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 3kt1_1_A DATA FIRST_RESID 24 DATA SEQUENCE DKIKGMFNPK IWDKTFQDGL KKEIEDSQPY NWGTIHELVN DDLLRAVRKE DATA SEQUENCE IETEIHFTKK ETDIYRVNQS GDLANLSGLD WDDLSRLPNL FKLRQILYSK DATA SEQUENCE QYRDFFGYVT KAGKLSGSKT DMSINTYTKG CHLLTHDDVI GSRRISFILY DATA SEQUENCE LPDPDRKWKS HYGGGLRLFP SILPNVPHSD PSAKLVPQFN QIAFFKVLPG DATA SEQUENCE FSFHDVEEVK VDKHRLSIQG WYHIPQVGEE GYIPGEEEAW VRNNTXXXXX DATA SEQUENCE XXXNVLEDFE FPKDERNILS FHEVKHFEKM LKXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXVKLSEA EFTYLSQYIS PEHLSSKGIE KLQKQFVENS SLQIESFLND DATA SEQUENCE DKSELLKKVI KQKELEQECP YHSKDVKAPW KTAIPPHKAR YLYIDGKEYR DATA SEQUENCE NFQTEADILE ALNNNDLPNF QFTKDAIKII SDASGNSREN NFDAELALID DATA SEQUENCE LAVFHKSTIF KKYLALLTSL cPVSEQILIR RFRPGMDFTL ATKCRFNELL DATA SEQUENCE KSNPDIIDAV LEGTLCLTPS AGWESGELGG YELYMMDXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXDSVLINDP PAWNTFNLVL RDESVLEFVK YVSWSAKSSR DATA SEQUENCE WDVKMKWDVK Sc 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 24 D HA 0.000 nan 4.640 nan 0.000 0.175 24 D C 0.000 176.274 176.300 -0.043 0.000 2.045 24 D CA 0.000 53.959 54.000 -0.069 0.000 0.868 24 D CB 0.000 40.720 40.800 -0.134 0.000 0.688 25 K N 2.099 122.487 120.400 -0.021 0.000 2.525 25 K HA 0.288 4.608 4.320 -0.000 0.000 0.192 25 K C 1.523 178.132 176.600 0.014 0.000 1.029 25 K CA 0.536 56.822 56.287 -0.001 0.000 1.029 25 K CB 0.250 32.754 32.500 0.006 0.000 0.814 25 K HN 0.494 nan 8.250 nan 0.000 0.503 26 I N -0.796 119.784 120.570 0.018 0.000 3.136 26 I HA -0.082 4.087 4.170 -0.000 0.000 0.262 26 I C 1.591 177.817 176.117 0.181 0.000 1.132 26 I CA 0.101 61.449 61.300 0.080 0.000 1.450 26 I CB 0.084 38.138 38.000 0.090 0.000 1.315 26 I HN -0.071 nan 8.210 nan 0.000 0.460 27 K N 1.212 121.629 120.400 0.028 0.000 2.152 27 K HA -0.119 4.201 4.320 -0.000 0.000 0.206 27 K C 1.931 178.731 176.600 0.334 0.000 1.048 27 K CA 1.639 57.928 56.287 0.003 0.000 0.933 27 K CB -0.448 31.622 32.500 -0.717 0.000 0.721 27 K HN 0.429 nan 8.250 nan 0.000 0.447 28 G N 0.383 109.264 108.800 0.135 0.000 2.679 28 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.212 28 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.212 28 G C 1.270 176.224 174.900 0.090 0.000 1.137 28 G CA 0.079 45.248 45.100 0.116 0.000 0.787 28 G HN 0.088 nan 8.290 nan 0.000 0.534 29 M N -0.132 119.502 119.600 0.057 0.000 2.561 29 M HA 0.389 4.869 4.480 -0.000 0.000 0.238 29 M C -0.254 175.884 176.300 -0.270 0.000 1.131 29 M CA -0.160 55.065 55.300 -0.124 0.000 1.046 29 M CB -0.409 32.056 32.600 -0.224 0.000 1.532 29 M HN 0.056 nan 8.290 nan 0.000 0.497 30 F N 0.141 120.147 119.950 0.093 0.000 2.523 30 F HA 0.304 4.831 4.527 -0.000 0.000 0.329 30 F C 0.987 176.765 175.800 -0.037 0.000 1.061 30 F CA -1.124 56.872 58.000 -0.007 0.000 0.967 30 F CB 0.694 39.672 39.000 -0.037 0.000 1.218 30 F HN -0.020 nan 8.300 nan 0.000 0.480 31 N N 3.583 122.331 118.700 0.079 0.000 2.301 31 N HA -0.038 4.701 4.740 -0.000 0.000 0.267 31 N C -1.596 173.828 175.510 -0.143 0.000 1.304 31 N CA -0.787 52.228 53.050 -0.057 0.000 0.851 31 N CB 0.735 39.140 38.487 -0.137 0.000 1.070 31 N HN 0.216 nan 8.380 nan 0.000 0.483 32 P HA -0.254 nan 4.420 nan 0.000 0.219 32 P C 0.729 177.930 177.300 -0.165 0.000 1.146 32 P CA 1.365 64.480 63.100 0.026 0.000 0.808 32 P CB 0.023 31.756 31.700 0.054 0.000 0.779 33 K N 1.377 121.574 120.400 -0.338 0.000 2.103 33 K HA -0.151 4.169 4.320 -0.000 0.000 0.207 33 K C 2.259 178.381 176.600 -0.795 0.000 1.048 33 K CA 1.811 57.772 56.287 -0.544 0.000 0.930 33 K CB -1.337 30.721 32.500 -0.738 0.000 0.716 33 K HN 0.252 nan 8.250 nan 0.000 0.444 34 I N -2.284 117.687 120.570 -0.997 0.000 2.567 34 I HA -0.092 4.078 4.170 -0.000 0.000 0.257 34 I C 1.208 176.783 176.117 -0.903 0.000 1.184 34 I CA 0.856 61.494 61.300 -1.103 0.000 1.451 34 I CB -0.501 36.528 38.000 -1.618 0.000 1.089 34 I HN 0.165 nan 8.210 nan 0.000 0.441 35 W N 1.636 122.773 121.300 -0.272 0.000 3.047 35 W HA 0.155 4.815 4.660 -0.000 0.000 0.250 35 W C 0.656 177.152 176.519 -0.038 0.000 1.314 35 W CA -0.678 56.581 57.345 -0.144 0.000 1.540 35 W CB -0.299 29.091 29.460 -0.116 0.000 1.127 35 W HN 0.114 nan 8.180 nan 0.000 0.679 36 D N 0.925 121.396 120.400 0.117 0.000 2.348 36 D HA 0.009 4.649 4.640 -0.000 0.000 0.253 36 D C 1.522 177.942 176.300 0.200 0.000 1.161 36 D CA 0.216 54.302 54.000 0.144 0.000 0.876 36 D CB 1.158 42.023 40.800 0.109 0.000 1.160 36 D HN -0.260 nan 8.370 nan 0.000 0.459 37 K N 1.833 122.320 120.400 0.145 0.000 2.057 37 K HA -0.141 4.179 4.320 -0.000 0.000 0.207 37 K C 1.526 178.209 176.600 0.137 0.000 1.049 37 K CA 1.888 58.249 56.287 0.122 0.000 0.931 37 K CB -0.405 32.131 32.500 0.061 0.000 0.714 37 K HN 0.496 nan 8.250 nan 0.000 0.440 38 T N 0.478 115.109 114.554 0.128 0.000 2.746 38 T HA -0.122 4.227 4.350 -0.000 0.000 0.267 38 T C 1.464 176.246 174.700 0.137 0.000 1.039 38 T CA 1.452 63.619 62.100 0.111 0.000 1.142 38 T CB -0.510 68.414 68.868 0.094 0.000 0.866 38 T HN 0.343 nan 8.240 nan 0.000 0.444 39 F N 1.929 121.910 119.950 0.051 0.000 2.134 39 F HA -0.149 4.378 4.527 -0.000 0.000 0.299 39 F C 2.499 178.359 175.800 0.099 0.000 1.097 39 F CA 1.380 59.413 58.000 0.055 0.000 1.264 39 F CB -0.428 38.590 39.000 0.029 0.000 1.001 39 F HN 0.124 nan 8.300 nan 0.000 0.479 40 Q N 0.069 119.984 119.800 0.191 0.000 2.061 40 Q HA -0.231 4.109 4.340 -0.000 0.000 0.204 40 Q C 1.864 177.896 176.000 0.053 0.000 0.984 40 Q CA 1.887 57.804 55.803 0.189 0.000 0.846 40 Q CB -0.384 28.592 28.738 0.396 0.000 0.902 40 Q HN 0.429 nan 8.270 nan 0.000 0.421 41 D N -0.269 120.189 120.400 0.096 0.000 2.144 41 D HA -0.105 4.535 4.640 -0.000 0.000 0.199 41 D C 1.848 178.092 176.300 -0.092 0.000 0.984 41 D CA 1.321 55.344 54.000 0.038 0.000 0.834 41 D CB -0.546 40.295 40.800 0.067 0.000 0.955 41 D HN 0.386 nan 8.370 nan 0.000 0.465 42 G N 0.878 109.599 108.800 -0.131 0.000 2.418 42 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.217 42 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.217 42 G C 1.569 176.303 174.900 -0.276 0.000 1.158 42 G CA 0.527 45.517 45.100 -0.183 0.000 0.771 42 G HN 0.241 nan 8.290 nan 0.000 0.545 43 L N 0.770 121.744 121.223 -0.416 0.000 2.056 43 L HA 0.132 4.472 4.340 -0.000 0.000 0.207 43 L C 2.627 179.308 176.870 -0.314 0.000 1.078 43 L CA 2.305 56.902 54.840 -0.405 0.000 0.749 43 L CB -0.586 41.175 42.059 -0.498 0.000 0.901 43 L HN 0.258 nan 8.230 nan 0.000 0.433 44 K N -0.401 119.811 120.400 -0.313 0.000 2.063 44 K HA -0.267 4.053 4.320 -0.000 0.000 0.208 44 K C 2.316 178.749 176.600 -0.278 0.000 1.048 44 K CA 1.817 57.894 56.287 -0.351 0.000 0.928 44 K CB -0.129 32.094 32.500 -0.462 0.000 0.713 44 K HN 0.325 nan 8.250 nan 0.000 0.442 45 K N 0.835 121.100 120.400 -0.225 0.000 2.025 45 K HA -0.169 4.151 4.320 -0.000 0.000 0.207 45 K C 1.810 178.289 176.600 -0.203 0.000 1.049 45 K CA 1.667 57.844 56.287 -0.184 0.000 0.933 45 K CB 0.014 32.431 32.500 -0.140 0.000 0.714 45 K HN 0.194 nan 8.250 nan 0.000 0.438 46 E N 0.498 120.560 120.200 -0.230 0.000 2.086 46 E HA -0.236 4.114 4.350 -0.000 0.000 0.200 46 E C 2.018 178.415 176.600 -0.338 0.000 1.012 46 E CA 1.877 58.115 56.400 -0.270 0.000 0.812 46 E CB -0.164 29.360 29.700 -0.293 0.000 0.743 46 E HN 0.366 nan 8.360 nan 0.000 0.453 47 I N 0.815 121.178 120.570 -0.345 0.000 2.226 47 I HA -0.252 3.918 4.170 -0.000 0.000 0.245 47 I C 2.291 178.247 176.117 -0.268 0.000 1.100 47 I CA 1.124 62.206 61.300 -0.363 0.000 1.374 47 I CB -0.243 37.573 38.000 -0.306 0.000 1.057 47 I HN 0.105 nan 8.210 nan 0.000 0.413 48 E N 0.705 120.772 120.200 -0.222 0.000 2.085 48 E HA -0.248 4.102 4.350 -0.000 0.000 0.194 48 E C 1.120 177.631 176.600 -0.149 0.000 0.994 48 E CA 1.441 57.740 56.400 -0.167 0.000 0.801 48 E CB -0.018 29.589 29.700 -0.154 0.000 0.743 48 E HN 0.453 nan 8.360 nan 0.000 0.453 49 D N 0.080 120.379 120.400 -0.169 0.000 2.339 49 D HA -0.006 4.634 4.640 -0.000 0.000 0.217 49 D C 0.423 176.632 176.300 -0.153 0.000 1.050 49 D CA 0.178 54.094 54.000 -0.140 0.000 0.856 49 D CB 0.100 40.821 40.800 -0.132 0.000 0.922 49 D HN 0.050 nan 8.370 nan 0.000 0.518 50 S N 0.520 116.088 115.700 -0.219 0.000 2.624 50 S HA 0.395 4.865 4.470 -0.000 0.000 0.263 50 S C 0.089 174.665 174.600 -0.041 0.000 1.287 50 S CA -0.644 57.412 58.200 -0.241 0.000 0.990 50 S CB 1.450 64.252 63.200 -0.664 0.000 0.950 50 S HN 0.085 nan 8.310 nan 0.000 0.561 51 Q N -1.088 118.781 119.800 0.115 0.000 2.456 51 Q HA 0.625 4.965 4.340 -0.000 0.000 0.284 51 Q C -2.922 173.135 176.000 0.096 0.000 1.061 51 Q CA -1.746 54.115 55.803 0.096 0.000 0.799 51 Q CB 1.279 30.043 28.738 0.044 0.000 1.445 51 Q HN 0.344 nan 8.270 nan 0.000 0.411 52 P HA 0.111 nan 4.420 nan 0.000 0.245 52 P C -1.000 176.378 177.300 0.131 0.000 1.203 52 P CA 0.733 63.849 63.100 0.027 0.000 0.792 52 P CB -0.026 31.720 31.700 0.077 0.000 0.997 53 Y N -2.993 117.357 120.300 0.083 0.000 2.644 53 Y HA 0.568 5.118 4.550 0.000 0.000 0.338 53 Y C -0.382 175.607 175.900 0.149 0.000 1.119 53 Y CA -1.932 56.199 58.100 0.052 0.000 1.060 53 Y CB -0.170 38.302 38.460 0.020 0.000 1.294 53 Y HN -0.382 nan 8.280 nan 0.000 0.472 54 N N 3.093 121.931 118.700 0.230 0.000 2.452 54 N HA 0.091 4.830 4.740 -0.000 0.000 0.266 54 N C -0.967 174.669 175.510 0.211 0.000 1.209 54 N CA 0.249 53.363 53.050 0.107 0.000 0.929 54 N CB 0.227 38.734 38.487 0.033 0.000 1.063 54 N HN 0.837 nan 8.380 nan 0.000 0.472 55 W N 0.071 121.263 121.300 -0.180 0.000 3.074 55 W HA 0.710 5.370 4.660 0.000 0.000 0.332 55 W C -0.900 175.389 176.519 -0.382 0.000 1.253 55 W CA -1.167 56.053 57.345 -0.209 0.000 1.180 55 W CB 0.729 30.026 29.460 -0.273 0.000 1.445 55 W HN 0.430 nan 8.180 nan 0.000 0.573 56 G N 0.120 108.480 108.800 -0.733 0.000 2.672 56 G HA2 0.580 4.540 3.960 -0.000 0.000 0.292 56 G HA3 0.580 4.540 3.960 -0.000 0.000 0.292 56 G C -1.894 172.346 174.900 -1.100 0.000 1.375 56 G CA -0.735 43.675 45.100 -1.150 0.000 0.890 56 G HN 0.595 nan 8.290 nan 0.000 0.476 57 T N -0.522 113.700 114.554 -0.553 0.000 2.916 57 T HA 0.653 5.003 4.350 -0.000 0.000 0.305 57 T C -1.358 173.387 174.700 0.074 0.000 1.119 57 T CA -0.414 61.609 62.100 -0.128 0.000 1.008 57 T CB 1.113 69.941 68.868 -0.068 0.000 1.129 57 T HN 0.444 nan 8.240 nan 0.000 0.480 58 I N 4.469 125.170 120.570 0.219 0.000 2.498 58 I HA 0.437 4.607 4.170 -0.000 0.000 0.290 58 I C -0.024 176.115 176.117 0.037 0.000 1.032 58 I CA -1.020 60.417 61.300 0.228 0.000 1.073 58 I CB 1.849 40.099 38.000 0.416 0.000 1.251 58 I HN 0.586 nan 8.210 nan 0.000 0.426 59 H N 5.137 124.321 119.070 0.189 0.000 2.487 59 H HA 0.268 4.824 4.556 0.000 0.000 0.333 59 H C -0.239 175.141 175.328 0.087 0.000 1.114 59 H CA -0.396 55.729 56.048 0.128 0.000 1.310 59 H CB 1.181 31.009 29.762 0.109 0.000 1.462 59 H HN 0.611 nan 8.280 nan 0.000 0.516 60 E N 1.442 121.744 120.200 0.170 0.000 2.252 60 E HA -0.223 4.127 4.350 -0.000 0.000 0.218 60 E C 0.897 177.523 176.600 0.044 0.000 1.253 60 E CA -0.007 56.447 56.400 0.090 0.000 0.705 60 E CB -0.776 28.981 29.700 0.096 0.000 1.172 60 E HN 0.539 nan 8.360 nan 0.000 0.369 61 L N -0.371 120.874 121.223 0.035 0.000 2.005 61 L HA -0.042 4.298 4.340 -0.000 0.000 0.207 61 L C 0.950 177.866 176.870 0.077 0.000 1.072 61 L CA 1.529 56.404 54.840 0.059 0.000 0.744 61 L CB 0.261 42.356 42.059 0.060 0.000 0.895 61 L HN 0.132 nan 8.230 nan 0.000 0.433 62 V N -0.099 119.792 119.914 -0.038 0.000 2.732 62 V HA 0.141 4.261 4.120 -0.000 0.000 0.310 62 V C 0.052 176.087 176.094 -0.099 0.000 1.053 62 V CA -0.864 61.340 62.300 -0.160 0.000 0.957 62 V CB 1.475 33.144 31.823 -0.256 0.000 1.018 62 V HN 0.361 nan 8.190 nan 0.000 0.452 63 N N 1.720 120.347 118.700 -0.122 0.000 2.223 63 N HA -0.137 4.603 4.740 -0.000 0.000 0.271 63 N C 0.881 176.389 175.510 -0.004 0.000 1.315 63 N CA 0.598 53.619 53.050 -0.049 0.000 0.835 63 N CB 0.333 38.781 38.487 -0.065 0.000 1.066 63 N HN 0.809 nan 8.380 nan 0.000 0.486 64 D N 2.632 123.063 120.400 0.051 0.000 2.123 64 D HA -0.191 4.449 4.640 -0.000 0.000 0.196 64 D C 0.731 177.115 176.300 0.139 0.000 0.992 64 D CA 1.450 55.532 54.000 0.137 0.000 0.833 64 D CB 0.132 41.017 40.800 0.142 0.000 0.954 64 D HN 0.604 nan 8.370 nan 0.000 0.455 65 D N 0.061 120.507 120.400 0.076 0.000 2.117 65 D HA -0.145 4.495 4.640 -0.000 0.000 0.197 65 D C 2.193 178.529 176.300 0.059 0.000 0.987 65 D CA 0.317 54.353 54.000 0.060 0.000 0.829 65 D CB -0.376 40.444 40.800 0.033 0.000 0.961 65 D HN 0.288 nan 8.370 nan 0.000 0.460 66 L N 0.224 121.465 121.223 0.030 0.000 1.989 66 L HA -0.198 4.142 4.340 -0.000 0.000 0.211 66 L C 2.359 179.254 176.870 0.041 0.000 1.071 66 L CA 1.101 55.946 54.840 0.008 0.000 0.749 66 L CB -0.222 41.803 42.059 -0.056 0.000 0.890 66 L HN 0.073 nan 8.230 nan 0.000 0.431 67 L N 0.013 121.272 121.223 0.060 0.000 2.093 67 L HA -0.185 4.155 4.340 -0.000 0.000 0.208 67 L C 2.714 179.759 176.870 0.291 0.000 1.085 67 L CA 1.570 56.471 54.840 0.101 0.000 0.755 67 L CB -0.533 41.487 42.059 -0.063 0.000 0.904 67 L HN 0.135 nan 8.230 nan 0.000 0.435 68 R N -1.038 119.667 120.500 0.343 0.000 2.091 68 R HA -0.155 4.185 4.340 -0.000 0.000 0.238 68 R C 2.189 178.567 176.300 0.130 0.000 1.136 68 R CA 1.379 57.613 56.100 0.224 0.000 0.959 68 R CB -0.540 29.819 30.300 0.099 0.000 0.856 68 R HN 0.481 nan 8.270 nan 0.000 0.437 69 A N 0.277 123.157 122.820 0.100 0.000 1.968 69 A HA -0.057 4.263 4.320 -0.000 0.000 0.217 69 A C 2.283 179.912 177.584 0.076 0.000 1.169 69 A CA 0.932 53.010 52.037 0.069 0.000 0.638 69 A CB -0.254 18.776 19.000 0.049 0.000 0.812 69 A HN 0.111 nan 8.150 nan 0.000 0.446 70 V N 0.062 120.029 119.914 0.089 0.000 2.295 70 V HA -0.251 3.869 4.120 -0.000 0.000 0.246 70 V C 2.647 178.808 176.094 0.111 0.000 1.049 70 V CA 2.315 64.669 62.300 0.090 0.000 1.024 70 V CB -0.739 31.131 31.823 0.078 0.000 0.648 70 V HN 0.689 nan 8.190 nan 0.000 0.447 71 R N -0.012 120.578 120.500 0.149 0.000 2.081 71 R HA -0.158 4.182 4.340 -0.000 0.000 0.235 71 R C 2.423 178.792 176.300 0.115 0.000 1.131 71 R CA 1.383 57.579 56.100 0.160 0.000 0.960 71 R CB -0.139 30.298 30.300 0.228 0.000 0.856 71 R HN 0.334 nan 8.270 nan 0.000 0.436 72 K N 0.710 121.163 120.400 0.088 0.000 2.057 72 K HA -0.170 4.150 4.320 -0.000 0.000 0.207 72 K C 1.964 178.600 176.600 0.060 0.000 1.049 72 K CA 1.631 57.956 56.287 0.062 0.000 0.931 72 K CB -0.175 32.352 32.500 0.044 0.000 0.714 72 K HN 0.416 nan 8.250 nan 0.000 0.440 73 E N 0.560 120.795 120.200 0.059 0.000 2.058 73 E HA -0.159 4.191 4.350 -0.000 0.000 0.194 73 E C 2.158 178.788 176.600 0.050 0.000 0.997 73 E CA 1.019 57.446 56.400 0.045 0.000 0.801 73 E CB -0.151 29.574 29.700 0.042 0.000 0.746 73 E HN 0.250 nan 8.360 nan 0.000 0.450 74 I N 0.878 121.498 120.570 0.083 0.000 2.179 74 I HA -0.261 3.909 4.170 -0.000 0.000 0.242 74 I C 2.278 178.485 176.117 0.150 0.000 1.088 74 I CA 1.214 62.585 61.300 0.117 0.000 1.357 74 I CB -0.175 37.939 38.000 0.191 0.000 1.051 74 I HN 0.088 nan 8.210 nan 0.000 0.409 75 E N 0.017 120.303 120.200 0.144 0.000 2.153 75 E HA -0.180 4.170 4.350 -0.000 0.000 0.194 75 E C 2.045 178.704 176.600 0.098 0.000 0.988 75 E CA 1.688 58.171 56.400 0.139 0.000 0.811 75 E CB 0.061 29.817 29.700 0.094 0.000 0.746 75 E HN 0.429 nan 8.360 nan 0.000 0.466 76 T N 0.258 114.850 114.554 0.063 0.000 2.937 76 T HA -0.014 4.336 4.350 -0.000 0.000 0.260 76 T C 1.282 175.995 174.700 0.021 0.000 1.051 76 T CA 0.701 62.824 62.100 0.039 0.000 1.141 76 T CB 0.137 69.020 68.868 0.026 0.000 0.879 76 T HN 0.045 nan 8.240 nan 0.000 0.459 77 E N 0.112 120.315 120.200 0.006 0.000 2.413 77 E HA 0.290 4.640 4.350 -0.000 0.000 0.203 77 E C 0.393 176.950 176.600 -0.072 0.000 0.957 77 E CA 0.141 56.523 56.400 -0.031 0.000 0.950 77 E CB 0.803 30.477 29.700 -0.042 0.000 0.957 77 E HN 0.454 nan 8.360 nan 0.000 0.497 78 I N 1.423 121.934 120.570 -0.097 0.000 2.404 78 I HA 0.180 4.350 4.170 -0.000 0.000 0.293 78 I C -0.375 175.575 176.117 -0.279 0.000 0.992 78 I CA -0.845 60.294 61.300 -0.269 0.000 1.149 78 I CB 1.261 38.990 38.000 -0.452 0.000 1.315 78 I HN -0.094 nan 8.210 nan 0.000 0.446 79 H N 6.266 125.117 119.070 -0.365 0.000 2.476 79 H HA 0.491 5.047 4.556 -0.000 0.000 0.328 79 H C -1.474 173.659 175.328 -0.325 0.000 1.073 79 H CA -0.372 55.544 56.048 -0.220 0.000 1.229 79 H CB 0.779 30.485 29.762 -0.092 0.000 1.432 79 H HN 0.261 nan 8.280 nan 0.000 0.477 80 F N 3.039 122.689 119.950 -0.501 0.000 2.404 80 F HA 0.347 4.874 4.527 -0.000 0.000 0.339 80 F C 0.486 176.049 175.800 -0.395 0.000 1.105 80 F CA -0.515 57.293 58.000 -0.320 0.000 1.087 80 F CB 1.824 40.730 39.000 -0.158 0.000 1.143 80 F HN 0.423 nan 8.300 nan 0.000 0.491 81 T N 2.515 117.061 114.554 -0.014 0.000 2.779 81 T HA 0.320 4.670 4.350 -0.000 0.000 0.280 81 T C -0.442 174.287 174.700 0.049 0.000 0.987 81 T CA -1.096 61.011 62.100 0.012 0.000 0.966 81 T CB 1.172 70.068 68.868 0.048 0.000 0.933 81 T HN 0.511 nan 8.240 nan 0.000 0.442 82 K N 2.786 123.212 120.400 0.043 0.000 2.401 82 K HA 0.365 4.685 4.320 -0.000 0.000 0.278 82 K C -0.328 176.309 176.600 0.061 0.000 1.018 82 K CA -0.203 56.106 56.287 0.037 0.000 0.981 82 K CB 0.733 33.253 32.500 0.034 0.000 0.933 82 K HN 0.237 nan 8.250 nan 0.000 0.477 83 K N 2.795 123.243 120.400 0.080 0.000 2.507 83 K HA 0.185 4.505 4.320 -0.000 0.000 0.251 83 K C -1.626 175.059 176.600 0.142 0.000 0.943 83 K CA -0.515 55.848 56.287 0.127 0.000 0.794 83 K CB 1.900 34.512 32.500 0.187 0.000 1.188 83 K HN 0.950 nan 8.250 nan 0.000 0.428 84 E N 2.172 122.402 120.200 0.049 0.000 2.210 84 E HA 0.393 4.743 4.350 -0.000 0.000 0.266 84 E C -0.889 175.612 176.600 -0.166 0.000 0.883 84 E CA -0.469 55.911 56.400 -0.032 0.000 0.761 84 E CB 1.454 31.211 29.700 0.095 0.000 1.156 84 E HN 0.702 nan 8.360 nan 0.000 0.412 85 T N 0.196 114.491 114.554 -0.432 0.000 2.724 85 T HA 0.220 4.570 4.350 -0.000 0.000 0.274 85 T C 0.805 175.305 174.700 -0.333 0.000 0.984 85 T CA -0.119 61.733 62.100 -0.413 0.000 1.024 85 T CB 0.728 69.177 68.868 -0.698 0.000 1.320 85 T HN 0.480 nan 8.240 nan 0.000 0.555 86 D N 0.253 120.330 120.400 -0.538 0.000 2.144 86 D HA -0.086 4.554 4.640 -0.000 0.000 0.199 86 D C 1.732 177.802 176.300 -0.382 0.000 0.984 86 D CA 1.101 54.615 54.000 -0.810 0.000 0.834 86 D CB -0.421 39.499 40.800 -1.467 0.000 0.955 86 D HN 0.541 nan 8.370 nan 0.000 0.465 87 I N -1.180 119.172 120.570 -0.365 0.000 2.584 87 I HA 0.006 4.176 4.170 -0.000 0.000 0.255 87 I C 0.391 176.446 176.117 -0.104 0.000 1.145 87 I CA 0.418 61.587 61.300 -0.218 0.000 1.462 87 I CB 0.158 38.076 38.000 -0.137 0.000 1.102 87 I HN 0.058 nan 8.210 nan 0.000 0.433 88 Y N -1.544 118.662 120.300 -0.156 0.000 2.655 88 Y HA 0.648 5.198 4.550 -0.000 0.000 0.336 88 Y C -0.587 175.058 175.900 -0.426 0.000 1.154 88 Y CA -1.556 56.341 58.100 -0.338 0.000 1.055 88 Y CB 0.878 39.181 38.460 -0.261 0.000 1.295 88 Y HN -0.302 nan 8.280 nan 0.000 0.465 89 R N 2.253 122.489 120.500 -0.440 0.000 2.502 89 R HA 0.736 5.076 4.340 -0.000 0.000 0.298 89 R C -2.553 173.604 176.300 -0.238 0.000 1.018 89 R CA -0.615 55.388 56.100 -0.162 0.000 0.899 89 R CB 2.024 32.261 30.300 -0.106 0.000 1.181 89 R HN 0.758 nan 8.270 nan 0.000 0.444 90 V N 3.727 123.549 119.914 -0.154 0.000 2.888 90 V HA 0.313 4.432 4.120 -0.000 0.000 0.309 90 V C -0.740 175.221 176.094 -0.221 0.000 1.114 90 V CA -1.203 60.833 62.300 -0.439 0.000 0.940 90 V CB 2.427 33.893 31.823 -0.595 0.000 1.021 90 V HN 0.713 nan 8.190 nan 0.000 0.426 91 N N 3.836 122.393 118.700 -0.239 0.000 2.402 91 N HA 0.283 5.023 4.740 -0.000 0.000 0.252 91 N C -0.338 175.211 175.510 0.063 0.000 1.118 91 N CA 0.012 53.020 53.050 -0.070 0.000 0.945 91 N CB 1.102 39.526 38.487 -0.105 0.000 1.147 91 N HN 0.690 nan 8.380 nan 0.000 0.495 92 Q N 0.052 119.922 119.800 0.117 0.000 2.204 92 Q HA 0.417 4.757 4.340 -0.000 0.000 0.254 92 Q C 0.389 176.488 176.000 0.164 0.000 0.981 92 Q CA -0.555 55.333 55.803 0.142 0.000 0.897 92 Q CB 1.329 30.099 28.738 0.052 0.000 1.273 92 Q HN 0.665 nan 8.270 nan 0.000 0.464 93 S N -1.809 113.949 115.700 0.096 0.000 2.787 93 S HA 0.194 4.663 4.470 -0.000 0.000 0.255 93 S C 0.782 175.359 174.600 -0.040 0.000 1.051 93 S CA -0.084 58.066 58.200 -0.083 0.000 1.124 93 S CB 0.580 63.623 63.200 -0.262 0.000 1.104 93 S HN 0.681 nan 8.310 nan 0.000 0.623 94 G N 3.135 111.960 108.800 0.041 0.000 3.591 94 G HA2 0.205 4.165 3.960 -0.000 0.000 0.282 94 G HA3 0.205 4.165 3.960 -0.000 0.000 0.282 94 G C 0.024 174.956 174.900 0.053 0.000 1.238 94 G CA -0.396 44.747 45.100 0.072 0.000 0.993 94 G HN 0.690 nan 8.290 nan 0.000 0.542 95 D N 0.097 120.511 120.400 0.024 0.000 2.455 95 D HA -0.055 4.585 4.640 -0.000 0.000 0.241 95 D C 1.437 177.752 176.300 0.025 0.000 1.138 95 D CA -0.570 53.446 54.000 0.027 0.000 0.877 95 D CB 1.703 42.515 40.800 0.019 0.000 1.187 95 D HN 0.055 nan 8.370 nan 0.000 0.451 96 L N 3.388 124.630 121.223 0.032 0.000 1.997 96 L HA -0.270 4.070 4.340 -0.000 0.000 0.216 96 L C 2.433 179.315 176.870 0.020 0.000 1.074 96 L CA 2.462 57.321 54.840 0.031 0.000 0.763 96 L CB -0.384 41.692 42.059 0.029 0.000 0.890 96 L HN 0.687 nan 8.230 nan 0.000 0.434 97 A N -1.012 121.815 122.820 0.012 0.000 2.235 97 A HA -0.066 4.254 4.320 -0.000 0.000 0.208 97 A C 0.851 178.430 177.584 -0.009 0.000 1.172 97 A CA 0.784 52.823 52.037 0.004 0.000 0.786 97 A CB -0.833 18.169 19.000 0.004 0.000 0.804 97 A HN 0.799 nan 8.150 nan 0.000 0.479 98 N N -1.792 116.898 118.700 -0.016 0.000 2.754 98 N HA -0.179 4.561 4.740 -0.000 0.000 0.248 98 N C 0.435 175.916 175.510 -0.049 0.000 1.093 98 N CA 0.564 53.588 53.050 -0.044 0.000 0.699 98 N CB -1.653 36.803 38.487 -0.051 0.000 1.016 98 N HN 0.516 nan 8.380 nan 0.000 0.552 99 L N -0.194 121.011 121.223 -0.030 0.000 2.275 99 L HA -0.105 4.235 4.340 -0.000 0.000 0.215 99 L C 2.467 179.319 176.870 -0.030 0.000 1.119 99 L CA 1.487 56.312 54.840 -0.024 0.000 0.790 99 L CB -0.359 41.698 42.059 -0.003 0.000 0.919 99 L HN 0.476 nan 8.230 nan 0.000 0.443 100 S N -0.372 115.296 115.700 -0.052 0.000 2.442 100 S HA -0.043 4.427 4.470 -0.000 0.000 0.236 100 S C 1.745 176.263 174.600 -0.136 0.000 1.007 100 S CA 0.891 59.033 58.200 -0.097 0.000 0.965 100 S CB -0.122 62.966 63.200 -0.188 0.000 0.773 100 S HN 0.571 nan 8.310 nan 0.000 0.504 101 G N 0.353 109.076 108.800 -0.128 0.000 2.213 101 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.226 101 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.226 101 G C -0.111 174.674 174.900 -0.192 0.000 0.992 101 G CA 0.077 45.096 45.100 -0.136 0.000 0.632 101 G HN 0.564 nan 8.290 nan 0.000 0.511 102 L N 1.854 122.924 121.223 -0.254 0.000 2.261 102 L HA 0.603 4.943 4.340 -0.000 0.000 0.289 102 L C -1.197 175.452 176.870 -0.369 0.000 1.059 102 L CA -0.298 54.310 54.840 -0.387 0.000 0.816 102 L CB 1.218 42.998 42.059 -0.466 0.000 1.191 102 L HN 0.177 nan 8.230 nan 0.000 0.431 103 D N 3.751 123.933 120.400 -0.364 0.000 2.575 103 D HA 0.143 4.783 4.640 -0.000 0.000 0.250 103 D C 0.289 176.481 176.300 -0.179 0.000 1.279 103 D CA -0.364 53.507 54.000 -0.215 0.000 0.925 103 D CB 0.820 41.565 40.800 -0.093 0.000 1.261 103 D HN 0.417 nan 8.370 nan 0.000 0.567 104 W N 1.947 123.254 121.300 0.012 0.000 2.525 104 W HA -0.022 4.638 4.660 -0.000 0.000 0.259 104 W C 1.316 177.849 176.519 0.023 0.000 1.253 104 W CA -0.039 57.314 57.345 0.012 0.000 1.262 104 W CB 0.444 29.899 29.460 -0.009 0.000 1.122 104 W HN 0.376 nan 8.180 nan 0.000 0.607 105 D N -0.980 119.540 120.400 0.201 0.000 2.348 105 D HA -0.050 4.590 4.640 -0.000 0.000 0.211 105 D C -0.073 176.295 176.300 0.113 0.000 0.998 105 D CA 1.227 55.310 54.000 0.139 0.000 0.873 105 D CB 0.152 41.007 40.800 0.091 0.000 0.925 105 D HN 0.059 nan 8.370 nan 0.000 0.524 106 D N 0.187 120.639 120.400 0.086 0.000 2.411 106 D HA 0.112 4.752 4.640 -0.000 0.000 0.239 106 D C -0.389 175.928 176.300 0.029 0.000 1.307 106 D CA -0.299 53.733 54.000 0.054 0.000 0.930 106 D CB 0.171 40.981 40.800 0.017 0.000 1.395 106 D HN -0.127 nan 8.370 nan 0.000 0.536 107 L N 2.173 123.448 121.223 0.086 0.000 2.888 107 L HA 0.207 4.547 4.340 -0.000 0.000 0.237 107 L C 1.745 178.628 176.870 0.021 0.000 1.288 107 L CA -0.167 54.709 54.840 0.061 0.000 1.110 107 L CB -0.074 42.098 42.059 0.188 0.000 1.441 107 L HN 0.181 nan 8.230 nan 0.000 0.474 108 S N 0.382 116.074 115.700 -0.014 0.000 2.374 108 S HA -0.172 4.297 4.470 -0.000 0.000 0.227 108 S C 1.934 176.514 174.600 -0.034 0.000 1.037 108 S CA 1.496 59.674 58.200 -0.037 0.000 1.024 108 S CB -0.110 63.068 63.200 -0.036 0.000 0.861 108 S HN 0.546 nan 8.310 nan 0.000 0.456 109 R N 0.018 120.500 120.500 -0.031 0.000 2.317 109 R HA 0.211 4.551 4.340 -0.000 0.000 0.208 109 R C -0.494 175.794 176.300 -0.019 0.000 0.914 109 R CA 0.315 56.398 56.100 -0.029 0.000 1.060 109 R CB 0.053 30.332 30.300 -0.036 0.000 1.015 109 R HN 0.263 nan 8.270 nan 0.000 0.498 110 L N 1.150 122.368 121.223 -0.008 0.000 2.732 110 L HA 0.258 4.598 4.340 -0.000 0.000 0.246 110 L C -1.819 175.090 176.870 0.065 0.000 1.407 110 L CA -1.177 53.672 54.840 0.015 0.000 0.861 110 L CB 1.602 43.654 42.059 -0.011 0.000 1.161 110 L HN -0.169 nan 8.230 nan 0.000 0.510 111 P HA -0.122 nan 4.420 nan 0.000 0.217 111 P C 0.742 178.118 177.300 0.126 0.000 1.150 111 P CA 1.388 64.524 63.100 0.061 0.000 0.832 111 P CB 0.311 32.008 31.700 -0.005 0.000 0.787 112 N N -0.189 118.564 118.700 0.088 0.000 2.188 112 N HA -0.075 4.665 4.740 -0.000 0.000 0.184 112 N C 1.966 177.541 175.510 0.108 0.000 1.018 112 N CA 0.487 53.588 53.050 0.085 0.000 0.858 112 N CB -0.735 37.786 38.487 0.057 0.000 0.989 112 N HN 0.054 nan 8.380 nan 0.000 0.426 113 L N -0.181 121.114 121.223 0.121 0.000 2.046 113 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 113 L C 1.937 178.926 176.870 0.199 0.000 1.077 113 L CA 1.324 56.250 54.840 0.143 0.000 0.747 113 L CB -0.292 41.838 42.059 0.118 0.000 0.896 113 L HN 0.209 nan 8.230 nan 0.000 0.432 114 F N 1.141 121.142 119.950 0.086 0.000 2.091 114 F HA -0.361 4.166 4.527 -0.000 0.000 0.299 114 F C 2.589 178.432 175.800 0.072 0.000 1.103 114 F CA 2.253 60.310 58.000 0.096 0.000 1.228 114 F CB -0.096 38.941 39.000 0.062 0.000 0.984 114 F HN -0.053 nan 8.300 nan 0.000 0.477 115 K N 0.513 121.103 120.400 0.318 0.000 2.032 115 K HA -0.223 4.097 4.320 -0.000 0.000 0.209 115 K C 1.940 178.548 176.600 0.012 0.000 1.048 115 K CA 1.790 58.177 56.287 0.168 0.000 0.927 115 K CB -0.895 31.675 32.500 0.117 0.000 0.712 115 K HN 0.369 nan 8.250 nan 0.000 0.441 116 L N 1.111 122.335 121.223 0.002 0.000 2.017 116 L HA -0.115 4.225 4.340 -0.000 0.000 0.208 116 L C 2.357 179.192 176.870 -0.058 0.000 1.073 116 L CA 1.896 56.697 54.840 -0.066 0.000 0.745 116 L CB -0.649 41.391 42.059 -0.032 0.000 0.894 116 L HN 0.238 nan 8.230 nan 0.000 0.432 117 R N -0.930 119.566 120.500 -0.007 0.000 2.091 117 R HA -0.233 4.106 4.340 -0.000 0.000 0.238 117 R C 2.417 178.729 176.300 0.020 0.000 1.136 117 R CA 1.952 58.064 56.100 0.021 0.000 0.959 117 R CB -0.384 29.894 30.300 -0.037 0.000 0.856 117 R HN 0.639 nan 8.270 nan 0.000 0.437 118 Q N 0.787 120.519 119.800 -0.113 0.000 2.050 118 Q HA -0.177 4.163 4.340 -0.000 0.000 0.202 118 Q C 2.230 178.261 176.000 0.052 0.000 0.980 118 Q CA 2.177 57.939 55.803 -0.068 0.000 0.840 118 Q CB -0.212 28.476 28.738 -0.084 0.000 0.898 118 Q HN 0.645 nan 8.270 nan 0.000 0.424 119 I N -2.267 118.310 120.570 0.012 0.000 2.315 119 I HA -0.190 3.980 4.170 -0.000 0.000 0.248 119 I C 1.962 178.179 176.117 0.166 0.000 1.117 119 I CA 1.021 62.365 61.300 0.073 0.000 1.404 119 I CB -0.339 37.556 38.000 -0.175 0.000 1.071 119 I HN 0.111 nan 8.210 nan 0.000 0.419 120 L N -0.486 120.721 121.223 -0.028 0.000 2.217 120 L HA -0.089 4.251 4.340 -0.000 0.000 0.211 120 L C 1.641 178.432 176.870 -0.132 0.000 1.107 120 L CA 1.257 55.934 54.840 -0.272 0.000 0.783 120 L CB -0.295 41.474 42.059 -0.483 0.000 0.919 120 L HN 0.270 nan 8.230 nan 0.000 0.442 121 Y N -1.039 119.326 120.300 0.109 0.000 2.507 121 Y HA 0.123 4.673 4.550 0.000 0.000 0.254 121 Y C 1.613 177.620 175.900 0.178 0.000 1.171 121 Y CA -0.607 57.611 58.100 0.196 0.000 1.238 121 Y CB 0.172 38.676 38.460 0.073 0.000 1.148 121 Y HN 0.043 nan 8.280 nan 0.000 0.525 122 S N 0.174 116.043 115.700 0.281 0.000 2.573 122 S HA -0.045 4.425 4.470 -0.000 0.000 0.277 122 S C 1.562 176.290 174.600 0.214 0.000 1.346 122 S CA -0.495 57.841 58.200 0.227 0.000 1.034 122 S CB 1.173 64.513 63.200 0.233 0.000 0.879 122 S HN 0.440 nan 8.310 nan 0.000 0.528 123 K N 1.374 121.864 120.400 0.149 0.000 2.044 123 K HA -0.248 4.072 4.320 -0.000 0.000 0.210 123 K C 2.135 178.804 176.600 0.116 0.000 1.049 123 K CA 2.201 58.555 56.287 0.113 0.000 0.927 123 K CB -0.472 32.070 32.500 0.070 0.000 0.713 123 K HN 0.787 nan 8.250 nan 0.000 0.443 124 Q N -0.602 119.266 119.800 0.114 0.000 2.045 124 Q HA -0.214 4.126 4.340 -0.000 0.000 0.206 124 Q C 1.952 178.149 176.000 0.329 0.000 0.991 124 Q CA 2.305 58.175 55.803 0.113 0.000 0.851 124 Q CB -0.487 28.190 28.738 -0.102 0.000 0.911 124 Q HN 0.451 nan 8.270 nan 0.000 0.418 125 Y N 0.678 121.115 120.300 0.229 0.000 2.200 125 Y HA -0.148 4.402 4.550 -0.000 0.000 0.290 125 Y C 2.094 178.002 175.900 0.014 0.000 1.137 125 Y CA 1.319 59.461 58.100 0.069 0.000 1.163 125 Y CB 0.175 38.553 38.460 -0.137 0.000 0.988 125 Y HN -0.053 nan 8.280 nan 0.000 0.518 126 R N 0.031 120.553 120.500 0.036 0.000 2.081 126 R HA -0.170 4.170 4.340 -0.000 0.000 0.235 126 R C 1.730 177.967 176.300 -0.105 0.000 1.131 126 R CA 1.612 57.650 56.100 -0.102 0.000 0.960 126 R CB -0.338 29.980 30.300 0.029 0.000 0.856 126 R HN 0.384 nan 8.270 nan 0.000 0.436 127 D N 0.212 120.612 120.400 -0.001 0.000 2.097 127 D HA -0.187 4.453 4.640 -0.000 0.000 0.195 127 D C 1.564 177.879 176.300 0.026 0.000 0.989 127 D CA 1.056 55.067 54.000 0.019 0.000 0.827 127 D CB -0.310 40.523 40.800 0.057 0.000 0.966 127 D HN 0.105 nan 8.370 nan 0.000 0.456 128 F N 0.616 120.500 119.950 -0.110 0.000 2.095 128 F HA -0.210 4.317 4.527 -0.000 0.000 0.298 128 F C 2.093 177.763 175.800 -0.216 0.000 1.104 128 F CA 1.132 59.038 58.000 -0.156 0.000 1.232 128 F CB -0.488 38.313 39.000 -0.332 0.000 0.987 128 F HN -0.154 nan 8.300 nan 0.000 0.475 129 F N 1.186 120.570 119.950 -0.943 0.000 2.186 129 F HA 0.104 4.631 4.527 -0.000 0.000 0.299 129 F C 2.533 177.904 175.800 -0.714 0.000 1.090 129 F CA 1.348 58.679 58.000 -1.114 0.000 1.307 129 F CB -1.155 37.169 39.000 -1.126 0.000 1.019 129 F HN 0.062 nan 8.300 nan 0.000 0.489 130 G N -1.685 106.893 108.800 -0.370 0.000 2.408 130 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.217 130 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.217 130 G C 1.612 176.372 174.900 -0.234 0.000 1.150 130 G CA 0.863 45.796 45.100 -0.278 0.000 0.776 130 G HN 0.440 nan 8.290 nan 0.000 0.542 131 Y N 1.016 121.129 120.300 -0.311 0.000 2.133 131 Y HA -0.041 4.509 4.550 -0.000 0.000 0.287 131 Y C 2.741 178.453 175.900 -0.313 0.000 1.134 131 Y CA 1.503 59.451 58.100 -0.253 0.000 1.133 131 Y CB -0.585 37.764 38.460 -0.185 0.000 0.987 131 Y HN 0.013 nan 8.280 nan 0.000 0.502 132 V N 0.316 119.848 119.914 -0.637 0.000 2.490 132 V HA -0.265 3.855 4.120 -0.000 0.000 0.250 132 V C 2.235 178.000 176.094 -0.550 0.000 1.061 132 V CA 2.607 64.485 62.300 -0.702 0.000 1.064 132 V CB -0.907 30.450 31.823 -0.778 0.000 0.670 132 V HN 0.776 nan 8.190 nan 0.000 0.461 133 T N -4.173 110.067 114.554 -0.522 0.000 3.086 133 T HA 0.099 4.449 4.350 -0.000 0.000 0.250 133 T C 0.899 175.435 174.700 -0.273 0.000 1.074 133 T CA 0.108 61.993 62.100 -0.358 0.000 0.988 133 T CB -0.153 68.481 68.868 -0.391 0.000 0.988 133 T HN 0.482 nan 8.240 nan 0.000 0.530 134 K N 0.239 120.455 120.400 -0.307 0.000 3.069 134 K HA -0.192 4.128 4.320 -0.000 0.000 0.267 134 K C 0.997 177.510 176.600 -0.144 0.000 1.082 134 K CA 0.345 56.505 56.287 -0.213 0.000 0.782 134 K CB -1.724 30.667 32.500 -0.183 0.000 1.230 134 K HN 0.571 nan 8.250 nan 0.000 0.488 135 A N 0.145 122.868 122.820 -0.162 0.000 2.238 135 A HA 0.469 4.789 4.320 -0.000 0.000 0.210 135 A C 1.366 178.890 177.584 -0.101 0.000 1.179 135 A CA 1.303 53.265 52.037 -0.125 0.000 0.827 135 A CB 0.017 18.930 19.000 -0.145 0.000 0.856 135 A HN 0.909 nan 8.150 nan 0.000 0.488 136 G N 0.081 108.827 108.800 -0.090 0.000 2.525 136 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.248 136 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.248 136 G C -0.316 174.554 174.900 -0.051 0.000 1.238 136 G CA -0.040 45.026 45.100 -0.056 0.000 0.926 136 G HN 0.407 nan 8.290 nan 0.000 0.574 137 K N 0.136 120.521 120.400 -0.025 0.000 2.154 137 K HA 0.684 5.004 4.320 -0.000 0.000 0.264 137 K C 0.177 176.787 176.600 0.018 0.000 1.008 137 K CA -0.112 56.175 56.287 0.001 0.000 0.937 137 K CB 0.843 33.359 32.500 0.025 0.000 1.002 137 K HN 0.515 nan 8.250 nan 0.000 0.469 138 L N 0.248 121.505 121.223 0.056 0.000 2.422 138 L HA 0.240 4.580 4.340 -0.000 0.000 0.264 138 L C 0.197 177.188 176.870 0.201 0.000 0.984 138 L CA -0.925 53.993 54.840 0.131 0.000 0.819 138 L CB 2.056 44.175 42.059 0.100 0.000 1.330 138 L HN 0.497 nan 8.230 nan 0.000 0.410 139 S N 0.600 116.455 115.700 0.257 0.000 2.537 139 S HA 0.178 4.648 4.470 -0.000 0.000 0.286 139 S C 1.085 175.863 174.600 0.297 0.000 1.299 139 S CA 0.305 58.642 58.200 0.227 0.000 1.067 139 S CB 0.972 64.287 63.200 0.192 0.000 0.864 139 S HN 0.814 nan 8.310 nan 0.000 0.494 140 G N 2.402 111.323 108.800 0.202 0.000 2.603 140 G HA2 -0.037 3.923 3.960 -0.000 0.000 0.214 140 G HA3 -0.037 3.923 3.960 -0.000 0.000 0.214 140 G C 1.442 176.388 174.900 0.078 0.000 1.140 140 G CA 0.542 45.770 45.100 0.214 0.000 0.800 140 G HN 0.839 nan 8.290 nan 0.000 0.533 141 S N -0.637 115.068 115.700 0.007 0.000 2.483 141 S HA 0.196 4.666 4.470 -0.000 0.000 0.221 141 S C 1.245 175.744 174.600 -0.169 0.000 1.030 141 S CA 0.088 58.239 58.200 -0.081 0.000 0.925 141 S CB 0.066 63.233 63.200 -0.055 0.000 0.795 141 S HN 0.148 nan 8.310 nan 0.000 0.511 142 K N 4.039 124.354 120.400 -0.142 0.000 2.307 142 K HA 0.136 4.455 4.320 -0.000 0.000 0.240 142 K C -0.338 176.064 176.600 -0.330 0.000 1.214 142 K CA -0.112 56.040 56.287 -0.224 0.000 1.149 142 K CB -0.458 31.913 32.500 -0.216 0.000 1.668 142 K HN 0.530 nan 8.250 nan 0.000 0.314 143 T N -0.707 113.506 114.554 -0.569 0.000 2.884 143 T HA 0.140 4.490 4.350 -0.000 0.000 0.298 143 T C -0.149 174.240 174.700 -0.518 0.000 0.998 143 T CA -0.698 60.813 62.100 -0.981 0.000 1.124 143 T CB 1.248 69.519 68.868 -0.995 0.000 0.931 143 T HN 0.287 nan 8.240 nan 0.000 0.531 144 D N 2.517 122.733 120.400 -0.308 0.000 2.337 144 D HA 0.360 5.000 4.640 -0.000 0.000 0.238 144 D C -1.084 175.197 176.300 -0.032 0.000 1.331 144 D CA -0.321 53.636 54.000 -0.071 0.000 0.967 144 D CB 0.582 41.583 40.800 0.334 0.000 1.382 144 D HN 0.675 nan 8.370 nan 0.000 0.549 145 M N 1.173 120.557 119.600 -0.359 0.000 2.501 145 M HA 0.501 4.981 4.480 -0.000 0.000 0.293 145 M C -0.669 175.581 176.300 -0.084 0.000 1.192 145 M CA -0.729 54.379 55.300 -0.320 0.000 0.886 145 M CB 2.535 34.845 32.600 -0.483 0.000 1.710 145 M HN 0.320 nan 8.290 nan 0.000 0.457 146 S N 1.960 117.718 115.700 0.097 0.000 2.546 146 S HA 0.822 5.292 4.470 -0.000 0.000 0.274 146 S C -1.151 173.593 174.600 0.241 0.000 1.121 146 S CA -0.857 57.520 58.200 0.295 0.000 0.887 146 S CB 1.403 64.740 63.200 0.229 0.000 1.094 146 S HN 0.644 nan 8.310 nan 0.000 0.474 147 I N 2.399 123.150 120.570 0.302 0.000 2.389 147 I HA 0.472 4.642 4.170 -0.000 0.000 0.288 147 I C -0.633 175.684 176.117 0.334 0.000 0.999 147 I CA -0.543 60.926 61.300 0.281 0.000 1.129 147 I CB 1.578 39.762 38.000 0.307 0.000 1.288 147 I HN 0.726 nan 8.210 nan 0.000 0.444 148 N N 2.654 121.476 118.700 0.203 0.000 2.284 148 N HA 0.613 5.353 4.740 -0.000 0.000 0.289 148 N C -1.026 174.425 175.510 -0.097 0.000 1.179 148 N CA -0.823 52.284 53.050 0.095 0.000 0.774 148 N CB 2.350 40.883 38.487 0.076 0.000 1.548 148 N HN 0.591 nan 8.380 nan 0.000 0.473 149 T N -1.459 112.893 114.554 -0.337 0.000 2.856 149 T HA 0.497 4.847 4.350 -0.000 0.000 0.283 149 T C -1.398 173.238 174.700 -0.106 0.000 1.008 149 T CA -0.483 61.464 62.100 -0.255 0.000 0.997 149 T CB 0.596 69.159 68.868 -0.509 0.000 0.992 149 T HN 0.274 nan 8.240 nan 0.000 0.454 150 Y N 2.284 122.508 120.300 -0.127 0.000 2.342 150 Y HA 0.506 5.056 4.550 0.000 0.000 0.338 150 Y C 1.310 177.176 175.900 -0.057 0.000 0.965 150 Y CA -0.680 57.386 58.100 -0.056 0.000 1.159 150 Y CB 1.537 40.003 38.460 0.010 0.000 1.157 150 Y HN 1.032 nan 8.280 nan 0.000 0.486 151 T N -0.550 113.998 114.554 -0.010 0.000 2.889 151 T HA 0.366 4.715 4.350 -0.000 0.000 0.278 151 T C -0.131 174.602 174.700 0.055 0.000 0.995 151 T CA -1.343 60.699 62.100 -0.096 0.000 0.966 151 T CB 0.929 69.609 68.868 -0.314 0.000 1.237 151 T HN 0.458 nan 8.240 nan 0.000 0.591 152 K N 0.258 120.680 120.400 0.037 0.000 2.466 152 K HA 0.260 4.580 4.320 -0.000 0.000 0.278 152 K C 1.353 178.048 176.600 0.158 0.000 1.048 152 K CA 1.290 57.642 56.287 0.107 0.000 1.088 152 K CB -0.720 31.822 32.500 0.070 0.000 0.884 152 K HN 1.068 nan 8.250 nan 0.000 0.478 153 G N 2.891 111.840 108.800 0.248 0.000 2.217 153 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.246 153 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.246 153 G C 0.242 175.398 174.900 0.427 0.000 0.990 153 G CA 0.004 45.301 45.100 0.328 0.000 0.627 153 G HN 0.685 nan 8.290 nan 0.000 0.522 154 C N 3.186 122.666 119.300 0.300 0.000 2.652 154 C HA 0.713 5.173 4.460 -0.000 0.000 0.412 154 C C 0.542 175.774 174.990 0.405 0.000 1.294 154 C CA 0.497 59.630 59.018 0.192 0.000 2.127 154 C CB -0.344 27.389 27.740 -0.011 0.000 2.691 154 C HN 0.768 nan 8.230 nan 0.000 0.615 155 H N 0.879 120.087 119.070 0.229 0.000 2.987 155 H HA 0.627 5.183 4.556 -0.000 0.000 0.316 155 H C -2.086 173.370 175.328 0.214 0.000 1.380 155 H CA -0.991 55.197 56.048 0.233 0.000 1.160 155 H CB 0.990 30.696 29.762 -0.093 0.000 1.865 155 H HN 0.506 nan 8.280 nan 0.000 0.521 156 L N 1.873 123.259 121.223 0.271 0.000 2.439 156 L HA 0.447 4.787 4.340 -0.000 0.000 0.270 156 L C -1.312 175.631 176.870 0.122 0.000 0.972 156 L CA -0.450 54.494 54.840 0.173 0.000 0.836 156 L CB 1.503 43.692 42.059 0.216 0.000 1.255 156 L HN 0.667 nan 8.230 nan 0.000 0.404 157 L N 2.551 123.783 121.223 0.015 0.000 2.468 157 L HA 0.426 4.766 4.340 -0.000 0.000 0.254 157 L C 0.519 177.400 176.870 0.018 0.000 1.171 157 L CA -0.759 54.003 54.840 -0.130 0.000 0.809 157 L CB 0.754 42.534 42.059 -0.466 0.000 1.155 157 L HN 0.618 nan 8.230 nan 0.000 0.473 158 T N 1.210 115.726 114.554 -0.063 0.000 2.866 158 T HA 0.097 4.447 4.350 -0.000 0.000 0.293 158 T C -0.230 174.557 174.700 0.145 0.000 1.005 158 T CA 0.221 62.277 62.100 -0.073 0.000 1.162 158 T CB -0.510 68.136 68.868 -0.370 0.000 0.968 158 T HN 0.679 nan 8.240 nan 0.000 0.530 159 H N 1.331 120.384 119.070 -0.028 0.000 2.948 159 H HA 0.373 4.929 4.556 0.000 0.000 0.315 159 H C -0.671 174.636 175.328 -0.035 0.000 1.360 159 H CA -1.097 54.985 56.048 0.056 0.000 1.125 159 H CB 1.013 30.777 29.762 0.003 0.000 1.844 159 H HN 0.525 nan 8.280 nan 0.000 0.529 160 D N -1.198 119.121 120.400 -0.134 0.000 2.469 160 D HA 0.077 4.717 4.640 -0.000 0.000 0.213 160 D C 0.019 176.372 176.300 0.088 0.000 1.135 160 D CA 0.204 54.015 54.000 -0.316 0.000 0.834 160 D CB 0.316 40.571 40.800 -0.909 0.000 1.009 160 D HN 0.499 nan 8.370 nan 0.000 0.507 161 D N -0.693 119.890 120.400 0.306 0.000 2.978 161 D HA -0.179 4.461 4.640 -0.000 0.000 0.205 161 D C -0.088 176.330 176.300 0.196 0.000 1.093 161 D CA 0.749 54.995 54.000 0.410 0.000 1.006 161 D CB -1.191 39.999 40.800 0.650 0.000 1.116 161 D HN 0.329 nan 8.370 nan 0.000 0.419 162 V N 2.079 122.060 119.914 0.111 0.000 2.341 162 V HA 0.203 4.323 4.120 -0.000 0.000 0.248 162 V C -0.192 175.936 176.094 0.056 0.000 1.107 162 V CA 0.170 62.526 62.300 0.092 0.000 1.069 162 V CB -0.303 31.534 31.823 0.022 0.000 1.177 162 V HN 0.039 nan 8.190 nan 0.000 0.492 163 I N 5.637 126.233 120.570 0.044 0.000 2.686 163 I HA 0.625 4.795 4.170 -0.000 0.000 0.295 163 I C 0.964 177.110 176.117 0.047 0.000 1.114 163 I CA 0.344 61.642 61.300 -0.003 0.000 1.038 163 I CB 1.008 38.942 38.000 -0.110 0.000 1.238 163 I HN 0.671 nan 8.210 nan 0.000 0.420 164 G N 4.806 113.656 108.800 0.083 0.000 2.661 164 G HA2 -0.331 3.628 3.960 -0.000 0.000 0.327 164 G HA3 -0.331 3.628 3.960 -0.000 0.000 0.327 164 G C 0.650 175.704 174.900 0.257 0.000 1.320 164 G CA 0.961 46.145 45.100 0.140 0.000 0.997 164 G HN 0.942 nan 8.290 nan 0.000 0.543 165 S N 0.313 116.154 115.700 0.236 0.000 2.660 165 S HA 0.339 4.809 4.470 -0.000 0.000 0.227 165 S C 0.866 175.502 174.600 0.059 0.000 0.948 165 S CA 0.358 58.671 58.200 0.189 0.000 0.948 165 S CB 0.117 63.445 63.200 0.214 0.000 0.779 165 S HN 0.685 nan 8.310 nan 0.000 0.487 166 R N 1.491 121.962 120.500 -0.049 0.000 2.458 166 R HA 0.217 4.557 4.340 -0.000 0.000 0.303 166 R C 1.263 177.491 176.300 -0.121 0.000 1.013 166 R CA 0.019 55.963 56.100 -0.260 0.000 1.026 166 R CB 0.368 30.514 30.300 -0.257 0.000 0.948 166 R HN 0.437 nan 8.270 nan 0.000 0.417 167 R N 3.249 123.685 120.500 -0.107 0.000 2.144 167 R HA 0.228 4.568 4.340 -0.000 0.000 0.195 167 R C 0.068 176.395 176.300 0.045 0.000 1.077 167 R CA 0.331 56.368 56.100 -0.104 0.000 1.120 167 R CB 0.669 30.884 30.300 -0.141 0.000 1.060 167 R HN 0.480 nan 8.270 nan 0.000 0.520 168 I N 0.939 121.599 120.570 0.151 0.000 2.474 168 I HA 0.255 4.425 4.170 -0.000 0.000 0.294 168 I C -0.612 175.637 176.117 0.220 0.000 1.005 168 I CA -0.824 60.586 61.300 0.183 0.000 1.113 168 I CB 2.074 40.206 38.000 0.220 0.000 1.289 168 I HN 0.023 nan 8.210 nan 0.000 0.436 169 S N 6.075 121.748 115.700 -0.044 0.000 2.508 169 S HA 0.720 5.190 4.470 -0.000 0.000 0.284 169 S C -0.774 173.635 174.600 -0.318 0.000 1.192 169 S CA -0.469 57.508 58.200 -0.372 0.000 1.070 169 S CB 0.428 63.259 63.200 -0.615 0.000 1.004 169 S HN 0.410 nan 8.310 nan 0.000 0.493 170 F N 4.193 123.891 119.950 -0.421 0.000 2.599 170 F HA 0.799 5.326 4.527 0.000 0.000 0.311 170 F C -1.265 174.346 175.800 -0.315 0.000 1.076 170 F CA -1.298 56.593 58.000 -0.182 0.000 0.937 170 F CB 1.196 40.242 39.000 0.078 0.000 1.282 170 F HN 0.248 nan 8.300 nan 0.000 0.460 171 I N 4.213 124.747 120.570 -0.059 0.000 2.447 171 I HA 0.446 4.616 4.170 -0.000 0.000 0.287 171 I C -1.427 174.548 176.117 -0.237 0.000 1.023 171 I CA -0.786 60.337 61.300 -0.295 0.000 1.083 171 I CB 1.461 39.125 38.000 -0.559 0.000 1.245 171 I HN 0.733 nan 8.210 nan 0.000 0.434 172 L N 7.220 128.319 121.223 -0.207 0.000 2.295 172 L HA 0.532 4.872 4.340 -0.000 0.000 0.285 172 L C -1.371 175.305 176.870 -0.323 0.000 1.035 172 L CA -0.088 54.650 54.840 -0.169 0.000 0.806 172 L CB 1.082 43.115 42.059 -0.042 0.000 1.214 172 L HN 0.316 nan 8.230 nan 0.000 0.426 173 Y N 5.597 125.853 120.300 -0.074 0.000 2.341 173 Y HA 0.521 5.071 4.550 -0.000 0.000 0.337 173 Y C -0.196 175.636 175.900 -0.114 0.000 1.014 173 Y CA -0.559 57.479 58.100 -0.103 0.000 1.111 173 Y CB 1.443 39.829 38.460 -0.123 0.000 1.194 173 Y HN 0.411 nan 8.280 nan 0.000 0.462 174 L N 5.704 126.985 121.223 0.096 0.000 2.999 174 L HA 0.335 4.675 4.340 -0.000 0.000 0.263 174 L C -2.352 174.679 176.870 0.268 0.000 1.320 174 L CA -1.448 53.512 54.840 0.201 0.000 0.913 174 L CB -0.156 42.001 42.059 0.163 0.000 1.296 174 L HN 0.402 nan 8.230 nan 0.000 0.546 175 P HA -0.017 nan 4.420 nan 0.000 0.274 175 P C -0.141 177.311 177.300 0.253 0.000 1.260 175 P CA -0.393 62.797 63.100 0.151 0.000 0.793 175 P CB 0.672 32.388 31.700 0.025 0.000 1.048 176 D N 1.261 121.785 120.400 0.207 0.000 2.662 176 D HA -0.072 4.568 4.640 -0.000 0.000 0.237 176 D C -1.065 175.228 176.300 -0.012 0.000 1.154 176 D CA -0.938 53.116 54.000 0.091 0.000 0.861 176 D CB 0.230 41.104 40.800 0.123 0.000 1.146 176 D HN 0.177 nan 8.370 nan 0.000 0.518 177 P HA -0.053 nan 4.420 nan 0.000 0.230 177 P C 0.108 177.263 177.300 -0.242 0.000 1.158 177 P CA 0.730 63.432 63.100 -0.663 0.000 0.769 177 P CB 0.493 31.338 31.700 -1.425 0.000 0.807 178 D N -0.619 119.708 120.400 -0.122 0.000 2.440 178 D HA 0.161 4.801 4.640 -0.000 0.000 0.216 178 D C 0.580 176.889 176.300 0.015 0.000 1.150 178 D CA 0.103 54.075 54.000 -0.048 0.000 0.832 178 D CB 0.986 41.753 40.800 -0.055 0.000 0.992 178 D HN 0.236 nan 8.370 nan 0.000 0.502 179 R N 0.517 121.053 120.500 0.059 0.000 2.771 179 R HA 0.342 4.682 4.340 -0.000 0.000 0.274 179 R C -0.235 176.154 176.300 0.148 0.000 0.987 179 R CA -0.781 55.379 56.100 0.100 0.000 0.908 179 R CB 2.571 32.944 30.300 0.121 0.000 1.213 179 R HN -0.200 nan 8.270 nan 0.000 0.468 180 K N 1.935 122.407 120.400 0.120 0.000 2.322 180 K HA 0.072 4.392 4.320 -0.000 0.000 0.283 180 K C -0.741 175.955 176.600 0.160 0.000 1.042 180 K CA -0.274 56.086 56.287 0.121 0.000 0.958 180 K CB 0.839 33.359 32.500 0.035 0.000 0.984 180 K HN 0.519 nan 8.250 nan 0.000 0.473 181 W N 6.397 127.714 121.300 0.029 0.000 2.358 181 W HA 0.152 4.812 4.660 -0.000 0.000 0.307 181 W C -0.701 175.661 176.519 -0.262 0.000 1.203 181 W CA -0.395 56.961 57.345 0.018 0.000 1.279 181 W CB 0.584 30.098 29.460 0.090 0.000 1.264 181 W HN 0.557 nan 8.180 nan 0.000 0.474 182 K N 3.083 122.781 120.400 -1.171 0.000 2.095 182 K HA 0.214 4.534 4.320 -0.000 0.000 0.252 182 K C 1.235 177.398 176.600 -0.728 0.000 0.977 182 K CA -0.571 55.132 56.287 -0.973 0.000 0.900 182 K CB 1.656 33.388 32.500 -1.279 0.000 1.060 182 K HN 0.310 nan 8.250 nan 0.000 0.449 183 S N 1.220 116.710 115.700 -0.350 0.000 2.359 183 S HA -0.209 4.261 4.470 -0.000 0.000 0.223 183 S C 1.782 176.272 174.600 -0.183 0.000 1.039 183 S CA 1.625 59.726 58.200 -0.165 0.000 1.042 183 S CB -0.563 62.591 63.200 -0.078 0.000 0.915 183 S HN 0.778 nan 8.310 nan 0.000 0.439 184 H N -0.636 118.291 119.070 -0.238 0.000 2.545 184 H HA -0.020 4.536 4.556 -0.000 0.000 0.282 184 H C 1.269 176.556 175.328 -0.068 0.000 1.020 184 H CA 1.002 56.946 56.048 -0.173 0.000 1.243 184 H CB -0.479 29.187 29.762 -0.160 0.000 1.377 184 H HN 0.391 nan 8.280 nan 0.000 0.581 185 Y N 1.759 121.646 120.300 -0.688 0.000 2.421 185 Y HA 0.101 4.651 4.550 0.000 0.000 0.292 185 Y C 2.137 177.926 175.900 -0.185 0.000 1.136 185 Y CA 0.512 58.233 58.100 -0.631 0.000 1.255 185 Y CB -0.718 36.934 38.460 -1.347 0.000 0.991 185 Y HN 0.571 nan 8.280 nan 0.000 0.552 186 G N -0.834 108.027 108.800 0.102 0.000 2.593 186 G HA2 0.043 4.003 3.960 -0.000 0.000 0.237 186 G HA3 0.043 4.003 3.960 -0.000 0.000 0.237 186 G C 0.887 176.034 174.900 0.413 0.000 1.312 186 G CA 0.285 45.510 45.100 0.208 0.000 0.896 186 G HN 1.133 nan 8.290 nan 0.000 0.574 187 G N -1.185 107.806 108.800 0.318 0.000 2.168 187 G HA2 0.223 4.183 3.960 -0.000 0.000 0.263 187 G HA3 0.223 4.183 3.960 -0.000 0.000 0.263 187 G C 1.693 176.640 174.900 0.078 0.000 0.977 187 G CA 1.227 46.447 45.100 0.201 0.000 0.659 187 G HN 2.493 nan 8.290 nan 0.000 0.533 188 G N -0.613 108.260 108.800 0.122 0.000 2.484 188 G HA2 0.433 4.393 3.960 -0.000 0.000 0.235 188 G HA3 0.433 4.393 3.960 -0.000 0.000 0.235 188 G C 0.317 175.229 174.900 0.020 0.000 1.282 188 G CA -0.108 45.016 45.100 0.039 0.000 0.857 188 G HN 0.840 nan 8.290 nan 0.000 0.571 189 L N 2.127 123.338 121.223 -0.020 0.000 2.290 189 L HA 0.480 4.820 4.340 -0.000 0.000 0.284 189 L C 0.004 176.845 176.870 -0.049 0.000 1.078 189 L CA -0.268 54.588 54.840 0.026 0.000 0.815 189 L CB 0.545 42.639 42.059 0.058 0.000 1.162 189 L HN 0.561 nan 8.230 nan 0.000 0.435 190 R N 5.777 126.285 120.500 0.012 0.000 2.599 190 R HA 0.692 5.032 4.340 -0.000 0.000 0.295 190 R C -1.233 175.005 176.300 -0.104 0.000 0.963 190 R CA -0.807 55.229 56.100 -0.107 0.000 0.883 190 R CB 2.252 32.501 30.300 -0.085 0.000 1.171 190 R HN 0.586 nan 8.270 nan 0.000 0.450 191 L N 2.483 123.509 121.223 -0.329 0.000 2.362 191 L HA 0.597 4.937 4.340 -0.000 0.000 0.271 191 L C -0.871 175.845 176.870 -0.256 0.000 1.002 191 L CA -0.809 53.906 54.840 -0.208 0.000 0.818 191 L CB 1.360 43.067 42.059 -0.586 0.000 1.298 191 L HN 0.428 nan 8.230 nan 0.000 0.420 192 F N 2.468 122.511 119.950 0.154 0.000 2.444 192 F HA 0.498 5.025 4.527 0.000 0.000 0.342 192 F C -1.913 174.021 175.800 0.224 0.000 1.121 192 F CA -1.982 56.115 58.000 0.162 0.000 0.997 192 F CB 1.617 40.709 39.000 0.153 0.000 1.130 192 F HN 0.248 nan 8.300 nan 0.000 0.454 193 P HA 0.153 nan 4.420 nan 0.000 0.275 193 P C -0.868 176.611 177.300 0.298 0.000 1.266 193 P CA -0.371 62.887 63.100 0.264 0.000 0.793 193 P CB 1.075 32.858 31.700 0.138 0.000 1.074 194 S N -0.020 115.843 115.700 0.271 0.000 2.500 194 S HA 0.352 4.822 4.470 -0.000 0.000 0.301 194 S C 1.476 176.159 174.600 0.138 0.000 1.092 194 S CA -0.600 57.708 58.200 0.180 0.000 1.030 194 S CB 0.716 64.030 63.200 0.190 0.000 1.031 194 S HN 0.311 nan 8.310 nan 0.000 0.483 195 I N 2.257 122.855 120.570 0.047 0.000 2.286 195 I HA -0.031 4.139 4.170 -0.000 0.000 0.245 195 I C 0.226 176.311 176.117 -0.053 0.000 1.104 195 I CA 0.921 62.231 61.300 0.018 0.000 1.397 195 I CB 0.007 37.963 38.000 -0.073 0.000 1.072 195 I HN 0.415 nan 8.210 nan 0.000 0.417 196 L N -3.880 117.247 121.223 -0.160 0.000 2.892 196 L HA 0.607 4.947 4.340 -0.000 0.000 0.269 196 L C -3.132 173.566 176.870 -0.287 0.000 1.058 196 L CA -2.383 52.353 54.840 -0.173 0.000 0.923 196 L CB -0.112 41.802 42.059 -0.242 0.000 1.518 196 L HN -0.298 nan 8.230 nan 0.000 0.402 197 P HA 0.139 nan 4.420 nan 0.000 0.263 197 P C 0.079 177.128 177.300 -0.418 0.000 1.175 197 P CA 1.123 63.866 63.100 -0.596 0.000 0.761 197 P CB 0.022 31.486 31.700 -0.393 0.000 0.794 198 N N -0.465 118.015 118.700 -0.367 0.000 2.765 198 N HA -0.164 4.576 4.740 -0.000 0.000 0.248 198 N C -0.852 174.491 175.510 -0.280 0.000 1.063 198 N CA 0.597 53.575 53.050 -0.119 0.000 0.862 198 N CB -0.994 37.453 38.487 -0.066 0.000 1.145 198 N HN 0.125 nan 8.380 nan 0.000 0.581 199 V N 0.748 120.438 119.914 -0.373 0.000 2.276 199 V HA 0.342 4.462 4.120 -0.000 0.000 0.268 199 V C -2.050 173.796 176.094 -0.413 0.000 1.032 199 V CA -1.291 60.763 62.300 -0.411 0.000 0.810 199 V CB 1.103 32.676 31.823 -0.416 0.000 1.060 199 V HN -0.056 nan 8.190 nan 0.000 0.446 200 P HA 0.136 nan 4.420 nan 0.000 0.272 200 P C -0.312 176.893 177.300 -0.158 0.000 1.223 200 P CA -0.031 62.808 63.100 -0.434 0.000 0.784 200 P CB 0.816 31.984 31.700 -0.886 0.000 0.923 201 H N 0.476 119.539 119.070 -0.011 0.000 2.707 201 H HA 0.068 4.624 4.556 -0.000 0.000 0.359 201 H C 1.718 177.118 175.328 0.120 0.000 1.113 201 H CA 0.541 56.621 56.048 0.055 0.000 1.422 201 H CB 0.922 30.743 29.762 0.098 0.000 1.443 201 H HN 0.298 nan 8.280 nan 0.000 0.591 202 S N 1.680 117.479 115.700 0.164 0.000 2.383 202 S HA -0.117 4.353 4.470 -0.000 0.000 0.229 202 S C 0.015 174.816 174.600 0.336 0.000 1.030 202 S CA 1.147 59.446 58.200 0.165 0.000 1.002 202 S CB -0.061 63.160 63.200 0.035 0.000 0.829 202 S HN 0.667 nan 8.310 nan 0.000 0.467 203 D N 1.990 122.559 120.400 0.282 0.000 2.192 203 D HA 0.381 5.021 4.640 -0.000 0.000 0.246 203 D C -2.631 173.637 176.300 -0.053 0.000 1.042 203 D CA -1.628 52.409 54.000 0.063 0.000 0.847 203 D CB 1.600 42.160 40.800 -0.401 0.000 1.186 203 D HN 0.240 nan 8.370 nan 0.000 0.461 204 P HA 0.049 nan 4.420 nan 0.000 0.274 204 P C 0.328 177.431 177.300 -0.329 0.000 1.237 204 P CA -0.279 62.307 63.100 -0.857 0.000 0.793 204 P CB 0.957 32.011 31.700 -1.077 0.000 0.977 205 S N -0.285 115.251 115.700 -0.273 0.000 2.540 205 S HA 0.523 4.993 4.470 -0.000 0.000 0.222 205 S C 0.506 175.023 174.600 -0.137 0.000 1.008 205 S CA -0.210 57.909 58.200 -0.136 0.000 0.939 205 S CB 0.092 63.244 63.200 -0.080 0.000 0.865 205 S HN 0.699 nan 8.310 nan 0.000 0.499 206 A N 1.126 123.812 122.820 -0.224 0.000 2.515 206 A HA 0.802 5.122 4.320 -0.000 0.000 0.298 206 A C -1.000 176.429 177.584 -0.258 0.000 1.059 206 A CA -0.772 51.137 52.037 -0.213 0.000 0.698 206 A CB 1.735 20.573 19.000 -0.271 0.000 1.289 206 A HN 0.288 nan 8.150 nan 0.000 0.404 207 K N 2.178 122.475 120.400 -0.172 0.000 2.507 207 K HA 0.585 4.905 4.320 -0.000 0.000 0.251 207 K C -1.868 174.672 176.600 -0.101 0.000 0.943 207 K CA -0.513 55.688 56.287 -0.143 0.000 0.794 207 K CB 1.514 33.975 32.500 -0.065 0.000 1.188 207 K HN 0.672 nan 8.250 nan 0.000 0.428 208 L N 5.549 126.695 121.223 -0.128 0.000 2.264 208 L HA 0.405 4.744 4.340 -0.000 0.000 0.289 208 L C -0.893 175.944 176.870 -0.054 0.000 1.044 208 L CA -0.919 53.886 54.840 -0.057 0.000 0.807 208 L CB 1.601 43.618 42.059 -0.071 0.000 1.192 208 L HN 0.496 nan 8.230 nan 0.000 0.425 209 V N 6.825 126.736 119.914 -0.006 0.000 2.334 209 V HA 0.318 4.438 4.120 -0.000 0.000 0.267 209 V C -2.007 174.070 176.094 -0.028 0.000 1.040 209 V CA -1.222 61.089 62.300 0.018 0.000 0.866 209 V CB 0.809 32.673 31.823 0.069 0.000 1.019 209 V HN 0.651 nan 8.190 nan 0.000 0.468 210 P HA 0.493 nan 4.420 nan 0.000 0.296 210 P C -0.972 176.216 177.300 -0.187 0.000 1.301 210 P CA -0.694 62.203 63.100 -0.340 0.000 0.862 210 P CB 1.702 32.754 31.700 -1.079 0.000 1.046 211 Q N 0.992 120.796 119.800 0.006 0.000 2.194 211 Q HA 0.367 4.707 4.340 -0.000 0.000 0.245 211 Q C -0.259 175.845 176.000 0.174 0.000 0.993 211 Q CA -0.927 54.959 55.803 0.139 0.000 0.930 211 Q CB 0.570 29.433 28.738 0.208 0.000 1.238 211 Q HN 0.470 nan 8.270 nan 0.000 0.486 212 F N 2.072 122.081 119.950 0.098 0.000 2.629 212 F HA -0.147 4.380 4.527 -0.000 0.000 0.377 212 F C 1.269 177.136 175.800 0.112 0.000 1.101 212 F CA 1.389 59.449 58.000 0.100 0.000 1.301 212 F CB 0.013 39.068 39.000 0.093 0.000 1.062 212 F HN 0.834 nan 8.300 nan 0.000 0.583 213 N N 2.462 120.748 118.700 -0.690 0.000 2.782 213 N HA -0.301 4.439 4.740 -0.000 0.000 0.251 213 N C -0.362 175.086 175.510 -0.103 0.000 1.101 213 N CA 0.651 53.406 53.050 -0.491 0.000 0.764 213 N CB -0.745 37.481 38.487 -0.435 0.000 1.122 213 N HN 0.838 nan 8.380 nan 0.000 0.561 214 Q N 1.181 120.989 119.800 0.012 0.000 2.256 214 Q HA 0.595 4.935 4.340 -0.000 0.000 0.257 214 Q C -0.825 175.290 176.000 0.192 0.000 0.936 214 Q CA -0.561 55.300 55.803 0.096 0.000 0.903 214 Q CB 1.314 30.108 28.738 0.092 0.000 1.263 214 Q HN 0.396 nan 8.270 nan 0.000 0.440 215 I N 2.471 123.162 120.570 0.203 0.000 2.441 215 I HA 0.701 4.871 4.170 -0.000 0.000 0.295 215 I C -1.260 175.116 176.117 0.432 0.000 0.994 215 I CA -0.539 60.945 61.300 0.307 0.000 1.144 215 I CB 1.538 39.699 38.000 0.268 0.000 1.314 215 I HN 0.783 nan 8.210 nan 0.000 0.445 216 A N 6.798 129.893 122.820 0.459 0.000 2.356 216 A HA 0.923 5.243 4.320 -0.000 0.000 0.323 216 A C -1.239 176.625 177.584 0.466 0.000 1.119 216 A CA -0.398 51.870 52.037 0.384 0.000 0.790 216 A CB 1.106 20.323 19.000 0.360 0.000 1.273 216 A HN 0.721 nan 8.150 nan 0.000 0.452 217 F N -1.281 118.858 119.950 0.315 0.000 2.719 217 F HA 0.809 5.336 4.527 -0.000 0.000 0.309 217 F C -1.323 174.610 175.800 0.221 0.000 1.138 217 F CA -1.724 56.361 58.000 0.141 0.000 0.943 217 F CB 0.933 40.079 39.000 0.244 0.000 1.304 217 F HN 0.771 nan 8.300 nan 0.000 0.445 218 F N -0.694 119.433 119.950 0.294 0.000 2.688 218 F HA 0.553 5.079 4.527 -0.000 0.000 0.308 218 F C -0.951 174.958 175.800 0.181 0.000 1.117 218 F CA -1.552 56.574 58.000 0.210 0.000 0.976 218 F CB 1.485 40.651 39.000 0.278 0.000 1.291 218 F HN 0.772 nan 8.300 nan 0.000 0.439 219 K N 2.193 122.775 120.400 0.304 0.000 2.447 219 K HA 0.350 4.669 4.320 -0.000 0.000 0.281 219 K C -0.658 176.151 176.600 0.348 0.000 1.031 219 K CA -0.306 56.106 56.287 0.209 0.000 1.019 219 K CB 0.621 33.192 32.500 0.119 0.000 0.918 219 K HN 0.665 nan 8.250 nan 0.000 0.476 220 V N 6.882 126.969 119.914 0.289 0.000 2.475 220 V HA -0.042 4.078 4.120 -0.000 0.000 0.292 220 V C 0.416 176.686 176.094 0.293 0.000 1.003 220 V CA 0.385 62.884 62.300 0.332 0.000 1.120 220 V CB -0.132 31.876 31.823 0.307 0.000 0.937 220 V HN 0.653 nan 8.190 nan 0.000 0.476 221 L N 8.739 130.070 121.223 0.180 0.000 2.337 221 L HA 0.384 4.724 4.340 -0.000 0.000 0.269 221 L C -2.053 174.845 176.870 0.047 0.000 1.018 221 L CA -1.836 53.085 54.840 0.135 0.000 0.876 221 L CB 2.098 44.200 42.059 0.071 0.000 1.236 221 L HN 0.460 nan 8.230 nan 0.000 0.436 222 P HA -0.005 nan 4.420 nan 0.000 0.261 222 P C 0.856 178.082 177.300 -0.122 0.000 1.183 222 P CA 0.945 63.984 63.100 -0.102 0.000 0.761 222 P CB 1.008 32.589 31.700 -0.198 0.000 0.785 223 G N 2.091 110.714 108.800 -0.294 0.000 2.199 223 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.254 223 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.254 223 G C 0.335 174.830 174.900 -0.675 0.000 0.982 223 G CA 0.128 44.960 45.100 -0.446 0.000 0.632 223 G HN 0.474 nan 8.290 nan 0.000 0.529 224 F N 0.544 120.299 119.950 -0.325 0.000 2.675 224 F HA 0.255 4.782 4.527 0.000 0.000 0.315 224 F C 1.936 177.341 175.800 -0.657 0.000 0.888 224 F CA 0.689 58.527 58.000 -0.270 0.000 1.100 224 F CB -0.091 38.807 39.000 -0.171 0.000 0.908 224 F HN 0.282 nan 8.300 nan 0.000 0.657 225 S N 1.293 116.540 115.700 -0.756 0.000 3.593 225 S HA 0.150 4.620 4.470 -0.000 0.000 0.224 225 S C -0.233 173.910 174.600 -0.762 0.000 1.333 225 S CA -0.222 57.195 58.200 -1.304 0.000 1.164 225 S CB -2.060 60.738 63.200 -0.670 0.000 1.281 225 S HN 0.099 nan 8.310 nan 0.000 0.457 226 F N 4.069 123.832 119.950 -0.311 0.000 2.438 226 F HA 0.367 4.894 4.527 -0.000 0.000 0.356 226 F C 1.374 177.341 175.800 0.278 0.000 1.099 226 F CA -0.157 57.814 58.000 -0.048 0.000 1.185 226 F CB 0.594 39.522 39.000 -0.121 0.000 1.115 226 F HN 0.530 nan 8.300 nan 0.000 0.526 227 H N 1.292 120.472 119.070 0.184 0.000 3.008 227 H HA 0.588 5.144 4.556 -0.000 0.000 0.354 227 H C -1.879 173.598 175.328 0.249 0.000 1.252 227 H CA -1.231 54.985 56.048 0.281 0.000 1.117 227 H CB 2.048 31.855 29.762 0.076 0.000 1.857 227 H HN 0.542 nan 8.280 nan 0.000 0.547 228 D N 0.125 120.758 120.400 0.389 0.000 2.626 228 D HA 0.373 5.013 4.640 -0.000 0.000 0.278 228 D C -1.181 175.298 176.300 0.299 0.000 1.211 228 D CA -0.734 53.449 54.000 0.305 0.000 0.903 228 D CB 2.000 42.990 40.800 0.315 0.000 1.408 228 D HN 0.317 nan 8.370 nan 0.000 0.454 229 V N 1.004 121.069 119.914 0.252 0.000 2.347 229 V HA 0.239 4.359 4.120 -0.000 0.000 0.280 229 V C 0.454 176.666 176.094 0.197 0.000 1.021 229 V CA -0.825 61.579 62.300 0.172 0.000 0.847 229 V CB 0.838 32.693 31.823 0.053 0.000 0.990 229 V HN 0.622 nan 8.190 nan 0.000 0.444 230 E N 4.505 124.820 120.200 0.193 0.000 2.414 230 E HA -0.002 4.348 4.350 -0.000 0.000 0.263 230 E C 0.284 177.069 176.600 0.308 0.000 1.000 230 E CA -0.207 56.349 56.400 0.261 0.000 0.914 230 E CB 0.689 30.531 29.700 0.237 0.000 0.948 230 E HN 0.783 nan 8.360 nan 0.000 0.444 231 E N 2.860 123.304 120.200 0.407 0.000 2.534 231 E HA -0.057 4.293 4.350 -0.000 0.000 0.264 231 E C -0.807 176.038 176.600 0.409 0.000 0.981 231 E CA -0.210 56.473 56.400 0.472 0.000 0.948 231 E CB 0.734 30.813 29.700 0.632 0.000 0.934 231 E HN 0.290 nan 8.360 nan 0.000 0.459 232 V N 6.025 126.175 119.914 0.393 0.000 2.439 232 V HA 0.006 4.126 4.120 -0.000 0.000 0.271 232 V C 0.937 177.188 176.094 0.262 0.000 1.040 232 V CA 0.467 62.971 62.300 0.341 0.000 1.002 232 V CB 0.944 32.989 31.823 0.370 0.000 1.000 232 V HN 0.704 nan 8.190 nan 0.000 0.477 233 K N 3.530 124.034 120.400 0.174 0.000 2.374 233 K HA 0.332 4.652 4.320 -0.000 0.000 0.196 233 K C -0.177 176.465 176.600 0.069 0.000 1.023 233 K CA 0.187 56.543 56.287 0.116 0.000 1.103 233 K CB 0.969 33.448 32.500 -0.035 0.000 0.848 233 K HN 0.461 nan 8.250 nan 0.000 0.528 234 V N 0.344 120.276 119.914 0.030 0.000 3.159 234 V HA 0.086 4.206 4.120 -0.000 0.000 0.308 234 V C -1.504 174.546 176.094 -0.073 0.000 1.190 234 V CA -0.925 61.342 62.300 -0.056 0.000 1.037 234 V CB 2.285 33.996 31.823 -0.186 0.000 1.060 234 V HN -0.047 nan 8.190 nan 0.000 0.437 235 D N 3.650 124.002 120.400 -0.081 0.000 2.608 235 D HA 0.262 4.902 4.640 -0.000 0.000 0.224 235 D C -0.300 175.970 176.300 -0.051 0.000 1.123 235 D CA 0.313 54.290 54.000 -0.039 0.000 1.030 235 D CB -0.191 40.607 40.800 -0.005 0.000 1.093 235 D HN 0.275 nan 8.370 nan 0.000 0.497 236 K N 1.062 121.436 120.400 -0.043 0.000 2.482 236 K HA 0.316 4.636 4.320 -0.000 0.000 0.257 236 K C -0.481 176.249 176.600 0.216 0.000 0.969 236 K CA -0.725 55.597 56.287 0.058 0.000 0.842 236 K CB 1.847 34.221 32.500 -0.211 0.000 1.359 236 K HN 0.360 nan 8.250 nan 0.000 0.441 237 H N 1.615 120.793 119.070 0.180 0.000 2.488 237 H HA 0.269 4.825 4.556 -0.000 0.000 0.322 237 H C -0.219 175.202 175.328 0.156 0.000 1.078 237 H CA -0.544 55.588 56.048 0.140 0.000 1.260 237 H CB 1.964 31.758 29.762 0.055 0.000 1.425 237 H HN 0.050 nan 8.280 nan 0.000 0.471 238 R N 3.848 124.425 120.500 0.129 0.000 2.358 238 R HA 0.142 4.482 4.340 -0.000 0.000 0.309 238 R C -1.160 175.110 176.300 -0.050 0.000 1.026 238 R CA -1.038 54.990 56.100 -0.121 0.000 0.909 238 R CB 0.740 30.732 30.300 -0.513 0.000 1.153 238 R HN 0.415 nan 8.270 nan 0.000 0.515 239 L N 3.343 124.548 121.223 -0.030 0.000 2.349 239 L HA 0.432 4.772 4.340 -0.000 0.000 0.275 239 L C -0.630 176.237 176.870 -0.005 0.000 1.115 239 L CA 0.423 55.244 54.840 -0.031 0.000 0.820 239 L CB 1.409 43.473 42.059 0.009 0.000 1.135 239 L HN 0.701 nan 8.230 nan 0.000 0.445 240 S N 4.366 120.059 115.700 -0.012 0.000 2.556 240 S HA 0.693 5.163 4.470 -0.000 0.000 0.271 240 S C -0.785 173.780 174.600 -0.057 0.000 1.135 240 S CA -0.851 57.299 58.200 -0.083 0.000 0.858 240 S CB 1.022 64.098 63.200 -0.206 0.000 1.114 240 S HN 0.520 nan 8.310 nan 0.000 0.468 241 I N 1.955 122.462 120.570 -0.105 0.000 2.355 241 I HA 0.415 4.585 4.170 -0.000 0.000 0.288 241 I C -0.036 175.955 176.117 -0.211 0.000 0.999 241 I CA -0.353 60.915 61.300 -0.053 0.000 1.163 241 I CB 1.642 39.668 38.000 0.044 0.000 1.316 241 I HN 0.716 nan 8.210 nan 0.000 0.454 242 Q N 4.589 124.212 119.800 -0.294 0.000 2.235 242 Q HA 0.789 5.129 4.340 -0.000 0.000 0.256 242 Q C -0.509 174.924 176.000 -0.945 0.000 0.951 242 Q CA -0.560 54.866 55.803 -0.630 0.000 0.890 242 Q CB 2.200 30.661 28.738 -0.461 0.000 1.279 242 Q HN 0.839 nan 8.270 nan 0.000 0.444 243 G N 1.814 109.559 108.800 -1.759 0.000 2.608 243 G HA2 0.511 4.471 3.960 -0.000 0.000 0.291 243 G HA3 0.511 4.471 3.960 -0.000 0.000 0.291 243 G C -2.128 171.781 174.900 -1.652 0.000 1.425 243 G CA -0.612 43.526 45.100 -1.602 0.000 0.787 243 G HN 0.505 nan 8.290 nan 0.000 0.484 244 W N -0.352 120.750 121.300 -0.331 0.000 3.032 244 W HA 0.492 5.152 4.660 0.000 0.000 0.335 244 W C -1.476 174.993 176.519 -0.082 0.000 1.154 244 W CA -0.931 56.301 57.345 -0.188 0.000 1.204 244 W CB 2.172 31.456 29.460 -0.294 0.000 1.416 244 W HN 0.424 nan 8.180 nan 0.000 0.521 245 Y N 1.502 121.998 120.300 0.327 0.000 2.330 245 Y HA 0.312 4.862 4.550 0.000 0.000 0.336 245 Y C 0.929 176.888 175.900 0.098 0.000 1.036 245 Y CA -0.130 58.155 58.100 0.309 0.000 1.125 245 Y CB 1.112 39.708 38.460 0.226 0.000 1.194 245 Y HN 0.151 nan 8.280 nan 0.000 0.469 246 H N 2.817 122.076 119.070 0.314 0.000 2.595 246 H HA 0.402 4.958 4.556 -0.000 0.000 0.346 246 H C -0.167 175.210 175.328 0.082 0.000 1.181 246 H CA -1.031 55.103 56.048 0.143 0.000 1.242 246 H CB 1.820 31.638 29.762 0.093 0.000 1.652 246 H HN 0.535 nan 8.280 nan 0.000 0.548 247 I N 2.830 123.457 120.570 0.095 0.000 2.919 247 I HA -0.110 4.060 4.170 -0.000 0.000 0.303 247 I C -1.974 174.215 176.117 0.119 0.000 1.221 247 I CA -1.032 60.283 61.300 0.025 0.000 1.444 247 I CB -0.171 37.790 38.000 -0.065 0.000 1.331 247 I HN 0.225 nan 8.210 nan 0.000 0.572 248 P HA -0.024 nan 4.420 nan 0.000 0.264 248 P C -0.763 176.678 177.300 0.235 0.000 1.183 248 P CA 0.108 63.309 63.100 0.168 0.000 0.763 248 P CB 0.420 32.225 31.700 0.176 0.000 0.807 249 Q N 1.152 121.018 119.800 0.109 0.000 2.169 249 Q HA 0.297 4.637 4.340 -0.000 0.000 0.234 249 Q C -0.067 175.664 176.000 -0.448 0.000 0.980 249 Q CA -1.069 54.712 55.803 -0.037 0.000 0.941 249 Q CB 0.583 29.274 28.738 -0.077 0.000 1.199 249 Q HN 0.222 nan 8.270 nan 0.000 0.496 250 V N 0.787 120.161 119.914 -0.899 0.000 2.644 250 V HA 0.195 4.315 4.120 -0.000 0.000 0.305 250 V C 1.167 176.928 176.094 -0.554 0.000 1.053 250 V CA 2.351 63.884 62.300 -1.278 0.000 1.186 250 V CB -0.259 31.145 31.823 -0.699 0.000 0.895 250 V HN 1.022 nan 8.190 nan 0.000 0.490 251 G N 3.968 112.529 108.800 -0.399 0.000 2.176 251 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.253 251 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.253 251 G C 0.058 174.923 174.900 -0.058 0.000 0.979 251 G CA 0.412 45.427 45.100 -0.142 0.000 0.641 251 G HN 0.817 nan 8.290 nan 0.000 0.530 252 E N 0.435 120.608 120.200 -0.045 0.000 2.227 252 E HA 0.439 4.789 4.350 -0.000 0.000 0.268 252 E C -0.065 176.592 176.600 0.095 0.000 0.990 252 E CA -0.822 55.598 56.400 0.032 0.000 0.856 252 E CB 1.207 30.929 29.700 0.038 0.000 1.159 252 E HN 0.355 nan 8.360 nan 0.000 0.401 253 E N 0.167 120.414 120.200 0.079 0.000 2.529 253 E HA -0.003 4.347 4.350 -0.000 0.000 0.259 253 E C 0.605 177.262 176.600 0.094 0.000 0.966 253 E CA 0.953 57.400 56.400 0.078 0.000 0.937 253 E CB 0.370 30.104 29.700 0.057 0.000 0.923 253 E HN 0.844 nan 8.360 nan 0.000 0.468 254 G N 3.525 112.376 108.800 0.085 0.000 2.179 254 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.260 254 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.260 254 G C -0.038 174.915 174.900 0.087 0.000 0.977 254 G CA 0.366 45.506 45.100 0.066 0.000 0.641 254 G HN 0.682 nan 8.290 nan 0.000 0.533 255 Y N 0.893 121.201 120.300 0.014 0.000 2.650 255 Y HA 0.502 5.052 4.550 -0.000 0.000 0.331 255 Y C 0.511 176.419 175.900 0.014 0.000 1.165 255 Y CA -0.091 58.017 58.100 0.015 0.000 1.473 255 Y CB 0.217 38.687 38.460 0.016 0.000 1.224 255 Y HN 0.179 nan 8.280 nan 0.000 0.533 256 I N 9.749 129.918 120.570 -0.668 0.000 2.410 256 I HA 0.297 4.467 4.170 -0.000 0.000 0.286 256 I C -2.317 173.314 176.117 -0.811 0.000 1.009 256 I CA -2.420 58.536 61.300 -0.574 0.000 1.111 256 I CB 1.649 39.503 38.000 -0.242 0.000 1.262 256 I HN 0.551 nan 8.210 nan 0.000 0.443 257 P HA 0.128 nan 4.420 nan 0.000 0.268 257 P C 0.895 178.093 177.300 -0.170 0.000 1.204 257 P CA 0.603 63.471 63.100 -0.387 0.000 0.768 257 P CB 0.748 32.369 31.700 -0.132 0.000 0.842 258 G N 2.214 110.976 108.800 -0.063 0.000 2.253 258 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.251 258 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.251 258 G C 1.194 176.101 174.900 0.011 0.000 0.998 258 G CA 0.449 45.544 45.100 -0.008 0.000 0.621 258 G HN 0.557 nan 8.290 nan 0.000 0.524 259 E N 0.598 120.781 120.200 -0.027 0.000 2.051 259 E HA -0.161 4.189 4.350 -0.000 0.000 0.192 259 E C 2.080 178.741 176.600 0.102 0.000 0.991 259 E CA 1.577 57.990 56.400 0.021 0.000 0.799 259 E CB -0.194 29.484 29.700 -0.036 0.000 0.748 259 E HN 0.677 nan 8.360 nan 0.000 0.449 260 E N 0.072 120.329 120.200 0.096 0.000 2.085 260 E HA -0.247 4.103 4.350 -0.000 0.000 0.194 260 E C 1.843 178.557 176.600 0.190 0.000 0.994 260 E CA 1.692 58.180 56.400 0.146 0.000 0.801 260 E CB 0.088 29.866 29.700 0.130 0.000 0.743 260 E HN 0.224 nan 8.360 nan 0.000 0.453 261 E N 0.374 120.654 120.200 0.134 0.000 2.106 261 E HA -0.111 4.239 4.350 -0.000 0.000 0.192 261 E C 1.841 178.508 176.600 0.111 0.000 0.984 261 E CA 1.139 57.605 56.400 0.110 0.000 0.806 261 E CB -0.275 29.471 29.700 0.076 0.000 0.750 261 E HN 0.396 nan 8.360 nan 0.000 0.458 262 A N 1.272 124.161 122.820 0.115 0.000 1.877 262 A HA -0.204 4.116 4.320 -0.000 0.000 0.216 262 A C 2.022 179.690 177.584 0.140 0.000 1.186 262 A CA 1.365 53.464 52.037 0.104 0.000 0.620 262 A CB -1.115 17.944 19.000 0.097 0.000 0.822 262 A HN 0.560 nan 8.150 nan 0.000 0.443 263 W N 0.844 122.154 121.300 0.016 0.000 2.333 263 W HA -0.199 4.461 4.660 -0.000 0.000 0.316 263 W C 1.886 178.416 176.519 0.018 0.000 1.215 263 W CA 2.420 59.777 57.345 0.020 0.000 1.278 263 W CB -0.481 28.997 29.460 0.030 0.000 1.154 263 W HN 0.209 nan 8.180 nan 0.000 0.486 264 V N 2.227 122.262 119.914 0.201 0.000 2.295 264 V HA -0.332 3.788 4.120 -0.000 0.000 0.246 264 V C 2.685 178.764 176.094 -0.024 0.000 1.049 264 V CA 2.772 65.124 62.300 0.087 0.000 1.024 264 V CB -1.012 30.893 31.823 0.137 0.000 0.648 264 V HN 0.288 nan 8.190 nan 0.000 0.447 265 R N 0.648 121.145 120.500 -0.005 0.000 2.115 265 R HA -0.080 4.260 4.340 -0.000 0.000 0.226 265 R C 1.610 177.869 176.300 -0.068 0.000 1.100 265 R CA 1.787 57.872 56.100 -0.025 0.000 0.980 265 R CB -0.569 29.730 30.300 -0.002 0.000 0.875 265 R HN 0.410 nan 8.270 nan 0.000 0.445 266 N N 0.752 119.389 118.700 -0.105 0.000 2.521 266 N HA -0.033 4.707 4.740 -0.000 0.000 0.188 266 N C -0.176 175.197 175.510 -0.228 0.000 1.146 266 N CA 0.471 53.432 53.050 -0.148 0.000 0.893 266 N CB 0.118 38.517 38.487 -0.145 0.000 0.975 266 N HN 0.330 nan 8.380 nan 0.000 0.451 267 N N -0.287 118.266 118.700 -0.245 0.000 2.338 267 N HA 0.135 4.875 4.740 -0.000 0.000 0.251 267 N C -0.501 174.929 175.510 -0.132 0.000 1.199 267 N CA 0.125 53.028 53.050 -0.245 0.000 0.879 267 N CB 0.954 39.230 38.487 -0.352 0.000 1.159 267 N HN 0.023 nan 8.380 nan 0.000 0.514 278 V N -0.139 119.778 119.914 0.003 0.000 2.626 278 V HA -0.064 4.056 4.120 -0.000 0.000 0.252 278 V C 2.357 178.484 176.094 0.055 0.000 1.067 278 V CA 0.965 63.274 62.300 0.015 0.000 1.081 278 V CB -0.788 31.075 31.823 0.066 0.000 0.686 278 V HN 0.475 nan 8.190 nan 0.000 0.468 279 L N 1.433 122.718 121.223 0.103 0.000 2.201 279 L HA -0.114 4.225 4.340 -0.000 0.000 0.212 279 L C 2.713 179.647 176.870 0.106 0.000 1.105 279 L CA 1.921 56.889 54.840 0.213 0.000 0.775 279 L CB -1.104 41.034 42.059 0.132 0.000 0.913 279 L HN 0.658 nan 8.230 nan 0.000 0.440 280 E N -1.431 118.744 120.200 -0.041 0.000 2.401 280 E HA -0.234 4.116 4.350 -0.000 0.000 0.199 280 E C 0.970 177.412 176.600 -0.263 0.000 1.023 280 E CA 1.081 57.402 56.400 -0.132 0.000 0.859 280 E CB -0.305 29.317 29.700 -0.130 0.000 0.780 280 E HN 0.396 nan 8.360 nan 0.000 0.523 281 D N 0.577 120.761 120.400 -0.360 0.000 2.218 281 D HA -0.119 4.521 4.640 -0.000 0.000 0.204 281 D C 0.831 176.687 176.300 -0.740 0.000 0.976 281 D CA 0.885 54.517 54.000 -0.614 0.000 0.853 281 D CB -0.181 40.130 40.800 -0.815 0.000 0.939 281 D HN 0.341 nan 8.370 nan 0.000 0.481 282 F N 0.715 120.541 119.950 -0.207 0.000 2.693 282 F HA 0.219 4.746 4.527 -0.000 0.000 0.303 282 F C 1.003 176.696 175.800 -0.179 0.000 1.097 282 F CA -0.166 57.741 58.000 -0.156 0.000 1.330 282 F CB 0.055 38.991 39.000 -0.106 0.000 1.067 282 F HN -0.301 nan 8.300 nan 0.000 0.565 283 E N 0.576 120.637 120.200 -0.230 0.000 2.283 283 E HA 0.402 4.752 4.350 -0.000 0.000 0.278 283 E C -1.200 175.041 176.600 -0.600 0.000 1.027 283 E CA -0.185 56.052 56.400 -0.270 0.000 0.843 283 E CB 1.033 30.581 29.700 -0.254 0.000 1.062 283 E HN 0.007 nan 8.360 nan 0.000 0.401 284 F N 3.194 123.052 119.950 -0.153 0.000 2.596 284 F HA 0.298 4.825 4.527 0.000 0.000 0.311 284 F C -2.191 173.473 175.800 -0.227 0.000 1.116 284 F CA -1.977 55.957 58.000 -0.109 0.000 0.957 284 F CB 2.008 41.044 39.000 0.059 0.000 1.250 284 F HN 0.284 nan 8.300 nan 0.000 0.444 285 P HA 0.165 nan 4.420 nan 0.000 0.276 285 P C -0.996 176.177 177.300 -0.213 0.000 1.244 285 P CA -0.642 62.358 63.100 -0.166 0.000 0.801 285 P CB 0.918 32.321 31.700 -0.495 0.000 1.006 286 K N 1.112 121.393 120.400 -0.198 0.000 2.326 286 K HA 0.092 4.412 4.320 -0.000 0.000 0.275 286 K C 0.216 176.720 176.600 -0.160 0.000 1.018 286 K CA 0.021 56.173 56.287 -0.225 0.000 0.962 286 K CB -0.141 32.236 32.500 -0.205 0.000 0.953 286 K HN 0.404 nan 8.250 nan 0.000 0.475 287 D N 2.835 123.141 120.400 -0.157 0.000 2.608 287 D HA 0.035 4.675 4.640 -0.000 0.000 0.224 287 D C -0.715 175.520 176.300 -0.108 0.000 1.123 287 D CA 0.219 54.140 54.000 -0.131 0.000 1.030 287 D CB -0.197 40.521 40.800 -0.135 0.000 1.093 287 D HN 0.311 nan 8.370 nan 0.000 0.497 288 E N 1.096 121.242 120.200 -0.091 0.000 2.256 288 E HA 0.434 4.784 4.350 -0.000 0.000 0.268 288 E C -0.413 176.160 176.600 -0.046 0.000 0.877 288 E CA -0.795 55.567 56.400 -0.063 0.000 0.757 288 E CB 1.894 31.558 29.700 -0.060 0.000 1.183 288 E HN 0.117 nan 8.360 nan 0.000 0.418 289 R N 1.976 122.462 120.500 -0.024 0.000 2.637 289 R HA 0.426 4.766 4.340 -0.000 0.000 0.291 289 R C -0.734 175.576 176.300 0.017 0.000 0.963 289 R CA -0.784 55.311 56.100 -0.007 0.000 0.901 289 R CB 1.477 31.779 30.300 0.003 0.000 1.160 289 R HN 0.437 nan 8.270 nan 0.000 0.457 290 N N 1.849 120.567 118.700 0.030 0.000 2.473 290 N HA 0.278 5.018 4.740 -0.000 0.000 0.291 290 N C -0.059 175.485 175.510 0.058 0.000 1.083 290 N CA -0.666 52.407 53.050 0.037 0.000 0.951 290 N CB 1.160 39.668 38.487 0.035 0.000 1.164 290 N HN 0.446 nan 8.380 nan 0.000 0.480 291 I N -0.559 120.037 120.570 0.044 0.000 2.696 291 I HA 0.227 4.397 4.170 -0.000 0.000 0.284 291 I C -0.402 175.738 176.117 0.038 0.000 1.129 291 I CA -0.571 60.760 61.300 0.051 0.000 1.410 291 I CB 0.415 38.434 38.000 0.032 0.000 1.399 291 I HN 0.235 nan 8.210 nan 0.000 0.579 292 L N 4.426 125.688 121.223 0.065 0.000 2.456 292 L HA 0.340 4.680 4.340 -0.000 0.000 0.257 292 L C 0.985 177.814 176.870 -0.068 0.000 1.162 292 L CA -0.655 54.219 54.840 0.057 0.000 0.808 292 L CB 1.091 43.250 42.059 0.166 0.000 1.136 292 L HN 0.892 nan 8.230 nan 0.000 0.466 293 S N -0.250 115.388 115.700 -0.104 0.000 2.589 293 S HA 0.150 4.620 4.470 -0.000 0.000 0.265 293 S C 0.902 175.370 174.600 -0.219 0.000 1.342 293 S CA -0.413 57.620 58.200 -0.277 0.000 1.005 293 S CB 0.204 63.322 63.200 -0.138 0.000 0.909 293 S HN 0.430 nan 8.310 nan 0.000 0.555 294 F N 0.059 120.030 119.950 0.036 0.000 2.126 294 F HA -0.081 4.446 4.527 -0.000 0.000 0.299 294 F C 2.684 178.467 175.800 -0.029 0.000 1.096 294 F CA 1.813 59.815 58.000 0.003 0.000 1.255 294 F CB -1.060 37.945 39.000 0.008 0.000 0.997 294 F HN 0.812 nan 8.300 nan 0.000 0.479 295 H N 0.451 119.580 119.070 0.099 0.000 2.319 295 H HA -0.176 4.380 4.556 0.000 0.000 0.297 295 H C 2.001 177.280 175.328 -0.082 0.000 1.097 295 H CA 2.393 58.453 56.048 0.019 0.000 1.285 295 H CB -0.261 29.517 29.762 0.026 0.000 1.368 295 H HN 0.338 nan 8.280 nan 0.000 0.495 296 E N -0.357 119.725 120.200 -0.197 0.000 2.031 296 E HA -0.180 4.170 4.350 -0.000 0.000 0.193 296 E C 2.557 178.535 176.600 -1.038 0.000 0.994 296 E CA 1.870 57.948 56.400 -0.537 0.000 0.800 296 E CB -0.131 29.470 29.700 -0.165 0.000 0.752 296 E HN 0.529 nan 8.360 nan 0.000 0.447 297 V N 1.007 120.657 119.914 -0.440 0.000 2.343 297 V HA -0.286 3.834 4.120 -0.000 0.000 0.247 297 V C 2.244 178.189 176.094 -0.248 0.000 1.051 297 V CA 2.222 64.387 62.300 -0.226 0.000 1.036 297 V CB -0.822 31.037 31.823 0.060 0.000 0.654 297 V HN 0.256 nan 8.190 nan 0.000 0.451 298 K N -0.342 119.921 120.400 -0.229 0.000 2.148 298 K HA -0.232 4.088 4.320 -0.000 0.000 0.204 298 K C 2.035 178.471 176.600 -0.273 0.000 1.050 298 K CA 2.026 58.197 56.287 -0.194 0.000 0.942 298 K CB -0.793 31.612 32.500 -0.158 0.000 0.724 298 K HN 0.599 nan 8.250 nan 0.000 0.446 299 H N -0.214 118.565 119.070 -0.484 0.000 2.387 299 H HA -0.037 4.519 4.556 -0.000 0.000 0.299 299 H C 1.485 176.668 175.328 -0.242 0.000 1.090 299 H CA 2.341 58.125 56.048 -0.440 0.000 1.332 299 H CB -0.045 29.339 29.762 -0.630 0.000 1.386 299 H HN 0.244 nan 8.280 nan 0.000 0.516 300 F N 0.121 120.071 119.950 0.002 0.000 2.128 300 F HA -0.076 4.451 4.527 0.000 0.000 0.295 300 F C 2.430 178.202 175.800 -0.047 0.000 1.100 300 F CA 0.467 58.438 58.000 -0.047 0.000 1.260 300 F CB -0.144 38.813 39.000 -0.072 0.000 1.009 300 F HN 0.130 nan 8.300 nan 0.000 0.476 301 E N 0.913 121.178 120.200 0.108 0.000 2.038 301 E HA -0.274 4.076 4.350 -0.000 0.000 0.195 301 E C 2.121 178.726 176.600 0.008 0.000 1.000 301 E CA 1.431 57.857 56.400 0.042 0.000 0.803 301 E CB -0.214 29.492 29.700 0.009 0.000 0.750 301 E HN 0.269 nan 8.360 nan 0.000 0.448 302 K N 0.644 121.027 120.400 -0.029 0.000 2.063 302 K HA -0.192 4.128 4.320 -0.000 0.000 0.208 302 K C 2.208 178.802 176.600 -0.011 0.000 1.048 302 K CA 1.460 57.721 56.287 -0.043 0.000 0.928 302 K CB -0.123 32.316 32.500 -0.101 0.000 0.713 302 K HN 0.131 nan 8.250 nan 0.000 0.442 303 M N 0.459 120.069 119.600 0.017 0.000 2.229 303 M HA -0.101 4.379 4.480 -0.000 0.000 0.264 303 M C 0.893 177.202 176.300 0.014 0.000 1.063 303 M CA 1.395 56.711 55.300 0.026 0.000 1.114 303 M CB 0.263 32.894 32.600 0.051 0.000 1.387 303 M HN 0.135 nan 8.290 nan 0.000 0.420 304 L N 0.614 121.846 121.223 0.016 0.000 2.872 304 L HA 0.205 4.545 4.340 -0.000 0.000 0.245 304 L C 0.468 177.340 176.870 0.004 0.000 1.211 304 L CA -0.474 54.369 54.840 0.005 0.000 1.013 304 L CB -0.239 41.819 42.059 -0.001 0.000 1.326 304 L HN 0.164 nan 8.230 nan 0.000 0.525 329 K N 1.176 121.600 120.400 0.040 0.000 2.565 329 K HA 0.695 5.014 4.320 -0.000 0.000 0.249 329 K C -1.892 174.732 176.600 0.040 0.000 0.958 329 K CA -0.257 56.069 56.287 0.064 0.000 0.806 329 K CB 1.555 34.090 32.500 0.058 0.000 1.194 329 K HN 0.118 nan 8.250 nan 0.000 0.434 330 L N 3.010 124.263 121.223 0.049 0.000 2.329 330 L HA 0.546 4.886 4.340 -0.000 0.000 0.279 330 L C -0.033 176.873 176.870 0.061 0.000 1.014 330 L CA -0.110 54.674 54.840 -0.093 0.000 0.814 330 L CB 1.777 43.512 42.059 -0.540 0.000 1.257 330 L HN 0.865 nan 8.230 nan 0.000 0.424 331 S N 1.353 117.073 115.700 0.034 0.000 2.600 331 S HA 0.211 4.681 4.470 -0.000 0.000 0.265 331 S C 0.876 175.605 174.600 0.215 0.000 1.325 331 S CA -0.351 57.919 58.200 0.117 0.000 1.002 331 S CB 0.639 63.882 63.200 0.070 0.000 0.921 331 S HN 0.678 nan 8.310 nan 0.000 0.554 332 E N 0.787 121.117 120.200 0.217 0.000 2.150 332 E HA -0.097 4.253 4.350 -0.000 0.000 0.193 332 E C 2.299 179.014 176.600 0.190 0.000 0.985 332 E CA 1.045 57.589 56.400 0.241 0.000 0.814 332 E CB -0.431 29.352 29.700 0.139 0.000 0.752 332 E HN 0.809 nan 8.360 nan 0.000 0.466 333 A N 1.306 124.201 122.820 0.125 0.000 1.933 333 A HA -0.246 4.074 4.320 -0.000 0.000 0.218 333 A C 1.873 179.526 177.584 0.114 0.000 1.175 333 A CA 1.468 53.567 52.037 0.104 0.000 0.628 333 A CB -0.321 18.721 19.000 0.069 0.000 0.814 333 A HN 0.174 nan 8.150 nan 0.000 0.444 334 E N -1.259 118.980 120.200 0.065 0.000 2.072 334 E HA -0.114 4.236 4.350 -0.000 0.000 0.190 334 E C 1.619 178.224 176.600 0.009 0.000 0.982 334 E CA 1.062 57.458 56.400 -0.007 0.000 0.803 334 E CB -0.263 29.351 29.700 -0.143 0.000 0.755 334 E HN 0.658 nan 8.360 nan 0.000 0.453 335 F N 1.059 121.057 119.950 0.081 0.000 2.216 335 F HA -0.184 4.343 4.527 -0.000 0.000 0.300 335 F C 2.536 178.366 175.800 0.049 0.000 1.085 335 F CA 1.263 59.296 58.000 0.055 0.000 1.326 335 F CB -0.586 38.435 39.000 0.035 0.000 1.027 335 F HN -0.021 nan 8.300 nan 0.000 0.497 336 T N -1.309 113.386 114.554 0.236 0.000 2.777 336 T HA -0.253 4.097 4.350 -0.000 0.000 0.266 336 T C 1.706 176.488 174.700 0.137 0.000 1.040 336 T CA 1.426 63.614 62.100 0.148 0.000 1.141 336 T CB -0.668 68.273 68.868 0.121 0.000 0.868 336 T HN 0.345 nan 8.240 nan 0.000 0.444 337 Y N 1.660 122.004 120.300 0.074 0.000 2.181 337 Y HA -0.020 4.530 4.550 -0.000 0.000 0.288 337 Y C 1.948 177.957 175.900 0.183 0.000 1.146 337 Y CA 1.074 59.236 58.100 0.103 0.000 1.164 337 Y CB -0.418 38.088 38.460 0.076 0.000 0.982 337 Y HN 0.108 nan 8.280 nan 0.000 0.515 338 L N -0.267 121.089 121.223 0.221 0.000 2.141 338 L HA -0.183 4.156 4.340 -0.000 0.000 0.209 338 L C 2.511 179.364 176.870 -0.029 0.000 1.094 338 L CA 1.468 56.420 54.840 0.186 0.000 0.763 338 L CB -0.711 41.373 42.059 0.043 0.000 0.908 338 L HN 0.330 nan 8.230 nan 0.000 0.437 339 S N -1.418 114.259 115.700 -0.038 0.000 2.561 339 S HA -0.119 4.351 4.470 -0.000 0.000 0.225 339 S C 1.719 176.195 174.600 -0.207 0.000 0.977 339 S CA 0.256 58.391 58.200 -0.108 0.000 0.926 339 S CB -0.164 63.011 63.200 -0.042 0.000 0.769 339 S HN 0.453 nan 8.310 nan 0.000 0.533 340 Q N -0.568 119.077 119.800 -0.258 0.000 2.181 340 Q HA -0.097 4.243 4.340 -0.000 0.000 0.205 340 Q C 1.050 176.684 176.000 -0.611 0.000 0.980 340 Q CA 1.724 57.301 55.803 -0.377 0.000 0.862 340 Q CB -0.147 28.369 28.738 -0.371 0.000 0.905 340 Q HN 0.790 nan 8.270 nan 0.000 0.429 341 Y N -1.167 118.709 120.300 -0.707 0.000 2.701 341 Y HA 0.236 4.786 4.550 -0.000 0.000 0.275 341 Y C 0.777 176.285 175.900 -0.654 0.000 1.133 341 Y CA -0.360 57.234 58.100 -0.844 0.000 1.241 341 Y CB 0.970 38.419 38.460 -1.686 0.000 1.389 341 Y HN -0.121 nan 8.280 nan 0.000 0.486 342 I N -0.005 120.283 120.570 -0.471 0.000 2.532 342 I HA 0.095 4.265 4.170 -0.000 0.000 0.292 342 I C 0.610 176.545 176.117 -0.303 0.000 1.014 342 I CA -0.435 60.567 61.300 -0.497 0.000 1.340 342 I CB 1.221 38.904 38.000 -0.528 0.000 1.422 342 I HN -0.065 nan 8.210 nan 0.000 0.528 343 S N 5.931 121.492 115.700 -0.232 0.000 2.549 343 S HA 0.134 4.604 4.470 -0.000 0.000 0.283 343 S C -1.252 173.256 174.600 -0.154 0.000 1.320 343 S CA -1.219 56.897 58.200 -0.140 0.000 1.058 343 S CB 0.752 63.910 63.200 -0.070 0.000 0.882 343 S HN 0.404 nan 8.310 nan 0.000 0.498 344 P HA -0.141 nan 4.420 nan 0.000 0.219 344 P C 1.206 178.421 177.300 -0.143 0.000 1.146 344 P CA 0.875 63.905 63.100 -0.116 0.000 0.808 344 P CB 0.047 31.687 31.700 -0.100 0.000 0.779 345 E N -0.230 119.819 120.200 -0.251 0.000 2.130 345 E HA -0.232 4.118 4.350 -0.000 0.000 0.196 345 E C 1.256 177.687 176.600 -0.282 0.000 0.998 345 E CA 1.114 57.316 56.400 -0.330 0.000 0.806 345 E CB -0.209 29.185 29.700 -0.510 0.000 0.738 345 E HN 0.408 nan 8.360 nan 0.000 0.459 346 H N -1.016 118.097 119.070 0.071 0.000 2.551 346 H HA 0.143 4.699 4.556 -0.000 0.000 0.271 346 H C 1.383 176.845 175.328 0.224 0.000 0.984 346 H CA 0.273 56.421 56.048 0.167 0.000 1.164 346 H CB 0.480 30.373 29.762 0.219 0.000 1.437 346 H HN 0.242 nan 8.280 nan 0.000 0.550 347 L N 0.656 121.984 121.223 0.175 0.000 2.731 347 L HA 0.107 4.447 4.340 -0.000 0.000 0.240 347 L C 0.978 177.896 176.870 0.080 0.000 1.120 347 L CA -0.082 54.893 54.840 0.224 0.000 0.913 347 L CB 0.419 42.571 42.059 0.155 0.000 1.213 347 L HN 0.030 nan 8.230 nan 0.000 0.515 348 S N -0.735 114.974 115.700 0.015 0.000 2.603 348 S HA 0.086 4.556 4.470 -0.000 0.000 0.268 348 S C 1.403 176.001 174.600 -0.004 0.000 1.317 348 S CA -0.029 58.138 58.200 -0.056 0.000 1.012 348 S CB 1.493 64.665 63.200 -0.046 0.000 0.926 348 S HN 0.259 nan 8.310 nan 0.000 0.539 349 S N 1.635 117.310 115.700 -0.041 0.000 2.383 349 S HA -0.063 4.407 4.470 -0.000 0.000 0.227 349 S C 1.537 176.156 174.600 0.031 0.000 1.026 349 S CA 0.465 58.667 58.200 0.002 0.000 0.981 349 S CB -0.404 62.782 63.200 -0.022 0.000 0.818 349 S HN 0.691 nan 8.310 nan 0.000 0.472 350 K N 1.354 121.766 120.400 0.021 0.000 2.186 350 K HA 0.187 4.507 4.320 -0.000 0.000 0.202 350 K C 2.407 179.039 176.600 0.054 0.000 1.052 350 K CA 0.983 57.289 56.287 0.032 0.000 0.965 350 K CB -1.097 31.414 32.500 0.018 0.000 0.746 350 K HN 0.480 nan 8.250 nan 0.000 0.457 351 G N 1.821 110.657 108.800 0.060 0.000 2.446 351 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.217 351 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.217 351 G C 1.676 176.664 174.900 0.147 0.000 1.168 351 G CA 0.700 45.862 45.100 0.103 0.000 0.771 351 G HN 0.187 nan 8.290 nan 0.000 0.551 352 I N 0.249 120.907 120.570 0.147 0.000 2.226 352 I HA -0.120 4.050 4.170 -0.000 0.000 0.245 352 I C 2.674 178.842 176.117 0.085 0.000 1.100 352 I CA 1.302 62.688 61.300 0.143 0.000 1.374 352 I CB -0.147 37.958 38.000 0.174 0.000 1.057 352 I HN 0.276 nan 8.210 nan 0.000 0.413 353 E N 1.025 121.269 120.200 0.074 0.000 2.110 353 E HA -0.298 4.052 4.350 -0.000 0.000 0.193 353 E C 2.183 178.818 176.600 0.058 0.000 0.988 353 E CA 1.266 57.699 56.400 0.055 0.000 0.804 353 E CB 0.085 29.812 29.700 0.045 0.000 0.745 353 E HN 0.309 nan 8.360 nan 0.000 0.458 354 K N 0.419 120.862 120.400 0.071 0.000 2.026 354 K HA -0.148 4.172 4.320 -0.000 0.000 0.208 354 K C 2.208 178.860 176.600 0.087 0.000 1.048 354 K CA 1.164 57.497 56.287 0.076 0.000 0.929 354 K CB -0.103 32.449 32.500 0.086 0.000 0.713 354 K HN 0.113 nan 8.250 nan 0.000 0.439 355 L N 0.807 122.092 121.223 0.103 0.000 2.012 355 L HA -0.246 4.094 4.340 -0.000 0.000 0.210 355 L C 2.726 179.647 176.870 0.085 0.000 1.073 355 L CA 1.553 56.453 54.840 0.100 0.000 0.748 355 L CB -0.529 41.589 42.059 0.098 0.000 0.891 355 L HN 0.341 nan 8.230 nan 0.000 0.431 356 Q N 0.141 119.973 119.800 0.052 0.000 2.096 356 Q HA -0.275 4.065 4.340 -0.000 0.000 0.204 356 Q C 2.238 178.297 176.000 0.098 0.000 0.982 356 Q CA 2.181 58.015 55.803 0.052 0.000 0.850 356 Q CB -0.104 28.646 28.738 0.020 0.000 0.901 356 Q HN 0.496 nan 8.270 nan 0.000 0.422 357 K N 0.204 120.649 120.400 0.075 0.000 2.186 357 K HA -0.112 4.208 4.320 -0.000 0.000 0.202 357 K C 1.828 178.464 176.600 0.059 0.000 1.052 357 K CA 0.969 57.291 56.287 0.060 0.000 0.965 357 K CB 0.038 32.563 32.500 0.041 0.000 0.746 357 K HN 0.118 nan 8.250 nan 0.000 0.457 358 Q N -0.203 119.642 119.800 0.076 0.000 2.135 358 Q HA -0.163 4.177 4.340 -0.000 0.000 0.204 358 Q C 1.877 177.919 176.000 0.070 0.000 0.981 358 Q CA 1.712 57.554 55.803 0.065 0.000 0.856 358 Q CB -0.189 28.597 28.738 0.081 0.000 0.902 358 Q HN 0.359 nan 8.270 nan 0.000 0.425 359 F N 0.198 120.132 119.950 -0.027 0.000 2.206 359 F HA -0.154 4.374 4.527 0.001 0.000 0.298 359 F C 1.947 177.723 175.800 -0.041 0.000 1.090 359 F CA 0.745 58.720 58.000 -0.043 0.000 1.323 359 F CB 0.005 38.971 39.000 -0.057 0.000 1.028 359 F HN -0.201 nan 8.300 nan 0.000 0.492 360 V N 0.303 120.225 119.914 0.014 0.000 2.343 360 V HA -0.282 3.838 4.120 -0.000 0.000 0.247 360 V C 2.157 178.173 176.094 -0.131 0.000 1.051 360 V CA 2.313 64.576 62.300 -0.062 0.000 1.036 360 V CB -0.591 31.239 31.823 0.011 0.000 0.654 360 V HN 0.345 nan 8.190 nan 0.000 0.451 361 E N 0.141 120.284 120.200 -0.095 0.000 2.051 361 E HA -0.116 4.234 4.350 -0.000 0.000 0.189 361 E C 1.745 178.267 176.600 -0.130 0.000 0.979 361 E CA 1.224 57.571 56.400 -0.088 0.000 0.803 361 E CB -0.115 29.558 29.700 -0.046 0.000 0.761 361 E HN 0.552 nan 8.360 nan 0.000 0.451 362 N N -0.192 118.410 118.700 -0.163 0.000 2.282 362 N HA 0.047 4.787 4.740 -0.000 0.000 0.185 362 N C -0.158 175.186 175.510 -0.277 0.000 1.099 362 N CA 0.250 53.198 53.050 -0.170 0.000 0.878 362 N CB 0.986 39.408 38.487 -0.109 0.000 0.993 362 N HN -0.147 nan 8.380 nan 0.000 0.481 363 S N 0.184 115.581 115.700 -0.504 0.000 3.581 363 S HA -0.147 4.323 4.470 -0.000 0.000 0.354 363 S C -0.163 174.116 174.600 -0.535 0.000 1.059 363 S CA 0.863 58.571 58.200 -0.820 0.000 1.060 363 S CB -1.599 61.309 63.200 -0.487 0.000 0.908 363 S HN 0.691 nan 8.310 nan 0.000 0.475 364 S N -0.890 114.628 115.700 -0.304 0.000 2.578 364 S HA 0.798 5.268 4.470 -0.000 0.000 0.272 364 S C -1.252 173.408 174.600 0.100 0.000 1.145 364 S CA -1.204 56.978 58.200 -0.030 0.000 0.835 364 S CB 1.593 64.704 63.200 -0.148 0.000 1.104 364 S HN 0.290 nan 8.310 nan 0.000 0.458 365 L N 0.877 122.149 121.223 0.082 0.000 2.401 365 L HA 0.603 4.943 4.340 -0.000 0.000 0.266 365 L C -0.852 176.004 176.870 -0.023 0.000 0.991 365 L CA -0.544 54.335 54.840 0.065 0.000 0.818 365 L CB 2.386 44.515 42.059 0.116 0.000 1.321 365 L HN 0.782 nan 8.230 nan 0.000 0.413 366 Q N 4.002 123.801 119.800 -0.000 0.000 2.464 366 Q HA 0.522 4.862 4.340 -0.000 0.000 0.256 366 Q C -1.163 174.858 176.000 0.036 0.000 1.020 366 Q CA -0.238 55.555 55.803 -0.017 0.000 0.716 366 Q CB 2.294 31.019 28.738 -0.021 0.000 1.230 366 Q HN 0.493 nan 8.270 nan 0.000 0.494 367 I N 1.690 122.291 120.570 0.051 0.000 2.353 367 I HA 0.243 4.413 4.170 -0.000 0.000 0.293 367 I C 0.344 176.531 176.117 0.117 0.000 0.992 367 I CA -0.431 60.918 61.300 0.083 0.000 1.268 367 I CB 1.284 39.318 38.000 0.056 0.000 1.387 367 I HN 0.398 nan 8.210 nan 0.000 0.478 368 E N 3.282 123.580 120.200 0.164 0.000 2.250 368 E HA 0.311 4.661 4.350 -0.000 0.000 0.269 368 E C -0.108 176.665 176.600 0.289 0.000 1.018 368 E CA -0.712 55.802 56.400 0.190 0.000 0.873 368 E CB 1.253 31.051 29.700 0.162 0.000 1.134 368 E HN 0.527 nan 8.360 nan 0.000 0.403 369 S N 1.095 116.944 115.700 0.249 0.000 3.336 369 S HA -0.224 4.246 4.470 -0.000 0.000 0.362 369 S C 0.185 175.016 174.600 0.384 0.000 0.941 369 S CA 0.150 58.509 58.200 0.265 0.000 1.297 369 S CB -1.010 62.320 63.200 0.217 0.000 0.915 369 S HN 0.557 nan 8.310 nan 0.000 0.527 370 F N 1.521 121.557 119.950 0.143 0.000 2.098 370 F HA 0.200 4.727 4.527 0.000 0.000 0.294 370 F C 0.964 176.843 175.800 0.132 0.000 1.107 370 F CA 1.170 59.227 58.000 0.096 0.000 1.234 370 F CB 0.033 39.046 39.000 0.022 0.000 1.002 370 F HN 0.389 nan 8.300 nan 0.000 0.472 371 L N 1.773 122.984 121.223 -0.020 0.000 2.418 371 L HA 0.137 4.477 4.340 -0.000 0.000 0.265 371 L C 0.560 177.373 176.870 -0.095 0.000 1.143 371 L CA -0.482 54.266 54.840 -0.153 0.000 0.809 371 L CB 0.404 42.451 42.059 -0.020 0.000 1.124 371 L HN 0.303 nan 8.230 nan 0.000 0.456 372 N N 0.378 118.979 118.700 -0.164 0.000 2.297 372 N HA -0.054 4.685 4.740 -0.000 0.000 0.232 372 N C -0.263 175.207 175.510 -0.068 0.000 1.311 372 N CA -0.740 52.235 53.050 -0.125 0.000 0.897 372 N CB 0.866 39.246 38.487 -0.179 0.000 1.137 372 N HN 0.524 nan 8.380 nan 0.000 0.449 373 D N 0.080 120.452 120.400 -0.048 0.000 2.144 373 D HA -0.188 4.452 4.640 -0.000 0.000 0.199 373 D C 1.276 177.560 176.300 -0.027 0.000 0.984 373 D CA 1.402 55.396 54.000 -0.011 0.000 0.834 373 D CB -0.529 40.261 40.800 -0.017 0.000 0.955 373 D HN 0.707 nan 8.370 nan 0.000 0.465 374 D N 0.163 120.514 120.400 -0.081 0.000 2.084 374 D HA -0.148 4.492 4.640 -0.000 0.000 0.194 374 D C 1.754 177.987 176.300 -0.111 0.000 0.990 374 D CA 1.286 55.224 54.000 -0.104 0.000 0.826 374 D CB 0.258 40.967 40.800 -0.152 0.000 0.971 374 D HN -0.138 nan 8.370 nan 0.000 0.453 375 K N 0.184 120.484 120.400 -0.167 0.000 2.116 375 K HA -0.015 4.305 4.320 -0.000 0.000 0.203 375 K C 2.265 178.875 176.600 0.017 0.000 1.052 375 K CA 0.723 56.908 56.287 -0.171 0.000 0.952 375 K CB -0.850 31.427 32.500 -0.372 0.000 0.729 375 K HN 0.132 nan 8.250 nan 0.000 0.446 376 S N 1.452 117.200 115.700 0.079 0.000 2.365 376 S HA -0.199 4.271 4.470 -0.000 0.000 0.225 376 S C 1.808 176.603 174.600 0.326 0.000 1.039 376 S CA 1.629 60.006 58.200 0.295 0.000 1.033 376 S CB -0.012 63.378 63.200 0.317 0.000 0.887 376 S HN 0.343 nan 8.310 nan 0.000 0.447 377 E N 0.483 120.760 120.200 0.130 0.000 2.072 377 E HA -0.027 4.323 4.350 -0.000 0.000 0.190 377 E C 2.155 178.771 176.600 0.028 0.000 0.982 377 E CA 0.932 57.359 56.400 0.045 0.000 0.803 377 E CB -0.264 29.436 29.700 -0.001 0.000 0.755 377 E HN 0.447 nan 8.360 nan 0.000 0.453 378 L N 0.856 122.096 121.223 0.028 0.000 1.989 378 L HA -0.235 4.105 4.340 -0.000 0.000 0.211 378 L C 2.292 179.198 176.870 0.061 0.000 1.071 378 L CA 1.470 56.321 54.840 0.018 0.000 0.749 378 L CB -0.238 41.815 42.059 -0.010 0.000 0.890 378 L HN 0.242 nan 8.230 nan 0.000 0.431 379 L N -0.196 121.116 121.223 0.148 0.000 2.083 379 L HA -0.274 4.066 4.340 -0.000 0.000 0.209 379 L C 2.689 179.712 176.870 0.256 0.000 1.083 379 L CA 1.403 56.381 54.840 0.231 0.000 0.752 379 L CB -0.468 41.775 42.059 0.306 0.000 0.899 379 L HN 0.291 nan 8.230 nan 0.000 0.433 380 K N 0.346 120.848 120.400 0.170 0.000 2.097 380 K HA -0.224 4.096 4.320 -0.000 0.000 0.205 380 K C 2.266 178.728 176.600 -0.230 0.000 1.050 380 K CA 1.279 57.338 56.287 -0.379 0.000 0.938 380 K CB 0.048 32.080 32.500 -0.780 0.000 0.718 380 K HN 0.104 nan 8.250 nan 0.000 0.442 381 K N 0.754 121.084 120.400 -0.117 0.000 2.057 381 K HA -0.114 4.206 4.320 -0.000 0.000 0.206 381 K C 1.993 178.553 176.600 -0.067 0.000 1.050 381 K CA 1.619 57.853 56.287 -0.088 0.000 0.935 381 K CB 0.021 32.488 32.500 -0.055 0.000 0.715 381 K HN 0.177 nan 8.250 nan 0.000 0.439 382 V N -1.206 118.680 119.914 -0.046 0.000 2.488 382 V HA -0.124 3.996 4.120 -0.000 0.000 0.246 382 V C 2.174 178.208 176.094 -0.100 0.000 1.046 382 V CA 1.121 63.395 62.300 -0.042 0.000 1.053 382 V CB -0.546 31.274 31.823 -0.006 0.000 0.679 382 V HN 0.186 nan 8.190 nan 0.000 0.458 383 I N 0.151 120.618 120.570 -0.172 0.000 2.202 383 I HA -0.173 3.997 4.170 -0.000 0.000 0.242 383 I C 2.831 178.834 176.117 -0.191 0.000 1.091 383 I CA 1.911 62.996 61.300 -0.357 0.000 1.368 383 I CB -0.419 37.281 38.000 -0.499 0.000 1.058 383 I HN 0.235 nan 8.210 nan 0.000 0.410 384 K N 0.264 120.580 120.400 -0.138 0.000 2.063 384 K HA -0.256 4.064 4.320 -0.000 0.000 0.208 384 K C 2.275 178.858 176.600 -0.029 0.000 1.048 384 K CA 1.381 57.624 56.287 -0.074 0.000 0.928 384 K CB -0.176 32.258 32.500 -0.109 0.000 0.713 384 K HN 0.243 nan 8.250 nan 0.000 0.442 385 Q N 1.324 121.101 119.800 -0.038 0.000 2.084 385 Q HA -0.203 4.137 4.340 -0.000 0.000 0.202 385 Q C 1.942 177.950 176.000 0.014 0.000 0.978 385 Q CA 1.648 57.443 55.803 -0.012 0.000 0.844 385 Q CB 0.036 28.764 28.738 -0.016 0.000 0.898 385 Q HN 0.211 nan 8.270 nan 0.000 0.426 386 K N -0.036 120.374 120.400 0.017 0.000 2.057 386 K HA -0.131 4.189 4.320 -0.000 0.000 0.206 386 K C 1.875 178.549 176.600 0.124 0.000 1.050 386 K CA 1.179 57.509 56.287 0.072 0.000 0.935 386 K CB 0.132 32.697 32.500 0.108 0.000 0.715 386 K HN 0.119 nan 8.250 nan 0.000 0.439 387 E N 0.530 120.815 120.200 0.142 0.000 2.110 387 E HA -0.165 4.185 4.350 -0.000 0.000 0.193 387 E C 1.951 178.622 176.600 0.118 0.000 0.988 387 E CA 1.050 57.560 56.400 0.183 0.000 0.804 387 E CB 0.065 29.889 29.700 0.207 0.000 0.745 387 E HN 0.392 nan 8.360 nan 0.000 0.458 388 L N -0.331 120.937 121.223 0.075 0.000 2.513 388 L HA 0.067 4.407 4.340 -0.000 0.000 0.222 388 L C 1.567 178.460 176.870 0.039 0.000 1.096 388 L CA 0.455 55.326 54.840 0.051 0.000 0.857 388 L CB 0.181 42.259 42.059 0.031 0.000 1.026 388 L HN -0.029 nan 8.230 nan 0.000 0.469 389 E N -1.308 118.915 120.200 0.039 0.000 2.606 389 E HA 0.150 4.500 4.350 -0.000 0.000 0.224 389 E C 0.037 176.653 176.600 0.026 0.000 0.930 389 E CA -0.089 56.327 56.400 0.026 0.000 1.125 389 E CB 0.973 30.682 29.700 0.015 0.000 1.123 389 E HN 0.353 nan 8.360 nan 0.000 0.522 390 Q N 0.754 120.579 119.800 0.041 0.000 2.348 390 Q HA 0.289 4.629 4.340 -0.000 0.000 0.271 390 Q C -0.602 175.429 176.000 0.052 0.000 1.067 390 Q CA -0.713 55.111 55.803 0.035 0.000 0.839 390 Q CB 1.983 30.739 28.738 0.029 0.000 1.354 390 Q HN -0.035 nan 8.270 nan 0.000 0.447 391 E N 0.715 120.939 120.200 0.041 0.000 2.277 391 E HA 0.228 4.578 4.350 -0.000 0.000 0.274 391 E C -0.949 175.694 176.600 0.071 0.000 1.022 391 E CA -0.289 56.145 56.400 0.057 0.000 0.853 391 E CB 1.818 31.544 29.700 0.043 0.000 1.086 391 E HN 0.480 nan 8.360 nan 0.000 0.397 392 C N 4.452 123.825 119.300 0.123 0.000 2.351 392 C HA 0.486 4.946 4.460 -0.000 0.000 0.326 392 C C -2.307 172.804 174.990 0.201 0.000 1.272 392 C CA -1.928 57.165 59.018 0.127 0.000 1.650 392 C CB 0.350 28.205 27.740 0.191 0.000 2.257 392 C HN 0.484 nan 8.230 nan 0.000 0.505 393 P HA 0.096 nan 4.420 nan 0.000 0.267 393 P C -0.993 176.376 177.300 0.115 0.000 1.209 393 P CA 0.343 63.503 63.100 0.100 0.000 0.763 393 P CB 0.206 31.913 31.700 0.012 0.000 0.816 394 Y N 0.668 121.009 120.300 0.067 0.000 2.660 394 Y HA 0.203 4.753 4.550 -0.000 0.000 0.254 394 Y C 0.709 176.702 175.900 0.155 0.000 1.176 394 Y CA -0.052 58.104 58.100 0.094 0.000 1.195 394 Y CB 0.139 38.685 38.460 0.144 0.000 1.190 394 Y HN 0.473 nan 8.280 nan 0.000 0.535 395 H N -0.846 118.293 119.070 0.115 0.000 2.954 395 H HA 0.172 4.728 4.556 0.000 0.000 0.361 395 H C 0.849 176.216 175.328 0.065 0.000 1.122 395 H CA 0.311 56.419 56.048 0.100 0.000 1.217 395 H CB 2.178 32.003 29.762 0.105 0.000 1.776 395 H HN 0.115 nan 8.280 nan 0.000 0.533 396 S N 3.412 119.118 115.700 0.011 0.000 2.442 396 S HA -0.192 4.278 4.470 -0.000 0.000 0.236 396 S C 1.670 176.395 174.600 0.209 0.000 1.007 396 S CA 1.321 59.570 58.200 0.082 0.000 0.965 396 S CB -0.197 63.015 63.200 0.019 0.000 0.773 396 S HN 0.735 nan 8.310 nan 0.000 0.504 397 K N 0.908 121.571 120.400 0.439 0.000 2.365 397 K HA -0.030 4.290 4.320 -0.000 0.000 0.199 397 K C 0.481 177.183 176.600 0.170 0.000 1.045 397 K CA 1.330 57.776 56.287 0.266 0.000 0.962 397 K CB -0.182 32.439 32.500 0.200 0.000 0.759 397 K HN 0.247 nan 8.250 nan 0.000 0.469 398 D N 1.423 121.930 120.400 0.179 0.000 2.350 398 D HA 0.036 4.676 4.640 -0.000 0.000 0.213 398 D C 0.106 176.475 176.300 0.116 0.000 1.031 398 D CA 0.115 54.188 54.000 0.122 0.000 0.861 398 D CB 0.412 41.282 40.800 0.117 0.000 0.926 398 D HN -0.026 nan 8.370 nan 0.000 0.520 399 V N 1.673 121.661 119.914 0.123 0.000 2.521 399 V HA 0.067 4.187 4.120 -0.000 0.000 0.286 399 V C 0.626 176.858 176.094 0.230 0.000 1.034 399 V CA 0.142 62.519 62.300 0.128 0.000 1.045 399 V CB 0.635 32.504 31.823 0.077 0.000 0.974 399 V HN -0.127 nan 8.190 nan 0.000 0.480 400 K N 2.778 123.318 120.400 0.233 0.000 2.306 400 K HA 0.793 5.113 4.320 -0.000 0.000 0.236 400 K C 0.036 176.770 176.600 0.222 0.000 1.013 400 K CA -0.659 55.720 56.287 0.153 0.000 0.857 400 K CB 1.664 34.214 32.500 0.084 0.000 1.214 400 K HN 0.774 nan 8.250 nan 0.000 0.449 401 A N 2.029 124.786 122.820 -0.104 0.000 2.565 401 A HA 0.093 4.413 4.320 -0.000 0.000 0.237 401 A C -1.771 175.887 177.584 0.123 0.000 1.053 401 A CA -0.408 51.614 52.037 -0.026 0.000 0.755 401 A CB -0.375 18.481 19.000 -0.240 0.000 0.980 401 A HN 0.521 nan 8.150 nan 0.000 0.506 402 P HA 0.129 nan 4.420 nan 0.000 0.254 402 P C -0.834 176.349 177.300 -0.194 0.000 1.494 402 P CA -0.046 62.972 63.100 -0.137 0.000 0.961 402 P CB -0.127 31.424 31.700 -0.248 0.000 1.493 403 W N 1.169 122.508 121.300 0.065 0.000 2.381 403 W HA 0.451 5.111 4.660 -0.000 0.000 0.329 403 W C 0.741 177.147 176.519 -0.189 0.000 1.157 403 W CA -0.390 56.920 57.345 -0.058 0.000 1.240 403 W CB 1.273 30.722 29.460 -0.018 0.000 1.199 403 W HN -0.298 nan 8.180 nan 0.000 0.579 404 K N 0.734 120.997 120.400 -0.228 0.000 2.395 404 K HA 0.541 4.861 4.320 -0.000 0.000 0.247 404 K C -0.858 175.497 176.600 -0.408 0.000 0.973 404 K CA -0.930 55.039 56.287 -0.530 0.000 0.828 404 K CB 2.104 33.969 32.500 -1.058 0.000 1.272 404 K HN 0.208 nan 8.250 nan 0.000 0.439 405 T N 1.352 115.776 114.554 -0.218 0.000 2.749 405 T HA 0.336 4.686 4.350 -0.000 0.000 0.287 405 T C -0.340 174.371 174.700 0.019 0.000 0.970 405 T CA -0.625 61.412 62.100 -0.105 0.000 0.980 405 T CB 1.239 70.049 68.868 -0.097 0.000 0.924 405 T HN 0.638 nan 8.240 nan 0.000 0.456 406 A N 4.422 127.152 122.820 -0.150 0.000 2.488 406 A HA 0.605 4.925 4.320 -0.000 0.000 0.249 406 A C 0.297 177.743 177.584 -0.230 0.000 1.083 406 A CA -0.328 51.498 52.037 -0.351 0.000 0.768 406 A CB -0.541 17.686 19.000 -1.288 0.000 1.017 406 A HN 0.938 nan 8.150 nan 0.000 0.496 407 I N -0.077 120.442 120.570 -0.087 0.000 2.994 407 I HA 0.769 4.939 4.170 -0.000 0.000 0.306 407 I C -2.921 173.170 176.117 -0.044 0.000 1.195 407 I CA -2.948 58.319 61.300 -0.056 0.000 1.001 407 I CB 2.781 40.778 38.000 -0.004 0.000 1.244 407 I HN 0.350 nan 8.210 nan 0.000 0.437 408 P HA 0.361 nan 4.420 nan 0.000 0.282 408 P C -2.411 174.884 177.300 -0.008 0.000 1.259 408 P CA -1.941 61.147 63.100 -0.022 0.000 0.826 408 P CB 0.616 32.358 31.700 0.070 0.000 1.064 409 P HA -0.102 nan 4.420 nan 0.000 0.242 409 P C 0.842 178.238 177.300 0.161 0.000 1.197 409 P CA 1.312 64.435 63.100 0.040 0.000 0.765 409 P CB -0.468 31.198 31.700 -0.057 0.000 0.936 410 H N -1.280 117.697 119.070 -0.155 0.000 2.526 410 H HA 0.337 4.893 4.556 0.000 0.000 0.274 410 H C 0.945 176.296 175.328 0.038 0.000 0.999 410 H CA -0.056 55.953 56.048 -0.065 0.000 1.157 410 H CB -0.205 29.461 29.762 -0.160 0.000 1.407 410 H HN 0.103 nan 8.280 nan 0.000 0.568 411 K N -0.099 120.224 120.400 -0.130 0.000 2.443 411 K HA 0.561 4.881 4.320 -0.000 0.000 0.200 411 K C -0.016 176.546 176.600 -0.064 0.000 1.278 411 K CA 0.581 56.780 56.287 -0.148 0.000 0.925 411 K CB 1.325 33.660 32.500 -0.275 0.000 1.225 411 K HN 0.243 nan 8.250 nan 0.000 0.514 412 A N 0.947 123.631 122.820 -0.227 0.000 2.567 412 A HA 0.637 4.957 4.320 -0.000 0.000 0.291 412 A C -1.800 175.315 177.584 -0.782 0.000 1.048 412 A CA -0.704 50.940 52.037 -0.656 0.000 0.661 412 A CB 1.410 20.263 19.000 -0.245 0.000 1.288 412 A HN 0.071 nan 8.150 nan 0.000 0.424 413 R N 0.371 120.269 120.500 -1.004 0.000 2.515 413 R HA 0.647 4.987 4.340 -0.000 0.000 0.278 413 R C -1.963 174.190 176.300 -0.245 0.000 1.107 413 R CA -0.425 55.386 56.100 -0.482 0.000 0.945 413 R CB 1.617 31.803 30.300 -0.191 0.000 1.219 413 R HN 1.417 nan 8.270 nan 0.000 0.434 414 Y N 0.772 120.878 120.300 -0.324 0.000 2.814 414 Y HA 0.414 4.964 4.550 0.000 0.000 0.348 414 Y C -1.942 173.805 175.900 -0.254 0.000 1.245 414 Y CA -1.358 56.478 58.100 -0.440 0.000 1.086 414 Y CB 0.985 38.886 38.460 -0.932 0.000 1.373 414 Y HN 0.285 nan 8.280 nan 0.000 0.451 415 L N 2.675 123.831 121.223 -0.112 0.000 2.325 415 L HA 0.612 4.952 4.340 -0.000 0.000 0.279 415 L C -1.008 176.113 176.870 0.419 0.000 1.054 415 L CA -0.996 53.839 54.840 -0.008 0.000 0.804 415 L CB 1.266 43.099 42.059 -0.377 0.000 1.200 415 L HN 0.810 nan 8.230 nan 0.000 0.436 416 Y N 0.763 121.312 120.300 0.416 0.000 2.571 416 Y HA 0.708 5.258 4.550 0.000 0.000 0.341 416 Y C -1.194 174.838 175.900 0.220 0.000 1.076 416 Y CA -1.385 56.949 58.100 0.390 0.000 1.029 416 Y CB 1.123 39.752 38.460 0.281 0.000 1.308 416 Y HN 0.299 nan 8.280 nan 0.000 0.461 417 I N 3.124 123.751 120.570 0.095 0.000 2.355 417 I HA 0.269 4.439 4.170 -0.000 0.000 0.288 417 I C -0.540 175.688 176.117 0.185 0.000 0.999 417 I CA -0.449 60.784 61.300 -0.112 0.000 1.163 417 I CB 1.612 39.416 38.000 -0.326 0.000 1.316 417 I HN 0.848 nan 8.210 nan 0.000 0.454 418 D N 3.494 123.974 120.400 0.133 0.000 2.449 418 D HA 0.140 4.779 4.640 -0.000 0.000 0.210 418 D C 1.325 177.476 176.300 -0.248 0.000 1.094 418 D CA 0.520 54.605 54.000 0.142 0.000 0.846 418 D CB 0.768 41.733 40.800 0.274 0.000 1.003 418 D HN 0.703 nan 8.370 nan 0.000 0.504 419 G N 0.410 108.993 108.800 -0.362 0.000 2.176 419 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.253 419 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.253 419 G C 0.252 174.953 174.900 -0.331 0.000 0.979 419 G CA 0.335 45.048 45.100 -0.645 0.000 0.641 419 G HN 0.459 nan 8.290 nan 0.000 0.530 420 K N 1.129 121.417 120.400 -0.186 0.000 2.102 420 K HA 0.437 4.757 4.320 -0.000 0.000 0.244 420 K C 0.946 177.495 176.600 -0.085 0.000 1.021 420 K CA -0.180 56.045 56.287 -0.103 0.000 0.913 420 K CB 0.697 33.176 32.500 -0.036 0.000 1.062 420 K HN 0.621 nan 8.250 nan 0.000 0.485 421 E N 0.900 121.060 120.200 -0.067 0.000 2.437 421 E HA -0.132 4.218 4.350 -0.000 0.000 0.263 421 E C -0.688 175.879 176.600 -0.056 0.000 1.030 421 E CA -0.238 56.130 56.400 -0.052 0.000 0.934 421 E CB 0.251 29.919 29.700 -0.054 0.000 0.943 421 E HN 0.463 nan 8.360 nan 0.000 0.444 422 Y N 2.173 122.386 120.300 -0.146 0.000 2.702 422 Y HA 0.013 4.563 4.550 -0.000 0.000 0.336 422 Y C -0.194 175.564 175.900 -0.237 0.000 1.235 422 Y CA 0.373 58.367 58.100 -0.176 0.000 1.492 422 Y CB 0.602 38.979 38.460 -0.139 0.000 1.308 422 Y HN 0.548 nan 8.280 nan 0.000 0.589 423 R N 4.510 124.317 120.500 -1.154 0.000 2.533 423 R HA 0.299 4.639 4.340 -0.000 0.000 0.288 423 R C -1.811 173.611 176.300 -1.462 0.000 1.039 423 R CA -0.675 54.690 56.100 -1.224 0.000 0.909 423 R CB 1.024 30.705 30.300 -1.032 0.000 1.195 423 R HN 0.736 nan 8.270 nan 0.000 0.438 424 N N 4.464 122.423 118.700 -1.235 0.000 2.576 424 N HA 0.222 4.962 4.740 -0.000 0.000 0.269 424 N C -1.517 173.666 175.510 -0.545 0.000 1.058 424 N CA -0.299 52.287 53.050 -0.772 0.000 0.860 424 N CB 0.698 38.950 38.487 -0.390 0.000 1.249 424 N HN 0.331 nan 8.380 nan 0.000 0.525 425 F N 2.656 122.467 119.950 -0.232 0.000 2.368 425 F HA 0.343 4.870 4.527 -0.000 0.000 0.362 425 F C 1.652 177.375 175.800 -0.128 0.000 1.137 425 F CA -0.439 57.443 58.000 -0.198 0.000 1.161 425 F CB 1.188 40.023 39.000 -0.275 0.000 1.265 425 F HN 0.327 nan 8.300 nan 0.000 0.530 426 Q N 0.768 120.659 119.800 0.151 0.000 2.316 426 Q HA 0.125 4.465 4.340 -0.000 0.000 0.235 426 Q C 0.713 176.869 176.000 0.260 0.000 0.863 426 Q CA 0.434 56.403 55.803 0.276 0.000 0.939 426 Q CB 0.907 29.796 28.738 0.252 0.000 1.108 426 Q HN 0.657 nan 8.270 nan 0.000 0.522 427 T N -3.786 110.866 114.554 0.164 0.000 2.883 427 T HA 0.344 4.694 4.350 -0.000 0.000 0.296 427 T C 0.782 175.545 174.700 0.104 0.000 1.117 427 T CA -0.728 61.450 62.100 0.130 0.000 1.006 427 T CB 2.356 71.290 68.868 0.110 0.000 1.191 427 T HN -0.061 nan 8.240 nan 0.000 0.508 428 E N 0.388 120.636 120.200 0.080 0.000 2.097 428 E HA -0.205 4.145 4.350 -0.000 0.000 0.196 428 E C 2.260 178.928 176.600 0.112 0.000 1.000 428 E CA 1.528 57.978 56.400 0.084 0.000 0.804 428 E CB -0.450 29.285 29.700 0.059 0.000 0.740 428 E HN 0.767 nan 8.360 nan 0.000 0.454 429 A N 1.636 124.514 122.820 0.096 0.000 1.892 429 A HA -0.256 4.064 4.320 -0.000 0.000 0.218 429 A C 1.831 179.479 177.584 0.106 0.000 1.188 429 A CA 2.064 54.154 52.037 0.089 0.000 0.631 429 A CB -0.665 18.378 19.000 0.072 0.000 0.822 429 A HN 0.277 nan 8.150 nan 0.000 0.447 430 D N -0.047 120.432 120.400 0.131 0.000 2.133 430 D HA -0.158 4.482 4.640 -0.000 0.000 0.195 430 D C 1.867 178.340 176.300 0.287 0.000 0.997 430 D CA 1.451 55.563 54.000 0.188 0.000 0.840 430 D CB -0.351 40.580 40.800 0.218 0.000 0.947 430 D HN 0.573 nan 8.370 nan 0.000 0.452 431 I N 0.386 121.064 120.570 0.180 0.000 2.233 431 I HA -0.189 3.981 4.170 -0.000 0.000 0.243 431 I C 2.478 178.633 176.117 0.062 0.000 1.093 431 I CA 0.496 61.782 61.300 -0.024 0.000 1.380 431 I CB -0.134 37.846 38.000 -0.034 0.000 1.067 431 I HN -0.042 nan 8.210 nan 0.000 0.413 432 L N 0.454 121.734 121.223 0.095 0.000 2.083 432 L HA -0.238 4.102 4.340 -0.000 0.000 0.209 432 L C 2.609 179.514 176.870 0.058 0.000 1.083 432 L CA 1.460 56.340 54.840 0.066 0.000 0.752 432 L CB -0.593 41.514 42.059 0.080 0.000 0.899 432 L HN 0.340 nan 8.230 nan 0.000 0.433 433 E N 0.342 120.589 120.200 0.077 0.000 2.077 433 E HA -0.256 4.094 4.350 -0.000 0.000 0.193 433 E C 2.213 178.859 176.600 0.077 0.000 0.989 433 E CA 1.259 57.700 56.400 0.067 0.000 0.800 433 E CB 0.023 29.763 29.700 0.066 0.000 0.746 433 E HN 0.473 nan 8.360 nan 0.000 0.452 434 A N 0.846 123.744 122.820 0.131 0.000 1.933 434 A HA -0.135 4.185 4.320 -0.000 0.000 0.218 434 A C 2.164 179.820 177.584 0.120 0.000 1.175 434 A CA 1.025 53.159 52.037 0.161 0.000 0.628 434 A CB -0.523 18.662 19.000 0.308 0.000 0.814 434 A HN 0.286 nan 8.150 nan 0.000 0.444 435 L N -0.721 120.550 121.223 0.080 0.000 2.156 435 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 435 L C 2.369 179.240 176.870 0.002 0.000 1.095 435 L CA 1.299 56.148 54.840 0.014 0.000 0.770 435 L CB -0.445 41.578 42.059 -0.060 0.000 0.914 435 L HN 0.430 nan 8.230 nan 0.000 0.439 436 N N 0.700 119.409 118.700 0.014 0.000 2.354 436 N HA -0.108 4.632 4.740 -0.000 0.000 0.179 436 N C 0.087 175.603 175.510 0.011 0.000 1.021 436 N CA 0.769 53.824 53.050 0.008 0.000 0.887 436 N CB 0.089 38.583 38.487 0.012 0.000 0.974 436 N HN 0.292 nan 8.380 nan 0.000 0.437 437 N N 0.077 118.790 118.700 0.022 0.000 2.886 437 N HA 0.112 4.852 4.740 -0.000 0.000 0.285 437 N C -1.375 174.150 175.510 0.024 0.000 1.706 437 N CA -0.337 52.723 53.050 0.017 0.000 0.904 437 N CB 0.299 38.794 38.487 0.012 0.000 1.224 437 N HN 0.177 nan 8.380 nan 0.000 0.488 438 N N 2.170 120.883 118.700 0.021 0.000 2.454 438 N HA -0.042 4.698 4.740 -0.000 0.000 0.260 438 N C -0.961 174.558 175.510 0.015 0.000 1.218 438 N CA 0.411 53.477 53.050 0.027 0.000 0.904 438 N CB 0.690 39.185 38.487 0.013 0.000 1.065 438 N HN 0.457 nan 8.380 nan 0.000 0.462 439 D N 3.158 123.568 120.400 0.017 0.000 2.450 439 D HA 0.402 5.042 4.640 -0.000 0.000 0.238 439 D C -0.465 175.835 176.300 -0.000 0.000 1.020 439 D CA -0.510 53.490 54.000 -0.000 0.000 1.010 439 D CB 1.240 42.030 40.800 -0.016 0.000 1.342 439 D HN 0.300 nan 8.370 nan 0.000 0.530 440 L N -0.737 120.481 121.223 -0.009 0.000 2.322 440 L HA 0.470 4.810 4.340 -0.000 0.000 0.269 440 L C -2.302 174.541 176.870 -0.045 0.000 1.012 440 L CA -2.176 52.655 54.840 -0.014 0.000 0.815 440 L CB 1.696 43.755 42.059 -0.001 0.000 1.295 440 L HN 0.174 nan 8.230 nan 0.000 0.438 441 P HA 0.068 nan 4.420 nan 0.000 0.268 441 P C -1.084 176.106 177.300 -0.183 0.000 1.204 441 P CA -0.050 62.914 63.100 -0.226 0.000 0.768 441 P CB 0.365 31.887 31.700 -0.297 0.000 0.842 442 N N 2.767 121.338 118.700 -0.215 0.000 2.577 442 N HA 0.171 4.911 4.740 -0.000 0.000 0.275 442 N C 0.142 175.587 175.510 -0.108 0.000 1.091 442 N CA -0.321 52.695 53.050 -0.056 0.000 0.843 442 N CB 0.588 39.210 38.487 0.224 0.000 1.295 442 N HN 0.121 nan 8.380 nan 0.000 0.530 443 F N 1.431 121.403 119.950 0.037 0.000 2.186 443 F HA -0.109 4.418 4.527 -0.000 0.000 0.299 443 F C 2.532 178.327 175.800 -0.007 0.000 1.090 443 F CA 0.864 58.871 58.000 0.013 0.000 1.307 443 F CB 0.236 39.240 39.000 0.007 0.000 1.019 443 F HN 0.484 nan 8.300 nan 0.000 0.489 444 Q N 0.128 119.990 119.800 0.103 0.000 2.084 444 Q HA -0.170 4.170 4.340 -0.000 0.000 0.202 444 Q C 1.906 177.880 176.000 -0.044 0.000 0.978 444 Q CA 1.807 57.591 55.803 -0.031 0.000 0.844 444 Q CB -0.634 28.005 28.738 -0.166 0.000 0.898 444 Q HN 0.337 nan 8.270 nan 0.000 0.426 445 F N -0.220 119.733 119.950 0.005 0.000 2.171 445 F HA -0.139 4.388 4.527 -0.000 0.000 0.300 445 F C 2.304 178.077 175.800 -0.045 0.000 1.090 445 F CA 1.606 59.591 58.000 -0.025 0.000 1.293 445 F CB -0.957 38.020 39.000 -0.039 0.000 1.013 445 F HN 0.062 nan 8.300 nan 0.000 0.486 446 T N -0.461 114.176 114.554 0.138 0.000 2.708 446 T HA -0.238 4.112 4.350 -0.000 0.000 0.266 446 T C 2.023 176.725 174.700 0.004 0.000 1.037 446 T CA 1.631 63.749 62.100 0.031 0.000 1.146 446 T CB -0.259 68.606 68.868 -0.005 0.000 0.865 446 T HN 0.092 nan 8.240 nan 0.000 0.435 447 K N 0.811 121.235 120.400 0.040 0.000 2.020 447 K HA -0.196 4.124 4.320 -0.000 0.000 0.212 447 K C 1.973 178.567 176.600 -0.010 0.000 1.050 447 K CA 1.938 58.234 56.287 0.015 0.000 0.929 447 K CB -0.186 32.339 32.500 0.042 0.000 0.714 447 K HN 0.182 nan 8.250 nan 0.000 0.443 448 D N 0.008 120.422 120.400 0.024 0.000 2.106 448 D HA -0.193 4.447 4.640 -0.000 0.000 0.191 448 D C 1.805 178.099 176.300 -0.010 0.000 0.997 448 D CA 1.635 55.652 54.000 0.029 0.000 0.834 448 D CB -0.485 40.375 40.800 0.101 0.000 0.956 448 D HN 0.377 nan 8.370 nan 0.000 0.448 449 A N 0.659 123.469 122.820 -0.017 0.000 1.908 449 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 449 A C 2.425 179.909 177.584 -0.168 0.000 1.181 449 A CA 1.175 53.167 52.037 -0.076 0.000 0.627 449 A CB -0.867 18.085 19.000 -0.080 0.000 0.818 449 A HN 0.231 nan 8.150 nan 0.000 0.445 450 I N -0.966 119.460 120.570 -0.241 0.000 2.194 450 I HA -0.292 3.878 4.170 -0.000 0.000 0.246 450 I C 2.532 178.449 176.117 -0.333 0.000 1.093 450 I CA 1.847 62.864 61.300 -0.473 0.000 1.355 450 I CB -0.173 37.542 38.000 -0.476 0.000 1.046 450 I HN 0.181 nan 8.210 nan 0.000 0.413 451 K N 0.677 120.986 120.400 -0.152 0.000 2.097 451 K HA -0.131 4.189 4.320 -0.000 0.000 0.206 451 K C 1.845 178.417 176.600 -0.047 0.000 1.049 451 K CA 1.265 57.514 56.287 -0.062 0.000 0.933 451 K CB -0.218 32.269 32.500 -0.022 0.000 0.717 451 K HN 0.122 nan 8.250 nan 0.000 0.442 452 I N 0.751 121.285 120.570 -0.060 0.000 2.127 452 I HA -0.277 3.892 4.170 -0.000 0.000 0.241 452 I C 2.171 178.266 176.117 -0.037 0.000 1.075 452 I CA 1.535 62.811 61.300 -0.040 0.000 1.334 452 I CB -0.907 37.067 38.000 -0.044 0.000 1.040 452 I HN 0.140 nan 8.210 nan 0.000 0.405 453 I N 0.827 121.349 120.570 -0.079 0.000 2.226 453 I HA -0.295 3.875 4.170 -0.000 0.000 0.245 453 I C 2.760 178.919 176.117 0.070 0.000 1.100 453 I CA 1.735 63.015 61.300 -0.033 0.000 1.374 453 I CB -0.313 37.633 38.000 -0.091 0.000 1.057 453 I HN 0.288 nan 8.210 nan 0.000 0.413 454 S N -0.092 115.655 115.700 0.078 0.000 2.402 454 S HA -0.165 4.305 4.470 -0.000 0.000 0.229 454 S C 1.510 176.189 174.600 0.131 0.000 1.021 454 S CA 1.269 59.607 58.200 0.230 0.000 0.974 454 S CB -0.303 63.084 63.200 0.311 0.000 0.800 454 S HN 0.335 nan 8.310 nan 0.000 0.484 455 D N 1.856 122.299 120.400 0.071 0.000 2.349 455 D HA 0.475 5.115 4.640 -0.000 0.000 0.224 455 D C 0.244 176.569 176.300 0.042 0.000 1.029 455 D CA 0.847 54.878 54.000 0.052 0.000 0.879 455 D CB 0.744 41.564 40.800 0.034 0.000 0.906 455 D HN 0.560 nan 8.370 nan 0.000 0.528 456 A N -0.498 122.349 122.820 0.045 0.000 2.333 456 A HA 0.441 4.761 4.320 -0.000 0.000 0.298 456 A C 0.630 178.237 177.584 0.037 0.000 1.239 456 A CA -0.019 52.039 52.037 0.035 0.000 0.896 456 A CB 0.068 19.081 19.000 0.022 0.000 1.421 456 A HN -0.086 nan 8.150 nan 0.000 0.433 457 S N 0.506 116.235 115.700 0.049 0.000 4.041 457 S HA 0.130 4.600 4.470 -0.000 0.000 0.549 457 S C 1.028 175.659 174.600 0.051 0.000 1.977 457 S CA 2.466 60.702 58.200 0.061 0.000 4.160 457 S CB -0.851 62.410 63.200 0.102 0.000 0.741 457 S HN 2.995 nan 8.310 nan 0.000 0.622 458 G N 0.697 109.534 108.800 0.062 0.000 2.158 458 G HA2 0.201 4.161 3.960 -0.000 0.000 0.238 458 G HA3 0.201 4.161 3.960 -0.000 0.000 0.238 458 G C -0.728 174.207 174.900 0.059 0.000 1.723 458 G CA 0.111 45.241 45.100 0.051 0.000 0.911 458 G HN 0.723 nan 8.290 nan 0.000 0.741 459 N N 1.441 120.177 118.700 0.060 0.000 3.193 459 N HA 0.178 4.918 4.740 -0.000 0.000 0.312 459 N C 1.199 176.737 175.510 0.047 0.000 1.261 459 N CA 0.419 53.510 53.050 0.069 0.000 1.208 459 N CB 0.148 38.679 38.487 0.074 0.000 1.471 459 N HN 0.727 nan 8.380 nan 0.000 0.548 460 S N 0.676 116.398 115.700 0.036 0.000 2.661 460 S HA 0.244 4.714 4.470 -0.000 0.000 0.265 460 S C 1.219 175.827 174.600 0.014 0.000 1.225 460 S CA -0.484 57.729 58.200 0.022 0.000 0.986 460 S CB 1.257 64.468 63.200 0.017 0.000 1.008 460 S HN 0.389 nan 8.310 nan 0.000 0.565 461 R N 0.034 120.539 120.500 0.009 0.000 2.235 461 R HA 0.083 4.423 4.340 -0.000 0.000 0.213 461 R C 1.616 177.914 176.300 -0.003 0.000 1.059 461 R CA 1.053 57.156 56.100 0.005 0.000 0.997 461 R CB -0.210 30.093 30.300 0.005 0.000 0.884 461 R HN 0.680 nan 8.270 nan 0.000 0.462 462 E N -0.657 119.539 120.200 -0.005 0.000 2.250 462 E HA 0.043 4.393 4.350 -0.000 0.000 0.192 462 E C 0.669 177.245 176.600 -0.040 0.000 0.986 462 E CA 0.627 57.020 56.400 -0.012 0.000 0.849 462 E CB 0.343 30.041 29.700 -0.004 0.000 0.797 462 E HN 0.119 nan 8.360 nan 0.000 0.482 463 N N 0.423 119.094 118.700 -0.050 0.000 2.143 463 N HA 0.040 4.780 4.740 -0.000 0.000 0.222 463 N C -0.739 174.658 175.510 -0.187 0.000 1.264 463 N CA -0.072 52.913 53.050 -0.108 0.000 0.897 463 N CB 0.146 38.613 38.487 -0.033 0.000 1.092 463 N HN 0.200 nan 8.380 nan 0.000 0.516 464 N N -0.288 118.354 118.700 -0.096 0.000 2.415 464 N HA 0.028 4.768 4.740 -0.000 0.000 0.248 464 N C -0.447 174.986 175.510 -0.129 0.000 1.271 464 N CA 0.043 53.085 53.050 -0.014 0.000 0.913 464 N CB 0.246 38.760 38.487 0.045 0.000 1.129 464 N HN -0.139 nan 8.380 nan 0.000 0.444 465 F N -0.820 119.185 119.950 0.090 0.000 2.837 465 F HA 0.295 4.822 4.527 -0.000 0.000 0.298 465 F C 0.743 176.603 175.800 0.099 0.000 1.161 465 F CA -0.569 57.501 58.000 0.116 0.000 1.353 465 F CB 0.161 39.221 39.000 0.100 0.000 0.951 465 F HN 0.470 nan 8.300 nan 0.000 0.508 466 D N 0.778 121.290 120.400 0.187 0.000 2.144 466 D HA -0.189 4.451 4.640 -0.000 0.000 0.199 466 D C 2.360 178.730 176.300 0.118 0.000 0.984 466 D CA 1.362 55.440 54.000 0.129 0.000 0.834 466 D CB -0.136 40.709 40.800 0.075 0.000 0.955 466 D HN 0.326 nan 8.370 nan 0.000 0.465 467 A N 1.109 123.997 122.820 0.113 0.000 1.865 467 A HA -0.231 4.089 4.320 -0.000 0.000 0.217 467 A C 2.156 179.848 177.584 0.180 0.000 1.191 467 A CA 1.811 53.899 52.037 0.085 0.000 0.623 467 A CB -0.625 18.386 19.000 0.018 0.000 0.826 467 A HN 0.112 nan 8.150 nan 0.000 0.444 468 E N -0.463 119.912 120.200 0.292 0.000 2.077 468 E HA -0.147 4.203 4.350 -0.000 0.000 0.193 468 E C 1.894 178.591 176.600 0.163 0.000 0.989 468 E CA 1.015 57.576 56.400 0.268 0.000 0.800 468 E CB -0.259 29.643 29.700 0.337 0.000 0.746 468 E HN 0.389 nan 8.360 nan 0.000 0.452 469 L N 0.420 121.743 121.223 0.167 0.000 2.017 469 L HA -0.120 4.220 4.340 -0.000 0.000 0.208 469 L C 2.217 179.146 176.870 0.098 0.000 1.073 469 L CA 2.065 56.974 54.840 0.115 0.000 0.745 469 L CB -1.385 40.743 42.059 0.115 0.000 0.894 469 L HN 0.146 nan 8.230 nan 0.000 0.432 470 A N -0.976 121.906 122.820 0.103 0.000 1.902 470 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 470 A C 2.357 180.004 177.584 0.106 0.000 1.181 470 A CA 1.503 53.601 52.037 0.101 0.000 0.623 470 A CB -0.722 18.331 19.000 0.087 0.000 0.818 470 A HN 0.393 nan 8.150 nan 0.000 0.443 471 L N -0.770 120.517 121.223 0.106 0.000 2.083 471 L HA -0.173 4.167 4.340 -0.000 0.000 0.209 471 L C 2.428 179.317 176.870 0.031 0.000 1.083 471 L CA 1.206 56.106 54.840 0.099 0.000 0.752 471 L CB -0.419 41.741 42.059 0.167 0.000 0.899 471 L HN 0.372 nan 8.230 nan 0.000 0.433 472 I N -0.464 120.122 120.570 0.027 0.000 2.315 472 I HA -0.266 3.904 4.170 -0.000 0.000 0.248 472 I C 1.997 178.065 176.117 -0.081 0.000 1.117 472 I CA 1.012 62.288 61.300 -0.041 0.000 1.404 472 I CB -0.296 37.741 38.000 0.063 0.000 1.071 472 I HN 0.222 nan 8.210 nan 0.000 0.419 473 D N 0.553 120.957 120.400 0.007 0.000 2.149 473 D HA -0.183 4.457 4.640 -0.000 0.000 0.198 473 D C 1.991 178.247 176.300 -0.073 0.000 0.990 473 D CA 1.107 55.126 54.000 0.031 0.000 0.839 473 D CB -0.233 40.648 40.800 0.136 0.000 0.948 473 D HN 0.173 nan 8.370 nan 0.000 0.460 474 L N 0.797 121.973 121.223 -0.077 0.000 2.027 474 L HA -0.046 4.294 4.340 -0.000 0.000 0.206 474 L C 2.097 178.887 176.870 -0.134 0.000 1.074 474 L CA 1.819 56.533 54.840 -0.210 0.000 0.745 474 L CB -0.828 41.231 42.059 -0.001 0.000 0.898 474 L HN -0.022 nan 8.230 nan 0.000 0.433 475 A N -1.033 121.678 122.820 -0.181 0.000 1.908 475 A HA -0.160 4.160 4.320 -0.000 0.000 0.218 475 A C 2.275 179.647 177.584 -0.353 0.000 1.181 475 A CA 2.052 53.888 52.037 -0.336 0.000 0.627 475 A CB -1.174 17.402 19.000 -0.706 0.000 0.818 475 A HN 0.320 nan 8.150 nan 0.000 0.445 476 V N -1.099 118.628 119.914 -0.311 0.000 2.287 476 V HA -0.279 3.841 4.120 -0.000 0.000 0.248 476 V C 2.291 178.333 176.094 -0.087 0.000 1.053 476 V CA 2.243 64.450 62.300 -0.155 0.000 1.027 476 V CB -0.992 30.801 31.823 -0.050 0.000 0.646 476 V HN 0.672 nan 8.190 nan 0.000 0.447 477 F N 0.510 120.268 119.950 -0.321 0.000 2.126 477 F HA -0.255 4.272 4.527 -0.000 0.000 0.299 477 F C 2.505 178.077 175.800 -0.380 0.000 1.096 477 F CA 2.116 59.873 58.000 -0.406 0.000 1.255 477 F CB -0.383 38.015 39.000 -1.003 0.000 0.997 477 F HN 0.276 nan 8.300 nan 0.000 0.479 478 H N -0.006 118.815 119.070 -0.416 0.000 2.524 478 H HA -0.054 4.502 4.556 -0.000 0.000 0.282 478 H C 1.968 177.232 175.328 -0.107 0.000 1.016 478 H CA 1.216 56.918 56.048 -0.576 0.000 1.270 478 H CB -0.167 29.304 29.762 -0.484 0.000 1.394 478 H HN 0.390 nan 8.280 nan 0.000 0.568 479 K N 1.983 122.389 120.400 0.009 0.000 2.418 479 K HA -0.029 4.291 4.320 -0.000 0.000 0.195 479 K C 0.644 177.297 176.600 0.088 0.000 1.035 479 K CA 0.020 56.367 56.287 0.100 0.000 1.003 479 K CB 0.315 32.854 32.500 0.064 0.000 0.793 479 K HN 0.106 nan 8.250 nan 0.000 0.494 480 S N -0.207 115.491 115.700 -0.003 0.000 2.572 480 S HA 0.016 4.485 4.470 -0.000 0.000 0.279 480 S C 0.941 175.547 174.600 0.010 0.000 1.341 480 S CA -0.273 57.906 58.200 -0.034 0.000 1.043 480 S CB 1.400 64.539 63.200 -0.102 0.000 0.887 480 S HN 0.188 nan 8.310 nan 0.000 0.516 481 T N 3.183 117.724 114.554 -0.022 0.000 2.699 481 T HA -0.121 4.229 4.350 -0.000 0.000 0.268 481 T C 1.671 176.358 174.700 -0.021 0.000 1.036 481 T CA 1.921 64.031 62.100 0.017 0.000 1.147 481 T CB -0.581 68.243 68.868 -0.073 0.000 0.862 481 T HN 0.649 nan 8.240 nan 0.000 0.446 482 I N 0.217 120.685 120.570 -0.171 0.000 2.226 482 I HA -0.119 4.051 4.170 -0.000 0.000 0.245 482 I C 2.115 178.177 176.117 -0.092 0.000 1.100 482 I CA 1.298 62.496 61.300 -0.169 0.000 1.374 482 I CB -0.409 37.438 38.000 -0.256 0.000 1.057 482 I HN 0.159 nan 8.210 nan 0.000 0.413 483 F N 1.962 121.763 119.950 -0.247 0.000 2.126 483 F HA -0.269 4.258 4.527 -0.000 0.000 0.299 483 F C 2.395 178.113 175.800 -0.136 0.000 1.096 483 F CA 1.791 59.622 58.000 -0.281 0.000 1.255 483 F CB -0.155 38.480 39.000 -0.609 0.000 0.997 483 F HN -0.158 nan 8.300 nan 0.000 0.479 484 K N 0.165 120.420 120.400 -0.241 0.000 2.211 484 K HA -0.132 4.188 4.320 -0.000 0.000 0.203 484 K C 2.021 178.226 176.600 -0.659 0.000 1.050 484 K CA 1.138 57.118 56.287 -0.511 0.000 0.945 484 K CB -0.074 32.263 32.500 -0.273 0.000 0.732 484 K HN 0.262 nan 8.250 nan 0.000 0.451 485 K N -0.182 120.093 120.400 -0.209 0.000 2.057 485 K HA -0.203 4.117 4.320 -0.000 0.000 0.207 485 K C 2.055 178.499 176.600 -0.260 0.000 1.049 485 K CA 1.551 57.771 56.287 -0.112 0.000 0.931 485 K CB -0.236 32.264 32.500 -0.000 0.000 0.714 485 K HN 0.164 nan 8.250 nan 0.000 0.440 486 Y N 1.734 121.770 120.300 -0.439 0.000 2.181 486 Y HA -0.198 4.353 4.550 0.000 0.000 0.288 486 Y C 1.922 177.505 175.900 -0.529 0.000 1.146 486 Y CA 1.136 58.977 58.100 -0.432 0.000 1.164 486 Y CB -0.261 37.965 38.460 -0.389 0.000 0.982 486 Y HN -0.020 nan 8.280 nan 0.000 0.515 487 L N -0.274 120.438 121.223 -0.852 0.000 2.012 487 L HA -0.243 4.097 4.340 -0.000 0.000 0.210 487 L C 2.554 178.977 176.870 -0.745 0.000 1.073 487 L CA 1.798 56.090 54.840 -0.912 0.000 0.748 487 L CB -0.949 40.458 42.059 -1.087 0.000 0.891 487 L HN 0.436 nan 8.230 nan 0.000 0.431 488 A N -0.340 122.077 122.820 -0.672 0.000 1.902 488 A HA -0.235 4.085 4.320 -0.000 0.000 0.217 488 A C 2.245 179.604 177.584 -0.375 0.000 1.181 488 A CA 1.457 53.192 52.037 -0.503 0.000 0.623 488 A CB -0.748 17.980 19.000 -0.453 0.000 0.818 488 A HN 0.495 nan 8.150 nan 0.000 0.443 489 L N -0.379 120.628 121.223 -0.360 0.000 2.012 489 L HA -0.194 4.146 4.340 -0.000 0.000 0.210 489 L C 2.487 179.166 176.870 -0.317 0.000 1.073 489 L CA 1.741 56.417 54.840 -0.274 0.000 0.748 489 L CB -0.373 41.547 42.059 -0.231 0.000 0.891 489 L HN 0.444 nan 8.230 nan 0.000 0.431 490 L N -0.783 120.143 121.223 -0.496 0.000 2.093 490 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 490 L C 2.417 179.027 176.870 -0.433 0.000 1.085 490 L CA 1.908 56.474 54.840 -0.457 0.000 0.755 490 L CB -0.760 40.946 42.059 -0.589 0.000 0.904 490 L HN 0.471 nan 8.230 nan 0.000 0.435 491 T N -6.678 107.546 114.554 -0.550 0.000 2.990 491 T HA 0.107 4.457 4.350 -0.000 0.000 0.250 491 T C 1.059 175.630 174.700 -0.215 0.000 1.041 491 T CA 0.472 62.159 62.100 -0.687 0.000 1.010 491 T CB 0.536 68.835 68.868 -0.947 0.000 1.003 491 T HN 0.145 nan 8.240 nan 0.000 0.499 492 S N 0.657 116.244 115.700 -0.189 0.000 3.445 492 S HA -0.092 4.378 4.470 -0.000 0.000 0.319 492 S C -0.352 174.202 174.600 -0.077 0.000 1.209 492 S CA 0.275 58.419 58.200 -0.092 0.000 0.934 492 S CB -1.486 61.704 63.200 -0.017 0.000 0.999 492 S HN 0.463 nan 8.310 nan 0.000 0.582 493 L N 0.557 121.692 121.223 -0.148 0.000 2.346 493 L HA 0.529 4.869 4.340 -0.000 0.000 0.274 493 L C 0.192 176.943 176.870 -0.199 0.000 1.007 493 L CA -0.554 54.213 54.840 -0.121 0.000 0.818 493 L CB 1.474 43.474 42.059 -0.099 0.000 1.284 493 L HN 0.349 nan 8.230 nan 0.000 0.424 494 c N 4.413 122.938 118.600 -0.124 0.000 2.239 494 c HA 0.440 5.010 4.570 -0.000 0.000 0.325 494 c C -2.119 171.892 174.090 -0.133 0.000 1.231 494 c CA -1.312 54.938 56.329 -0.132 0.000 1.652 494 c CB 0.721 43.254 42.510 0.038 0.000 2.284 494 c HN 0.539 nan 8.230 nan 0.000 0.499 495 P HA 0.100 nan 4.420 nan 0.000 0.267 495 P C 0.572 177.918 177.300 0.077 0.000 1.205 495 P CA 0.345 63.332 63.100 -0.188 0.000 0.765 495 P CB 0.517 31.928 31.700 -0.482 0.000 0.828 496 V N 0.269 120.270 119.914 0.145 0.000 3.477 496 V HA 0.350 4.470 4.120 -0.000 0.000 0.297 496 V C 0.177 176.378 176.094 0.178 0.000 1.433 496 V CA 0.340 62.745 62.300 0.175 0.000 1.052 496 V CB -0.369 31.536 31.823 0.136 0.000 0.895 496 V HN 0.601 nan 8.190 nan 0.000 0.438 497 S N 0.073 115.906 115.700 0.221 0.000 2.587 497 S HA 0.728 5.198 4.470 -0.000 0.000 0.269 497 S C -1.228 173.539 174.600 0.278 0.000 1.154 497 S CA -0.153 58.168 58.200 0.200 0.000 0.824 497 S CB 2.335 65.617 63.200 0.138 0.000 1.118 497 S HN 0.873 nan 8.310 nan 0.000 0.462 498 E N 0.297 120.596 120.200 0.165 0.000 2.390 498 E HA 0.581 4.931 4.350 -0.000 0.000 0.277 498 E C -1.622 174.950 176.600 -0.047 0.000 0.939 498 E CA -0.854 55.573 56.400 0.045 0.000 0.769 498 E CB 1.941 31.757 29.700 0.194 0.000 1.251 498 E HN 0.751 nan 8.360 nan 0.000 0.450 499 Q N 3.055 122.742 119.800 -0.189 0.000 2.285 499 Q HA 0.490 4.830 4.340 -0.000 0.000 0.269 499 Q C -1.692 174.211 176.000 -0.162 0.000 1.030 499 Q CA -0.671 55.064 55.803 -0.114 0.000 0.788 499 Q CB 1.604 30.278 28.738 -0.108 0.000 1.266 499 Q HN 0.684 nan 8.270 nan 0.000 0.438 500 I N 4.082 124.651 120.570 -0.001 0.000 2.436 500 I HA 0.431 4.601 4.170 -0.000 0.000 0.289 500 I C -1.192 175.017 176.117 0.152 0.000 1.010 500 I CA -0.991 60.316 61.300 0.013 0.000 1.098 500 I CB 1.597 39.609 38.000 0.020 0.000 1.266 500 I HN 0.454 nan 8.210 nan 0.000 0.434 501 L N 6.923 128.191 121.223 0.075 0.000 2.401 501 L HA 0.588 4.928 4.340 -0.000 0.000 0.266 501 L C -0.437 176.511 176.870 0.130 0.000 0.991 501 L CA -0.587 54.345 54.840 0.152 0.000 0.818 501 L CB 2.157 44.270 42.059 0.090 0.000 1.321 501 L HN 0.409 nan 8.230 nan 0.000 0.413 502 I N 3.113 123.799 120.570 0.194 0.000 2.354 502 I HA 0.483 4.652 4.170 -0.000 0.000 0.292 502 I C -0.081 176.215 176.117 0.298 0.000 0.989 502 I CA -0.554 60.865 61.300 0.199 0.000 1.188 502 I CB 1.080 39.176 38.000 0.160 0.000 1.342 502 I HN 0.426 nan 8.210 nan 0.000 0.457 503 R N 5.482 126.141 120.500 0.264 0.000 2.670 503 R HA 0.613 4.953 4.340 -0.000 0.000 0.289 503 R C -0.635 175.697 176.300 0.054 0.000 0.965 503 R CA -0.994 55.198 56.100 0.154 0.000 0.899 503 R CB 2.584 32.809 30.300 -0.124 0.000 1.173 503 R HN 0.476 nan 8.270 nan 0.000 0.456 504 R N 2.823 123.199 120.500 -0.206 0.000 2.439 504 R HA 0.323 4.663 4.340 -0.000 0.000 0.310 504 R C -1.364 174.601 176.300 -0.559 0.000 0.955 504 R CA -0.580 55.160 56.100 -0.601 0.000 0.853 504 R CB 0.970 30.582 30.300 -1.146 0.000 1.171 504 R HN 0.446 nan 8.270 nan 0.000 0.449 505 F N 4.070 123.816 119.950 -0.340 0.000 2.308 505 F HA 0.448 4.975 4.527 0.000 0.000 0.370 505 F C 0.752 176.396 175.800 -0.260 0.000 1.100 505 F CA -0.631 57.229 58.000 -0.234 0.000 1.108 505 F CB 0.990 39.878 39.000 -0.186 0.000 1.293 505 F HN 0.205 nan 8.300 nan 0.000 0.478 506 R N 3.568 123.947 120.500 -0.202 0.000 2.491 506 R HA 0.236 4.576 4.340 -0.000 0.000 0.283 506 R C -2.480 173.674 176.300 -0.243 0.000 1.072 506 R CA -1.667 54.270 56.100 -0.273 0.000 1.048 506 R CB 0.024 29.990 30.300 -0.558 0.000 0.983 506 R HN 0.232 nan 8.270 nan 0.000 0.450 507 P HA -0.045 nan 4.420 nan 0.000 0.260 507 P C 0.473 177.325 177.300 -0.748 0.000 1.185 507 P CA 1.044 63.974 63.100 -0.284 0.000 0.763 507 P CB 0.608 32.273 31.700 -0.058 0.000 0.776 508 G N 2.967 111.191 108.800 -0.961 0.000 2.159 508 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.256 508 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.256 508 G C 0.613 175.215 174.900 -0.497 0.000 0.977 508 G CA 0.224 44.500 45.100 -1.374 0.000 0.652 508 G HN 0.440 nan 8.290 nan 0.000 0.531 509 M N -0.897 118.521 119.600 -0.302 0.000 2.274 509 M HA 0.255 4.735 4.480 -0.000 0.000 0.214 509 M C -0.347 176.087 176.300 0.222 0.000 1.526 509 M CA 0.571 55.861 55.300 -0.017 0.000 1.043 509 M CB 0.053 32.498 32.600 -0.259 0.000 1.505 509 M HN 0.037 nan 8.290 nan 0.000 0.561 510 D N 1.159 121.624 120.400 0.109 0.000 2.198 510 D HA 0.698 5.338 4.640 -0.000 0.000 0.247 510 D C -0.844 175.774 176.300 0.530 0.000 1.010 510 D CA 0.032 54.193 54.000 0.269 0.000 0.880 510 D CB 1.916 42.773 40.800 0.095 0.000 1.209 510 D HN 0.107 nan 8.370 nan 0.000 0.451 511 F N -2.108 118.089 119.950 0.412 0.000 2.799 511 F HA 0.520 5.047 4.527 -0.000 0.000 0.316 511 F C -1.112 174.920 175.800 0.386 0.000 1.155 511 F CA -1.056 57.147 58.000 0.338 0.000 0.916 511 F CB 0.880 40.045 39.000 0.276 0.000 1.294 511 F HN 0.260 nan 8.300 nan 0.000 0.447 512 T N 0.254 115.005 114.554 0.329 0.000 2.907 512 T HA 0.843 5.193 4.350 -0.000 0.000 0.290 512 T C -1.639 173.259 174.700 0.331 0.000 1.066 512 T CA -0.830 61.396 62.100 0.210 0.000 1.012 512 T CB 1.950 70.904 68.868 0.144 0.000 1.184 512 T HN 0.737 nan 8.240 nan 0.000 0.522 513 L N 1.011 122.340 121.223 0.177 0.000 2.319 513 L HA 0.765 5.105 4.340 -0.000 0.000 0.267 513 L C 0.628 177.487 176.870 -0.019 0.000 1.011 513 L CA -1.166 53.671 54.840 -0.004 0.000 0.818 513 L CB 1.232 43.297 42.059 0.010 0.000 1.316 513 L HN 1.091 nan 8.230 nan 0.000 0.432 514 A N 1.096 123.817 122.820 -0.166 0.000 2.526 514 A HA 0.472 4.792 4.320 -0.000 0.000 0.267 514 A C 0.272 177.852 177.584 -0.007 0.000 1.095 514 A CA 0.414 52.454 52.037 0.004 0.000 0.775 514 A CB -1.046 17.927 19.000 -0.046 0.000 1.036 514 A HN 0.746 nan 8.150 nan 0.000 0.510 515 T N 0.668 115.225 114.554 0.006 0.000 2.901 515 T HA 0.655 5.005 4.350 -0.000 0.000 0.293 515 T C -0.407 174.272 174.700 -0.034 0.000 1.084 515 T CA -1.027 61.056 62.100 -0.028 0.000 1.008 515 T CB 1.276 70.114 68.868 -0.049 0.000 1.170 515 T HN 0.577 nan 8.240 nan 0.000 0.509 516 K N 0.419 120.791 120.400 -0.047 0.000 2.090 516 K HA 0.570 4.890 4.320 -0.000 0.000 0.249 516 K C 0.800 177.329 176.600 -0.120 0.000 0.995 516 K CA -0.922 55.328 56.287 -0.062 0.000 0.914 516 K CB 0.734 33.206 32.500 -0.048 0.000 1.057 516 K HN 0.942 nan 8.250 nan 0.000 0.462 517 C N 0.106 119.301 119.300 -0.174 0.000 2.745 517 C HA 0.297 4.757 4.460 -0.000 0.000 0.387 517 C C 0.321 175.071 174.990 -0.400 0.000 1.312 517 C CA -0.813 58.034 59.018 -0.286 0.000 2.204 517 C CB -0.178 27.342 27.740 -0.365 0.000 2.686 517 C HN 0.783 nan 8.230 nan 0.000 0.705 518 R N 1.549 121.821 120.500 -0.382 0.000 2.393 518 R HA 0.558 4.898 4.340 -0.000 0.000 0.315 518 R C -1.294 174.797 176.300 -0.348 0.000 0.952 518 R CA -0.423 55.480 56.100 -0.327 0.000 0.842 518 R CB 0.729 30.931 30.300 -0.163 0.000 1.163 518 R HN 0.790 nan 8.270 nan 0.000 0.450 519 F N 1.574 121.520 119.950 -0.006 0.000 2.380 519 F HA 0.256 4.783 4.527 -0.001 0.000 0.325 519 F C 1.156 176.952 175.800 -0.007 0.000 1.136 519 F CA -0.549 57.451 58.000 0.001 0.000 1.171 519 F CB 0.432 39.435 39.000 0.006 0.000 1.230 519 F HN 0.342 nan 8.300 nan 0.000 0.554 520 N N 1.925 120.743 118.700 0.196 0.000 2.422 520 N HA 0.029 4.769 4.740 -0.000 0.000 0.266 520 N C 0.817 176.385 175.510 0.097 0.000 1.007 520 N CA -0.249 52.864 53.050 0.105 0.000 0.941 520 N CB 0.863 39.392 38.487 0.070 0.000 1.115 520 N HN 0.651 nan 8.380 nan 0.000 0.492 521 E N 3.517 123.757 120.200 0.067 0.000 2.409 521 E HA -0.158 4.192 4.350 -0.000 0.000 0.198 521 E C 1.372 177.988 176.600 0.027 0.000 1.024 521 E CA 0.323 56.748 56.400 0.042 0.000 0.861 521 E CB -0.116 29.602 29.700 0.030 0.000 0.788 521 E HN 0.493 nan 8.360 nan 0.000 0.521 522 L N 0.133 121.374 121.223 0.031 0.000 2.201 522 L HA -0.063 4.277 4.340 -0.000 0.000 0.212 522 L C 1.710 178.597 176.870 0.030 0.000 1.105 522 L CA 1.036 55.892 54.840 0.026 0.000 0.775 522 L CB 0.010 42.086 42.059 0.027 0.000 0.913 522 L HN 0.055 nan 8.230 nan 0.000 0.440 523 L N -1.779 119.467 121.223 0.038 0.000 2.693 523 L HA 0.153 4.493 4.340 -0.000 0.000 0.235 523 L C 1.861 178.741 176.870 0.016 0.000 1.127 523 L CA 0.204 55.067 54.840 0.038 0.000 0.914 523 L CB -0.232 41.863 42.059 0.060 0.000 1.193 523 L HN -0.009 nan 8.230 nan 0.000 0.502 524 K N 0.183 120.584 120.400 0.002 0.000 2.147 524 K HA -0.020 4.300 4.320 -0.000 0.000 0.205 524 K C 1.894 178.471 176.600 -0.038 0.000 1.049 524 K CA 1.416 57.680 56.287 -0.037 0.000 0.936 524 K CB -0.067 32.412 32.500 -0.036 0.000 0.722 524 K HN 0.179 nan 8.250 nan 0.000 0.446 525 S N -0.009 115.681 115.700 -0.017 0.000 2.558 525 S HA 0.017 4.487 4.470 -0.000 0.000 0.217 525 S C 0.279 174.873 174.600 -0.010 0.000 0.975 525 S CA -0.195 57.995 58.200 -0.015 0.000 0.912 525 S CB -0.441 62.755 63.200 -0.007 0.000 0.776 525 S HN 0.414 nan 8.310 nan 0.000 0.526 526 N N 2.839 121.537 118.700 -0.004 0.000 2.431 526 N HA 0.084 4.824 4.740 -0.000 0.000 0.265 526 N C -1.603 173.904 175.510 -0.006 0.000 1.184 526 N CA -1.417 51.635 53.050 0.003 0.000 0.943 526 N CB 1.018 39.515 38.487 0.017 0.000 1.080 526 N HN 0.017 nan 8.380 nan 0.000 0.477 527 P HA -0.041 nan 4.420 nan 0.000 0.227 527 P C -0.049 177.247 177.300 -0.006 0.000 1.161 527 P CA 0.849 63.942 63.100 -0.012 0.000 0.788 527 P CB 0.397 32.091 31.700 -0.010 0.000 0.822 528 D N 0.384 120.786 120.400 0.004 0.000 2.183 528 D HA -0.007 4.632 4.640 -0.000 0.000 0.203 528 D C 1.103 177.412 176.300 0.015 0.000 0.969 528 D CA 0.569 54.575 54.000 0.011 0.000 0.842 528 D CB -0.005 40.806 40.800 0.019 0.000 0.957 528 D HN 0.272 nan 8.370 nan 0.000 0.484 529 I N 3.259 123.838 120.570 0.015 0.000 2.505 529 I HA -0.055 4.115 4.170 -0.000 0.000 0.287 529 I C 0.659 176.780 176.117 0.006 0.000 1.104 529 I CA -0.387 60.928 61.300 0.024 0.000 1.387 529 I CB 0.561 38.581 38.000 0.032 0.000 1.404 529 I HN -0.208 nan 8.210 nan 0.000 0.528 530 I N 6.125 126.710 120.570 0.025 0.000 2.775 530 I HA -0.107 4.063 4.170 -0.000 0.000 0.290 530 I C 0.847 176.965 176.117 0.002 0.000 1.203 530 I CA 0.431 61.744 61.300 0.022 0.000 1.433 530 I CB -0.142 37.891 38.000 0.056 0.000 1.354 530 I HN 0.530 nan 8.210 nan 0.000 0.579 531 D N 6.018 126.381 120.400 -0.062 0.000 2.885 531 D HA 0.391 5.031 4.640 -0.000 0.000 0.234 531 D C 0.238 176.560 176.300 0.036 0.000 1.129 531 D CA 0.329 54.201 54.000 -0.213 0.000 0.991 531 D CB 0.102 40.752 40.800 -0.250 0.000 1.137 531 D HN 0.623 nan 8.370 nan 0.000 0.459 532 A N -0.393 122.602 122.820 0.292 0.000 2.604 532 A HA 0.550 4.870 4.320 -0.000 0.000 0.295 532 A C -1.038 176.770 177.584 0.373 0.000 1.067 532 A CA -0.659 51.623 52.037 0.407 0.000 0.683 532 A CB 1.484 20.603 19.000 0.199 0.000 1.281 532 A HN 0.001 nan 8.150 nan 0.000 0.407 533 V N 1.716 121.766 119.914 0.228 0.000 2.417 533 V HA 0.488 4.608 4.120 -0.000 0.000 0.291 533 V C -0.417 175.764 176.094 0.145 0.000 1.024 533 V CA -0.504 61.877 62.300 0.134 0.000 0.861 533 V CB 1.302 33.110 31.823 -0.024 0.000 0.985 533 V HN 0.823 nan 8.190 nan 0.000 0.436 534 L N 4.540 125.892 121.223 0.215 0.000 2.290 534 L HA 0.546 4.886 4.340 -0.000 0.000 0.284 534 L C -0.061 176.997 176.870 0.314 0.000 1.078 534 L CA 0.558 55.563 54.840 0.275 0.000 0.815 534 L CB 0.980 43.226 42.059 0.312 0.000 1.162 534 L HN 0.819 nan 8.230 nan 0.000 0.435 535 E N 3.003 123.324 120.200 0.201 0.000 2.241 535 E HA 0.619 4.969 4.350 -0.000 0.000 0.263 535 E C -0.857 175.762 176.600 0.031 0.000 0.882 535 E CA -0.697 55.747 56.400 0.073 0.000 0.769 535 E CB 1.391 31.122 29.700 0.051 0.000 1.185 535 E HN 0.823 nan 8.360 nan 0.000 0.415 536 G N 1.862 110.647 108.800 -0.025 0.000 2.400 536 G HA2 0.540 4.500 3.960 -0.000 0.000 0.333 536 G HA3 0.540 4.500 3.960 -0.000 0.000 0.333 536 G C -0.820 173.904 174.900 -0.293 0.000 1.143 536 G CA -0.347 44.629 45.100 -0.206 0.000 0.914 536 G HN 0.392 nan 8.290 nan 0.000 0.480 537 T N 1.883 116.144 114.554 -0.488 0.000 2.965 537 T HA 0.298 4.648 4.350 -0.000 0.000 0.306 537 T C -0.521 174.022 174.700 -0.262 0.000 0.991 537 T CA -0.327 61.605 62.100 -0.280 0.000 1.001 537 T CB 1.244 69.998 68.868 -0.190 0.000 0.984 537 T HN 0.389 nan 8.240 nan 0.000 0.446 538 L N 3.161 124.347 121.223 -0.062 0.000 2.259 538 L HA 0.515 4.855 4.340 -0.000 0.000 0.288 538 L C -0.080 176.767 176.870 -0.038 0.000 1.051 538 L CA -0.567 54.296 54.840 0.039 0.000 0.824 538 L CB 0.185 42.300 42.059 0.093 0.000 1.206 538 L HN 0.766 nan 8.230 nan 0.000 0.429 539 C N 6.013 125.266 119.300 -0.078 0.000 2.415 539 C HA 0.431 4.891 4.460 -0.000 0.000 0.369 539 C C 0.519 175.407 174.990 -0.171 0.000 1.279 539 C CA -0.560 58.404 59.018 -0.091 0.000 1.886 539 C CB -0.325 27.350 27.740 -0.109 0.000 2.468 539 C HN 0.806 nan 8.230 nan 0.000 0.553 540 L N 6.125 127.292 121.223 -0.093 0.000 2.839 540 L HA 0.247 4.587 4.340 -0.000 0.000 0.259 540 L C 0.175 177.224 176.870 0.300 0.000 1.369 540 L CA 0.237 54.915 54.840 -0.270 0.000 0.845 540 L CB 0.480 42.351 42.059 -0.312 0.000 1.181 540 L HN 0.672 nan 8.230 nan 0.000 0.529 541 T N 1.395 116.168 114.554 0.365 0.000 2.753 541 T HA 0.248 4.598 4.350 -0.000 0.000 0.297 541 T C -1.710 173.343 174.700 0.587 0.000 0.981 541 T CA -1.073 61.295 62.100 0.447 0.000 0.956 541 T CB 1.481 70.408 68.868 0.097 0.000 0.936 541 T HN 0.111 nan 8.240 nan 0.000 0.463 542 P HA 0.061 nan 4.420 nan 0.000 0.245 542 P C 0.416 177.840 177.300 0.206 0.000 1.203 542 P CA 0.033 63.251 63.100 0.196 0.000 0.792 542 P CB 0.261 31.919 31.700 -0.070 0.000 0.997 543 S N -0.596 115.333 115.700 0.381 0.000 2.672 543 S HA 0.731 5.201 4.470 -0.000 0.000 0.276 543 S C 0.224 175.078 174.600 0.423 0.000 1.207 543 S CA -0.634 57.768 58.200 0.337 0.000 1.002 543 S CB 1.655 65.039 63.200 0.308 0.000 0.998 543 S HN 0.193 nan 8.310 nan 0.000 0.542 544 A N -0.017 122.930 122.820 0.212 0.000 2.373 544 A HA 0.888 5.208 4.320 -0.000 0.000 0.291 544 A C 1.089 178.679 177.584 0.010 0.000 1.171 544 A CA -0.458 51.701 52.037 0.204 0.000 0.922 544 A CB -0.208 18.871 19.000 0.131 0.000 1.400 544 A HN 2.356 nan 8.150 nan 0.000 0.474 545 G N -2.844 105.988 108.800 0.054 0.000 2.176 545 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.253 545 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.253 545 G C 0.732 175.617 174.900 -0.026 0.000 0.979 545 G CA 0.858 45.941 45.100 -0.028 0.000 0.641 545 G HN 0.733 nan 8.290 nan 0.000 0.530 546 W N 0.386 121.735 121.300 0.082 0.000 2.332 546 W HA 0.159 4.819 4.660 -0.000 0.000 0.321 546 W C 2.455 179.027 176.519 0.090 0.000 1.219 546 W CA 1.789 59.187 57.345 0.089 0.000 1.277 546 W CB -0.335 29.179 29.460 0.091 0.000 1.161 546 W HN 0.429 nan 8.180 nan 0.000 0.476 547 E N 0.186 120.571 120.200 0.309 0.000 2.047 547 E HA -0.206 4.144 4.350 -0.000 0.000 0.191 547 E C 2.370 179.049 176.600 0.132 0.000 0.987 547 E CA 2.051 58.565 56.400 0.189 0.000 0.799 547 E CB -0.208 29.578 29.700 0.143 0.000 0.752 547 E HN 0.199 nan 8.360 nan 0.000 0.449 548 S N -0.780 114.986 115.700 0.110 0.000 2.371 548 S HA -0.036 4.434 4.470 -0.000 0.000 0.224 548 S C 2.106 176.747 174.600 0.069 0.000 1.029 548 S CA 0.852 59.098 58.200 0.078 0.000 0.978 548 S CB -0.349 62.889 63.200 0.063 0.000 0.833 548 S HN 0.279 nan 8.310 nan 0.000 0.466 549 G N 0.646 109.480 108.800 0.057 0.000 2.848 549 G HA2 0.157 4.117 3.960 -0.000 0.000 0.208 549 G HA3 0.157 4.117 3.960 -0.000 0.000 0.208 549 G C 0.052 175.001 174.900 0.080 0.000 1.152 549 G CA -0.011 45.115 45.100 0.043 0.000 0.789 549 G HN 0.644 nan 8.290 nan 0.000 0.531 550 E N -0.812 119.461 120.200 0.120 0.000 2.183 550 E HA -0.181 4.169 4.350 -0.000 0.000 0.196 550 E C 0.811 177.535 176.600 0.206 0.000 1.364 550 E CA -0.148 56.358 56.400 0.178 0.000 0.700 550 E CB -1.267 28.531 29.700 0.163 0.000 1.106 550 E HN 0.445 nan 8.360 nan 0.000 0.347 551 L N -0.164 121.179 121.223 0.201 0.000 2.612 551 L HA 0.163 4.503 4.340 -0.000 0.000 0.230 551 L C 1.494 178.525 176.870 0.269 0.000 1.140 551 L CA 0.333 55.247 54.840 0.123 0.000 0.896 551 L CB -0.559 41.372 42.059 -0.214 0.000 1.065 551 L HN 0.634 nan 8.230 nan 0.000 0.447 552 G N 0.452 109.479 108.800 0.378 0.000 2.601 552 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.252 552 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.252 552 G C 0.748 175.794 174.900 0.244 0.000 1.294 552 G CA -0.162 45.099 45.100 0.270 0.000 0.912 552 G HN 0.673 nan 8.290 nan 0.000 0.574 553 G N -2.429 106.305 108.800 -0.110 0.000 2.189 553 G HA2 -0.020 3.940 3.960 -0.000 0.000 0.267 553 G HA3 -0.020 3.940 3.960 -0.000 0.000 0.267 553 G C 0.576 175.222 174.900 -0.424 0.000 0.975 553 G CA 1.622 46.538 45.100 -0.305 0.000 0.644 553 G HN 2.344 nan 8.290 nan 0.000 0.537 554 Y N -0.065 120.110 120.300 -0.209 0.000 2.346 554 Y HA 0.690 5.240 4.550 0.000 0.000 0.330 554 Y C 0.511 176.185 175.900 -0.377 0.000 1.178 554 Y CA -0.935 57.012 58.100 -0.255 0.000 1.331 554 Y CB 0.825 39.198 38.460 -0.144 0.000 1.253 554 Y HN 0.271 nan 8.280 nan 0.000 0.529 555 E N 4.116 124.209 120.200 -0.178 0.000 2.229 555 E HA 0.264 4.614 4.350 -0.000 0.000 0.283 555 E C -1.592 174.876 176.600 -0.220 0.000 1.030 555 E CA -0.710 55.515 56.400 -0.291 0.000 0.836 555 E CB 0.754 30.326 29.700 -0.213 0.000 1.068 555 E HN 0.692 nan 8.360 nan 0.000 0.401 556 L N 6.692 127.627 121.223 -0.479 0.000 2.349 556 L HA 0.403 4.743 4.340 -0.000 0.000 0.278 556 L C -1.801 174.822 176.870 -0.413 0.000 0.996 556 L CA -0.629 53.969 54.840 -0.404 0.000 0.825 556 L CB 0.839 42.479 42.059 -0.698 0.000 1.243 556 L HN 0.674 nan 8.230 nan 0.000 0.412 557 Y N 5.762 125.978 120.300 -0.140 0.000 2.352 557 Y HA 0.665 5.215 4.550 -0.000 0.000 0.339 557 Y C 0.529 176.408 175.900 -0.035 0.000 0.992 557 Y CA -0.561 57.492 58.100 -0.077 0.000 1.100 557 Y CB 1.940 40.354 38.460 -0.077 0.000 1.192 557 Y HN 0.615 nan 8.280 nan 0.000 0.458 558 M N 1.912 121.597 119.600 0.141 0.000 2.520 558 M HA 0.617 5.097 4.480 -0.000 0.000 0.283 558 M C -1.749 174.603 176.300 0.087 0.000 1.237 558 M CA -1.040 54.321 55.300 0.100 0.000 0.885 558 M CB 2.096 34.752 32.600 0.094 0.000 1.727 558 M HN 0.274 nan 8.290 nan 0.000 0.468 559 M N 1.874 121.511 119.600 0.061 0.000 2.242 559 M HA 0.258 4.738 4.480 -0.000 0.000 0.344 559 M C 0.125 176.451 176.300 0.044 0.000 1.140 559 M CA 0.145 55.474 55.300 0.048 0.000 1.160 559 M CB -0.133 32.486 32.600 0.032 0.000 1.491 559 M HN 0.771 nan 8.290 nan 0.000 0.459 587 S N 0.706 116.417 115.700 0.018 0.000 2.593 587 S HA 0.157 4.627 4.470 -0.000 0.000 0.217 587 S C 0.671 175.289 174.600 0.029 0.000 0.966 587 S CA -0.222 57.992 58.200 0.023 0.000 0.914 587 S CB 0.098 63.316 63.200 0.030 0.000 0.776 587 S HN 0.239 nan 8.310 nan 0.000 0.523 588 V N 3.058 122.986 119.914 0.024 0.000 2.455 588 V HA 0.245 4.365 4.120 -0.000 0.000 0.273 588 V C 1.112 177.216 176.094 0.017 0.000 1.045 588 V CA -0.217 62.099 62.300 0.026 0.000 0.976 588 V CB 0.741 32.570 31.823 0.011 0.000 0.993 588 V HN 0.446 nan 8.190 nan 0.000 0.475 589 L N 5.333 126.575 121.223 0.031 0.000 2.145 589 L HA 0.253 4.593 4.340 -0.000 0.000 0.201 589 L C 0.261 177.130 176.870 -0.002 0.000 1.075 589 L CA 0.987 55.831 54.840 0.007 0.000 0.773 589 L CB 0.083 42.141 42.059 -0.002 0.000 0.936 589 L HN 0.420 nan 8.230 nan 0.000 0.451 590 I N 0.010 120.603 120.570 0.039 0.000 2.533 590 I HA 0.295 4.464 4.170 -0.000 0.000 0.290 590 I C -1.084 175.041 176.117 0.014 0.000 1.056 590 I CA -0.328 60.990 61.300 0.029 0.000 1.057 590 I CB 1.631 39.676 38.000 0.076 0.000 1.240 590 I HN 0.037 nan 8.210 nan 0.000 0.423 591 N N 4.115 122.795 118.700 -0.034 0.000 2.664 591 N HA 0.269 5.009 4.740 -0.000 0.000 0.257 591 N C -1.610 173.852 175.510 -0.081 0.000 1.108 591 N CA -0.223 52.773 53.050 -0.091 0.000 0.822 591 N CB 1.017 39.405 38.487 -0.165 0.000 1.199 591 N HN 0.444 nan 8.380 nan 0.000 0.529 592 D N 3.096 123.471 120.400 -0.041 0.000 2.441 592 D HA 0.420 5.060 4.640 -0.000 0.000 0.231 592 D C -2.389 173.902 176.300 -0.015 0.000 1.073 592 D CA -1.396 52.584 54.000 -0.033 0.000 0.850 592 D CB 1.812 42.586 40.800 -0.043 0.000 1.062 592 D HN 0.270 nan 8.370 nan 0.000 0.524 593 P HA 0.138 nan 4.420 nan 0.000 0.269 593 P C -2.521 174.691 177.300 -0.146 0.000 1.209 593 P CA -1.037 62.077 63.100 0.022 0.000 0.776 593 P CB 0.066 31.832 31.700 0.110 0.000 0.876 594 P HA 0.223 nan 4.420 nan 0.000 0.268 594 P C -0.787 176.294 177.300 -0.365 0.000 1.204 594 P CA 0.535 63.294 63.100 -0.570 0.000 0.768 594 P CB 0.382 31.357 31.700 -1.209 0.000 0.842 595 A N 2.970 125.704 122.820 -0.143 0.000 2.524 595 A HA 0.597 4.917 4.320 -0.000 0.000 0.289 595 A C -1.756 175.914 177.584 0.144 0.000 1.248 595 A CA -0.714 51.350 52.037 0.045 0.000 0.712 595 A CB 1.112 20.155 19.000 0.071 0.000 1.312 595 A HN 0.616 nan 8.150 nan 0.000 0.441 596 W N 1.876 123.208 121.300 0.054 0.000 2.331 596 W HA 0.347 5.007 4.660 0.000 0.000 0.306 596 W C 0.342 176.918 176.519 0.094 0.000 1.162 596 W CA 0.315 57.704 57.345 0.074 0.000 1.232 596 W CB 0.717 30.224 29.460 0.079 0.000 1.235 596 W HN 0.999 nan 8.180 nan 0.000 0.479 597 N N 3.769 122.007 118.700 -0.770 0.000 2.758 597 N HA -0.217 4.523 4.740 -0.000 0.000 0.248 597 N C -0.706 174.763 175.510 -0.069 0.000 1.076 597 N CA 0.921 53.674 53.050 -0.495 0.000 0.696 597 N CB -0.712 37.508 38.487 -0.444 0.000 0.979 597 N HN 0.469 nan 8.380 nan 0.000 0.550 598 T N -1.686 112.840 114.554 -0.047 0.000 2.929 598 T HA 0.622 4.972 4.350 -0.000 0.000 0.284 598 T C -0.555 174.171 174.700 0.043 0.000 1.014 598 T CA -0.726 61.396 62.100 0.035 0.000 1.051 598 T CB 1.859 70.729 68.868 0.003 0.000 1.028 598 T HN 0.264 nan 8.240 nan 0.000 0.485 599 F N 2.283 122.126 119.950 -0.178 0.000 2.539 599 F HA 0.525 5.052 4.527 0.000 0.000 0.328 599 F C -1.067 174.600 175.800 -0.221 0.000 1.148 599 F CA -1.046 56.751 58.000 -0.338 0.000 0.940 599 F CB 1.398 39.872 39.000 -0.876 0.000 1.194 599 F HN 0.530 nan 8.300 nan 0.000 0.438 600 N N 6.351 124.666 118.700 -0.642 0.000 2.430 600 N HA 0.477 5.217 4.740 -0.000 0.000 0.292 600 N C -1.442 173.612 175.510 -0.759 0.000 1.051 600 N CA -0.337 52.401 53.050 -0.521 0.000 0.917 600 N CB 2.315 40.628 38.487 -0.290 0.000 1.164 600 N HN 0.658 nan 8.380 nan 0.000 0.484 601 L N 2.341 123.296 121.223 -0.447 0.000 2.376 601 L HA 0.536 4.876 4.340 -0.000 0.000 0.275 601 L C -1.346 175.435 176.870 -0.149 0.000 0.987 601 L CA -0.763 53.912 54.840 -0.274 0.000 0.828 601 L CB 1.630 43.635 42.059 -0.089 0.000 1.249 601 L HN 0.149 nan 8.230 nan 0.000 0.409 602 V N 5.201 125.014 119.914 -0.167 0.000 2.577 602 V HA 0.306 4.426 4.120 -0.000 0.000 0.303 602 V C -0.347 175.723 176.094 -0.041 0.000 1.042 602 V CA -0.659 61.500 62.300 -0.235 0.000 0.872 602 V CB 2.312 33.691 31.823 -0.739 0.000 0.998 602 V HN 0.531 nan 8.190 nan 0.000 0.423 603 L N 6.619 127.856 121.223 0.023 0.000 2.295 603 L HA 0.497 4.837 4.340 -0.000 0.000 0.288 603 L C 0.355 177.235 176.870 0.015 0.000 1.079 603 L CA 0.291 55.177 54.840 0.077 0.000 0.830 603 L CB 0.198 42.322 42.059 0.109 0.000 1.200 603 L HN 0.578 nan 8.230 nan 0.000 0.438 604 R N 3.219 123.750 120.500 0.051 0.000 2.229 604 R HA 0.363 4.703 4.340 -0.000 0.000 0.328 604 R C -0.467 175.898 176.300 0.109 0.000 1.009 604 R CA -0.733 55.403 56.100 0.059 0.000 0.864 604 R CB 0.582 30.924 30.300 0.070 0.000 1.085 604 R HN 0.682 nan 8.270 nan 0.000 0.453 605 D N 0.702 121.168 120.400 0.110 0.000 2.433 605 D HA -0.057 4.583 4.640 -0.000 0.000 0.255 605 D C 0.798 177.217 176.300 0.199 0.000 1.226 605 D CA -0.705 53.405 54.000 0.183 0.000 1.015 605 D CB 0.549 41.417 40.800 0.115 0.000 1.091 605 D HN 0.597 nan 8.370 nan 0.000 0.527 606 E N -0.962 119.416 120.200 0.297 0.000 2.267 606 E HA -0.241 4.109 4.350 -0.000 0.000 0.197 606 E C 1.130 177.799 176.600 0.115 0.000 0.998 606 E CA 1.405 57.958 56.400 0.255 0.000 0.830 606 E CB -0.356 29.531 29.700 0.312 0.000 0.751 606 E HN 0.357 nan 8.360 nan 0.000 0.491 607 S N 0.123 115.879 115.700 0.093 0.000 2.557 607 S HA 0.191 4.661 4.470 -0.000 0.000 0.223 607 S C 0.339 174.973 174.600 0.058 0.000 0.969 607 S CA -0.657 57.581 58.200 0.063 0.000 0.927 607 S CB 0.383 63.615 63.200 0.052 0.000 0.806 607 S HN 0.068 nan 8.310 nan 0.000 0.489 608 V N 2.702 122.656 119.914 0.067 0.000 2.407 608 V HA 0.450 4.570 4.120 -0.000 0.000 0.278 608 V C -0.130 176.013 176.094 0.081 0.000 1.037 608 V CA -0.624 61.729 62.300 0.088 0.000 0.900 608 V CB 1.109 33.002 31.823 0.116 0.000 0.983 608 V HN 0.451 nan 8.190 nan 0.000 0.459 609 L N 4.521 125.792 121.223 0.080 0.000 2.334 609 L HA 0.695 5.035 4.340 -0.000 0.000 0.275 609 L C 0.073 176.941 176.870 -0.003 0.000 1.036 609 L CA -0.147 54.722 54.840 0.049 0.000 0.807 609 L CB 1.502 43.603 42.059 0.069 0.000 1.231 609 L HN 0.600 nan 8.230 nan 0.000 0.438 610 E N 3.058 123.206 120.200 -0.086 0.000 2.314 610 E HA 0.527 4.877 4.350 -0.000 0.000 0.272 610 E C -1.812 174.740 176.600 -0.080 0.000 0.884 610 E CA -0.484 55.709 56.400 -0.344 0.000 0.753 610 E CB 2.621 31.914 29.700 -0.678 0.000 1.213 610 E HN 0.365 nan 8.360 nan 0.000 0.432 611 F N 0.865 120.634 119.950 -0.303 0.000 2.741 611 F HA 0.617 5.143 4.527 -0.001 0.000 0.313 611 F C -1.709 173.923 175.800 -0.280 0.000 1.153 611 F CA -1.149 56.718 58.000 -0.221 0.000 0.931 611 F CB 0.934 39.865 39.000 -0.116 0.000 1.335 611 F HN 0.082 nan 8.300 nan 0.000 0.460 612 V N 1.995 121.783 119.914 -0.209 0.000 2.448 612 V HA 0.626 4.746 4.120 -0.000 0.000 0.295 612 V C -0.451 175.518 176.094 -0.208 0.000 1.025 612 V CA -0.756 61.255 62.300 -0.482 0.000 0.859 612 V CB 1.252 32.599 31.823 -0.794 0.000 0.988 612 V HN 1.030 nan 8.190 nan 0.000 0.431 613 K N 5.535 125.665 120.400 -0.449 0.000 2.448 613 K HA 0.149 4.469 4.320 -0.000 0.000 0.278 613 K C -0.365 176.191 176.600 -0.073 0.000 1.009 613 K CA 0.002 56.168 56.287 -0.201 0.000 0.995 613 K CB -0.051 31.914 32.500 -0.892 0.000 0.917 613 K HN 0.880 nan 8.250 nan 0.000 0.481 614 Y N 3.523 123.837 120.300 0.023 0.000 3.083 614 Y HA -0.050 4.500 4.550 -0.000 0.000 0.350 614 Y C -0.621 175.259 175.900 -0.033 0.000 1.266 614 Y CA 0.357 58.470 58.100 0.021 0.000 1.594 614 Y CB 0.266 38.620 38.460 -0.176 0.000 1.179 614 Y HN 0.273 nan 8.280 nan 0.000 0.602 615 V N 8.060 127.596 119.914 -0.630 0.000 2.385 615 V HA 0.114 4.234 4.120 -0.000 0.000 0.269 615 V C 0.383 175.985 176.094 -0.819 0.000 1.043 615 V CA -0.291 61.742 62.300 -0.445 0.000 0.906 615 V CB 0.879 32.632 31.823 -0.118 0.000 0.995 615 V HN 0.901 nan 8.190 nan 0.000 0.467 616 S N 3.886 119.348 115.700 -0.396 0.000 2.568 616 S HA 0.033 4.503 4.470 -0.000 0.000 0.282 616 S C 0.841 175.378 174.600 -0.106 0.000 1.338 616 S CA -0.075 58.019 58.200 -0.177 0.000 1.045 616 S CB 0.273 63.512 63.200 0.064 0.000 0.873 616 S HN 0.673 nan 8.310 nan 0.000 0.516 617 W N 2.686 124.002 121.300 0.028 0.000 2.341 617 W HA -0.105 4.555 4.660 -0.000 0.000 0.283 617 W C 2.618 179.147 176.519 0.015 0.000 1.215 617 W CA 1.054 58.437 57.345 0.062 0.000 1.211 617 W CB -0.242 29.289 29.460 0.119 0.000 1.131 617 W HN 0.659 nan 8.180 nan 0.000 0.552 618 S N -0.367 115.460 115.700 0.212 0.000 2.522 618 S HA 0.143 4.612 4.470 -0.000 0.000 0.227 618 S C 1.110 175.677 174.600 -0.055 0.000 0.986 618 S CA 0.277 58.529 58.200 0.086 0.000 0.929 618 S CB -0.575 62.662 63.200 0.062 0.000 0.769 618 S HN 0.153 nan 8.310 nan 0.000 0.529 619 A N 1.460 124.187 122.820 -0.154 0.000 2.540 619 A HA 0.183 4.503 4.320 -0.000 0.000 0.239 619 A C 0.943 178.420 177.584 -0.178 0.000 1.061 619 A CA 0.063 51.865 52.037 -0.391 0.000 0.758 619 A CB 0.185 18.867 19.000 -0.530 0.000 0.991 619 A HN 0.211 nan 8.150 nan 0.000 0.502 620 K N 0.551 120.828 120.400 -0.204 0.000 2.459 620 K HA 0.069 4.389 4.320 -0.000 0.000 0.193 620 K C 0.525 177.177 176.600 0.086 0.000 1.030 620 K CA 0.991 57.259 56.287 -0.032 0.000 1.026 620 K CB 0.084 32.563 32.500 -0.034 0.000 0.809 620 K HN 0.862 nan 8.250 nan 0.000 0.504 621 S N -2.409 113.386 115.700 0.159 0.000 2.643 621 S HA 0.448 4.918 4.470 -0.000 0.000 0.270 621 S C -0.533 174.305 174.600 0.397 0.000 1.166 621 S CA -1.087 57.301 58.200 0.314 0.000 0.815 621 S CB 1.315 64.760 63.200 0.409 0.000 1.139 621 S HN -0.098 nan 8.310 nan 0.000 0.472 622 S N 0.873 116.793 115.700 0.367 0.000 2.589 622 S HA 0.358 4.828 4.470 -0.000 0.000 0.265 622 S C 0.216 175.026 174.600 0.350 0.000 1.342 622 S CA -0.594 57.732 58.200 0.211 0.000 1.005 622 S CB 0.095 63.169 63.200 -0.211 0.000 0.909 622 S HN 0.675 nan 8.310 nan 0.000 0.555 623 R N 0.913 121.524 120.500 0.185 0.000 2.216 623 R HA 0.156 4.496 4.340 -0.000 0.000 0.332 623 R C -1.738 174.641 176.300 0.133 0.000 1.056 623 R CA -0.198 55.944 56.100 0.071 0.000 0.901 623 R CB 0.245 30.434 30.300 -0.185 0.000 1.039 623 R HN 0.550 nan 8.270 nan 0.000 0.456 624 W N 4.609 125.995 121.300 0.144 0.000 2.478 624 W HA 0.250 4.909 4.660 -0.000 0.000 0.318 624 W C -0.311 176.269 176.519 0.102 0.000 1.062 624 W CA -0.121 57.327 57.345 0.173 0.000 1.210 624 W CB 1.428 31.011 29.460 0.205 0.000 1.325 624 W HN 0.646 nan 8.180 nan 0.000 0.496 625 D N -0.287 120.307 120.400 0.324 0.000 2.643 625 D HA 0.594 5.234 4.640 -0.000 0.000 0.283 625 D C -1.876 174.512 176.300 0.147 0.000 1.242 625 D CA -0.832 53.271 54.000 0.171 0.000 0.863 625 D CB 1.260 42.099 40.800 0.064 0.000 1.382 625 D HN 0.036 nan 8.370 nan 0.000 0.444 626 V N 0.110 120.057 119.914 0.054 0.000 2.444 626 V HA 0.551 4.671 4.120 -0.000 0.000 0.294 626 V C -0.440 175.621 176.094 -0.054 0.000 1.022 626 V CA -0.802 61.502 62.300 0.008 0.000 0.850 626 V CB 1.124 32.922 31.823 -0.042 0.000 0.992 626 V HN 0.654 nan 8.190 nan 0.000 0.426 627 K N 5.643 126.005 120.400 -0.063 0.000 2.185 627 K HA 0.781 5.101 4.320 -0.000 0.000 0.269 627 K C -0.919 175.565 176.600 -0.193 0.000 0.987 627 K CA -0.177 56.039 56.287 -0.119 0.000 0.865 627 K CB 1.202 33.642 32.500 -0.101 0.000 1.090 627 K HN 0.670 nan 8.250 nan 0.000 0.450 628 M N 3.616 123.033 119.600 -0.305 0.000 2.393 628 M HA 0.454 4.934 4.480 -0.000 0.000 0.299 628 M C -1.010 174.800 176.300 -0.817 0.000 1.103 628 M CA -0.610 54.321 55.300 -0.615 0.000 0.910 628 M CB 2.559 34.735 32.600 -0.706 0.000 1.659 628 M HN 0.339 nan 8.290 nan 0.000 0.445 629 K N 2.428 122.272 120.400 -0.927 0.000 2.482 629 K HA 0.606 4.926 4.320 -0.000 0.000 0.251 629 K C -1.939 174.287 176.600 -0.622 0.000 0.936 629 K CA -0.707 55.217 56.287 -0.605 0.000 0.791 629 K CB 2.478 34.806 32.500 -0.287 0.000 1.213 629 K HN 0.594 nan 8.250 nan 0.000 0.428 630 W N 2.077 123.393 121.300 0.027 0.000 2.883 630 W HA 0.277 4.937 4.660 -0.001 0.000 0.335 630 W C -0.554 175.987 176.519 0.036 0.000 1.083 630 W CA -0.734 56.629 57.345 0.030 0.000 1.233 630 W CB 1.576 31.043 29.460 0.013 0.000 1.412 630 W HN 0.432 nan 8.180 nan 0.000 0.490 631 D N 2.088 122.643 120.400 0.260 0.000 2.345 631 D HA 0.308 4.948 4.640 -0.000 0.000 0.247 631 D C 0.003 176.412 176.300 0.181 0.000 1.108 631 D CA 0.322 54.444 54.000 0.204 0.000 0.894 631 D CB 2.418 43.317 40.800 0.165 0.000 1.203 631 D HN 0.158 nan 8.370 nan 0.000 0.430 632 V N -1.233 118.764 119.914 0.139 0.000 2.925 632 V HA 0.646 4.766 4.120 -0.000 0.000 0.311 632 V C -0.595 175.537 176.094 0.064 0.000 1.104 632 V CA -1.083 61.263 62.300 0.077 0.000 0.954 632 V CB 2.163 34.010 31.823 0.040 0.000 1.022 632 V HN 0.563 nan 8.190 nan 0.000 0.427 633 K N 0.895 121.321 120.400 0.042 0.000 2.281 633 K HA 0.662 4.982 4.320 -0.000 0.000 0.242 633 K C 0.743 177.355 176.600 0.021 0.000 0.971 633 K CA -0.013 56.296 56.287 0.037 0.000 0.834 633 K CB 2.032 34.559 32.500 0.044 0.000 1.181 633 K HN 0.670 nan 8.250 nan 0.000 0.435 634 S N 0.147 115.859 115.700 0.020 0.000 2.387 634 S HA -0.043 4.427 4.470 -0.000 0.000 0.226 634 S C 0.655 175.261 174.600 0.009 0.000 1.026 634 S CA 0.119 58.327 58.200 0.014 0.000 0.972 634 S CB -0.861 62.347 63.200 0.014 0.000 0.814 634 S HN 0.760 nan 8.310 nan 0.000 0.477 635 c N 0.000 118.608 118.600 0.014 0.000 2.653 635 c HA 0.000 4.570 4.570 -0.000 0.000 0.325 635 c CA 0.000 56.338 56.329 0.015 0.000 1.963 635 c CB 0.000 42.520 42.510 0.016 0.000 2.134 635 c HN 0.000 nan 8.230 nan 0.000 0.568