0.048 4.477 4.527 -0.004 0.000 0.294 530 F C 2.280 178.126 175.800 0.075 0.000 1.107 530 F CA 1.816 59.844 58.000 0.048 0.000 1.234 530 F CB -0.219 38.800 39.000 0.031 0.000 1.002 530 F HN 0.211 nan 8.300 nan 0.000 0.472 531 R N 0.388 121.020 120.500 0.220 0.000 2.193 531 R HA -0.097 4.241 4.340 -0.004 0.000 0.229 531 R C 2.101 178.426 176.300 0.041 0.000 1.110 531 R CA 1.312 57.493 56.100 0.136 0.000 0.988 531 R CB -0.151 30.332 30.300 0.305 0.000 0.871 531 R HN 0.277 nan 8.270 nan 0.000 0.458 532 R N -0.185 120.343 120.500 0.046 0.000 2.051 532 R HA 0.048 4.385 4.340 -0.004 0.000 0.225 532 R C 2.185 178.449 176.300 -0.059 0.000 1.155 532 R CA 1.671 57.770 56.100 -0.001 0.000 0.945 532 R CB -0.391 29.910 30.300 0.001 0.000 0.840 532 R HN 0.140 nan 8.270 nan 0.000 0.432 533 K N 0.730 121.078 120.400 -0.086 0.000 2.630 533 K HA 0.301 4.619 4.320 -0.004 0.000 0.204 533 K C 1.036 177.520 176.600 -0.193 0.000 1.024 533 K CA 1.086 57.308 56.287 -0.109 0.000 1.157 533 K CB -0.144 32.310 32.500 -0.077 0.000 0.899 533 K HN 0.429 nan 8.250 nan 0.000 0.501 534 A N -2.543 120.122 122.820 -0.258 0.000 1.999 534 A HA 0.523 4.840 4.320 -0.004 0.000 0.190 534 A C 2.012 179.488 177.584 -0.180 0.000 1.737 534 A CA 1.181 53.021 52.037 -0.328 0.000 1.257 534 A CB 0.145 18.673 19.000 -0.787 0.000 1.401 534 A HN 1.455 nan 8.150 nan 0.000 0.430 535 G N -0.374 108.351 108.800 -0.125 0.000 2.299 535 G HA2 -0.253 3.704 3.960 -0.004 0.000 0.237 535 G HA3 -0.253 3.704 3.960 -0.004 0.000 0.237 535 G C 0.703 175.598 174.900 -0.008 0.000 1.027 535 G CA 0.623 45.696 45.100 -0.045 0.000 0.619 535 G HN 0.672 nan 8.290 nan 0.000 0.513 536 R N -1.112 119.373 120.500 -0.025 0.000 2.751 536 R HA 0.888 5.226 4.340 -0.004 0.000 0.217 536 R C -0.881 175.505 176.300 0.144 0.000 1.436 536 R CA -0.719 55.418 56.100 0.062 0.000 1.006 536 R CB 0.492 30.848 30.300 0.094 0.000 2.065 536 R HN 0.304 nan 8.270 nan 0.000 0.525 537 L N 1.414 122.778 121.223 0.234 0.000 2.482 537 L HA 0.431 4.768 4.340 -0.004 0.000 0.263 537 L C -2.548 174.515 176.870 0.321 0.000 0.957 537 L CA -2.069 52.959 54.840 0.314 0.000 0.836 537 L CB 2.227 44.395 42.059 0.181 0.000 1.324 537 L HN 0.426 nan 8.230 nan 0.000 0.406 538 P HA 0.112 nan 4.420 nan 0.000 0.269 538 P C 0.091 177.441 177.300 0.083 0.000 1.209 538 P CA 0.024 63.203 63.100 0.133 0.000 0.776 538 P CB 0.932 32.511 31.700 -0.202 0.000 0.876 539 S N 2.811 118.558 115.700 0.079 0.000 2.377 539 S HA -0.024 4.443 4.470 -0.004 0.000 0.223 539 S C 0.924 175.545 174.600 0.034 0.000 1.030 539 S CA 0.374 58.608 58.200 0.055 0.000 0.970 539 S CB -0.058 63.174 63.200 0.054 0.000 0.830 539 S HN 0.573 nan 8.310 nan 0.000 0.473 540 R N 0.588 121.105 120.500 0.028 0.000 2.564 540 R HA 0.554 4.891 4.340 -0.004 0.000 0.284 540 R C -1.621 174.693 176.300 0.024 0.000 1.031 540 R CA -0.602 55.515 56.100 0.027 0.000 0.904 540 R CB 2.256 32.570 30.300 0.024 0.000 1.199 540 R HN 0.285 nan 8.270 nan 0.000 0.443 541 V N 1.727 121.678 119.914 0.061 0.000 2.667 541 V HA 0.655 4.773 4.120 -0.004 0.000 0.308 541 V C -0.976 175.185 176.094 0.113 0.000 1.048 541 V CA -1.059 61.273 62.300 0.053 0.000 0.928 541 V CB 1.687 33.543 31.823 0.056 0.000 1.004 541 V HN 0.612 nan 8.190 nan 0.000 0.444 542 L N 4.835 126.108 121.223 0.084 0.000 2.295 542 L HA 0.574 4.911 4.340 -0.004 0.000 0.281 542 L C -0.582 176.371 176.870 0.138 0.000 1.018 542 L CA -0.273 54.633 54.840 0.111 0.000 0.841 542 L CB 0.748 42.851 42.059 0.073 0.000 1.218 542 L HN 0.716 nan 8.230 nan 0.000 0.424 543 L N 6.545 127.876 121.223 0.180 0.000 2.260 543 L HA 0.418 4.755 4.340 -0.004 0.000 0.289 543 L C -0.636 176.342 176.870 0.180 0.000 1.057 543 L CA -0.282 54.705 54.840 0.243 0.000 0.811 543 L CB 0.756 42.933 42.059 0.196 0.000 1.184 543 L HN 0.493 nan 8.230 nan 0.000 0.429 544 L N 5.832 127.203 121.223 0.247 0.000 2.305 544 L HA 0.617 4.955 4.340 -0.004 0.000 0.284 544 L C -0.037 177.003 176.870 0.282 0.000 1.013 544 L CA -0.529 54.421 54.840 0.184 0.000 0.819 544 L CB 1.393 43.537 42.059 0.142 0.000 1.227 544 L HN 0.700 nan 8.230 nan 0.000 0.417 545 R N 0.298 120.894 120.500 0.159 0.000 2.836 545 R HA 0.514 4.851 4.340 -0.004 0.000 0.269 545 R C -1.378 175.007 176.300 0.143 0.000 1.010 545 R CA -0.972 55.267 56.100 0.232 0.000 0.930 545 R CB 1.840 32.190 30.300 0.083 0.000 1.218 545 R HN 0.293 nan 8.270 nan 0.000 0.473 546 D N 0.421 120.931 120.400 0.183 0.000 2.351 546 D HA 0.155 4.792 4.640 -0.004 0.000 0.251 546 D C 1.243 177.580 176.300 0.061 0.000 1.137 546 D CA 0.429 54.488 54.000 0.098 0.000 0.879 546 D CB 1.523 42.372 40.800 0.083 0.000 1.181 546 D HN 0.679 nan 8.370 nan 0.000 0.448 547 G N 4.017 112.829 108.800 0.020 0.000 2.516 547 G HA2 -0.270 3.688 3.960 -0.004 0.000 0.221 547 G HA3 -0.270 3.688 3.960 -0.004 0.000 0.221 547 G C 1.415 176.320 174.900 0.007 0.000 1.107 547 G CA 0.436 45.534 45.100 -0.003 0.000 0.747 547 G HN 0.499 nan 8.290 nan 0.000 0.567 548 R N -0.287 120.224 120.500 0.018 0.000 2.119 548 R HA 0.035 4.373 4.340 -0.004 0.000 0.222 548 R C 0.635 176.956 176.300 0.035 0.000 1.088 548 R CA 0.130 56.239 56.100 0.015 0.000 0.984 548 R CB -0.407 29.895 30.300 0.003 0.000 0.884 548 R HN 0.261 nan 8.270 nan 0.000 0.447 549 V N 5.663 125.617 119.914 0.066 0.000 2.450 549 V HA 0.048 4.166 4.120 -0.004 0.000 0.281 549 V C -1.797 174.378 176.094 0.136 0.000 1.019 549 V CA -1.253 61.120 62.300 0.122 0.000 1.062 549 V CB 0.469 32.439 31.823 0.245 0.000 0.979 549 V HN 0.139 nan 8.190 nan 0.000 0.477 550 P HA -0.035 nan 4.420 nan 0.000 0.264 550 P C 0.531 177.906 177.300 0.125 0.000 1.183 550 P CA -0.036 63.114 63.100 0.083 0.000 0.763 550 P CB 0.504 32.245 31.700 0.068 0.000 0.807 551 Q N 0.992 120.832 119.800 0.067 0.000 2.561 551 Q HA -0.158 4.179 4.340 -0.004 0.000 0.217 551 Q C 0.192 176.276 176.000 0.139 0.000 0.980 551 Q CA 1.246 57.090 55.803 0.069 0.000 0.927 551 Q CB -0.620 28.087 28.738 -0.051 0.000 0.980 551 Q HN 0.335 nan 8.270 nan 0.000 0.525 552 D N 1.311 121.778 120.400 0.111 0.000 2.347 552 D HA -0.051 4.586 4.640 -0.004 0.000 0.215 552 D C 1.712 178.056 176.300 0.073 0.000 0.976 552 D CA 1.240 55.283 54.000 0.072 0.000 0.884 552 D CB 0.147 40.971 40.800 0.040 0.000 0.915 552 D HN 0.643 nan 8.370 nan 0.000 0.526 553 E N -0.424 119.861 120.200 0.142 0.000 2.511 553 E HA 0.017 4.364 4.350 -0.004 0.000 0.196 553 E C 0.863 177.285 176.600 -0.296 0.000 1.066 553 E CA 0.322 56.708 56.400 -0.022 0.000 0.871 553 E CB -0.814 28.910 29.700 0.041 0.000 0.863 553 E HN 0.324 nan 8.360 nan 0.000 0.520 554 F N -1.477 118.383 119.950 -0.151 0.000 2.746 554 F HA 0.505 5.030 4.527 -0.004 0.000 0.320 554 F C 2.456 178.132 175.800 -0.207 0.000 1.097 554 F CA -0.180 57.688 58.000 -0.220 0.000 1.195 554 F CB 0.378 39.222 39.000 -0.259 0.000 1.056 554 F HN 0.244 nan 8.300 nan 0.000 0.562 555 A N 0.608 123.419 122.820 -0.016 0.000 1.873 555 A HA -0.239 4.078 4.320 -0.004 0.000 0.218 555 A C 2.161 179.658 177.584 -0.144 0.000 1.193 555 A CA 2.179 54.174 52.037 -0.070 0.000 0.629 555 A CB -0.980 17.987 19.000 -0.054 0.000 0.826 555 A HN 0.349 nan 8.150 nan 0.000 0.447 556 L N -0.581 120.538 121.223 -0.174 0.000 2.093 556 L HA 0.009 4.346 4.340 -0.004 0.000 0.208 556 L C 2.556 179.173 176.870 -0.422 0.000 1.085 556 L CA 2.202 56.880 54.840 -0.268 0.000 0.755 556 L CB -0.601 41.317 42.059 -0.234 0.000 0.904 556 L HN 0.328 nan 8.230 nan 0.000 0.435 557 A N -0.751 121.880 122.820 -0.316 0.000 2.014 557 A HA -0.042 4.275 4.320 -0.004 0.000 0.218 557 A C 2.183 179.575 177.584 -0.321 0.000 1.163 557 A CA 1.464 53.334 52.037 -0.280 0.000 0.652 557 A CB -0.695 18.273 19.000 -0.054 0.000 0.808 557 A HN 0.500 nan 8.150 nan 0.000 0.449 558 L N -0.677 120.354 121.223 -0.319 0.000 2.240 558 L HA -0.087 4.251 4.340 -0.004 0.000 0.211 558 L C 2.408 179.126 176.870 -0.254 0.000 1.106 558 L CA 0.802 55.374 54.840 -0.445 0.000 0.793 558 L CB -0.440 41.380 42.059 -0.399 0.000 0.927 558 L HN 0.414 nan 8.230 nan 0.000 0.446 559 E N 0.544 120.594 120.200 -0.250 0.000 2.076 559 E HA -0.121 4.226 4.350 -0.004 0.000 0.190 559 E C 2.320 178.767 176.600 -0.255 0.000 0.979 559 E CA 1.219 57.498 56.400 -0.202 0.000 0.807 559 E CB -0.009 29.562 29.700 -0.215 0.000 0.761 559 E HN 0.428 nan 8.360 nan 0.000 0.454 560 A N 1.595 124.134 122.820 -0.468 0.000 1.930 560 A HA -0.103 4.214 4.320 -0.004 0.000 0.217 560 A C 2.331 179.743 177.584 -0.285 0.000 1.175 560 A CA 0.836 52.533 52.037 -0.566 0.000 0.627 560 A CB -0.648 17.494 19.000 -1.431 0.000 0.815 560 A HN 0.111 nan 8.150 nan 0.000 0.443 561 L N -0.830 120.275 121.223 -0.197 0.000 2.046 561 L HA -0.211 4.126 4.340 -0.004 0.000 0.208 561 L C 3.095 180.015 176.870 0.083 0.000 1.077 561 L CA 1.183 56.031 54.840 0.014 0.000 0.747 561 L CB -0.523 41.584 42.059 0.080 0.000 0.896 561 L HN 0.451 nan 8.230 nan 0.000 0.432 562 A N -0.407 122.470 122.820 0.096 0.000 1.930 562 A HA -0.194 4.124 4.320 -0.004 0.000 0.217 562 A C 2.407 180.002 177.584 0.019 0.000 1.175 562 A CA 1.280 53.373 52.037 0.093 0.000 0.627 562 A CB -0.454 18.611 19.000 0.107 0.000 0.815 562 A HN 0.274 nan 8.150 nan 0.000 0.443 563 R N -0.592 119.893 120.500 -0.026 0.000 2.075 563 R HA -0.086 4.252 4.340 -0.004 0.000 0.232 563 R C 1.646 177.939 176.300 -0.012 0.000 1.126 563 R CA 1.496 57.575 56.100 -0.035 0.000 0.963 563 R CB -0.131 30.122 30.300 -0.078 0.000 0.858 563 R HN 0.635 nan 8.270 nan 0.000 0.435 564 E N -0.581 119.614 120.200 -0.008 0.000 2.416 564 E HA 0.017 4.365 4.350 -0.004 0.000 0.189 564 E C 0.057 176.674 176.600 0.029 0.000 1.091 564 E CA 0.286 56.696 56.400 0.016 0.000 0.889 564 E CB 0.145 29.855 29.700 0.017 0.000 1.015 564 E HN 0.545 nan 8.360 nan 0.000 0.479 565 G N 1.475 110.291 108.800 0.026 0.000 2.283 565 G HA2 -0.282 3.675 3.960 -0.004 0.000 0.280 565 G HA3 -0.282 3.675 3.960 -0.004 0.000 0.280 565 G C 0.058 174.980 174.900 0.036 0.000 1.029 565 G CA 0.421 45.537 45.100 0.027 0.000 0.840 565 G HN 0.314 nan 8.290 nan 0.000 0.505 566 I N 0.713 121.316 120.570 0.055 0.000 2.354 566 I HA 0.594 4.761 4.170 -0.004 0.000 0.292 566 I C 0.761 176.932 176.117 0.090 0.000 0.989 566 I CA -0.679 60.664 61.300 0.072 0.000 1.188 566 I CB 1.754 39.806 38.000 0.086 0.000 1.342 566 I HN 0.273 nan 8.210 nan 0.000 0.457 567 A N 6.852 129.688 122.820 0.028 0.000 2.322 567 A HA 0.711 5.029 4.320 -0.004 0.000 0.269 567 A C -0.886 176.713 177.584 0.025 0.000 1.094 567 A CA -0.021 51.970 52.037 -0.076 0.000 0.807 567 A CB 0.448 19.394 19.000 -0.090 0.000 1.047 567 A HN 0.750 nan 8.150 nan 0.000 0.487 568 Y N -1.381 118.934 120.300 0.025 0.000 2.728 568 Y HA 0.804 5.353 4.550 -0.003 0.000 0.330 568 Y C -1.292 174.645 175.900 0.061 0.000 1.234 568 Y CA -1.427 56.697 58.100 0.040 0.000 1.070 568 Y CB 1.374 39.858 38.460 0.041 0.000 1.300 568 Y HN 0.449 nan 8.280 nan 0.000 0.467 569 D N 1.478 122.134 120.400 0.425 0.000 2.891 569 D HA 0.251 4.889 4.640 -0.004 0.000 0.224 569 D C -2.043 174.427 176.300 0.283 0.000 1.321 569 D CA -0.290 53.927 54.000 0.362 0.000 0.929 569 D CB 3.019 43.996 40.800 0.294 0.000 1.551 569 D HN 0.588 nan 8.370 nan 0.000 0.574 570 L N 2.863 124.204 121.223 0.197 0.000 2.265 570 L HA 0.494 4.831 4.340 -0.004 0.000 0.289 570 L C -1.333 175.567 176.870 0.050 0.000 1.033 570 L CA -0.393 54.459 54.840 0.020 0.000 0.814 570 L CB 1.397 43.373 42.059 -0.138 0.000 1.203 570 L HN 0.139 nan 8.230 nan 0.000 0.423 571 V N 3.967 123.911 119.914 0.050 0.000 2.531 571 V HA 0.554 4.672 4.120 -0.004 0.000 0.301 571 V C -0.216 175.874 176.094 -0.008 0.000 1.034 571 V CA -0.540 61.808 62.300 0.079 0.000 0.865 571 V CB 1.940 33.851 31.823 0.147 0.000 0.995 571 V HN 0.864 nan 8.190 nan 0.000 0.424 572 S N 4.170 119.848 115.700 -0.037 0.000 2.480 572 S HA 0.767 5.234 4.470 -0.004 0.000 0.286 572 S C -0.639 173.930 174.600 -0.052 0.000 1.180 572 S CA -0.665 57.503 58.200 -0.053 0.000 1.075 572 S CB 1.662 64.821 63.200 -0.068 0.000 0.996 572 S HN 0.430 nan 8.310 nan 0.000 0.487 573 V N 3.503 123.399 119.914 -0.029 0.000 2.435 573 V HA 0.512 4.630 4.120 -0.004 0.000 0.290 573 V C 0.305 176.380 176.094 -0.032 0.000 1.030 573 V CA -0.787 61.487 62.300 -0.042 0.000 0.881 573 V CB 1.362 33.182 31.823 -0.005 0.000 0.983 573 V HN 0.971 nan 8.190 nan 0.000 0.445 574 R N 3.656 124.124 120.500 -0.053 0.000 2.278 574 R HA 0.346 4.683 4.340 -0.004 0.000 0.322 574 R C 0.990 177.277 176.300 -0.023 0.000 1.058 574 R CA -0.442 55.638 56.100 -0.034 0.000 0.991 574 R CB 0.501 30.774 30.300 -0.044 0.000 1.140 574 R HN 0.719 nan 8.270 nan 0.000 0.518 575 K N 0.737 121.135 120.400 -0.003 0.000 2.044 575 K HA -0.115 4.203 4.320 -0.004 0.000 0.210 575 K C 0.634 177.238 176.600 0.007 0.000 1.049 575 K CA 1.662 57.953 56.287 0.007 0.000 0.927 575 K CB -0.045 32.468 32.500 0.020 0.000 0.713 575 K HN 0.549 nan 8.250 nan 0.000 0.443 576 S N -1.594 114.111 115.700 0.009 0.000 2.536 576 S HA 0.575 5.042 4.470 -0.004 0.000 0.298 576 S C 0.565 175.172 174.600 0.012 0.000 1.083 576 S CA -0.366 57.843 58.200 0.015 0.000 0.995 576 S CB 1.915 65.129 63.200 0.024 0.000 1.058 576 S HN 0.477 nan 8.310 nan 0.000 0.488 577 G N 0.905 109.716 108.800 0.018 0.000 2.136 577 G HA2 -0.169 3.789 3.960 -0.004 0.000 0.242 577 G HA3 -0.169 3.789 3.960 -0.004 0.000 0.242 577 G C 0.852 175.761 174.900 0.014 0.000 0.989 577 G CA 0.218 45.331 45.100 0.022 0.000 0.682 577 G HN 1.525 nan 8.290 nan 0.000 0.522 578 G N -0.486 108.313 108.800 -0.002 0.000 2.484 578 G HA2 0.536 4.494 3.960 -0.004 0.000 0.218 578 G HA3 0.536 4.494 3.960 -0.004 0.000 0.218 578 G C 1.267 176.165 174.900 -0.004 0.000 1.130 578 G CA 1.639 46.729 45.100 -0.017 0.000 0.784 578 G HN 2.140 nan 8.290 nan 0.000 0.543 579 G N -0.872 107.928 108.800 0.001 0.000 2.381 579 G HA2 0.208 4.166 3.960 -0.004 0.000 0.672 579 G HA3 0.208 4.166 3.960 -0.004 0.000 0.672 579 G C -0.945 173.922 174.900 -0.055 0.000 1.324 579 G CA -0.942 44.158 45.100 0.001 0.000 0.975 579 G HN 0.414 nan 8.290 nan 0.000 0.593 580 R N -1.256 119.179 120.500 -0.109 0.000 2.856 580 R HA 0.881 5.218 4.340 -0.004 0.000 0.258 580 R C -0.786 175.252 176.300 -0.437 0.000 1.066 580 R CA -0.924 55.008 56.100 -0.279 0.000 1.045 580 R CB 1.458 31.552 30.300 -0.343 0.000 1.178 580 R HN 0.842 nan 8.270 nan 0.000 0.499 581 V N 1.690 121.238 119.914 -0.609 0.000 2.686 581 V HA 0.421 4.539 4.120 -0.004 0.000 0.306 581 V C -1.601 174.128 176.094 -0.609 0.000 1.065 581 V CA -0.754 61.252 62.300 -0.490 0.000 0.894 581 V CB 1.773 33.437 31.823 -0.267 0.000 1.004 581 V HN 0.559 nan 8.190 nan 0.000 0.424 582 Y N 5.376 125.686 120.300 0.017 0.000 2.425 582 Y HA 0.599 5.146 4.550 -0.004 0.000 0.344 582 Y C -2.265 173.665 175.900 0.050 0.000 0.969 582 Y CA -3.092 55.032 58.100 0.041 0.000 1.052 582 Y CB 2.031 40.612 38.460 0.200 0.000 1.215 582 Y HN 0.398 nan 8.280 nan 0.000 0.451 583 P HA 0.029 nan 4.420 nan 0.000 0.272 583 P C 0.680 178.075 177.300 0.158 0.000 1.223 583 P CA -0.049 63.078 63.100 0.046 0.000 0.784 583 P CB 1.916 33.609 31.700 -0.012 0.000 0.923 584 V N -1.499 118.381 119.914 -0.057 0.000 2.535 584 V HA 0.164 4.281 4.120 -0.004 0.000 0.246 584 V C 1.024 177.172 176.094 0.090 0.000 1.045 584 V CA 1.762 63.990 62.300 -0.121 0.000 1.058 584 V CB -1.815 29.750 31.823 -0.429 0.000 0.689 584 V HN 0.670 nan 8.190 nan 0.000 0.461 585 Q N -0.815 119.015 119.800 0.049 0.000 2.605 585 Q HA 0.615 4.952 4.340 -0.004 0.000 0.228 585 Q C -0.181 175.857 176.000 0.062 0.000 0.805 585 Q CA 0.651 56.502 55.803 0.080 0.000 0.894 585 Q CB 0.688 29.456 28.738 0.050 0.000 1.469 585 Q HN 1.911 nan 8.270 nan 0.000 0.445 586 G N 0.673 109.536 108.800 0.105 0.000 2.233 586 G HA2 0.299 4.256 3.960 -0.004 0.000 0.162 586 G HA3 0.299 4.256 3.960 -0.004 0.000 0.162 586 G C -1.098 173.860 174.900 0.096 0.000 1.327 586 G CA -0.133 45.018 45.100 0.085 0.000 1.187 586 G HN 0.757 nan 8.290 nan 0.000 0.479 587 R N -0.333 120.182 120.500 0.025 0.000 2.750 587 R HA 0.653 4.991 4.340 -0.004 0.000 0.281 587 R C -0.351 175.878 176.300 -0.118 0.000 0.972 587 R CA -0.819 55.261 56.100 -0.034 0.000 0.912 587 R CB 1.588 31.899 30.300 0.018 0.000 1.187 587 R HN 0.468 nan 8.270 nan 0.000 0.464 588 L N 2.327 123.407 121.223 -0.238 0.000 2.397 588 L HA 0.395 4.732 4.340 -0.004 0.000 0.271 588 L C 0.293 177.085 176.870 -0.131 0.000 1.148 588 L CA -0.161 54.548 54.840 -0.218 0.000 0.825 588 L CB 1.290 43.158 42.059 -0.317 0.000 1.117 588 L HN 0.673 nan 8.230 nan 0.000 0.456 589 A N 2.560 125.318 122.820 -0.104 0.000 2.354 589 A HA 0.482 4.799 4.320 -0.004 0.000 0.321 589 A C -0.728 176.809 177.584 -0.079 0.000 1.125 589 A CA -0.787 51.213 52.037 -0.062 0.000 0.799 589 A CB 0.962 19.936 19.000 -0.043 0.000 1.293 589 A HN 0.651 nan 8.150 nan 0.000 0.452 590 D N -0.017 120.360 120.400 -0.038 0.000 2.360 590 D HA 0.384 5.021 4.640 -0.004 0.000 0.242 590 D C 1.249 177.370 176.300 -0.299 0.000 1.184 590 D CA 1.665 55.626 54.000 -0.065 0.000 0.930 590 D CB 0.668 41.538 40.800 0.115 0.000 1.161 590 D HN 1.219 nan 8.370 nan 0.000 0.447 591 G N 0.963 109.305 108.800 -0.763 0.000 2.305 591 G HA2 -0.283 3.674 3.960 -0.004 0.000 0.287 591 G HA3 -0.283 3.674 3.960 -0.004 0.000 0.287 591 G C 0.176 174.754 174.900 -0.537 0.000 1.036 591 G CA 0.155 44.397 45.100 -1.431 0.000 0.887 591 G HN 0.417 nan 8.290 nan 0.000 0.505 592 L N 0.581 121.628 121.223 -0.294 0.000 2.278 592 L HA 0.592 4.930 4.340 -0.004 0.000 0.287 592 L C 0.324 177.176 176.870 -0.029 0.000 1.072 592 L CA -1.356 53.404 54.840 -0.133 0.000 0.819 592 L CB 0.432 42.412 42.059 -0.132 0.000 1.176 592 L HN 0.277 nan 8.230 nan 0.000 0.435 593 Y N 5.576 125.822 120.300 -0.091 0.000 2.353 593 Y HA 0.489 5.036 4.550 -0.004 0.000 0.340 593 Y C -0.992 174.929 175.900 0.035 0.000 0.972 593 Y CA -0.946 57.152 58.100 -0.004 0.000 1.157 593 Y CB 1.133 39.576 38.460 -0.029 0.000 1.157 593 Y HN 0.233 nan 8.280 nan 0.000 0.495 594 V N 10.067 129.836 119.914 -0.243 0.000 2.257 594 V HA 0.320 4.438 4.120 -0.004 0.000 0.269 594 V C -2.213 173.671 176.094 -0.351 0.000 1.040 594 V CA -2.131 59.956 62.300 -0.357 0.000 0.813 594 V CB 0.721 32.440 31.823 -0.172 0.000 1.065 594 V HN 0.745 nan 8.190 nan 0.000 0.457 595 P HA 0.050 nan 4.420 nan 0.000 0.264 595 P C -0.217 177.046 177.300 -0.062 0.000 1.179 595 P CA 0.352 63.303 63.100 -0.248 0.000 0.763 595 P CB 0.884 32.482 31.700 -0.170 0.000 0.806 596 L N 2.624 123.877 121.223 0.050 0.000 2.876 596 L HA 0.433 4.771 4.340 -0.004 0.000 0.227 596 L C 2.203 179.095 176.870 0.038 0.000 2.036 596 L CA 0.531 55.393 54.840 0.036 0.000 2.532 596 L CB -1.125 40.961 42.059 0.045 0.000 2.567 596 L HN 0.410 nan 8.230 nan 0.000 0.601 597 E N -0.089 120.126 120.200 0.024 0.000 1.964 597 E HA 0.142 4.490 4.350 -0.004 0.000 0.209 597 E C 0.252 176.868 176.600 0.028 0.000 0.988 597 E CA 1.712 58.117 56.400 0.009 0.000 0.875 597 E CB -1.597 28.079 29.700 -0.040 0.000 0.813 597 E HN 0.777 nan 8.360 nan 0.000 0.533 598 D N -1.532 118.885 120.400 0.029 0.000 2.764 598 D HA 0.580 5.217 4.640 -0.004 0.000 0.227 598 D C 0.279 176.620 176.300 0.068 0.000 1.347 598 D CA 0.231 54.260 54.000 0.049 0.000 0.953 598 D CB 0.472 41.288 40.800 0.026 0.000 1.476 598 D HN 0.523 nan 8.370 nan 0.000 0.585 599 K N -1.102 119.373 120.400 0.125 0.000 3.604 599 K HA -0.146 4.171 4.320 -0.004 0.000 0.271 599 K C 0.623 177.354 176.600 0.218 0.000 1.180 599 K CA 1.542 57.935 56.287 0.177 0.000 1.017 599 K CB -1.434 31.130 32.500 0.107 0.000 1.292 599 K HN 1.105 nan 8.250 nan 0.000 0.501 600 T N -0.958 113.696 114.554 0.167 0.000 2.885 600 T HA 0.742 5.090 4.350 -0.004 0.000 0.285 600 T C -0.293 174.551 174.700 0.240 0.000 1.019 600 T CA -0.475 61.702 62.100 0.129 0.000 1.010 600 T CB 1.536 70.408 68.868 0.007 0.000 1.022 600 T HN 0.323 nan 8.240 nan 0.000 0.466 601 F N 0.203 120.185 119.950 0.054 0.000 2.711 601 F HA 0.800 5.325 4.527 -0.003 0.000 0.313 601 F C -2.285 173.537 175.800 0.037 0.000 1.141 601 F CA -1.793 56.236 58.000 0.050 0.000 0.941 601 F CB 1.098 40.199 39.000 0.168 0.000 1.349 601 F HN 0.587 nan 8.300 nan 0.000 0.464 602 L N 2.352 123.672 121.223 0.162 0.000 2.334 602 L HA 0.683 5.021 4.340 -0.004 0.000 0.276 602 L C -1.375 175.617 176.870 0.204 0.000 1.014 602 L CA -1.085 53.775 54.840 0.032 0.000 0.815 602 L CB 1.852 43.907 42.059 -0.007 0.000 1.268 602 L HN 0.652 nan 8.230 nan 0.000 0.428 603 L N 3.788 125.066 121.223 0.091 0.000 2.409 603 L HA 0.497 4.835 4.340 -0.004 0.000 0.272 603 L C -1.094 175.787 176.870 0.019 0.000 0.980 603 L CA -0.150 54.779 54.840 0.147 0.000 0.826 603 L CB 1.853 44.052 42.059 0.232 0.000 1.268 603 L HN 0.468 nan 8.230 nan 0.000 0.407 604 L N 4.565 125.764 121.223 -0.040 0.000 2.321 604 L HA 0.320 4.657 4.340 -0.004 0.000 0.272 604 L C 0.992 177.806 176.870 -0.094 0.000 1.050 604 L CA 0.047 54.846 54.840 -0.069 0.000 0.893 604 L CB 1.053 43.052 42.059 -0.100 0.000 1.272 604 L HN 0.934 nan 8.230 nan 0.000 0.435 605 T N 0.369 114.920 114.554 -0.005 0.000 3.014 605 T HA 0.030 4.378 4.350 -0.004 0.000 0.263 605 T C 0.513 175.295 174.700 0.137 0.000 1.078 605 T CA 0.369 62.531 62.100 0.102 0.000 1.135 605 T CB 0.355 69.338 68.868 0.192 0.000 0.895 605 T HN 0.258 nan 8.240 nan 0.000 0.480 606 V N 1.277 121.239 119.914 0.079 0.000 2.569 606 V HA 0.658 4.776 4.120 -0.004 0.000 0.301 606 V C -0.475 175.653 176.094 0.056 0.000 1.044 606 V CA -0.162 62.197 62.300 0.098 0.000 0.874 606 V CB 1.119 33.007 31.823 0.108 0.000 1.002 606 V HN 0.848 nan 8.190 nan 0.000 0.424 613 T N 3.225 117.892 114.554 0.189 0.000 2.767 613 T HA 0.664 5.012 4.350 -0.004 0.000 0.288 613 T C -1.587 173.189 174.700 0.127 0.000 0.963 613 T CA -1.354 60.877 62.100 0.218 0.000 1.019 613 T CB 0.878 69.923 68.868 0.296 0.000 0.923 613 T HN 0.465 nan 8.240 nan 0.000 0.468 614 P HA 0.069 nan 4.420 nan 0.000 0.266 614 P C -0.768 176.535 177.300 0.005 0.000 1.186 614 P CA 0.054 63.169 63.100 0.025 0.000 0.767 614 P CB 0.449 32.135 31.700 -0.024 0.000 0.820 615 R N 2.960 123.464 120.500 0.006 0.000 2.396 615 R HA 0.309 4.646 4.340 -0.004 0.000 0.292 615 R C -1.888 174.401 176.300 -0.018 0.000 1.240 615 R CA -1.703 54.395 56.100 -0.002 0.000 1.270 615 R CB 0.898 31.209 30.300 0.020 0.000 1.108 615 R HN 0.471 nan 8.270 nan 0.000 0.573 616 P HA -0.054 nan 4.420 nan 0.000 0.269 616 P C -0.249 177.028 177.300 -0.038 0.000 1.217 616 P CA 0.067 63.140 63.100 -0.044 0.000 0.783 616 P CB 1.040 32.699 31.700 -0.068 0.000 0.898 617 L N 1.111 122.311 121.223 -0.038 0.000 2.399 617 L HA 0.350 4.687 4.340 -0.004 0.000 0.266 617 L C 1.081 177.881 176.870 -0.116 0.000 1.114 617 L CA -0.385 54.419 54.840 -0.060 0.000 0.804 617 L CB 0.376 42.405 42.059 -0.049 0.000 1.146 617 L HN 0.385 nan 8.230 nan 0.000 0.451 618 K N 2.727 123.043 120.400 -0.140 0.000 2.521 618 K HA 0.491 4.808 4.320 -0.004 0.000 0.248 618 K C -1.461 174.976 176.600 -0.272 0.000 0.978 618 K CA -0.551 55.621 56.287 -0.192 0.000 0.947 618 K CB 0.636 33.069 32.500 -0.112 0.000 1.165 618 K HN 0.310 nan 8.250 nan 0.000 0.445 619 L N 3.195 124.096 121.223 -0.536 0.000 2.343 619 L HA 0.503 4.841 4.340 -0.004 0.000 0.275 619 L C -0.604 176.048 176.870 -0.364 0.000 1.056 619 L CA -0.855 53.669 54.840 -0.528 0.000 0.804 619 L CB 1.810 43.383 42.059 -0.810 0.000 1.203 619 L HN 0.202 nan 8.230 nan 0.000 0.440 620 V N 0.863 120.696 119.914 -0.135 0.000 2.447 620 V HA 0.204 4.322 4.120 -0.004 0.000 0.292 620 V C -0.738 175.414 176.094 0.097 0.000 1.021 620 V CA -0.693 61.605 62.300 -0.005 0.000 0.850 620 V CB 1.119 32.923 31.823 -0.032 0.000 1.005 620 V HN 0.671 nan 8.190 nan 0.000 0.426 621 H N 3.482 122.599 119.070 0.078 0.000 3.089 621 H HA 0.235 4.788 4.556 -0.005 0.000 0.262 621 H C 0.917 176.269 175.328 0.041 0.000 1.160 621 H CA 0.332 56.432 56.048 0.087 0.000 1.482 621 H CB 0.616 30.459 29.762 0.135 0.000 1.511 621 H HN 0.722 nan 8.280 nan 0.000 0.483 622 E N 3.055 123.182 120.200 -0.122 0.000 2.364 622 E HA 0.309 4.657 4.350 -0.004 0.000 0.196 622 E C -0.178 176.292 176.600 -0.216 0.000 0.990 622 E CA 0.384 56.691 56.400 -0.156 0.000 0.886 622 E CB 0.711 30.345 29.700 -0.111 0.000 0.866 622 E HN 0.575 nan 8.360 nan 0.000 0.493 623 A N 0.550 123.192 122.820 -0.298 0.000 2.547 623 A HA 0.688 5.006 4.320 -0.004 0.000 0.297 623 A C -0.306 177.184 177.584 -0.156 0.000 1.056 623 A CA -0.139 51.810 52.037 -0.146 0.000 0.688 623 A CB 1.532 20.567 19.000 0.058 0.000 1.282 623 A HN 0.145 nan 8.150 nan 0.000 0.400 624 G N -1.028 107.723 108.800 -0.082 0.000 2.515 624 G HA2 0.544 4.502 3.960 -0.004 0.000 0.686 624 G HA3 0.544 4.502 3.960 -0.004 0.000 0.686 624 G C -0.611 174.332 174.900 0.073 0.000 1.274 624 G CA 0.297 45.386 45.100 -0.017 0.000 0.874 624 G HN 2.022 nan 8.290 nan 0.000 0.631 625 D N -0.366 120.089 120.400 0.092 0.000 2.739 625 D HA 0.666 5.303 4.640 -0.004 0.000 0.335 625 D C 0.257 176.601 176.300 0.072 0.000 1.216 625 D CA 0.583 54.649 54.000 0.110 0.000 0.808 625 D CB 0.578 41.385 40.800 0.011 0.000 1.121 625 D HN 0.833 nan 8.370 nan 0.000 0.499 626 T N 2.382 116.989 114.554 0.088 0.000 2.792 626 T HA 0.647 4.994 4.350 -0.004 0.000 0.280 626 T C -2.525 172.090 174.700 -0.143 0.000 0.990 626 T CA -1.225 60.844 62.100 -0.052 0.000 0.960 626 T CB 1.919 70.744 68.868 -0.072 0.000 0.939 626 T HN 0.239 nan 8.240 nan 0.000 0.439 627 P HA 0.058 nan 4.420 nan 0.000 0.264 627 P C 0.891 178.037 177.300 -0.256 0.000 1.179 627 P CA -0.082 62.923 63.100 -0.158 0.000 0.763 627 P CB 0.904 32.515 31.700 -0.148 0.000 0.806 628 L N 1.756 122.826 121.223 -0.255 0.000 1.970 628 L HA -0.225 4.112 4.340 -0.004 0.000 0.212 628 L C 2.644 179.139 176.870 -0.624 0.000 1.071 628 L CA 1.964 56.573 54.840 -0.385 0.000 0.751 628 L CB -0.809 41.116 42.059 -0.224 0.000 0.889 628 L HN 0.497 nan 8.230 nan 0.000 0.432 629 E N 0.009 119.849 120.200 -0.600 0.000 2.187 629 E HA -0.304 4.043 4.350 -0.004 0.000 0.199 629 E C 2.059 178.308 176.600 -0.584 0.000 1.004 629 E CA 1.309 57.192 56.400 -0.862 0.000 0.813 629 E CB 0.022 29.396 29.700 -0.543 0.000 0.736 629 E HN 0.511 nan 8.360 nan 0.000 0.468 630 A N 0.402 122.988 122.820 -0.391 0.000 1.855 630 A HA -0.144 4.174 4.320 -0.004 0.000 0.215 630 A C 2.035 179.510 177.584 -0.181 0.000 1.191 630 A CA 1.010 52.896 52.037 -0.251 0.000 0.613 630 A CB -0.560 18.324 19.000 -0.193 0.000 0.829 630 A HN 0.282 nan 8.150 nan 0.000 0.442 631 L N -0.152 120.929 121.223 -0.236 0.000 2.012 631 L HA -0.155 4.183 4.340 -0.004 0.000 0.210 631 L C 3.000 179.814 176.870 -0.093 0.000 1.073 631 L CA 1.995 56.755 54.840 -0.134 0.000 0.748 631 L CB -1.202 40.767 42.059 -0.149 0.000 0.891 631 L HN 0.420 nan 8.230 nan 0.000 0.431 632 A N -1.603 121.015 122.820 -0.337 0.000 1.892 632 A HA -0.310 4.008 4.320 -0.004 0.000 0.218 632 A C 2.384 179.919 177.584 -0.082 0.000 1.188 632 A CA 1.957 53.842 52.037 -0.253 0.000 0.631 632 A CB -1.020 17.449 19.000 -0.885 0.000 0.822 632 A HN 0.630 nan 8.150 nan 0.000 0.447 633 H N -0.522 118.385 119.070 -0.271 0.000 2.319 633 H HA -0.213 4.341 4.556 -0.003 0.000 0.297 633 H C 2.272 177.457 175.328 -0.239 0.000 1.097 633 H CA 2.348 58.243 56.048 -0.255 0.000 1.285 633 H CB -0.107 29.477 29.762 -0.297 0.000 1.368 633 H HN 0.710 nan 8.280 nan 0.000 0.495 634 Q N 0.205 119.990 119.800 -0.024 0.000 2.016 634 Q HA -0.097 4.240 4.340 -0.004 0.000 0.200 634 Q C 2.611 178.571 176.000 -0.067 0.000 0.978 634 Q CA 1.505 57.307 55.803 -0.002 0.000 0.833 634 Q CB 0.035 28.846 28.738 0.121 0.000 0.895 634 Q HN 0.420 nan 8.270 nan 0.000 0.427 635 I N 0.912 121.497 120.570 0.024 0.000 2.145 635 I HA -0.288 3.880 4.170 -0.004 0.000 0.244 635 I C 2.371 178.553 176.117 0.108 0.000 1.075 635 I CA 1.501 62.847 61.300 0.077 0.000 1.332 635 I CB -1.114 36.985 38.000 0.164 0.000 1.033 635 I HN 0.373 nan 8.210 nan 0.000 0.410 636 F N 1.840 121.763 119.950 -0.046 0.000 2.134 636 F HA -0.199 4.325 4.527 -0.004 0.000 0.299 636 F C 2.631 178.430 175.800 -0.000 0.000 1.097 636 F CA 1.688 59.671 58.000 -0.029 0.000 1.264 636 F CB -0.958 38.017 39.000 -0.042 0.000 1.001 636 F HN 0.173 nan 8.300 nan 0.000 0.479 637 H N -0.220 118.569 119.070 -0.467 0.000 2.357 637 H HA -0.060 4.494 4.556 -0.004 0.000 0.301 637 H C 2.251 177.308 175.328 -0.452 0.000 1.082 637 H CA 1.139 56.812 56.048 -0.625 0.000 1.342 637 H CB -0.212 29.279 29.762 -0.453 0.000 1.389 637 H HN 0.257 nan 8.280 nan 0.000 0.511 638 L N 0.388 121.501 121.223 -0.184 0.000 2.447 638 L HA -0.161 4.177 4.340 -0.004 0.000 0.225 638 L C 2.262 179.071 176.870 -0.101 0.000 1.148 638 L CA 0.672 55.423 54.840 -0.148 0.000 0.808 638 L CB -0.281 41.722 42.059 -0.093 0.000 0.928 638 L HN 0.288 nan 8.230 nan 0.000 0.448 639 T N -0.797 113.674 114.554 -0.139 0.000 2.821 639 T HA -0.137 4.211 4.350 -0.004 0.000 0.267 639 T C 1.792 176.422 174.700 -0.117 0.000 1.046 639 T CA 1.101 63.141 62.100 -0.100 0.000 1.139 639 T CB -0.049 68.771 68.868 -0.080 0.000 0.871 639 T HN 0.209 nan 8.240 nan 0.000 0.454 640 R N 0.767 121.072 120.500 -0.324 0.000 2.313 640 R HA 0.261 4.598 4.340 -0.004 0.000 0.199 640 R C 1.121 177.417 176.300 -0.006 0.000 0.958 640 R CA 0.079 55.975 56.100 -0.341 0.000 1.047 640 R CB -0.090 29.711 30.300 -0.831 0.000 0.955 640 R HN 0.219 nan 8.270 nan 0.000 0.481 641 L N 0.721 121.939 121.223 -0.008 0.000 2.737 641 L HA 0.162 4.500 4.340 -0.004 0.000 0.236 641 L C -0.677 176.278 176.870 0.142 0.000 1.219 641 L CA 0.121 54.974 54.840 0.022 0.000 1.021 641 L CB -0.433 41.598 42.059 -0.047 0.000 1.291 641 L HN 0.196 nan 8.230 nan 0.000 0.470 642 Y N 2.666 123.007 120.300 0.068 0.000 2.404 642 Y HA 0.299 4.846 4.550 -0.004 0.000 0.344 642 Y C -1.229 174.701 175.900 0.050 0.000 0.970 642 Y CA -2.658 55.490 58.100 0.080 0.000 1.180 642 Y CB 0.917 39.441 38.460 0.107 0.000 1.138 642 Y HN 0.050 nan 8.280 nan 0.000 0.510 643 P HA -0.216 nan 4.420 nan 0.000 0.215 643 P C 0.463 177.520 177.300 -0.405 0.000 1.157 643 P CA 1.731 64.627 63.100 -0.340 0.000 0.874 643 P CB 0.144 31.659 31.700 -0.309 0.000 0.790 644 A N -0.858 121.521 122.820 -0.734 0.000 2.543 644 A HA 0.291 4.608 4.320 -0.004 0.000 0.258 644 A C 1.458 178.970 177.584 -0.120 0.000 1.391 644 A CA 0.383 52.176 52.037 -0.406 0.000 1.066 644 A CB -0.887 17.884 19.000 -0.381 0.000 0.972 644 A HN 0.221 nan 8.150 nan 0.000 0.560 645 S N -1.629 114.045 115.700 -0.042 0.000 2.976 645 S HA 0.224 4.691 4.470 -0.004 0.000 0.252 645 S C 1.359 175.969 174.600 0.016 0.000 0.940 645 S CA 0.509 58.765 58.200 0.093 0.000 1.283 645 S CB -0.525 62.808 63.200 0.221 0.000 1.194 645 S HN 1.036 nan 8.310 nan 0.000 0.662 646 G N 0.701 109.428 108.800 -0.122 0.000 4.818 646 G HA2 -0.230 3.727 3.960 -0.004 0.000 0.209 646 G HA3 -0.230 3.727 3.960 -0.004 0.000 0.209 646 G C 0.372 174.772 174.900 -0.833 0.000 1.089 646 G CA 1.357 46.206 45.100 -0.418 0.000 0.626 646 G HN 0.610 nan 8.290 nan 0.000 0.807 647 F N -1.316 118.433 119.950 -0.336 0.000 2.883 647 F HA 0.542 5.067 4.527 -0.004 0.000 0.351 647 F C 0.858 176.453 175.800 -0.341 0.000 0.970 647 F CA 0.077 57.876 58.000 -0.334 0.000 1.130 647 F CB 0.597 39.381 39.000 -0.359 0.000 1.015 647 F HN 0.276 nan 8.300 nan 0.000 0.585 648 A N 0.472 123.164 122.820 -0.213 0.000 2.456 648 A HA 0.614 4.932 4.320 -0.004 0.000 0.288 648 A C -1.198 176.235 177.584 -0.251 0.000 1.042 648 A CA -0.460 51.444 52.037 -0.221 0.000 0.738 648 A CB 0.065 19.041 19.000 -0.040 0.000 1.266 648 A HN 0.042 nan 8.150 nan 0.000 0.407 649 F N 2.053 122.014 119.950 0.018 0.000 2.410 649 F HA 0.508 5.033 4.527 -0.004 0.000 0.334 649 F C -1.767 173.973 175.800 -0.100 0.000 1.134 649 F CA -1.400 56.589 58.000 -0.018 0.000 1.227 649 F CB 0.491 39.479 39.000 -0.021 0.000 1.194 649 F HN 0.311 nan 8.300 nan 0.000 0.571 650 P HA 0.247 nan 4.420 nan 0.000 0.276 650 P C 0.282 177.506 177.300 -0.126 0.000 1.244 650 P CA -0.587 62.310 63.100 -0.339 0.000 0.801 650 P CB 0.915 32.002 31.700 -1.021 0.000 1.006 651 R N 0.902 121.344 120.500 -0.096 0.000 2.148 651 R HA 0.005 4.343 4.340 -0.004 0.000 0.223 651 R C 0.204 176.505 176.300 0.002 0.000 1.088 651 R CA 0.980 57.076 56.100 -0.007 0.000 0.985 651 R CB -0.289 30.017 30.300 0.009 0.000 0.880 651 R HN 0.307 nan 8.270 nan 0.000 0.451 652 L N 0.502 121.707 121.223 -0.031 0.000 2.387 652 L HA 0.429 4.766 4.340 -0.004 0.000 0.266 652 L C -2.188 174.691 176.870 0.015 0.000 1.059 652 L CA -2.466 52.385 54.840 0.018 0.000 0.801 652 L CB 0.950 43.046 42.059 0.061 0.000 1.223 652 L HN -0.109 nan 8.230 nan 0.000 0.456 653 P HA 0.075 nan 4.420 nan 0.000 0.271 653 P C 0.026 177.372 177.300 0.076 0.000 1.220 653 P CA 0.013 63.140 63.100 0.044 0.000 0.768 653 P CB 1.008 32.737 31.700 0.049 0.000 0.848 654 A N 6.962 129.832 122.820 0.084 0.000 1.923 654 A HA -0.223 4.095 4.320 -0.004 0.000 0.222 654 A C -0.410 177.275 177.584 0.169 0.000 1.258 654 A CA 2.300 54.441 52.037 0.174 0.000 0.670 654 A CB -2.611 16.493 19.000 0.174 0.000 0.834 654 A HN 0.492 nan 8.150 nan 0.000 0.470 655 P HA -0.164 nan 4.420 nan 0.000 0.216 655 P C 1.460 178.808 177.300 0.080 0.000 1.154 655 P CA 1.196 64.343 63.100 0.078 0.000 0.865 655 P CB -0.108 31.614 31.700 0.037 0.000 0.789 656 L N -2.794 118.486 121.223 0.095 0.000 2.162 656 L HA -0.082 4.256 4.340 -0.004 0.000 0.205 656 L C 2.591 179.520 176.870 0.097 0.000 1.086 656 L CA 0.996 55.895 54.840 0.098 0.000 0.778 656 L CB -0.859 41.262 42.059 0.103 0.000 0.928 656 L HN 0.019 nan 8.230 nan 0.000 0.446 657 H N 0.195 119.268 119.070 0.005 0.000 2.457 657 H HA -0.103 4.451 4.556 -0.004 0.000 0.294 657 H C 2.034 177.373 175.328 0.018 0.000 1.064 657 H CA 1.475 57.490 56.048 -0.055 0.000 1.330 657 H CB 0.151 29.789 29.762 -0.207 0.000 1.395 657 H HN 0.161 nan 8.280 nan 0.000 0.541 658 L N -0.837 120.435 121.223 0.082 0.000 2.162 658 L HA 0.056 4.393 4.340 -0.004 0.000 0.205 658 L C 2.754 179.643 176.870 0.032 0.000 1.086 658 L CA 0.794 55.760 54.840 0.211 0.000 0.778 658 L CB -0.455 41.823 42.059 0.365 0.000 0.928 658 L HN 0.358 nan 8.230 nan 0.000 0.446 659 A N 0.068 122.877 122.820 -0.018 0.000 1.933 659 A HA -0.290 4.028 4.320 -0.004 0.000 0.218 659 A C 1.943 179.458 177.584 -0.115 0.000 1.175 659 A CA 2.066 54.047 52.037 -0.094 0.000 0.628 659 A CB -0.656 18.341 19.000 -0.004 0.000 0.814 659 A HN 0.468 nan 8.150 nan 0.000 0.444 660 D N -0.502 119.852 120.400 -0.077 0.000 2.149 660 D HA -0.193 4.444 4.640 -0.004 0.000 0.198 660 D C 2.086 178.317 176.300 -0.115 0.000 0.990 660 D CA 1.503 55.456 54.000 -0.079 0.000 0.839 660 D CB 0.006 40.757 40.800 -0.082 0.000 0.948 660 D HN 0.310 nan 8.370 nan 0.000 0.460 661 R N -0.085 120.329 120.500 -0.143 0.000 2.075 661 R HA 0.003 4.340 4.340 -0.004 0.000 0.226 661 R C 2.366 178.528 176.300 -0.231 0.000 1.114 661 R CA 0.389 56.443 56.100 -0.077 0.000 0.972 661 R CB -1.520 28.851 30.300 0.118 0.000 0.869 661 R HN 0.295 nan 8.270 nan 0.000 0.437 662 L N 1.287 122.121 121.223 -0.648 0.000 2.089 662 L HA -0.162 4.175 4.340 -0.004 0.000 0.213 662 L C 2.065 178.695 176.870 -0.399 0.000 1.079 662 L CA 1.543 55.754 54.840 -1.047 0.000 0.758 662 L CB -0.347 41.030 42.059 -1.137 0.000 0.891 662 L HN -0.092 nan 8.230 nan 0.000 0.433 663 V N -0.352 119.431 119.914 -0.218 0.000 2.302 663 V HA -0.184 3.934 4.120 -0.004 0.000 0.243 663 V C 2.954 179.024 176.094 -0.040 0.000 1.036 663 V CA 2.138 64.391 62.300 -0.079 0.000 1.020 663 V CB -1.164 30.641 31.823 -0.030 0.000 0.657 663 V HN 0.556 nan 8.190 nan 0.000 0.453 664 K N 0.483 120.860 120.400 -0.037 0.000 1.978 664 K HA -0.266 4.052 4.320 -0.004 0.000 0.214 664 K C 1.892 178.508 176.600 0.027 0.000 1.049 664 K CA 2.134 58.428 56.287 0.011 0.000 0.939 664 K CB -1.105 31.406 32.500 0.019 0.000 0.721 664 K HN 0.562 nan 8.250 nan 0.000 0.441 665 E N 0.240 120.444 120.200 0.006 0.000 2.401 665 E HA 0.070 4.418 4.350 -0.004 0.000 0.199 665 E C 1.966 178.599 176.600 0.055 0.000 1.023 665 E CA 0.947 57.362 56.400 0.025 0.000 0.859 665 E CB -0.359 29.360 29.700 0.031 0.000 0.780 665 E HN 0.539 nan 8.360 nan 0.000 0.523 666 V N 0.100 120.038 119.914 0.040 0.000 2.331 666 V HA 0.058 4.175 4.120 -0.004 0.000 0.242 666 V C 2.269 178.401 176.094 0.062 0.000 1.034 666 V CA 1.989 64.334 62.300 0.074 0.000 1.027 666 V CB -1.170 30.682 31.823 0.048 0.000 0.667 666 V HN 0.265 nan 8.190 nan 0.000 0.457 667 G N -0.517 108.316 108.800 0.055 0.000 2.479 667 G HA2 -0.197 3.761 3.960 -0.004 0.000 0.220 667 G HA3 -0.197 3.761 3.960 -0.004 0.000 0.220 667 G C 1.795 176.746 174.900 0.085 0.000 1.115 667 G CA 0.828 45.968 45.100 0.067 0.000 0.757 667 G HN 0.568 nan 8.290 nan 0.000 0.560 668 R N -0.508 120.044 120.500 0.086 0.000 2.073 668 R HA 0.045 4.382 4.340 -0.004 0.000 0.229 668 R C 2.889 179.217 176.300 0.047 0.000 1.120 668 R CA 1.362 57.519 56.100 0.096 0.000 0.967 668 R CB -0.806 29.513 30.300 0.031 0.000 0.862 668 R HN 0.410 nan 8.270 nan 0.000 0.436 669 L N -0.003 121.237 121.223 0.029 0.000 2.465 669 L HA 0.178 4.515 4.340 -0.004 0.000 0.224 669 L C 1.893 178.781 176.870 0.029 0.000 1.145 669 L CA 1.835 56.684 54.840 0.015 0.000 0.834 669 L CB -1.527 40.547 42.059 0.024 0.000 0.944 669 L HN 0.527 nan 8.230 nan 0.000 0.451 670 G N -1.343 107.484 108.800 0.046 0.000 2.284 670 G HA2 -0.017 3.940 3.960 -0.004 0.000 0.261 670 G HA3 -0.017 3.940 3.960 -0.004 0.000 0.261 670 G C 0.703 175.626 174.900 0.038 0.000 0.997 670 G CA 0.501 45.628 45.100 0.045 0.000 0.621 670 G HN 2.163 nan 8.290 nan 0.000 0.534 671 I N -0.148 120.440 120.570 0.030 0.000 2.533 671 I HA 0.852 5.019 4.170 -0.004 0.000 0.284 671 I C 1.309 177.451 176.117 0.040 0.000 1.109 671 I CA 1.351 62.664 61.300 0.023 0.000 1.412 671 I CB -0.108 37.890 38.000 -0.004 0.000 1.396 671 I HN 1.404 nan 8.210 nan 0.000 0.543 672 R N 2.152 122.679 120.500 0.044 0.000 2.561 672 R HA 0.350 4.687 4.340 -0.004 0.000 0.213 672 R C 1.752 178.092 176.300 0.066 0.000 0.885 672 R CA 1.546 57.683 56.100 0.061 0.000 1.002 672 R CB -0.926 29.410 30.300 0.061 0.000 1.432 672 R HN 1.951 nan 8.270 nan 0.000 0.651 673 H N -0.392 118.708 119.070 0.051 0.000 2.549 673 H HA 0.781 5.335 4.556 -0.004 0.000 0.279 673 H C 0.699 176.054 175.328 0.046 0.000 1.018 673 H CA 0.622 56.700 56.048 0.051 0.000 1.175 673 H CB -0.357 29.429 29.762 0.040 0.000 1.485 673 H HN 0.823 nan 8.280 nan 0.000 0.543 674 L N 1.271 122.517 121.223 0.038 0.000 2.295 674 L HA 0.807 5.145 4.340 -0.004 0.000 0.285 674 L C 0.637 177.534 176.870 0.046 0.000 1.035 674 L CA -0.734 54.120 54.840 0.025 0.000 0.806 674 L CB 0.553 42.608 42.059 -0.006 0.000 1.214 674 L HN 0.695 nan 8.230 nan 0.000 0.426 675 K N 1.514 121.951 120.400 0.063 0.000 3.461 675 K HA 0.204 4.522 4.320 -0.004 0.000 0.173 675 K C -0.095 176.556 176.600 0.085 0.000 1.017 675 K CA 0.094 56.458 56.287 0.127 0.000 0.848 675 K CB 0.393 33.012 32.500 0.199 0.000 0.733 675 K HN 0.695 nan 8.250 nan 0.000 0.475 676 E N 0.470 120.697 120.200 0.044 0.000 2.502 676 E HA 0.008 4.356 4.350 -0.004 0.000 0.194 676 E C 0.350 176.977 176.600 0.045 0.000 1.062 676 E CA -0.023 56.395 56.400 0.029 0.000 0.867 676 E CB -0.220 29.486 29.700 0.011 0.000 0.888 676 E HN 0.196 nan 8.360 nan 0.000 0.510 677 V N 2.366 122.330 119.914 0.084 0.000 2.649 677 V HA 0.059 4.177 4.120 -0.004 0.000 0.292 677 V C 0.311 176.529 176.094 0.205 0.000 1.055 677 V CA -0.804 61.575 62.300 0.133 0.000 1.023 677 V CB 1.020 32.908 31.823 0.108 0.000 0.992 677 V HN 0.044 nan 8.190 nan 0.000 0.480 678 D N 2.905 123.411 120.400 0.176 0.000 2.472 678 D HA 0.035 4.672 4.640 -0.004 0.000 0.237 678 D C 1.220 177.642 176.300 0.203 0.000 1.141 678 D CA 0.210 54.288 54.000 0.130 0.000 0.875 678 D CB 0.690 41.555 40.800 0.108 0.000 1.192 678 D HN 0.455 nan 8.370 nan 0.000 0.450 679 R N 2.083 122.540 120.500 -0.072 0.000 2.276 679 R HA 0.012 4.349 4.340 -0.004 0.000 0.203 679 R C 1.452 177.736 176.300 -0.026 0.000 1.017 679 R CA 1.056 56.912 56.100 -0.406 0.000 1.010 679 R CB -0.078 29.851 30.300 -0.620 0.000 0.900 679 R HN 0.636 nan 8.270 nan 0.000 0.469 680 E N 1.890 122.166 120.200 0.128 0.000 2.474 680 E HA 0.027 4.375 4.350 -0.004 0.000 0.194 680 E C 0.180 176.917 176.600 0.229 0.000 1.041 680 E CA 0.239 56.733 56.400 0.157 0.000 0.874 680 E CB 0.034 29.784 29.700 0.083 0.000 0.914 680 E HN 0.302 nan 8.360 nan 0.000 0.498 681 K N 0.698 121.311 120.400 0.355 0.000 2.267 681 K HA 0.458 4.775 4.320 -0.004 0.000 0.282 681 K C -0.402 176.415 176.600 0.362 0.000 1.078 681 K CA -0.329 56.141 56.287 0.304 0.000 0.903 681 K CB 1.190 33.871 32.500 0.303 0.000 1.111 681 K HN 0.206 nan 8.250 nan 0.000 0.475 682 L N 5.852 127.074 121.223 -0.002 0.000 2.466 682 L HA 0.125 4.463 4.340 -0.004 0.000 0.248 682 L C 1.051 177.513 176.870 -0.681 0.000 1.240 682 L CA -0.509 53.997 54.840 -0.557 0.000 1.180 682 L CB -0.781 40.886 42.059 -0.653 0.000 1.413 682 L HN 0.688 nan 8.230 nan 0.000 0.406 683 F N 0.452 120.175 119.950 -0.379 0.000 2.161 683 F HA -0.249 4.276 4.527 -0.004 0.000 0.300 683 F C 1.902 177.551 175.800 -0.251 0.000 1.089 683 F CA 0.856 58.717 58.000 -0.231 0.000 1.282 683 F CB -1.200 37.730 39.000 -0.117 0.000 1.010 683 F HN 0.295 nan 8.300 nan 0.000 0.485 684 F N 1.698 120.914 119.950 -1.225 0.000 2.641 684 F HA 0.236 4.761 4.527 -0.004 0.000 0.298 684 F C 0.930 176.514 175.800 -0.360 0.000 1.146 684 F CA -0.763 56.768 58.000 -0.780 0.000 1.464 684 F CB -1.813 36.557 39.000 -1.049 0.000 1.101 684 F HN 0.025 nan 8.300 nan 0.000 0.585 685 V N 0.000 119.554 119.914 -0.600 0.000 2.409 685 V HA 0.000 4.118 4.120 -0.004 0.000 0.244 685 V CA 0.000 62.129 62.300 -0.285 0.000 1.235 685 V CB 0.000 31.593 31.823 -0.384 0.000 1.184 685 V HN 0.000 nan 8.190 nan 0.000 0.556