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 1ub2_1_A DATA FIRST_RESID 21 DATA SEQUENCE STAEWWPKAL NLDILSQHDR KTNPMGPDFN YQEEVQKLDA ALKQDLQALM DATA SEQUENCE TDSQDWWPAD WGHYGGLMIR LTWHAAGTYR IADGRGGAGT GNQRFAPLNS DATA SEQUENCE WPDNTNLDKA RRLLWPIKQK YGNKLSWADL IAYAGTIAYE SMGLKTFGFA DATA SEQUENCE FGREDIWHPE KDIYWGPEKE WFPPSTNPNS RYTGDRELEN PLAAVTMGLI DATA SEQUENCE YVNPEGVDGN PDPLKTAHDV RVTFARMAMN DEETVALTAG GHTVGKCHGN DATA SEQUENCE GNAALLGPEP EGADVEDQGL GWINKTQSGI GRNAVTSGLE GAWTPHPTQW DATA SEQUENCE DNGYFAVCSL NYDWELKKNP AGAWQWEPIN PREEDLPVDV EDPSIRRNLV DATA SEQUENCE MTDADMAMKM DPEYRKISER FYQDPAYFAD VFARAWFKLT HRDMGPKARY DATA SEQUENCE IGPDVPQEDL IWQDPIPAGN RNYDVQAVKD RIAASGLSIS ELVSTAWDSA DATA SEQUENCE RTYRNSDKRG GANGARIRLA PQKDWEGNEP DRLPKVLAVL EGISAATGAT DATA SEQUENCE VADVIVLAGN VGVEQKARAA GVEIVLPFAP GRGDATAEQT DTESFAVLEP DATA SEQUENCE IHDAIATGSS RTMRQRLKNC CLIATQLLGL TAPEMTVLIG GLRVLGTNHG DATA SEQUENCE GTKHVVFTDR EGVLTNDFFV NLTDMNYLWK PAGKNLYEIC DRKTNQVKWT DATA SEQUENCE ATRVDLVFGS NSILRAYSEL YAQDDNKEKF VRDFVAAWTK VMNADRFDLD 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 21 S HA 0.000 nan 4.470 nan 0.000 0.327 21 S C 0.000 174.668 174.600 0.114 0.000 1.055 21 S CA 0.000 58.217 58.200 0.029 0.000 1.107 21 S CB 0.000 63.213 63.200 0.022 0.000 0.593 22 T N 1.340 115.995 114.554 0.168 0.000 2.984 22 T HA 0.026 4.376 4.350 -0.000 0.000 0.268 22 T C 0.431 175.368 174.700 0.394 0.000 1.163 22 T CA 1.692 63.950 62.100 0.263 0.000 1.103 22 T CB -0.458 68.514 68.868 0.173 0.000 0.798 22 T HN 1.089 nan 8.240 nan 0.000 0.586 23 A N -0.021 122.955 122.820 0.261 0.000 2.601 23 A HA 0.398 4.718 4.320 -0.000 0.000 0.292 23 A C 0.393 177.960 177.584 -0.028 0.000 1.284 23 A CA -0.562 51.615 52.037 0.232 0.000 0.893 23 A CB 0.615 19.828 19.000 0.354 0.000 1.440 23 A HN 0.220 nan 8.150 nan 0.000 0.510 24 E N -0.057 119.946 120.200 -0.328 0.000 2.511 24 E HA 0.017 4.366 4.350 -0.000 0.000 0.209 24 E C 0.663 176.997 176.600 -0.444 0.000 0.986 24 E CA 0.015 56.206 56.400 -0.348 0.000 0.974 24 E CB 0.198 29.625 29.700 -0.457 0.000 1.030 24 E HN 0.910 nan 8.360 nan 0.000 0.490 25 W N 0.742 121.768 121.300 -0.457 0.000 2.335 25 W HA -0.137 4.523 4.660 -0.001 0.000 0.311 25 W C 0.985 176.869 176.519 -1.058 0.000 1.213 25 W CA 0.661 57.421 57.345 -0.975 0.000 1.274 25 W CB 0.065 28.427 29.460 -1.831 0.000 1.148 25 W HN 0.078 nan 8.180 nan 0.000 0.498 26 W N 1.116 122.544 121.300 0.214 0.000 2.433 26 W HA 0.240 4.900 4.660 -0.001 0.000 0.288 26 W C -1.836 174.722 176.519 0.064 0.000 0.986 26 W CA -1.769 55.647 57.345 0.118 0.000 1.680 26 W CB -0.231 29.291 29.460 0.104 0.000 1.615 26 W HN -0.156 nan 8.180 nan 0.000 0.416 27 P HA -0.186 nan 4.420 nan 0.000 0.226 27 P C 1.517 178.868 177.300 0.085 0.000 1.153 27 P CA 1.360 64.505 63.100 0.075 0.000 0.777 27 P CB 0.280 31.987 31.700 0.011 0.000 0.794 28 K N 0.517 120.986 120.400 0.115 0.000 2.486 28 K HA 0.095 4.415 4.320 -0.000 0.000 0.194 28 K C 0.669 177.314 176.600 0.074 0.000 1.033 28 K CA 0.198 56.534 56.287 0.081 0.000 1.004 28 K CB -0.819 31.733 32.500 0.086 0.000 0.798 28 K HN -0.029 nan 8.250 nan 0.000 0.495 29 A N 1.987 124.873 122.820 0.109 0.000 2.407 29 A HA 0.323 4.643 4.320 -0.000 0.000 0.248 29 A C 0.147 177.755 177.584 0.041 0.000 1.082 29 A CA -0.577 51.506 52.037 0.076 0.000 0.785 29 A CB 0.053 19.121 19.000 0.113 0.000 1.020 29 A HN 0.378 nan 8.150 nan 0.000 0.489 30 L N 1.811 123.040 121.223 0.010 0.000 2.559 30 L HA -0.051 4.289 4.340 -0.000 0.000 0.282 30 L C 1.177 178.056 176.870 0.015 0.000 1.232 30 L CA 0.299 55.137 54.840 -0.003 0.000 0.885 30 L CB 0.089 42.131 42.059 -0.028 0.000 1.131 30 L HN 0.875 nan 8.230 nan 0.000 0.498 31 N N 2.877 121.586 118.700 0.015 0.000 3.188 31 N HA 0.058 4.798 4.740 -0.000 0.000 0.279 31 N C 0.873 176.400 175.510 0.028 0.000 1.213 31 N CA -0.633 52.432 53.050 0.025 0.000 1.138 31 N CB 0.429 38.929 38.487 0.021 0.000 1.417 31 N HN 0.542 nan 8.380 nan 0.000 0.526 32 L N 1.482 122.726 121.223 0.034 0.000 2.265 32 L HA -0.122 4.218 4.340 -0.000 0.000 0.215 32 L C 1.613 178.517 176.870 0.056 0.000 1.117 32 L CA 1.326 56.197 54.840 0.052 0.000 0.782 32 L CB -0.504 41.591 42.059 0.060 0.000 0.914 32 L HN 0.470 nan 8.230 nan 0.000 0.441 33 D N -0.416 120.008 120.400 0.040 0.000 2.265 33 D HA -0.172 4.467 4.640 -0.000 0.000 0.208 33 D C 2.175 178.487 176.300 0.020 0.000 0.977 33 D CA 1.204 55.220 54.000 0.026 0.000 0.871 33 D CB -0.013 40.791 40.800 0.008 0.000 0.925 33 D HN 0.554 nan 8.370 nan 0.000 0.485 34 I N -2.352 118.235 120.570 0.028 0.000 2.830 34 I HA -0.096 4.073 4.170 -0.000 0.000 0.263 34 I C 1.619 177.760 176.117 0.040 0.000 1.230 34 I CA 0.787 62.102 61.300 0.026 0.000 1.480 34 I CB -0.211 37.805 38.000 0.028 0.000 1.095 34 I HN -0.112 nan 8.210 nan 0.000 0.455 35 L N 1.154 122.411 121.223 0.057 0.000 2.567 35 L HA 0.128 4.468 4.340 -0.000 0.000 0.225 35 L C 1.457 178.372 176.870 0.074 0.000 1.119 35 L CA 0.589 55.476 54.840 0.077 0.000 0.871 35 L CB -0.130 41.988 42.059 0.098 0.000 1.036 35 L HN 0.470 nan 8.230 nan 0.000 0.459 36 S N -2.182 113.550 115.700 0.054 0.000 2.711 36 S HA 0.271 4.741 4.470 -0.000 0.000 0.247 36 S C 0.251 174.863 174.600 0.020 0.000 1.079 36 S CA -0.758 57.473 58.200 0.050 0.000 1.050 36 S CB 0.203 63.437 63.200 0.057 0.000 0.885 36 S HN 0.257 nan 8.310 nan 0.000 0.498 37 Q N 1.059 120.850 119.800 -0.014 0.000 2.318 37 Q HA 0.294 4.634 4.340 -0.000 0.000 0.222 37 Q C -0.198 175.782 176.000 -0.033 0.000 1.003 37 Q CA -0.823 54.909 55.803 -0.118 0.000 0.936 37 Q CB 0.162 28.648 28.738 -0.421 0.000 1.204 37 Q HN 0.539 nan 8.270 nan 0.000 0.524 38 H N -0.510 118.783 119.070 0.370 0.000 2.626 38 H HA -0.198 4.358 4.556 -0.000 0.000 0.317 38 H C -0.680 174.757 175.328 0.182 0.000 1.140 38 H CA 0.664 56.842 56.048 0.216 0.000 1.134 38 H CB -1.571 28.236 29.762 0.074 0.000 1.486 38 H HN 0.559 nan 8.280 nan 0.000 0.417 39 D N -0.220 120.315 120.400 0.224 0.000 2.466 39 D HA 0.199 4.839 4.640 -0.000 0.000 0.262 39 D C 1.654 178.027 176.300 0.123 0.000 1.177 39 D CA -0.711 53.377 54.000 0.147 0.000 1.035 39 D CB 0.853 41.711 40.800 0.096 0.000 1.105 39 D HN -0.003 nan 8.370 nan 0.000 0.551 40 R N 0.805 121.357 120.500 0.086 0.000 2.113 40 R HA -0.163 4.176 4.340 -0.000 0.000 0.244 40 R C 1.780 178.098 176.300 0.030 0.000 1.142 40 R CA 1.309 57.444 56.100 0.057 0.000 0.953 40 R CB -0.510 29.817 30.300 0.045 0.000 0.860 40 R HN 0.485 nan 8.270 nan 0.000 0.438 41 K N 0.188 120.605 120.400 0.028 0.000 2.360 41 K HA -0.066 4.254 4.320 -0.000 0.000 0.201 41 K C 1.824 178.424 176.600 0.000 0.000 1.046 41 K CA 1.590 57.881 56.287 0.006 0.000 0.945 41 K CB -0.019 32.483 32.500 0.005 0.000 0.750 41 K HN 0.429 nan 8.250 nan 0.000 0.464 42 T N -2.461 112.115 114.554 0.037 0.000 3.015 42 T HA 0.001 4.351 4.350 -0.000 0.000 0.250 42 T C 0.640 175.329 174.700 -0.019 0.000 1.057 42 T CA -0.333 61.805 62.100 0.064 0.000 1.066 42 T CB -0.104 68.892 68.868 0.213 0.000 0.959 42 T HN -0.059 nan 8.240 nan 0.000 0.488 43 N N 3.672 122.350 118.700 -0.037 0.000 2.411 43 N HA 0.247 4.987 4.740 -0.000 0.000 0.259 43 N C -1.487 173.829 175.510 -0.324 0.000 1.103 43 N CA -2.206 50.723 53.050 -0.201 0.000 0.954 43 N CB 1.503 40.005 38.487 0.025 0.000 1.085 43 N HN 0.063 nan 8.380 nan 0.000 0.485 44 P HA 0.034 nan 4.420 nan 0.000 0.245 44 P C -0.254 176.834 177.300 -0.354 0.000 1.206 44 P CA 0.468 63.280 63.100 -0.480 0.000 0.781 44 P CB 0.321 31.611 31.700 -0.683 0.000 0.994 45 M N 0.255 119.655 119.600 -0.333 0.000 2.288 45 M HA 0.377 4.856 4.480 -0.000 0.000 0.334 45 M C 1.215 177.469 176.300 -0.077 0.000 1.150 45 M CA -0.963 54.183 55.300 -0.257 0.000 1.118 45 M CB 0.221 32.603 32.600 -0.363 0.000 1.501 45 M HN -0.184 nan 8.290 nan 0.000 0.462 46 G N 2.245 111.043 108.800 -0.003 0.000 2.630 46 G HA2 0.258 4.218 3.960 -0.000 0.000 0.236 46 G HA3 0.258 4.218 3.960 -0.000 0.000 0.236 46 G C -1.511 173.464 174.900 0.125 0.000 1.248 46 G CA -0.796 44.343 45.100 0.065 0.000 0.844 46 G HN 0.600 nan 8.290 nan 0.000 0.588 47 P HA 0.003 nan 4.420 nan 0.000 0.233 47 P C 0.300 177.677 177.300 0.127 0.000 1.167 47 P CA 0.846 64.012 63.100 0.109 0.000 0.770 47 P CB 0.511 32.255 31.700 0.073 0.000 0.837 48 D N -1.105 119.375 120.400 0.134 0.000 2.360 48 D HA 0.046 4.686 4.640 -0.000 0.000 0.210 48 D C 0.493 176.871 176.300 0.131 0.000 1.047 48 D CA -0.357 53.708 54.000 0.108 0.000 0.854 48 D CB -0.440 40.405 40.800 0.074 0.000 0.936 48 D HN 0.129 nan 8.370 nan 0.000 0.514 49 F N 2.586 122.576 119.950 0.066 0.000 2.623 49 F HA 0.023 4.550 4.527 -0.000 0.000 0.383 49 F C 0.382 176.248 175.800 0.109 0.000 1.077 49 F CA 0.026 58.079 58.000 0.089 0.000 1.268 49 F CB 0.322 39.384 39.000 0.104 0.000 1.053 49 F HN -0.264 nan 8.300 nan 0.000 0.571 50 N N 5.817 124.098 118.700 -0.698 0.000 2.576 50 N HA 0.064 4.804 4.740 -0.000 0.000 0.269 50 N C 0.059 175.228 175.510 -0.569 0.000 1.058 50 N CA -0.617 52.185 53.050 -0.413 0.000 0.860 50 N CB 0.162 38.537 38.487 -0.187 0.000 1.249 50 N HN 0.629 nan 8.380 nan 0.000 0.525 51 Y N 3.286 123.282 120.300 -0.506 0.000 2.128 51 Y HA -0.238 4.312 4.550 -0.000 0.000 0.284 51 Y C 1.631 177.460 175.900 -0.119 0.000 1.154 51 Y CA 2.098 60.062 58.100 -0.227 0.000 1.149 51 Y CB 0.050 38.580 38.460 0.116 0.000 0.976 51 Y HN 0.613 nan 8.280 nan 0.000 0.505 52 Q N 0.308 120.027 119.800 -0.135 0.000 2.112 52 Q HA -0.256 4.084 4.340 -0.000 0.000 0.206 52 Q C 2.208 178.067 176.000 -0.236 0.000 0.987 52 Q CA 2.367 58.059 55.803 -0.185 0.000 0.858 52 Q CB -0.415 28.300 28.738 -0.038 0.000 0.905 52 Q HN 0.836 nan 8.270 nan 0.000 0.420 53 E N -0.379 119.695 120.200 -0.210 0.000 2.299 53 E HA -0.131 4.218 4.350 -0.000 0.000 0.193 53 E C 1.202 177.675 176.600 -0.210 0.000 0.998 53 E CA 0.700 56.992 56.400 -0.181 0.000 0.851 53 E CB 0.074 29.692 29.700 -0.137 0.000 0.795 53 E HN 0.180 nan 8.360 nan 0.000 0.492 54 E N 0.789 120.822 120.200 -0.279 0.000 2.170 54 E HA -0.051 4.299 4.350 -0.000 0.000 0.191 54 E C 2.123 178.572 176.600 -0.252 0.000 0.981 54 E CA 0.604 56.881 56.400 -0.205 0.000 0.830 54 E CB 0.019 29.650 29.700 -0.114 0.000 0.775 54 E HN 0.198 nan 8.360 nan 0.000 0.470 55 V N 1.008 120.631 119.914 -0.486 0.000 2.719 55 V HA -0.185 3.934 4.120 -0.000 0.000 0.252 55 V C 1.922 177.802 176.094 -0.357 0.000 1.065 55 V CA 1.407 63.402 62.300 -0.509 0.000 1.086 55 V CB -0.149 31.161 31.823 -0.856 0.000 0.700 55 V HN 0.207 nan 8.190 nan 0.000 0.467 56 Q N -0.553 119.083 119.800 -0.273 0.000 2.291 56 Q HA -0.166 4.174 4.340 -0.000 0.000 0.206 56 Q C 1.900 177.809 176.000 -0.152 0.000 0.976 56 Q CA 1.294 56.987 55.803 -0.183 0.000 0.875 56 Q CB 0.001 28.659 28.738 -0.133 0.000 0.927 56 Q HN 0.573 nan 8.270 nan 0.000 0.450 57 K N -0.122 120.190 120.400 -0.147 0.000 2.393 57 K HA 0.063 4.382 4.320 -0.000 0.000 0.193 57 K C 0.089 176.635 176.600 -0.090 0.000 1.026 57 K CA -0.278 55.951 56.287 -0.096 0.000 1.064 57 K CB 0.285 32.745 32.500 -0.066 0.000 0.833 57 K HN 0.050 nan 8.250 nan 0.000 0.521 58 L N 2.086 123.218 121.223 -0.152 0.000 2.485 58 L HA -0.022 4.318 4.340 -0.000 0.000 0.275 58 L C 0.105 176.900 176.870 -0.125 0.000 1.207 58 L CA 0.518 55.270 54.840 -0.148 0.000 0.855 58 L CB 0.500 42.365 42.059 -0.325 0.000 1.114 58 L HN -0.021 nan 8.230 nan 0.000 0.485 59 D N 3.811 124.192 120.400 -0.031 0.000 2.619 59 D HA 0.204 4.843 4.640 -0.000 0.000 0.224 59 D C 1.125 177.391 176.300 -0.057 0.000 1.133 59 D CA 0.539 54.540 54.000 0.002 0.000 1.017 59 D CB 0.678 41.544 40.800 0.111 0.000 1.077 59 D HN 0.738 nan 8.370 nan 0.000 0.503 60 A N 2.822 125.574 122.820 -0.114 0.000 2.104 60 A HA -0.172 4.148 4.320 -0.000 0.000 0.223 60 A C 1.874 179.487 177.584 0.048 0.000 1.164 60 A CA 1.516 53.518 52.037 -0.059 0.000 0.659 60 A CB -0.372 18.638 19.000 0.017 0.000 0.808 60 A HN 0.545 nan 8.150 nan 0.000 0.465 61 A N -0.243 122.602 122.820 0.041 0.000 2.233 61 A HA 0.326 4.646 4.320 -0.000 0.000 0.230 61 A C 1.442 179.063 177.584 0.061 0.000 1.347 61 A CA 0.721 52.796 52.037 0.063 0.000 1.087 61 A CB -1.031 18.003 19.000 0.056 0.000 0.871 61 A HN 1.120 nan 8.150 nan 0.000 0.519 62 L N -3.014 118.214 121.223 0.010 0.000 2.591 62 L HA 0.196 4.536 4.340 -0.000 0.000 0.228 62 L C 1.606 178.468 176.870 -0.013 0.000 1.133 62 L CA 1.138 55.929 54.840 -0.082 0.000 0.880 62 L CB -0.221 41.496 42.059 -0.569 0.000 1.033 62 L HN 0.208 nan 8.230 nan 0.000 0.450 63 K N -0.334 120.090 120.400 0.040 0.000 2.147 63 K HA -0.129 4.191 4.320 -0.000 0.000 0.205 63 K C 2.038 178.636 176.600 -0.004 0.000 1.049 63 K CA 1.357 57.646 56.287 0.004 0.000 0.936 63 K CB -0.182 32.348 32.500 0.050 0.000 0.722 63 K HN 0.435 nan 8.250 nan 0.000 0.446 64 Q N 0.983 120.801 119.800 0.030 0.000 2.084 64 Q HA -0.168 4.172 4.340 -0.000 0.000 0.202 64 Q C 1.574 177.595 176.000 0.034 0.000 0.978 64 Q CA 1.454 57.276 55.803 0.032 0.000 0.844 64 Q CB -0.144 28.621 28.738 0.045 0.000 0.898 64 Q HN 0.354 nan 8.270 nan 0.000 0.426 65 D N 0.208 120.645 120.400 0.062 0.000 2.117 65 D HA -0.117 4.523 4.640 -0.000 0.000 0.198 65 D C 1.946 178.269 176.300 0.038 0.000 0.982 65 D CA 0.425 54.470 54.000 0.075 0.000 0.828 65 D CB -0.048 40.853 40.800 0.167 0.000 0.967 65 D HN 0.087 nan 8.370 nan 0.000 0.464 66 L N 0.989 122.213 121.223 0.003 0.000 2.056 66 L HA -0.146 4.193 4.340 -0.000 0.000 0.207 66 L C 2.370 179.219 176.870 -0.036 0.000 1.078 66 L CA 1.616 56.434 54.840 -0.035 0.000 0.749 66 L CB -0.966 41.018 42.059 -0.125 0.000 0.901 66 L HN 0.001 nan 8.230 nan 0.000 0.433 67 Q N -1.015 118.761 119.800 -0.041 0.000 2.124 67 Q HA -0.157 4.183 4.340 -0.000 0.000 0.202 67 Q C 2.088 178.074 176.000 -0.024 0.000 0.977 67 Q CA 1.873 57.659 55.803 -0.029 0.000 0.850 67 Q CB -0.133 28.595 28.738 -0.018 0.000 0.901 67 Q HN 0.512 nan 8.270 nan 0.000 0.429 68 A N 0.383 123.200 122.820 -0.006 0.000 1.969 68 A HA -0.115 4.204 4.320 -0.000 0.000 0.218 68 A C 1.964 179.550 177.584 0.004 0.000 1.169 68 A CA 1.146 53.181 52.037 -0.003 0.000 0.635 68 A CB -0.678 18.329 19.000 0.013 0.000 0.810 68 A HN 0.514 nan 8.150 nan 0.000 0.445 69 L N -0.677 120.561 121.223 0.025 0.000 2.079 69 L HA -0.166 4.174 4.340 -0.000 0.000 0.210 69 L C 2.201 179.140 176.870 0.115 0.000 1.081 69 L CA 1.904 56.786 54.840 0.070 0.000 0.752 69 L CB -0.515 41.581 42.059 0.062 0.000 0.896 69 L HN 0.302 nan 8.230 nan 0.000 0.433 70 M N -0.468 119.146 119.600 0.023 0.000 2.195 70 M HA -0.145 4.335 4.480 -0.000 0.000 0.260 70 M C 1.650 177.794 176.300 -0.259 0.000 1.066 70 M CA 2.020 57.267 55.300 -0.088 0.000 1.089 70 M CB -1.946 30.490 32.600 -0.272 0.000 1.377 70 M HN 0.614 nan 8.290 nan 0.000 0.411 71 T N -3.923 110.515 114.554 -0.194 0.000 3.215 71 T HA 0.192 4.542 4.350 -0.000 0.000 0.271 71 T C -0.035 174.608 174.700 -0.095 0.000 1.012 71 T CA -0.433 61.554 62.100 -0.189 0.000 0.899 71 T CB -0.123 68.656 68.868 -0.148 0.000 1.089 71 T HN 0.033 nan 8.240 nan 0.000 0.552 72 D N 2.033 122.424 120.400 -0.016 0.000 2.590 72 D HA 0.271 4.911 4.640 -0.000 0.000 0.280 72 D C -0.107 176.247 176.300 0.090 0.000 1.197 72 D CA -0.241 53.780 54.000 0.035 0.000 0.967 72 D CB 0.538 41.380 40.800 0.070 0.000 0.987 72 D HN 0.259 nan 8.370 nan 0.000 0.508 73 S N 1.882 117.542 115.700 -0.066 0.000 2.546 73 S HA 0.047 4.517 4.470 -0.000 0.000 0.290 73 S C -0.081 174.509 174.600 -0.017 0.000 1.290 73 S CA -0.203 57.924 58.200 -0.122 0.000 1.069 73 S CB 0.299 63.349 63.200 -0.249 0.000 0.846 73 S HN 0.302 nan 8.310 nan 0.000 0.495 74 Q N 2.865 122.657 119.800 -0.014 0.000 2.282 74 Q HA 0.180 4.520 4.340 -0.000 0.000 0.260 74 Q C 0.993 176.829 176.000 -0.274 0.000 0.964 74 Q CA -0.694 55.003 55.803 -0.178 0.000 0.880 74 Q CB 1.531 30.016 28.738 -0.421 0.000 1.286 74 Q HN 0.939 nan 8.270 nan 0.000 0.445 75 D N 2.689 123.017 120.400 -0.121 0.000 2.133 75 D HA -0.212 4.428 4.640 -0.000 0.000 0.195 75 D C 1.256 177.568 176.300 0.020 0.000 0.997 75 D CA 1.492 55.475 54.000 -0.028 0.000 0.840 75 D CB -0.175 40.674 40.800 0.082 0.000 0.947 75 D HN 0.810 nan 8.370 nan 0.000 0.452 76 W N -1.049 120.335 121.300 0.140 0.000 2.721 76 W HA 0.100 4.760 4.660 -0.000 0.000 0.245 76 W C 0.380 177.092 176.519 0.321 0.000 1.276 76 W CA -0.520 56.933 57.345 0.181 0.000 1.342 76 W CB -0.983 28.575 29.460 0.163 0.000 1.135 76 W HN 0.076 nan 8.180 nan 0.000 0.654 77 W N 3.904 124.987 121.300 -0.361 0.000 1.521 77 W HA 0.165 4.825 4.660 -0.001 0.000 0.317 77 W C -2.646 173.763 176.519 -0.183 0.000 1.002 77 W CA -1.706 55.499 57.345 -0.232 0.000 1.040 77 W CB 0.282 29.586 29.460 -0.261 0.000 1.072 77 W HN -0.358 nan 8.180 nan 0.000 0.340 78 P HA 0.076 nan 4.420 nan 0.000 0.265 78 P C 0.043 177.114 177.300 -0.382 0.000 1.187 78 P CA 0.588 63.492 63.100 -0.326 0.000 0.766 78 P CB 0.880 32.392 31.700 -0.314 0.000 0.820 79 A N 3.141 125.633 122.820 -0.547 0.000 2.401 79 A HA 0.176 4.495 4.320 -0.000 0.000 0.259 79 A C 0.132 177.460 177.584 -0.426 0.000 1.103 79 A CA -0.453 51.144 52.037 -0.735 0.000 0.789 79 A CB -0.282 17.890 19.000 -1.379 0.000 1.035 79 A HN 0.460 nan 8.150 nan 0.000 0.491 80 D N 2.676 122.869 120.400 -0.345 0.000 2.450 80 D HA 0.014 4.654 4.640 -0.000 0.000 0.247 80 D C 0.376 176.479 176.300 -0.327 0.000 1.162 80 D CA 0.553 54.169 54.000 -0.640 0.000 0.879 80 D CB 0.116 40.359 40.800 -0.928 0.000 1.163 80 D HN 0.637 nan 8.370 nan 0.000 0.472 81 W N 1.856 123.121 121.300 -0.058 0.000 4.650 81 W HA -0.258 4.402 4.660 -0.000 0.000 0.335 81 W C 1.204 177.692 176.519 -0.051 0.000 1.222 81 W CA 0.398 57.718 57.345 -0.042 0.000 0.807 81 W CB -2.290 27.163 29.460 -0.012 0.000 2.290 81 W HN 0.815 nan 8.180 nan 0.000 1.514 82 G N -0.262 108.535 108.800 -0.005 0.000 2.160 82 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.251 82 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.251 82 G C -0.141 174.719 174.900 -0.066 0.000 1.008 82 G CA 0.734 45.781 45.100 -0.088 0.000 0.724 82 G HN 0.762 nan 8.290 nan 0.000 0.514 83 H N -1.466 117.551 119.070 -0.089 0.000 3.018 83 H HA 0.406 4.962 4.556 -0.000 0.000 0.334 83 H C 0.091 175.436 175.328 0.028 0.000 0.983 83 H CA -0.853 55.189 56.048 -0.011 0.000 1.363 83 H CB 0.826 30.662 29.762 0.124 0.000 1.668 83 H HN 0.061 nan 8.280 nan 0.000 0.513 84 Y N 2.700 123.137 120.300 0.229 0.000 2.529 84 Y HA 0.046 4.595 4.550 -0.001 0.000 0.290 84 Y C 2.287 178.356 175.900 0.282 0.000 1.177 84 Y CA 0.805 59.035 58.100 0.216 0.000 1.305 84 Y CB 0.029 38.550 38.460 0.102 0.000 1.047 84 Y HN 0.806 nan 8.280 nan 0.000 0.522 85 G N 0.326 109.513 108.800 0.645 0.000 2.529 85 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.219 85 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.219 85 G C 2.094 177.089 174.900 0.157 0.000 1.177 85 G CA 1.132 46.433 45.100 0.336 0.000 0.773 85 G HN 0.504 nan 8.290 nan 0.000 0.573 86 G N 0.688 109.610 108.800 0.204 0.000 2.446 86 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.217 86 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.217 86 G C 1.776 176.818 174.900 0.237 0.000 1.168 86 G CA 1.124 46.349 45.100 0.207 0.000 0.771 86 G HN 0.439 nan 8.290 nan 0.000 0.551 87 L N 0.245 121.643 121.223 0.292 0.000 2.012 87 L HA -0.006 4.333 4.340 -0.000 0.000 0.210 87 L C 2.741 179.716 176.870 0.176 0.000 1.073 87 L CA 1.716 56.706 54.840 0.250 0.000 0.748 87 L CB -0.290 41.953 42.059 0.308 0.000 0.891 87 L HN 0.104 nan 8.230 nan 0.000 0.431 88 M N -0.990 118.716 119.600 0.178 0.000 2.175 88 M HA -0.145 4.335 4.480 -0.000 0.000 0.264 88 M C 2.390 178.795 176.300 0.176 0.000 1.063 88 M CA 1.620 57.006 55.300 0.144 0.000 1.119 88 M CB -0.956 31.723 32.600 0.132 0.000 1.377 88 M HN 0.300 nan 8.290 nan 0.000 0.415 89 I N -0.620 120.033 120.570 0.139 0.000 2.315 89 I HA -0.286 3.883 4.170 -0.000 0.000 0.248 89 I C 2.700 179.061 176.117 0.406 0.000 1.117 89 I CA 1.057 62.472 61.300 0.192 0.000 1.404 89 I CB -0.470 37.422 38.000 -0.181 0.000 1.071 89 I HN 0.305 nan 8.210 nan 0.000 0.419 90 R N 1.237 121.912 120.500 0.291 0.000 2.120 90 R HA -0.157 4.183 4.340 -0.000 0.000 0.234 90 R C 2.398 178.759 176.300 0.101 0.000 1.123 90 R CA 1.083 57.339 56.100 0.261 0.000 0.975 90 R CB -0.145 30.221 30.300 0.110 0.000 0.866 90 R HN 0.355 nan 8.270 nan 0.000 0.446 91 L N 0.464 121.755 121.223 0.113 0.000 1.970 91 L HA -0.191 4.149 4.340 -0.000 0.000 0.212 91 L C 1.762 178.707 176.870 0.125 0.000 1.071 91 L CA 2.276 57.159 54.840 0.071 0.000 0.751 91 L CB -0.726 41.383 42.059 0.084 0.000 0.889 91 L HN 0.322 nan 8.230 nan 0.000 0.432 92 T N -0.457 114.241 114.554 0.241 0.000 2.708 92 T HA -0.280 4.070 4.350 -0.000 0.000 0.266 92 T C 1.402 176.262 174.700 0.266 0.000 1.037 92 T CA 1.729 63.972 62.100 0.238 0.000 1.146 92 T CB -0.553 68.528 68.868 0.356 0.000 0.865 92 T HN 0.656 nan 8.240 nan 0.000 0.435 93 W N 1.777 123.268 121.300 0.319 0.000 2.333 93 W HA -0.248 4.411 4.660 -0.000 0.000 0.316 93 W C 2.077 178.767 176.519 0.285 0.000 1.215 93 W CA 1.352 58.907 57.345 0.349 0.000 1.278 93 W CB -0.557 29.227 29.460 0.540 0.000 1.154 93 W HN 0.465 nan 8.180 nan 0.000 0.486 94 H N 0.134 118.885 119.070 -0.530 0.000 2.423 94 H HA -0.097 4.458 4.556 -0.000 0.000 0.297 94 H C 2.489 177.549 175.328 -0.447 0.000 1.075 94 H CA 0.993 56.614 56.048 -0.710 0.000 1.342 94 H CB -0.111 29.378 29.762 -0.455 0.000 1.395 94 H HN 0.271 nan 8.280 nan 0.000 0.530 95 A N 1.030 123.767 122.820 -0.138 0.000 1.930 95 A HA -0.078 4.241 4.320 -0.000 0.000 0.217 95 A C 2.519 180.005 177.584 -0.164 0.000 1.175 95 A CA 1.372 53.319 52.037 -0.151 0.000 0.627 95 A CB -0.519 18.430 19.000 -0.085 0.000 0.815 95 A HN 0.443 nan 8.150 nan 0.000 0.443 96 A N -0.747 121.994 122.820 -0.132 0.000 1.935 96 A HA 0.303 4.623 4.320 -0.000 0.000 0.214 96 A C 2.250 179.789 177.584 -0.075 0.000 1.178 96 A CA 1.279 53.257 52.037 -0.098 0.000 0.640 96 A CB -1.145 17.819 19.000 -0.060 0.000 0.825 96 A HN 0.764 nan 8.150 nan 0.000 0.447 97 G N -1.372 107.267 108.800 -0.269 0.000 2.653 97 G HA2 -0.051 3.908 3.960 -0.000 0.000 0.212 97 G HA3 -0.051 3.908 3.960 -0.000 0.000 0.212 97 G C 1.194 175.753 174.900 -0.568 0.000 1.138 97 G CA 1.416 46.171 45.100 -0.575 0.000 0.782 97 G HN 0.419 nan 8.290 nan 0.000 0.535 98 T N -0.847 113.545 114.554 -0.270 0.000 3.081 98 T HA 0.148 4.498 4.350 -0.000 0.000 0.250 98 T C 0.465 175.232 174.700 0.113 0.000 1.100 98 T CA -0.713 61.335 62.100 -0.086 0.000 1.038 98 T CB -0.258 68.528 68.868 -0.137 0.000 0.962 98 T HN 0.295 nan 8.240 nan 0.000 0.516 99 Y N 4.169 124.446 120.300 -0.038 0.000 2.480 99 Y HA 0.334 4.883 4.550 -0.001 0.000 0.338 99 Y C 0.402 176.308 175.900 0.010 0.000 1.220 99 Y CA -0.637 57.451 58.100 -0.020 0.000 1.430 99 Y CB 0.412 38.841 38.460 -0.053 0.000 1.311 99 Y HN 0.147 nan 8.280 nan 0.000 0.575 100 R N 7.178 127.164 120.500 -0.856 0.000 2.548 100 R HA 0.291 4.631 4.340 -0.000 0.000 0.280 100 R C 0.175 175.934 176.300 -0.902 0.000 1.061 100 R CA -0.259 55.445 56.100 -0.661 0.000 0.915 100 R CB 0.600 30.741 30.300 -0.265 0.000 1.210 100 R HN 0.926 nan 8.270 nan 0.000 0.442 101 I N 0.243 120.463 120.570 -0.582 0.000 2.361 101 I HA -0.088 4.082 4.170 -0.000 0.000 0.251 101 I C 1.860 177.846 176.117 -0.218 0.000 1.133 101 I CA 1.635 62.731 61.300 -0.341 0.000 1.413 101 I CB -0.249 37.687 38.000 -0.106 0.000 1.073 101 I HN 0.721 nan 8.210 nan 0.000 0.424 102 A N 2.127 124.840 122.820 -0.179 0.000 1.892 102 A HA -0.284 4.036 4.320 -0.000 0.000 0.218 102 A C 1.831 179.339 177.584 -0.127 0.000 1.188 102 A CA 2.565 54.531 52.037 -0.119 0.000 0.631 102 A CB -0.713 18.236 19.000 -0.085 0.000 0.822 102 A HN 0.807 nan 8.150 nan 0.000 0.447 103 D N -4.633 115.671 120.400 -0.161 0.000 2.520 103 D HA 0.301 4.941 4.640 -0.000 0.000 0.223 103 D C 1.052 177.261 176.300 -0.152 0.000 1.186 103 D CA 0.941 54.859 54.000 -0.136 0.000 0.821 103 D CB -0.579 40.157 40.800 -0.106 0.000 1.072 103 D HN 0.961 nan 8.370 nan 0.000 0.518 104 G N 0.949 109.611 108.800 -0.230 0.000 2.189 104 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.267 104 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.267 104 G C 0.317 175.180 174.900 -0.062 0.000 0.975 104 G CA 0.218 45.240 45.100 -0.130 0.000 0.644 104 G HN 0.455 nan 8.290 nan 0.000 0.537 105 R N 0.179 120.582 120.500 -0.161 0.000 2.615 105 R HA 0.537 4.877 4.340 -0.000 0.000 0.270 105 R C 1.047 177.294 176.300 -0.090 0.000 1.081 105 R CA 0.620 56.641 56.100 -0.133 0.000 1.154 105 R CB 0.602 30.767 30.300 -0.225 0.000 1.063 105 R HN 1.486 nan 8.270 nan 0.000 0.519 106 G N -0.457 108.327 108.800 -0.028 0.000 2.795 106 G HA2 0.225 4.184 3.960 -0.000 0.000 0.664 106 G HA3 0.225 4.184 3.960 -0.000 0.000 0.664 106 G C -0.092 174.902 174.900 0.157 0.000 1.381 106 G CA -0.567 44.605 45.100 0.120 0.000 0.853 106 G HN 1.092 nan 8.290 nan 0.000 0.545 107 G N -2.184 106.679 108.800 0.106 0.000 2.408 107 G HA2 0.538 4.498 3.960 -0.000 0.000 0.682 107 G HA3 0.538 4.498 3.960 -0.000 0.000 0.682 107 G C 0.599 175.454 174.900 -0.075 0.000 1.303 107 G CA 0.825 45.937 45.100 0.020 0.000 0.966 107 G HN 2.451 nan 8.290 nan 0.000 0.560 108 A N -0.426 122.307 122.820 -0.144 0.000 2.275 108 A HA 0.562 4.881 4.320 -0.000 0.000 0.212 108 A C 2.305 179.791 177.584 -0.164 0.000 1.201 108 A CA 1.624 53.569 52.037 -0.153 0.000 0.843 108 A CB -0.302 18.594 19.000 -0.174 0.000 0.873 108 A HN 2.242 nan 8.150 nan 0.000 0.492 109 G N -0.145 108.552 108.800 -0.172 0.000 2.625 109 G HA2 -0.011 3.949 3.960 -0.000 0.000 0.214 109 G HA3 -0.011 3.949 3.960 -0.000 0.000 0.214 109 G C 1.141 175.956 174.900 -0.142 0.000 1.132 109 G CA 1.691 46.685 45.100 -0.176 0.000 0.782 109 G HN 0.717 nan 8.290 nan 0.000 0.538 110 T N -4.995 109.484 114.554 -0.125 0.000 3.087 110 T HA 0.403 4.752 4.350 -0.000 0.000 0.283 110 T C 1.563 176.187 174.700 -0.126 0.000 0.956 110 T CA 0.853 62.872 62.100 -0.135 0.000 0.894 110 T CB 0.409 69.193 68.868 -0.139 0.000 1.160 110 T HN 1.192 nan 8.240 nan 0.000 0.532 111 G N 3.471 112.205 108.800 -0.111 0.000 2.198 111 G HA2 -0.377 3.583 3.960 -0.000 0.000 0.260 111 G HA3 -0.377 3.583 3.960 -0.000 0.000 0.260 111 G C 0.685 175.487 174.900 -0.163 0.000 1.025 111 G CA 0.497 45.523 45.100 -0.123 0.000 0.769 111 G HN 0.890 nan 8.290 nan 0.000 0.507 112 N N -0.799 117.844 118.700 -0.095 0.000 2.519 112 N HA -0.150 4.589 4.740 -0.000 0.000 0.186 112 N C 1.707 177.133 175.510 -0.141 0.000 1.062 112 N CA 0.906 53.941 53.050 -0.025 0.000 0.910 112 N CB -0.158 38.340 38.487 0.017 0.000 0.958 112 N HN 0.596 nan 8.380 nan 0.000 0.445 113 Q N 1.487 121.149 119.800 -0.231 0.000 2.437 113 Q HA -0.070 4.269 4.340 -0.000 0.000 0.210 113 Q C 1.850 177.636 176.000 -0.356 0.000 0.972 113 Q CA 0.568 56.201 55.803 -0.283 0.000 0.903 113 Q CB 0.091 28.685 28.738 -0.241 0.000 0.967 113 Q HN 0.576 nan 8.270 nan 0.000 0.486 114 R N -1.255 118.923 120.500 -0.537 0.000 2.310 114 R HA 0.102 4.441 4.340 -0.000 0.000 0.202 114 R C -0.390 175.385 176.300 -0.876 0.000 0.933 114 R CA 0.042 55.657 56.100 -0.809 0.000 1.054 114 R CB 0.210 29.798 30.300 -1.187 0.000 0.985 114 R HN 0.004 nan 8.270 nan 0.000 0.489 115 F N 0.210 120.024 119.950 -0.228 0.000 2.631 115 F HA 0.608 5.135 4.527 -0.001 0.000 0.328 115 F C 0.338 176.057 175.800 -0.135 0.000 1.067 115 F CA -1.624 56.284 58.000 -0.154 0.000 0.969 115 F CB 1.312 40.250 39.000 -0.104 0.000 1.332 115 F HN -0.091 nan 8.300 nan 0.000 0.490 116 A N 1.755 124.673 122.820 0.164 0.000 2.425 116 A HA 0.348 4.668 4.320 -0.000 0.000 0.242 116 A C -1.863 175.772 177.584 0.084 0.000 1.077 116 A CA -0.928 51.156 52.037 0.078 0.000 0.781 116 A CB -0.201 18.860 19.000 0.101 0.000 1.020 116 A HN 0.559 nan 8.150 nan 0.000 0.494 117 P HA 0.071 nan 4.420 nan 0.000 0.252 117 P C 1.234 178.378 177.300 -0.260 0.000 1.218 117 P CA 0.281 63.402 63.100 0.035 0.000 0.807 117 P CB 0.131 31.975 31.700 0.240 0.000 1.072 118 L N 1.372 122.228 121.223 -0.611 0.000 2.129 118 L HA -0.192 4.147 4.340 -0.000 0.000 0.212 118 L C 2.380 178.974 176.870 -0.460 0.000 1.087 118 L CA 2.180 56.443 54.840 -0.961 0.000 0.757 118 L CB -1.322 40.214 42.059 -0.871 0.000 0.896 118 L HN 0.192 nan 8.230 nan 0.000 0.434 119 N N -1.392 117.155 118.700 -0.256 0.000 2.520 119 N HA -0.119 4.621 4.740 -0.000 0.000 0.185 119 N C 1.060 176.554 175.510 -0.026 0.000 1.068 119 N CA 0.852 53.812 53.050 -0.149 0.000 0.911 119 N CB 0.031 38.402 38.487 -0.193 0.000 0.961 119 N HN 0.112 nan 8.380 nan 0.000 0.446 120 S N -0.939 114.753 115.700 -0.014 0.000 2.730 120 S HA 0.144 4.613 4.470 -0.000 0.000 0.244 120 S C -0.704 173.940 174.600 0.074 0.000 1.022 120 S CA -0.789 57.447 58.200 0.060 0.000 1.014 120 S CB 0.031 63.204 63.200 -0.044 0.000 0.963 120 S HN 0.284 nan 8.310 nan 0.000 0.540 121 W N 2.972 124.113 121.300 -0.264 0.000 2.170 121 W HA 0.293 4.952 4.660 -0.001 0.000 0.336 121 W C -2.034 174.256 176.519 -0.382 0.000 1.283 121 W CA -2.021 54.992 57.345 -0.554 0.000 1.224 121 W CB -0.229 28.982 29.460 -0.415 0.000 1.132 121 W HN 0.078 nan 8.180 nan 0.000 0.571 122 P HA -0.210 nan 4.420 nan 0.000 0.215 122 P C 1.230 178.421 177.300 -0.182 0.000 1.153 122 P CA 1.847 64.807 63.100 -0.233 0.000 0.853 122 P CB 0.345 31.953 31.700 -0.152 0.000 0.788 123 D N -1.299 119.054 120.400 -0.079 0.000 2.263 123 D HA -0.082 4.557 4.640 -0.000 0.000 0.208 123 D C 0.923 177.259 176.300 0.061 0.000 0.971 123 D CA 0.915 54.917 54.000 0.003 0.000 0.867 123 D CB -0.781 39.983 40.800 -0.060 0.000 0.929 123 D HN 0.273 nan 8.370 nan 0.000 0.492 124 N N -0.838 117.847 118.700 -0.025 0.000 2.276 124 N HA 0.027 4.766 4.740 -0.000 0.000 0.212 124 N C -0.405 174.823 175.510 -0.470 0.000 1.127 124 N CA -0.113 52.910 53.050 -0.046 0.000 0.834 124 N CB 0.553 39.058 38.487 0.031 0.000 1.014 124 N HN -0.107 nan 8.380 nan 0.000 0.491 125 T N 1.759 115.758 114.554 -0.925 0.000 2.866 125 T HA -0.055 4.295 4.350 -0.000 0.000 0.293 125 T C 0.798 174.906 174.700 -0.987 0.000 1.005 125 T CA 0.276 61.221 62.100 -1.925 0.000 1.162 125 T CB 0.230 68.296 68.868 -1.337 0.000 0.968 125 T HN 0.359 nan 8.240 nan 0.000 0.530 126 N N 0.775 119.016 118.700 -0.765 0.000 2.936 126 N HA -0.162 4.577 4.740 -0.000 0.000 0.236 126 N C 0.839 176.213 175.510 -0.227 0.000 0.930 126 N CA 0.612 53.485 53.050 -0.295 0.000 0.966 126 N CB -1.246 37.004 38.487 -0.394 0.000 1.090 126 N HN 0.592 nan 8.380 nan 0.000 0.592 127 L N 1.066 122.214 121.223 -0.124 0.000 2.478 127 L HA -0.086 4.253 4.340 -0.000 0.000 0.223 127 L C 2.037 178.883 176.870 -0.040 0.000 1.140 127 L CA 1.193 55.985 54.840 -0.080 0.000 0.842 127 L CB -0.293 41.727 42.059 -0.064 0.000 0.953 127 L HN 0.236 nan 8.230 nan 0.000 0.452 128 D N 0.103 120.539 120.400 0.061 0.000 2.178 128 D HA -0.207 4.433 4.640 -0.000 0.000 0.202 128 D C 1.646 177.900 176.300 -0.077 0.000 0.974 128 D CA 0.953 54.937 54.000 -0.026 0.000 0.841 128 D CB -0.134 40.642 40.800 -0.040 0.000 0.953 128 D HN 0.187 nan 8.370 nan 0.000 0.478 129 K N 1.280 121.583 120.400 -0.161 0.000 2.057 129 K HA 0.045 4.365 4.320 -0.000 0.000 0.206 129 K C 2.391 178.947 176.600 -0.072 0.000 1.050 129 K CA 1.178 57.365 56.287 -0.167 0.000 0.935 129 K CB -0.788 31.205 32.500 -0.846 0.000 0.715 129 K HN 0.260 nan 8.250 nan 0.000 0.439 130 A N 2.134 124.881 122.820 -0.123 0.000 1.883 130 A HA -0.192 4.127 4.320 -0.000 0.000 0.217 130 A C 2.312 179.911 177.584 0.026 0.000 1.186 130 A CA 1.545 53.543 52.037 -0.065 0.000 0.624 130 A CB -0.458 18.521 19.000 -0.035 0.000 0.822 130 A HN 0.262 nan 8.150 nan 0.000 0.444 131 R N -1.354 119.160 120.500 0.023 0.000 2.081 131 R HA -0.140 4.200 4.340 -0.000 0.000 0.235 131 R C 2.435 178.863 176.300 0.215 0.000 1.131 131 R CA 1.583 57.724 56.100 0.069 0.000 0.960 131 R CB -0.305 29.900 30.300 -0.158 0.000 0.856 131 R HN 0.399 nan 8.270 nan 0.000 0.436 132 R N 1.354 121.948 120.500 0.158 0.000 2.120 132 R HA -0.038 4.301 4.340 -0.000 0.000 0.234 132 R C 1.938 178.511 176.300 0.455 0.000 1.123 132 R CA 1.221 57.488 56.100 0.278 0.000 0.975 132 R CB -0.559 29.845 30.300 0.174 0.000 0.866 132 R HN 0.218 nan 8.270 nan 0.000 0.446 133 L N -0.212 121.216 121.223 0.341 0.000 2.376 133 L HA -0.039 4.301 4.340 -0.000 0.000 0.219 133 L C 1.564 178.549 176.870 0.191 0.000 1.133 133 L CA 0.658 55.622 54.840 0.207 0.000 0.816 133 L CB -0.110 41.852 42.059 -0.160 0.000 0.933 133 L HN 0.192 nan 8.230 nan 0.000 0.449 134 L N -1.737 119.649 121.223 0.272 0.000 2.567 134 L HA -0.092 4.248 4.340 -0.000 0.000 0.225 134 L C 2.140 179.146 176.870 0.227 0.000 1.119 134 L CA 0.106 55.087 54.840 0.234 0.000 0.871 134 L CB -0.358 41.883 42.059 0.303 0.000 1.036 134 L HN 0.490 nan 8.230 nan 0.000 0.459 135 W N 3.110 124.543 121.300 0.222 0.000 2.358 135 W HA -0.138 4.522 4.660 -0.001 0.000 0.303 135 W C -1.018 175.524 176.519 0.037 0.000 1.208 135 W CA 1.063 58.501 57.345 0.155 0.000 1.274 135 W CB -1.101 28.544 29.460 0.309 0.000 1.138 135 W HN 0.094 nan 8.180 nan 0.000 0.515 136 P HA -0.214 nan 4.420 nan 0.000 0.216 136 P C 1.674 178.744 177.300 -0.382 0.000 1.150 136 P CA 2.232 65.049 63.100 -0.472 0.000 0.843 136 P CB -0.317 31.296 31.700 -0.146 0.000 0.787 137 I N -0.937 119.518 120.570 -0.192 0.000 2.252 137 I HA -0.218 3.952 4.170 -0.000 0.000 0.245 137 I C 2.343 178.408 176.117 -0.086 0.000 1.102 137 I CA 1.249 62.522 61.300 -0.045 0.000 1.385 137 I CB -0.359 37.670 38.000 0.049 0.000 1.064 137 I HN -0.134 nan 8.210 nan 0.000 0.414 138 K N 1.243 121.470 120.400 -0.289 0.000 2.097 138 K HA -0.232 4.088 4.320 -0.000 0.000 0.206 138 K C 2.112 178.489 176.600 -0.372 0.000 1.049 138 K CA 1.537 57.604 56.287 -0.366 0.000 0.933 138 K CB -0.284 31.768 32.500 -0.747 0.000 0.717 138 K HN 0.288 nan 8.250 nan 0.000 0.442 139 Q N 0.234 119.575 119.800 -0.766 0.000 2.079 139 Q HA -0.193 4.146 4.340 -0.000 0.000 0.200 139 Q C 1.976 177.743 176.000 -0.388 0.000 0.974 139 Q CA 1.785 57.121 55.803 -0.778 0.000 0.840 139 Q CB -0.098 27.881 28.738 -1.265 0.000 0.898 139 Q HN 0.334 nan 8.270 nan 0.000 0.430 140 K N -0.766 119.408 120.400 -0.377 0.000 2.025 140 K HA -0.162 4.157 4.320 -0.000 0.000 0.207 140 K C 1.374 177.685 176.600 -0.483 0.000 1.049 140 K CA 1.425 57.466 56.287 -0.410 0.000 0.933 140 K CB -0.079 32.134 32.500 -0.478 0.000 0.714 140 K HN 0.268 nan 8.250 nan 0.000 0.438 141 Y N 0.277 120.513 120.300 -0.107 0.000 2.523 141 Y HA 0.163 4.712 4.550 -0.000 0.000 0.279 141 Y C 1.530 177.421 175.900 -0.014 0.000 1.139 141 Y CA 0.294 58.363 58.100 -0.050 0.000 1.296 141 Y CB 0.193 38.633 38.460 -0.034 0.000 1.045 141 Y HN 0.374 nan 8.280 nan 0.000 0.538 142 G N 1.293 110.127 108.800 0.057 0.000 2.634 142 G HA2 -0.449 3.511 3.960 -0.000 0.000 0.309 142 G HA3 -0.449 3.511 3.960 -0.000 0.000 0.309 142 G C 0.976 175.977 174.900 0.168 0.000 1.265 142 G CA 0.723 45.875 45.100 0.086 0.000 0.998 142 G HN 0.368 nan 8.290 nan 0.000 0.551 143 N N 1.062 119.887 118.700 0.208 0.000 2.519 143 N HA -0.044 4.695 4.740 -0.000 0.000 0.186 143 N C 1.885 177.683 175.510 0.481 0.000 1.062 143 N CA 1.385 54.639 53.050 0.339 0.000 0.910 143 N CB -0.119 38.593 38.487 0.375 0.000 0.958 143 N HN 0.665 nan 8.380 nan 0.000 0.445 144 K N -0.081 120.514 120.400 0.325 0.000 2.426 144 K HA 0.084 4.404 4.320 -0.000 0.000 0.193 144 K C -0.056 176.717 176.600 0.289 0.000 1.028 144 K CA 0.048 56.483 56.287 0.246 0.000 1.047 144 K CB 0.510 33.077 32.500 0.111 0.000 0.821 144 K HN -0.022 nan 8.250 nan 0.000 0.513 145 L N 1.340 122.768 121.223 0.342 0.000 2.427 145 L HA 0.174 4.514 4.340 -0.000 0.000 0.264 145 L C -0.329 176.677 176.870 0.227 0.000 0.989 145 L CA -0.548 54.471 54.840 0.298 0.000 0.865 145 L CB 1.270 43.429 42.059 0.167 0.000 1.209 145 L HN 0.004 nan 8.230 nan 0.000 0.430 146 S N 2.110 117.951 115.700 0.235 0.000 2.584 146 S HA 0.098 4.568 4.470 -0.000 0.000 0.270 146 S C 0.916 175.556 174.600 0.067 0.000 1.346 146 S CA -0.144 58.047 58.200 -0.016 0.000 1.018 146 S CB 0.401 63.392 63.200 -0.349 0.000 0.899 146 S HN 0.751 nan 8.310 nan 0.000 0.542 147 W N 1.266 122.546 121.300 -0.033 0.000 2.374 147 W HA -0.019 4.641 4.660 -0.001 0.000 0.288 147 W C 2.693 179.179 176.519 -0.054 0.000 1.218 147 W CA 0.960 58.286 57.345 -0.032 0.000 1.245 147 W CB -0.463 28.921 29.460 -0.126 0.000 1.126 147 W HN 0.948 nan 8.180 nan 0.000 0.545 148 A N 0.117 123.019 122.820 0.136 0.000 1.877 148 A HA -0.238 4.082 4.320 -0.000 0.000 0.216 148 A C 1.677 179.307 177.584 0.076 0.000 1.186 148 A CA 2.192 54.252 52.037 0.038 0.000 0.620 148 A CB -0.838 18.125 19.000 -0.061 0.000 0.822 148 A HN 0.150 nan 8.150 nan 0.000 0.443 149 D N -0.582 119.898 120.400 0.134 0.000 2.117 149 D HA -0.096 4.543 4.640 -0.000 0.000 0.198 149 D C 1.878 178.330 176.300 0.253 0.000 0.982 149 D CA 1.127 55.258 54.000 0.219 0.000 0.828 149 D CB -0.430 40.611 40.800 0.401 0.000 0.967 149 D HN 0.305 nan 8.370 nan 0.000 0.464 150 L N 1.095 122.460 121.223 0.237 0.000 2.012 150 L HA -0.127 4.212 4.340 -0.000 0.000 0.210 150 L C 2.130 179.119 176.870 0.198 0.000 1.073 150 L CA 1.442 56.408 54.840 0.210 0.000 0.748 150 L CB -0.593 41.539 42.059 0.122 0.000 0.891 150 L HN 0.002 nan 8.230 nan 0.000 0.431 151 I N -0.593 120.105 120.570 0.213 0.000 2.315 151 I HA -0.248 3.922 4.170 -0.000 0.000 0.248 151 I C 2.459 178.650 176.117 0.123 0.000 1.117 151 I CA 1.102 62.502 61.300 0.167 0.000 1.404 151 I CB -0.583 37.491 38.000 0.124 0.000 1.071 151 I HN 0.350 nan 8.210 nan 0.000 0.419 152 A N -0.558 122.330 122.820 0.113 0.000 2.014 152 A HA -0.198 4.122 4.320 -0.000 0.000 0.218 152 A C 2.252 179.936 177.584 0.166 0.000 1.163 152 A CA 1.013 53.108 52.037 0.098 0.000 0.652 152 A CB -0.693 18.331 19.000 0.039 0.000 0.808 152 A HN 0.545 nan 8.150 nan 0.000 0.449 153 Y N -0.466 119.744 120.300 -0.151 0.000 2.397 153 Y HA 0.104 4.654 4.550 -0.000 0.000 0.292 153 Y C 2.655 178.431 175.900 -0.206 0.000 1.115 153 Y CA 0.386 58.126 58.100 -0.599 0.000 1.208 153 Y CB -0.019 37.922 38.460 -0.864 0.000 1.046 153 Y HN 0.386 nan 8.280 nan 0.000 0.552 154 A N 0.670 123.507 122.820 0.029 0.000 1.896 154 A HA -0.319 4.001 4.320 -0.000 0.000 0.220 154 A C 2.319 179.950 177.584 0.078 0.000 1.206 154 A CA 2.302 54.349 52.037 0.016 0.000 0.647 154 A CB -1.745 17.308 19.000 0.088 0.000 0.828 154 A HN 0.581 nan 8.150 nan 0.000 0.455 155 G N -2.159 106.793 108.800 0.254 0.000 2.432 155 G HA2 -0.088 3.871 3.960 -0.000 0.000 0.219 155 G HA3 -0.088 3.871 3.960 -0.000 0.000 0.219 155 G C 1.527 176.682 174.900 0.426 0.000 1.135 155 G CA 1.616 46.954 45.100 0.397 0.000 0.767 155 G HN 0.463 nan 8.290 nan 0.000 0.550 156 T N 1.414 116.277 114.554 0.514 0.000 2.737 156 T HA -0.032 4.318 4.350 -0.000 0.000 0.265 156 T C 2.344 177.126 174.700 0.137 0.000 1.038 156 T CA 0.656 63.058 62.100 0.503 0.000 1.144 156 T CB -0.073 69.089 68.868 0.489 0.000 0.866 156 T HN 0.094 nan 8.240 nan 0.000 0.434 157 I N 1.578 122.063 120.570 -0.141 0.000 2.315 157 I HA -0.082 4.088 4.170 -0.000 0.000 0.248 157 I C 2.878 178.973 176.117 -0.038 0.000 1.117 157 I CA 0.921 62.100 61.300 -0.201 0.000 1.404 157 I CB -1.502 36.254 38.000 -0.408 0.000 1.071 157 I HN 0.173 nan 8.210 nan 0.000 0.419 158 A N 0.315 123.133 122.820 -0.004 0.000 1.883 158 A HA -0.252 4.068 4.320 -0.000 0.000 0.217 158 A C 2.305 179.889 177.584 0.000 0.000 1.186 158 A CA 1.446 53.501 52.037 0.031 0.000 0.624 158 A CB -1.144 17.852 19.000 -0.008 0.000 0.822 158 A HN 0.384 nan 8.150 nan 0.000 0.444 159 Y N -0.039 120.251 120.300 -0.018 0.000 2.165 159 Y HA -0.223 4.327 4.550 -0.000 0.000 0.286 159 Y C 2.801 178.661 175.900 -0.066 0.000 1.155 159 Y CA 1.381 59.429 58.100 -0.087 0.000 1.164 159 Y CB 0.034 38.354 38.460 -0.234 0.000 0.978 159 Y HN 0.293 nan 8.280 nan 0.000 0.513 160 E N -0.102 120.166 120.200 0.114 0.000 2.038 160 E HA -0.224 4.125 4.350 -0.000 0.000 0.195 160 E C 2.358 178.995 176.600 0.063 0.000 1.000 160 E CA 1.695 58.127 56.400 0.053 0.000 0.803 160 E CB -0.625 29.093 29.700 0.030 0.000 0.750 160 E HN 0.497 nan 8.360 nan 0.000 0.448 161 S N 0.079 115.828 115.700 0.081 0.000 2.419 161 S HA -0.107 4.363 4.470 -0.000 0.000 0.233 161 S C 1.931 176.620 174.600 0.148 0.000 1.016 161 S CA 1.018 59.288 58.200 0.118 0.000 0.974 161 S CB -0.252 63.043 63.200 0.157 0.000 0.786 161 S HN 0.173 nan 8.310 nan 0.000 0.492 162 M N 0.662 120.336 119.600 0.124 0.000 2.495 162 M HA 0.312 4.792 4.480 -0.000 0.000 0.237 162 M C 1.592 177.986 176.300 0.156 0.000 1.131 162 M CA 0.619 55.976 55.300 0.094 0.000 1.032 162 M CB 0.483 33.099 32.600 0.026 0.000 1.513 162 M HN 0.627 nan 8.290 nan 0.000 0.488 163 G N 0.386 109.260 108.800 0.123 0.000 2.211 163 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.201 163 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.201 163 G C -0.152 174.721 174.900 -0.045 0.000 0.997 163 G CA -0.669 44.493 45.100 0.104 0.000 0.652 163 G HN 0.316 nan 8.290 nan 0.000 0.500 164 L N 2.127 123.241 121.223 -0.182 0.000 2.326 164 L HA 0.472 4.812 4.340 -0.000 0.000 0.278 164 L C 0.174 176.845 176.870 -0.331 0.000 1.092 164 L CA -0.518 53.966 54.840 -0.595 0.000 0.810 164 L CB 0.899 42.440 42.059 -0.862 0.000 1.153 164 L HN 0.223 nan 8.230 nan 0.000 0.439 165 K N 3.384 123.581 120.400 -0.339 0.000 2.262 165 K HA 0.181 4.501 4.320 -0.000 0.000 0.288 165 K C 0.068 176.572 176.600 -0.160 0.000 1.090 165 K CA -0.485 55.697 56.287 -0.176 0.000 0.918 165 K CB -0.341 32.080 32.500 -0.131 0.000 1.139 165 K HN 0.611 nan 8.250 nan 0.000 0.462 166 T N -0.539 113.971 114.554 -0.073 0.000 2.813 166 T HA 0.168 4.518 4.350 -0.000 0.000 0.297 166 T C 0.708 175.461 174.700 0.088 0.000 1.036 166 T CA -0.600 61.513 62.100 0.021 0.000 1.044 166 T CB 0.426 69.387 68.868 0.155 0.000 0.993 166 T HN 0.419 nan 8.240 nan 0.000 0.535 167 F N 0.990 120.906 119.950 -0.057 0.000 2.416 167 F HA 0.439 4.966 4.527 -0.001 0.000 0.296 167 F C 1.225 176.881 175.800 -0.241 0.000 1.099 167 F CA 0.967 58.865 58.000 -0.170 0.000 1.427 167 F CB -0.244 38.621 39.000 -0.225 0.000 1.079 167 F HN 1.186 nan 8.300 nan 0.000 0.536 168 G N -0.859 107.928 108.800 -0.022 0.000 2.356 168 G HA2 0.329 4.289 3.960 -0.000 0.000 0.300 168 G HA3 0.329 4.289 3.960 -0.000 0.000 0.300 168 G C -2.182 172.969 174.900 0.419 0.000 1.331 168 G CA -0.537 44.536 45.100 -0.045 0.000 0.905 168 G HN 0.160 nan 8.290 nan 0.000 0.587 169 F N -0.043 120.022 119.950 0.192 0.000 2.672 169 F HA 0.762 5.289 4.527 -0.000 0.000 0.311 169 F C -0.802 175.035 175.800 0.062 0.000 1.113 169 F CA 0.050 58.177 58.000 0.212 0.000 0.996 169 F CB 1.741 40.752 39.000 0.019 0.000 1.286 169 F HN 1.431 nan 8.300 nan 0.000 0.441 170 A N 4.701 127.000 122.820 -0.869 0.000 2.374 170 A HA 0.777 5.097 4.320 -0.000 0.000 0.305 170 A C -1.702 175.151 177.584 -1.218 0.000 1.053 170 A CA -0.424 51.195 52.037 -0.697 0.000 0.726 170 A CB 0.641 19.378 19.000 -0.440 0.000 1.229 170 A HN 0.587 nan 8.150 nan 0.000 0.431 171 F N 0.769 120.409 119.950 -0.517 0.000 2.348 171 F HA 0.623 5.150 4.527 -0.001 0.000 0.308 171 F C 1.582 177.254 175.800 -0.213 0.000 1.175 171 F CA 0.955 58.779 58.000 -0.294 0.000 1.080 171 F CB 1.368 40.311 39.000 -0.095 0.000 1.341 171 F HN 0.919 nan 8.300 nan 0.000 0.518 172 G N 0.333 109.246 108.800 0.189 0.000 2.370 172 G HA2 -0.146 3.813 3.960 -0.000 0.000 0.174 172 G HA3 -0.146 3.813 3.960 -0.000 0.000 0.174 172 G C -0.082 174.917 174.900 0.166 0.000 1.002 172 G CA -0.870 44.319 45.100 0.147 0.000 0.730 172 G HN 0.478 nan 8.290 nan 0.000 0.497 173 R N 2.017 122.590 120.500 0.123 0.000 2.210 173 R HA 0.401 4.740 4.340 -0.000 0.000 0.338 173 R C 0.316 176.578 176.300 -0.063 0.000 1.062 173 R CA -0.391 55.703 56.100 -0.010 0.000 0.902 173 R CB 0.634 30.874 30.300 -0.100 0.000 1.050 173 R HN 0.505 nan 8.270 nan 0.000 0.461 174 E N 2.966 123.117 120.200 -0.081 0.000 2.331 174 E HA 0.067 4.417 4.350 -0.000 0.000 0.272 174 E C -0.692 175.777 176.600 -0.220 0.000 1.036 174 E CA -0.434 55.845 56.400 -0.201 0.000 0.864 174 E CB 0.907 30.611 29.700 0.007 0.000 1.035 174 E HN 0.279 nan 8.360 nan 0.000 0.408 175 D N 2.114 122.350 120.400 -0.273 0.000 2.362 175 D HA 0.275 4.915 4.640 -0.000 0.000 0.242 175 D C 0.488 176.515 176.300 -0.456 0.000 1.132 175 D CA -0.160 53.631 54.000 -0.348 0.000 0.907 175 D CB 0.706 41.249 40.800 -0.428 0.000 1.195 175 D HN 0.498 nan 8.370 nan 0.000 0.429 176 I N -2.813 117.408 120.570 -0.581 0.000 2.982 176 I HA 0.554 4.724 4.170 -0.000 0.000 0.312 176 I C -0.303 175.279 176.117 -0.891 0.000 1.041 176 I CA -0.898 60.052 61.300 -0.584 0.000 1.053 176 I CB 1.692 39.440 38.000 -0.419 0.000 1.248 176 I HN 0.336 nan 8.210 nan 0.000 0.471 177 W N 1.160 122.364 121.300 -0.159 0.000 2.518 177 W HA 0.311 4.971 4.660 -0.000 0.000 0.352 177 W C 0.101 176.229 176.519 -0.652 0.000 0.952 177 W CA -0.047 57.185 57.345 -0.188 0.000 1.624 177 W CB 0.271 29.745 29.460 0.024 0.000 1.135 177 W HN 0.667 nan 8.180 nan 0.000 0.540 178 H N -2.798 115.774 119.070 -0.830 0.000 2.987 178 H HA 0.317 4.872 4.556 -0.000 0.000 0.316 178 H C -3.127 171.869 175.328 -0.553 0.000 1.380 178 H CA -2.283 53.286 56.048 -0.799 0.000 1.160 178 H CB 0.737 30.335 29.762 -0.274 0.000 1.865 178 H HN -0.407 nan 8.280 nan 0.000 0.521 179 P HA -0.017 nan 4.420 nan 0.000 0.266 179 P C -0.519 176.868 177.300 0.144 0.000 1.186 179 P CA 0.413 63.553 63.100 0.066 0.000 0.767 179 P CB 0.493 32.272 31.700 0.132 0.000 0.820 180 E N 2.111 122.398 120.200 0.146 0.000 1.932 180 E HA 0.020 4.369 4.350 -0.000 0.000 0.275 180 E C 0.728 177.397 176.600 0.115 0.000 1.159 180 E CA -0.106 56.379 56.400 0.142 0.000 0.905 180 E CB 0.143 29.909 29.700 0.111 0.000 1.059 180 E HN 0.321 nan 8.360 nan 0.000 0.400 181 K N 1.948 122.411 120.400 0.106 0.000 2.280 181 K HA -0.151 4.169 4.320 -0.000 0.000 0.202 181 K C 1.292 177.911 176.600 0.033 0.000 1.047 181 K CA 1.209 57.540 56.287 0.074 0.000 0.942 181 K CB 0.098 32.628 32.500 0.050 0.000 0.739 181 K HN 0.526 nan 8.250 nan 0.000 0.457 182 D N 0.860 121.268 120.400 0.013 0.000 2.317 182 D HA -0.109 4.531 4.640 -0.000 0.000 0.211 182 D C 0.595 176.842 176.300 -0.088 0.000 0.966 182 D CA 0.423 54.413 54.000 -0.017 0.000 0.876 182 D CB -0.019 40.781 40.800 -0.000 0.000 0.927 182 D HN 0.175 nan 8.370 nan 0.000 0.519 183 I N 1.441 121.896 120.570 -0.191 0.000 2.396 183 I HA 0.043 4.212 4.170 -0.000 0.000 0.289 183 I C -0.434 175.399 176.117 -0.474 0.000 1.056 183 I CA -0.833 60.185 61.300 -0.471 0.000 1.365 183 I CB 0.366 37.813 38.000 -0.922 0.000 1.407 183 I HN -0.080 nan 8.210 nan 0.000 0.509 184 Y N 6.707 126.755 120.300 -0.420 0.000 2.425 184 Y HA 0.190 4.740 4.550 -0.001 0.000 0.347 184 Y C -0.062 175.715 175.900 -0.205 0.000 0.976 184 Y CA -1.036 56.932 58.100 -0.220 0.000 1.190 184 Y CB 0.555 38.946 38.460 -0.114 0.000 1.136 184 Y HN 0.583 nan 8.280 nan 0.000 0.517 185 W N 4.349 125.456 121.300 -0.323 0.000 3.003 185 W HA 0.412 5.072 4.660 -0.000 0.000 0.257 185 W C 0.851 177.093 176.519 -0.462 0.000 1.308 185 W CA 0.646 57.854 57.345 -0.230 0.000 1.529 185 W CB 0.505 30.034 29.460 0.115 0.000 1.115 185 W HN 0.981 nan 8.180 nan 0.000 0.659 186 G N -0.694 107.623 108.800 -0.805 0.000 2.353 186 G HA2 -0.037 3.922 3.960 -0.000 0.000 0.308 186 G HA3 -0.037 3.922 3.960 -0.000 0.000 0.308 186 G C -2.502 172.212 174.900 -0.311 0.000 1.418 186 G CA -0.624 44.144 45.100 -0.553 0.000 0.966 186 G HN -0.307 nan 8.290 nan 0.000 0.638 187 P HA 0.128 nan 4.420 nan 0.000 0.240 187 P C 0.351 177.667 177.300 0.027 0.000 1.190 187 P CA 0.502 63.672 63.100 0.116 0.000 0.781 187 P CB 0.344 32.136 31.700 0.153 0.000 0.931 188 E N 1.050 121.232 120.200 -0.030 0.000 2.392 188 E HA 0.069 4.418 4.350 -0.000 0.000 0.264 188 E C 0.578 177.098 176.600 -0.133 0.000 1.024 188 E CA 0.468 56.828 56.400 -0.067 0.000 0.903 188 E CB 0.328 29.984 29.700 -0.074 0.000 0.963 188 E HN 0.137 nan 8.360 nan 0.000 0.432 189 K N 2.287 122.606 120.400 -0.136 0.000 2.593 189 K HA 0.194 4.514 4.320 -0.000 0.000 0.208 189 K C -0.366 176.084 176.600 -0.250 0.000 1.051 189 K CA -0.058 56.119 56.287 -0.183 0.000 1.111 189 K CB 0.550 32.985 32.500 -0.108 0.000 0.849 189 K HN 0.365 nan 8.250 nan 0.000 0.479 190 E N -0.089 119.940 120.200 -0.284 0.000 2.413 190 E HA 0.232 4.582 4.350 -0.000 0.000 0.277 190 E C -1.257 175.171 176.600 -0.287 0.000 0.958 190 E CA -0.662 55.579 56.400 -0.265 0.000 0.779 190 E CB 1.167 30.812 29.700 -0.091 0.000 1.278 190 E HN 0.066 nan 8.360 nan 0.000 0.456 191 W N 2.149 123.437 121.300 -0.021 0.000 2.322 191 W HA 0.304 4.964 4.660 -0.001 0.000 0.307 191 W C 0.853 177.396 176.519 0.040 0.000 1.220 191 W CA -0.605 56.722 57.345 -0.030 0.000 1.210 191 W CB 0.371 29.811 29.460 -0.033 0.000 1.223 191 W HN 0.593 nan 8.180 nan 0.000 0.511 192 F N 3.982 124.043 119.950 0.186 0.000 2.943 192 F HA -0.209 4.318 4.527 -0.000 0.000 0.258 192 F C -1.865 173.979 175.800 0.074 0.000 0.995 192 F CA -1.084 56.965 58.000 0.081 0.000 0.896 192 F CB -0.626 38.407 39.000 0.055 0.000 0.821 192 F HN 0.041 nan 8.300 nan 0.000 0.828 193 P HA 0.349 nan 4.420 nan 0.000 0.278 193 P C -2.551 174.894 177.300 0.241 0.000 1.258 193 P CA -1.281 61.957 63.100 0.230 0.000 0.811 193 P CB 0.604 32.374 31.700 0.117 0.000 1.063 194 P HA 0.000 nan 4.420 nan 0.000 0.270 194 P C 1.098 178.474 177.300 0.127 0.000 1.223 194 P CA 0.157 63.349 63.100 0.154 0.000 0.785 194 P CB 0.159 31.930 31.700 0.120 0.000 0.923 195 S N -1.035 114.724 115.700 0.099 0.000 2.562 195 S HA -0.029 4.441 4.470 -0.000 0.000 0.221 195 S C 0.635 175.291 174.600 0.094 0.000 0.975 195 S CA 0.544 58.814 58.200 0.116 0.000 0.918 195 S CB -1.042 62.145 63.200 -0.021 0.000 0.772 195 S HN 0.513 nan 8.310 nan 0.000 0.531 196 T N 0.742 115.336 114.554 0.068 0.000 3.400 196 T HA 0.552 4.902 4.350 -0.000 0.000 0.362 196 T C -0.475 174.261 174.700 0.060 0.000 1.823 196 T CA -0.805 61.329 62.100 0.056 0.000 1.374 196 T CB -0.216 68.674 68.868 0.037 0.000 1.130 196 T HN 0.227 nan 8.240 nan 0.000 0.744 197 N N 1.510 120.251 118.700 0.067 0.000 2.934 197 N HA 0.472 5.212 4.740 -0.000 0.000 0.253 197 N C -3.067 172.475 175.510 0.054 0.000 1.466 197 N CA -1.279 51.806 53.050 0.057 0.000 0.858 197 N CB 2.399 40.923 38.487 0.063 0.000 1.459 197 N HN 0.143 nan 8.380 nan 0.000 0.532 198 P HA 0.344 nan 4.420 nan 0.000 0.274 198 P C -0.516 176.805 177.300 0.036 0.000 1.237 198 P CA 0.103 63.223 63.100 0.034 0.000 0.793 198 P CB 0.369 32.082 31.700 0.022 0.000 0.977 199 N N -1.692 117.030 118.700 0.035 0.000 2.714 199 N HA -0.160 4.579 4.740 -0.000 0.000 0.250 199 N C -0.140 175.400 175.510 0.050 0.000 1.117 199 N CA 0.894 53.966 53.050 0.037 0.000 0.719 199 N CB -1.640 36.858 38.487 0.019 0.000 1.081 199 N HN 0.417 nan 8.380 nan 0.000 0.557 200 S N 0.114 115.855 115.700 0.068 0.000 2.580 200 S HA 0.254 4.723 4.470 -0.000 0.000 0.274 200 S C 1.450 176.098 174.600 0.080 0.000 1.329 200 S CA -0.426 57.833 58.200 0.098 0.000 1.036 200 S CB 0.895 64.174 63.200 0.133 0.000 0.919 200 S HN 0.403 nan 8.310 nan 0.000 0.515 201 R N 2.462 122.996 120.500 0.056 0.000 2.334 201 R HA 0.191 4.531 4.340 -0.000 0.000 0.220 201 R C -0.811 175.353 176.300 -0.226 0.000 0.917 201 R CA -0.036 56.016 56.100 -0.080 0.000 1.073 201 R CB -0.268 29.936 30.300 -0.159 0.000 1.056 201 R HN 0.564 nan 8.270 nan 0.000 0.506 202 Y N 0.017 120.350 120.300 0.056 0.000 2.393 202 Y HA 0.430 4.980 4.550 -0.001 0.000 0.341 202 Y C 0.282 176.211 175.900 0.049 0.000 0.988 202 Y CA -0.602 57.532 58.100 0.056 0.000 1.078 202 Y CB 2.622 41.116 38.460 0.056 0.000 1.203 202 Y HN -0.127 nan 8.280 nan 0.000 0.453 203 T N 0.963 115.652 114.554 0.225 0.000 2.865 203 T HA 0.556 4.906 4.350 -0.000 0.000 0.294 203 T C 0.418 175.193 174.700 0.126 0.000 1.119 203 T CA 0.197 62.379 62.100 0.136 0.000 1.007 203 T CB 1.282 70.203 68.868 0.088 0.000 1.225 203 T HN 1.037 nan 8.240 nan 0.000 0.515 204 G N 1.892 110.743 108.800 0.085 0.000 2.684 204 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.332 204 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.332 204 G C -0.167 174.774 174.900 0.068 0.000 1.306 204 G CA 0.931 46.073 45.100 0.069 0.000 1.002 204 G HN 0.819 nan 8.290 nan 0.000 0.545 205 D N 0.355 120.792 120.400 0.062 0.000 2.485 205 D HA 0.507 5.147 4.640 -0.000 0.000 0.229 205 D C 0.808 177.141 176.300 0.056 0.000 1.101 205 D CA -0.016 54.005 54.000 0.035 0.000 0.906 205 D CB -0.064 40.742 40.800 0.009 0.000 1.019 205 D HN 0.721 nan 8.370 nan 0.000 0.516 206 R N 2.223 122.763 120.500 0.068 0.000 3.092 206 R HA -0.236 4.104 4.340 -0.000 0.000 0.245 206 R C -0.956 175.550 176.300 0.344 0.000 0.881 206 R CA 0.589 56.750 56.100 0.102 0.000 0.614 206 R CB -1.113 29.129 30.300 -0.098 0.000 1.128 206 R HN 0.536 nan 8.270 nan 0.000 0.483 207 E N 2.020 122.459 120.200 0.398 0.000 2.101 207 E HA 0.140 4.489 4.350 -0.000 0.000 0.260 207 E C -0.727 175.992 176.600 0.197 0.000 0.897 207 E CA -0.920 55.643 56.400 0.272 0.000 0.744 207 E CB 0.736 30.532 29.700 0.159 0.000 1.140 207 E HN 0.240 nan 8.360 nan 0.000 0.419 208 L N 4.031 125.309 121.223 0.092 0.000 2.513 208 L HA 0.041 4.381 4.340 -0.000 0.000 0.272 208 L C 0.269 177.048 176.870 -0.152 0.000 1.187 208 L CA 0.585 55.254 54.840 -0.286 0.000 0.895 208 L CB 0.553 42.510 42.059 -0.171 0.000 1.147 208 L HN 0.552 nan 8.230 nan 0.000 0.483 209 E N 4.431 124.514 120.200 -0.195 0.000 2.694 209 E HA -0.167 4.183 4.350 -0.000 0.000 0.250 209 E C 1.009 177.592 176.600 -0.029 0.000 0.963 209 E CA 0.203 56.564 56.400 -0.064 0.000 0.949 209 E CB 0.341 30.022 29.700 -0.031 0.000 0.911 209 E HN 0.758 nan 8.360 nan 0.000 0.500 210 N N 5.561 124.260 118.700 -0.001 0.000 2.036 210 N HA -0.192 4.548 4.740 -0.000 0.000 0.199 210 N C -0.896 174.617 175.510 0.004 0.000 1.036 210 N CA 2.105 55.158 53.050 0.004 0.000 0.870 210 N CB -0.757 37.734 38.487 0.006 0.000 1.055 210 N HN 0.527 nan 8.380 nan 0.000 0.436 211 P HA -0.101 nan 4.420 nan 0.000 0.215 211 P C 0.549 177.848 177.300 -0.001 0.000 1.153 211 P CA 0.790 63.899 63.100 0.015 0.000 0.853 211 P CB -0.234 31.509 31.700 0.071 0.000 0.788 212 L N -0.374 120.858 121.223 0.015 0.000 2.543 212 L HA 0.100 4.440 4.340 -0.000 0.000 0.285 212 L C 1.373 178.247 176.870 0.006 0.000 1.236 212 L CA 0.194 55.035 54.840 0.002 0.000 0.871 212 L CB -0.210 41.832 42.059 -0.028 0.000 1.121 212 L HN -0.016 nan 8.230 nan 0.000 0.501 213 A N 2.187 125.031 122.820 0.040 0.000 2.589 213 A HA 0.687 5.007 4.320 -0.000 0.000 0.283 213 A C 0.348 178.004 177.584 0.120 0.000 1.187 213 A CA 0.309 52.390 52.037 0.074 0.000 0.957 213 A CB 0.287 19.326 19.000 0.066 0.000 1.175 213 A HN 0.742 nan 8.150 nan 0.000 0.532 214 A N -0.637 122.234 122.820 0.085 0.000 2.454 214 A HA 0.591 4.911 4.320 -0.000 0.000 0.302 214 A C 0.882 178.513 177.584 0.078 0.000 1.079 214 A CA 0.200 52.289 52.037 0.086 0.000 0.731 214 A CB 0.858 19.869 19.000 0.018 0.000 1.299 214 A HN 1.131 nan 8.150 nan 0.000 0.413 215 V N -1.442 118.554 119.914 0.137 0.000 3.217 215 V HA 0.305 4.424 4.120 -0.000 0.000 0.264 215 V C 0.621 176.842 176.094 0.212 0.000 1.135 215 V CA 1.945 64.398 62.300 0.256 0.000 1.142 215 V CB -0.707 31.261 31.823 0.241 0.000 0.754 215 V HN 1.232 nan 8.190 nan 0.000 0.484 216 T N -0.847 113.737 114.554 0.050 0.000 2.700 216 T HA 0.483 4.833 4.350 -0.000 0.000 0.307 216 T C -1.136 173.511 174.700 -0.090 0.000 1.580 216 T CA -0.500 61.611 62.100 0.018 0.000 0.992 216 T CB 1.486 70.372 68.868 0.029 0.000 1.577 216 T HN 0.361 nan 8.240 nan 0.000 0.496 217 M N 2.235 121.792 119.600 -0.072 0.000 2.200 217 M HA 0.507 4.987 4.480 -0.000 0.000 0.355 217 M C 1.221 177.382 176.300 -0.231 0.000 1.283 217 M CA 1.565 56.766 55.300 -0.165 0.000 1.124 217 M CB -0.261 32.280 32.600 -0.098 0.000 1.625 217 M HN 1.192 nan 8.290 nan 0.000 0.463 218 G N 3.746 111.997 108.800 -0.915 0.000 2.175 218 G HA2 -0.167 3.792 3.960 -0.000 0.000 0.244 218 G HA3 -0.167 3.792 3.960 -0.000 0.000 0.244 218 G C -0.255 174.065 174.900 -0.967 0.000 0.982 218 G CA 0.189 44.483 45.100 -1.344 0.000 0.641 218 G HN 0.688 nan 8.290 nan 0.000 0.527 219 L N 0.246 121.039 121.223 -0.715 0.000 2.330 219 L HA 0.579 4.919 4.340 -0.000 0.000 0.271 219 L C 1.763 178.467 176.870 -0.276 0.000 1.013 219 L CA -1.180 53.451 54.840 -0.348 0.000 0.816 219 L CB 1.452 43.385 42.059 -0.210 0.000 1.287 219 L HN -0.015 nan 8.230 nan 0.000 0.435 220 I N 0.339 120.776 120.570 -0.222 0.000 2.185 220 I HA -0.207 3.963 4.170 -0.000 0.000 0.235 220 I C 1.143 177.055 176.117 -0.340 0.000 1.069 220 I CA 1.882 62.958 61.300 -0.374 0.000 1.354 220 I CB 0.038 37.553 38.000 -0.809 0.000 1.093 220 I HN 0.584 nan 8.210 nan 0.000 0.411 221 Y N -1.469 118.861 120.300 0.050 0.000 2.886 221 Y HA 0.379 4.928 4.550 -0.000 0.000 0.244 221 Y C 0.594 176.585 175.900 0.151 0.000 1.017 221 Y CA -0.151 58.022 58.100 0.122 0.000 1.389 221 Y CB 0.357 38.947 38.460 0.218 0.000 1.477 221 Y HN -0.250 nan 8.280 nan 0.000 0.466 222 V N 0.476 120.609 119.914 0.365 0.000 3.074 222 V HA 0.227 4.347 4.120 -0.000 0.000 0.314 222 V C -1.139 175.037 176.094 0.137 0.000 1.117 222 V CA -1.261 61.186 62.300 0.245 0.000 1.014 222 V CB 2.063 34.066 31.823 0.298 0.000 1.057 222 V HN 0.275 nan 8.190 nan 0.000 0.438 223 N N 3.372 122.105 118.700 0.054 0.000 2.430 223 N HA 0.254 4.994 4.740 -0.000 0.000 0.265 223 N C -1.535 174.030 175.510 0.092 0.000 1.100 223 N CA -1.207 51.819 53.050 -0.041 0.000 0.961 223 N CB 1.450 39.853 38.487 -0.140 0.000 1.075 223 N HN 0.421 nan 8.380 nan 0.000 0.478 224 P HA -0.122 nan 4.420 nan 0.000 0.223 224 P C -0.005 177.437 177.300 0.235 0.000 1.151 224 P CA 1.296 64.530 63.100 0.224 0.000 0.787 224 P CB 0.298 32.156 31.700 0.263 0.000 0.788 225 E N -0.475 119.855 120.200 0.216 0.000 2.474 225 E HA 0.314 4.664 4.350 -0.000 0.000 0.194 225 E C 0.841 177.563 176.600 0.203 0.000 1.041 225 E CA 0.167 56.727 56.400 0.268 0.000 0.874 225 E CB 0.145 30.055 29.700 0.349 0.000 0.914 225 E HN 0.251 nan 8.360 nan 0.000 0.498 226 G N 0.212 109.105 108.800 0.154 0.000 2.357 226 G HA2 -0.138 3.821 3.960 -0.000 0.000 0.643 226 G HA3 -0.138 3.821 3.960 -0.000 0.000 0.643 226 G C -0.714 174.231 174.900 0.074 0.000 1.358 226 G CA -1.007 44.159 45.100 0.109 0.000 0.986 226 G HN -0.021 nan 8.290 nan 0.000 0.620 227 V N 1.988 121.934 119.914 0.054 0.000 2.539 227 V HA 0.180 4.300 4.120 -0.000 0.000 0.300 227 V C 1.099 177.208 176.094 0.026 0.000 1.019 227 V CA 1.535 63.849 62.300 0.024 0.000 1.160 227 V CB 0.704 32.528 31.823 0.002 0.000 0.901 227 V HN 0.988 nan 8.190 nan 0.000 0.481 228 D N 4.162 124.574 120.400 0.020 0.000 2.882 228 D HA -0.229 4.411 4.640 -0.000 0.000 0.229 228 D C 1.287 177.669 176.300 0.137 0.000 1.167 228 D CA 1.664 55.705 54.000 0.068 0.000 0.759 228 D CB -1.230 39.605 40.800 0.058 0.000 1.088 228 D HN 1.400 nan 8.370 nan 0.000 0.425 229 G N -0.771 108.112 108.800 0.138 0.000 2.179 229 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.260 229 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.260 229 G C 0.004 175.040 174.900 0.226 0.000 0.977 229 G CA 0.168 45.411 45.100 0.240 0.000 0.641 229 G HN 0.405 nan 8.290 nan 0.000 0.533 230 N N 1.910 120.672 118.700 0.103 0.000 2.469 230 N HA 0.421 5.161 4.740 -0.000 0.000 0.253 230 N C -2.626 172.836 175.510 -0.080 0.000 0.970 230 N CA -1.362 51.685 53.050 -0.005 0.000 0.940 230 N CB 2.089 40.581 38.487 0.009 0.000 1.128 230 N HN 0.206 nan 8.380 nan 0.000 0.503 231 P HA 0.037 nan 4.420 nan 0.000 0.264 231 P C -0.834 176.454 177.300 -0.020 0.000 1.229 231 P CA 0.354 63.368 63.100 -0.145 0.000 0.780 231 P CB 0.546 31.981 31.700 -0.441 0.000 0.808 232 D N 5.614 126.059 120.400 0.076 0.000 2.763 232 D HA 0.165 4.804 4.640 -0.000 0.000 0.235 232 D C -2.007 174.348 176.300 0.092 0.000 1.334 232 D CA -2.277 51.782 54.000 0.099 0.000 0.950 232 D CB 1.948 42.771 40.800 0.040 0.000 1.433 232 D HN 0.068 nan 8.370 nan 0.000 0.580 233 P HA -0.050 nan 4.420 nan 0.000 0.223 233 P C 1.561 178.871 177.300 0.016 0.000 1.151 233 P CA 0.468 63.564 63.100 -0.007 0.000 0.787 233 P CB 0.746 32.346 31.700 -0.165 0.000 0.788 234 L N -0.397 120.837 121.223 0.017 0.000 2.131 234 L HA -0.016 4.323 4.340 -0.000 0.000 0.206 234 L C 2.589 179.485 176.870 0.045 0.000 1.087 234 L CA 1.244 56.095 54.840 0.019 0.000 0.767 234 L CB -0.614 41.446 42.059 0.002 0.000 0.917 234 L HN -0.074 nan 8.230 nan 0.000 0.441 235 K N -0.756 119.671 120.400 0.045 0.000 2.228 235 K HA -0.015 4.305 4.320 -0.000 0.000 0.202 235 K C 2.005 178.669 176.600 0.106 0.000 1.051 235 K CA 1.092 57.412 56.287 0.055 0.000 0.960 235 K CB -0.148 32.362 32.500 0.017 0.000 0.743 235 K HN 0.192 nan 8.250 nan 0.000 0.458 236 T N 1.560 116.173 114.554 0.098 0.000 2.777 236 T HA -0.082 4.267 4.350 -0.000 0.000 0.266 236 T C 2.040 176.827 174.700 0.146 0.000 1.040 236 T CA 1.289 63.461 62.100 0.120 0.000 1.141 236 T CB -0.158 68.778 68.868 0.112 0.000 0.868 236 T HN 0.310 nan 8.240 nan 0.000 0.444 237 A N 1.338 124.243 122.820 0.142 0.000 1.940 237 A HA -0.231 4.089 4.320 -0.000 0.000 0.219 237 A C 2.113 179.795 177.584 0.163 0.000 1.176 237 A CA 1.894 54.047 52.037 0.193 0.000 0.631 237 A CB -0.958 18.123 19.000 0.135 0.000 0.814 237 A HN 0.689 nan 8.150 nan 0.000 0.446 238 H N -0.208 118.895 119.070 0.055 0.000 2.353 238 H HA -0.139 4.416 4.556 -0.001 0.000 0.300 238 H C 1.253 176.643 175.328 0.103 0.000 1.090 238 H CA 1.913 57.992 56.048 0.050 0.000 1.327 238 H CB -0.075 29.705 29.762 0.029 0.000 1.383 238 H HN 0.400 nan 8.280 nan 0.000 0.508 239 D N 0.066 120.562 120.400 0.160 0.000 2.144 239 D HA -0.099 4.541 4.640 -0.000 0.000 0.200 239 D C 2.527 178.923 176.300 0.160 0.000 0.978 239 D CA 0.773 54.864 54.000 0.153 0.000 0.833 239 D CB -0.131 40.788 40.800 0.198 0.000 0.961 239 D HN 0.208 nan 8.370 nan 0.000 0.470 240 V N 0.598 120.614 119.914 0.170 0.000 2.343 240 V HA -0.222 3.898 4.120 -0.000 0.000 0.247 240 V C 2.487 178.688 176.094 0.177 0.000 1.051 240 V CA 1.645 64.052 62.300 0.178 0.000 1.036 240 V CB -0.381 31.478 31.823 0.059 0.000 0.654 240 V HN 0.086 nan 8.190 nan 0.000 0.451 241 R N -0.190 120.397 120.500 0.144 0.000 2.075 241 R HA -0.114 4.225 4.340 -0.000 0.000 0.232 241 R C 2.171 178.514 176.300 0.073 0.000 1.126 241 R CA 1.601 57.771 56.100 0.116 0.000 0.963 241 R CB -0.440 29.860 30.300 0.001 0.000 0.858 241 R HN 0.330 nan 8.270 nan 0.000 0.435 242 V N 0.573 120.474 119.914 -0.022 0.000 2.270 242 V HA -0.258 3.862 4.120 -0.000 0.000 0.245 242 V C 2.476 178.636 176.094 0.110 0.000 1.043 242 V CA 2.322 64.617 62.300 -0.008 0.000 1.014 242 V CB -0.585 31.176 31.823 -0.102 0.000 0.645 242 V HN 0.734 nan 8.190 nan 0.000 0.447 243 T N -1.968 112.698 114.554 0.186 0.000 2.746 243 T HA -0.205 4.145 4.350 -0.000 0.000 0.267 243 T C 1.827 176.658 174.700 0.219 0.000 1.039 243 T CA 1.607 63.848 62.100 0.234 0.000 1.142 243 T CB -0.655 68.410 68.868 0.327 0.000 0.866 243 T HN 0.276 nan 8.240 nan 0.000 0.444 244 F N 2.336 122.297 119.950 0.019 0.000 2.216 244 F HA 0.239 4.766 4.527 -0.001 0.000 0.300 244 F C 2.906 178.716 175.800 0.017 0.000 1.085 244 F CA 0.455 58.418 58.000 -0.062 0.000 1.326 244 F CB -0.879 38.035 39.000 -0.144 0.000 1.027 244 F HN 0.287 nan 8.300 nan 0.000 0.497 245 A N -0.113 122.826 122.820 0.198 0.000 1.930 245 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 245 A C 2.210 179.849 177.584 0.092 0.000 1.175 245 A CA 1.214 53.328 52.037 0.127 0.000 0.627 245 A CB -0.591 18.467 19.000 0.096 0.000 0.815 245 A HN 0.295 nan 8.150 nan 0.000 0.443 246 R N -1.015 119.535 120.500 0.084 0.000 2.339 246 R HA 0.133 4.473 4.340 -0.000 0.000 0.199 246 R C 0.717 177.031 176.300 0.022 0.000 1.018 246 R CA 0.678 56.803 56.100 0.041 0.000 1.036 246 R CB -0.161 30.164 30.300 0.042 0.000 0.899 246 R HN 0.513 nan 8.270 nan 0.000 0.473 247 M N -0.560 119.087 119.600 0.079 0.000 2.576 247 M HA 0.254 4.734 4.480 -0.000 0.000 0.322 247 M C 0.278 176.693 176.300 0.192 0.000 1.184 247 M CA -0.183 55.205 55.300 0.147 0.000 0.967 247 M CB 1.195 33.905 32.600 0.183 0.000 1.372 247 M HN 0.107 nan 8.290 nan 0.000 0.509 248 A N 0.658 123.558 122.820 0.133 0.000 2.826 248 A HA -0.172 4.147 4.320 -0.000 0.000 0.274 248 A C 0.046 177.669 177.584 0.065 0.000 1.443 248 A CA 0.997 53.096 52.037 0.104 0.000 0.833 248 A CB -1.393 17.683 19.000 0.127 0.000 1.023 248 A HN 0.503 nan 8.150 nan 0.000 0.600 249 M N 1.006 120.665 119.600 0.100 0.000 2.311 249 M HA 0.317 4.796 4.480 -0.000 0.000 0.325 249 M C 0.530 176.916 176.300 0.142 0.000 1.061 249 M CA -0.611 54.761 55.300 0.121 0.000 0.957 249 M CB 1.248 33.979 32.600 0.217 0.000 1.646 249 M HN 0.651 nan 8.290 nan 0.000 0.434 250 N N 0.864 119.632 118.700 0.115 0.000 2.476 250 N HA 0.253 4.992 4.740 -0.000 0.000 0.287 250 N C -0.229 175.357 175.510 0.126 0.000 1.262 250 N CA -0.759 52.360 53.050 0.115 0.000 0.980 250 N CB 0.984 39.533 38.487 0.102 0.000 1.163 250 N HN 0.329 nan 8.380 nan 0.000 0.592 251 D N 0.152 120.637 120.400 0.142 0.000 2.116 251 D HA -0.216 4.424 4.640 -0.000 0.000 0.193 251 D C 1.564 177.965 176.300 0.167 0.000 0.998 251 D CA 1.496 55.625 54.000 0.214 0.000 0.836 251 D CB -0.236 40.675 40.800 0.186 0.000 0.951 251 D HN 0.687 nan 8.370 nan 0.000 0.449 252 E N 0.363 120.651 120.200 0.147 0.000 2.051 252 E HA -0.185 4.164 4.350 -0.000 0.000 0.192 252 E C 1.828 178.556 176.600 0.213 0.000 0.991 252 E CA 0.996 57.509 56.400 0.188 0.000 0.799 252 E CB 0.088 29.903 29.700 0.193 0.000 0.748 252 E HN 0.320 nan 8.360 nan 0.000 0.449 253 E N -0.435 119.845 120.200 0.133 0.000 2.110 253 E HA -0.156 4.193 4.350 -0.000 0.000 0.193 253 E C 2.075 178.707 176.600 0.053 0.000 0.988 253 E CA 1.570 58.023 56.400 0.090 0.000 0.804 253 E CB -0.017 29.720 29.700 0.061 0.000 0.745 253 E HN 0.258 nan 8.360 nan 0.000 0.458 254 T N 0.656 115.198 114.554 -0.020 0.000 2.737 254 T HA -0.111 4.239 4.350 -0.000 0.000 0.265 254 T C 2.134 176.607 174.700 -0.377 0.000 1.038 254 T CA 1.061 62.972 62.100 -0.316 0.000 1.144 254 T CB -0.199 68.403 68.868 -0.444 0.000 0.866 254 T HN -0.019 nan 8.240 nan 0.000 0.434 255 V N 1.792 121.578 119.914 -0.213 0.000 2.343 255 V HA -0.153 3.966 4.120 -0.000 0.000 0.247 255 V C 2.891 179.063 176.094 0.130 0.000 1.051 255 V CA 1.624 63.861 62.300 -0.105 0.000 1.036 255 V CB -1.256 30.619 31.823 0.086 0.000 0.654 255 V HN 0.523 nan 8.190 nan 0.000 0.451 256 A N -0.031 122.956 122.820 0.278 0.000 1.865 256 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 256 A C 2.232 179.949 177.584 0.221 0.000 1.191 256 A CA 1.992 54.155 52.037 0.210 0.000 0.623 256 A CB -0.606 18.465 19.000 0.119 0.000 0.826 256 A HN 0.485 nan 8.150 nan 0.000 0.444 257 L N -0.749 120.557 121.223 0.139 0.000 2.017 257 L HA -0.190 4.150 4.340 -0.000 0.000 0.208 257 L C 2.877 179.628 176.870 -0.198 0.000 1.073 257 L CA 1.892 56.817 54.840 0.143 0.000 0.745 257 L CB -1.067 41.026 42.059 0.056 0.000 0.894 257 L HN 0.389 nan 8.230 nan 0.000 0.432 258 T N -0.067 114.246 114.554 -0.403 0.000 2.652 258 T HA -0.226 4.124 4.350 -0.000 0.000 0.267 258 T C 1.983 176.102 174.700 -0.968 0.000 1.039 258 T CA 1.529 63.216 62.100 -0.688 0.000 1.153 258 T CB -0.362 68.145 68.868 -0.601 0.000 0.863 258 T HN 0.457 nan 8.240 nan 0.000 0.428 259 A N 1.371 123.660 122.820 -0.885 0.000 1.898 259 A HA 0.165 4.484 4.320 -0.000 0.000 0.216 259 A C 2.664 179.715 177.584 -0.888 0.000 1.181 259 A CA 1.792 52.935 52.037 -1.489 0.000 0.620 259 A CB -1.366 17.085 19.000 -0.915 0.000 0.819 259 A HN 0.520 nan 8.150 nan 0.000 0.442 260 G N -0.683 107.783 108.800 -0.556 0.000 2.422 260 G HA2 0.059 4.019 3.960 -0.000 0.000 0.218 260 G HA3 0.059 4.019 3.960 -0.000 0.000 0.218 260 G C 1.475 175.877 174.900 -0.829 0.000 1.146 260 G CA 1.251 45.692 45.100 -1.099 0.000 0.769 260 G HN 0.685 nan 8.290 nan 0.000 0.547 261 G N -0.141 108.305 108.800 -0.590 0.000 2.404 261 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.215 261 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.215 261 G C 1.407 176.115 174.900 -0.320 0.000 1.174 261 G CA 0.710 45.625 45.100 -0.308 0.000 0.780 261 G HN 0.646 nan 8.290 nan 0.000 0.537 262 H N -0.254 118.367 119.070 -0.748 0.000 2.543 262 H HA 0.123 4.678 4.556 -0.000 0.000 0.269 262 H C 2.090 177.137 175.328 -0.468 0.000 1.005 262 H CA 0.189 55.603 56.048 -1.056 0.000 1.146 262 H CB 0.406 29.061 29.762 -1.845 0.000 1.353 262 H HN 0.226 nan 8.280 nan 0.000 0.595 263 T N 0.811 115.199 114.554 -0.277 0.000 3.035 263 T HA -0.037 4.313 4.350 -0.000 0.000 0.268 263 T C 0.874 175.537 174.700 -0.063 0.000 1.109 263 T CA 0.760 62.739 62.100 -0.201 0.000 1.119 263 T CB -0.064 68.507 68.868 -0.495 0.000 0.900 263 T HN 0.222 nan 8.240 nan 0.000 0.503 264 V N -3.173 116.744 119.914 0.004 0.000 3.102 264 V HA 0.952 5.071 4.120 -0.000 0.000 0.312 264 V C 0.293 176.509 176.094 0.203 0.000 1.135 264 V CA -0.459 61.875 62.300 0.056 0.000 1.022 264 V CB 1.109 32.927 31.823 -0.007 0.000 1.056 264 V HN 0.411 nan 8.190 nan 0.000 0.436 265 G N 1.389 110.346 108.800 0.262 0.000 2.698 265 G HA2 0.050 4.010 3.960 -0.000 0.000 0.233 265 G HA3 0.050 4.010 3.960 -0.000 0.000 0.233 265 G C -0.573 174.678 174.900 0.586 0.000 1.352 265 G CA 0.448 45.830 45.100 0.469 0.000 0.879 265 G HN 2.021 nan 8.290 nan 0.000 0.567 266 K N -2.603 118.088 120.400 0.485 0.000 2.556 266 K HA 0.702 5.022 4.320 -0.000 0.000 0.289 266 K C -0.858 175.647 176.600 -0.158 0.000 1.040 266 K CA -0.746 55.570 56.287 0.048 0.000 0.894 266 K CB 0.904 33.401 32.500 -0.005 0.000 1.547 266 K HN 0.956 nan 8.250 nan 0.000 0.417 267 C N 1.222 120.252 119.300 -0.449 0.000 2.358 267 C HA 0.531 4.990 4.460 -0.000 0.000 0.342 267 C C -0.910 173.880 174.990 -0.332 0.000 1.234 267 C CA -0.427 58.442 59.018 -0.249 0.000 1.969 267 C CB -0.369 27.206 27.740 -0.275 0.000 2.346 267 C HN 0.714 nan 8.230 nan 0.000 0.525 268 H N 0.133 119.201 119.070 -0.002 0.000 2.587 268 H HA 0.566 5.122 4.556 -0.000 0.000 0.325 268 H C 0.509 175.838 175.328 0.000 0.000 1.012 268 H CA -0.012 56.034 56.048 -0.003 0.000 1.213 268 H CB 1.063 30.848 29.762 0.038 0.000 1.431 268 H HN 0.955 nan 8.280 nan 0.000 0.492 269 G N 2.589 111.430 108.800 0.067 0.000 5.338 269 G HA2 -0.062 3.897 3.960 -0.000 0.000 0.198 269 G HA3 -0.062 3.897 3.960 -0.000 0.000 0.198 269 G C -0.500 174.406 174.900 0.009 0.000 0.708 269 G CA -0.583 44.540 45.100 0.039 0.000 0.626 269 G HN 0.481 nan 8.290 nan 0.000 0.419 270 N N 1.078 119.787 118.700 0.015 0.000 3.234 270 N HA 0.577 5.317 4.740 -0.000 0.000 0.272 270 N C 0.453 175.962 175.510 -0.001 0.000 1.254 270 N CA 0.597 53.642 53.050 -0.007 0.000 1.087 270 N CB 0.484 38.958 38.487 -0.021 0.000 1.356 270 N HN 0.648 nan 8.380 nan 0.000 0.511 271 G N 0.641 109.440 108.800 -0.001 0.000 2.313 271 G HA2 0.023 3.982 3.960 -0.000 0.000 0.296 271 G HA3 0.023 3.982 3.960 -0.000 0.000 0.296 271 G C -1.746 173.154 174.900 -0.000 0.000 1.356 271 G CA -1.006 44.095 45.100 0.002 0.000 0.833 271 G HN 0.336 nan 8.290 nan 0.000 0.552 272 N N 0.443 119.144 118.700 0.002 0.000 2.488 272 N HA 0.473 5.213 4.740 -0.000 0.000 0.274 272 N C 1.280 176.797 175.510 0.010 0.000 1.111 272 N CA 0.455 53.503 53.050 -0.002 0.000 0.974 272 N CB 1.691 40.177 38.487 -0.002 0.000 1.089 272 N HN 0.817 nan 8.380 nan 0.000 0.465 273 A N 4.155 126.978 122.820 0.005 0.000 1.897 273 A HA 0.035 4.354 4.320 -0.000 0.000 0.215 273 A C 1.976 179.573 177.584 0.022 0.000 1.181 273 A CA 1.452 53.499 52.037 0.016 0.000 0.620 273 A CB -0.842 18.158 19.000 0.000 0.000 0.821 273 A HN 0.771 nan 8.150 nan 0.000 0.443 274 A N -0.203 122.622 122.820 0.009 0.000 2.131 274 A HA -0.023 4.297 4.320 -0.000 0.000 0.220 274 A C 1.883 179.480 177.584 0.022 0.000 1.158 274 A CA 1.287 53.330 52.037 0.010 0.000 0.665 274 A CB -0.612 18.387 19.000 -0.001 0.000 0.795 274 A HN 0.497 nan 8.150 nan 0.000 0.460 275 L N -0.597 120.642 121.223 0.028 0.000 2.554 275 L HA 0.117 4.457 4.340 -0.000 0.000 0.226 275 L C 0.274 177.177 176.870 0.054 0.000 1.137 275 L CA -0.240 54.620 54.840 0.035 0.000 0.863 275 L CB -0.438 41.640 42.059 0.032 0.000 0.985 275 L HN 0.291 nan 8.230 nan 0.000 0.451 276 L N 0.457 121.723 121.223 0.071 0.000 2.416 276 L HA 0.190 4.529 4.340 -0.000 0.000 0.272 276 L C 1.177 178.101 176.870 0.090 0.000 1.161 276 L CA -0.301 54.603 54.840 0.107 0.000 0.845 276 L CB 0.418 42.570 42.059 0.155 0.000 1.119 276 L HN 0.016 nan 8.230 nan 0.000 0.464 277 G N 3.183 112.029 108.800 0.075 0.000 2.653 277 G HA2 0.326 4.286 3.960 -0.000 0.000 0.265 277 G HA3 0.326 4.286 3.960 -0.000 0.000 0.265 277 G C -2.480 172.420 174.900 0.000 0.000 1.237 277 G CA -0.954 44.161 45.100 0.025 0.000 0.946 277 G HN 0.402 nan 8.290 nan 0.000 0.522 278 P HA 0.084 nan 4.420 nan 0.000 0.268 278 P C 0.212 177.327 177.300 -0.309 0.000 1.208 278 P CA -0.176 62.860 63.100 -0.105 0.000 0.777 278 P CB 0.492 32.136 31.700 -0.093 0.000 0.875 279 E N 3.856 123.839 120.200 -0.362 0.000 2.425 279 E HA -0.002 4.348 4.350 -0.000 0.000 0.258 279 E C -1.944 174.240 176.600 -0.693 0.000 1.151 279 E CA -1.448 54.445 56.400 -0.845 0.000 0.958 279 E CB -1.148 28.367 29.700 -0.308 0.000 0.968 279 E HN 0.221 nan 8.360 nan 0.000 0.451 280 P HA -0.225 nan 4.420 nan 0.000 0.216 280 P C 1.030 178.152 177.300 -0.298 0.000 1.167 280 P CA 1.758 64.534 63.100 -0.541 0.000 0.914 280 P CB 0.151 31.524 31.700 -0.545 0.000 0.793 281 E N -1.396 118.677 120.200 -0.211 0.000 2.333 281 E HA -0.048 4.302 4.350 -0.000 0.000 0.198 281 E C 1.985 178.539 176.600 -0.077 0.000 1.007 281 E CA 1.344 57.683 56.400 -0.101 0.000 0.845 281 E CB -0.857 28.829 29.700 -0.023 0.000 0.766 281 E HN 0.325 nan 8.360 nan 0.000 0.507 282 G N 0.070 108.808 108.800 -0.103 0.000 3.126 282 G HA2 0.313 4.273 3.960 -0.000 0.000 0.224 282 G HA3 0.313 4.273 3.960 -0.000 0.000 0.224 282 G C 0.557 175.400 174.900 -0.095 0.000 1.142 282 G CA 0.350 45.409 45.100 -0.068 0.000 0.759 282 G HN 0.251 nan 8.290 nan 0.000 0.550 283 A N 0.055 122.788 122.820 -0.144 0.000 2.304 283 A HA 0.558 4.877 4.320 -0.000 0.000 0.271 283 A C -0.348 177.174 177.584 -0.103 0.000 1.091 283 A CA -0.347 51.607 52.037 -0.137 0.000 0.812 283 A CB 0.724 19.608 19.000 -0.194 0.000 1.056 283 A HN 0.133 nan 8.150 nan 0.000 0.489 284 D N -0.529 119.821 120.400 -0.084 0.000 2.387 284 D HA 0.264 4.904 4.640 -0.000 0.000 0.251 284 D C 1.761 178.015 176.300 -0.077 0.000 1.141 284 D CA 0.318 54.277 54.000 -0.068 0.000 0.987 284 D CB 1.473 42.243 40.800 -0.051 0.000 1.116 284 D HN 0.418 nan 8.370 nan 0.000 0.491 285 V N 0.492 120.366 119.914 -0.067 0.000 2.546 285 V HA -0.220 3.900 4.120 -0.000 0.000 0.254 285 V C 1.724 177.772 176.094 -0.077 0.000 1.076 285 V CA 2.108 64.365 62.300 -0.072 0.000 1.087 285 V CB -0.886 30.903 31.823 -0.058 0.000 0.674 285 V HN 0.696 nan 8.190 nan 0.000 0.470 286 E N 0.505 120.665 120.200 -0.066 0.000 2.333 286 E HA -0.252 4.097 4.350 -0.000 0.000 0.198 286 E C 1.088 177.639 176.600 -0.081 0.000 1.007 286 E CA 1.540 57.902 56.400 -0.064 0.000 0.845 286 E CB -0.622 29.050 29.700 -0.047 0.000 0.766 286 E HN 0.642 nan 8.360 nan 0.000 0.507 287 D N 1.343 121.685 120.400 -0.097 0.000 2.336 287 D HA -0.019 4.621 4.640 -0.000 0.000 0.229 287 D C 0.101 176.308 176.300 -0.155 0.000 1.061 287 D CA 0.220 54.149 54.000 -0.118 0.000 0.875 287 D CB -0.062 40.660 40.800 -0.130 0.000 0.904 287 D HN 0.239 nan 8.370 nan 0.000 0.525 288 Q N -1.454 118.255 119.800 -0.152 0.000 2.461 288 Q HA -0.260 4.079 4.340 -0.000 0.000 0.273 288 Q C 1.054 176.930 176.000 -0.207 0.000 1.163 288 Q CA 0.400 56.093 55.803 -0.182 0.000 0.929 288 Q CB -1.987 26.619 28.738 -0.221 0.000 1.334 288 Q HN 0.426 nan 8.270 nan 0.000 0.499 289 G N -1.187 107.496 108.800 -0.194 0.000 2.184 289 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.264 289 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.264 289 G C 0.233 174.977 174.900 -0.259 0.000 0.975 289 G CA 0.543 45.513 45.100 -0.218 0.000 0.642 289 G HN 0.326 nan 8.290 nan 0.000 0.536 290 L N -0.289 120.783 121.223 -0.252 0.000 2.448 290 L HA 0.786 5.126 4.340 -0.000 0.000 0.258 290 L C 1.109 177.769 176.870 -0.351 0.000 1.104 290 L CA -0.239 54.439 54.840 -0.271 0.000 0.800 290 L CB 1.293 43.232 42.059 -0.201 0.000 1.241 290 L HN 0.302 nan 8.230 nan 0.000 0.472 291 G N -2.516 106.016 108.800 -0.447 0.000 2.727 291 G HA2 0.406 4.366 3.960 -0.000 0.000 0.289 291 G HA3 0.406 4.366 3.960 -0.000 0.000 0.289 291 G C -1.412 173.282 174.900 -0.344 0.000 1.418 291 G CA -0.503 44.205 45.100 -0.654 0.000 0.818 291 G HN 0.718 nan 8.290 nan 0.000 0.486 292 W N -0.843 120.414 121.300 -0.072 0.000 5.538 292 W HA -0.160 4.500 4.660 -0.000 0.000 0.377 292 W C -0.056 176.456 176.519 -0.012 0.000 1.406 292 W CA -0.029 57.286 57.345 -0.049 0.000 0.940 292 W CB -2.150 27.267 29.460 -0.071 0.000 2.536 292 W HN 0.308 nan 8.180 nan 0.000 1.504 293 I N 1.542 122.178 120.570 0.109 0.000 2.371 293 I HA 0.083 4.252 4.170 -0.000 0.000 0.290 293 I C 1.026 177.210 176.117 0.111 0.000 1.028 293 I CA 0.027 61.396 61.300 0.116 0.000 1.345 293 I CB 0.575 38.607 38.000 0.053 0.000 1.407 293 I HN -0.144 nan 8.210 nan 0.000 0.501 294 N N 6.860 125.643 118.700 0.139 0.000 2.414 294 N HA 0.170 4.909 4.740 -0.000 0.000 0.256 294 N C 0.143 175.703 175.510 0.083 0.000 1.029 294 N CA -0.030 53.083 53.050 0.105 0.000 0.948 294 N CB 1.069 39.623 38.487 0.112 0.000 1.102 294 N HN 0.542 nan 8.380 nan 0.000 0.496 295 K N 1.589 122.024 120.400 0.057 0.000 2.373 295 K HA 0.111 4.431 4.320 -0.000 0.000 0.200 295 K C 0.954 177.574 176.600 0.034 0.000 1.054 295 K CA 0.167 56.481 56.287 0.044 0.000 1.065 295 K CB 0.649 33.168 32.500 0.031 0.000 0.886 295 K HN 0.401 nan 8.250 nan 0.000 0.546 296 T N 1.691 116.265 114.554 0.034 0.000 2.809 296 T HA -0.055 4.295 4.350 -0.000 0.000 0.260 296 T C 0.884 175.598 174.700 0.024 0.000 1.039 296 T CA 1.056 63.171 62.100 0.024 0.000 1.141 296 T CB 0.126 69.007 68.868 0.022 0.000 0.869 296 T HN 0.267 nan 8.240 nan 0.000 0.437 297 Q N 0.088 119.906 119.800 0.029 0.000 2.687 297 Q HA 0.565 4.905 4.340 -0.000 0.000 0.305 297 Q C -0.751 175.269 176.000 0.034 0.000 1.006 297 Q CA -0.797 55.021 55.803 0.025 0.000 0.763 297 Q CB 1.311 30.059 28.738 0.016 0.000 1.506 297 Q HN 0.088 nan 8.270 nan 0.000 0.459 298 S N -0.724 114.989 115.700 0.022 0.000 2.546 298 S HA 0.229 4.699 4.470 -0.000 0.000 0.290 298 S C 0.521 175.137 174.600 0.027 0.000 1.290 298 S CA 0.669 58.882 58.200 0.020 0.000 1.069 298 S CB -0.243 62.955 63.200 -0.004 0.000 0.846 298 S HN 0.729 nan 8.310 nan 0.000 0.495 299 G N 4.321 113.153 108.800 0.053 0.000 3.969 299 G HA2 0.378 4.338 3.960 -0.000 0.000 0.291 299 G HA3 0.378 4.338 3.960 -0.000 0.000 0.291 299 G C 0.091 175.011 174.900 0.034 0.000 1.016 299 G CA -0.263 44.888 45.100 0.085 0.000 0.819 299 G HN 0.870 nan 8.290 nan 0.000 0.493 300 I N -3.731 116.775 120.570 -0.107 0.000 3.108 300 I HA 0.864 5.033 4.170 -0.000 0.000 0.312 300 I C 0.964 176.866 176.117 -0.359 0.000 1.095 300 I CA -0.299 60.761 61.300 -0.400 0.000 1.000 300 I CB 1.939 39.732 38.000 -0.346 0.000 1.229 300 I HN 0.381 nan 8.210 nan 0.000 0.454 301 G N 3.918 112.413 108.800 -0.509 0.000 2.561 301 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.289 301 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.289 301 G C 0.684 175.424 174.900 -0.267 0.000 1.169 301 G CA 0.748 45.629 45.100 -0.365 0.000 0.980 301 G HN 1.175 nan 8.290 nan 0.000 0.550 302 R N 0.883 121.265 120.500 -0.196 0.000 2.276 302 R HA 0.173 4.513 4.340 -0.000 0.000 0.203 302 R C 1.302 177.547 176.300 -0.091 0.000 1.017 302 R CA 1.451 57.465 56.100 -0.142 0.000 1.010 302 R CB -0.199 30.029 30.300 -0.118 0.000 0.900 302 R HN 0.370 nan 8.270 nan 0.000 0.469 303 N N 1.208 119.850 118.700 -0.096 0.000 2.314 303 N HA 0.113 4.853 4.740 -0.000 0.000 0.200 303 N C -0.269 175.226 175.510 -0.024 0.000 1.135 303 N CA 0.362 53.380 53.050 -0.052 0.000 0.835 303 N CB 0.992 39.451 38.487 -0.047 0.000 0.989 303 N HN 0.287 nan 8.380 nan 0.000 0.478 304 A N 0.714 123.511 122.820 -0.039 0.000 2.440 304 A HA 0.378 4.698 4.320 -0.000 0.000 0.251 304 A C 0.133 177.792 177.584 0.125 0.000 1.089 304 A CA 0.014 52.067 52.037 0.027 0.000 0.779 304 A CB 0.565 19.523 19.000 -0.069 0.000 1.022 304 A HN 0.001 nan 8.150 nan 0.000 0.492 305 V N 3.275 123.280 119.914 0.152 0.000 2.483 305 V HA 0.468 4.588 4.120 -0.000 0.000 0.297 305 V C 0.393 176.548 176.094 0.101 0.000 1.027 305 V CA -0.046 62.327 62.300 0.122 0.000 0.855 305 V CB 1.436 33.307 31.823 0.081 0.000 0.995 305 V HN 1.142 nan 8.190 nan 0.000 0.424 306 T N 1.922 116.529 114.554 0.088 0.000 3.364 306 T HA 0.022 4.371 4.350 -0.000 0.000 0.179 306 T C 1.780 176.469 174.700 -0.018 0.000 0.939 306 T CA 0.831 62.927 62.100 -0.007 0.000 1.094 306 T CB 0.125 69.010 68.868 0.028 0.000 1.532 306 T HN 0.692 nan 8.240 nan 0.000 0.346 307 S N 0.541 116.279 115.700 0.063 0.000 2.436 307 S HA 0.314 4.784 4.470 -0.000 0.000 0.228 307 S C 1.911 176.563 174.600 0.085 0.000 1.014 307 S CA 1.330 59.581 58.200 0.087 0.000 0.950 307 S CB -0.245 63.044 63.200 0.149 0.000 0.784 307 S HN 1.111 nan 8.310 nan 0.000 0.504 308 G N 0.708 109.551 108.800 0.072 0.000 2.238 308 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.217 308 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.217 308 G C 0.013 174.938 174.900 0.041 0.000 0.996 308 G CA -0.015 45.115 45.100 0.050 0.000 0.632 308 G HN 0.488 nan 8.290 nan 0.000 0.503 309 L N 0.424 121.679 121.223 0.053 0.000 2.439 309 L HA 0.811 5.150 4.340 -0.000 0.000 0.261 309 L C 0.273 177.121 176.870 -0.036 0.000 1.153 309 L CA -0.485 54.365 54.840 0.017 0.000 0.808 309 L CB 1.314 43.391 42.059 0.030 0.000 1.126 309 L HN 0.261 nan 8.230 nan 0.000 0.460 310 E N 0.457 120.613 120.200 -0.074 0.000 2.263 310 E HA 0.683 5.032 4.350 -0.000 0.000 0.268 310 E C -0.674 175.835 176.600 -0.152 0.000 0.884 310 E CA -0.161 56.170 56.400 -0.114 0.000 0.766 310 E CB 1.898 31.555 29.700 -0.071 0.000 1.196 310 E HN 0.830 nan 8.360 nan 0.000 0.416 311 G N 1.604 110.272 108.800 -0.220 0.000 2.359 311 G HA2 0.507 4.467 3.960 -0.000 0.000 0.314 311 G HA3 0.507 4.467 3.960 -0.000 0.000 0.314 311 G C -1.409 173.285 174.900 -0.344 0.000 1.364 311 G CA -0.314 44.660 45.100 -0.210 0.000 0.978 311 G HN 0.839 nan 8.290 nan 0.000 0.615 312 A N -0.516 122.164 122.820 -0.232 0.000 2.355 312 A HA 0.726 5.046 4.320 -0.000 0.000 0.324 312 A C 0.670 178.142 177.584 -0.186 0.000 1.117 312 A CA -0.508 51.392 52.037 -0.228 0.000 0.785 312 A CB 0.803 19.831 19.000 0.047 0.000 1.254 312 A HN 0.986 nan 8.150 nan 0.000 0.453 313 W N 1.052 122.373 121.300 0.035 0.000 2.467 313 W HA -0.003 4.657 4.660 -0.000 0.000 0.275 313 W C 0.817 177.351 176.519 0.026 0.000 1.239 313 W CA 1.442 58.804 57.345 0.028 0.000 1.266 313 W CB -0.239 29.265 29.460 0.074 0.000 1.112 313 W HN 0.828 nan 8.180 nan 0.000 0.576 314 T N -4.532 110.167 114.554 0.242 0.000 2.916 314 T HA 0.351 4.700 4.350 -0.000 0.000 0.292 314 T C -2.113 172.593 174.700 0.010 0.000 1.055 314 T CA -1.868 60.288 62.100 0.094 0.000 1.009 314 T CB 2.637 71.528 68.868 0.038 0.000 1.118 314 T HN -0.436 nan 8.240 nan 0.000 0.497 315 P HA -0.027 nan 4.420 nan 0.000 0.216 315 P C 0.095 177.441 177.300 0.077 0.000 1.153 315 P CA 1.141 64.199 63.100 -0.069 0.000 0.848 315 P CB -0.024 31.510 31.700 -0.276 0.000 0.787 316 H N -1.708 117.280 119.070 -0.137 0.000 2.486 316 H HA 0.220 4.776 4.556 -0.000 0.000 0.239 316 H C -1.784 173.388 175.328 -0.260 0.000 1.480 316 H CA -3.062 52.855 56.048 -0.218 0.000 1.324 316 H CB -0.083 29.591 29.762 -0.145 0.000 1.486 316 H HN 0.224 nan 8.280 nan 0.000 0.544 317 P HA -0.058 nan 4.420 nan 0.000 0.242 317 P C 0.977 178.092 177.300 -0.307 0.000 1.197 317 P CA 0.676 63.603 63.100 -0.288 0.000 0.765 317 P CB 0.081 31.570 31.700 -0.350 0.000 0.936 318 T N -3.621 110.707 114.554 -0.377 0.000 3.122 318 T HA 0.135 4.484 4.350 -0.000 0.000 0.250 318 T C 0.623 175.194 174.700 -0.216 0.000 1.067 318 T CA -0.358 61.559 62.100 -0.305 0.000 0.966 318 T CB -0.357 68.354 68.868 -0.262 0.000 1.002 318 T HN 0.308 nan 8.240 nan 0.000 0.542 319 Q N -0.147 119.588 119.800 -0.109 0.000 2.345 319 Q HA 0.268 4.608 4.340 -0.000 0.000 0.275 319 Q C -1.320 174.713 176.000 0.055 0.000 1.063 319 Q CA -1.213 54.588 55.803 -0.003 0.000 0.819 319 Q CB 1.342 30.090 28.738 0.016 0.000 1.356 319 Q HN 0.411 nan 8.270 nan 0.000 0.418 320 W N 4.718 126.012 121.300 -0.011 0.000 2.251 320 W HA 0.201 4.861 4.660 -0.001 0.000 0.327 320 W C -1.294 175.239 176.519 0.022 0.000 1.361 320 W CA 1.401 58.747 57.345 0.002 0.000 1.234 320 W CB 0.796 30.256 29.460 0.001 0.000 1.212 320 W HN 1.055 nan 8.180 nan 0.000 0.557 321 D N 2.502 122.439 120.400 -0.772 0.000 2.992 321 D HA 0.080 4.720 4.640 -0.000 0.000 0.349 321 D C -0.593 175.442 176.300 -0.442 0.000 1.393 321 D CA -0.580 53.181 54.000 -0.397 0.000 0.887 321 D CB 0.092 40.804 40.800 -0.147 0.000 1.447 321 D HN 0.239 nan 8.370 nan 0.000 0.524 322 N N -0.842 117.766 118.700 -0.152 0.000 2.273 322 N HA 0.248 4.988 4.740 -0.000 0.000 0.231 322 N C 1.182 176.698 175.510 0.009 0.000 1.134 322 N CA 0.382 53.419 53.050 -0.023 0.000 0.856 322 N CB 1.027 39.552 38.487 0.065 0.000 1.068 322 N HN 0.598 nan 8.380 nan 0.000 0.510 323 G N -0.228 108.530 108.800 -0.070 0.000 2.471 323 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.219 323 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.219 323 G C 1.259 176.152 174.900 -0.011 0.000 1.125 323 G CA 0.309 45.380 45.100 -0.049 0.000 0.775 323 G HN 0.326 nan 8.290 nan 0.000 0.548 324 Y N 0.687 120.885 120.300 -0.170 0.000 2.089 324 Y HA -0.085 4.465 4.550 -0.001 0.000 0.282 324 Y C 2.199 177.884 175.900 -0.358 0.000 1.139 324 Y CA 1.829 59.747 58.100 -0.304 0.000 1.123 324 Y CB -0.205 37.931 38.460 -0.540 0.000 0.980 324 Y HN 0.181 nan 8.280 nan 0.000 0.493 325 F N -0.088 119.850 119.950 -0.020 0.000 2.387 325 F HA 0.272 4.798 4.527 -0.000 0.000 0.294 325 F C 1.629 177.346 175.800 -0.138 0.000 1.093 325 F CA 0.280 58.203 58.000 -0.129 0.000 1.420 325 F CB -0.636 38.351 39.000 -0.021 0.000 1.086 325 F HN -0.006 nan 8.300 nan 0.000 0.531 326 A N 0.930 123.883 122.820 0.222 0.000 2.489 326 A HA 0.233 4.552 4.320 -0.000 0.000 0.289 326 A C 1.544 179.141 177.584 0.022 0.000 1.216 326 A CA -0.113 52.054 52.037 0.217 0.000 0.883 326 A CB -0.364 18.759 19.000 0.204 0.000 1.110 326 A HN 0.208 nan 8.150 nan 0.000 0.523 327 V N 2.248 122.122 119.914 -0.068 0.000 2.453 327 V HA -0.392 3.727 4.120 -0.000 0.000 0.270 327 V C 1.630 177.575 176.094 -0.249 0.000 1.143 327 V CA 1.931 64.072 62.300 -0.265 0.000 1.128 327 V CB -1.480 30.096 31.823 -0.412 0.000 0.711 327 V HN 0.943 nan 8.190 nan 0.000 0.463 328 C N -1.777 117.536 119.300 0.021 0.000 2.574 328 C HA 0.229 4.688 4.460 -0.000 0.000 0.335 328 C C 2.486 177.477 174.990 0.002 0.000 1.493 328 C CA 0.086 59.261 59.018 0.261 0.000 2.217 328 C CB 0.462 28.338 27.740 0.226 0.000 2.056 328 C HN 0.432 nan 8.230 nan 0.000 0.607 329 S N -0.132 115.420 115.700 -0.247 0.000 2.432 329 S HA -0.186 4.284 4.470 -0.000 0.000 0.243 329 S C 1.523 176.086 174.600 -0.062 0.000 1.069 329 S CA 1.721 59.710 58.200 -0.352 0.000 1.047 329 S CB -0.474 62.296 63.200 -0.717 0.000 0.854 329 S HN 0.578 nan 8.310 nan 0.000 0.474 330 L N 0.258 121.424 121.223 -0.094 0.000 2.168 330 L HA 0.079 4.419 4.340 -0.000 0.000 0.203 330 L C 1.681 178.480 176.870 -0.118 0.000 1.078 330 L CA 0.691 55.448 54.840 -0.138 0.000 0.780 330 L CB -0.391 41.459 42.059 -0.349 0.000 0.939 330 L HN 0.197 nan 8.230 nan 0.000 0.451 331 N N -1.222 117.386 118.700 -0.154 0.000 2.422 331 N HA 0.036 4.776 4.740 -0.000 0.000 0.181 331 N C -0.100 175.304 175.510 -0.176 0.000 1.080 331 N CA 0.440 53.373 53.050 -0.196 0.000 0.893 331 N CB 0.250 38.565 38.487 -0.287 0.000 0.973 331 N HN 0.247 nan 8.380 nan 0.000 0.456 332 Y N -0.134 120.178 120.300 0.020 0.000 2.528 332 Y HA 0.285 4.835 4.550 -0.000 0.000 0.335 332 Y C 0.087 175.925 175.900 -0.104 0.000 1.093 332 Y CA -1.325 56.688 58.100 -0.145 0.000 1.134 332 Y CB 1.393 39.605 38.460 -0.413 0.000 1.253 332 Y HN -0.191 nan 8.280 nan 0.000 0.478 333 D N 0.500 120.890 120.400 -0.017 0.000 2.181 333 D HA 0.300 4.939 4.640 -0.000 0.000 0.248 333 D C -1.700 174.493 176.300 -0.178 0.000 1.020 333 D CA -0.343 53.688 54.000 0.052 0.000 0.891 333 D CB 0.820 41.648 40.800 0.047 0.000 1.187 333 D HN 0.275 nan 8.370 nan 0.000 0.443 334 W N 1.266 122.628 121.300 0.102 0.000 2.781 334 W HA 0.443 5.102 4.660 -0.000 0.000 0.345 334 W C -0.165 176.586 176.519 0.386 0.000 1.085 334 W CA -0.771 56.697 57.345 0.205 0.000 1.198 334 W CB 1.063 30.639 29.460 0.192 0.000 1.423 334 W HN 0.301 nan 8.180 nan 0.000 0.532 335 E N 0.804 121.332 120.200 0.546 0.000 2.393 335 E HA 0.658 5.007 4.350 -0.000 0.000 0.273 335 E C -1.438 175.157 176.600 -0.008 0.000 0.918 335 E CA -1.102 55.481 56.400 0.305 0.000 0.773 335 E CB 1.841 31.608 29.700 0.112 0.000 1.275 335 E HN 0.347 nan 8.360 nan 0.000 0.451 336 L N 1.804 122.766 121.223 -0.435 0.000 2.410 336 L HA 0.330 4.670 4.340 -0.000 0.000 0.273 336 L C -0.049 176.750 176.870 -0.119 0.000 1.152 336 L CA 0.068 54.566 54.840 -0.571 0.000 0.855 336 L CB 0.367 41.983 42.059 -0.739 0.000 1.129 336 L HN 0.520 nan 8.230 nan 0.000 0.463 337 K N 2.248 122.638 120.400 -0.016 0.000 2.439 337 K HA 0.589 4.909 4.320 -0.000 0.000 0.260 337 K C -1.358 175.285 176.600 0.072 0.000 1.032 337 K CA -0.974 55.342 56.287 0.048 0.000 0.882 337 K CB 1.636 34.145 32.500 0.015 0.000 1.420 337 K HN 0.091 nan 8.250 nan 0.000 0.455 338 K N 1.028 121.406 120.400 -0.037 0.000 2.345 338 K HA 0.410 4.730 4.320 -0.000 0.000 0.255 338 K C -0.656 175.887 176.600 -0.096 0.000 0.934 338 K CA -0.815 55.384 56.287 -0.147 0.000 0.801 338 K CB 0.855 33.192 32.500 -0.270 0.000 1.137 338 K HN 0.716 nan 8.250 nan 0.000 0.424 339 N N 2.826 121.473 118.700 -0.088 0.000 2.364 339 N HA 0.263 5.003 4.740 -0.000 0.000 0.264 339 N C -1.929 173.537 175.510 -0.073 0.000 1.263 339 N CA -1.368 51.645 53.050 -0.062 0.000 0.959 339 N CB 0.152 38.614 38.487 -0.042 0.000 1.204 339 N HN 0.202 nan 8.380 nan 0.000 0.550 340 P HA -0.021 nan 4.420 nan 0.000 0.219 340 P C 0.538 177.807 177.300 -0.053 0.000 1.146 340 P CA 1.835 64.904 63.100 -0.052 0.000 0.808 340 P CB -0.030 31.647 31.700 -0.039 0.000 0.779 341 A N -1.255 121.536 122.820 -0.048 0.000 2.307 341 A HA 0.505 4.825 4.320 -0.000 0.000 0.218 341 A C 1.506 179.047 177.584 -0.072 0.000 1.228 341 A CA 0.522 52.533 52.037 -0.044 0.000 0.857 341 A CB -1.057 17.931 19.000 -0.019 0.000 0.897 341 A HN 0.224 nan 8.150 nan 0.000 0.495 342 G N -1.866 106.868 108.800 -0.110 0.000 2.132 342 G HA2 0.121 4.080 3.960 -0.000 0.000 0.234 342 G HA3 0.121 4.080 3.960 -0.000 0.000 0.234 342 G C 0.294 175.055 174.900 -0.232 0.000 0.989 342 G CA 0.262 45.254 45.100 -0.179 0.000 0.676 342 G HN 1.575 nan 8.290 nan 0.000 0.522 343 A N -0.639 122.089 122.820 -0.154 0.000 2.303 343 A HA 0.692 5.012 4.320 -0.000 0.000 0.317 343 A C 0.107 177.639 177.584 -0.087 0.000 1.149 343 A CA -0.639 51.340 52.037 -0.096 0.000 0.822 343 A CB 0.662 19.677 19.000 0.026 0.000 1.131 343 A HN 0.591 nan 8.150 nan 0.000 0.493 344 W N 0.904 122.205 121.300 0.002 0.000 2.190 344 W HA 0.461 5.121 4.660 -0.000 0.000 0.330 344 W C 0.758 177.255 176.519 -0.037 0.000 1.299 344 W CA 0.320 57.634 57.345 -0.053 0.000 1.215 344 W CB 0.688 30.116 29.460 -0.053 0.000 1.147 344 W HN 0.814 nan 8.180 nan 0.000 0.563 345 Q N 1.648 121.568 119.800 0.200 0.000 2.578 345 Q HA 0.396 4.735 4.340 -0.000 0.000 0.284 345 Q C -1.846 174.184 176.000 0.050 0.000 0.960 345 Q CA -1.142 54.751 55.803 0.149 0.000 0.809 345 Q CB 1.330 30.137 28.738 0.116 0.000 1.462 345 Q HN 0.476 nan 8.270 nan 0.000 0.392 346 W N 1.036 122.430 121.300 0.156 0.000 2.433 346 W HA 0.487 5.146 4.660 -0.000 0.000 0.315 346 W C -0.167 176.588 176.519 0.393 0.000 1.087 346 W CA -0.119 57.368 57.345 0.237 0.000 1.205 346 W CB 1.602 31.166 29.460 0.174 0.000 1.288 346 W HN 0.510 nan 8.180 nan 0.000 0.504 347 E N 4.175 124.706 120.200 0.552 0.000 2.277 347 E HA 0.383 4.732 4.350 -0.000 0.000 0.266 347 E C -2.405 174.165 176.600 -0.051 0.000 0.901 347 E CA -2.166 54.425 56.400 0.317 0.000 0.782 347 E CB 2.311 32.056 29.700 0.074 0.000 1.228 347 E HN 0.020 nan 8.360 nan 0.000 0.424 348 P HA 0.218 nan 4.420 nan 0.000 0.278 348 P C -0.472 176.415 177.300 -0.688 0.000 1.238 348 P CA -0.192 62.129 63.100 -1.298 0.000 0.794 348 P CB 0.902 31.561 31.700 -1.735 0.000 0.955 349 I N 2.466 122.706 120.570 -0.549 0.000 2.352 349 I HA 0.101 4.271 4.170 -0.000 0.000 0.290 349 I C 0.561 176.482 176.117 -0.327 0.000 1.036 349 I CA -0.210 60.903 61.300 -0.312 0.000 1.336 349 I CB -0.674 37.228 38.000 -0.163 0.000 1.407 349 I HN 0.490 nan 8.210 nan 0.000 0.497 350 N N 4.626 123.168 118.700 -0.263 0.000 2.696 350 N HA -0.135 4.604 4.740 -0.000 0.000 0.256 350 N C -2.384 172.954 175.510 -0.286 0.000 1.031 350 N CA -0.283 52.642 53.050 -0.208 0.000 0.730 350 N CB -1.037 37.386 38.487 -0.105 0.000 0.894 350 N HN 0.478 nan 8.380 nan 0.000 0.544 351 P HA 0.088 nan 4.420 nan 0.000 0.275 351 P C -0.212 176.979 177.300 -0.181 0.000 1.228 351 P CA 0.106 62.835 63.100 -0.618 0.000 0.786 351 P CB 0.843 32.129 31.700 -0.689 0.000 0.927 352 R N 1.337 121.844 120.500 0.013 0.000 2.531 352 R HA 0.099 4.439 4.340 -0.000 0.000 0.273 352 R C 1.788 178.092 176.300 0.006 0.000 1.070 352 R CA -0.569 55.552 56.100 0.034 0.000 1.112 352 R CB 0.548 30.899 30.300 0.086 0.000 1.049 352 R HN 0.493 nan 8.270 nan 0.000 0.508 353 E N 1.884 122.084 120.200 -0.001 0.000 2.058 353 E HA -0.299 4.050 4.350 -0.000 0.000 0.194 353 E C 1.550 178.160 176.600 0.018 0.000 0.997 353 E CA 1.508 57.907 56.400 -0.002 0.000 0.801 353 E CB -0.062 29.637 29.700 -0.001 0.000 0.746 353 E HN 0.700 nan 8.360 nan 0.000 0.450 354 E N 1.049 121.267 120.200 0.031 0.000 2.209 354 E HA -0.201 4.149 4.350 -0.000 0.000 0.196 354 E C 0.871 177.504 176.600 0.054 0.000 0.993 354 E CA 1.121 57.549 56.400 0.047 0.000 0.819 354 E CB 0.095 29.826 29.700 0.051 0.000 0.745 354 E HN 0.075 nan 8.360 nan 0.000 0.477 355 D N 0.157 120.587 120.400 0.051 0.000 2.349 355 D HA 0.054 4.694 4.640 -0.000 0.000 0.224 355 D C 0.026 176.347 176.300 0.034 0.000 1.029 355 D CA 0.295 54.326 54.000 0.053 0.000 0.879 355 D CB 0.093 40.981 40.800 0.146 0.000 0.906 355 D HN 0.239 nan 8.370 nan 0.000 0.528 356 L N 2.733 123.968 121.223 0.021 0.000 2.290 356 L HA 0.255 4.595 4.340 -0.000 0.000 0.284 356 L C -2.041 174.848 176.870 0.031 0.000 1.078 356 L CA -1.793 53.052 54.840 0.009 0.000 0.815 356 L CB 0.750 42.803 42.059 -0.009 0.000 1.162 356 L HN -0.265 nan 8.230 nan 0.000 0.435 357 P HA 0.056 nan 4.420 nan 0.000 0.271 357 P C -0.308 177.050 177.300 0.096 0.000 1.216 357 P CA -0.224 62.904 63.100 0.046 0.000 0.776 357 P CB 1.031 32.766 31.700 0.058 0.000 0.881 358 V N -0.169 119.819 119.914 0.123 0.000 3.170 358 V HA 0.341 4.461 4.120 -0.000 0.000 0.309 358 V C 0.304 176.599 176.094 0.334 0.000 1.071 358 V CA -0.714 61.692 62.300 0.177 0.000 1.063 358 V CB 0.299 32.203 31.823 0.135 0.000 1.123 358 V HN 0.436 nan 8.190 nan 0.000 0.464 359 D N 0.226 120.742 120.400 0.193 0.000 2.443 359 D HA 0.146 4.786 4.640 -0.000 0.000 0.239 359 D C 1.140 177.480 176.300 0.067 0.000 1.136 359 D CA 0.515 54.576 54.000 0.101 0.000 0.879 359 D CB 1.573 42.388 40.800 0.026 0.000 1.195 359 D HN 0.764 nan 8.370 nan 0.000 0.443 360 V N 0.424 120.197 119.914 -0.235 0.000 2.913 360 V HA -0.075 4.045 4.120 -0.000 0.000 0.260 360 V C 1.100 176.971 176.094 -0.372 0.000 1.098 360 V CA 1.429 63.316 62.300 -0.687 0.000 1.121 360 V CB -0.713 30.611 31.823 -0.832 0.000 0.714 360 V HN 0.614 nan 8.190 nan 0.000 0.487 361 E N -0.092 119.995 120.200 -0.188 0.000 2.332 361 E HA 0.152 4.501 4.350 -0.000 0.000 0.202 361 E C 0.113 176.682 176.600 -0.053 0.000 0.877 361 E CA 0.397 56.720 56.400 -0.128 0.000 0.979 361 E CB 0.423 30.047 29.700 -0.126 0.000 0.969 361 E HN 0.531 nan 8.360 nan 0.000 0.495 362 D N 0.589 120.976 120.400 -0.022 0.000 2.469 362 D HA 0.150 4.790 4.640 -0.000 0.000 0.251 362 D C -2.173 174.153 176.300 0.043 0.000 1.173 362 D CA -2.477 51.526 54.000 0.006 0.000 0.882 362 D CB 1.689 42.485 40.800 -0.007 0.000 1.129 362 D HN -0.230 nan 8.370 nan 0.000 0.549 363 P HA -0.087 nan 4.420 nan 0.000 0.225 363 P C 0.998 178.325 177.300 0.045 0.000 1.148 363 P CA 0.718 63.862 63.100 0.073 0.000 0.779 363 P CB 0.160 31.893 31.700 0.056 0.000 0.780 364 S N -1.931 113.786 115.700 0.028 0.000 2.593 364 S HA 0.110 4.580 4.470 -0.000 0.000 0.217 364 S C 0.662 175.272 174.600 0.017 0.000 0.966 364 S CA -0.120 58.090 58.200 0.017 0.000 0.914 364 S CB -0.793 62.412 63.200 0.009 0.000 0.776 364 S HN 0.028 nan 8.310 nan 0.000 0.523 365 I N 1.635 122.219 120.570 0.024 0.000 2.441 365 I HA 0.459 4.629 4.170 -0.000 0.000 0.295 365 I C 0.193 176.329 176.117 0.031 0.000 0.994 365 I CA -0.913 60.398 61.300 0.018 0.000 1.144 365 I CB 1.809 39.815 38.000 0.009 0.000 1.314 365 I HN -0.039 nan 8.210 nan 0.000 0.445 366 R N 5.119 125.630 120.500 0.019 0.000 2.474 366 R HA 0.605 4.945 4.340 -0.000 0.000 0.295 366 R C -0.364 175.944 176.300 0.014 0.000 0.980 366 R CA -0.872 55.242 56.100 0.023 0.000 0.934 366 R CB 1.728 32.034 30.300 0.010 0.000 1.101 366 R HN 0.495 nan 8.270 nan 0.000 0.469 367 R N 1.088 121.602 120.500 0.024 0.000 3.234 367 R HA 0.377 4.716 4.340 -0.000 0.000 0.223 367 R C -0.101 176.194 176.300 -0.008 0.000 1.644 367 R CA -0.838 55.267 56.100 0.008 0.000 1.009 367 R CB 0.099 30.415 30.300 0.026 0.000 1.959 367 R HN 0.757 nan 8.270 nan 0.000 0.534 368 N N 0.244 118.932 118.700 -0.020 0.000 2.402 368 N HA 0.340 5.080 4.740 -0.000 0.000 0.294 368 N C -0.495 174.998 175.510 -0.029 0.000 1.203 368 N CA -0.507 52.521 53.050 -0.036 0.000 0.838 368 N CB 1.524 39.984 38.487 -0.046 0.000 1.306 368 N HN 0.246 nan 8.380 nan 0.000 0.510 369 L N -0.109 121.103 121.223 -0.019 0.000 2.454 369 L HA 0.626 4.966 4.340 -0.000 0.000 0.256 369 L C 0.089 177.015 176.870 0.093 0.000 1.136 369 L CA -0.846 54.023 54.840 0.048 0.000 0.804 369 L CB 1.274 43.400 42.059 0.112 0.000 1.181 369 L HN 0.546 nan 8.230 nan 0.000 0.469 370 V N -1.411 118.559 119.914 0.094 0.000 3.242 370 V HA 0.625 4.744 4.120 -0.000 0.000 0.298 370 V C -0.953 175.061 176.094 -0.133 0.000 1.352 370 V CA -0.871 61.458 62.300 0.049 0.000 1.052 370 V CB 2.229 33.910 31.823 -0.236 0.000 1.101 370 V HN 0.611 nan 8.190 nan 0.000 0.446 371 M N 2.304 121.861 119.600 -0.072 0.000 2.371 371 M HA 0.549 5.028 4.480 -0.000 0.000 0.287 371 M C -0.203 176.197 176.300 0.167 0.000 1.149 371 M CA -0.045 55.190 55.300 -0.107 0.000 0.929 371 M CB 2.374 34.555 32.600 -0.698 0.000 1.683 371 M HN 1.226 nan 8.290 nan 0.000 0.470 372 T N -2.339 112.390 114.554 0.293 0.000 2.810 372 T HA 0.305 4.654 4.350 -0.000 0.000 0.277 372 T C 0.718 175.586 174.700 0.280 0.000 0.973 372 T CA -0.172 62.133 62.100 0.342 0.000 0.949 372 T CB 1.065 70.159 68.868 0.376 0.000 1.075 372 T HN 0.613 nan 8.240 nan 0.000 0.537 373 D N -0.032 120.566 120.400 0.331 0.000 2.219 373 D HA 0.049 4.689 4.640 -0.000 0.000 0.205 373 D C 2.132 178.488 176.300 0.093 0.000 0.970 373 D CA 1.306 55.452 54.000 0.244 0.000 0.851 373 D CB -0.436 40.538 40.800 0.291 0.000 0.943 373 D HN 0.686 nan 8.370 nan 0.000 0.488 374 A N -0.045 122.859 122.820 0.141 0.000 2.016 374 A HA -0.086 4.233 4.320 -0.000 0.000 0.217 374 A C 1.815 179.408 177.584 0.014 0.000 1.162 374 A CA 1.060 53.150 52.037 0.088 0.000 0.662 374 A CB -0.111 18.976 19.000 0.145 0.000 0.812 374 A HN 0.146 nan 8.150 nan 0.000 0.450 375 D N -0.322 120.110 120.400 0.053 0.000 2.123 375 D HA -0.095 4.545 4.640 -0.000 0.000 0.200 375 D C 1.777 177.956 176.300 -0.201 0.000 0.976 375 D CA 1.066 55.065 54.000 -0.002 0.000 0.831 375 D CB -0.202 40.654 40.800 0.092 0.000 0.974 375 D HN 0.241 nan 8.370 nan 0.000 0.469 376 M N 1.048 120.446 119.600 -0.335 0.000 2.279 376 M HA -0.053 4.427 4.480 -0.000 0.000 0.264 376 M C 2.312 178.439 176.300 -0.287 0.000 1.062 376 M CA 0.505 55.498 55.300 -0.512 0.000 1.099 376 M CB -1.188 30.841 32.600 -0.952 0.000 1.394 376 M HN -0.076 nan 8.290 nan 0.000 0.426 377 A N -0.071 122.661 122.820 -0.146 0.000 1.972 377 A HA -0.121 4.198 4.320 -0.000 0.000 0.219 377 A C 2.122 179.755 177.584 0.082 0.000 1.169 377 A CA 1.194 53.227 52.037 -0.008 0.000 0.635 377 A CB -0.434 18.610 19.000 0.074 0.000 0.810 377 A HN 0.380 nan 8.150 nan 0.000 0.446 378 M N -0.667 118.927 119.600 -0.009 0.000 2.374 378 M HA -0.058 4.422 4.480 -0.000 0.000 0.264 378 M C 1.927 178.272 176.300 0.076 0.000 1.067 378 M CA 1.766 57.084 55.300 0.030 0.000 1.103 378 M CB -0.897 31.705 32.600 0.004 0.000 1.402 378 M HN 0.603 nan 8.290 nan 0.000 0.444 379 K N -0.230 120.153 120.400 -0.027 0.000 2.244 379 K HA 0.046 4.366 4.320 -0.000 0.000 0.200 379 K C 1.875 178.446 176.600 -0.047 0.000 1.052 379 K CA 0.482 56.738 56.287 -0.051 0.000 0.980 379 K CB 0.336 32.747 32.500 -0.149 0.000 0.838 379 K HN -0.000 nan 8.250 nan 0.000 0.481 380 M N 1.128 120.687 119.600 -0.068 0.000 2.287 380 M HA 0.041 4.521 4.480 -0.000 0.000 0.266 380 M C 0.114 176.399 176.300 -0.026 0.000 1.079 380 M CA 0.719 55.984 55.300 -0.058 0.000 1.146 380 M CB -1.035 31.508 32.600 -0.096 0.000 1.374 380 M HN 0.113 nan 8.290 nan 0.000 0.435 381 D N 1.728 122.133 120.400 0.008 0.000 2.450 381 D HA 0.023 4.662 4.640 -0.000 0.000 0.247 381 D C -1.747 174.522 176.300 -0.053 0.000 1.162 381 D CA -1.199 52.778 54.000 -0.039 0.000 0.879 381 D CB 1.514 42.260 40.800 -0.090 0.000 1.163 381 D HN -0.071 nan 8.370 nan 0.000 0.472 382 P HA -0.209 nan 4.420 nan 0.000 0.216 382 P C 0.822 178.080 177.300 -0.070 0.000 1.157 382 P CA 1.141 64.204 63.100 -0.062 0.000 0.880 382 P CB 0.186 31.849 31.700 -0.062 0.000 0.791 383 E N -1.725 118.400 120.200 -0.124 0.000 2.072 383 E HA -0.135 4.215 4.350 -0.000 0.000 0.190 383 E C 2.139 178.721 176.600 -0.030 0.000 0.982 383 E CA 1.188 57.517 56.400 -0.117 0.000 0.803 383 E CB -0.961 28.625 29.700 -0.190 0.000 0.755 383 E HN 0.363 nan 8.360 nan 0.000 0.453 384 Y N 1.074 121.340 120.300 -0.056 0.000 2.200 384 Y HA -0.122 4.428 4.550 -0.001 0.000 0.290 384 Y C 2.494 178.351 175.900 -0.072 0.000 1.137 384 Y CA 0.788 58.852 58.100 -0.061 0.000 1.163 384 Y CB -0.634 37.798 38.460 -0.046 0.000 0.988 384 Y HN -0.037 nan 8.280 nan 0.000 0.518 385 R N 1.145 121.703 120.500 0.097 0.000 2.117 385 R HA -0.163 4.177 4.340 -0.000 0.000 0.243 385 R C 1.912 178.184 176.300 -0.046 0.000 1.143 385 R CA 1.634 57.745 56.100 0.018 0.000 0.968 385 R CB -0.372 29.924 30.300 -0.007 0.000 0.863 385 R HN 0.308 nan 8.270 nan 0.000 0.444 386 K N -0.646 119.720 120.400 -0.057 0.000 2.097 386 K HA -0.046 4.273 4.320 -0.000 0.000 0.205 386 K C 2.069 178.562 176.600 -0.178 0.000 1.050 386 K CA 1.573 57.802 56.287 -0.097 0.000 0.938 386 K CB -0.138 32.315 32.500 -0.078 0.000 0.718 386 K HN 0.199 nan 8.250 nan 0.000 0.442 387 I N 0.584 121.032 120.570 -0.203 0.000 2.286 387 I HA -0.220 3.950 4.170 -0.000 0.000 0.245 387 I C 2.153 177.862 176.117 -0.680 0.000 1.104 387 I CA 0.871 61.906 61.300 -0.441 0.000 1.397 387 I CB -0.148 37.660 38.000 -0.322 0.000 1.072 387 I HN 0.015 nan 8.210 nan 0.000 0.417 388 S N 0.351 115.818 115.700 -0.388 0.000 2.370 388 S HA -0.249 4.221 4.470 -0.000 0.000 0.226 388 S C 1.940 176.176 174.600 -0.606 0.000 1.033 388 S CA 1.687 59.578 58.200 -0.515 0.000 1.011 388 S CB -0.256 62.937 63.200 -0.013 0.000 0.852 388 S HN 0.407 nan 8.310 nan 0.000 0.457 389 E N 1.607 121.621 120.200 -0.309 0.000 2.077 389 E HA -0.142 4.207 4.350 -0.000 0.000 0.193 389 E C 2.062 178.572 176.600 -0.151 0.000 0.989 389 E CA 1.188 57.495 56.400 -0.155 0.000 0.800 389 E CB -0.202 29.441 29.700 -0.095 0.000 0.746 389 E HN 0.262 nan 8.360 nan 0.000 0.452 390 R N -0.274 120.070 120.500 -0.261 0.000 2.081 390 R HA -0.039 4.300 4.340 -0.000 0.000 0.235 390 R C 2.154 178.422 176.300 -0.054 0.000 1.131 390 R CA 1.788 57.772 56.100 -0.194 0.000 0.960 390 R CB -0.903 29.237 30.300 -0.267 0.000 0.856 390 R HN 0.343 nan 8.270 nan 0.000 0.436 391 F N -1.191 118.635 119.950 -0.207 0.000 2.325 391 F HA -0.120 4.407 4.527 -0.001 0.000 0.299 391 F C 1.803 177.417 175.800 -0.310 0.000 1.090 391 F CA 0.393 58.222 58.000 -0.284 0.000 1.392 391 F CB -0.239 38.324 39.000 -0.729 0.000 1.053 391 F HN 0.106 nan 8.300 nan 0.000 0.521 392 Y N 2.010 122.120 120.300 -0.317 0.000 2.220 392 Y HA -0.212 4.337 4.550 -0.000 0.000 0.291 392 Y C 2.553 178.423 175.900 -0.051 0.000 1.129 392 Y CA 1.683 59.675 58.100 -0.180 0.000 1.161 392 Y CB -0.641 37.714 38.460 -0.175 0.000 0.997 392 Y HN 0.158 nan 8.280 nan 0.000 0.522 393 Q N -0.670 119.024 119.800 -0.176 0.000 2.392 393 Q HA 0.008 4.348 4.340 -0.000 0.000 0.203 393 Q C -0.534 175.412 176.000 -0.089 0.000 0.917 393 Q CA 1.035 56.701 55.803 -0.228 0.000 0.939 393 Q CB 0.240 28.898 28.738 -0.133 0.000 1.063 393 Q HN 0.338 nan 8.270 nan 0.000 0.516 394 D N 0.694 121.106 120.400 0.020 0.000 2.552 394 D HA 0.267 4.907 4.640 -0.000 0.000 0.285 394 D C -2.272 174.177 176.300 0.248 0.000 1.206 394 D CA -2.130 51.938 54.000 0.114 0.000 0.826 394 D CB 1.536 42.405 40.800 0.115 0.000 1.179 394 D HN -0.083 nan 8.370 nan 0.000 0.508 395 P HA -0.030 nan 4.420 nan 0.000 0.220 395 P C 1.182 178.672 177.300 0.317 0.000 1.148 395 P CA 0.813 64.104 63.100 0.319 0.000 0.803 395 P CB 0.367 32.212 31.700 0.241 0.000 0.782 396 A N -1.416 121.546 122.820 0.236 0.000 1.930 396 A HA -0.224 4.096 4.320 -0.000 0.000 0.217 396 A C 2.218 179.938 177.584 0.227 0.000 1.175 396 A CA 1.266 53.418 52.037 0.191 0.000 0.627 396 A CB -1.767 17.322 19.000 0.149 0.000 0.815 396 A HN 0.132 nan 8.150 nan 0.000 0.443 397 Y N -0.696 119.703 120.300 0.163 0.000 2.163 397 Y HA -0.165 4.385 4.550 -0.000 0.000 0.288 397 Y C 1.997 178.016 175.900 0.199 0.000 1.136 397 Y CA 1.551 59.764 58.100 0.188 0.000 1.147 397 Y CB -0.728 37.878 38.460 0.244 0.000 0.987 397 Y HN 0.358 nan 8.280 nan 0.000 0.509 398 F N 0.867 120.854 119.950 0.062 0.000 2.063 398 F HA -0.284 4.242 4.527 -0.001 0.000 0.298 398 F C 2.318 177.984 175.800 -0.223 0.000 1.109 398 F CA 2.003 59.765 58.000 -0.396 0.000 1.212 398 F CB -1.255 37.632 39.000 -0.188 0.000 0.973 398 F HN 0.062 nan 8.300 nan 0.000 0.480 399 A N -0.554 122.148 122.820 -0.196 0.000 1.972 399 A HA -0.230 4.089 4.320 -0.000 0.000 0.219 399 A C 1.924 179.335 177.584 -0.289 0.000 1.169 399 A CA 2.036 53.887 52.037 -0.310 0.000 0.635 399 A CB -1.231 17.695 19.000 -0.125 0.000 0.810 399 A HN 0.572 nan 8.150 nan 0.000 0.446 400 D N -0.950 119.331 120.400 -0.199 0.000 2.137 400 D HA -0.076 4.564 4.640 -0.000 0.000 0.202 400 D C 1.750 177.877 176.300 -0.288 0.000 0.970 400 D CA 1.310 55.193 54.000 -0.196 0.000 0.837 400 D CB 0.019 40.759 40.800 -0.101 0.000 0.981 400 D HN 0.120 nan 8.370 nan 0.000 0.475 401 V N 0.314 120.014 119.914 -0.357 0.000 2.358 401 V HA -0.142 3.978 4.120 -0.000 0.000 0.246 401 V C 2.127 178.062 176.094 -0.265 0.000 1.047 401 V CA 1.619 63.717 62.300 -0.336 0.000 1.035 401 V CB -0.736 30.853 31.823 -0.389 0.000 0.658 401 V HN 0.284 nan 8.190 nan 0.000 0.452 402 F N 1.455 121.148 119.950 -0.429 0.000 2.113 402 F HA -0.110 4.416 4.527 -0.001 0.000 0.297 402 F C 2.350 177.967 175.800 -0.305 0.000 1.103 402 F CA 1.587 59.353 58.000 -0.390 0.000 1.248 402 F CB -0.420 38.221 39.000 -0.599 0.000 0.999 402 F HN 0.072 nan 8.300 nan 0.000 0.475 403 A N 0.827 123.313 122.820 -0.556 0.000 1.917 403 A HA -0.242 4.078 4.320 -0.000 0.000 0.219 403 A C 2.257 179.651 177.584 -0.316 0.000 1.182 403 A CA 2.054 53.812 52.037 -0.467 0.000 0.633 403 A CB -0.831 18.005 19.000 -0.274 0.000 0.819 403 A HN 0.503 nan 8.150 nan 0.000 0.448 404 R N -0.759 119.490 120.500 -0.420 0.000 2.075 404 R HA -0.030 4.310 4.340 -0.000 0.000 0.232 404 R C 2.460 178.650 176.300 -0.183 0.000 1.126 404 R CA 1.211 57.021 56.100 -0.483 0.000 0.963 404 R CB -0.428 29.540 30.300 -0.553 0.000 0.858 404 R HN 0.516 nan 8.270 nan 0.000 0.435 405 A N 0.636 123.316 122.820 -0.234 0.000 1.969 405 A HA -0.177 4.143 4.320 -0.000 0.000 0.218 405 A C 1.860 179.329 177.584 -0.192 0.000 1.169 405 A CA 0.794 52.716 52.037 -0.191 0.000 0.635 405 A CB -0.833 18.076 19.000 -0.153 0.000 0.810 405 A HN 0.628 nan 8.150 nan 0.000 0.445 406 W N -0.510 120.473 121.300 -0.529 0.000 2.388 406 W HA -0.208 4.451 4.660 -0.001 0.000 0.294 406 W C 1.776 178.241 176.519 -0.089 0.000 1.212 406 W CA 1.575 58.661 57.345 -0.431 0.000 1.271 406 W CB -0.311 28.701 29.460 -0.746 0.000 1.126 406 W HN 0.411 nan 8.180 nan 0.000 0.535 407 F N 2.092 121.980 119.950 -0.104 0.000 2.146 407 F HA -0.125 4.401 4.527 -0.001 0.000 0.298 407 F C 2.584 178.339 175.800 -0.075 0.000 1.096 407 F CA 2.450 60.453 58.000 0.004 0.000 1.275 407 F CB -0.753 38.370 39.000 0.204 0.000 1.008 407 F HN -0.259 nan 8.300 nan 0.000 0.480 408 K N 0.094 120.340 120.400 -0.256 0.000 2.057 408 K HA -0.202 4.118 4.320 -0.000 0.000 0.207 408 K C 2.122 178.238 176.600 -0.806 0.000 1.049 408 K CA 1.561 57.272 56.287 -0.960 0.000 0.931 408 K CB -0.496 31.433 32.500 -0.951 0.000 0.714 408 K HN 0.310 nan 8.250 nan 0.000 0.440 409 L N 1.405 122.321 121.223 -0.511 0.000 1.990 409 L HA -0.188 4.151 4.340 -0.000 0.000 0.213 409 L C 2.286 178.880 176.870 -0.461 0.000 1.072 409 L CA 2.509 57.108 54.840 -0.402 0.000 0.755 409 L CB -1.025 40.858 42.059 -0.293 0.000 0.889 409 L HN 0.463 nan 8.230 nan 0.000 0.432 410 T N -4.882 109.361 114.554 -0.519 0.000 3.160 410 T HA -0.031 4.319 4.350 -0.000 0.000 0.257 410 T C 1.145 175.418 174.700 -0.711 0.000 1.147 410 T CA 0.808 62.595 62.100 -0.521 0.000 1.064 410 T CB -0.466 68.123 68.868 -0.465 0.000 0.949 410 T HN 0.551 nan 8.240 nan 0.000 0.526 411 H N 0.141 118.815 119.070 -0.661 0.000 3.540 411 H HA 0.218 4.774 4.556 -0.000 0.000 0.259 411 H C 1.740 176.819 175.328 -0.415 0.000 1.197 411 H CA -0.192 55.513 56.048 -0.571 0.000 1.136 411 H CB 0.540 29.911 29.762 -0.651 0.000 1.605 411 H HN 0.430 nan 8.280 nan 0.000 0.657 412 R N 1.551 121.725 120.500 -0.543 0.000 2.377 412 R HA -0.064 4.275 4.340 -0.000 0.000 0.207 412 R C 0.089 176.074 176.300 -0.524 0.000 1.075 412 R CA 1.530 57.283 56.100 -0.579 0.000 1.035 412 R CB -0.213 29.589 30.300 -0.830 0.000 0.857 412 R HN 0.165 nan 8.270 nan 0.000 0.475 413 D N -0.769 119.363 120.400 -0.447 0.000 2.563 413 D HA 0.048 4.688 4.640 -0.000 0.000 0.237 413 D C 1.232 177.413 176.300 -0.199 0.000 1.282 413 D CA -0.275 53.541 54.000 -0.306 0.000 0.816 413 D CB 0.218 40.842 40.800 -0.294 0.000 1.066 413 D HN 0.034 nan 8.370 nan 0.000 0.501 414 M N 0.706 120.204 119.600 -0.171 0.000 2.447 414 M HA 0.223 4.703 4.480 -0.000 0.000 0.264 414 M C 1.313 177.579 176.300 -0.057 0.000 1.095 414 M CA 1.073 56.276 55.300 -0.161 0.000 1.125 414 M CB -0.602 31.851 32.600 -0.244 0.000 1.389 414 M HN 0.340 nan 8.290 nan 0.000 0.459 415 G N 0.799 109.613 108.800 0.024 0.000 2.542 415 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.235 415 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.235 415 G C -2.724 172.231 174.900 0.092 0.000 1.286 415 G CA -1.064 44.047 45.100 0.018 0.000 0.904 415 G HN 0.190 nan 8.290 nan 0.000 0.577 416 P HA 0.215 nan 4.420 nan 0.000 0.265 416 P C 0.769 178.045 177.300 -0.039 0.000 1.187 416 P CA 0.326 63.445 63.100 0.032 0.000 0.766 416 P CB 0.516 32.298 31.700 0.136 0.000 0.820 417 K N 2.829 123.082 120.400 -0.245 0.000 2.281 417 K HA -0.204 4.115 4.320 -0.000 0.000 0.203 417 K C 1.774 178.292 176.600 -0.135 0.000 1.046 417 K CA 1.442 57.416 56.287 -0.522 0.000 0.938 417 K CB -0.500 31.699 32.500 -0.502 0.000 0.737 417 K HN 0.495 nan 8.250 nan 0.000 0.458 418 A N 1.182 123.991 122.820 -0.019 0.000 2.024 418 A HA -0.186 4.134 4.320 -0.000 0.000 0.220 418 A C 1.840 179.488 177.584 0.106 0.000 1.164 418 A CA 1.351 53.423 52.037 0.059 0.000 0.643 418 A CB -0.348 18.721 19.000 0.114 0.000 0.806 418 A HN 0.316 nan 8.150 nan 0.000 0.451 419 R N -2.018 118.550 120.500 0.113 0.000 2.193 419 R HA 0.021 4.361 4.340 -0.000 0.000 0.213 419 R C -0.356 176.042 176.300 0.163 0.000 1.055 419 R CA 0.068 56.212 56.100 0.073 0.000 0.995 419 R CB -0.176 30.045 30.300 -0.132 0.000 0.893 419 R HN 0.512 nan 8.270 nan 0.000 0.459 420 Y N 1.238 121.509 120.300 -0.048 0.000 2.544 420 Y HA 0.165 4.715 4.550 -0.000 0.000 0.330 420 Y C 0.654 176.543 175.900 -0.018 0.000 1.136 420 Y CA -0.167 57.912 58.100 -0.035 0.000 1.417 420 Y CB 0.237 38.687 38.460 -0.017 0.000 1.229 420 Y HN -0.103 nan 8.280 nan 0.000 0.532 421 I N 1.741 122.378 120.570 0.111 0.000 2.828 421 I HA 0.778 4.947 4.170 -0.000 0.000 0.302 421 I C 0.205 176.415 176.117 0.154 0.000 1.101 421 I CA -0.877 60.480 61.300 0.095 0.000 1.031 421 I CB 2.545 40.565 38.000 0.033 0.000 1.231 421 I HN 0.685 nan 8.210 nan 0.000 0.427 422 G N 4.528 113.403 108.800 0.125 0.000 2.362 422 G HA2 0.002 3.961 3.960 -0.000 0.000 0.656 422 G HA3 0.002 3.961 3.960 -0.000 0.000 0.656 422 G C -2.628 172.349 174.900 0.127 0.000 1.376 422 G CA -0.678 44.534 45.100 0.187 0.000 0.971 422 G HN 0.437 nan 8.290 nan 0.000 0.636 423 P HA 0.093 nan 4.420 nan 0.000 0.223 423 P C 0.288 177.635 177.300 0.078 0.000 1.151 423 P CA 1.158 64.308 63.100 0.083 0.000 0.787 423 P CB 0.265 32.013 31.700 0.080 0.000 0.788 424 D N -0.094 120.381 120.400 0.125 0.000 2.427 424 D HA 0.104 4.744 4.640 -0.000 0.000 0.224 424 D C 0.131 176.447 176.300 0.028 0.000 1.157 424 D CA -0.168 53.882 54.000 0.083 0.000 0.828 424 D CB 0.596 41.497 40.800 0.169 0.000 0.974 424 D HN 0.016 nan 8.370 nan 0.000 0.498 425 V N 2.792 122.729 119.914 0.037 0.000 2.521 425 V HA 0.102 4.222 4.120 -0.000 0.000 0.286 425 V C -1.858 174.165 176.094 -0.118 0.000 1.034 425 V CA -1.137 61.186 62.300 0.038 0.000 1.045 425 V CB 0.531 32.416 31.823 0.104 0.000 0.974 425 V HN -0.031 nan 8.190 nan 0.000 0.480 426 P HA 0.115 nan 4.420 nan 0.000 0.271 426 P C 0.686 177.825 177.300 -0.269 0.000 1.216 426 P CA -0.267 62.569 63.100 -0.441 0.000 0.771 426 P CB 0.443 31.663 31.700 -0.801 0.000 0.864 427 Q N 1.650 121.310 119.800 -0.233 0.000 2.224 427 Q HA -0.138 4.202 4.340 -0.000 0.000 0.203 427 Q C 0.494 176.404 176.000 -0.151 0.000 0.970 427 Q CA 0.772 56.479 55.803 -0.159 0.000 0.865 427 Q CB -0.206 28.456 28.738 -0.127 0.000 0.922 427 Q HN 0.533 nan 8.270 nan 0.000 0.445 428 E N 1.826 121.930 120.200 -0.161 0.000 2.414 428 E HA -0.057 4.292 4.350 -0.000 0.000 0.263 428 E C -0.922 175.596 176.600 -0.137 0.000 1.000 428 E CA -0.229 56.107 56.400 -0.106 0.000 0.914 428 E CB 0.532 30.220 29.700 -0.021 0.000 0.948 428 E HN 0.115 nan 8.360 nan 0.000 0.444 429 D N 5.173 125.492 120.400 -0.136 0.000 2.380 429 D HA 0.135 4.775 4.640 -0.000 0.000 0.230 429 D C -0.336 175.831 176.300 -0.222 0.000 1.154 429 D CA -0.314 53.573 54.000 -0.188 0.000 0.859 429 D CB 0.592 41.304 40.800 -0.146 0.000 1.045 429 D HN 0.278 nan 8.370 nan 0.000 0.495 430 L N 3.369 124.369 121.223 -0.373 0.000 2.371 430 L HA 0.128 4.467 4.340 -0.000 0.000 0.272 430 L C 1.920 178.480 176.870 -0.516 0.000 1.124 430 L CA -0.264 54.257 54.840 -0.532 0.000 0.816 430 L CB 1.055 42.469 42.059 -1.075 0.000 1.129 430 L HN 0.347 nan 8.230 nan 0.000 0.448 431 I N 3.376 123.769 120.570 -0.296 0.000 2.264 431 I HA -0.272 3.898 4.170 -0.000 0.000 0.248 431 I C 1.961 178.058 176.117 -0.035 0.000 1.111 431 I CA 1.417 62.657 61.300 -0.101 0.000 1.382 431 I CB -0.286 37.732 38.000 0.030 0.000 1.060 431 I HN 0.763 nan 8.210 nan 0.000 0.418 432 W N 0.699 122.030 121.300 0.051 0.000 2.961 432 W HA -0.033 4.627 4.660 -0.000 0.000 0.240 432 W C 1.361 177.891 176.519 0.018 0.000 1.305 432 W CA -0.129 57.233 57.345 0.029 0.000 1.465 432 W CB -1.340 28.127 29.460 0.012 0.000 1.135 432 W HN 0.303 nan 8.180 nan 0.000 0.688 433 Q N 0.684 120.398 119.800 -0.143 0.000 2.408 433 Q HA -0.047 4.293 4.340 -0.000 0.000 0.205 433 Q C -0.217 175.786 176.000 0.006 0.000 0.919 433 Q CA 0.432 56.178 55.803 -0.094 0.000 0.932 433 Q CB -0.027 28.492 28.738 -0.365 0.000 1.058 433 Q HN 0.078 nan 8.270 nan 0.000 0.517 434 D N 0.323 120.755 120.400 0.054 0.000 2.775 434 D HA -0.114 4.526 4.640 -0.000 0.000 0.235 434 D C -2.447 173.901 176.300 0.080 0.000 1.120 434 D CA 0.524 54.619 54.000 0.158 0.000 0.708 434 D CB -1.261 39.685 40.800 0.242 0.000 1.084 434 D HN 0.323 nan 8.370 nan 0.000 0.434 435 P HA -0.007 nan 4.420 nan 0.000 0.261 435 P C 0.081 177.377 177.300 -0.007 0.000 1.158 435 P CA 0.595 63.673 63.100 -0.036 0.000 0.758 435 P CB 0.561 32.217 31.700 -0.073 0.000 0.763 436 I N 4.660 125.223 120.570 -0.011 0.000 2.571 436 I HA 0.272 4.442 4.170 -0.000 0.000 0.289 436 I C -1.906 174.203 176.117 -0.013 0.000 1.115 436 I CA -2.415 58.884 61.300 -0.003 0.000 1.045 436 I CB 2.337 40.349 38.000 0.020 0.000 1.238 436 I HN 0.269 nan 8.210 nan 0.000 0.424 437 P HA 0.282 nan 4.420 nan 0.000 0.274 437 P C -0.585 176.710 177.300 -0.008 0.000 1.246 437 P CA -0.437 62.653 63.100 -0.017 0.000 0.795 437 P CB 0.878 32.568 31.700 -0.017 0.000 1.006 438 A N 1.279 124.094 122.820 -0.008 0.000 2.409 438 A HA 0.540 4.860 4.320 -0.000 0.000 0.262 438 A C 0.796 178.387 177.584 0.011 0.000 1.113 438 A CA 0.086 52.123 52.037 -0.001 0.000 0.790 438 A CB -0.412 18.584 19.000 -0.005 0.000 1.046 438 A HN 0.667 nan 8.150 nan 0.000 0.496 439 G N 1.335 110.150 108.800 0.025 0.000 2.451 439 G HA2 0.361 4.321 3.960 -0.000 0.000 0.303 439 G HA3 0.361 4.321 3.960 -0.000 0.000 0.303 439 G C 0.135 175.081 174.900 0.077 0.000 1.166 439 G CA -0.741 44.389 45.100 0.050 0.000 0.884 439 G HN 0.946 nan 8.290 nan 0.000 0.514 440 N N 0.047 118.812 118.700 0.109 0.000 2.458 440 N HA 0.029 4.769 4.740 -0.000 0.000 0.258 440 N C 0.812 176.433 175.510 0.185 0.000 1.219 440 N CA -0.106 53.025 53.050 0.135 0.000 0.902 440 N CB 0.612 39.195 38.487 0.159 0.000 1.076 440 N HN 0.463 nan 8.380 nan 0.000 0.455 441 R N 1.291 121.821 120.500 0.050 0.000 2.365 441 R HA 0.153 4.493 4.340 -0.000 0.000 0.223 441 R C -0.412 175.739 176.300 -0.248 0.000 0.899 441 R CA 0.004 56.045 56.100 -0.097 0.000 1.059 441 R CB 0.280 30.532 30.300 -0.081 0.000 1.086 441 R HN 0.576 nan 8.270 nan 0.000 0.522 442 N N 1.130 119.768 118.700 -0.102 0.000 2.678 442 N HA 0.070 4.809 4.740 -0.000 0.000 0.231 442 N C -0.703 174.818 175.510 0.018 0.000 1.038 442 N CA -0.061 52.933 53.050 -0.092 0.000 0.932 442 N CB 1.021 39.498 38.487 -0.018 0.000 1.176 442 N HN 0.288 nan 8.380 nan 0.000 0.511 443 Y N -0.972 119.344 120.300 0.028 0.000 2.861 443 Y HA 0.257 4.807 4.550 -0.000 0.000 0.284 443 Y C -0.578 175.330 175.900 0.012 0.000 1.006 443 Y CA -1.353 56.759 58.100 0.019 0.000 1.245 443 Y CB -0.559 37.914 38.460 0.023 0.000 1.415 443 Y HN 0.321 nan 8.280 nan 0.000 0.586 444 D N 0.655 121.131 120.400 0.126 0.000 4.353 444 D HA -0.169 4.470 4.640 -0.000 0.000 0.242 444 D C 0.542 176.976 176.300 0.224 0.000 1.063 444 D CA 0.760 54.831 54.000 0.119 0.000 1.224 444 D CB -0.250 40.605 40.800 0.091 0.000 0.831 444 D HN 0.170 nan 8.370 nan 0.000 0.405 445 V N 2.762 122.764 119.914 0.147 0.000 2.287 445 V HA -0.310 3.810 4.120 -0.000 0.000 0.248 445 V C 2.414 178.533 176.094 0.041 0.000 1.053 445 V CA 2.453 64.836 62.300 0.138 0.000 1.027 445 V CB -0.605 31.238 31.823 0.033 0.000 0.646 445 V HN 0.675 nan 8.190 nan 0.000 0.447 446 Q N 0.357 120.171 119.800 0.023 0.000 2.135 446 Q HA -0.162 4.178 4.340 -0.000 0.000 0.204 446 Q C 2.104 178.106 176.000 0.003 0.000 0.981 446 Q CA 2.138 57.942 55.803 0.002 0.000 0.856 446 Q CB -0.610 28.131 28.738 0.005 0.000 0.902 446 Q HN 0.631 nan 8.270 nan 0.000 0.425 447 A N -0.856 121.977 122.820 0.023 0.000 1.898 447 A HA -0.110 4.210 4.320 -0.000 0.000 0.216 447 A C 2.242 179.821 177.584 -0.008 0.000 1.181 447 A CA 1.520 53.564 52.037 0.012 0.000 0.620 447 A CB -0.745 18.270 19.000 0.025 0.000 0.819 447 A HN 0.260 nan 8.150 nan 0.000 0.442 448 V N 0.530 120.439 119.914 -0.008 0.000 2.343 448 V HA -0.298 3.822 4.120 -0.000 0.000 0.247 448 V C 2.452 178.509 176.094 -0.062 0.000 1.051 448 V CA 2.347 64.612 62.300 -0.057 0.000 1.036 448 V CB -0.732 31.033 31.823 -0.097 0.000 0.654 448 V HN 0.539 nan 8.190 nan 0.000 0.451 449 K N -0.073 120.291 120.400 -0.059 0.000 2.026 449 K HA -0.190 4.130 4.320 -0.000 0.000 0.208 449 K C 1.939 178.515 176.600 -0.039 0.000 1.048 449 K CA 1.733 57.984 56.287 -0.060 0.000 0.929 449 K CB -0.477 31.986 32.500 -0.060 0.000 0.713 449 K HN 0.464 nan 8.250 nan 0.000 0.439 450 D N 0.846 121.228 120.400 -0.029 0.000 2.123 450 D HA -0.149 4.491 4.640 -0.000 0.000 0.196 450 D C 2.016 178.302 176.300 -0.023 0.000 0.992 450 D CA 1.247 55.233 54.000 -0.022 0.000 0.833 450 D CB -0.206 40.585 40.800 -0.015 0.000 0.954 450 D HN 0.165 nan 8.370 nan 0.000 0.455 451 R N 0.119 120.602 120.500 -0.027 0.000 2.120 451 R HA 0.006 4.346 4.340 -0.000 0.000 0.234 451 R C 2.537 178.820 176.300 -0.029 0.000 1.123 451 R CA 0.586 56.669 56.100 -0.027 0.000 0.975 451 R CB -0.186 30.095 30.300 -0.033 0.000 0.866 451 R HN 0.252 nan 8.270 nan 0.000 0.446 452 I N 0.288 120.838 120.570 -0.033 0.000 2.202 452 I HA -0.237 3.933 4.170 -0.000 0.000 0.242 452 I C 2.561 178.664 176.117 -0.023 0.000 1.091 452 I CA 1.218 62.501 61.300 -0.029 0.000 1.368 452 I CB -0.459 37.521 38.000 -0.034 0.000 1.058 452 I HN 0.191 nan 8.210 nan 0.000 0.410 453 A N 0.886 123.691 122.820 -0.024 0.000 1.908 453 A HA -0.202 4.118 4.320 -0.000 0.000 0.218 453 A C 2.473 180.046 177.584 -0.018 0.000 1.181 453 A CA 1.993 54.018 52.037 -0.021 0.000 0.627 453 A CB -0.883 18.105 19.000 -0.022 0.000 0.818 453 A HN 0.451 nan 8.150 nan 0.000 0.445 454 A N 0.118 122.927 122.820 -0.018 0.000 2.121 454 A HA 0.187 4.507 4.320 -0.000 0.000 0.218 454 A C 1.718 179.293 177.584 -0.015 0.000 1.154 454 A CA 1.175 53.202 52.037 -0.015 0.000 0.679 454 A CB -0.882 18.109 19.000 -0.015 0.000 0.795 454 A HN 0.861 nan 8.150 nan 0.000 0.458 455 S N -1.327 114.363 115.700 -0.016 0.000 2.634 455 S HA 0.435 4.905 4.470 -0.000 0.000 0.261 455 S C 0.987 175.580 174.600 -0.012 0.000 1.271 455 S CA -0.006 58.186 58.200 -0.014 0.000 0.985 455 S CB 1.071 64.262 63.200 -0.015 0.000 0.968 455 S HN 0.590 nan 8.310 nan 0.000 0.568 456 G N -0.178 108.616 108.800 -0.011 0.000 3.448 456 G HA2 0.327 4.287 3.960 -0.000 0.000 0.261 456 G HA3 0.327 4.287 3.960 -0.000 0.000 0.261 456 G C 0.054 174.949 174.900 -0.009 0.000 1.173 456 G CA -0.518 44.576 45.100 -0.010 0.000 0.835 456 G HN 0.586 nan 8.290 nan 0.000 0.534 457 L N 2.451 123.669 121.223 -0.009 0.000 2.367 457 L HA 0.233 4.573 4.340 -0.000 0.000 0.275 457 L C 1.037 177.902 176.870 -0.008 0.000 1.129 457 L CA -0.494 54.342 54.840 -0.006 0.000 0.839 457 L CB 1.075 43.133 42.059 -0.002 0.000 1.133 457 L HN 0.250 nan 8.230 nan 0.000 0.453 458 S N 2.692 118.387 115.700 -0.008 0.000 2.585 458 S HA 0.208 4.678 4.470 -0.000 0.000 0.273 458 S C 1.282 175.872 174.600 -0.016 0.000 1.339 458 S CA -0.717 57.475 58.200 -0.014 0.000 1.028 458 S CB 1.004 64.195 63.200 -0.015 0.000 0.906 458 S HN 0.513 nan 8.310 nan 0.000 0.528 459 I N 1.523 122.077 120.570 -0.028 0.000 2.194 459 I HA -0.223 3.947 4.170 -0.000 0.000 0.246 459 I C 2.926 179.021 176.117 -0.037 0.000 1.093 459 I CA 1.749 63.024 61.300 -0.041 0.000 1.355 459 I CB -0.717 37.247 38.000 -0.060 0.000 1.046 459 I HN 0.896 nan 8.210 nan 0.000 0.413 460 S N 0.626 116.307 115.700 -0.033 0.000 2.368 460 S HA -0.232 4.237 4.470 -0.000 0.000 0.225 460 S C 1.935 176.541 174.600 0.010 0.000 1.030 460 S CA 1.662 59.848 58.200 -0.024 0.000 0.999 460 S CB -0.248 62.934 63.200 -0.030 0.000 0.844 460 S HN 0.471 nan 8.310 nan 0.000 0.459 461 E N 0.372 120.579 120.200 0.011 0.000 2.150 461 E HA -0.027 4.323 4.350 -0.000 0.000 0.193 461 E C 2.090 178.722 176.600 0.054 0.000 0.985 461 E CA 1.201 57.618 56.400 0.028 0.000 0.814 461 E CB -0.176 29.533 29.700 0.014 0.000 0.752 461 E HN 0.526 nan 8.360 nan 0.000 0.466 462 L N -0.031 121.221 121.223 0.047 0.000 2.005 462 L HA -0.167 4.172 4.340 -0.000 0.000 0.207 462 L C 2.419 179.375 176.870 0.143 0.000 1.072 462 L CA 0.765 55.649 54.840 0.073 0.000 0.744 462 L CB -0.445 41.637 42.059 0.039 0.000 0.895 462 L HN 0.059 nan 8.230 nan 0.000 0.433 463 V N -0.735 119.252 119.914 0.121 0.000 2.295 463 V HA -0.280 3.840 4.120 -0.000 0.000 0.246 463 V C 2.617 178.936 176.094 0.374 0.000 1.049 463 V CA 2.087 64.516 62.300 0.217 0.000 1.024 463 V CB -0.428 31.399 31.823 0.007 0.000 0.648 463 V HN 0.371 nan 8.190 nan 0.000 0.447 464 S N -0.283 115.559 115.700 0.237 0.000 2.370 464 S HA -0.227 4.243 4.470 -0.000 0.000 0.226 464 S C 2.076 176.851 174.600 0.293 0.000 1.033 464 S CA 2.054 60.413 58.200 0.265 0.000 1.011 464 S CB -0.494 62.794 63.200 0.146 0.000 0.852 464 S HN 0.703 nan 8.310 nan 0.000 0.457 465 T N 2.336 117.016 114.554 0.210 0.000 2.708 465 T HA -0.072 4.277 4.350 -0.000 0.000 0.266 465 T C 2.141 176.951 174.700 0.183 0.000 1.037 465 T CA 1.328 63.527 62.100 0.165 0.000 1.146 465 T CB -0.529 68.406 68.868 0.113 0.000 0.865 465 T HN 0.476 nan 8.240 nan 0.000 0.435 466 A N 1.143 124.114 122.820 0.252 0.000 1.898 466 A HA -0.082 4.237 4.320 -0.000 0.000 0.216 466 A C 2.149 179.821 177.584 0.146 0.000 1.181 466 A CA 1.181 53.350 52.037 0.220 0.000 0.620 466 A CB -1.088 18.137 19.000 0.375 0.000 0.819 466 A HN 0.746 nan 8.150 nan 0.000 0.442 467 W N 1.256 122.640 121.300 0.141 0.000 2.333 467 W HA -0.230 4.430 4.660 -0.001 0.000 0.316 467 W C 1.061 177.603 176.519 0.037 0.000 1.215 467 W CA 2.193 59.566 57.345 0.045 0.000 1.278 467 W CB -0.330 29.247 29.460 0.195 0.000 1.154 467 W HN 0.410 nan 8.180 nan 0.000 0.486 468 D N -0.280 120.188 120.400 0.114 0.000 2.178 468 D HA -0.180 4.460 4.640 -0.000 0.000 0.201 468 D C 2.317 178.597 176.300 -0.033 0.000 0.980 468 D CA 1.817 55.842 54.000 0.042 0.000 0.842 468 D CB -0.681 40.220 40.800 0.168 0.000 0.948 468 D HN 0.059 nan 8.370 nan 0.000 0.472 469 S N -0.604 115.076 115.700 -0.034 0.000 2.387 469 S HA -0.023 4.447 4.470 -0.000 0.000 0.226 469 S C 1.859 176.398 174.600 -0.102 0.000 1.026 469 S CA 1.199 59.377 58.200 -0.037 0.000 0.972 469 S CB 0.021 63.211 63.200 -0.017 0.000 0.814 469 S HN 0.240 nan 8.310 nan 0.000 0.477 470 A N 2.040 124.716 122.820 -0.240 0.000 2.044 470 A HA 0.151 4.470 4.320 -0.000 0.000 0.213 470 A C 1.997 179.356 177.584 -0.376 0.000 1.169 470 A CA 0.654 52.502 52.037 -0.315 0.000 0.724 470 A CB -0.495 18.236 19.000 -0.449 0.000 0.840 470 A HN 0.725 nan 8.150 nan 0.000 0.463 471 R N 0.573 120.735 120.500 -0.563 0.000 2.241 471 R HA -0.104 4.235 4.340 -0.000 0.000 0.224 471 R C 1.500 177.698 176.300 -0.171 0.000 1.101 471 R CA 1.889 57.674 56.100 -0.525 0.000 0.995 471 R CB -1.331 28.575 30.300 -0.656 0.000 0.870 471 R HN 0.407 nan 8.270 nan 0.000 0.463 472 T N -2.466 112.055 114.554 -0.054 0.000 3.051 472 T HA -0.149 4.201 4.350 -0.000 0.000 0.269 472 T C 0.568 175.306 174.700 0.065 0.000 1.127 472 T CA 0.041 62.171 62.100 0.051 0.000 1.107 472 T CB -0.454 68.524 68.868 0.183 0.000 0.898 472 T HN 0.389 nan 8.240 nan 0.000 0.517 473 Y N 3.827 124.096 120.300 -0.052 0.000 2.497 473 Y HA 0.302 4.852 4.550 -0.001 0.000 0.334 473 Y C 0.537 176.432 175.900 -0.008 0.000 1.199 473 Y CA -0.917 57.172 58.100 -0.018 0.000 1.425 473 Y CB 0.528 38.958 38.460 -0.050 0.000 1.291 473 Y HN 0.269 nan 8.280 nan 0.000 0.562 474 R N 5.220 125.180 120.500 -0.900 0.000 2.515 474 R HA 0.211 4.551 4.340 -0.000 0.000 0.291 474 R C -0.783 175.034 176.300 -0.806 0.000 1.046 474 R CA -0.731 55.008 56.100 -0.602 0.000 0.914 474 R CB 0.688 30.825 30.300 -0.272 0.000 1.191 474 R HN 0.845 nan 8.270 nan 0.000 0.435 475 N N 1.441 119.879 118.700 -0.436 0.000 2.520 475 N HA -0.147 4.592 4.740 -0.000 0.000 0.185 475 N C 0.876 176.343 175.510 -0.072 0.000 1.068 475 N CA 1.238 54.219 53.050 -0.115 0.000 0.911 475 N CB 0.348 38.931 38.487 0.159 0.000 0.961 475 N HN 0.764 nan 8.380 nan 0.000 0.446 476 S N 0.953 116.592 115.700 -0.101 0.000 2.356 476 S HA -0.162 4.308 4.470 -0.000 0.000 0.223 476 S C 1.048 175.633 174.600 -0.025 0.000 1.032 476 S CA 1.587 59.756 58.200 -0.052 0.000 1.005 476 S CB -0.160 63.003 63.200 -0.060 0.000 0.867 476 S HN 0.507 nan 8.310 nan 0.000 0.449 477 D N -0.565 119.811 120.400 -0.040 0.000 2.556 477 D HA 0.157 4.797 4.640 -0.000 0.000 0.237 477 D C -0.124 176.139 176.300 -0.062 0.000 1.296 477 D CA -0.293 53.701 54.000 -0.010 0.000 0.807 477 D CB -0.348 40.538 40.800 0.143 0.000 1.084 477 D HN 0.284 nan 8.370 nan 0.000 0.510 478 K N 0.593 120.922 120.400 -0.118 0.000 3.069 478 K HA -0.223 4.097 4.320 -0.000 0.000 0.267 478 K C -0.202 176.411 176.600 0.022 0.000 1.082 478 K CA 0.583 56.837 56.287 -0.056 0.000 0.782 478 K CB -1.765 30.719 32.500 -0.026 0.000 1.230 478 K HN 0.459 nan 8.250 nan 0.000 0.488 479 R N 0.121 120.569 120.500 -0.087 0.000 2.674 479 R HA 0.607 4.947 4.340 -0.000 0.000 0.266 479 R C 0.892 177.210 176.300 0.030 0.000 1.016 479 R CA -0.007 56.094 56.100 0.001 0.000 1.062 479 R CB 1.268 31.524 30.300 -0.074 0.000 1.142 479 R HN 0.331 nan 8.270 nan 0.000 0.517 480 G N -0.504 108.402 108.800 0.176 0.000 2.728 480 G HA2 0.227 4.187 3.960 -0.000 0.000 0.294 480 G HA3 0.227 4.187 3.960 -0.000 0.000 0.294 480 G C -0.092 175.007 174.900 0.332 0.000 1.342 480 G CA -0.476 44.777 45.100 0.256 0.000 0.866 480 G HN 1.148 nan 8.290 nan 0.000 0.534 481 G N -2.703 106.245 108.800 0.247 0.000 2.479 481 G HA2 0.516 4.476 3.960 -0.000 0.000 0.686 481 G HA3 0.516 4.476 3.960 -0.000 0.000 0.686 481 G C 0.925 175.851 174.900 0.044 0.000 1.295 481 G CA 0.878 46.062 45.100 0.141 0.000 0.922 481 G HN 2.417 nan 8.290 nan 0.000 0.582 482 A N -0.063 122.727 122.820 -0.049 0.000 2.014 482 A HA 0.193 4.513 4.320 -0.000 0.000 0.218 482 A C 1.398 178.967 177.584 -0.024 0.000 1.163 482 A CA 1.960 53.965 52.037 -0.053 0.000 0.652 482 A CB -0.416 18.525 19.000 -0.099 0.000 0.808 482 A HN 1.219 nan 8.150 nan 0.000 0.449 483 N N -0.079 118.609 118.700 -0.020 0.000 2.416 483 N HA 0.210 4.949 4.740 -0.000 0.000 0.246 483 N C 1.348 176.870 175.510 0.019 0.000 1.260 483 N CA 0.860 53.908 53.050 -0.003 0.000 0.897 483 N CB 0.446 38.935 38.487 0.003 0.000 1.110 483 N HN 0.225 nan 8.380 nan 0.000 0.439 484 G N 2.166 110.974 108.800 0.014 0.000 5.446 484 G HA2 -0.279 3.680 3.960 -0.000 0.000 0.244 484 G HA3 -0.279 3.680 3.960 -0.000 0.000 0.244 484 G C 0.788 175.669 174.900 -0.032 0.000 0.946 484 G CA 1.802 46.898 45.100 -0.006 0.000 0.502 484 G HN 1.558 nan 8.290 nan 0.000 0.925 485 A N -2.154 120.649 122.820 -0.028 0.000 2.822 485 A HA -0.266 4.054 4.320 -0.000 0.000 0.287 485 A C 1.695 179.230 177.584 -0.082 0.000 1.479 485 A CA 1.959 53.971 52.037 -0.042 0.000 0.779 485 A CB -1.830 17.150 19.000 -0.034 0.000 1.022 485 A HN 0.675 nan 8.150 nan 0.000 0.532 486 R N -0.746 119.685 120.500 -0.114 0.000 2.096 486 R HA -0.047 4.293 4.340 -0.000 0.000 0.235 486 R C 2.075 178.241 176.300 -0.224 0.000 1.127 486 R CA 1.489 57.461 56.100 -0.213 0.000 0.968 486 R CB -0.306 29.788 30.300 -0.343 0.000 0.861 486 R HN 0.790 nan 8.270 nan 0.000 0.440 487 I N 2.067 122.547 120.570 -0.150 0.000 2.285 487 I HA -0.395 3.774 4.170 -0.000 0.000 0.253 487 I C 2.537 178.561 176.117 -0.156 0.000 1.104 487 I CA 1.549 62.763 61.300 -0.143 0.000 1.372 487 I CB -0.085 37.888 38.000 -0.044 0.000 1.057 487 I HN 0.219 nan 8.210 nan 0.000 0.431 488 R N 0.678 121.101 120.500 -0.128 0.000 2.235 488 R HA -0.017 4.323 4.340 -0.000 0.000 0.213 488 R C 0.571 176.786 176.300 -0.143 0.000 1.059 488 R CA 0.433 56.467 56.100 -0.111 0.000 0.997 488 R CB -0.333 29.918 30.300 -0.082 0.000 0.884 488 R HN 0.320 nan 8.270 nan 0.000 0.462 489 L N 0.958 122.062 121.223 -0.197 0.000 2.387 489 L HA 0.530 4.870 4.340 -0.000 0.000 0.266 489 L C 0.316 177.016 176.870 -0.284 0.000 1.059 489 L CA -1.194 53.516 54.840 -0.217 0.000 0.801 489 L CB 1.261 43.179 42.059 -0.236 0.000 1.223 489 L HN 0.023 nan 8.230 nan 0.000 0.456 490 A N 1.578 124.257 122.820 -0.235 0.000 2.407 490 A HA 0.402 4.722 4.320 -0.000 0.000 0.248 490 A C -1.706 175.689 177.584 -0.315 0.000 1.082 490 A CA -0.919 50.967 52.037 -0.251 0.000 0.785 490 A CB -0.100 18.811 19.000 -0.147 0.000 1.020 490 A HN 0.647 nan 8.150 nan 0.000 0.489 491 P HA -0.010 nan 4.420 nan 0.000 0.257 491 P C 0.796 177.514 177.300 -0.970 0.000 1.241 491 P CA 0.436 63.268 63.100 -0.446 0.000 0.816 491 P CB 0.326 31.918 31.700 -0.181 0.000 1.150 492 Q N 1.694 120.736 119.800 -1.264 0.000 2.045 492 Q HA -0.202 4.138 4.340 -0.000 0.000 0.206 492 Q C 2.142 177.785 176.000 -0.596 0.000 0.991 492 Q CA 2.047 56.994 55.803 -1.426 0.000 0.851 492 Q CB -0.681 27.508 28.738 -0.916 0.000 0.911 492 Q HN 0.472 nan 8.270 nan 0.000 0.418 493 K N 0.203 120.380 120.400 -0.371 0.000 2.362 493 K HA -0.179 4.141 4.320 -0.000 0.000 0.202 493 K C 0.543 177.081 176.600 -0.105 0.000 1.045 493 K CA 1.704 57.886 56.287 -0.176 0.000 0.936 493 K CB 0.100 32.513 32.500 -0.145 0.000 0.747 493 K HN 0.104 nan 8.250 nan 0.000 0.467 494 D N -0.565 119.747 120.400 -0.145 0.000 2.433 494 D HA 0.044 4.684 4.640 -0.000 0.000 0.211 494 D C -0.371 176.007 176.300 0.131 0.000 1.114 494 D CA -0.154 53.836 54.000 -0.017 0.000 0.837 494 D CB 0.122 40.907 40.800 -0.025 0.000 0.984 494 D HN 0.159 nan 8.370 nan 0.000 0.505 495 W N 2.334 123.657 121.300 0.038 0.000 2.264 495 W HA 0.066 4.726 4.660 -0.000 0.000 0.331 495 W C 1.813 178.376 176.519 0.074 0.000 1.364 495 W CA -0.638 56.738 57.345 0.052 0.000 1.253 495 W CB 0.299 29.790 29.460 0.052 0.000 1.215 495 W HN 0.097 nan 8.180 nan 0.000 0.561 496 E N 1.909 122.291 120.200 0.303 0.000 2.049 496 E HA -0.200 4.150 4.350 -0.000 0.000 0.198 496 E C 2.187 178.983 176.600 0.327 0.000 1.007 496 E CA 1.894 58.441 56.400 0.245 0.000 0.809 496 E CB -0.343 29.461 29.700 0.173 0.000 0.749 496 E HN 0.707 nan 8.360 nan 0.000 0.450 497 G N 0.540 109.505 108.800 0.274 0.000 2.462 497 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.220 497 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.220 497 G C 1.347 176.452 174.900 0.342 0.000 1.121 497 G CA 0.637 45.934 45.100 0.328 0.000 0.758 497 G HN 0.199 nan 8.290 nan 0.000 0.559 498 N N 0.840 119.716 118.700 0.294 0.000 2.461 498 N HA 0.030 4.769 4.740 -0.000 0.000 0.188 498 N C 0.049 175.633 175.510 0.124 0.000 1.134 498 N CA 0.170 53.355 53.050 0.225 0.000 0.878 498 N CB 0.008 38.643 38.487 0.247 0.000 0.972 498 N HN 0.479 nan 8.380 nan 0.000 0.456 499 E N -0.672 119.581 120.200 0.087 0.000 2.513 499 E HA -0.183 4.167 4.350 -0.000 0.000 0.156 499 E C -1.890 174.722 176.600 0.021 0.000 1.740 499 E CA -0.336 56.054 56.400 -0.016 0.000 0.646 499 E CB -0.481 29.136 29.700 -0.138 0.000 1.080 499 E HN 0.295 nan 8.360 nan 0.000 0.345 500 P HA -0.223 nan 4.420 nan 0.000 0.217 500 P C 0.856 178.164 177.300 0.013 0.000 1.151 500 P CA 1.254 64.373 63.100 0.032 0.000 0.849 500 P CB 0.221 31.947 31.700 0.043 0.000 0.787 501 D N -1.745 118.660 120.400 0.009 0.000 2.162 501 D HA -0.074 4.566 4.640 -0.000 0.000 0.205 501 D C 2.037 178.336 176.300 -0.002 0.000 0.964 501 D CA 0.753 54.755 54.000 0.003 0.000 0.847 501 D CB -0.489 40.313 40.800 0.003 0.000 0.988 501 D HN 0.119 nan 8.370 nan 0.000 0.480 502 R N 0.688 121.185 120.500 -0.006 0.000 2.115 502 R HA -0.070 4.270 4.340 -0.000 0.000 0.226 502 R C 2.152 178.455 176.300 0.005 0.000 1.100 502 R CA 0.464 56.561 56.100 -0.005 0.000 0.980 502 R CB -0.350 29.942 30.300 -0.014 0.000 0.875 502 R HN 0.115 nan 8.270 nan 0.000 0.445 503 L N 2.088 123.317 121.223 0.010 0.000 2.083 503 L HA -0.027 4.313 4.340 -0.000 0.000 0.209 503 L C -1.074 175.798 176.870 0.004 0.000 1.083 503 L CA 1.744 56.593 54.840 0.015 0.000 0.752 503 L CB -0.765 41.307 42.059 0.021 0.000 0.899 503 L HN 0.127 nan 8.230 nan 0.000 0.433 504 P HA -0.170 nan 4.420 nan 0.000 0.221 504 P C 1.455 178.751 177.300 -0.007 0.000 1.155 504 P CA 1.222 64.316 63.100 -0.009 0.000 0.812 504 P CB -0.015 31.678 31.700 -0.011 0.000 0.801 505 K N 0.513 120.911 120.400 -0.004 0.000 2.063 505 K HA -0.091 4.229 4.320 -0.000 0.000 0.208 505 K C 1.874 178.473 176.600 -0.003 0.000 1.048 505 K CA 1.534 57.818 56.287 -0.004 0.000 0.928 505 K CB -0.407 32.092 32.500 -0.003 0.000 0.713 505 K HN -0.095 nan 8.250 nan 0.000 0.442 506 V N 1.359 121.274 119.914 0.002 0.000 2.488 506 V HA -0.168 3.952 4.120 -0.000 0.000 0.246 506 V C 2.242 178.336 176.094 0.000 0.000 1.046 506 V CA 1.201 63.504 62.300 0.006 0.000 1.053 506 V CB -0.262 31.572 31.823 0.019 0.000 0.679 506 V HN 0.311 nan 8.190 nan 0.000 0.458 507 L N 0.161 121.381 121.223 -0.004 0.000 2.056 507 L HA -0.126 4.213 4.340 -0.000 0.000 0.207 507 L C 2.801 179.661 176.870 -0.018 0.000 1.078 507 L CA 1.454 56.286 54.840 -0.013 0.000 0.749 507 L CB -0.829 41.218 42.059 -0.020 0.000 0.901 507 L HN 0.368 nan 8.230 nan 0.000 0.433 508 A N 0.009 122.820 122.820 -0.016 0.000 1.873 508 A HA -0.207 4.112 4.320 -0.000 0.000 0.218 508 A C 2.336 179.909 177.584 -0.018 0.000 1.193 508 A CA 2.251 54.278 52.037 -0.018 0.000 0.629 508 A CB -0.991 18.000 19.000 -0.014 0.000 0.826 508 A HN 0.191 nan 8.150 nan 0.000 0.447 509 V N 0.102 120.007 119.914 -0.015 0.000 2.261 509 V HA -0.268 3.852 4.120 -0.000 0.000 0.246 509 V C 2.588 178.669 176.094 -0.022 0.000 1.047 509 V CA 2.107 64.397 62.300 -0.017 0.000 1.015 509 V CB -0.804 31.011 31.823 -0.013 0.000 0.642 509 V HN 0.579 nan 8.190 nan 0.000 0.446 510 L N -0.520 120.691 121.223 -0.020 0.000 2.141 510 L HA -0.184 4.155 4.340 -0.000 0.000 0.209 510 L C 2.491 179.339 176.870 -0.036 0.000 1.094 510 L CA 1.536 56.360 54.840 -0.027 0.000 0.763 510 L CB -0.549 41.500 42.059 -0.016 0.000 0.908 510 L HN 0.383 nan 8.230 nan 0.000 0.437 511 E N 0.208 120.389 120.200 -0.032 0.000 2.106 511 E HA -0.135 4.215 4.350 -0.000 0.000 0.192 511 E C 2.209 178.786 176.600 -0.040 0.000 0.984 511 E CA 0.999 57.377 56.400 -0.037 0.000 0.806 511 E CB -0.095 29.585 29.700 -0.033 0.000 0.750 511 E HN 0.448 nan 8.360 nan 0.000 0.458 512 G N 0.786 109.565 108.800 -0.035 0.000 2.402 512 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.216 512 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.216 512 G C 1.540 176.415 174.900 -0.042 0.000 1.162 512 G CA 0.671 45.750 45.100 -0.034 0.000 0.777 512 G HN 0.193 nan 8.290 nan 0.000 0.539 513 I N 1.935 122.476 120.570 -0.048 0.000 2.264 513 I HA -0.222 3.948 4.170 -0.000 0.000 0.248 513 I C 3.129 179.194 176.117 -0.085 0.000 1.111 513 I CA 1.522 62.785 61.300 -0.061 0.000 1.382 513 I CB -0.226 37.736 38.000 -0.063 0.000 1.060 513 I HN 0.291 nan 8.210 nan 0.000 0.418 514 S N 1.262 116.908 115.700 -0.090 0.000 2.368 514 S HA -0.079 4.391 4.470 -0.000 0.000 0.224 514 S C 2.258 176.804 174.600 -0.092 0.000 1.029 514 S CA 0.766 58.896 58.200 -0.116 0.000 0.988 514 S CB -0.606 62.534 63.200 -0.099 0.000 0.838 514 S HN 0.425 nan 8.310 nan 0.000 0.462 515 A N 2.197 124.979 122.820 -0.063 0.000 1.902 515 A HA 0.317 4.637 4.320 -0.000 0.000 0.217 515 A C 2.479 180.037 177.584 -0.043 0.000 1.181 515 A CA 1.629 53.639 52.037 -0.047 0.000 0.623 515 A CB -1.368 17.610 19.000 -0.036 0.000 0.818 515 A HN 0.772 nan 8.150 nan 0.000 0.443 516 A N -0.609 122.184 122.820 -0.046 0.000 2.015 516 A HA 0.173 4.492 4.320 -0.000 0.000 0.219 516 A C 1.629 179.188 177.584 -0.041 0.000 1.163 516 A CA 1.785 53.800 52.037 -0.038 0.000 0.646 516 A CB -0.881 18.098 19.000 -0.035 0.000 0.806 516 A HN 0.659 nan 8.150 nan 0.000 0.448 517 T N -5.158 109.355 114.554 -0.068 0.000 2.870 517 T HA 0.557 4.907 4.350 -0.000 0.000 0.277 517 T C 0.897 175.547 174.700 -0.082 0.000 1.000 517 T CA -0.023 62.030 62.100 -0.078 0.000 0.982 517 T CB 1.452 70.230 68.868 -0.149 0.000 1.249 517 T HN 0.289 nan 8.240 nan 0.000 0.589 518 G N -0.751 108.013 108.800 -0.060 0.000 3.337 518 G HA2 0.511 4.471 3.960 -0.000 0.000 0.246 518 G HA3 0.511 4.471 3.960 -0.000 0.000 0.246 518 G C 0.398 175.251 174.900 -0.078 0.000 1.131 518 G CA -0.088 45.006 45.100 -0.011 0.000 0.773 518 G HN 1.068 nan 8.290 nan 0.000 0.544 519 A N 0.855 123.429 122.820 -0.410 0.000 2.327 519 A HA 0.635 4.955 4.320 -0.000 0.000 0.283 519 A C 0.884 178.309 177.584 -0.264 0.000 1.127 519 A CA 0.089 51.716 52.037 -0.684 0.000 0.810 519 A CB 0.310 18.418 19.000 -1.488 0.000 1.066 519 A HN 0.493 nan 8.150 nan 0.000 0.492 520 T N -0.103 114.384 114.554 -0.111 0.000 2.856 520 T HA 0.236 4.585 4.350 -0.000 0.000 0.306 520 T C 1.191 175.861 174.700 -0.050 0.000 1.062 520 T CA 0.042 62.118 62.100 -0.041 0.000 1.083 520 T CB 0.528 69.409 68.868 0.021 0.000 0.984 520 T HN 0.526 nan 8.240 nan 0.000 0.542 521 V N 2.775 122.666 119.914 -0.038 0.000 2.407 521 V HA -0.105 4.015 4.120 -0.000 0.000 0.248 521 V C 3.086 179.175 176.094 -0.008 0.000 1.055 521 V CA 2.158 64.438 62.300 -0.033 0.000 1.049 521 V CB -1.733 30.070 31.823 -0.034 0.000 0.662 521 V HN 1.077 nan 8.190 nan 0.000 0.455 522 A N -0.006 122.816 122.820 0.003 0.000 1.877 522 A HA -0.269 4.051 4.320 -0.000 0.000 0.216 522 A C 2.026 179.652 177.584 0.069 0.000 1.186 522 A CA 2.155 54.206 52.037 0.022 0.000 0.620 522 A CB -0.687 18.321 19.000 0.014 0.000 0.822 522 A HN 0.503 nan 8.150 nan 0.000 0.443 523 D N -0.627 119.836 120.400 0.105 0.000 2.144 523 D HA -0.079 4.561 4.640 -0.000 0.000 0.199 523 D C 1.978 178.391 176.300 0.188 0.000 0.984 523 D CA 1.143 55.293 54.000 0.250 0.000 0.834 523 D CB -0.179 40.821 40.800 0.332 0.000 0.955 523 D HN 0.187 nan 8.370 nan 0.000 0.465 524 V N 0.684 120.624 119.914 0.043 0.000 2.379 524 V HA -0.164 3.955 4.120 -0.000 0.000 0.245 524 V C 2.396 178.505 176.094 0.026 0.000 1.044 524 V CA 0.926 63.217 62.300 -0.016 0.000 1.036 524 V CB -0.223 31.562 31.823 -0.064 0.000 0.664 524 V HN 0.214 nan 8.190 nan 0.000 0.453 525 I N -0.510 120.088 120.570 0.046 0.000 2.286 525 I HA -0.196 3.974 4.170 -0.000 0.000 0.248 525 I C 2.336 178.522 176.117 0.115 0.000 1.115 525 I CA 1.139 62.478 61.300 0.065 0.000 1.392 525 I CB -0.372 37.657 38.000 0.049 0.000 1.065 525 I HN 0.147 nan 8.210 nan 0.000 0.418 526 V N 0.398 120.400 119.914 0.146 0.000 2.323 526 V HA -0.242 3.878 4.120 -0.000 0.000 0.244 526 V C 2.352 178.596 176.094 0.251 0.000 1.041 526 V CA 1.313 63.742 62.300 0.215 0.000 1.025 526 V CB -0.433 31.545 31.823 0.258 0.000 0.656 526 V HN 0.299 nan 8.190 nan 0.000 0.451 527 L N 0.658 121.971 121.223 0.151 0.000 2.079 527 L HA -0.114 4.226 4.340 -0.000 0.000 0.210 527 L C 2.463 179.331 176.870 -0.003 0.000 1.081 527 L CA 2.247 57.034 54.840 -0.088 0.000 0.752 527 L CB -1.150 40.702 42.059 -0.346 0.000 0.896 527 L HN 0.285 nan 8.230 nan 0.000 0.433 528 A N -0.978 121.867 122.820 0.041 0.000 1.873 528 A HA -0.057 4.263 4.320 -0.000 0.000 0.215 528 A C 2.387 180.035 177.584 0.106 0.000 1.186 528 A CA 1.477 53.543 52.037 0.048 0.000 0.616 528 A CB -1.395 17.634 19.000 0.048 0.000 0.823 528 A HN 0.462 nan 8.150 nan 0.000 0.442 529 G N 0.142 109.072 108.800 0.216 0.000 2.446 529 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.217 529 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.217 529 G C 1.367 176.408 174.900 0.236 0.000 1.168 529 G CA 1.282 46.596 45.100 0.356 0.000 0.771 529 G HN 0.538 nan 8.290 nan 0.000 0.551 530 N N 0.136 119.011 118.700 0.292 0.000 2.205 530 N HA -0.097 4.642 4.740 -0.000 0.000 0.186 530 N C 2.182 177.707 175.510 0.025 0.000 1.015 530 N CA 0.954 54.111 53.050 0.178 0.000 0.862 530 N CB -0.401 38.203 38.487 0.196 0.000 0.986 530 N HN 0.219 nan 8.380 nan 0.000 0.429 531 V N 0.133 120.055 119.914 0.014 0.000 2.379 531 V HA -0.094 4.026 4.120 -0.000 0.000 0.245 531 V C 2.316 178.384 176.094 -0.043 0.000 1.044 531 V CA 1.957 64.245 62.300 -0.021 0.000 1.036 531 V CB -1.128 30.682 31.823 -0.022 0.000 0.664 531 V HN 0.369 nan 8.190 nan 0.000 0.453 532 G N -0.176 108.598 108.800 -0.043 0.000 2.446 532 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.217 532 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.217 532 G C 1.682 176.497 174.900 -0.141 0.000 1.168 532 G CA 1.350 46.404 45.100 -0.077 0.000 0.771 532 G HN 0.378 nan 8.290 nan 0.000 0.551 533 V N 0.622 120.406 119.914 -0.217 0.000 2.343 533 V HA -0.167 3.953 4.120 -0.000 0.000 0.247 533 V C 2.660 178.663 176.094 -0.152 0.000 1.051 533 V CA 2.251 64.390 62.300 -0.268 0.000 1.036 533 V CB -0.531 31.026 31.823 -0.444 0.000 0.654 533 V HN 0.460 nan 8.190 nan 0.000 0.451 534 E N -0.375 119.765 120.200 -0.100 0.000 2.077 534 E HA -0.265 4.084 4.350 -0.000 0.000 0.193 534 E C 2.370 178.935 176.600 -0.058 0.000 0.989 534 E CA 1.319 57.683 56.400 -0.060 0.000 0.800 534 E CB -0.141 29.538 29.700 -0.035 0.000 0.746 534 E HN 0.648 nan 8.360 nan 0.000 0.452 535 Q N 0.243 120.005 119.800 -0.063 0.000 2.124 535 Q HA -0.136 4.204 4.340 -0.000 0.000 0.202 535 Q C 1.997 177.959 176.000 -0.063 0.000 0.977 535 Q CA 0.912 56.683 55.803 -0.054 0.000 0.850 535 Q CB 0.132 28.840 28.738 -0.051 0.000 0.901 535 Q HN 0.082 nan 8.270 nan 0.000 0.429 536 K N 0.069 120.415 120.400 -0.090 0.000 2.103 536 K HA -0.021 4.299 4.320 -0.000 0.000 0.204 536 K C 1.976 178.525 176.600 -0.085 0.000 1.052 536 K CA 1.029 57.255 56.287 -0.101 0.000 0.945 536 K CB -0.116 32.291 32.500 -0.154 0.000 0.722 536 K HN 0.119 nan 8.250 nan 0.000 0.443 537 A N 1.662 124.433 122.820 -0.082 0.000 1.930 537 A HA -0.147 4.173 4.320 -0.000 0.000 0.217 537 A C 2.237 179.803 177.584 -0.031 0.000 1.175 537 A CA 1.272 53.277 52.037 -0.055 0.000 0.627 537 A CB -0.392 18.579 19.000 -0.048 0.000 0.815 537 A HN 0.234 nan 8.150 nan 0.000 0.443 538 R N -0.249 120.232 120.500 -0.032 0.000 2.096 538 R HA -0.089 4.251 4.340 -0.000 0.000 0.235 538 R C 2.137 178.427 176.300 -0.018 0.000 1.127 538 R CA 1.400 57.487 56.100 -0.020 0.000 0.968 538 R CB -0.367 29.921 30.300 -0.022 0.000 0.861 538 R HN 0.423 nan 8.270 nan 0.000 0.440 539 A N 0.079 122.884 122.820 -0.025 0.000 2.067 539 A HA 0.037 4.357 4.320 -0.000 0.000 0.219 539 A C 1.859 179.436 177.584 -0.012 0.000 1.158 539 A CA 1.336 53.361 52.037 -0.020 0.000 0.661 539 A CB -0.271 18.712 19.000 -0.029 0.000 0.801 539 A HN 0.457 nan 8.150 nan 0.000 0.452 540 A N -1.179 121.635 122.820 -0.010 0.000 2.415 540 A HA 0.463 4.783 4.320 -0.000 0.000 0.248 540 A C 1.409 179.000 177.584 0.012 0.000 1.299 540 A CA 0.700 52.739 52.037 0.005 0.000 0.899 540 A CB -1.155 17.853 19.000 0.013 0.000 0.997 540 A HN 1.771 nan 8.150 nan 0.000 0.506 541 G N -0.569 108.234 108.800 0.005 0.000 2.314 541 G HA2 -0.124 3.835 3.960 -0.000 0.000 0.292 541 G HA3 -0.124 3.835 3.960 -0.000 0.000 0.292 541 G C -0.161 174.746 174.900 0.012 0.000 1.059 541 G CA 0.406 45.511 45.100 0.008 0.000 0.982 541 G HN 1.105 nan 8.290 nan 0.000 0.505 542 V N -0.521 119.397 119.914 0.007 0.000 2.577 542 V HA 0.572 4.692 4.120 -0.000 0.000 0.303 542 V C -0.314 175.781 176.094 0.002 0.000 1.042 542 V CA -1.398 60.907 62.300 0.009 0.000 0.872 542 V CB 2.056 33.886 31.823 0.013 0.000 0.998 542 V HN 0.281 nan 8.190 nan 0.000 0.423 543 E N 5.374 125.577 120.200 0.005 0.000 2.156 543 E HA 0.726 5.076 4.350 -0.000 0.000 0.279 543 E C -0.720 175.883 176.600 0.005 0.000 0.965 543 E CA -0.219 56.183 56.400 0.003 0.000 0.789 543 E CB 2.434 32.136 29.700 0.005 0.000 1.098 543 E HN 0.778 nan 8.360 nan 0.000 0.397 544 I N -1.726 118.845 120.570 0.003 0.000 2.841 544 I HA 0.470 4.640 4.170 -0.000 0.000 0.298 544 I C -0.768 175.357 176.117 0.012 0.000 1.304 544 I CA -1.346 59.960 61.300 0.009 0.000 1.019 544 I CB 2.064 40.069 38.000 0.009 0.000 1.282 544 I HN -0.039 nan 8.210 nan 0.000 0.432 545 V N 4.375 124.302 119.914 0.022 0.000 2.350 545 V HA 0.437 4.556 4.120 -0.000 0.000 0.285 545 V C 0.149 176.273 176.094 0.051 0.000 1.014 545 V CA -0.589 61.730 62.300 0.031 0.000 0.831 545 V CB 1.209 33.051 31.823 0.032 0.000 1.000 545 V HN 0.528 nan 8.190 nan 0.000 0.433 546 L N 5.984 127.247 121.223 0.068 0.000 2.380 546 L HA 0.369 4.709 4.340 -0.000 0.000 0.273 546 L C -1.948 175.006 176.870 0.141 0.000 1.138 546 L CA -1.394 53.511 54.840 0.107 0.000 0.832 546 L CB 0.809 42.957 42.059 0.148 0.000 1.124 546 L HN 0.396 nan 8.230 nan 0.000 0.454 547 P HA 0.124 nan 4.420 nan 0.000 0.269 547 P C -1.029 176.404 177.300 0.222 0.000 1.217 547 P CA 0.114 63.290 63.100 0.126 0.000 0.783 547 P CB 0.435 32.174 31.700 0.065 0.000 0.898 548 F N 0.347 120.307 119.950 0.017 0.000 2.665 548 F HA 0.620 5.146 4.527 -0.001 0.000 0.308 548 F C -1.753 174.044 175.800 -0.005 0.000 1.112 548 F CA -0.698 57.313 58.000 0.019 0.000 0.972 548 F CB 1.360 40.387 39.000 0.044 0.000 1.295 548 F HN 0.400 nan 8.300 nan 0.000 0.440 549 A N 5.721 127.854 122.820 -1.145 0.000 2.385 549 A HA 0.796 5.116 4.320 -0.000 0.000 0.290 549 A C -3.111 173.884 177.584 -0.981 0.000 1.094 549 A CA -1.686 49.903 52.037 -0.746 0.000 0.729 549 A CB 1.194 19.945 19.000 -0.415 0.000 1.194 549 A HN 0.399 nan 8.150 nan 0.000 0.442 550 P HA 0.577 nan 4.420 nan 0.000 0.276 550 P C 1.023 178.278 177.300 -0.076 0.000 1.261 550 P CA 1.097 64.158 63.100 -0.065 0.000 0.800 550 P CB 1.078 32.761 31.700 -0.029 0.000 1.066 551 G N -0.642 108.190 108.800 0.052 0.000 2.296 551 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.188 551 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.188 551 G C 0.144 175.054 174.900 0.017 0.000 1.000 551 G CA -0.573 44.536 45.100 0.015 0.000 0.672 551 G HN 0.475 nan 8.290 nan 0.000 0.483 552 R N 0.856 121.368 120.500 0.021 0.000 2.623 552 R HA 0.448 4.788 4.340 -0.000 0.000 0.271 552 R C 0.970 177.288 176.300 0.030 0.000 1.043 552 R CA 0.854 56.962 56.100 0.012 0.000 1.083 552 R CB 0.580 30.889 30.300 0.015 0.000 0.974 552 R HN 0.331 nan 8.270 nan 0.000 0.436 553 G N 0.845 109.653 108.800 0.013 0.000 2.509 553 G HA2 0.250 4.209 3.960 -0.000 0.000 0.328 553 G HA3 0.250 4.209 3.960 -0.000 0.000 0.328 553 G C -1.065 173.834 174.900 -0.001 0.000 1.194 553 G CA -0.576 44.530 45.100 0.010 0.000 0.967 553 G HN 0.452 nan 8.290 nan 0.000 0.488 554 D N 0.225 120.619 120.400 -0.010 0.000 2.193 554 D HA 0.536 5.176 4.640 -0.000 0.000 0.244 554 D C 0.179 176.461 176.300 -0.030 0.000 1.064 554 D CA 0.104 54.089 54.000 -0.024 0.000 0.845 554 D CB 1.887 42.670 40.800 -0.028 0.000 1.148 554 D HN 0.505 nan 8.370 nan 0.000 0.464 555 A N 1.708 124.502 122.820 -0.043 0.000 2.293 555 A HA 0.601 4.921 4.320 -0.000 0.000 0.302 555 A C 0.548 178.094 177.584 -0.063 0.000 1.119 555 A CA -0.573 51.436 52.037 -0.047 0.000 0.823 555 A CB 0.620 19.590 19.000 -0.050 0.000 1.097 555 A HN 0.523 nan 8.150 nan 0.000 0.491 556 T N -1.289 113.233 114.554 -0.054 0.000 2.918 556 T HA 0.530 4.880 4.350 -0.000 0.000 0.283 556 T C 1.125 175.785 174.700 -0.067 0.000 1.001 556 T CA -0.001 62.066 62.100 -0.055 0.000 1.041 556 T CB 1.411 70.255 68.868 -0.040 0.000 1.028 556 T HN 1.211 nan 8.240 nan 0.000 0.511 557 A N 0.957 123.737 122.820 -0.067 0.000 2.015 557 A HA -0.058 4.261 4.320 -0.000 0.000 0.219 557 A C 2.270 179.829 177.584 -0.041 0.000 1.163 557 A CA 1.421 53.416 52.037 -0.071 0.000 0.646 557 A CB -0.883 18.078 19.000 -0.065 0.000 0.806 557 A HN 1.006 nan 8.150 nan 0.000 0.448 558 E N -0.120 120.062 120.200 -0.029 0.000 2.106 558 E HA -0.209 4.141 4.350 -0.000 0.000 0.192 558 E C 1.079 177.677 176.600 -0.004 0.000 0.984 558 E CA 1.162 57.555 56.400 -0.013 0.000 0.806 558 E CB -0.387 29.305 29.700 -0.014 0.000 0.750 558 E HN 0.741 nan 8.360 nan 0.000 0.458 559 Q N 0.887 120.680 119.800 -0.012 0.000 2.217 559 Q HA 0.156 4.495 4.340 -0.000 0.000 0.226 559 Q C -0.620 175.399 176.000 0.032 0.000 0.875 559 Q CA 0.086 55.890 55.803 0.002 0.000 0.974 559 Q CB 0.933 29.662 28.738 -0.015 0.000 1.079 559 Q HN 0.044 nan 8.270 nan 0.000 0.463 560 T N 0.728 115.296 114.554 0.024 0.000 2.864 560 T HA 0.074 4.424 4.350 -0.000 0.000 0.299 560 T C -1.009 173.758 174.700 0.111 0.000 1.011 560 T CA -0.673 61.447 62.100 0.034 0.000 0.975 560 T CB 1.177 69.948 68.868 -0.161 0.000 0.962 560 T HN 0.005 nan 8.240 nan 0.000 0.448 561 D N 2.673 123.241 120.400 0.280 0.000 2.402 561 D HA 0.125 4.764 4.640 -0.000 0.000 0.235 561 D C 1.293 177.797 176.300 0.339 0.000 1.226 561 D CA 0.054 54.212 54.000 0.264 0.000 0.918 561 D CB 1.003 41.955 40.800 0.253 0.000 1.043 561 D HN 0.376 nan 8.370 nan 0.000 0.506 562 T N 3.079 117.749 114.554 0.194 0.000 2.737 562 T HA -0.163 4.187 4.350 -0.000 0.000 0.269 562 T C 1.458 176.297 174.700 0.231 0.000 1.040 562 T CA 1.092 63.297 62.100 0.175 0.000 1.142 562 T CB 0.182 69.099 68.868 0.082 0.000 0.861 562 T HN 0.471 nan 8.240 nan 0.000 0.456 563 E N 1.228 121.542 120.200 0.191 0.000 2.107 563 E HA -0.053 4.296 4.350 -0.000 0.000 0.191 563 E C 2.626 179.329 176.600 0.171 0.000 0.982 563 E CA 1.249 57.750 56.400 0.168 0.000 0.809 563 E CB -0.370 29.406 29.700 0.127 0.000 0.756 563 E HN 0.645 nan 8.360 nan 0.000 0.459 564 S N -0.080 115.723 115.700 0.173 0.000 2.453 564 S HA -0.032 4.438 4.470 -0.000 0.000 0.231 564 S C 1.704 176.303 174.600 -0.003 0.000 1.005 564 S CA 0.268 58.514 58.200 0.077 0.000 0.949 564 S CB -0.394 62.832 63.200 0.042 0.000 0.774 564 S HN 0.077 nan 8.310 nan 0.000 0.510 565 F N 1.802 121.850 119.950 0.164 0.000 2.710 565 F HA 0.440 4.966 4.527 -0.000 0.000 0.298 565 F C 2.518 178.521 175.800 0.339 0.000 1.137 565 F CA 0.121 58.262 58.000 0.235 0.000 1.444 565 F CB -0.361 38.769 39.000 0.217 0.000 1.111 565 F HN 0.301 nan 8.300 nan 0.000 0.580 566 A N -0.450 122.599 122.820 0.381 0.000 1.978 566 A HA -0.162 4.158 4.320 -0.000 0.000 0.220 566 A C 2.325 179.959 177.584 0.083 0.000 1.170 566 A CA 1.684 53.898 52.037 0.296 0.000 0.636 566 A CB -1.098 18.020 19.000 0.196 0.000 0.810 566 A HN 0.187 nan 8.150 nan 0.000 0.448 567 V N -0.211 119.732 119.914 0.049 0.000 2.913 567 V HA -0.086 4.034 4.120 -0.000 0.000 0.260 567 V C 1.817 177.856 176.094 -0.093 0.000 1.098 567 V CA 1.422 63.697 62.300 -0.042 0.000 1.121 567 V CB -0.308 31.490 31.823 -0.042 0.000 0.714 567 V HN 0.591 nan 8.190 nan 0.000 0.487 568 L N -0.336 120.862 121.223 -0.042 0.000 2.667 568 L HA 0.248 4.587 4.340 -0.000 0.000 0.232 568 L C 0.998 177.667 176.870 -0.336 0.000 1.138 568 L CA 0.014 54.817 54.840 -0.062 0.000 0.921 568 L CB -0.019 42.135 42.059 0.158 0.000 1.180 568 L HN 0.318 nan 8.230 nan 0.000 0.487 569 E N 3.828 123.606 120.200 -0.705 0.000 2.415 569 E HA 0.031 4.380 4.350 -0.000 0.000 0.263 569 E C -1.965 174.170 176.600 -0.775 0.000 0.995 569 E CA -1.530 53.990 56.400 -1.468 0.000 0.915 569 E CB 0.815 29.654 29.700 -1.435 0.000 0.951 569 E HN -0.027 nan 8.360 nan 0.000 0.449 570 P HA 0.058 nan 4.420 nan 0.000 0.247 570 P C 0.516 177.648 177.300 -0.281 0.000 1.756 570 P CA 0.136 63.038 63.100 -0.330 0.000 1.117 570 P CB -0.359 31.274 31.700 -0.113 0.000 1.869 571 I N -0.080 120.288 120.570 -0.337 0.000 3.111 571 I HA 0.074 4.244 4.170 -0.000 0.000 0.272 571 I C 0.785 176.862 176.117 -0.068 0.000 1.268 571 I CA 0.182 61.365 61.300 -0.195 0.000 1.467 571 I CB -0.639 37.261 38.000 -0.166 0.000 1.087 571 I HN 0.275 nan 8.210 nan 0.000 0.467 572 H N -0.286 118.753 119.070 -0.051 0.000 3.038 572 H HA 0.591 5.146 4.556 -0.000 0.000 0.362 572 H C -2.001 173.345 175.328 0.029 0.000 1.167 572 H CA -0.890 55.148 56.048 -0.017 0.000 1.197 572 H CB 2.186 31.937 29.762 -0.019 0.000 1.840 572 H HN 0.071 nan 8.280 nan 0.000 0.540 573 D N 2.575 123.131 120.400 0.260 0.000 2.312 573 D HA 0.286 4.926 4.640 -0.000 0.000 0.229 573 D C 0.437 176.855 176.300 0.197 0.000 1.337 573 D CA 0.158 54.319 54.000 0.269 0.000 0.964 573 D CB 1.426 42.395 40.800 0.281 0.000 1.456 573 D HN 0.718 nan 8.370 nan 0.000 0.547 574 A N 3.511 126.436 122.820 0.174 0.000 2.015 574 A HA -0.040 4.280 4.320 -0.000 0.000 0.219 574 A C 2.113 179.730 177.584 0.055 0.000 1.163 574 A CA 0.742 52.840 52.037 0.102 0.000 0.646 574 A CB -0.425 18.640 19.000 0.108 0.000 0.806 574 A HN 0.700 nan 8.150 nan 0.000 0.448 575 I N -0.813 119.808 120.570 0.085 0.000 2.530 575 I HA -0.221 3.949 4.170 -0.000 0.000 0.257 575 I C 1.882 177.882 176.117 -0.195 0.000 1.179 575 I CA 1.118 62.362 61.300 -0.093 0.000 1.440 575 I CB -0.039 37.917 38.000 -0.074 0.000 1.087 575 I HN 0.364 nan 8.210 nan 0.000 0.440 576 A N -0.451 122.352 122.820 -0.029 0.000 2.616 576 A HA 0.203 4.523 4.320 -0.000 0.000 0.294 576 A C 0.938 178.548 177.584 0.042 0.000 1.091 576 A CA -0.124 51.904 52.037 -0.016 0.000 0.971 576 A CB 0.007 19.064 19.000 0.095 0.000 1.222 576 A HN 0.175 nan 8.150 nan 0.000 0.521 577 T N 0.470 115.033 114.554 0.015 0.000 3.398 577 T HA -0.170 4.179 4.350 -0.000 0.000 0.408 577 T C 0.541 175.270 174.700 0.049 0.000 0.769 577 T CA 1.168 63.285 62.100 0.027 0.000 2.018 577 T CB -1.492 67.379 68.868 0.005 0.000 1.703 577 T HN 1.363 nan 8.240 nan 0.000 0.639 578 G N 0.704 109.535 108.800 0.052 0.000 2.530 578 G HA2 0.591 4.551 3.960 -0.000 0.000 0.316 578 G HA3 0.591 4.551 3.960 -0.000 0.000 0.316 578 G C -0.926 173.970 174.900 -0.006 0.000 1.298 578 G CA -0.357 44.736 45.100 -0.012 0.000 0.948 578 G HN 0.384 nan 8.290 nan 0.000 0.486 579 S N 0.898 116.565 115.700 -0.056 0.000 2.779 579 S HA 0.320 4.790 4.470 -0.000 0.000 0.293 579 S C 1.044 175.608 174.600 -0.060 0.000 1.150 579 S CA -0.426 57.762 58.200 -0.020 0.000 1.057 579 S CB 1.704 64.895 63.200 -0.015 0.000 1.021 579 S HN 0.662 nan 8.310 nan 0.000 0.485 580 S N 3.208 118.880 115.700 -0.048 0.000 2.370 580 S HA -0.031 4.439 4.470 -0.000 0.000 0.226 580 S C 0.772 175.354 174.600 -0.030 0.000 1.033 580 S CA 1.268 59.435 58.200 -0.054 0.000 1.011 580 S CB 0.012 63.186 63.200 -0.043 0.000 0.852 580 S HN 0.806 nan 8.310 nan 0.000 0.457 581 R N -1.112 119.379 120.500 -0.015 0.000 2.752 581 R HA 0.433 4.773 4.340 -0.000 0.000 0.271 581 R C -1.175 175.121 176.300 -0.006 0.000 1.026 581 R CA -0.881 55.214 56.100 -0.008 0.000 0.901 581 R CB 0.283 30.582 30.300 -0.002 0.000 1.243 581 R HN -0.114 nan 8.270 nan 0.000 0.463 582 T N 1.556 116.106 114.554 -0.006 0.000 2.902 582 T HA 0.211 4.560 4.350 -0.000 0.000 0.301 582 T C -0.111 174.586 174.700 -0.004 0.000 1.012 582 T CA 0.268 62.364 62.100 -0.008 0.000 1.151 582 T CB 0.157 69.021 68.868 -0.006 0.000 0.946 582 T HN 0.329 nan 8.240 nan 0.000 0.542 583 M N 1.528 121.123 119.600 -0.008 0.000 2.619 583 M HA 0.363 4.842 4.480 -0.000 0.000 0.297 583 M C 1.354 177.643 176.300 -0.017 0.000 1.229 583 M CA -1.008 54.287 55.300 -0.008 0.000 0.860 583 M CB 2.320 34.919 32.600 -0.002 0.000 1.741 583 M HN 0.664 nan 8.290 nan 0.000 0.462 584 R N 0.683 121.172 120.500 -0.019 0.000 2.081 584 R HA -0.052 4.287 4.340 -0.000 0.000 0.235 584 R C -0.266 176.011 176.300 -0.037 0.000 1.131 584 R CA 1.118 57.204 56.100 -0.023 0.000 0.960 584 R CB -0.415 29.872 30.300 -0.022 0.000 0.856 584 R HN 0.648 nan 8.270 nan 0.000 0.436 585 Q N 1.579 121.347 119.800 -0.053 0.000 2.361 585 Q HA 0.082 4.422 4.340 -0.000 0.000 0.276 585 Q C -0.582 175.377 176.000 -0.069 0.000 1.022 585 Q CA -0.103 55.655 55.803 -0.076 0.000 0.898 585 Q CB 0.560 29.239 28.738 -0.098 0.000 1.246 585 Q HN 0.058 nan 8.270 nan 0.000 0.410 586 R N 1.158 121.618 120.500 -0.066 0.000 2.641 586 R HA 0.069 4.408 4.340 -0.000 0.000 0.269 586 R C 0.630 176.887 176.300 -0.072 0.000 1.074 586 R CA -0.225 55.846 56.100 -0.048 0.000 1.133 586 R CB 0.051 30.331 30.300 -0.033 0.000 1.029 586 R HN 0.585 nan 8.270 nan 0.000 0.488 587 L N 2.112 123.305 121.223 -0.051 0.000 2.046 587 L HA -0.203 4.136 4.340 -0.000 0.000 0.208 587 L C 1.977 178.808 176.870 -0.065 0.000 1.077 587 L CA 1.656 56.460 54.840 -0.060 0.000 0.747 587 L CB -0.655 41.393 42.059 -0.017 0.000 0.896 587 L HN 0.568 nan 8.230 nan 0.000 0.432 588 K N -0.625 119.747 120.400 -0.047 0.000 2.217 588 K HA -0.051 4.269 4.320 -0.000 0.000 0.202 588 K C 1.560 178.121 176.600 -0.066 0.000 1.051 588 K CA 0.918 57.173 56.287 -0.053 0.000 0.952 588 K CB -0.807 31.648 32.500 -0.074 0.000 0.736 588 K HN 0.280 nan 8.250 nan 0.000 0.453 589 N N 1.543 120.195 118.700 -0.080 0.000 2.084 589 N HA -0.099 4.641 4.740 -0.000 0.000 0.190 589 N C 1.897 177.330 175.510 -0.128 0.000 1.030 589 N CA 1.373 54.368 53.050 -0.091 0.000 0.849 589 N CB -0.731 37.696 38.487 -0.101 0.000 1.012 589 N HN 0.209 nan 8.380 nan 0.000 0.423 590 C N -0.108 119.064 119.300 -0.213 0.000 2.429 590 C HA -0.077 4.383 4.460 -0.000 0.000 0.277 590 C C 3.054 177.900 174.990 -0.240 0.000 1.262 590 C CA 0.090 58.849 59.018 -0.433 0.000 1.733 590 C CB -1.188 26.098 27.740 -0.757 0.000 2.010 590 C HN 0.599 nan 8.230 nan 0.000 0.483 591 C N 0.456 119.696 119.300 -0.101 0.000 2.413 591 C HA -0.135 4.324 4.460 -0.000 0.000 0.276 591 C C 2.609 177.637 174.990 0.064 0.000 1.236 591 C CA 1.564 60.604 59.018 0.036 0.000 1.735 591 C CB -1.610 26.175 27.740 0.074 0.000 2.031 591 C HN 0.620 nan 8.230 nan 0.000 0.474 592 L N 0.880 122.118 121.223 0.024 0.000 2.079 592 L HA -0.056 4.284 4.340 -0.000 0.000 0.210 592 L C 2.138 179.035 176.870 0.046 0.000 1.081 592 L CA 1.951 56.815 54.840 0.039 0.000 0.752 592 L CB -0.881 41.182 42.059 0.008 0.000 0.896 592 L HN 0.528 nan 8.230 nan 0.000 0.433 593 I N -1.080 119.503 120.570 0.023 0.000 2.286 593 I HA -0.221 3.948 4.170 -0.000 0.000 0.245 593 I C 2.332 178.503 176.117 0.091 0.000 1.104 593 I CA 1.230 62.554 61.300 0.041 0.000 1.397 593 I CB -0.178 37.835 38.000 0.022 0.000 1.072 593 I HN 0.339 nan 8.210 nan 0.000 0.417 594 A N 0.159 123.068 122.820 0.148 0.000 1.902 594 A HA -0.265 4.055 4.320 -0.000 0.000 0.217 594 A C 2.395 180.063 177.584 0.140 0.000 1.181 594 A CA 2.403 54.541 52.037 0.169 0.000 0.623 594 A CB -1.331 17.814 19.000 0.241 0.000 0.818 594 A HN 0.562 nan 8.150 nan 0.000 0.443 595 T N -2.073 112.570 114.554 0.149 0.000 2.881 595 T HA -0.198 4.152 4.350 -0.000 0.000 0.270 595 T C 1.982 176.754 174.700 0.120 0.000 1.068 595 T CA 1.756 63.946 62.100 0.151 0.000 1.131 595 T CB -0.323 68.647 68.868 0.169 0.000 0.871 595 T HN 0.434 nan 8.240 nan 0.000 0.479 596 Q N 0.536 120.394 119.800 0.096 0.000 2.079 596 Q HA 0.025 4.364 4.340 -0.000 0.000 0.200 596 Q C 2.428 178.474 176.000 0.077 0.000 0.974 596 Q CA 1.303 57.155 55.803 0.081 0.000 0.840 596 Q CB -0.440 28.332 28.738 0.057 0.000 0.898 596 Q HN 0.635 nan 8.270 nan 0.000 0.430 597 L N 0.343 121.601 121.223 0.059 0.000 2.083 597 L HA -0.170 4.170 4.340 -0.000 0.000 0.209 597 L C 2.482 179.392 176.870 0.068 0.000 1.083 597 L CA 0.717 55.572 54.840 0.025 0.000 0.752 597 L CB -0.389 41.664 42.059 -0.010 0.000 0.899 597 L HN 0.202 nan 8.230 nan 0.000 0.433 598 L N -0.317 120.975 121.223 0.114 0.000 2.362 598 L HA -0.047 4.292 4.340 -0.000 0.000 0.219 598 L C 1.482 178.469 176.870 0.194 0.000 1.134 598 L CA 0.821 55.768 54.840 0.177 0.000 0.807 598 L CB -0.568 41.567 42.059 0.127 0.000 0.927 598 L HN 0.564 nan 8.230 nan 0.000 0.447 599 G N 0.168 109.063 108.800 0.158 0.000 2.132 599 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.234 599 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.234 599 G C 0.040 175.006 174.900 0.109 0.000 0.989 599 G CA -0.247 44.941 45.100 0.146 0.000 0.676 599 G HN 0.206 nan 8.290 nan 0.000 0.522 600 L N 1.382 122.670 121.223 0.108 0.000 2.357 600 L HA 0.647 4.987 4.340 -0.000 0.000 0.273 600 L C 1.444 178.373 176.870 0.099 0.000 1.080 600 L CA -0.332 54.566 54.840 0.097 0.000 0.803 600 L CB 1.377 43.504 42.059 0.114 0.000 1.174 600 L HN 0.365 nan 8.230 nan 0.000 0.443 601 T N -1.261 113.343 114.554 0.083 0.000 2.824 601 T HA 0.402 4.751 4.350 -0.000 0.000 0.277 601 T C 1.103 175.862 174.700 0.098 0.000 0.975 601 T CA -0.130 62.019 62.100 0.082 0.000 0.966 601 T CB 1.493 70.392 68.868 0.051 0.000 1.054 601 T HN 0.622 nan 8.240 nan 0.000 0.533 602 A N 0.776 123.668 122.820 0.121 0.000 1.902 602 A HA 0.127 4.446 4.320 -0.000 0.000 0.217 602 A C -0.213 177.422 177.584 0.085 0.000 1.181 602 A CA 1.049 53.206 52.037 0.199 0.000 0.623 602 A CB -1.934 17.287 19.000 0.368 0.000 0.818 602 A HN 0.719 nan 8.150 nan 0.000 0.443 603 P HA -0.115 nan 4.420 nan 0.000 0.217 603 P C 1.167 178.437 177.300 -0.050 0.000 1.150 603 P CA 1.367 64.258 63.100 -0.349 0.000 0.832 603 P CB -0.012 31.451 31.700 -0.396 0.000 0.787 604 E N -0.952 119.246 120.200 -0.004 0.000 2.072 604 E HA -0.165 4.185 4.350 -0.000 0.000 0.191 604 E C 1.987 178.624 176.600 0.062 0.000 0.985 604 E CA 0.977 57.389 56.400 0.021 0.000 0.801 604 E CB -0.527 29.191 29.700 0.029 0.000 0.750 604 E HN 0.197 nan 8.360 nan 0.000 0.452 605 M N 0.749 120.424 119.600 0.125 0.000 2.108 605 M HA -0.184 4.295 4.480 -0.000 0.000 0.261 605 M C 1.913 178.311 176.300 0.163 0.000 1.066 605 M CA 1.633 57.044 55.300 0.185 0.000 1.107 605 M CB -0.141 32.624 32.600 0.276 0.000 1.356 605 M HN 0.016 nan 8.290 nan 0.000 0.406 606 T N 0.857 115.548 114.554 0.228 0.000 2.674 606 T HA -0.134 4.216 4.350 -0.000 0.000 0.265 606 T C 1.775 176.533 174.700 0.096 0.000 1.039 606 T CA 2.076 64.282 62.100 0.177 0.000 1.150 606 T CB -0.884 68.215 68.868 0.385 0.000 0.864 606 T HN 0.547 nan 8.240 nan 0.000 0.427 607 V N 0.215 120.150 119.914 0.035 0.000 2.407 607 V HA -0.064 4.055 4.120 -0.000 0.000 0.248 607 V C 2.368 178.635 176.094 0.289 0.000 1.055 607 V CA 1.105 63.484 62.300 0.130 0.000 1.049 607 V CB -1.159 30.591 31.823 -0.122 0.000 0.662 607 V HN 0.182 nan 8.190 nan 0.000 0.455 608 L N -0.024 121.273 121.223 0.124 0.000 1.989 608 L HA -0.094 4.246 4.340 -0.000 0.000 0.211 608 L C 2.631 179.482 176.870 -0.032 0.000 1.071 608 L CA 1.909 56.816 54.840 0.113 0.000 0.749 608 L CB -1.079 40.976 42.059 -0.008 0.000 0.890 608 L HN 0.279 nan 8.230 nan 0.000 0.431 609 I N -0.752 119.667 120.570 -0.251 0.000 2.163 609 I HA -0.230 3.939 4.170 -0.000 0.000 0.243 609 I C 2.491 178.104 176.117 -0.841 0.000 1.085 609 I CA 1.564 62.524 61.300 -0.567 0.000 1.347 609 I CB -1.586 35.892 38.000 -0.870 0.000 1.044 609 I HN 0.319 nan 8.210 nan 0.000 0.408 610 G N 0.556 108.880 108.800 -0.793 0.000 2.422 610 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.218 610 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.218 610 G C 1.693 176.270 174.900 -0.537 0.000 1.146 610 G CA 0.893 45.351 45.100 -1.070 0.000 0.769 610 G HN 0.491 nan 8.290 nan 0.000 0.547 611 G N 0.905 109.607 108.800 -0.163 0.000 2.404 611 G HA2 -0.084 3.876 3.960 -0.000 0.000 0.214 611 G HA3 -0.084 3.876 3.960 -0.000 0.000 0.214 611 G C 1.791 176.403 174.900 -0.480 0.000 1.189 611 G CA 0.597 45.436 45.100 -0.435 0.000 0.789 611 G HN 0.389 nan 8.290 nan 0.000 0.533 612 L N 0.099 121.152 121.223 -0.283 0.000 2.127 612 L HA -0.096 4.244 4.340 -0.000 0.000 0.211 612 L C 3.181 179.852 176.870 -0.331 0.000 1.089 612 L CA 0.801 55.475 54.840 -0.277 0.000 0.757 612 L CB -0.317 41.559 42.059 -0.305 0.000 0.899 612 L HN 0.070 nan 8.230 nan 0.000 0.434 613 R N 0.064 120.301 120.500 -0.439 0.000 2.066 613 R HA -0.106 4.234 4.340 -0.000 0.000 0.232 613 R C 2.229 178.326 176.300 -0.337 0.000 1.131 613 R CA 1.796 57.634 56.100 -0.437 0.000 0.955 613 R CB -0.937 28.972 30.300 -0.651 0.000 0.851 613 R HN 0.452 nan 8.270 nan 0.000 0.432 614 V N -1.221 118.494 119.914 -0.333 0.000 3.141 614 V HA -0.004 4.116 4.120 -0.000 0.000 0.265 614 V C 2.003 177.973 176.094 -0.208 0.000 1.126 614 V CA 1.118 63.273 62.300 -0.241 0.000 1.141 614 V CB -0.659 31.036 31.823 -0.212 0.000 0.743 614 V HN 0.094 nan 8.190 nan 0.000 0.492 615 L N 1.593 122.672 121.223 -0.241 0.000 2.554 615 L HA 0.393 4.733 4.340 -0.000 0.000 0.226 615 L C 1.638 178.419 176.870 -0.147 0.000 1.137 615 L CA 0.691 55.409 54.840 -0.203 0.000 0.863 615 L CB -0.870 41.044 42.059 -0.242 0.000 0.985 615 L HN 0.624 nan 8.230 nan 0.000 0.451 616 G N 1.242 109.952 108.800 -0.149 0.000 2.385 616 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.294 616 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.294 616 G C 0.553 175.400 174.900 -0.090 0.000 1.070 616 G CA 0.491 45.524 45.100 -0.111 0.000 1.172 616 G HN 0.408 nan 8.290 nan 0.000 0.516 617 T N -2.807 111.685 114.554 -0.104 0.000 3.084 617 T HA 0.259 4.609 4.350 -0.000 0.000 0.270 617 T C 0.679 175.357 174.700 -0.036 0.000 1.008 617 T CA 0.232 62.293 62.100 -0.065 0.000 0.900 617 T CB 0.147 68.965 68.868 -0.083 0.000 1.084 617 T HN 0.575 nan 8.240 nan 0.000 0.538 618 N N 2.434 121.109 118.700 -0.041 0.000 2.395 618 N HA -0.022 4.717 4.740 -0.000 0.000 0.246 618 N C -0.193 175.368 175.510 0.086 0.000 1.246 618 N CA -0.354 52.708 53.050 0.018 0.000 0.879 618 N CB 0.274 38.770 38.487 0.014 0.000 1.098 618 N HN 0.322 nan 8.380 nan 0.000 0.444 619 H N 1.084 120.177 119.070 0.038 0.000 2.886 619 H HA 0.060 4.615 4.556 -0.000 0.000 0.329 619 H C 1.169 176.528 175.328 0.052 0.000 1.044 619 H CA 1.338 57.421 56.048 0.059 0.000 1.456 619 H CB 0.341 30.148 29.762 0.076 0.000 1.464 619 H HN 0.885 nan 8.280 nan 0.000 0.573 620 G N 3.074 111.882 108.800 0.012 0.000 2.162 620 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.260 620 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.260 620 G C 1.133 176.063 174.900 0.050 0.000 0.976 620 G CA 0.738 45.897 45.100 0.098 0.000 0.655 620 G HN 1.617 nan 8.290 nan 0.000 0.533 621 G N -1.272 107.539 108.800 0.018 0.000 2.203 621 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.263 621 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.263 621 G C 0.580 175.471 174.900 -0.016 0.000 1.012 621 G CA 1.457 46.554 45.100 -0.005 0.000 0.749 621 G HN 1.791 nan 8.290 nan 0.000 0.512 622 T N -0.434 114.119 114.554 -0.002 0.000 2.898 622 T HA 0.444 4.794 4.350 -0.000 0.000 0.301 622 T C 1.335 175.946 174.700 -0.149 0.000 1.049 622 T CA 0.053 62.104 62.100 -0.081 0.000 1.095 622 T CB 0.389 69.265 68.868 0.014 0.000 0.976 622 T HN 0.101 nan 8.240 nan 0.000 0.539 623 K N 2.684 122.927 120.400 -0.262 0.000 2.397 623 K HA 0.084 4.404 4.320 -0.000 0.000 0.202 623 K C 1.600 178.086 176.600 -0.190 0.000 1.022 623 K CA -0.025 56.158 56.287 -0.174 0.000 1.141 623 K CB -0.101 32.349 32.500 -0.083 0.000 0.857 623 K HN 0.615 nan 8.250 nan 0.000 0.514 624 H N 0.285 119.348 119.070 -0.011 0.000 2.362 624 H HA -0.122 4.434 4.556 -0.000 0.000 0.294 624 H C 0.554 175.802 175.328 -0.133 0.000 1.113 624 H CA 1.239 57.275 56.048 -0.020 0.000 1.253 624 H CB 0.271 30.027 29.762 -0.010 0.000 1.363 624 H HN -0.155 nan 8.280 nan 0.000 0.494 625 V N 1.497 121.285 119.914 -0.210 0.000 2.562 625 V HA 0.049 4.169 4.120 -0.000 0.000 0.274 625 V C 1.118 176.758 176.094 -0.756 0.000 1.075 625 V CA -0.018 61.880 62.300 -0.669 0.000 1.204 625 V CB 1.042 32.375 31.823 -0.816 0.000 1.478 625 V HN 0.027 nan 8.190 nan 0.000 0.622 626 V N 0.580 120.247 119.914 -0.412 0.000 2.302 626 V HA 0.001 4.121 4.120 -0.000 0.000 0.243 626 V C 1.439 177.319 176.094 -0.356 0.000 1.036 626 V CA 1.637 63.749 62.300 -0.313 0.000 1.020 626 V CB -0.645 31.097 31.823 -0.134 0.000 0.657 626 V HN 0.761 nan 8.190 nan 0.000 0.453 627 F N 0.779 120.246 119.950 -0.807 0.000 3.067 627 F HA -0.224 4.302 4.527 -0.000 0.000 0.279 627 F C 0.286 175.778 175.800 -0.513 0.000 0.945 627 F CA 0.197 57.347 58.000 -1.416 0.000 0.948 627 F CB -2.252 35.974 39.000 -1.290 0.000 0.898 627 F HN 0.380 nan 8.300 nan 0.000 0.746 628 T N -2.922 111.664 114.554 0.053 0.000 2.894 628 T HA 0.271 4.621 4.350 -0.000 0.000 0.309 628 T C -0.011 174.798 174.700 0.181 0.000 1.208 628 T CA -0.846 61.310 62.100 0.093 0.000 1.016 628 T CB 2.342 71.211 68.868 0.003 0.000 1.192 628 T HN -0.101 nan 8.240 nan 0.000 0.491 629 D N 0.890 121.377 120.400 0.144 0.000 2.369 629 D HA 0.098 4.737 4.640 -0.000 0.000 0.211 629 D C 0.560 176.897 176.300 0.062 0.000 1.077 629 D CA 0.123 54.194 54.000 0.117 0.000 0.842 629 D CB 0.423 41.285 40.800 0.103 0.000 0.947 629 D HN 0.534 nan 8.370 nan 0.000 0.509 630 R N 0.539 121.064 120.500 0.041 0.000 2.639 630 R HA 0.364 4.703 4.340 -0.000 0.000 0.273 630 R C -0.505 175.785 176.300 -0.018 0.000 1.732 630 R CA -0.514 55.592 56.100 0.010 0.000 1.586 630 R CB 0.649 30.954 30.300 0.008 0.000 1.263 630 R HN -0.156 nan 8.270 nan 0.000 0.615 631 E N 0.831 121.018 120.200 -0.023 0.000 2.413 631 E HA 0.181 4.530 4.350 -0.000 0.000 0.263 631 E C 0.739 177.304 176.600 -0.059 0.000 1.015 631 E CA 0.917 57.286 56.400 -0.053 0.000 0.916 631 E CB 0.742 30.413 29.700 -0.048 0.000 0.947 631 E HN 0.772 nan 8.360 nan 0.000 0.440 632 G N 1.375 110.124 108.800 -0.085 0.000 2.175 632 G HA2 -0.241 3.718 3.960 -0.000 0.000 0.244 632 G HA3 -0.241 3.718 3.960 -0.000 0.000 0.244 632 G C -0.072 174.778 174.900 -0.083 0.000 0.982 632 G CA -0.013 45.037 45.100 -0.084 0.000 0.641 632 G HN 0.381 nan 8.290 nan 0.000 0.527 633 V N 1.029 120.894 119.914 -0.082 0.000 2.444 633 V HA 0.598 4.718 4.120 -0.000 0.000 0.294 633 V C 0.217 176.262 176.094 -0.082 0.000 1.022 633 V CA -0.874 61.387 62.300 -0.066 0.000 0.850 633 V CB 1.743 33.544 31.823 -0.037 0.000 0.992 633 V HN 0.337 nan 8.190 nan 0.000 0.426 634 L N 6.710 127.881 121.223 -0.086 0.000 2.448 634 L HA 0.445 4.785 4.340 -0.000 0.000 0.278 634 L C 0.649 177.560 176.870 0.069 0.000 1.201 634 L CA 0.856 55.648 54.840 -0.079 0.000 1.036 634 L CB -0.102 41.861 42.059 -0.160 0.000 1.325 634 L HN 0.962 nan 8.230 nan 0.000 0.441 635 T N -0.254 114.338 114.554 0.064 0.000 2.926 635 T HA 0.420 4.770 4.350 -0.000 0.000 0.289 635 T C 0.569 175.183 174.700 -0.144 0.000 1.054 635 T CA -0.633 61.502 62.100 0.058 0.000 1.015 635 T CB 1.207 70.071 68.868 -0.007 0.000 1.167 635 T HN 0.470 nan 8.240 nan 0.000 0.526 636 N N -0.261 118.290 118.700 -0.248 0.000 2.389 636 N HA 0.087 4.826 4.740 -0.000 0.000 0.237 636 N C 0.087 175.466 175.510 -0.219 0.000 1.148 636 N CA -0.242 52.487 53.050 -0.535 0.000 0.854 636 N CB -0.173 38.160 38.487 -0.256 0.000 1.115 636 N HN 0.516 nan 8.380 nan 0.000 0.492 637 D N 0.426 120.713 120.400 -0.188 0.000 2.178 637 D HA -0.140 4.500 4.640 -0.000 0.000 0.201 637 D C 1.187 177.389 176.300 -0.163 0.000 0.980 637 D CA 0.649 54.579 54.000 -0.117 0.000 0.842 637 D CB -0.247 40.504 40.800 -0.082 0.000 0.948 637 D HN 0.355 nan 8.370 nan 0.000 0.472 638 F N 0.347 120.024 119.950 -0.455 0.000 2.095 638 F HA -0.212 4.315 4.527 -0.000 0.000 0.298 638 F C 1.913 177.472 175.800 -0.402 0.000 1.104 638 F CA 1.489 59.167 58.000 -0.536 0.000 1.232 638 F CB -0.505 37.930 39.000 -0.943 0.000 0.987 638 F HN -0.093 nan 8.300 nan 0.000 0.475 639 F N -0.553 119.352 119.950 -0.074 0.000 2.163 639 F HA -0.139 4.388 4.527 -0.000 0.000 0.297 639 F C 2.336 178.090 175.800 -0.078 0.000 1.094 639 F CA 1.034 58.988 58.000 -0.076 0.000 1.290 639 F CB -1.026 38.006 39.000 0.054 0.000 1.017 639 F HN -0.222 nan 8.300 nan 0.000 0.483 640 V N 0.484 120.452 119.914 0.090 0.000 2.343 640 V HA -0.295 3.825 4.120 -0.000 0.000 0.247 640 V C 2.010 178.119 176.094 0.026 0.000 1.051 640 V CA 1.970 64.309 62.300 0.066 0.000 1.036 640 V CB -0.569 31.285 31.823 0.052 0.000 0.654 640 V HN 0.381 nan 8.190 nan 0.000 0.451 641 N N -0.230 118.415 118.700 -0.091 0.000 2.333 641 N HA -0.040 4.699 4.740 -0.000 0.000 0.178 641 N C 1.676 177.043 175.510 -0.239 0.000 1.018 641 N CA 0.916 53.859 53.050 -0.178 0.000 0.882 641 N CB -0.190 37.962 38.487 -0.557 0.000 0.984 641 N HN 0.414 nan 8.380 nan 0.000 0.434 642 L N 0.769 121.818 121.223 -0.289 0.000 2.201 642 L HA 0.000 4.340 4.340 -0.000 0.000 0.212 642 L C 1.868 178.848 176.870 0.182 0.000 1.105 642 L CA 1.552 56.306 54.840 -0.142 0.000 0.775 642 L CB -0.651 41.191 42.059 -0.362 0.000 0.913 642 L HN -0.026 nan 8.230 nan 0.000 0.440 643 T N -1.549 113.076 114.554 0.118 0.000 3.107 643 T HA 0.015 4.365 4.350 -0.000 0.000 0.249 643 T C 0.126 174.890 174.700 0.107 0.000 1.096 643 T CA -0.169 62.011 62.100 0.134 0.000 1.012 643 T CB -0.458 68.488 68.868 0.130 0.000 0.977 643 T HN 0.312 nan 8.240 nan 0.000 0.527 644 D N 1.502 121.993 120.400 0.150 0.000 2.339 644 D HA 0.116 4.756 4.640 -0.000 0.000 0.241 644 D C 1.096 177.483 176.300 0.144 0.000 1.183 644 D CA -0.322 53.776 54.000 0.164 0.000 0.859 644 D CB 0.717 41.684 40.800 0.277 0.000 1.067 644 D HN 0.044 nan 8.370 nan 0.000 0.484 645 M N 2.812 122.424 119.600 0.020 0.000 2.686 645 M HA -0.030 4.450 4.480 -0.000 0.000 0.246 645 M C 0.841 177.085 176.300 -0.092 0.000 1.096 645 M CA 0.258 55.526 55.300 -0.052 0.000 1.076 645 M CB -0.497 32.054 32.600 -0.082 0.000 1.504 645 M HN 0.364 nan 8.290 nan 0.000 0.524 646 N N 0.009 118.619 118.700 -0.150 0.000 2.550 646 N HA -0.039 4.700 4.740 -0.000 0.000 0.186 646 N C -0.399 174.832 175.510 -0.465 0.000 1.110 646 N CA 0.556 53.412 53.050 -0.324 0.000 0.912 646 N CB 0.103 38.332 38.487 -0.429 0.000 0.968 646 N HN 0.348 nan 8.380 nan 0.000 0.448 647 Y N 0.001 120.307 120.300 0.011 0.000 2.487 647 Y HA 0.457 5.007 4.550 -0.000 0.000 0.337 647 Y C 0.153 176.054 175.900 0.002 0.000 1.076 647 Y CA -1.450 56.684 58.100 0.057 0.000 1.115 647 Y CB 1.254 39.824 38.460 0.183 0.000 1.235 647 Y HN -0.205 nan 8.280 nan 0.000 0.468 648 L N -1.216 120.145 121.223 0.231 0.000 2.323 648 L HA 0.676 5.016 4.340 -0.000 0.000 0.265 648 L C -1.805 175.295 176.870 0.384 0.000 1.012 648 L CA -1.625 53.268 54.840 0.088 0.000 0.820 648 L CB 1.051 43.139 42.059 0.050 0.000 1.334 648 L HN 0.411 nan 8.230 nan 0.000 0.427 649 W N 1.287 122.648 121.300 0.102 0.000 2.329 649 W HA 0.622 5.282 4.660 -0.000 0.000 0.312 649 W C -0.489 176.138 176.519 0.180 0.000 1.054 649 W CA -1.055 56.373 57.345 0.139 0.000 1.245 649 W CB 1.006 30.517 29.460 0.086 0.000 1.255 649 W HN 0.504 nan 8.180 nan 0.000 0.436 650 K N 4.104 124.744 120.400 0.400 0.000 2.293 650 K HA 0.370 4.690 4.320 -0.000 0.000 0.267 650 K C -2.310 174.432 176.600 0.237 0.000 1.010 650 K CA -1.708 54.739 56.287 0.267 0.000 0.875 650 K CB 1.744 34.345 32.500 0.168 0.000 1.106 650 K HN -0.044 nan 8.250 nan 0.000 0.450 651 P HA -0.072 nan 4.420 nan 0.000 0.265 651 P C -0.928 176.278 177.300 -0.156 0.000 1.193 651 P CA 0.179 63.186 63.100 -0.156 0.000 0.765 651 P CB 0.669 32.334 31.700 -0.059 0.000 0.823 652 A N 3.005 125.656 122.820 -0.282 0.000 3.365 652 A HA 0.638 4.958 4.320 -0.000 0.000 0.258 652 A C 0.433 177.929 177.584 -0.146 0.000 0.964 652 A CA 0.197 52.154 52.037 -0.134 0.000 0.988 652 A CB -0.430 18.541 19.000 -0.049 0.000 1.193 652 A HN 0.778 nan 8.150 nan 0.000 0.508 653 G N 0.448 109.155 108.800 -0.155 0.000 2.500 653 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.209 653 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.209 653 G C -0.450 174.361 174.900 -0.149 0.000 1.283 653 G CA -0.690 44.340 45.100 -0.118 0.000 0.960 653 G HN 0.574 nan 8.290 nan 0.000 0.528 654 K N 1.341 121.680 120.400 -0.102 0.000 2.402 654 K HA 0.223 4.542 4.320 -0.000 0.000 0.285 654 K C 1.177 177.713 176.600 -0.107 0.000 1.054 654 K CA 0.670 56.904 56.287 -0.088 0.000 1.001 654 K CB 0.030 32.497 32.500 -0.055 0.000 0.946 654 K HN 0.820 nan 8.250 nan 0.000 0.473 655 N N 2.672 121.318 118.700 -0.089 0.000 2.710 655 N HA -0.228 4.511 4.740 -0.000 0.000 0.249 655 N C -1.323 174.144 175.510 -0.072 0.000 1.059 655 N CA 0.140 53.170 53.050 -0.033 0.000 0.720 655 N CB -0.240 38.229 38.487 -0.029 0.000 0.983 655 N HN 0.416 nan 8.380 nan 0.000 0.544 656 L N 1.259 122.351 121.223 -0.218 0.000 2.445 656 L HA 0.501 4.841 4.340 -0.000 0.000 0.262 656 L C -1.325 175.296 176.870 -0.414 0.000 0.974 656 L CA -0.678 54.050 54.840 -0.187 0.000 0.822 656 L CB 1.792 43.748 42.059 -0.173 0.000 1.339 656 L HN 0.023 nan 8.230 nan 0.000 0.409 657 Y N 0.626 120.934 120.300 0.013 0.000 2.581 657 Y HA 0.403 4.953 4.550 -0.001 0.000 0.345 657 Y C -0.394 175.555 175.900 0.081 0.000 1.036 657 Y CA -0.915 57.213 58.100 0.048 0.000 1.042 657 Y CB 1.955 40.428 38.460 0.021 0.000 1.289 657 Y HN 0.414 nan 8.280 nan 0.000 0.471 658 E N 2.183 122.528 120.200 0.241 0.000 2.133 658 E HA 0.421 4.770 4.350 -0.000 0.000 0.274 658 E C -1.111 175.624 176.600 0.225 0.000 0.930 658 E CA -0.646 55.872 56.400 0.197 0.000 0.770 658 E CB 1.125 30.911 29.700 0.143 0.000 1.104 658 E HN 0.293 nan 8.360 nan 0.000 0.403 659 I N 4.158 124.842 120.570 0.191 0.000 2.281 659 I HA 0.145 4.314 4.170 -0.000 0.000 0.293 659 I C -0.194 176.026 176.117 0.171 0.000 1.085 659 I CA -0.704 60.709 61.300 0.189 0.000 1.257 659 I CB -0.436 37.602 38.000 0.063 0.000 1.430 659 I HN 0.544 nan 8.210 nan 0.000 0.489 660 C N 4.409 123.873 119.300 0.274 0.000 2.391 660 C HA 0.326 4.786 4.460 -0.000 0.000 0.339 660 C C 0.726 175.925 174.990 0.349 0.000 1.205 660 C CA -0.938 58.219 59.018 0.232 0.000 1.937 660 C CB 1.673 29.507 27.740 0.157 0.000 2.341 660 C HN 0.646 nan 8.230 nan 0.000 0.516 661 D N 0.795 121.329 120.400 0.224 0.000 2.348 661 D HA 0.096 4.736 4.640 -0.000 0.000 0.253 661 D C 0.985 177.271 176.300 -0.023 0.000 1.161 661 D CA 0.018 54.043 54.000 0.042 0.000 0.876 661 D CB 0.677 41.470 40.800 -0.012 0.000 1.160 661 D HN 0.494 nan 8.370 nan 0.000 0.459 662 R N 2.809 123.252 120.500 -0.095 0.000 2.115 662 R HA -0.137 4.203 4.340 -0.000 0.000 0.230 662 R C 1.589 177.850 176.300 -0.065 0.000 1.111 662 R CA 1.148 57.208 56.100 -0.066 0.000 0.976 662 R CB 0.275 30.521 30.300 -0.091 0.000 0.870 662 R HN 0.308 nan 8.270 nan 0.000 0.445 663 K N -0.415 119.932 120.400 -0.089 0.000 2.005 663 K HA -0.045 4.275 4.320 -0.000 0.000 0.206 663 K C 2.124 178.695 176.600 -0.048 0.000 1.044 663 K CA 1.881 58.126 56.287 -0.069 0.000 0.942 663 K CB -0.490 31.961 32.500 -0.081 0.000 0.727 663 K HN 0.217 nan 8.250 nan 0.000 0.439 664 T N -1.146 113.379 114.554 -0.048 0.000 3.088 664 T HA 0.023 4.373 4.350 -0.000 0.000 0.259 664 T C 0.210 174.899 174.700 -0.017 0.000 1.122 664 T CA 0.086 62.167 62.100 -0.032 0.000 1.095 664 T CB -0.343 68.504 68.868 -0.035 0.000 0.930 664 T HN 0.150 nan 8.240 nan 0.000 0.508 665 N N 1.398 120.092 118.700 -0.010 0.000 2.725 665 N HA -0.153 4.587 4.740 -0.000 0.000 0.249 665 N C -0.588 174.931 175.510 0.015 0.000 1.103 665 N CA 0.800 53.856 53.050 0.009 0.000 0.707 665 N CB -1.410 37.081 38.487 0.006 0.000 1.043 665 N HN 0.705 nan 8.380 nan 0.000 0.553 666 Q N -0.404 119.402 119.800 0.009 0.000 2.248 666 Q HA 0.583 4.923 4.340 -0.000 0.000 0.263 666 Q C -0.009 175.994 176.000 0.006 0.000 1.007 666 Q CA -0.800 55.003 55.803 0.001 0.000 0.877 666 Q CB 2.025 30.751 28.738 -0.021 0.000 1.315 666 Q HN 0.000 nan 8.270 nan 0.000 0.454 667 V N 2.880 122.793 119.914 -0.003 0.000 2.405 667 V HA -0.003 4.117 4.120 -0.000 0.000 0.264 667 V C 0.751 176.789 176.094 -0.094 0.000 1.048 667 V CA 0.260 62.556 62.300 -0.006 0.000 0.966 667 V CB 0.830 32.667 31.823 0.022 0.000 1.015 667 V HN 0.695 nan 8.190 nan 0.000 0.477 668 K N 4.925 125.208 120.400 -0.195 0.000 2.168 668 K HA 0.143 4.463 4.320 -0.000 0.000 0.201 668 K C 0.127 176.360 176.600 -0.612 0.000 1.049 668 K CA 0.965 56.921 56.287 -0.551 0.000 0.974 668 K CB 0.410 32.352 32.500 -0.931 0.000 0.792 668 K HN 0.593 nan 8.250 nan 0.000 0.463 669 W N -0.397 120.861 121.300 -0.069 0.000 3.018 669 W HA 0.337 4.996 4.660 -0.001 0.000 0.352 669 W C -0.605 175.960 176.519 0.077 0.000 1.230 669 W CA -0.568 56.785 57.345 0.013 0.000 1.162 669 W CB 0.491 29.975 29.460 0.040 0.000 1.483 669 W HN -0.058 nan 8.180 nan 0.000 0.584 670 T N -0.813 114.001 114.554 0.434 0.000 2.926 670 T HA 0.924 5.274 4.350 -0.000 0.000 0.289 670 T C -0.657 174.287 174.700 0.407 0.000 1.054 670 T CA -0.660 61.660 62.100 0.366 0.000 1.015 670 T CB 2.427 71.525 68.868 0.384 0.000 1.167 670 T HN 0.849 nan 8.240 nan 0.000 0.526 671 A N 0.734 123.753 122.820 0.333 0.000 2.586 671 A HA 0.810 5.130 4.320 -0.000 0.000 0.291 671 A C -0.052 177.640 177.584 0.181 0.000 1.062 671 A CA -0.498 51.663 52.037 0.206 0.000 0.666 671 A CB 0.906 19.994 19.000 0.148 0.000 1.281 671 A HN 1.490 nan 8.150 nan 0.000 0.421 672 T N -1.633 112.976 114.554 0.091 0.000 2.922 672 T HA 0.554 4.903 4.350 -0.000 0.000 0.281 672 T C 0.950 175.705 174.700 0.092 0.000 1.005 672 T CA -0.426 61.742 62.100 0.113 0.000 0.982 672 T CB 1.098 69.975 68.868 0.015 0.000 1.158 672 T HN 0.624 nan 8.240 nan 0.000 0.566 673 R N -0.316 120.268 120.500 0.140 0.000 2.115 673 R HA 0.010 4.350 4.340 -0.000 0.000 0.230 673 R C 2.285 178.597 176.300 0.020 0.000 1.111 673 R CA 0.941 57.072 56.100 0.051 0.000 0.976 673 R CB -0.860 29.505 30.300 0.108 0.000 0.870 673 R HN 0.472 nan 8.270 nan 0.000 0.445 674 V N 1.656 121.604 119.914 0.056 0.000 2.407 674 V HA -0.246 3.874 4.120 -0.000 0.000 0.248 674 V C 1.596 177.833 176.094 0.239 0.000 1.055 674 V CA 1.874 64.241 62.300 0.113 0.000 1.049 674 V CB -0.379 31.501 31.823 0.095 0.000 0.662 674 V HN 0.303 nan 8.190 nan 0.000 0.455 675 D N 0.131 120.619 120.400 0.148 0.000 2.091 675 D HA -0.057 4.583 4.640 -0.000 0.000 0.199 675 D C 2.125 178.584 176.300 0.264 0.000 0.980 675 D CA 1.109 55.248 54.000 0.232 0.000 0.831 675 D CB -0.132 40.693 40.800 0.042 0.000 0.987 675 D HN 0.332 nan 8.370 nan 0.000 0.460 676 L N 0.983 122.176 121.223 -0.051 0.000 2.376 676 L HA -0.040 4.300 4.340 -0.000 0.000 0.219 676 L C 2.499 179.365 176.870 -0.007 0.000 1.133 676 L CA 0.162 54.860 54.840 -0.238 0.000 0.816 676 L CB -0.200 41.480 42.059 -0.631 0.000 0.933 676 L HN -0.079 nan 8.230 nan 0.000 0.449 677 V N -0.213 119.699 119.914 -0.004 0.000 2.594 677 V HA -0.252 3.868 4.120 -0.000 0.000 0.253 677 V C 2.043 178.068 176.094 -0.116 0.000 1.069 677 V CA 1.629 63.874 62.300 -0.092 0.000 1.082 677 V CB -0.387 31.311 31.823 -0.208 0.000 0.680 677 V HN 0.283 nan 8.190 nan 0.000 0.469 678 F N 0.669 120.723 119.950 0.172 0.000 2.699 678 F HA 0.185 4.712 4.527 -0.000 0.000 0.298 678 F C 1.995 177.949 175.800 0.258 0.000 1.154 678 F CA 1.042 59.200 58.000 0.263 0.000 1.457 678 F CB -0.193 39.064 39.000 0.429 0.000 1.106 678 F HN 0.309 nan 8.300 nan 0.000 0.585 679 G N -2.131 106.886 108.800 0.363 0.000 3.596 679 G HA2 0.124 4.084 3.960 -0.000 0.000 0.274 679 G HA3 0.124 4.084 3.960 -0.000 0.000 0.274 679 G C 1.047 176.138 174.900 0.319 0.000 1.007 679 G CA 0.605 45.950 45.100 0.408 0.000 0.825 679 G HN 0.271 nan 8.290 nan 0.000 0.508 680 S N -0.082 115.733 115.700 0.192 0.000 3.039 680 S HA 0.134 4.604 4.470 -0.000 0.000 0.251 680 S C 0.742 175.339 174.600 -0.004 0.000 1.064 680 S CA -0.253 58.004 58.200 0.094 0.000 0.822 680 S CB -0.258 63.004 63.200 0.105 0.000 0.802 680 S HN 0.223 nan 8.310 nan 0.000 0.519 681 N N 2.235 120.916 118.700 -0.032 0.000 2.447 681 N HA 0.001 4.740 4.740 -0.000 0.000 0.263 681 N C 1.237 176.701 175.510 -0.077 0.000 1.226 681 N CA 0.842 53.846 53.050 -0.077 0.000 0.906 681 N CB 1.394 39.815 38.487 -0.110 0.000 1.060 681 N HN 0.538 nan 8.380 nan 0.000 0.468 682 S N 4.551 120.186 115.700 -0.109 0.000 2.382 682 S HA -0.145 4.325 4.470 -0.000 0.000 0.228 682 S C 2.002 176.516 174.600 -0.144 0.000 1.027 682 S CA 0.753 58.882 58.200 -0.118 0.000 0.991 682 S CB -0.244 62.871 63.200 -0.142 0.000 0.823 682 S HN 0.673 nan 8.310 nan 0.000 0.469 683 I N 1.339 121.809 120.570 -0.168 0.000 2.233 683 I HA -0.070 4.100 4.170 -0.000 0.000 0.243 683 I C 2.410 178.290 176.117 -0.395 0.000 1.093 683 I CA 0.993 62.117 61.300 -0.293 0.000 1.380 683 I CB -0.381 37.487 38.000 -0.221 0.000 1.067 683 I HN 0.250 nan 8.210 nan 0.000 0.413 684 L N 0.268 121.399 121.223 -0.152 0.000 2.093 684 L HA -0.176 4.163 4.340 -0.000 0.000 0.208 684 L C 2.729 179.690 176.870 0.151 0.000 1.085 684 L CA 1.203 56.080 54.840 0.061 0.000 0.755 684 L CB -0.591 41.475 42.059 0.011 0.000 0.904 684 L HN 0.229 nan 8.230 nan 0.000 0.435 685 R N 0.333 120.872 120.500 0.066 0.000 2.115 685 R HA -0.118 4.221 4.340 -0.000 0.000 0.230 685 R C 2.339 178.675 176.300 0.060 0.000 1.111 685 R CA 1.113 57.283 56.100 0.118 0.000 0.976 685 R CB -0.110 30.233 30.300 0.072 0.000 0.870 685 R HN 0.331 nan 8.270 nan 0.000 0.445 686 A N 0.011 122.791 122.820 -0.066 0.000 1.933 686 A HA -0.169 4.150 4.320 -0.000 0.000 0.218 686 A C 1.845 179.434 177.584 0.009 0.000 1.175 686 A CA 1.105 53.087 52.037 -0.091 0.000 0.628 686 A CB -0.729 18.142 19.000 -0.215 0.000 0.814 686 A HN 0.501 nan 8.150 nan 0.000 0.444 687 Y N 0.003 120.345 120.300 0.071 0.000 2.200 687 Y HA -0.173 4.376 4.550 -0.000 0.000 0.290 687 Y C 3.106 179.027 175.900 0.034 0.000 1.137 687 Y CA 0.772 58.914 58.100 0.070 0.000 1.163 687 Y CB -0.179 38.399 38.460 0.197 0.000 0.988 687 Y HN 0.288 nan 8.280 nan 0.000 0.518 688 S N 0.172 116.036 115.700 0.273 0.000 2.370 688 S HA -0.222 4.247 4.470 -0.000 0.000 0.226 688 S C 1.696 176.351 174.600 0.092 0.000 1.033 688 S CA 1.566 59.870 58.200 0.174 0.000 1.011 688 S CB -0.327 63.157 63.200 0.473 0.000 0.852 688 S HN 0.479 nan 8.310 nan 0.000 0.457 689 E N 0.548 120.806 120.200 0.096 0.000 2.077 689 E HA -0.160 4.189 4.350 -0.000 0.000 0.193 689 E C 2.099 178.694 176.600 -0.009 0.000 0.989 689 E CA 1.002 57.434 56.400 0.053 0.000 0.800 689 E CB -0.261 29.458 29.700 0.032 0.000 0.746 689 E HN 0.268 nan 8.360 nan 0.000 0.452 690 L N 0.144 121.324 121.223 -0.073 0.000 1.990 690 L HA -0.231 4.109 4.340 -0.000 0.000 0.213 690 L C 1.869 178.581 176.870 -0.264 0.000 1.072 690 L CA 1.804 56.525 54.840 -0.199 0.000 0.755 690 L CB -0.465 41.400 42.059 -0.323 0.000 0.889 690 L HN 0.175 nan 8.230 nan 0.000 0.432 691 Y N -1.086 119.128 120.300 -0.143 0.000 2.616 691 Y HA 0.042 4.591 4.550 -0.000 0.000 0.296 691 Y C 2.146 178.012 175.900 -0.056 0.000 1.154 691 Y CA 0.407 58.398 58.100 -0.181 0.000 1.325 691 Y CB -0.304 37.796 38.460 -0.601 0.000 1.007 691 Y HN 0.328 nan 8.280 nan 0.000 0.542 692 A N -0.693 122.187 122.820 0.100 0.000 2.308 692 A HA 0.092 4.412 4.320 -0.000 0.000 0.217 692 A C 0.728 178.361 177.584 0.082 0.000 1.216 692 A CA -0.298 51.822 52.037 0.139 0.000 0.864 692 A CB -0.131 18.967 19.000 0.163 0.000 0.902 692 A HN 0.288 nan 8.150 nan 0.000 0.499 693 Q N 0.498 120.327 119.800 0.049 0.000 2.392 693 Q HA 0.056 4.396 4.340 -0.000 0.000 0.262 693 Q C -0.087 175.943 176.000 0.050 0.000 1.003 693 Q CA -0.300 55.523 55.803 0.033 0.000 0.888 693 Q CB 0.568 29.309 28.738 0.004 0.000 1.260 693 Q HN 0.287 nan 8.270 nan 0.000 0.435 694 D N 1.402 121.827 120.400 0.042 0.000 2.182 694 D HA -0.165 4.474 4.640 -0.000 0.000 0.201 694 D C 0.961 177.292 176.300 0.050 0.000 0.986 694 D CA 1.334 55.361 54.000 0.046 0.000 0.847 694 D CB -0.022 40.798 40.800 0.035 0.000 0.942 694 D HN 0.603 nan 8.370 nan 0.000 0.467 695 D N -0.971 119.454 120.400 0.043 0.000 2.328 695 D HA -0.035 4.605 4.640 -0.000 0.000 0.221 695 D C 0.428 176.764 176.300 0.060 0.000 1.072 695 D CA 0.072 54.099 54.000 0.045 0.000 0.850 695 D CB -0.299 40.519 40.800 0.029 0.000 0.922 695 D HN -0.046 nan 8.370 nan 0.000 0.516 696 N N 0.354 119.103 118.700 0.082 0.000 2.282 696 N HA 0.107 4.847 4.740 -0.000 0.000 0.240 696 N C 1.031 176.673 175.510 0.220 0.000 1.182 696 N CA -0.188 52.937 53.050 0.125 0.000 0.874 696 N CB 0.749 39.286 38.487 0.083 0.000 1.126 696 N HN 0.202 nan 8.380 nan 0.000 0.516 697 K N 0.943 121.454 120.400 0.185 0.000 2.032 697 K HA -0.078 4.242 4.320 -0.000 0.000 0.209 697 K C 1.288 178.041 176.600 0.255 0.000 1.048 697 K CA 1.173 57.597 56.287 0.228 0.000 0.927 697 K CB 0.204 32.794 32.500 0.150 0.000 0.712 697 K HN 0.291 nan 8.250 nan 0.000 0.441 698 E N 0.603 120.904 120.200 0.170 0.000 2.107 698 E HA -0.179 4.171 4.350 -0.000 0.000 0.191 698 E C 2.023 178.708 176.600 0.143 0.000 0.982 698 E CA 0.776 57.254 56.400 0.131 0.000 0.809 698 E CB 0.046 29.799 29.700 0.087 0.000 0.756 698 E HN 0.224 nan 8.360 nan 0.000 0.459 699 K N 0.754 121.261 120.400 0.179 0.000 2.097 699 K HA -0.186 4.134 4.320 -0.000 0.000 0.206 699 K C 2.066 178.843 176.600 0.296 0.000 1.049 699 K CA 1.044 57.451 56.287 0.201 0.000 0.933 699 K CB -0.185 32.428 32.500 0.188 0.000 0.717 699 K HN 0.041 nan 8.250 nan 0.000 0.442 700 F N 1.207 121.315 119.950 0.264 0.000 2.102 700 F HA -0.185 4.342 4.527 -0.000 0.000 0.298 700 F C 1.740 177.617 175.800 0.128 0.000 1.105 700 F CA 1.286 59.413 58.000 0.211 0.000 1.239 700 F CB -0.597 38.531 39.000 0.213 0.000 0.991 700 F HN -0.200 nan 8.300 nan 0.000 0.474 701 V N 1.564 121.327 119.914 -0.252 0.000 2.295 701 V HA -0.309 3.811 4.120 -0.000 0.000 0.246 701 V C 2.684 178.682 176.094 -0.159 0.000 1.049 701 V CA 2.377 64.483 62.300 -0.323 0.000 1.024 701 V CB -0.857 30.927 31.823 -0.066 0.000 0.648 701 V HN 0.424 nan 8.190 nan 0.000 0.447 702 R N 0.149 120.621 120.500 -0.047 0.000 2.091 702 R HA -0.206 4.133 4.340 -0.000 0.000 0.238 702 R C 1.909 178.197 176.300 -0.019 0.000 1.136 702 R CA 2.301 58.397 56.100 -0.006 0.000 0.959 702 R CB -0.404 29.915 30.300 0.032 0.000 0.856 702 R HN 0.479 nan 8.270 nan 0.000 0.437 703 D N -0.316 120.071 120.400 -0.021 0.000 2.149 703 D HA -0.131 4.509 4.640 -0.000 0.000 0.201 703 D C 1.479 177.715 176.300 -0.106 0.000 0.972 703 D CA 0.884 54.871 54.000 -0.021 0.000 0.835 703 D CB -0.260 40.589 40.800 0.081 0.000 0.966 703 D HN 0.232 nan 8.370 nan 0.000 0.476 704 F N 1.245 120.978 119.950 -0.360 0.000 2.102 704 F HA -0.190 4.336 4.527 -0.001 0.000 0.298 704 F C 2.129 177.859 175.800 -0.116 0.000 1.105 704 F CA 1.001 58.796 58.000 -0.341 0.000 1.239 704 F CB -0.352 38.248 39.000 -0.667 0.000 0.991 704 F HN -0.221 nan 8.300 nan 0.000 0.474 705 V N 0.701 120.561 119.914 -0.091 0.000 2.287 705 V HA -0.341 3.778 4.120 -0.000 0.000 0.248 705 V C 2.773 178.853 176.094 -0.023 0.000 1.053 705 V CA 1.988 64.267 62.300 -0.035 0.000 1.027 705 V CB -1.496 30.345 31.823 0.030 0.000 0.646 705 V HN 0.511 nan 8.190 nan 0.000 0.447 706 A N -0.350 122.447 122.820 -0.039 0.000 1.933 706 A HA -0.128 4.191 4.320 -0.000 0.000 0.218 706 A C 2.380 179.934 177.584 -0.050 0.000 1.175 706 A CA 2.164 54.187 52.037 -0.024 0.000 0.628 706 A CB -0.715 18.276 19.000 -0.016 0.000 0.814 706 A HN 0.596 nan 8.150 nan 0.000 0.444 707 A N -1.339 121.419 122.820 -0.103 0.000 1.897 707 A HA -0.132 4.187 4.320 -0.000 0.000 0.215 707 A C 2.090 179.615 177.584 -0.098 0.000 1.181 707 A CA 1.225 53.199 52.037 -0.105 0.000 0.620 707 A CB -0.864 18.054 19.000 -0.135 0.000 0.821 707 A HN 0.858 nan 8.150 nan 0.000 0.443 708 W N 1.349 122.416 121.300 -0.387 0.000 2.335 708 W HA -0.183 4.476 4.660 -0.001 0.000 0.311 708 W C 1.722 178.172 176.519 -0.115 0.000 1.213 708 W CA 2.367 59.540 57.345 -0.287 0.000 1.274 708 W CB -0.728 28.477 29.460 -0.424 0.000 1.148 708 W HN 0.365 nan 8.180 nan 0.000 0.498 709 T N 0.908 115.473 114.554 0.018 0.000 2.746 709 T HA -0.275 4.074 4.350 -0.000 0.000 0.267 709 T C 1.853 176.460 174.700 -0.154 0.000 1.039 709 T CA 2.145 64.218 62.100 -0.045 0.000 1.142 709 T CB -0.457 68.428 68.868 0.029 0.000 0.866 709 T HN 0.176 nan 8.240 nan 0.000 0.444 710 K N 0.755 121.078 120.400 -0.129 0.000 2.063 710 K HA -0.111 4.209 4.320 -0.000 0.000 0.208 710 K C 2.143 178.613 176.600 -0.217 0.000 1.048 710 K CA 1.197 57.396 56.287 -0.146 0.000 0.928 710 K CB -0.261 32.185 32.500 -0.089 0.000 0.713 710 K HN 0.168 nan 8.250 nan 0.000 0.442 711 V N 1.110 120.877 119.914 -0.245 0.000 2.379 711 V HA -0.227 3.893 4.120 -0.000 0.000 0.245 711 V C 2.357 178.194 176.094 -0.428 0.000 1.044 711 V CA 1.347 63.452 62.300 -0.324 0.000 1.036 711 V CB -0.335 31.296 31.823 -0.320 0.000 0.664 711 V HN 0.381 nan 8.190 nan 0.000 0.453 712 M N 0.298 119.610 119.600 -0.480 0.000 2.279 712 M HA -0.050 4.430 4.480 -0.000 0.000 0.264 712 M C 1.415 177.522 176.300 -0.321 0.000 1.062 712 M CA 1.265 56.319 55.300 -0.411 0.000 1.099 712 M CB -1.270 31.114 32.600 -0.361 0.000 1.394 712 M HN 0.376 nan 8.290 nan 0.000 0.426 713 N N -0.114 118.394 118.700 -0.320 0.000 2.230 713 N HA 0.238 4.978 4.740 -0.000 0.000 0.202 713 N C 1.416 176.663 175.510 -0.437 0.000 1.119 713 N CA 0.415 53.266 53.050 -0.331 0.000 0.851 713 N CB 0.292 38.618 38.487 -0.269 0.000 0.990 713 N HN 0.237 nan 8.380 nan 0.000 0.497 714 A N 1.613 124.120 122.820 -0.521 0.000 1.940 714 A HA -0.181 4.139 4.320 -0.000 0.000 0.219 714 A C 1.570 178.511 177.584 -1.071 0.000 1.176 714 A CA 1.792 53.372 52.037 -0.762 0.000 0.631 714 A CB -0.246 18.222 19.000 -0.887 0.000 0.814 714 A HN 0.304 nan 8.150 nan 0.000 0.446 715 D N -1.479 118.402 120.400 -0.864 0.000 2.328 715 D HA -0.001 4.639 4.640 -0.000 0.000 0.221 715 D C 0.409 176.389 176.300 -0.533 0.000 1.072 715 D CA -0.116 53.539 54.000 -0.575 0.000 0.850 715 D CB -0.284 40.459 40.800 -0.095 0.000 0.922 715 D HN 0.045 nan 8.370 nan 0.000 0.516 716 R N 0.860 120.989 120.500 -0.618 0.000 4.860 716 R HA 0.136 4.475 4.340 -0.000 0.000 0.191 716 R C 0.103 176.156 176.300 -0.412 0.000 1.936 716 R CA -0.306 55.550 56.100 -0.407 0.000 1.609 716 R CB -1.547 28.556 30.300 -0.330 0.000 1.392 716 R HN 0.290 nan 8.270 nan 0.000 0.844 717 F N 0.461 120.385 119.950 -0.044 0.000 2.661 717 F HA -0.095 4.431 4.527 -0.001 0.000 0.298 717 F C 1.863 177.652 175.800 -0.019 0.000 1.137 717 F CA 0.545 58.536 58.000 -0.015 0.000 1.454 717 F CB 0.086 39.102 39.000 0.026 0.000 1.103 717 F HN 0.227 nan 8.300 nan 0.000 0.577 718 D N 0.087 120.539 120.400 0.087 0.000 2.348 718 D HA -0.086 4.554 4.640 -0.000 0.000 0.216 718 D C 0.660 176.958 176.300 -0.003 0.000 0.970 718 D CA 0.639 54.663 54.000 0.039 0.000 0.889 718 D CB -0.170 40.636 40.800 0.011 0.000 0.912 718 D HN 0.102 nan 8.370 nan 0.000 0.524 719 L N 1.408 122.609 121.223 -0.036 0.000 2.379 719 L HA 0.289 4.628 4.340 -0.000 0.000 0.269 719 L C 0.601 177.452 176.870 -0.033 0.000 1.084 719 L CA -0.451 54.355 54.840 -0.057 0.000 0.802 719 L CB 1.276 43.271 42.059 -0.106 0.000 1.175 719 L HN -0.167 nan 8.230 nan 0.000 0.448 720 D N 0.000 120.379 120.400 -0.036 0.000 6.856 720 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 720 D CA 0.000 53.985 54.000 -0.026 0.000 0.868 720 D CB 0.000 40.784 40.800 -0.027 0.000 0.688 720 D HN 0.000 nan 8.370 nan 0.000 0.683