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 2h3w_1_A DATA FIRST_RESID 27 DATA SEQUENCE SHMAHQDALP RLPVPPLQQS LDYYLKALQP IVSEEEWAHT KQLVDEFQTS DATA SEQUENCE GGVGERLQKG LERRAKKMEN WLSEWWLKTA YLQFRQPVVI YSSPGVILPK DATA SEQUENCE QDFVDLQGQL RFAAKLIEGV LDFKSMIDNE TLPVEFLGGQ PLCMNQYYQI DATA SEQUENCE LSSCRVPGPK QDSVVNFLKS KRPPTHITVV HNYQFFELDV YHSDGTPLTS DATA SEQUENCE DQIFVQLEKI WNSSLQSNKE PVGILTSNHR NTWAKAYNNL IKDKVNRESV DATA SEQUENCE NSIQKSIFTV CLDKQVPRVS DDVYRNHVAG QMLHGGGSKF NSGNRWFDKT DATA SEQUENCE LQFIVAEDGS CGMVYEHAAA EGPPIVALVD HVMEYTKKPE LVRSPMVPLP DATA SEQUENCE MPKKLRFNIT PEIKNDIEKA KQNLSIMIQD LDIMMLTFHH FGKDFPKSEK DATA SEQUENCE LSPDAFIQVA LQLAYYRIYG QACATYESAS LRMFHLGRTD TIRSASIDSL DATA SEQUENCE AFVKGMGDST VPEQQKVELL RKAVQAHRAY TDRAIRGEAF DRHLLGLKLQ DATA SEQUENCE AIEDLVSMPD IFMDTSYAIA MHFNLSTAQV PAKTDCVGFF GPVVPDGYGI DATA SEQUENCE CYNPMEAHIN FSVSAYNSCA ETNAARMAHY LEKALLDMRT LLQNHPRAK 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 27 S HA 0.000 nan 4.470 nan 0.000 0.327 27 S C 0.000 174.433 174.600 -0.278 0.000 1.055 27 S CA 0.000 57.839 58.200 -0.601 0.000 1.107 27 S CB 0.000 63.220 63.200 0.033 0.000 0.593 28 H N 1.394 120.373 119.070 -0.152 0.000 3.325 28 H HA 0.172 4.730 4.556 0.003 0.000 0.242 28 H C 1.069 176.384 175.328 -0.022 0.000 1.117 28 H CA -0.186 55.825 56.048 -0.061 0.000 1.470 28 H CB 0.008 29.770 29.762 -0.000 0.000 1.573 28 H HN 0.415 nan 8.280 nan 0.000 0.501 29 M N 4.033 123.657 119.600 0.040 0.000 2.252 29 M HA -0.293 4.189 4.480 0.003 0.000 0.255 29 M C 2.333 178.549 176.300 -0.140 0.000 1.085 29 M CA 1.935 57.205 55.300 -0.052 0.000 1.059 29 M CB -0.428 32.151 32.600 -0.035 0.000 1.375 29 M HN 0.780 nan 8.290 nan 0.000 0.409 30 A N -1.318 121.328 122.820 -0.290 0.000 1.858 30 A HA -0.236 4.086 4.320 0.003 0.000 0.216 30 A C 2.019 179.474 177.584 -0.215 0.000 1.190 30 A CA 2.193 54.046 52.037 -0.307 0.000 0.617 30 A CB -1.105 17.598 19.000 -0.494 0.000 0.827 30 A HN 0.628 nan 8.150 nan 0.000 0.443 31 H N -0.415 118.470 119.070 -0.308 0.000 2.290 31 H HA -0.155 4.403 4.556 0.003 0.000 0.298 31 H C 2.160 177.421 175.328 -0.111 0.000 1.087 31 H CA 2.278 58.230 56.048 -0.161 0.000 1.291 31 H CB -0.100 29.607 29.762 -0.092 0.000 1.369 31 H HN 0.378 nan 8.280 nan 0.000 0.492 32 Q N 0.381 120.065 119.800 -0.193 0.000 2.096 32 Q HA -0.143 4.199 4.340 0.003 0.000 0.204 32 Q C 1.873 177.680 176.000 -0.322 0.000 0.982 32 Q CA 1.491 57.162 55.803 -0.220 0.000 0.850 32 Q CB -0.265 28.447 28.738 -0.043 0.000 0.901 32 Q HN 0.674 nan 8.270 nan 0.000 0.422 33 D N 0.264 120.503 120.400 -0.268 0.000 2.219 33 D HA -0.077 4.565 4.640 0.003 0.000 0.205 33 D C 1.374 177.552 176.300 -0.202 0.000 0.970 33 D CA 1.115 54.966 54.000 -0.248 0.000 0.851 33 D CB 0.080 40.776 40.800 -0.174 0.000 0.943 33 D HN 0.229 nan 8.370 nan 0.000 0.488 34 A N 0.169 122.868 122.820 -0.202 0.000 2.238 34 A HA 0.111 4.433 4.320 0.003 0.000 0.208 34 A C 1.076 178.564 177.584 -0.160 0.000 1.177 34 A CA -0.038 51.907 52.037 -0.154 0.000 0.804 34 A CB -0.148 18.776 19.000 -0.128 0.000 0.823 34 A HN 0.121 nan 8.150 nan 0.000 0.482 35 L N 1.751 122.847 121.223 -0.211 0.000 2.350 35 L HA 0.290 4.632 4.340 0.003 0.000 0.275 35 L C -1.953 174.893 176.870 -0.040 0.000 1.099 35 L CA -2.062 52.687 54.840 -0.153 0.000 0.808 35 L CB 0.917 42.873 42.059 -0.171 0.000 1.149 35 L HN 0.126 nan 8.230 nan 0.000 0.442 36 P HA 0.162 nan 4.420 nan 0.000 0.271 36 P C -0.896 176.575 177.300 0.285 0.000 1.218 36 P CA -0.592 62.599 63.100 0.152 0.000 0.780 36 P CB 0.885 32.708 31.700 0.205 0.000 0.901 37 R N 1.269 121.899 120.500 0.216 0.000 2.490 37 R HA 0.304 4.645 4.340 0.003 0.000 0.278 37 R C -0.095 176.269 176.300 0.106 0.000 1.069 37 R CA -1.001 55.211 56.100 0.187 0.000 1.080 37 R CB -0.592 29.778 30.300 0.117 0.000 1.030 37 R HN 0.425 nan 8.270 nan 0.000 0.491 38 L N 5.841 127.061 121.223 -0.006 0.000 2.628 38 L HA 0.109 4.451 4.340 0.003 0.000 0.274 38 L C -1.920 174.871 176.870 -0.132 0.000 1.209 38 L CA -0.483 54.162 54.840 -0.324 0.000 0.930 38 L CB 0.032 41.898 42.059 -0.322 0.000 1.183 38 L HN 0.577 nan 8.230 nan 0.000 0.492 39 P HA 0.169 nan 4.420 nan 0.000 0.278 39 P C -1.307 176.029 177.300 0.060 0.000 1.266 39 P CA -0.446 62.594 63.100 -0.100 0.000 0.807 39 P CB 1.266 32.855 31.700 -0.186 0.000 1.094 40 V N 2.200 122.056 119.914 -0.097 0.000 2.326 40 V HA 0.256 4.378 4.120 0.003 0.000 0.281 40 V C -2.080 173.824 176.094 -0.316 0.000 1.015 40 V CA -1.737 60.376 62.300 -0.312 0.000 0.823 40 V CB 0.729 32.252 31.823 -0.500 0.000 1.009 40 V HN 0.544 nan 8.190 nan 0.000 0.436 41 P HA 0.180 nan 4.420 nan 0.000 0.268 41 P C -2.633 174.569 177.300 -0.164 0.000 1.208 41 P CA -0.927 62.058 63.100 -0.191 0.000 0.777 41 P CB -0.095 31.579 31.700 -0.044 0.000 0.875 42 P HA -0.009 nan 4.420 nan 0.000 0.268 42 P C 0.736 178.130 177.300 0.155 0.000 1.205 42 P CA -0.134 62.986 63.100 0.035 0.000 0.771 42 P CB 0.359 32.068 31.700 0.016 0.000 0.858 43 L N 4.284 125.598 121.223 0.151 0.000 1.989 43 L HA -0.242 4.100 4.340 0.003 0.000 0.211 43 L C 2.003 178.910 176.870 0.061 0.000 1.071 43 L CA 2.028 56.960 54.840 0.154 0.000 0.749 43 L CB -1.205 40.869 42.059 0.025 0.000 0.890 43 L HN 0.385 nan 8.230 nan 0.000 0.431 44 Q N -1.069 118.734 119.800 0.005 0.000 2.224 44 Q HA -0.258 4.084 4.340 0.003 0.000 0.203 44 Q C 2.137 178.098 176.000 -0.066 0.000 0.970 44 Q CA 1.576 57.359 55.803 -0.034 0.000 0.865 44 Q CB -0.249 28.460 28.738 -0.048 0.000 0.922 44 Q HN 0.721 nan 8.270 nan 0.000 0.445 45 Q N 0.540 120.306 119.800 -0.057 0.000 2.016 45 Q HA -0.131 4.210 4.340 0.003 0.000 0.200 45 Q C 1.985 177.887 176.000 -0.164 0.000 0.978 45 Q CA 1.502 57.205 55.803 -0.167 0.000 0.833 45 Q CB 0.061 28.749 28.738 -0.083 0.000 0.895 45 Q HN 0.198 nan 8.270 nan 0.000 0.427 46 S N 0.876 116.636 115.700 0.100 0.000 2.382 46 S HA -0.087 4.384 4.470 0.003 0.000 0.228 46 S C 1.898 176.507 174.600 0.014 0.000 1.027 46 S CA 1.016 59.364 58.200 0.248 0.000 0.991 46 S CB -0.186 63.279 63.200 0.441 0.000 0.823 46 S HN 0.358 nan 8.310 nan 0.000 0.469 47 L N 0.922 122.127 121.223 -0.031 0.000 2.141 47 L HA -0.118 4.224 4.340 0.003 0.000 0.209 47 L C 2.322 179.155 176.870 -0.062 0.000 1.094 47 L CA 1.283 56.095 54.840 -0.046 0.000 0.763 47 L CB -0.526 41.523 42.059 -0.017 0.000 0.908 47 L HN 0.271 nan 8.230 nan 0.000 0.437 48 D N -0.649 119.684 120.400 -0.112 0.000 2.097 48 D HA -0.227 4.415 4.640 0.003 0.000 0.197 48 D C 2.071 178.339 176.300 -0.054 0.000 0.984 48 D CA 1.414 55.342 54.000 -0.120 0.000 0.826 48 D CB 0.000 40.669 40.800 -0.219 0.000 0.973 48 D HN 0.169 nan 8.370 nan 0.000 0.460 49 Y N -0.622 119.652 120.300 -0.044 0.000 2.224 49 Y HA -0.120 4.432 4.550 0.003 0.000 0.289 49 Y C 2.083 177.870 175.900 -0.188 0.000 1.146 49 Y CA 0.840 58.925 58.100 -0.025 0.000 1.182 49 Y CB -1.169 37.362 38.460 0.118 0.000 0.983 49 Y HN 0.162 nan 8.280 nan 0.000 0.524 50 Y N 0.246 120.159 120.300 -0.645 0.000 2.145 50 Y HA -0.220 4.332 4.550 0.003 0.000 0.286 50 Y C 2.054 177.833 175.900 -0.202 0.000 1.145 50 Y CA 1.348 58.885 58.100 -0.938 0.000 1.148 50 Y CB -0.783 37.136 38.460 -0.901 0.000 0.981 50 Y HN 0.057 nan 8.280 nan 0.000 0.507 51 L N -0.014 121.057 121.223 -0.253 0.000 2.131 51 L HA -0.235 4.106 4.340 0.003 0.000 0.210 51 L C 2.430 179.448 176.870 0.248 0.000 1.092 51 L CA 1.662 56.417 54.840 -0.142 0.000 0.759 51 L CB -0.474 41.533 42.059 -0.087 0.000 0.903 51 L HN 0.159 nan 8.230 nan 0.000 0.435 52 K N -0.048 120.471 120.400 0.199 0.000 2.062 52 K HA -0.070 4.252 4.320 0.003 0.000 0.205 52 K C 2.162 178.901 176.600 0.231 0.000 1.051 52 K CA 1.232 57.658 56.287 0.232 0.000 0.941 52 K CB -0.201 32.437 32.500 0.230 0.000 0.719 52 K HN 0.248 nan 8.250 nan 0.000 0.440 53 A N 0.908 123.890 122.820 0.271 0.000 2.119 53 A HA -0.041 4.281 4.320 0.003 0.000 0.217 53 A C 1.930 179.659 177.584 0.241 0.000 1.153 53 A CA 0.973 53.214 52.037 0.340 0.000 0.692 53 A CB -0.354 19.011 19.000 0.608 0.000 0.799 53 A HN 0.148 nan 8.150 nan 0.000 0.458 54 L N -1.480 119.834 121.223 0.151 0.000 2.209 54 L HA -0.108 4.234 4.340 0.003 0.000 0.207 54 L C 2.684 179.688 176.870 0.223 0.000 1.094 54 L CA 1.025 55.944 54.840 0.133 0.000 0.790 54 L CB -0.389 41.646 42.059 -0.040 0.000 0.932 54 L HN 0.529 nan 8.230 nan 0.000 0.447 55 Q N 0.812 120.746 119.800 0.222 0.000 2.133 55 Q HA -0.216 4.125 4.340 0.003 0.000 0.208 55 Q C -0.718 175.288 176.000 0.010 0.000 0.991 55 Q CA 2.201 57.993 55.803 -0.018 0.000 0.867 55 Q CB -0.603 28.020 28.738 -0.191 0.000 0.911 55 Q HN 0.345 nan 8.270 nan 0.000 0.417 56 P HA -0.044 nan 4.420 nan 0.000 0.236 56 P C 0.880 178.239 177.300 0.097 0.000 1.177 56 P CA 0.974 64.116 63.100 0.069 0.000 0.773 56 P CB -0.091 31.658 31.700 0.081 0.000 0.878 57 I N -3.285 117.351 120.570 0.111 0.000 4.154 57 I HA 0.227 4.399 4.170 0.003 0.000 0.334 57 I C 0.357 176.536 176.117 0.103 0.000 1.371 57 I CA -0.546 60.819 61.300 0.110 0.000 1.110 57 I CB 0.782 38.848 38.000 0.110 0.000 1.085 57 I HN -0.307 nan 8.210 nan 0.000 0.398 58 V N -0.961 119.022 119.914 0.116 0.000 3.074 58 V HA 0.734 4.855 4.120 0.003 0.000 0.314 58 V C 0.347 176.510 176.094 0.115 0.000 1.117 58 V CA -0.263 62.108 62.300 0.119 0.000 1.014 58 V CB 1.397 33.311 31.823 0.151 0.000 1.057 58 V HN 0.304 nan 8.190 nan 0.000 0.438 59 S N 0.369 116.133 115.700 0.106 0.000 2.614 59 S HA 0.315 4.787 4.470 0.003 0.000 0.265 59 S C 0.739 175.414 174.600 0.125 0.000 1.303 59 S CA 0.397 58.652 58.200 0.091 0.000 1.000 59 S CB 0.804 64.046 63.200 0.071 0.000 0.935 59 S HN 0.862 nan 8.310 nan 0.000 0.551 60 E N 0.704 120.956 120.200 0.087 0.000 2.110 60 E HA -0.168 4.184 4.350 0.003 0.000 0.193 60 E C 1.807 178.506 176.600 0.165 0.000 0.988 60 E CA 1.568 58.029 56.400 0.102 0.000 0.804 60 E CB -0.148 29.576 29.700 0.040 0.000 0.745 60 E HN 0.742 nan 8.360 nan 0.000 0.458 61 E N 0.954 121.224 120.200 0.117 0.000 2.072 61 E HA -0.172 4.180 4.350 0.003 0.000 0.191 61 E C 1.823 178.506 176.600 0.137 0.000 0.985 61 E CA 1.128 57.593 56.400 0.108 0.000 0.801 61 E CB -0.065 29.670 29.700 0.058 0.000 0.750 61 E HN 0.304 nan 8.360 nan 0.000 0.452 62 E N -0.531 119.751 120.200 0.138 0.000 2.072 62 E HA -0.179 4.173 4.350 0.003 0.000 0.191 62 E C 1.805 178.511 176.600 0.177 0.000 0.985 62 E CA 0.861 57.348 56.400 0.144 0.000 0.801 62 E CB -0.280 29.490 29.700 0.117 0.000 0.750 62 E HN 0.336 nan 8.360 nan 0.000 0.452 63 W N 1.567 122.881 121.300 0.023 0.000 2.358 63 W HA -0.156 4.506 4.660 0.003 0.000 0.303 63 W C 2.420 178.939 176.519 -0.001 0.000 1.208 63 W CA 1.934 59.273 57.345 -0.009 0.000 1.274 63 W CB -0.133 29.315 29.460 -0.020 0.000 1.138 63 W HN 0.037 nan 8.180 nan 0.000 0.515 64 A N -0.844 122.194 122.820 0.364 0.000 1.902 64 A HA -0.308 4.014 4.320 0.003 0.000 0.217 64 A C 2.049 179.660 177.584 0.045 0.000 1.181 64 A CA 1.969 54.148 52.037 0.236 0.000 0.623 64 A CB -1.524 17.612 19.000 0.227 0.000 0.818 64 A HN 0.634 nan 8.150 nan 0.000 0.443 65 H N -0.525 118.525 119.070 -0.032 0.000 2.326 65 H HA -0.103 4.455 4.556 0.003 0.000 0.301 65 H C 2.043 177.283 175.328 -0.147 0.000 1.081 65 H CA 1.874 57.881 56.048 -0.069 0.000 1.334 65 H CB 0.034 29.773 29.762 -0.038 0.000 1.385 65 H HN 0.438 nan 8.280 nan 0.000 0.504 66 T N 0.903 115.294 114.554 -0.271 0.000 2.746 66 T HA -0.159 4.193 4.350 0.003 0.000 0.267 66 T C 1.976 176.384 174.700 -0.486 0.000 1.039 66 T CA 1.733 63.593 62.100 -0.399 0.000 1.142 66 T CB -0.178 68.458 68.868 -0.385 0.000 0.866 66 T HN 0.229 nan 8.240 nan 0.000 0.444 67 K N 1.285 121.308 120.400 -0.628 0.000 2.113 67 K HA -0.143 4.179 4.320 0.003 0.000 0.208 67 K C 2.300 178.701 176.600 -0.332 0.000 1.047 67 K CA 1.448 57.368 56.287 -0.611 0.000 0.928 67 K CB -0.325 31.746 32.500 -0.716 0.000 0.716 67 K HN 0.210 nan 8.250 nan 0.000 0.446 68 Q N 0.130 119.766 119.800 -0.273 0.000 2.083 68 Q HA -0.029 4.313 4.340 0.003 0.000 0.198 68 Q C 2.279 178.149 176.000 -0.218 0.000 0.969 68 Q CA 1.343 57.030 55.803 -0.193 0.000 0.838 68 Q CB -0.178 28.475 28.738 -0.143 0.000 0.900 68 Q HN 0.388 nan 8.270 nan 0.000 0.436 69 L N -0.072 120.958 121.223 -0.323 0.000 2.083 69 L HA -0.149 4.193 4.340 0.003 0.000 0.209 69 L C 2.436 179.187 176.870 -0.198 0.000 1.083 69 L CA 0.678 55.341 54.840 -0.294 0.000 0.752 69 L CB -0.549 41.265 42.059 -0.408 0.000 0.899 69 L HN 0.017 nan 8.230 nan 0.000 0.433 70 V N -0.175 119.613 119.914 -0.210 0.000 2.295 70 V HA -0.288 3.834 4.120 0.003 0.000 0.246 70 V C 2.179 178.245 176.094 -0.047 0.000 1.049 70 V CA 1.913 64.143 62.300 -0.118 0.000 1.024 70 V CB -0.495 31.233 31.823 -0.159 0.000 0.648 70 V HN 0.444 nan 8.190 nan 0.000 0.447 71 D N -0.298 120.048 120.400 -0.090 0.000 2.104 71 D HA -0.216 4.426 4.640 0.003 0.000 0.194 71 D C 2.170 178.441 176.300 -0.048 0.000 0.994 71 D CA 1.784 55.745 54.000 -0.066 0.000 0.830 71 D CB -0.110 40.646 40.800 -0.072 0.000 0.959 71 D HN 0.540 nan 8.370 nan 0.000 0.452 72 E N 0.236 120.408 120.200 -0.046 0.000 2.047 72 E HA -0.166 4.186 4.350 0.003 0.000 0.191 72 E C 1.931 178.526 176.600 -0.008 0.000 0.987 72 E CA 0.600 56.980 56.400 -0.034 0.000 0.799 72 E CB -0.561 29.116 29.700 -0.039 0.000 0.752 72 E HN 0.179 nan 8.360 nan 0.000 0.449 73 F N 1.709 121.562 119.950 -0.162 0.000 2.154 73 F HA -0.181 4.348 4.527 0.003 0.000 0.301 73 F C 2.051 177.763 175.800 -0.145 0.000 1.087 73 F CA 2.197 60.089 58.000 -0.179 0.000 1.274 73 F CB -0.216 38.632 39.000 -0.253 0.000 1.009 73 F HN 0.266 nan 8.300 nan 0.000 0.485 74 Q N -0.703 119.014 119.800 -0.139 0.000 2.247 74 Q HA 0.131 4.473 4.340 0.003 0.000 0.204 74 Q C 0.757 176.664 176.000 -0.155 0.000 0.872 74 Q CA 0.130 55.806 55.803 -0.211 0.000 0.951 74 Q CB -0.403 28.271 28.738 -0.105 0.000 1.099 74 Q HN 0.205 nan 8.270 nan 0.000 0.501 75 T N 1.055 115.533 114.554 -0.127 0.000 2.903 75 T HA 0.066 4.418 4.350 0.003 0.000 0.314 75 T C -0.021 174.617 174.700 -0.105 0.000 1.078 75 T CA -0.025 62.017 62.100 -0.096 0.000 1.114 75 T CB 0.739 69.562 68.868 -0.074 0.000 0.987 75 T HN 0.357 nan 8.240 nan 0.000 0.548 76 S N 2.386 118.038 115.700 -0.080 0.000 2.544 76 S HA 0.377 4.848 4.470 0.003 0.000 0.290 76 S C 1.456 176.011 174.600 -0.075 0.000 1.276 76 S CA 0.535 58.690 58.200 -0.075 0.000 1.075 76 S CB 0.166 63.332 63.200 -0.056 0.000 0.849 76 S HN 1.283 nan 8.310 nan 0.000 0.494 77 G N 2.571 111.322 108.800 -0.081 0.000 2.148 77 G HA2 -0.192 3.770 3.960 0.003 0.000 0.254 77 G HA3 -0.192 3.770 3.960 0.003 0.000 0.254 77 G C 0.420 175.268 174.900 -0.087 0.000 0.981 77 G CA 0.002 45.057 45.100 -0.074 0.000 0.670 77 G HN 1.070 nan 8.290 nan 0.000 0.528 78 G N -1.352 107.376 108.800 -0.120 0.000 2.510 78 G HA2 0.567 4.529 3.960 0.003 0.000 0.280 78 G HA3 0.567 4.529 3.960 0.003 0.000 0.280 78 G C 1.251 176.043 174.900 -0.179 0.000 1.386 78 G CA 0.416 45.431 45.100 -0.140 0.000 1.047 78 G HN 0.664 nan 8.290 nan 0.000 0.527 79 V N 0.870 120.663 119.914 -0.203 0.000 2.270 79 V HA -0.043 4.079 4.120 0.003 0.000 0.245 79 V C 3.141 178.987 176.094 -0.413 0.000 1.043 79 V CA 2.347 64.528 62.300 -0.199 0.000 1.014 79 V CB -1.194 30.597 31.823 -0.054 0.000 0.645 79 V HN 0.802 nan 8.190 nan 0.000 0.447 80 G N -0.597 107.613 108.800 -0.984 0.000 2.440 80 G HA2 -0.330 3.632 3.960 0.003 0.000 0.218 80 G HA3 -0.330 3.632 3.960 0.003 0.000 0.218 80 G C 1.532 176.097 174.900 -0.558 0.000 1.154 80 G CA 1.115 45.391 45.100 -1.373 0.000 0.767 80 G HN 0.582 nan 8.290 nan 0.000 0.552 81 E N 0.072 120.033 120.200 -0.398 0.000 2.077 81 E HA -0.124 4.228 4.350 0.003 0.000 0.193 81 E C 2.671 179.179 176.600 -0.155 0.000 0.989 81 E CA 0.699 56.966 56.400 -0.221 0.000 0.800 81 E CB -0.075 29.521 29.700 -0.173 0.000 0.746 81 E HN 0.386 nan 8.360 nan 0.000 0.452 82 R N -0.039 120.373 120.500 -0.147 0.000 2.075 82 R HA -0.081 4.261 4.340 0.003 0.000 0.232 82 R C 2.574 178.839 176.300 -0.059 0.000 1.126 82 R CA 1.132 57.181 56.100 -0.085 0.000 0.963 82 R CB -0.227 30.032 30.300 -0.067 0.000 0.858 82 R HN 0.274 nan 8.270 nan 0.000 0.435 83 L N 0.358 121.540 121.223 -0.068 0.000 2.046 83 L HA -0.205 4.137 4.340 0.003 0.000 0.208 83 L C 2.678 179.547 176.870 -0.002 0.000 1.077 83 L CA 1.206 56.047 54.840 0.002 0.000 0.747 83 L CB -0.460 41.635 42.059 0.059 0.000 0.896 83 L HN 0.161 nan 8.230 nan 0.000 0.432 84 Q N 0.573 120.348 119.800 -0.042 0.000 2.096 84 Q HA -0.205 4.137 4.340 0.003 0.000 0.204 84 Q C 2.182 178.149 176.000 -0.055 0.000 0.982 84 Q CA 1.627 57.416 55.803 -0.024 0.000 0.850 84 Q CB 0.021 28.738 28.738 -0.035 0.000 0.901 84 Q HN 0.152 nan 8.270 nan 0.000 0.422 85 K N -0.427 119.939 120.400 -0.057 0.000 2.063 85 K HA -0.074 4.248 4.320 0.003 0.000 0.208 85 K C 2.045 178.617 176.600 -0.046 0.000 1.048 85 K CA 1.300 57.555 56.287 -0.054 0.000 0.928 85 K CB -0.891 31.580 32.500 -0.048 0.000 0.713 85 K HN 0.440 nan 8.250 nan 0.000 0.442 86 G N 1.484 110.270 108.800 -0.025 0.000 2.418 86 G HA2 -0.211 3.751 3.960 0.003 0.000 0.217 86 G HA3 -0.211 3.751 3.960 0.003 0.000 0.217 86 G C 1.705 176.592 174.900 -0.022 0.000 1.158 86 G CA 0.480 45.581 45.100 0.000 0.000 0.771 86 G HN 0.161 nan 8.290 nan 0.000 0.545 87 L N 0.150 121.337 121.223 -0.060 0.000 2.046 87 L HA -0.062 4.280 4.340 0.003 0.000 0.208 87 L C 2.906 179.616 176.870 -0.266 0.000 1.077 87 L CA 1.287 56.008 54.840 -0.200 0.000 0.747 87 L CB -0.437 41.419 42.059 -0.337 0.000 0.896 87 L HN 0.317 nan 8.230 nan 0.000 0.432 88 E N -0.189 119.895 120.200 -0.195 0.000 2.153 88 E HA -0.191 4.161 4.350 0.003 0.000 0.194 88 E C 2.311 178.853 176.600 -0.097 0.000 0.988 88 E CA 0.759 57.064 56.400 -0.158 0.000 0.811 88 E CB -0.028 29.603 29.700 -0.115 0.000 0.746 88 E HN 0.440 nan 8.360 nan 0.000 0.466 89 R N 0.555 121.012 120.500 -0.072 0.000 2.090 89 R HA -0.023 4.318 4.340 0.003 0.000 0.228 89 R C 2.436 178.712 176.300 -0.040 0.000 1.110 89 R CA 0.721 56.795 56.100 -0.044 0.000 0.973 89 R CB -0.193 30.089 30.300 -0.029 0.000 0.869 89 R HN 0.047 nan 8.270 nan 0.000 0.440 90 R N 0.856 121.323 120.500 -0.054 0.000 2.096 90 R HA -0.104 4.238 4.340 0.003 0.000 0.235 90 R C 2.033 178.335 176.300 0.004 0.000 1.127 90 R CA 1.533 57.603 56.100 -0.050 0.000 0.968 90 R CB -0.172 30.074 30.300 -0.090 0.000 0.861 90 R HN 0.193 nan 8.270 nan 0.000 0.440 91 A N 0.818 123.643 122.820 0.008 0.000 2.015 91 A HA -0.103 4.218 4.320 0.003 0.000 0.219 91 A C 1.728 179.342 177.584 0.050 0.000 1.163 91 A CA 1.174 53.267 52.037 0.093 0.000 0.646 91 A CB -0.129 18.902 19.000 0.050 0.000 0.806 91 A HN 0.311 nan 8.150 nan 0.000 0.448 92 K N -0.264 120.142 120.400 0.009 0.000 2.365 92 K HA -0.027 4.295 4.320 0.003 0.000 0.197 92 K C 1.174 177.777 176.600 0.004 0.000 1.042 92 K CA 1.189 57.479 56.287 0.005 0.000 0.987 92 K CB 0.077 32.572 32.500 -0.009 0.000 0.779 92 K HN 0.691 nan 8.250 nan 0.000 0.484 93 K N -0.084 120.317 120.400 0.001 0.000 2.414 93 K HA 0.258 4.579 4.320 0.003 0.000 0.204 93 K C 0.173 176.770 176.600 -0.004 0.000 1.026 93 K CA -0.039 56.245 56.287 -0.005 0.000 1.108 93 K CB 0.472 32.964 32.500 -0.014 0.000 0.855 93 K HN -0.067 nan 8.250 nan 0.000 0.517 94 M N 0.460 120.065 119.600 0.009 0.000 2.575 94 M HA 0.253 4.734 4.480 0.003 0.000 0.284 94 M C -0.084 176.241 176.300 0.042 0.000 1.253 94 M CA -0.615 54.691 55.300 0.009 0.000 0.861 94 M CB 2.498 35.087 32.600 -0.018 0.000 1.733 94 M HN -0.070 nan 8.290 nan 0.000 0.462 95 E N 0.853 121.084 120.200 0.052 0.000 2.152 95 E HA -0.039 4.313 4.350 0.003 0.000 0.192 95 E C 0.207 176.868 176.600 0.102 0.000 0.983 95 E CA 0.791 57.267 56.400 0.126 0.000 0.818 95 E CB 0.275 30.098 29.700 0.204 0.000 0.758 95 E HN 0.380 nan 8.360 nan 0.000 0.467 96 N N -0.259 118.441 118.700 0.000 0.000 2.549 96 N HA -0.019 4.723 4.740 0.003 0.000 0.290 96 N C -0.153 175.278 175.510 -0.132 0.000 1.122 96 N CA -0.489 52.501 53.050 -0.099 0.000 0.885 96 N CB 0.613 38.990 38.487 -0.184 0.000 1.455 96 N HN 0.182 nan 8.380 nan 0.000 0.521 97 W N 3.888 125.133 121.300 -0.093 0.000 2.525 97 W HA -0.033 4.629 4.660 0.003 0.000 0.259 97 W C 0.386 176.815 176.519 -0.151 0.000 1.253 97 W CA 0.179 57.427 57.345 -0.162 0.000 1.262 97 W CB -0.137 29.250 29.460 -0.121 0.000 1.122 97 W HN 0.419 nan 8.180 nan 0.000 0.607 98 L N 1.467 122.200 121.223 -0.818 0.000 2.357 98 L HA 0.131 4.473 4.340 0.003 0.000 0.211 98 L C 2.587 179.358 176.870 -0.166 0.000 1.075 98 L CA 1.426 55.871 54.840 -0.658 0.000 0.830 98 L CB -0.655 40.656 42.059 -1.248 0.000 0.996 98 L HN -0.200 nan 8.230 nan 0.000 0.467 99 S N 0.302 115.888 115.700 -0.190 0.000 2.435 99 S HA -0.391 4.081 4.470 0.003 0.000 0.250 99 S C 1.850 176.498 174.600 0.079 0.000 1.065 99 S CA 2.367 60.544 58.200 -0.040 0.000 1.243 99 S CB -0.519 62.632 63.200 -0.081 0.000 1.158 99 S HN 0.665 nan 8.310 nan 0.000 0.430 100 E N -0.668 119.549 120.200 0.028 0.000 2.077 100 E HA -0.183 4.169 4.350 0.003 0.000 0.193 100 E C 1.972 178.701 176.600 0.215 0.000 0.989 100 E CA 1.197 57.643 56.400 0.077 0.000 0.800 100 E CB -0.145 29.556 29.700 0.001 0.000 0.746 100 E HN 0.578 nan 8.360 nan 0.000 0.452 101 W N 0.882 122.228 121.300 0.077 0.000 2.335 101 W HA -0.209 4.452 4.660 0.003 0.000 0.311 101 W C 2.248 178.821 176.519 0.090 0.000 1.213 101 W CA 0.665 58.063 57.345 0.088 0.000 1.274 101 W CB -1.481 28.062 29.460 0.139 0.000 1.148 101 W HN 0.381 nan 8.180 nan 0.000 0.498 102 W N 0.706 122.103 121.300 0.163 0.000 2.333 102 W HA -0.269 4.392 4.660 0.003 0.000 0.316 102 W C 2.238 178.750 176.519 -0.012 0.000 1.215 102 W CA 1.609 58.965 57.345 0.019 0.000 1.278 102 W CB -0.823 28.623 29.460 -0.022 0.000 1.154 102 W HN -0.157 nan 8.180 nan 0.000 0.486 103 L N 2.085 123.359 121.223 0.084 0.000 2.081 103 L HA -0.232 4.110 4.340 0.003 0.000 0.212 103 L C 2.493 179.334 176.870 -0.049 0.000 1.080 103 L CA 2.530 57.397 54.840 0.044 0.000 0.754 103 L CB -1.124 41.028 42.059 0.155 0.000 0.893 103 L HN -0.066 nan 8.230 nan 0.000 0.433 104 K N -1.121 119.270 120.400 -0.015 0.000 2.007 104 K HA -0.147 4.175 4.320 0.003 0.000 0.206 104 K C 2.043 178.567 176.600 -0.127 0.000 1.047 104 K CA 1.857 58.135 56.287 -0.015 0.000 0.937 104 K CB -0.272 32.273 32.500 0.074 0.000 0.718 104 K HN 0.626 nan 8.250 nan 0.000 0.438 105 T N -1.697 112.735 114.554 -0.203 0.000 2.904 105 T HA 0.044 4.396 4.350 0.003 0.000 0.267 105 T C 1.928 176.302 174.700 -0.544 0.000 1.059 105 T CA 0.908 62.833 62.100 -0.293 0.000 1.137 105 T CB -0.069 68.650 68.868 -0.248 0.000 0.879 105 T HN 0.214 nan 8.240 nan 0.000 0.467 106 A N -0.506 121.744 122.820 -0.950 0.000 2.021 106 A HA 0.343 4.665 4.320 0.003 0.000 0.216 106 A C 1.600 178.402 177.584 -1.303 0.000 1.163 106 A CA 0.516 51.657 52.037 -1.494 0.000 0.676 106 A CB -0.322 17.084 19.000 -2.656 0.000 0.818 106 A HN 0.688 nan 8.150 nan 0.000 0.453 107 Y N -2.006 118.105 120.300 -0.315 0.000 3.116 107 Y HA 0.264 4.816 4.550 0.003 0.000 0.220 107 Y C 1.888 177.786 175.900 -0.003 0.000 0.965 107 Y CA -0.371 57.672 58.100 -0.095 0.000 1.476 107 Y CB -0.042 38.358 38.460 -0.100 0.000 1.493 107 Y HN -0.020 nan 8.280 nan 0.000 0.423 108 L N 0.723 122.024 121.223 0.130 0.000 2.129 108 L HA -0.261 4.081 4.340 0.003 0.000 0.212 108 L C 1.607 178.506 176.870 0.049 0.000 1.087 108 L CA 1.759 56.647 54.840 0.080 0.000 0.757 108 L CB -0.460 41.636 42.059 0.061 0.000 0.896 108 L HN 0.446 nan 8.230 nan 0.000 0.434 109 Q N -1.252 118.566 119.800 0.029 0.000 2.356 109 Q HA 0.047 4.389 4.340 0.003 0.000 0.205 109 Q C 0.132 176.181 176.000 0.082 0.000 0.901 109 Q CA -0.293 55.526 55.803 0.027 0.000 0.938 109 Q CB 0.404 29.138 28.738 -0.008 0.000 1.081 109 Q HN 0.194 nan 8.270 nan 0.000 0.517 110 F N 2.187 122.071 119.950 -0.110 0.000 2.494 110 F HA 0.078 4.606 4.527 0.003 0.000 0.369 110 F C 0.721 176.456 175.800 -0.109 0.000 1.098 110 F CA -0.338 57.591 58.000 -0.118 0.000 1.154 110 F CB 0.508 39.431 39.000 -0.128 0.000 1.103 110 F HN -0.147 nan 8.300 nan 0.000 0.549 111 R N 2.666 123.024 120.500 -0.236 0.000 2.297 111 R HA 0.088 4.429 4.340 0.003 0.000 0.197 111 R C 0.551 176.287 176.300 -0.941 0.000 0.943 111 R CA 0.137 55.970 56.100 -0.444 0.000 1.038 111 R CB -0.344 29.864 30.300 -0.153 0.000 0.957 111 R HN 0.597 nan 8.270 nan 0.000 0.484 112 Q N 1.166 120.322 119.800 -1.072 0.000 2.443 112 Q HA 0.209 4.551 4.340 0.003 0.000 0.232 112 Q C -2.142 173.477 176.000 -0.634 0.000 1.026 112 Q CA -1.982 53.287 55.803 -0.889 0.000 0.924 112 Q CB -0.125 28.011 28.738 -1.003 0.000 1.256 112 Q HN -0.050 nan 8.270 nan 0.000 0.519 113 P HA -0.104 nan 4.420 nan 0.000 0.266 113 P C 0.874 178.110 177.300 -0.105 0.000 1.193 113 P CA 0.232 63.249 63.100 -0.138 0.000 0.770 113 P CB 0.421 32.107 31.700 -0.022 0.000 0.836 114 V N 1.405 121.236 119.914 -0.138 0.000 2.667 114 V HA -0.062 4.059 4.120 0.003 0.000 0.252 114 V C 0.849 176.856 176.094 -0.146 0.000 1.065 114 V CA 0.927 63.184 62.300 -0.072 0.000 1.083 114 V CB -0.821 30.985 31.823 -0.029 0.000 0.692 114 V HN 0.148 nan 8.190 nan 0.000 0.468 115 V N 2.037 121.747 119.914 -0.339 0.000 2.585 115 V HA 0.204 4.326 4.120 0.003 0.000 0.296 115 V C 1.404 177.217 176.094 -0.469 0.000 1.035 115 V CA 1.011 63.004 62.300 -0.511 0.000 1.084 115 V CB 0.233 31.568 31.823 -0.812 0.000 0.953 115 V HN 0.628 nan 8.190 nan 0.000 0.483 116 I N 1.501 121.885 120.570 -0.311 0.000 4.270 116 I HA -0.436 3.736 4.170 0.003 0.000 0.084 116 I C 1.354 177.384 176.117 -0.145 0.000 0.554 116 I CA 2.017 63.149 61.300 -0.280 0.000 1.128 116 I CB -1.230 36.442 38.000 -0.547 0.000 1.004 116 I HN 0.674 nan 8.210 nan 0.000 0.177 117 Y N -0.302 120.075 120.300 0.129 0.000 2.544 117 Y HA 0.054 4.605 4.550 0.003 0.000 0.286 117 Y C 2.299 178.368 175.900 0.282 0.000 1.141 117 Y CA 0.913 59.148 58.100 0.225 0.000 1.299 117 Y CB 0.220 38.785 38.460 0.176 0.000 1.030 117 Y HN 0.353 nan 8.280 nan 0.000 0.543 118 S N -1.604 114.264 115.700 0.281 0.000 3.624 118 S HA 0.096 4.568 4.470 0.003 0.000 0.244 118 S C 0.513 175.188 174.600 0.124 0.000 1.115 118 S CA -0.236 58.131 58.200 0.277 0.000 0.820 118 S CB -0.493 62.902 63.200 0.326 0.000 0.964 118 S HN 0.039 nan 8.310 nan 0.000 0.508 119 S N 4.404 120.103 115.700 -0.001 0.000 2.457 119 S HA 0.341 4.813 4.470 0.003 0.000 0.294 119 S C -2.635 171.835 174.600 -0.217 0.000 1.201 119 S CA -0.536 57.563 58.200 -0.168 0.000 1.112 119 S CB 0.710 63.869 63.200 -0.068 0.000 1.018 119 S HN 0.399 nan 8.310 nan 0.000 0.511 120 P HA 0.261 nan 4.420 nan 0.000 0.271 120 P C 0.209 177.330 177.300 -0.298 0.000 1.218 120 P CA -0.130 62.783 63.100 -0.311 0.000 0.780 120 P CB 0.559 31.985 31.700 -0.457 0.000 0.901 121 G N 0.719 109.345 108.800 -0.290 0.000 2.432 121 G HA2 0.598 4.560 3.960 0.003 0.000 0.331 121 G HA3 0.598 4.560 3.960 0.003 0.000 0.331 121 G C -1.451 172.857 174.900 -0.986 0.000 1.170 121 G CA -0.564 44.278 45.100 -0.430 0.000 0.943 121 G HN 0.356 nan 8.290 nan 0.000 0.483 122 V N 1.781 121.343 119.914 -0.586 0.000 2.638 122 V HA 0.415 4.536 4.120 0.003 0.000 0.306 122 V C -0.421 175.607 176.094 -0.110 0.000 1.052 122 V CA -0.593 61.444 62.300 -0.438 0.000 0.885 122 V CB 1.891 33.607 31.823 -0.178 0.000 0.999 122 V HN 0.672 nan 8.190 nan 0.000 0.424 123 I N 5.417 126.015 120.570 0.047 0.000 2.330 123 I HA 0.418 4.590 4.170 0.003 0.000 0.289 123 I C -0.383 175.809 176.117 0.126 0.000 1.001 123 I CA -0.236 61.189 61.300 0.208 0.000 1.193 123 I CB 1.236 39.444 38.000 0.346 0.000 1.345 123 I HN 0.426 nan 8.210 nan 0.000 0.461 124 L N 7.759 129.055 121.223 0.121 0.000 2.400 124 L HA 0.514 4.856 4.340 0.003 0.000 0.264 124 L C -2.237 174.686 176.870 0.089 0.000 1.061 124 L CA -2.035 52.873 54.840 0.114 0.000 0.799 124 L CB 0.457 42.612 42.059 0.160 0.000 1.240 124 L HN 0.288 nan 8.230 nan 0.000 0.461 125 P HA 0.008 nan 4.420 nan 0.000 0.267 125 P C -0.849 176.440 177.300 -0.018 0.000 1.205 125 P CA -0.093 63.027 63.100 0.033 0.000 0.765 125 P CB 0.400 32.121 31.700 0.034 0.000 0.828 126 K N 3.532 123.910 120.400 -0.038 0.000 2.448 126 K HA -0.004 4.318 4.320 0.003 0.000 0.278 126 K C 0.288 176.758 176.600 -0.216 0.000 1.009 126 K CA -0.106 56.116 56.287 -0.108 0.000 0.995 126 K CB 0.337 32.799 32.500 -0.063 0.000 0.917 126 K HN 0.386 nan 8.250 nan 0.000 0.481 127 Q N 1.958 121.522 119.800 -0.394 0.000 2.249 127 Q HA 0.034 4.375 4.340 0.003 0.000 0.226 127 Q C 0.202 175.893 176.000 -0.515 0.000 0.983 127 Q CA -0.139 55.366 55.803 -0.497 0.000 0.930 127 Q CB 1.130 29.423 28.738 -0.742 0.000 1.193 127 Q HN 0.787 nan 8.270 nan 0.000 0.508 128 D N -1.199 118.995 120.400 -0.344 0.000 2.349 128 D HA 0.013 4.654 4.640 0.003 0.000 0.214 128 D C 0.275 176.453 176.300 -0.204 0.000 1.063 128 D CA -0.231 53.617 54.000 -0.253 0.000 0.847 128 D CB -0.492 40.235 40.800 -0.121 0.000 0.933 128 D HN 0.324 nan 8.370 nan 0.000 0.513 129 F N 0.643 120.545 119.950 -0.079 0.000 2.563 129 F HA 0.290 4.818 4.527 0.002 0.000 0.363 129 F C 1.090 176.870 175.800 -0.034 0.000 1.123 129 F CA -1.196 56.777 58.000 -0.045 0.000 1.307 129 F CB 0.599 39.586 39.000 -0.022 0.000 1.115 129 F HN -0.142 nan 8.300 nan 0.000 0.592 130 V N -1.569 118.465 119.914 0.201 0.000 3.477 130 V HA 0.346 4.468 4.120 0.003 0.000 0.297 130 V C -0.822 175.354 176.094 0.137 0.000 1.433 130 V CA 0.259 62.629 62.300 0.117 0.000 1.052 130 V CB -0.913 30.930 31.823 0.035 0.000 0.895 130 V HN 0.892 nan 8.190 nan 0.000 0.438 131 D N -1.969 118.527 120.400 0.159 0.000 2.579 131 D HA 0.349 4.991 4.640 0.003 0.000 0.257 131 D C 0.805 177.091 176.300 -0.022 0.000 1.176 131 D CA -0.847 53.189 54.000 0.059 0.000 0.914 131 D CB 0.993 41.803 40.800 0.017 0.000 1.431 131 D HN -0.193 nan 8.370 nan 0.000 0.454 132 L N 0.277 121.419 121.223 -0.136 0.000 2.013 132 L HA -0.244 4.098 4.340 0.003 0.000 0.212 132 L C 2.392 179.091 176.870 -0.286 0.000 1.073 132 L CA 2.714 57.341 54.840 -0.355 0.000 0.753 132 L CB -1.280 40.468 42.059 -0.517 0.000 0.890 132 L HN 0.767 nan 8.230 nan 0.000 0.432 133 Q N -1.370 118.362 119.800 -0.114 0.000 2.135 133 Q HA -0.122 4.219 4.340 0.003 0.000 0.204 133 Q C 1.998 178.013 176.000 0.024 0.000 0.981 133 Q CA 1.859 57.711 55.803 0.082 0.000 0.856 133 Q CB -1.087 27.693 28.738 0.071 0.000 0.902 133 Q HN 0.386 nan 8.270 nan 0.000 0.425 134 G N 0.544 109.314 108.800 -0.049 0.000 2.404 134 G HA2 -0.322 3.640 3.960 0.003 0.000 0.215 134 G HA3 -0.322 3.640 3.960 0.003 0.000 0.215 134 G C 1.398 176.099 174.900 -0.332 0.000 1.174 134 G CA 0.690 45.770 45.100 -0.032 0.000 0.780 134 G HN 0.486 nan 8.290 nan 0.000 0.537 135 Q N -0.090 119.264 119.800 -0.743 0.000 2.030 135 Q HA -0.054 4.288 4.340 0.003 0.000 0.204 135 Q C 2.569 178.272 176.000 -0.495 0.000 0.986 135 Q CA 1.249 56.264 55.803 -1.312 0.000 0.843 135 Q CB -0.274 27.954 28.738 -0.850 0.000 0.904 135 Q HN 0.493 nan 8.270 nan 0.000 0.420 136 L N 0.059 121.128 121.223 -0.258 0.000 2.191 136 L HA -0.136 4.205 4.340 0.003 0.000 0.212 136 L C 2.630 179.621 176.870 0.203 0.000 1.103 136 L CA 0.762 55.568 54.840 -0.057 0.000 0.769 136 L CB -0.323 41.624 42.059 -0.188 0.000 0.908 136 L HN 0.148 nan 8.230 nan 0.000 0.438 137 R N 0.093 120.694 120.500 0.169 0.000 2.066 137 R HA -0.165 4.177 4.340 0.003 0.000 0.232 137 R C 2.158 178.512 176.300 0.089 0.000 1.131 137 R CA 1.547 57.683 56.100 0.061 0.000 0.955 137 R CB -0.572 29.669 30.300 -0.099 0.000 0.851 137 R HN 0.223 nan 8.270 nan 0.000 0.432 138 F N 0.557 120.474 119.950 -0.055 0.000 2.146 138 F HA -0.026 4.502 4.527 0.002 0.000 0.298 138 F C 1.941 177.755 175.800 0.024 0.000 1.096 138 F CA 1.324 59.337 58.000 0.021 0.000 1.275 138 F CB -0.688 38.375 39.000 0.106 0.000 1.008 138 F HN 0.077 nan 8.300 nan 0.000 0.480 139 A N 0.673 123.450 122.820 -0.072 0.000 1.908 139 A HA -0.141 4.181 4.320 0.003 0.000 0.218 139 A C 2.457 179.955 177.584 -0.143 0.000 1.181 139 A CA 2.156 54.113 52.037 -0.133 0.000 0.627 139 A CB -1.647 17.346 19.000 -0.012 0.000 0.818 139 A HN 0.537 nan 8.150 nan 0.000 0.445 140 A N -0.834 121.958 122.820 -0.046 0.000 1.902 140 A HA -0.151 4.170 4.320 0.003 0.000 0.217 140 A C 2.170 179.718 177.584 -0.060 0.000 1.181 140 A CA 1.868 53.897 52.037 -0.014 0.000 0.623 140 A CB -0.393 18.666 19.000 0.099 0.000 0.818 140 A HN 0.338 nan 8.150 nan 0.000 0.443 141 K N -0.430 119.918 120.400 -0.086 0.000 2.057 141 K HA -0.087 4.234 4.320 0.003 0.000 0.207 141 K C 1.996 178.503 176.600 -0.156 0.000 1.049 141 K CA 1.464 57.721 56.287 -0.050 0.000 0.931 141 K CB -0.650 31.832 32.500 -0.029 0.000 0.714 141 K HN 0.569 nan 8.250 nan 0.000 0.440 142 L N 0.813 121.792 121.223 -0.407 0.000 2.017 142 L HA -0.167 4.175 4.340 0.003 0.000 0.208 142 L C 2.246 178.876 176.870 -0.401 0.000 1.073 142 L CA 1.222 55.764 54.840 -0.497 0.000 0.745 142 L CB -0.200 41.440 42.059 -0.698 0.000 0.894 142 L HN 0.090 nan 8.230 nan 0.000 0.432 143 I N -0.047 120.380 120.570 -0.238 0.000 2.163 143 I HA -0.338 3.834 4.170 0.003 0.000 0.243 143 I C 2.554 178.592 176.117 -0.133 0.000 1.085 143 I CA 1.822 63.089 61.300 -0.055 0.000 1.347 143 I CB -0.402 37.614 38.000 0.028 0.000 1.044 143 I HN 0.424 nan 8.210 nan 0.000 0.408 144 E N 1.000 121.100 120.200 -0.166 0.000 2.110 144 E HA -0.190 4.162 4.350 0.003 0.000 0.193 144 E C 2.276 178.558 176.600 -0.530 0.000 0.988 144 E CA 1.287 57.557 56.400 -0.217 0.000 0.804 144 E CB -0.194 29.483 29.700 -0.038 0.000 0.745 144 E HN 0.517 nan 8.360 nan 0.000 0.458 145 G N 0.285 108.690 108.800 -0.658 0.000 2.422 145 G HA2 -0.213 3.749 3.960 0.003 0.000 0.218 145 G HA3 -0.213 3.749 3.960 0.003 0.000 0.218 145 G C 1.618 176.267 174.900 -0.419 0.000 1.146 145 G CA 0.887 45.461 45.100 -0.877 0.000 0.769 145 G HN 0.222 nan 8.290 nan 0.000 0.547 146 V N 1.101 120.767 119.914 -0.414 0.000 2.358 146 V HA -0.097 4.025 4.120 0.003 0.000 0.246 146 V C 2.880 178.880 176.094 -0.158 0.000 1.047 146 V CA 1.305 63.371 62.300 -0.390 0.000 1.035 146 V CB -0.470 30.828 31.823 -0.875 0.000 0.658 146 V HN 0.338 nan 8.190 nan 0.000 0.452 147 L N 0.157 121.304 121.223 -0.127 0.000 2.131 147 L HA -0.206 4.135 4.340 0.003 0.000 0.210 147 L C 2.306 179.149 176.870 -0.045 0.000 1.092 147 L CA 1.950 56.767 54.840 -0.039 0.000 0.759 147 L CB -0.673 41.312 42.059 -0.124 0.000 0.903 147 L HN 0.417 nan 8.230 nan 0.000 0.435 148 D N -0.024 120.297 120.400 -0.132 0.000 2.117 148 D HA -0.241 4.401 4.640 0.003 0.000 0.198 148 D C 2.034 178.310 176.300 -0.039 0.000 0.982 148 D CA 1.005 54.965 54.000 -0.065 0.000 0.828 148 D CB -0.017 40.693 40.800 -0.150 0.000 0.967 148 D HN 0.224 nan 8.370 nan 0.000 0.464 149 F N 1.002 120.800 119.950 -0.252 0.000 2.186 149 F HA -0.017 4.511 4.527 0.003 0.000 0.299 149 F C 2.158 177.794 175.800 -0.274 0.000 1.090 149 F CA 1.138 58.861 58.000 -0.461 0.000 1.307 149 F CB -0.030 38.691 39.000 -0.465 0.000 1.019 149 F HN -0.170 nan 8.300 nan 0.000 0.489 150 K N 0.290 120.659 120.400 -0.052 0.000 2.147 150 K HA -0.191 4.130 4.320 0.003 0.000 0.205 150 K C 2.292 178.814 176.600 -0.130 0.000 1.049 150 K CA 1.521 57.768 56.287 -0.067 0.000 0.936 150 K CB -0.301 32.244 32.500 0.075 0.000 0.722 150 K HN 0.416 nan 8.250 nan 0.000 0.446 151 S N 0.667 116.307 115.700 -0.101 0.000 2.370 151 S HA -0.207 4.265 4.470 0.003 0.000 0.226 151 S C 2.026 176.526 174.600 -0.166 0.000 1.033 151 S CA 1.457 59.608 58.200 -0.082 0.000 1.011 151 S CB -0.354 62.826 63.200 -0.034 0.000 0.852 151 S HN 0.338 nan 8.310 nan 0.000 0.457 152 M N 0.649 120.073 119.600 -0.294 0.000 2.229 152 M HA 0.072 4.553 4.480 0.003 0.000 0.264 152 M C 2.183 178.267 176.300 -0.361 0.000 1.063 152 M CA 1.354 56.442 55.300 -0.354 0.000 1.114 152 M CB -0.557 31.722 32.600 -0.535 0.000 1.387 152 M HN 0.349 nan 8.290 nan 0.000 0.420 153 I N 0.069 120.375 120.570 -0.440 0.000 2.202 153 I HA -0.279 3.893 4.170 0.003 0.000 0.242 153 I C 1.874 177.874 176.117 -0.196 0.000 1.091 153 I CA 1.111 62.133 61.300 -0.462 0.000 1.368 153 I CB -0.538 37.127 38.000 -0.558 0.000 1.058 153 I HN 0.241 nan 8.210 nan 0.000 0.410 154 D N 0.972 121.296 120.400 -0.127 0.000 2.144 154 D HA -0.141 4.501 4.640 0.003 0.000 0.199 154 D C 1.526 177.817 176.300 -0.016 0.000 0.984 154 D CA 1.145 55.129 54.000 -0.027 0.000 0.834 154 D CB -0.381 40.395 40.800 -0.041 0.000 0.955 154 D HN 0.356 nan 8.370 nan 0.000 0.465 155 N N 0.822 119.482 118.700 -0.066 0.000 2.336 155 N HA -0.034 4.708 4.740 0.003 0.000 0.189 155 N C -0.207 175.237 175.510 -0.110 0.000 1.113 155 N CA 0.107 53.110 53.050 -0.078 0.000 0.858 155 N CB 0.409 38.845 38.487 -0.086 0.000 0.970 155 N HN 0.291 nan 8.380 nan 0.000 0.471 156 E N -0.698 119.461 120.200 -0.068 0.000 2.440 156 E HA -0.189 4.162 4.350 0.003 0.000 0.246 156 E C 0.038 176.528 176.600 -0.183 0.000 1.165 156 E CA 0.927 57.282 56.400 -0.075 0.000 0.726 156 E CB -1.713 27.863 29.700 -0.208 0.000 1.271 156 E HN 0.512 nan 8.360 nan 0.000 0.397 157 T N -2.681 111.770 114.554 -0.172 0.000 3.054 157 T HA 0.242 4.594 4.350 0.003 0.000 0.255 157 T C 0.536 175.124 174.700 -0.188 0.000 1.035 157 T CA -0.558 61.445 62.100 -0.162 0.000 0.941 157 T CB 0.257 69.044 68.868 -0.136 0.000 1.026 157 T HN 0.100 nan 8.240 nan 0.000 0.533 158 L N 3.746 124.815 121.223 -0.258 0.000 2.584 158 L HA 0.301 4.643 4.340 0.003 0.000 0.272 158 L C -2.195 174.524 176.870 -0.252 0.000 1.195 158 L CA -1.668 52.961 54.840 -0.353 0.000 0.920 158 L CB -0.121 41.625 42.059 -0.522 0.000 1.173 158 L HN 0.039 nan 8.230 nan 0.000 0.489 159 P HA 0.011 nan 4.420 nan 0.000 0.265 159 P C -0.888 176.315 177.300 -0.162 0.000 1.187 159 P CA -0.221 62.805 63.100 -0.124 0.000 0.766 159 P CB 0.378 32.044 31.700 -0.057 0.000 0.820 160 V N 3.252 123.070 119.914 -0.160 0.000 2.614 160 V HA 0.083 4.205 4.120 0.003 0.000 0.291 160 V C 0.739 176.703 176.094 -0.217 0.000 1.049 160 V CA 0.204 62.331 62.300 -0.290 0.000 1.038 160 V CB 0.375 31.980 31.823 -0.363 0.000 0.980 160 V HN 0.545 nan 8.190 nan 0.000 0.481 161 E N 2.962 122.999 120.200 -0.271 0.000 2.232 161 E HA 0.681 5.032 4.350 0.003 0.000 0.264 161 E C -1.525 174.836 176.600 -0.398 0.000 0.973 161 E CA -0.486 55.834 56.400 -0.133 0.000 0.849 161 E CB 1.981 31.689 29.700 0.014 0.000 1.198 161 E HN 0.485 nan 8.360 nan 0.000 0.407 162 F N 0.721 120.696 119.950 0.042 0.000 2.588 162 F HA 0.552 5.081 4.527 0.003 0.000 0.314 162 F C -0.586 175.226 175.800 0.021 0.000 1.069 162 F CA -0.890 57.127 58.000 0.030 0.000 0.931 162 F CB 1.565 40.578 39.000 0.021 0.000 1.260 162 F HN 0.162 nan 8.300 nan 0.000 0.465 163 L N 1.330 122.666 121.223 0.188 0.000 2.596 163 L HA 0.535 4.877 4.340 0.003 0.000 0.265 163 L C 0.195 177.113 176.870 0.080 0.000 0.962 163 L CA -0.128 54.773 54.840 0.102 0.000 0.891 163 L CB 1.602 43.689 42.059 0.047 0.000 1.248 163 L HN 0.862 nan 8.230 nan 0.000 0.410 164 G N 2.629 111.473 108.800 0.074 0.000 2.143 164 G HA2 -0.168 3.794 3.960 0.003 0.000 0.248 164 G HA3 -0.168 3.794 3.960 0.003 0.000 0.248 164 G C 0.912 175.849 174.900 0.060 0.000 0.991 164 G CA 0.380 45.511 45.100 0.052 0.000 0.689 164 G HN 1.837 nan 8.290 nan 0.000 0.522 165 G N -2.074 106.785 108.800 0.097 0.000 2.143 165 G HA2 -0.125 3.837 3.960 0.003 0.000 0.249 165 G HA3 -0.125 3.837 3.960 0.003 0.000 0.249 165 G C 0.059 175.079 174.900 0.199 0.000 0.981 165 G CA 1.023 46.177 45.100 0.089 0.000 0.665 165 G HN 1.223 nan 8.290 nan 0.000 0.528 166 Q N -0.209 119.732 119.800 0.235 0.000 2.342 166 Q HA 0.499 4.841 4.340 0.003 0.000 0.267 166 Q C -2.645 173.438 176.000 0.138 0.000 1.038 166 Q CA -2.116 53.793 55.803 0.177 0.000 0.832 166 Q CB 2.087 30.819 28.738 -0.009 0.000 1.323 166 Q HN 0.143 nan 8.270 nan 0.000 0.448 167 P HA 0.103 nan 4.420 nan 0.000 0.267 167 P C -0.558 176.633 177.300 -0.181 0.000 1.200 167 P CA 0.227 63.144 63.100 -0.306 0.000 0.772 167 P CB 0.531 32.168 31.700 -0.105 0.000 0.855 168 L N 1.694 122.825 121.223 -0.153 0.000 2.330 168 L HA 0.452 4.793 4.340 0.003 0.000 0.271 168 L C 0.462 177.422 176.870 0.149 0.000 1.013 168 L CA -1.089 53.735 54.840 -0.027 0.000 0.816 168 L CB 1.752 43.795 42.059 -0.025 0.000 1.287 168 L HN 0.431 nan 8.230 nan 0.000 0.435 169 C N 3.527 122.890 119.300 0.104 0.000 2.653 169 C HA 0.167 4.629 4.460 0.003 0.000 0.421 169 C C 1.277 176.405 174.990 0.231 0.000 1.334 169 C CA -0.305 58.811 59.018 0.163 0.000 1.885 169 C CB 0.006 27.802 27.740 0.093 0.000 2.645 169 C HN 0.788 nan 8.230 nan 0.000 0.601 170 M N 4.928 124.713 119.600 0.310 0.000 2.346 170 M HA 0.100 4.582 4.480 0.003 0.000 0.280 170 M C 1.471 178.034 176.300 0.439 0.000 1.075 170 M CA 0.224 55.774 55.300 0.417 0.000 0.989 170 M CB -1.613 31.192 32.600 0.340 0.000 1.447 170 M HN 0.909 nan 8.290 nan 0.000 0.511 171 N N 1.555 120.412 118.700 0.263 0.000 2.094 171 N HA -0.199 4.543 4.740 0.003 0.000 0.191 171 N C 1.579 177.224 175.510 0.226 0.000 1.023 171 N CA 1.834 55.010 53.050 0.210 0.000 0.857 171 N CB 0.107 38.639 38.487 0.074 0.000 1.013 171 N HN 0.424 nan 8.380 nan 0.000 0.426 172 Q N -1.299 118.562 119.800 0.100 0.000 2.152 172 Q HA -0.201 4.141 4.340 0.003 0.000 0.206 172 Q C 1.417 177.394 176.000 -0.039 0.000 0.985 172 Q CA 1.553 57.340 55.803 -0.028 0.000 0.863 172 Q CB -0.267 28.363 28.738 -0.180 0.000 0.904 172 Q HN 0.613 nan 8.270 nan 0.000 0.422 173 Y N -1.538 118.833 120.300 0.118 0.000 2.403 173 Y HA -0.189 4.362 4.550 0.003 0.000 0.291 173 Y C 0.819 176.651 175.900 -0.113 0.000 1.143 173 Y CA 0.812 58.919 58.100 0.012 0.000 1.257 173 Y CB 0.030 38.464 38.460 -0.044 0.000 0.984 173 Y HN 0.171 nan 8.280 nan 0.000 0.550 174 Y N -0.551 119.846 120.300 0.161 0.000 2.683 174 Y HA 0.125 4.677 4.550 0.003 0.000 0.297 174 Y C 1.126 177.070 175.900 0.073 0.000 1.147 174 Y CA -0.376 57.788 58.100 0.108 0.000 1.274 174 Y CB 0.106 38.619 38.460 0.089 0.000 1.143 174 Y HN 0.118 nan 8.280 nan 0.000 0.527 175 Q N -0.751 119.136 119.800 0.145 0.000 2.210 175 Q HA 0.206 4.548 4.340 0.003 0.000 0.252 175 Q C 1.894 177.936 176.000 0.069 0.000 0.811 175 Q CA 0.388 56.248 55.803 0.096 0.000 0.953 175 Q CB 0.466 29.247 28.738 0.072 0.000 1.136 175 Q HN 0.673 nan 8.270 nan 0.000 0.491 176 I N -2.463 118.137 120.570 0.050 0.000 2.480 176 I HA 0.093 4.265 4.170 0.003 0.000 0.251 176 I C 0.723 176.900 176.117 0.100 0.000 1.124 176 I CA 0.426 61.750 61.300 0.041 0.000 1.444 176 I CB -0.019 37.968 38.000 -0.022 0.000 1.098 176 I HN -0.128 nan 8.210 nan 0.000 0.428 177 L N 1.552 122.846 121.223 0.118 0.000 2.379 177 L HA 0.317 4.659 4.340 0.003 0.000 0.269 177 L C 0.812 177.786 176.870 0.175 0.000 1.084 177 L CA -0.584 54.357 54.840 0.168 0.000 0.802 177 L CB 1.345 43.499 42.059 0.159 0.000 1.175 177 L HN 0.206 nan 8.230 nan 0.000 0.448 178 S N 0.248 116.068 115.700 0.201 0.000 3.581 178 S HA -0.167 4.305 4.470 0.003 0.000 0.354 178 S C 0.050 174.822 174.600 0.286 0.000 1.059 178 S CA 0.939 59.267 58.200 0.212 0.000 1.060 178 S CB -1.422 61.898 63.200 0.199 0.000 0.908 178 S HN 0.885 nan 8.310 nan 0.000 0.475 179 S N -1.362 114.477 115.700 0.233 0.000 2.667 179 S HA 0.899 5.370 4.470 0.003 0.000 0.292 179 S C -0.405 174.328 174.600 0.222 0.000 1.126 179 S CA -0.347 57.975 58.200 0.202 0.000 0.881 179 S CB 2.621 65.893 63.200 0.121 0.000 1.132 179 S HN 0.989 nan 8.310 nan 0.000 0.492 180 C N 0.628 120.048 119.300 0.199 0.000 3.283 180 C HA 0.666 5.128 4.460 0.003 0.000 0.359 180 C C -0.690 174.405 174.990 0.175 0.000 1.160 180 C CA -0.482 58.671 59.018 0.225 0.000 1.232 180 C CB 1.284 29.198 27.740 0.289 0.000 1.571 180 C HN 1.241 nan 8.230 nan 0.000 0.522 181 R N 2.586 123.193 120.500 0.177 0.000 2.490 181 R HA 0.780 5.122 4.340 0.003 0.000 0.278 181 R C -1.266 175.093 176.300 0.097 0.000 1.069 181 R CA -0.166 56.006 56.100 0.119 0.000 1.080 181 R CB 0.985 31.354 30.300 0.115 0.000 1.030 181 R HN 0.630 nan 8.270 nan 0.000 0.491 182 V N 5.529 125.448 119.914 0.007 0.000 2.483 182 V HA 0.352 4.473 4.120 0.003 0.000 0.297 182 V C -2.304 173.657 176.094 -0.221 0.000 1.027 182 V CA -2.292 59.929 62.300 -0.132 0.000 0.855 182 V CB 1.717 33.500 31.823 -0.066 0.000 0.995 182 V HN 0.860 nan 8.190 nan 0.000 0.424 183 P HA 0.249 nan 4.420 nan 0.000 0.264 183 P C 0.111 177.257 177.300 -0.256 0.000 1.193 183 P CA 0.544 63.369 63.100 -0.459 0.000 0.763 183 P CB 0.566 31.650 31.700 -1.026 0.000 0.810 184 G N 3.809 112.529 108.800 -0.133 0.000 2.542 184 G HA2 0.435 4.397 3.960 0.003 0.000 0.311 184 G HA3 0.435 4.397 3.960 0.003 0.000 0.311 184 G C -2.045 172.834 174.900 -0.036 0.000 1.298 184 G CA -1.516 43.548 45.100 -0.061 0.000 0.973 184 G HN 0.172 nan 8.290 nan 0.000 0.487 185 P HA -0.150 nan 4.420 nan 0.000 0.216 185 P C 1.105 178.411 177.300 0.010 0.000 1.150 185 P CA 1.287 64.387 63.100 0.000 0.000 0.837 185 P CB 0.621 32.323 31.700 0.004 0.000 0.786 186 K N -0.522 119.883 120.400 0.008 0.000 2.273 186 K HA 0.041 4.363 4.320 0.003 0.000 0.206 186 K C 1.184 177.791 176.600 0.012 0.000 1.072 186 K CA 0.250 56.545 56.287 0.014 0.000 0.953 186 K CB 0.500 33.008 32.500 0.015 0.000 1.043 186 K HN 0.188 nan 8.250 nan 0.000 0.477 187 Q N 0.421 120.225 119.800 0.008 0.000 2.456 187 Q HA 0.318 4.660 4.340 0.003 0.000 0.283 187 Q C -1.601 174.399 176.000 0.000 0.000 1.084 187 Q CA -1.068 54.740 55.803 0.008 0.000 0.801 187 Q CB 1.962 30.711 28.738 0.018 0.000 1.434 187 Q HN -0.138 nan 8.270 nan 0.000 0.419 188 D N 1.044 121.445 120.400 0.003 0.000 2.387 188 D HA 0.503 5.144 4.640 0.003 0.000 0.251 188 D C -0.508 175.798 176.300 0.010 0.000 1.141 188 D CA -0.015 53.982 54.000 -0.006 0.000 0.987 188 D CB 1.572 42.375 40.800 0.004 0.000 1.116 188 D HN 0.652 nan 8.370 nan 0.000 0.491 189 S N -1.158 114.544 115.700 0.002 0.000 2.704 189 S HA 0.793 5.265 4.470 0.003 0.000 0.296 189 S C -1.024 173.587 174.600 0.018 0.000 1.138 189 S CA -0.775 57.432 58.200 0.013 0.000 0.875 189 S CB 1.389 64.594 63.200 0.008 0.000 1.151 189 S HN 0.139 nan 8.310 nan 0.000 0.500 190 V N 1.360 121.283 119.914 0.015 0.000 2.656 190 V HA 0.683 4.804 4.120 0.003 0.000 0.307 190 V C -0.520 175.555 176.094 -0.031 0.000 1.051 190 V CA -0.668 61.641 62.300 0.015 0.000 0.893 190 V CB 1.716 33.554 31.823 0.026 0.000 0.999 190 V HN 1.063 nan 8.190 nan 0.000 0.426 191 V N 1.642 121.524 119.914 -0.053 0.000 2.513 191 V HA 0.672 4.794 4.120 0.003 0.000 0.299 191 V C -0.464 175.425 176.094 -0.341 0.000 1.035 191 V CA -0.578 61.577 62.300 -0.242 0.000 0.889 191 V CB 1.583 33.270 31.823 -0.227 0.000 0.988 191 V HN 0.944 nan 8.190 nan 0.000 0.440 192 N N 2.509 120.902 118.700 -0.512 0.000 2.461 192 N HA 0.557 5.298 4.740 0.003 0.000 0.284 192 N C -0.823 174.413 175.510 -0.457 0.000 1.049 192 N CA -0.674 52.184 53.050 -0.320 0.000 0.889 192 N CB 1.527 39.951 38.487 -0.105 0.000 1.365 192 N HN 0.680 nan 8.380 nan 0.000 0.499 193 F N 2.819 122.808 119.950 0.065 0.000 2.653 193 F HA 0.216 4.745 4.527 0.003 0.000 0.304 193 F C 1.568 177.400 175.800 0.054 0.000 1.092 193 F CA -0.469 57.564 58.000 0.055 0.000 1.279 193 F CB 0.270 39.300 39.000 0.050 0.000 1.044 193 F HN 0.452 nan 8.300 nan 0.000 0.564 194 L N 0.891 122.225 121.223 0.184 0.000 2.127 194 L HA -0.135 4.207 4.340 0.003 0.000 0.211 194 L C 1.285 178.230 176.870 0.127 0.000 1.089 194 L CA 2.068 56.998 54.840 0.149 0.000 0.757 194 L CB -0.361 41.784 42.059 0.144 0.000 0.899 194 L HN 0.025 nan 8.230 nan 0.000 0.434 195 K N -0.791 119.677 120.400 0.113 0.000 2.646 195 K HA 0.221 4.542 4.320 0.003 0.000 0.206 195 K C 0.389 177.039 176.600 0.082 0.000 1.069 195 K CA 0.177 56.518 56.287 0.089 0.000 1.067 195 K CB 0.386 32.931 32.500 0.076 0.000 0.807 195 K HN 0.359 nan 8.250 nan 0.000 0.482 196 S N 0.056 115.826 115.700 0.118 0.000 2.614 196 S HA 0.184 4.656 4.470 0.003 0.000 0.265 196 S C 1.317 175.971 174.600 0.089 0.000 1.303 196 S CA -0.694 57.582 58.200 0.127 0.000 1.000 196 S CB 1.315 64.655 63.200 0.233 0.000 0.935 196 S HN -0.029 nan 8.310 nan 0.000 0.551 197 K N 1.230 121.676 120.400 0.076 0.000 2.049 197 K HA -0.201 4.121 4.320 0.003 0.000 0.219 197 K C 0.616 177.241 176.600 0.041 0.000 1.056 197 K CA 1.942 58.259 56.287 0.050 0.000 0.946 197 K CB -0.628 31.899 32.500 0.046 0.000 0.723 197 K HN 0.883 nan 8.250 nan 0.000 0.453 198 R N 0.694 121.222 120.500 0.047 0.000 2.402 198 R HA 0.355 4.697 4.340 0.003 0.000 0.290 198 R C -2.806 173.517 176.300 0.039 0.000 1.321 198 R CA -1.791 54.327 56.100 0.030 0.000 1.283 198 R CB 0.252 30.564 30.300 0.020 0.000 1.111 198 R HN -0.128 nan 8.270 nan 0.000 0.578 199 P HA 0.015 nan 4.420 nan 0.000 0.264 199 P C -2.269 175.046 177.300 0.025 0.000 1.179 199 P CA -0.599 62.529 63.100 0.047 0.000 0.763 199 P CB 0.115 31.825 31.700 0.016 0.000 0.806 200 P HA 0.033 nan 4.420 nan 0.000 0.268 200 P C 0.470 177.786 177.300 0.027 0.000 1.204 200 P CA 0.314 63.422 63.100 0.013 0.000 0.768 200 P CB 0.266 31.904 31.700 -0.103 0.000 0.842 201 T N -1.666 112.955 114.554 0.111 0.000 3.200 201 T HA 0.220 4.572 4.350 0.003 0.000 0.284 201 T C 0.112 174.968 174.700 0.259 0.000 1.009 201 T CA -0.357 61.895 62.100 0.253 0.000 0.907 201 T CB -0.875 68.120 68.868 0.212 0.000 1.120 201 T HN 0.591 nan 8.240 nan 0.000 0.534 202 H N 0.196 119.299 119.070 0.055 0.000 2.797 202 H HA 0.804 5.361 4.556 0.003 0.000 0.372 202 H C -0.431 174.832 175.328 -0.109 0.000 1.168 202 H CA -1.494 54.533 56.048 -0.034 0.000 1.163 202 H CB 1.369 31.103 29.762 -0.046 0.000 1.778 202 H HN 0.346 nan 8.280 nan 0.000 0.551 203 I N -0.770 119.683 120.570 -0.194 0.000 3.133 203 I HA 0.717 4.889 4.170 0.003 0.000 0.311 203 I C -0.777 175.293 176.117 -0.079 0.000 1.072 203 I CA -1.133 59.947 61.300 -0.366 0.000 1.015 203 I CB 2.615 40.175 38.000 -0.734 0.000 1.233 203 I HN 0.815 nan 8.210 nan 0.000 0.473 204 T N 0.553 115.061 114.554 -0.076 0.000 2.829 204 T HA 0.737 5.088 4.350 0.003 0.000 0.280 204 T C -0.545 174.226 174.700 0.119 0.000 0.999 204 T CA -0.679 61.480 62.100 0.099 0.000 0.983 204 T CB 1.629 70.591 68.868 0.157 0.000 0.968 204 T HN 0.478 nan 8.240 nan 0.000 0.446 205 V N 2.886 122.914 119.914 0.189 0.000 2.495 205 V HA 0.588 4.710 4.120 0.003 0.000 0.298 205 V C -0.365 175.862 176.094 0.223 0.000 1.031 205 V CA -0.847 61.552 62.300 0.166 0.000 0.871 205 V CB 1.840 33.715 31.823 0.086 0.000 0.988 205 V HN 0.919 nan 8.190 nan 0.000 0.432 206 V N 3.641 123.621 119.914 0.109 0.000 2.409 206 V HA 0.567 4.688 4.120 0.003 0.000 0.291 206 V C -0.772 175.358 176.094 0.059 0.000 1.020 206 V CA -0.588 61.672 62.300 -0.067 0.000 0.848 206 V CB 1.376 33.000 31.823 -0.332 0.000 0.990 206 V HN 0.977 nan 8.190 nan 0.000 0.430 207 H N 4.587 123.622 119.070 -0.058 0.000 2.840 207 H HA 0.443 5.001 4.556 0.003 0.000 0.340 207 H C 0.231 175.438 175.328 -0.202 0.000 1.004 207 H CA -0.697 55.255 56.048 -0.160 0.000 1.288 207 H CB 0.989 30.588 29.762 -0.272 0.000 1.607 207 H HN 0.635 nan 8.280 nan 0.000 0.522 208 N N 5.082 123.391 118.700 -0.652 0.000 2.740 208 N HA -0.253 4.488 4.740 0.003 0.000 0.248 208 N C -0.387 174.812 175.510 -0.518 0.000 1.062 208 N CA 1.572 54.149 53.050 -0.789 0.000 0.704 208 N CB -1.639 36.309 38.487 -0.898 0.000 0.968 208 N HN 0.991 nan 8.380 nan 0.000 0.547 209 Y N -4.054 116.125 120.300 -0.200 0.000 4.929 209 Y HA -0.378 4.173 4.550 0.002 0.000 0.253 209 Y C 0.591 176.380 175.900 -0.184 0.000 0.946 209 Y CA 0.557 58.559 58.100 -0.164 0.000 1.905 209 Y CB -1.470 36.955 38.460 -0.058 0.000 1.400 209 Y HN 0.338 nan 8.280 nan 0.000 0.531 210 Q N 0.807 120.570 119.800 -0.063 0.000 2.278 210 Q HA 0.496 4.838 4.340 0.003 0.000 0.257 210 Q C -0.783 175.134 176.000 -0.139 0.000 0.928 210 Q CA -0.605 55.173 55.803 -0.042 0.000 0.932 210 Q CB 0.887 29.619 28.738 -0.010 0.000 1.221 210 Q HN 0.112 nan 8.270 nan 0.000 0.434 211 F N 2.142 122.063 119.950 -0.050 0.000 2.399 211 F HA 0.488 5.017 4.527 0.002 0.000 0.334 211 F C -0.324 175.286 175.800 -0.318 0.000 1.097 211 F CA -0.412 57.577 58.000 -0.017 0.000 1.076 211 F CB 0.731 39.742 39.000 0.018 0.000 1.162 211 F HN 0.383 nan 8.300 nan 0.000 0.495 212 F N 0.397 120.442 119.950 0.158 0.000 2.576 212 F HA 0.326 4.854 4.527 0.002 0.000 0.313 212 F C -0.178 175.645 175.800 0.038 0.000 1.078 212 F CA -1.209 56.826 58.000 0.059 0.000 0.921 212 F CB 1.810 40.827 39.000 0.028 0.000 1.232 212 F HN 0.374 nan 8.300 nan 0.000 0.459 213 E N 2.956 123.244 120.200 0.146 0.000 2.081 213 E HA 0.458 4.810 4.350 0.003 0.000 0.281 213 E C -1.741 174.898 176.600 0.066 0.000 0.986 213 E CA -0.698 55.731 56.400 0.049 0.000 0.796 213 E CB 1.023 30.641 29.700 -0.138 0.000 1.085 213 E HN 0.568 nan 8.360 nan 0.000 0.398 214 L N 5.453 126.727 121.223 0.086 0.000 2.319 214 L HA 0.374 4.715 4.340 0.003 0.000 0.281 214 L C -1.012 175.876 176.870 0.030 0.000 1.005 214 L CA -0.512 54.347 54.840 0.032 0.000 0.828 214 L CB 1.523 43.575 42.059 -0.012 0.000 1.227 214 L HN 0.456 nan 8.230 nan 0.000 0.415 215 D N 3.961 124.374 120.400 0.021 0.000 2.383 215 D HA 0.133 4.775 4.640 0.003 0.000 0.252 215 D C 0.892 177.150 176.300 -0.071 0.000 1.166 215 D CA 0.284 54.302 54.000 0.030 0.000 0.879 215 D CB 1.978 42.797 40.800 0.032 0.000 1.164 215 D HN 0.522 nan 8.370 nan 0.000 0.462 216 V N 0.834 120.670 119.914 -0.129 0.000 3.376 216 V HA 0.284 4.405 4.120 0.003 0.000 0.313 216 V C -0.471 175.295 176.094 -0.547 0.000 1.393 216 V CA -0.114 61.985 62.300 -0.334 0.000 1.125 216 V CB -0.874 30.706 31.823 -0.405 0.000 1.037 216 V HN 0.257 nan 8.190 nan 0.000 0.440 217 Y N -0.321 119.894 120.300 -0.141 0.000 2.499 217 Y HA 0.711 5.263 4.550 0.003 0.000 0.347 217 Y C 0.702 176.506 175.900 -0.160 0.000 0.987 217 Y CA -1.090 56.928 58.100 -0.138 0.000 1.044 217 Y CB 1.351 39.787 38.460 -0.040 0.000 1.245 217 Y HN 0.097 nan 8.280 nan 0.000 0.461 218 H N -0.115 119.065 119.070 0.183 0.000 2.509 218 H HA 0.210 4.767 4.556 0.003 0.000 0.360 218 H C 0.712 176.096 175.328 0.093 0.000 1.398 218 H CA 0.281 56.391 56.048 0.103 0.000 1.429 218 H CB 1.164 30.971 29.762 0.075 0.000 1.611 218 H HN 0.701 nan 8.280 nan 0.000 0.606 219 S N 0.277 116.107 115.700 0.216 0.000 2.348 219 S HA -0.195 4.277 4.470 0.003 0.000 0.221 219 S C 1.487 176.144 174.600 0.095 0.000 1.033 219 S CA 1.755 60.025 58.200 0.116 0.000 1.010 219 S CB -0.392 62.855 63.200 0.079 0.000 0.891 219 S HN 0.743 nan 8.310 nan 0.000 0.442 220 D N 0.647 121.106 120.400 0.099 0.000 2.265 220 D HA 0.081 4.722 4.640 0.003 0.000 0.208 220 D C 1.342 177.686 176.300 0.074 0.000 0.977 220 D CA 1.175 55.216 54.000 0.069 0.000 0.871 220 D CB -0.618 40.215 40.800 0.054 0.000 0.925 220 D HN 0.527 nan 8.370 nan 0.000 0.485 221 G N -0.825 108.044 108.800 0.114 0.000 2.211 221 G HA2 -0.219 3.743 3.960 0.003 0.000 0.201 221 G HA3 -0.219 3.743 3.960 0.003 0.000 0.201 221 G C 0.467 175.467 174.900 0.166 0.000 0.997 221 G CA 0.161 45.309 45.100 0.079 0.000 0.652 221 G HN 0.816 nan 8.290 nan 0.000 0.500 222 T N 0.908 115.596 114.554 0.224 0.000 2.913 222 T HA 0.617 4.968 4.350 0.003 0.000 0.297 222 T C -2.005 172.894 174.700 0.332 0.000 1.029 222 T CA -1.067 61.189 62.100 0.261 0.000 1.104 222 T CB 2.299 71.298 68.868 0.219 0.000 0.964 222 T HN 0.238 nan 8.240 nan 0.000 0.532 223 P HA 0.261 nan 4.420 nan 0.000 0.275 223 P C -0.331 176.912 177.300 -0.095 0.000 1.228 223 P CA -0.722 62.344 63.100 -0.056 0.000 0.786 223 P CB 0.639 32.274 31.700 -0.109 0.000 0.927 224 L N 2.348 123.385 121.223 -0.310 0.000 2.482 224 L HA 0.157 4.499 4.340 0.003 0.000 0.273 224 L C 1.650 178.489 176.870 -0.052 0.000 1.228 224 L CA 0.900 55.605 54.840 -0.225 0.000 0.827 224 L CB -0.361 41.523 42.059 -0.292 0.000 1.099 224 L HN 0.513 nan 8.230 nan 0.000 0.494 225 T N -2.202 112.377 114.554 0.041 0.000 2.847 225 T HA 0.250 4.601 4.350 0.003 0.000 0.279 225 T C 1.283 176.004 174.700 0.035 0.000 0.984 225 T CA -0.133 61.998 62.100 0.051 0.000 0.988 225 T CB 0.863 69.775 68.868 0.073 0.000 1.040 225 T HN 0.656 nan 8.240 nan 0.000 0.528 226 S N 0.020 115.749 115.700 0.048 0.000 2.383 226 S HA -0.209 4.263 4.470 0.003 0.000 0.229 226 S C 1.617 176.256 174.600 0.064 0.000 1.030 226 S CA 1.521 59.749 58.200 0.048 0.000 1.002 226 S CB -0.879 62.351 63.200 0.050 0.000 0.829 226 S HN 0.844 nan 8.310 nan 0.000 0.467 227 D N 1.303 121.734 120.400 0.051 0.000 2.117 227 D HA -0.100 4.542 4.640 0.003 0.000 0.198 227 D C 2.240 178.617 176.300 0.128 0.000 0.982 227 D CA 1.362 55.403 54.000 0.069 0.000 0.828 227 D CB -0.391 40.427 40.800 0.031 0.000 0.967 227 D HN 0.586 nan 8.370 nan 0.000 0.464 228 Q N -0.412 119.440 119.800 0.087 0.000 2.084 228 Q HA -0.060 4.282 4.340 0.003 0.000 0.202 228 Q C 2.449 178.474 176.000 0.042 0.000 0.978 228 Q CA 1.008 56.855 55.803 0.072 0.000 0.844 228 Q CB 0.019 28.801 28.738 0.074 0.000 0.898 228 Q HN 0.418 nan 8.270 nan 0.000 0.426 229 I N -0.139 120.449 120.570 0.029 0.000 2.315 229 I HA -0.249 3.922 4.170 0.003 0.000 0.248 229 I C 2.087 178.213 176.117 0.015 0.000 1.117 229 I CA 0.845 62.140 61.300 -0.008 0.000 1.404 229 I CB -0.265 37.721 38.000 -0.023 0.000 1.071 229 I HN 0.195 nan 8.210 nan 0.000 0.419 230 F N 1.724 121.635 119.950 -0.065 0.000 2.095 230 F HA -0.236 4.293 4.527 0.003 0.000 0.298 230 F C 2.371 178.127 175.800 -0.074 0.000 1.104 230 F CA 1.754 59.708 58.000 -0.076 0.000 1.232 230 F CB -0.499 38.460 39.000 -0.068 0.000 0.987 230 F HN -0.227 nan 8.300 nan 0.000 0.475 231 V N 0.673 120.569 119.914 -0.030 0.000 2.332 231 V HA -0.333 3.789 4.120 0.003 0.000 0.248 231 V C 2.464 178.447 176.094 -0.184 0.000 1.055 231 V CA 2.093 64.325 62.300 -0.114 0.000 1.038 231 V CB -0.845 30.990 31.823 0.020 0.000 0.651 231 V HN 0.404 nan 8.190 nan 0.000 0.450 232 Q N -0.368 119.350 119.800 -0.136 0.000 2.079 232 Q HA -0.054 4.287 4.340 0.003 0.000 0.200 232 Q C 2.306 178.189 176.000 -0.196 0.000 0.974 232 Q CA 1.374 57.097 55.803 -0.133 0.000 0.840 232 Q CB -0.445 28.237 28.738 -0.093 0.000 0.898 232 Q HN 0.559 nan 8.270 nan 0.000 0.430 233 L N 0.771 121.849 121.223 -0.242 0.000 2.131 233 L HA -0.192 4.149 4.340 0.003 0.000 0.210 233 L C 2.280 178.969 176.870 -0.301 0.000 1.092 233 L CA 1.120 55.803 54.840 -0.261 0.000 0.759 233 L CB -0.412 41.494 42.059 -0.255 0.000 0.903 233 L HN 0.271 nan 8.230 nan 0.000 0.435 234 E N 0.408 120.355 120.200 -0.421 0.000 2.051 234 E HA -0.219 4.133 4.350 0.003 0.000 0.192 234 E C 2.183 178.678 176.600 -0.175 0.000 0.991 234 E CA 1.134 57.320 56.400 -0.358 0.000 0.799 234 E CB -0.021 29.415 29.700 -0.440 0.000 0.748 234 E HN 0.473 nan 8.360 nan 0.000 0.449 235 K N 0.667 120.963 120.400 -0.173 0.000 2.032 235 K HA -0.158 4.164 4.320 0.003 0.000 0.209 235 K C 2.223 178.719 176.600 -0.173 0.000 1.048 235 K CA 1.263 57.477 56.287 -0.120 0.000 0.927 235 K CB -0.255 32.186 32.500 -0.099 0.000 0.712 235 K HN 0.114 nan 8.250 nan 0.000 0.441 236 I N 0.256 120.645 120.570 -0.302 0.000 2.163 236 I HA -0.302 3.870 4.170 0.003 0.000 0.243 236 I C 2.426 178.237 176.117 -0.511 0.000 1.085 236 I CA 1.152 62.049 61.300 -0.671 0.000 1.347 236 I CB -0.347 37.242 38.000 -0.686 0.000 1.044 236 I HN 0.437 nan 8.210 nan 0.000 0.408 237 W N 2.359 123.401 121.300 -0.430 0.000 2.363 237 W HA -0.198 4.464 4.660 0.003 0.000 0.296 237 W C 2.042 178.495 176.519 -0.109 0.000 1.212 237 W CA 1.517 58.669 57.345 -0.322 0.000 1.260 237 W CB -0.436 28.781 29.460 -0.406 0.000 1.131 237 W HN 0.242 nan 8.180 nan 0.000 0.530 238 N N -0.019 118.771 118.700 0.149 0.000 2.457 238 N HA -0.085 4.657 4.740 0.003 0.000 0.180 238 N C 1.527 177.071 175.510 0.057 0.000 1.050 238 N CA 1.186 54.311 53.050 0.125 0.000 0.906 238 N CB -0.461 38.079 38.487 0.089 0.000 0.968 238 N HN -0.041 nan 8.380 nan 0.000 0.445 239 S N -0.186 115.529 115.700 0.025 0.000 2.593 239 S HA 0.040 4.511 4.470 0.003 0.000 0.217 239 S C 0.746 175.470 174.600 0.207 0.000 0.966 239 S CA -0.015 58.257 58.200 0.120 0.000 0.914 239 S CB 0.088 63.411 63.200 0.204 0.000 0.776 239 S HN 0.387 nan 8.310 nan 0.000 0.523 240 S N 0.167 115.931 115.700 0.107 0.000 2.598 240 S HA 0.372 4.843 4.470 0.003 0.000 0.209 240 S C 0.508 175.003 174.600 -0.175 0.000 1.029 240 S CA -0.498 57.732 58.200 0.050 0.000 1.172 240 S CB -0.649 62.673 63.200 0.202 0.000 1.427 240 S HN 0.228 nan 8.310 nan 0.000 0.418 241 L N 0.419 121.575 121.223 -0.111 0.000 2.217 241 L HA 0.144 4.486 4.340 0.003 0.000 0.211 241 L C 1.482 178.250 176.870 -0.170 0.000 1.107 241 L CA 1.033 55.797 54.840 -0.125 0.000 0.783 241 L CB -0.070 41.990 42.059 0.002 0.000 0.919 241 L HN 0.556 nan 8.230 nan 0.000 0.442 242 Q N -0.499 119.207 119.800 -0.157 0.000 2.266 242 Q HA 0.186 4.528 4.340 0.003 0.000 0.261 242 Q C -0.374 175.488 176.000 -0.230 0.000 0.985 242 Q CA -0.241 55.468 55.803 -0.156 0.000 0.873 242 Q CB 2.055 30.744 28.738 -0.082 0.000 1.306 242 Q HN -0.118 nan 8.270 nan 0.000 0.447 243 S N 2.310 117.860 115.700 -0.251 0.000 2.979 243 S HA 0.094 4.566 4.470 0.003 0.000 0.210 243 S C 0.467 174.969 174.600 -0.163 0.000 1.364 243 S CA -0.404 57.593 58.200 -0.337 0.000 1.208 243 S CB -0.382 62.525 63.200 -0.489 0.000 1.167 243 S HN 0.683 nan 8.310 nan 0.000 0.519 244 N N 1.034 119.680 118.700 -0.090 0.000 2.405 244 N HA 0.023 4.764 4.740 0.003 0.000 0.175 244 N C -0.011 175.515 175.510 0.026 0.000 1.051 244 N CA -0.068 52.969 53.050 -0.022 0.000 0.899 244 N CB -0.023 38.453 38.487 -0.019 0.000 1.000 244 N HN 0.202 nan 8.380 nan 0.000 0.451 245 K N 1.738 122.159 120.400 0.036 0.000 2.319 245 K HA 0.107 4.429 4.320 0.003 0.000 0.265 245 K C 0.353 177.049 176.600 0.159 0.000 1.000 245 K CA -0.105 56.236 56.287 0.091 0.000 0.943 245 K CB 0.740 33.299 32.500 0.098 0.000 0.950 245 K HN 0.158 nan 8.250 nan 0.000 0.485 246 E N 3.072 123.350 120.200 0.130 0.000 2.360 246 E HA 0.051 4.402 4.350 0.003 0.000 0.269 246 E C -1.932 174.727 176.600 0.097 0.000 1.022 246 E CA -1.742 54.717 56.400 0.099 0.000 0.887 246 E CB 0.345 30.076 29.700 0.052 0.000 0.990 246 E HN 0.232 nan 8.360 nan 0.000 0.426 247 P HA 0.025 nan 4.420 nan 0.000 0.235 247 P C 0.919 178.144 177.300 -0.124 0.000 1.765 247 P CA 0.046 63.012 63.100 -0.224 0.000 1.034 247 P CB -0.050 31.208 31.700 -0.736 0.000 1.984 248 V N 1.955 121.848 119.914 -0.036 0.000 2.370 248 V HA -0.236 3.886 4.120 0.003 0.000 0.252 248 V C 2.793 178.816 176.094 -0.118 0.000 1.068 248 V CA 2.621 64.837 62.300 -0.140 0.000 1.061 248 V CB -1.639 29.922 31.823 -0.437 0.000 0.656 248 V HN 0.404 nan 8.190 nan 0.000 0.455 249 G N -0.817 108.055 108.800 0.120 0.000 2.498 249 G HA2 -0.239 3.723 3.960 0.003 0.000 0.219 249 G HA3 -0.239 3.723 3.960 0.003 0.000 0.219 249 G C 1.548 176.327 174.900 -0.201 0.000 1.119 249 G CA 0.687 45.854 45.100 0.111 0.000 0.766 249 G HN 0.552 nan 8.290 nan 0.000 0.552 250 I N 0.188 120.641 120.570 -0.196 0.000 2.830 250 I HA 0.014 4.185 4.170 0.003 0.000 0.263 250 I C 2.257 178.167 176.117 -0.345 0.000 1.230 250 I CA 0.284 61.465 61.300 -0.200 0.000 1.480 250 I CB 0.110 37.996 38.000 -0.190 0.000 1.095 250 I HN 0.133 nan 8.210 nan 0.000 0.455 251 L N 0.254 121.173 121.223 -0.508 0.000 2.191 251 L HA -0.179 4.163 4.340 0.003 0.000 0.212 251 L C 2.414 178.480 176.870 -1.341 0.000 1.103 251 L CA 1.705 56.113 54.840 -0.720 0.000 0.769 251 L CB -0.924 40.736 42.059 -0.664 0.000 0.908 251 L HN 0.412 nan 8.230 nan 0.000 0.438 252 T N -4.363 109.325 114.554 -1.445 0.000 3.160 252 T HA -0.045 4.306 4.350 0.003 0.000 0.257 252 T C 1.612 175.890 174.700 -0.703 0.000 1.147 252 T CA 0.758 61.955 62.100 -1.506 0.000 1.064 252 T CB -0.193 68.002 68.868 -1.123 0.000 0.949 252 T HN 0.400 nan 8.240 nan 0.000 0.526 253 S N -0.415 114.982 115.700 -0.504 0.000 2.540 253 S HA 0.226 4.698 4.470 0.003 0.000 0.218 253 S C 0.725 175.144 174.600 -0.302 0.000 0.977 253 S CA -0.720 57.230 58.200 -0.415 0.000 0.918 253 S CB -0.277 62.689 63.200 -0.391 0.000 0.806 253 S HN 0.380 nan 8.310 nan 0.000 0.496 254 N N 1.877 120.416 118.700 -0.268 0.000 2.364 254 N HA 0.171 4.913 4.740 0.003 0.000 0.264 254 N C -0.309 175.193 175.510 -0.014 0.000 1.263 254 N CA -0.286 52.704 53.050 -0.100 0.000 0.959 254 N CB 0.269 38.729 38.487 -0.044 0.000 1.204 254 N HN 0.433 nan 8.380 nan 0.000 0.550 255 H N 0.675 119.725 119.070 -0.034 0.000 3.016 255 H HA 0.020 4.578 4.556 0.003 0.000 0.345 255 H C 1.229 176.578 175.328 0.035 0.000 1.066 255 H CA 0.394 56.422 56.048 -0.032 0.000 1.390 255 H CB 0.742 30.479 29.762 -0.040 0.000 1.344 255 H HN 0.335 nan 8.280 nan 0.000 0.605 256 R N 3.022 123.333 120.500 -0.315 0.000 2.096 256 R HA -0.126 4.216 4.340 0.003 0.000 0.235 256 R C 1.556 177.911 176.300 0.092 0.000 1.127 256 R CA 1.029 57.095 56.100 -0.057 0.000 0.968 256 R CB -0.606 29.592 30.300 -0.170 0.000 0.861 256 R HN 0.696 nan 8.270 nan 0.000 0.440 257 N N 0.186 119.043 118.700 0.261 0.000 2.084 257 N HA -0.095 4.647 4.740 0.003 0.000 0.190 257 N C 1.616 177.228 175.510 0.170 0.000 1.030 257 N CA 1.805 54.989 53.050 0.223 0.000 0.849 257 N CB -0.357 38.280 38.487 0.250 0.000 1.012 257 N HN 0.209 nan 8.380 nan 0.000 0.423 258 T N 0.451 115.139 114.554 0.224 0.000 2.777 258 T HA -0.135 4.217 4.350 0.003 0.000 0.266 258 T C 1.527 176.372 174.700 0.240 0.000 1.040 258 T CA 0.703 62.905 62.100 0.170 0.000 1.141 258 T CB -0.359 68.597 68.868 0.147 0.000 0.868 258 T HN 0.490 nan 8.240 nan 0.000 0.444 259 W N 1.849 123.163 121.300 0.023 0.000 2.363 259 W HA -0.098 4.563 4.660 0.003 0.000 0.296 259 W C 2.470 179.021 176.519 0.054 0.000 1.212 259 W CA 0.598 57.944 57.345 0.001 0.000 1.260 259 W CB -0.164 29.258 29.460 -0.064 0.000 1.131 259 W HN 0.296 nan 8.180 nan 0.000 0.530 260 A N 1.044 123.815 122.820 -0.081 0.000 1.883 260 A HA -0.293 4.028 4.320 0.003 0.000 0.217 260 A C 1.980 179.506 177.584 -0.096 0.000 1.186 260 A CA 2.215 54.131 52.037 -0.201 0.000 0.624 260 A CB -0.998 17.953 19.000 -0.081 0.000 0.822 260 A HN 0.402 nan 8.150 nan 0.000 0.444 261 K N -0.607 119.788 120.400 -0.007 0.000 2.062 261 K HA 0.023 4.345 4.320 0.003 0.000 0.205 261 K C 2.158 178.771 176.600 0.021 0.000 1.051 261 K CA 1.060 57.354 56.287 0.010 0.000 0.941 261 K CB -0.311 32.207 32.500 0.031 0.000 0.719 261 K HN 0.344 nan 8.250 nan 0.000 0.440 262 A N 0.355 123.231 122.820 0.093 0.000 1.933 262 A HA -0.190 4.132 4.320 0.003 0.000 0.218 262 A C 2.029 179.672 177.584 0.099 0.000 1.175 262 A CA 1.332 53.467 52.037 0.164 0.000 0.628 262 A CB -0.816 18.395 19.000 0.351 0.000 0.814 262 A HN 0.595 nan 8.150 nan 0.000 0.444 263 Y N 1.222 121.320 120.300 -0.337 0.000 2.145 263 Y HA -0.205 4.346 4.550 0.003 0.000 0.286 263 Y C 2.293 178.053 175.900 -0.232 0.000 1.145 263 Y CA 1.935 59.670 58.100 -0.608 0.000 1.148 263 Y CB -0.367 37.300 38.460 -1.323 0.000 0.981 263 Y HN 0.410 nan 8.280 nan 0.000 0.507 264 N N 0.686 119.247 118.700 -0.232 0.000 2.205 264 N HA -0.248 4.493 4.740 0.003 0.000 0.186 264 N C 1.552 176.956 175.510 -0.177 0.000 1.015 264 N CA 1.645 54.563 53.050 -0.220 0.000 0.862 264 N CB -0.459 37.983 38.487 -0.076 0.000 0.986 264 N HN 0.558 nan 8.380 nan 0.000 0.429 265 N N 0.438 119.077 118.700 -0.103 0.000 2.173 265 N HA -0.099 4.642 4.740 0.003 0.000 0.184 265 N C 1.893 177.372 175.510 -0.052 0.000 1.025 265 N CA 0.591 53.610 53.050 -0.053 0.000 0.852 265 N CB -0.410 38.073 38.487 -0.006 0.000 0.998 265 N HN 0.146 nan 8.380 nan 0.000 0.427 266 L N 1.297 122.493 121.223 -0.045 0.000 2.043 266 L HA -0.092 4.250 4.340 0.003 0.000 0.212 266 L C 1.656 178.516 176.870 -0.018 0.000 1.075 266 L CA 1.648 56.494 54.840 0.010 0.000 0.752 266 L CB -0.682 41.433 42.059 0.094 0.000 0.891 266 L HN 0.509 nan 8.230 nan 0.000 0.432 267 I N -4.330 116.139 120.570 -0.168 0.000 3.646 267 I HA -0.007 4.165 4.170 0.003 0.000 0.301 267 I C 1.722 177.780 176.117 -0.098 0.000 1.276 267 I CA 0.351 61.559 61.300 -0.153 0.000 1.254 267 I CB -0.616 37.187 38.000 -0.330 0.000 1.020 267 I HN 0.130 nan 8.210 nan 0.000 0.473 268 K N 1.181 121.539 120.400 -0.070 0.000 2.365 268 K HA -0.044 4.278 4.320 0.003 0.000 0.199 268 K C 0.345 176.932 176.600 -0.023 0.000 1.045 268 K CA 0.550 56.810 56.287 -0.045 0.000 0.962 268 K CB -0.118 32.362 32.500 -0.034 0.000 0.759 268 K HN 0.454 nan 8.250 nan 0.000 0.469 269 D N 0.603 120.999 120.400 -0.007 0.000 2.256 269 D HA 0.014 4.656 4.640 0.003 0.000 0.250 269 D C 0.857 177.151 176.300 -0.010 0.000 1.093 269 D CA -0.162 53.839 54.000 0.003 0.000 0.882 269 D CB 1.306 42.124 40.800 0.031 0.000 1.185 269 D HN -0.175 nan 8.370 nan 0.000 0.437 270 K N 2.305 122.694 120.400 -0.019 0.000 2.032 270 K HA -0.144 4.177 4.320 0.003 0.000 0.209 270 K C 1.504 178.073 176.600 -0.051 0.000 1.048 270 K CA 1.388 57.655 56.287 -0.033 0.000 0.927 270 K CB -0.059 32.422 32.500 -0.032 0.000 0.712 270 K HN 0.418 nan 8.250 nan 0.000 0.441 271 V N 1.995 121.877 119.914 -0.053 0.000 2.295 271 V HA -0.256 3.866 4.120 0.003 0.000 0.246 271 V C 1.960 177.972 176.094 -0.136 0.000 1.049 271 V CA 2.044 64.286 62.300 -0.097 0.000 1.024 271 V CB -0.795 30.977 31.823 -0.085 0.000 0.648 271 V HN 0.390 nan 8.190 nan 0.000 0.447 272 N N 0.403 119.077 118.700 -0.042 0.000 2.043 272 N HA -0.203 4.539 4.740 0.003 0.000 0.193 272 N C 1.950 177.472 175.510 0.020 0.000 1.037 272 N CA 1.785 54.871 53.050 0.061 0.000 0.851 272 N CB -0.530 38.105 38.487 0.248 0.000 1.027 272 N HN 0.444 nan 8.380 nan 0.000 0.422 273 R N 1.072 121.567 120.500 -0.007 0.000 2.105 273 R HA -0.113 4.229 4.340 0.003 0.000 0.239 273 R C 1.973 178.236 176.300 -0.062 0.000 1.135 273 R CA 1.474 57.558 56.100 -0.026 0.000 0.967 273 R CB -0.100 30.176 30.300 -0.040 0.000 0.861 273 R HN 0.374 nan 8.270 nan 0.000 0.442 274 E N -0.419 119.718 120.200 -0.105 0.000 2.072 274 E HA -0.137 4.215 4.350 0.003 0.000 0.191 274 E C 1.655 178.131 176.600 -0.208 0.000 0.985 274 E CA 1.486 57.801 56.400 -0.140 0.000 0.801 274 E CB 0.071 29.686 29.700 -0.143 0.000 0.750 274 E HN 0.298 nan 8.360 nan 0.000 0.452 275 S N -0.079 115.437 115.700 -0.306 0.000 2.368 275 S HA -0.120 4.351 4.470 0.003 0.000 0.224 275 S C 2.024 176.408 174.600 -0.361 0.000 1.029 275 S CA 1.032 58.956 58.200 -0.459 0.000 0.988 275 S CB -0.109 62.506 63.200 -0.975 0.000 0.838 275 S HN 0.143 nan 8.310 nan 0.000 0.462 276 V N 3.305 123.102 119.914 -0.194 0.000 2.295 276 V HA -0.201 3.921 4.120 0.003 0.000 0.246 276 V C 2.446 178.462 176.094 -0.131 0.000 1.049 276 V CA 1.744 63.963 62.300 -0.135 0.000 1.024 276 V CB -0.767 31.165 31.823 0.181 0.000 0.648 276 V HN 0.574 nan 8.190 nan 0.000 0.447 277 N N -0.082 118.571 118.700 -0.078 0.000 2.104 277 N HA -0.213 4.528 4.740 0.003 0.000 0.190 277 N C 2.161 177.588 175.510 -0.137 0.000 1.024 277 N CA 1.939 54.944 53.050 -0.076 0.000 0.853 277 N CB -0.060 38.381 38.487 -0.076 0.000 1.008 277 N HN 0.461 nan 8.380 nan 0.000 0.424 278 S N 0.528 116.128 115.700 -0.167 0.000 2.368 278 S HA -0.048 4.424 4.470 0.003 0.000 0.225 278 S C 2.189 176.774 174.600 -0.026 0.000 1.030 278 S CA 0.811 58.934 58.200 -0.128 0.000 0.999 278 S CB -0.251 62.814 63.200 -0.224 0.000 0.844 278 S HN 0.356 nan 8.310 nan 0.000 0.459 279 I N 1.282 121.728 120.570 -0.208 0.000 2.179 279 I HA -0.233 3.938 4.170 0.003 0.000 0.242 279 I C 2.807 178.826 176.117 -0.163 0.000 1.088 279 I CA 1.549 62.673 61.300 -0.294 0.000 1.357 279 I CB -0.505 37.002 38.000 -0.823 0.000 1.051 279 I HN 0.435 nan 8.210 nan 0.000 0.409 280 Q N 0.682 120.414 119.800 -0.113 0.000 2.124 280 Q HA -0.223 4.118 4.340 0.003 0.000 0.202 280 Q C 2.105 178.166 176.000 0.102 0.000 0.977 280 Q CA 1.386 57.238 55.803 0.082 0.000 0.850 280 Q CB -0.145 28.707 28.738 0.190 0.000 0.901 280 Q HN 0.501 nan 8.270 nan 0.000 0.429 281 K N 0.954 121.276 120.400 -0.130 0.000 2.243 281 K HA 0.010 4.332 4.320 0.003 0.000 0.201 281 K C 0.906 177.393 176.600 -0.188 0.000 1.051 281 K CA 0.370 56.464 56.287 -0.322 0.000 0.970 281 K CB 0.115 32.302 32.500 -0.520 0.000 0.755 281 K HN 0.135 nan 8.250 nan 0.000 0.465 282 S N 0.939 116.511 115.700 -0.215 0.000 2.561 282 S HA -0.056 4.416 4.470 0.003 0.000 0.294 282 S C 1.264 175.744 174.600 -0.201 0.000 1.294 282 S CA -0.226 57.701 58.200 -0.456 0.000 1.055 282 S CB 0.204 63.283 63.200 -0.202 0.000 0.819 282 S HN 0.135 nan 8.310 nan 0.000 0.503 283 I N 1.501 121.931 120.570 -0.233 0.000 2.264 283 I HA -0.029 4.143 4.170 0.003 0.000 0.248 283 I C 0.714 177.000 176.117 0.281 0.000 1.111 283 I CA 1.354 62.684 61.300 0.051 0.000 1.382 283 I CB -0.566 37.501 38.000 0.111 0.000 1.060 283 I HN 0.835 nan 8.210 nan 0.000 0.418 284 F N -2.991 116.994 119.950 0.058 0.000 2.829 284 F HA 0.450 4.979 4.527 0.003 0.000 0.319 284 F C -1.066 174.824 175.800 0.150 0.000 1.153 284 F CA -1.248 56.836 58.000 0.140 0.000 0.912 284 F CB 0.579 39.715 39.000 0.227 0.000 1.292 284 F HN -0.495 nan 8.300 nan 0.000 0.447 285 T N 1.927 116.704 114.554 0.372 0.000 2.859 285 T HA 0.684 5.036 4.350 0.003 0.000 0.281 285 T C -1.053 173.889 174.700 0.402 0.000 1.005 285 T CA -0.692 61.569 62.100 0.268 0.000 1.025 285 T CB 1.860 70.892 68.868 0.274 0.000 0.977 285 T HN 0.602 nan 8.240 nan 0.000 0.458 286 V N 2.463 122.543 119.914 0.275 0.000 2.409 286 V HA 0.312 4.434 4.120 0.003 0.000 0.291 286 V C -0.248 175.975 176.094 0.215 0.000 1.020 286 V CA -0.872 61.606 62.300 0.298 0.000 0.848 286 V CB 1.231 33.188 31.823 0.224 0.000 0.990 286 V HN 1.074 nan 8.190 nan 0.000 0.430 287 C N 6.446 125.877 119.300 0.219 0.000 2.239 287 C HA 0.513 4.974 4.460 0.003 0.000 0.325 287 C C 0.451 175.559 174.990 0.196 0.000 1.231 287 C CA -0.934 58.187 59.018 0.172 0.000 1.652 287 C CB -0.398 27.430 27.740 0.146 0.000 2.284 287 C HN 0.712 nan 8.230 nan 0.000 0.499 288 L N 3.760 125.099 121.223 0.194 0.000 2.358 288 L HA 0.230 4.572 4.340 0.003 0.000 0.274 288 L C -0.158 176.881 176.870 0.282 0.000 1.136 288 L CA 0.078 55.068 54.840 0.249 0.000 0.970 288 L CB -0.425 41.776 42.059 0.238 0.000 1.314 288 L HN 0.621 nan 8.230 nan 0.000 0.427 289 D N 2.723 123.278 120.400 0.259 0.000 2.399 289 D HA 0.112 4.754 4.640 0.003 0.000 0.241 289 D C 0.400 176.860 176.300 0.266 0.000 1.133 289 D CA 0.039 54.181 54.000 0.237 0.000 0.890 289 D CB 0.975 41.907 40.800 0.220 0.000 1.201 289 D HN 0.404 nan 8.370 nan 0.000 0.432 290 K N 0.686 121.209 120.400 0.206 0.000 2.127 290 K HA 0.237 4.559 4.320 0.003 0.000 0.240 290 K C 0.206 176.938 176.600 0.220 0.000 1.024 290 K CA -0.872 55.536 56.287 0.203 0.000 0.918 290 K CB 0.797 33.342 32.500 0.076 0.000 1.108 290 K HN 0.312 nan 8.250 nan 0.000 0.485 291 Q N 1.013 120.941 119.800 0.213 0.000 2.364 291 Q HA 0.134 4.475 4.340 0.003 0.000 0.267 291 Q C -0.627 175.491 176.000 0.195 0.000 0.999 291 Q CA -0.648 55.272 55.803 0.195 0.000 0.886 291 Q CB 0.821 29.662 28.738 0.172 0.000 1.243 291 Q HN 0.517 nan 8.270 nan 0.000 0.415 292 V N 1.365 121.387 119.914 0.180 0.000 2.815 292 V HA 0.611 4.733 4.120 0.003 0.000 0.314 292 V C -2.409 173.771 176.094 0.143 0.000 1.064 292 V CA -2.453 59.958 62.300 0.185 0.000 0.952 292 V CB 0.887 32.762 31.823 0.086 0.000 1.020 292 V HN 0.789 nan 8.190 nan 0.000 0.439 293 P HA 0.141 nan 4.420 nan 0.000 0.260 293 P C -0.055 177.280 177.300 0.059 0.000 1.185 293 P CA 0.110 63.285 63.100 0.125 0.000 0.763 293 P CB 0.180 31.989 31.700 0.181 0.000 0.776 294 R N 2.801 123.329 120.500 0.047 0.000 2.583 294 R HA 0.189 4.531 4.340 0.003 0.000 0.274 294 R C 0.017 176.306 176.300 -0.019 0.000 0.998 294 R CA 0.064 56.173 56.100 0.015 0.000 1.081 294 R CB 0.113 30.412 30.300 -0.001 0.000 0.940 294 R HN 0.383 nan 8.270 nan 0.000 0.413 295 V N 0.497 120.382 119.914 -0.047 0.000 3.155 295 V HA 0.498 4.620 4.120 0.003 0.000 0.313 295 V C 0.020 176.064 176.094 -0.083 0.000 1.162 295 V CA -1.036 61.195 62.300 -0.115 0.000 1.048 295 V CB 1.570 33.191 31.823 -0.337 0.000 1.092 295 V HN 0.825 nan 8.190 nan 0.000 0.447 296 S N -0.299 115.348 115.700 -0.088 0.000 2.566 296 S HA 0.044 4.516 4.470 0.003 0.000 0.280 296 S C 0.679 175.267 174.600 -0.021 0.000 1.343 296 S CA 0.701 58.873 58.200 -0.048 0.000 1.036 296 S CB 0.215 63.397 63.200 -0.030 0.000 0.866 296 S HN 0.922 nan 8.310 nan 0.000 0.526 297 D N 0.807 121.194 120.400 -0.022 0.000 2.317 297 D HA -0.024 4.617 4.640 0.003 0.000 0.211 297 D C 1.248 177.577 176.300 0.049 0.000 0.966 297 D CA 0.896 54.893 54.000 -0.005 0.000 0.876 297 D CB -0.013 40.757 40.800 -0.049 0.000 0.927 297 D HN 0.718 nan 8.370 nan 0.000 0.519 298 D N 0.250 120.673 120.400 0.038 0.000 2.349 298 D HA -0.081 4.560 4.640 0.003 0.000 0.215 298 D C 1.473 177.816 176.300 0.072 0.000 1.016 298 D CA 0.356 54.388 54.000 0.053 0.000 0.870 298 D CB 0.022 40.848 40.800 0.043 0.000 0.917 298 D HN 0.302 nan 8.370 nan 0.000 0.524 299 V N -3.693 116.265 119.914 0.073 0.000 3.398 299 V HA 0.262 4.384 4.120 0.003 0.000 0.298 299 V C 1.821 177.985 176.094 0.118 0.000 1.496 299 V CA -0.574 61.786 62.300 0.101 0.000 1.044 299 V CB -0.892 30.985 31.823 0.090 0.000 0.880 299 V HN -0.019 nan 8.190 nan 0.000 0.443 300 Y N 2.567 122.843 120.300 -0.039 0.000 2.097 300 Y HA -0.158 4.394 4.550 0.002 0.000 0.282 300 Y C 2.736 178.645 175.900 0.015 0.000 1.152 300 Y CA 2.679 60.751 58.100 -0.046 0.000 1.136 300 Y CB -0.171 38.257 38.460 -0.053 0.000 0.975 300 Y HN 0.259 nan 8.280 nan 0.000 0.498 301 R N 0.173 120.617 120.500 -0.094 0.000 2.096 301 R HA -0.175 4.167 4.340 0.003 0.000 0.235 301 R C 1.839 178.028 176.300 -0.186 0.000 1.127 301 R CA 1.657 57.641 56.100 -0.194 0.000 0.968 301 R CB -0.238 30.049 30.300 -0.022 0.000 0.861 301 R HN 0.417 nan 8.270 nan 0.000 0.440 302 N N -0.158 118.492 118.700 -0.084 0.000 2.188 302 N HA -0.144 4.597 4.740 0.003 0.000 0.184 302 N C 1.405 176.813 175.510 -0.170 0.000 1.018 302 N CA 1.276 54.256 53.050 -0.116 0.000 0.858 302 N CB -0.387 38.085 38.487 -0.025 0.000 0.989 302 N HN 0.387 nan 8.380 nan 0.000 0.426 303 H N -0.172 118.763 119.070 -0.224 0.000 2.428 303 H HA 0.108 4.665 4.556 0.002 0.000 0.296 303 H C 1.964 177.118 175.328 -0.289 0.000 1.062 303 H CA 0.596 56.509 56.048 -0.224 0.000 1.350 303 H CB 0.014 29.669 29.762 -0.178 0.000 1.403 303 H HN -0.054 nan 8.280 nan 0.000 0.533 304 V N 0.245 119.995 119.914 -0.273 0.000 2.548 304 V HA -0.167 3.955 4.120 0.003 0.000 0.249 304 V C 2.488 178.443 176.094 -0.232 0.000 1.055 304 V CA 1.387 63.521 62.300 -0.276 0.000 1.065 304 V CB -0.857 30.733 31.823 -0.390 0.000 0.681 304 V HN 0.533 nan 8.190 nan 0.000 0.462 305 A N 0.761 123.364 122.820 -0.361 0.000 1.898 305 A HA -0.051 4.270 4.320 0.003 0.000 0.216 305 A C 2.404 179.615 177.584 -0.622 0.000 1.181 305 A CA 1.834 53.452 52.037 -0.698 0.000 0.620 305 A CB -1.096 17.274 19.000 -1.049 0.000 0.819 305 A HN 0.506 nan 8.150 nan 0.000 0.442 306 G N -0.904 107.588 108.800 -0.513 0.000 2.408 306 G HA2 -0.247 3.715 3.960 0.003 0.000 0.217 306 G HA3 -0.247 3.715 3.960 0.003 0.000 0.217 306 G C 1.603 176.064 174.900 -0.732 0.000 1.150 306 G CA 1.036 45.718 45.100 -0.697 0.000 0.776 306 G HN 0.630 nan 8.290 nan 0.000 0.542 307 Q N -0.682 118.922 119.800 -0.328 0.000 2.124 307 Q HA -0.103 4.238 4.340 0.003 0.000 0.202 307 Q C 2.410 178.382 176.000 -0.047 0.000 0.977 307 Q CA 1.263 56.983 55.803 -0.137 0.000 0.850 307 Q CB -0.124 28.583 28.738 -0.052 0.000 0.901 307 Q HN 0.345 nan 8.270 nan 0.000 0.429 308 M N -0.302 119.296 119.600 -0.003 0.000 2.349 308 M HA -0.041 4.440 4.480 0.003 0.000 0.266 308 M C 1.949 178.357 176.300 0.179 0.000 1.076 308 M CA 0.655 56.041 55.300 0.144 0.000 1.126 308 M CB -0.691 32.081 32.600 0.287 0.000 1.392 308 M HN 0.281 nan 8.290 nan 0.000 0.440 309 L N 0.462 121.748 121.223 0.106 0.000 2.102 309 L HA -0.085 4.256 4.340 0.003 0.000 0.202 309 L C 2.387 179.289 176.870 0.054 0.000 1.076 309 L CA 1.777 56.686 54.840 0.115 0.000 0.761 309 L CB -0.474 41.638 42.059 0.089 0.000 0.921 309 L HN 0.503 nan 8.230 nan 0.000 0.444 310 H N -4.244 114.881 119.070 0.092 0.000 3.440 310 H HA 0.413 4.971 4.556 0.003 0.000 0.259 310 H C 1.313 176.758 175.328 0.195 0.000 1.120 310 H CA 0.643 56.712 56.048 0.035 0.000 1.191 310 H CB 0.689 30.387 29.762 -0.107 0.000 1.537 310 H HN 0.246 nan 8.280 nan 0.000 0.547 311 G N 0.552 109.465 108.800 0.188 0.000 2.195 311 G HA2 -0.196 3.766 3.960 0.003 0.000 0.224 311 G HA3 -0.196 3.766 3.960 0.003 0.000 0.224 311 G C 1.280 176.352 174.900 0.285 0.000 0.990 311 G CA 0.713 45.968 45.100 0.258 0.000 0.639 311 G HN 1.273 nan 8.290 nan 0.000 0.514 312 G N -1.125 107.931 108.800 0.426 0.000 2.336 312 G HA2 0.443 4.405 3.960 0.003 0.000 0.233 312 G HA3 0.443 4.405 3.960 0.003 0.000 0.233 312 G C 1.490 176.665 174.900 0.458 0.000 1.053 312 G CA 1.024 46.311 45.100 0.311 0.000 0.625 312 G HN 2.899 nan 8.290 nan 0.000 0.511 313 G N -1.670 107.400 108.800 0.451 0.000 2.353 313 G HA2 0.517 4.479 3.960 0.003 0.000 0.308 313 G HA3 0.517 4.479 3.960 0.003 0.000 0.308 313 G C 0.740 175.748 174.900 0.180 0.000 1.418 313 G CA 0.991 46.276 45.100 0.309 0.000 0.966 313 G HN 1.723 nan 8.290 nan 0.000 0.638 314 S N -0.718 114.998 115.700 0.026 0.000 2.442 314 S HA -0.038 4.434 4.470 0.003 0.000 0.236 314 S C 1.630 176.189 174.600 -0.068 0.000 1.007 314 S CA 1.711 59.876 58.200 -0.058 0.000 0.965 314 S CB -0.104 63.044 63.200 -0.086 0.000 0.773 314 S HN 0.590 nan 8.310 nan 0.000 0.504 315 K N -0.360 119.924 120.400 -0.192 0.000 2.444 315 K HA 0.270 4.592 4.320 0.003 0.000 0.193 315 K C 0.263 176.613 176.600 -0.416 0.000 1.024 315 K CA 0.255 56.332 56.287 -0.351 0.000 1.077 315 K CB 0.058 32.208 32.500 -0.584 0.000 0.833 315 K HN 0.468 nan 8.250 nan 0.000 0.517 316 F N -0.076 119.972 119.950 0.165 0.000 2.276 316 F HA 0.176 4.705 4.527 0.004 0.000 0.213 316 F C 1.472 177.414 175.800 0.236 0.000 1.098 316 F CA -0.569 57.536 58.000 0.174 0.000 1.162 316 F CB 0.136 39.224 39.000 0.147 0.000 1.511 316 F HN -0.180 nan 8.300 nan 0.000 0.540 317 N N -0.637 118.338 118.700 0.457 0.000 2.160 317 N HA 0.118 4.860 4.740 0.003 0.000 0.226 317 N C 0.914 176.588 175.510 0.273 0.000 1.256 317 N CA 0.226 53.488 53.050 0.353 0.000 0.890 317 N CB 0.837 39.487 38.487 0.271 0.000 1.116 317 N HN 0.069 nan 8.380 nan 0.000 0.517 318 S N 0.044 115.892 115.700 0.247 0.000 2.423 318 S HA -0.048 4.423 4.470 0.003 0.000 0.231 318 S C 1.883 176.530 174.600 0.078 0.000 1.014 318 S CA 1.124 59.454 58.200 0.215 0.000 0.965 318 S CB -0.045 63.265 63.200 0.183 0.000 0.785 318 S HN 0.495 nan 8.310 nan 0.000 0.495 319 G N 0.784 109.491 108.800 -0.155 0.000 2.813 319 G HA2 -0.041 3.921 3.960 0.003 0.000 0.209 319 G HA3 -0.041 3.921 3.960 0.003 0.000 0.209 319 G C 0.702 175.492 174.900 -0.183 0.000 1.150 319 G CA -0.150 44.678 45.100 -0.454 0.000 0.785 319 G HN 0.413 nan 8.290 nan 0.000 0.535 320 N N 0.634 119.398 118.700 0.107 0.000 2.758 320 N HA 0.199 4.941 4.740 0.003 0.000 0.293 320 N C 0.186 175.711 175.510 0.025 0.000 1.273 320 N CA -0.170 52.974 53.050 0.157 0.000 1.022 320 N CB -0.106 38.523 38.487 0.236 0.000 1.334 320 N HN 0.176 nan 8.380 nan 0.000 0.519 321 R N -0.706 119.809 120.500 0.025 0.000 2.762 321 R HA 0.318 4.660 4.340 0.003 0.000 0.271 321 R C -1.641 174.784 176.300 0.209 0.000 1.038 321 R CA -0.764 55.307 56.100 -0.048 0.000 0.906 321 R CB 1.182 31.137 30.300 -0.574 0.000 1.259 321 R HN 0.191 nan 8.270 nan 0.000 0.457 322 W N 2.150 123.359 121.300 -0.151 0.000 2.534 322 W HA 0.266 4.927 4.660 0.002 0.000 0.292 322 W C -0.986 175.457 176.519 -0.127 0.000 1.027 322 W CA -0.668 56.658 57.345 -0.031 0.000 1.304 322 W CB 0.390 29.915 29.460 0.108 0.000 1.187 322 W HN 0.643 nan 8.180 nan 0.000 0.356 323 F N 1.547 121.423 119.950 -0.123 0.000 2.583 323 F HA -0.136 4.392 4.527 0.002 0.000 0.297 323 F C 1.788 177.572 175.800 -0.026 0.000 1.131 323 F CA 1.040 58.995 58.000 -0.075 0.000 1.467 323 F CB -0.075 38.831 39.000 -0.156 0.000 1.097 323 F HN 0.023 nan 8.300 nan 0.000 0.586 324 D N -0.093 120.373 120.400 0.110 0.000 2.289 324 D HA -0.054 4.588 4.640 0.003 0.000 0.207 324 D C 1.050 177.544 176.300 0.323 0.000 0.966 324 D CA 0.607 54.745 54.000 0.230 0.000 0.868 324 D CB -0.079 40.908 40.800 0.312 0.000 0.943 324 D HN -0.003 nan 8.370 nan 0.000 0.514 325 K N 0.969 121.626 120.400 0.430 0.000 2.447 325 K HA 0.031 4.352 4.320 0.003 0.000 0.281 325 K C 1.061 177.803 176.600 0.236 0.000 1.031 325 K CA 0.264 56.758 56.287 0.344 0.000 1.019 325 K CB 0.577 33.286 32.500 0.349 0.000 0.918 325 K HN -0.219 nan 8.250 nan 0.000 0.476 326 T N 3.508 118.187 114.554 0.208 0.000 2.684 326 T HA -0.105 4.247 4.350 0.003 0.000 0.267 326 T C 0.374 175.167 174.700 0.155 0.000 1.036 326 T CA 1.183 63.386 62.100 0.171 0.000 1.148 326 T CB -0.083 68.874 68.868 0.149 0.000 0.863 326 T HN 0.405 nan 8.240 nan 0.000 0.436 327 L N 1.494 122.812 121.223 0.157 0.000 2.343 327 L HA 0.433 4.774 4.340 0.003 0.000 0.278 327 L C -0.556 176.379 176.870 0.109 0.000 0.996 327 L CA -0.465 54.420 54.840 0.075 0.000 0.831 327 L CB 1.850 43.975 42.059 0.110 0.000 1.232 327 L HN 0.073 nan 8.230 nan 0.000 0.413 328 Q N 3.571 123.345 119.800 -0.044 0.000 2.327 328 Q HA 0.471 4.813 4.340 0.003 0.000 0.270 328 Q C -1.430 174.495 176.000 -0.123 0.000 1.022 328 Q CA -0.518 55.308 55.803 0.039 0.000 0.773 328 Q CB 2.420 31.182 28.738 0.040 0.000 1.251 328 Q HN 0.377 nan 8.270 nan 0.000 0.457 329 F N 2.763 122.814 119.950 0.169 0.000 2.408 329 F HA 0.471 4.999 4.527 0.002 0.000 0.344 329 F C 0.175 176.071 175.800 0.161 0.000 1.112 329 F CA -0.542 57.540 58.000 0.137 0.000 1.096 329 F CB 0.900 39.964 39.000 0.106 0.000 1.129 329 F HN 0.321 nan 8.300 nan 0.000 0.486 330 I N 3.762 124.509 120.570 0.295 0.000 2.404 330 I HA 0.455 4.627 4.170 0.003 0.000 0.293 330 I C -1.007 175.299 176.117 0.314 0.000 0.992 330 I CA -0.885 60.571 61.300 0.260 0.000 1.149 330 I CB 1.804 39.919 38.000 0.191 0.000 1.315 330 I HN 0.158 nan 8.210 nan 0.000 0.446 331 V N 5.782 125.883 119.914 0.311 0.000 2.349 331 V HA 0.544 4.666 4.120 0.003 0.000 0.284 331 V C 0.453 176.750 176.094 0.338 0.000 1.014 331 V CA -0.623 61.900 62.300 0.372 0.000 0.826 331 V CB 1.272 33.309 31.823 0.357 0.000 1.009 331 V HN 0.861 nan 8.190 nan 0.000 0.431 332 A N 3.158 126.188 122.820 0.349 0.000 2.346 332 A HA 0.425 4.747 4.320 0.003 0.000 0.252 332 A C 1.260 179.090 177.584 0.410 0.000 1.089 332 A CA -0.038 52.188 52.037 0.315 0.000 0.797 332 A CB 0.456 19.595 19.000 0.232 0.000 1.047 332 A HN 0.820 nan 8.150 nan 0.000 0.494 333 E N 0.299 120.705 120.200 0.343 0.000 2.216 333 E HA -0.160 4.192 4.350 0.003 0.000 0.192 333 E C 0.540 177.355 176.600 0.359 0.000 0.988 333 E CA 1.406 58.023 56.400 0.362 0.000 0.834 333 E CB -0.042 29.837 29.700 0.300 0.000 0.772 333 E HN 0.793 nan 8.360 nan 0.000 0.479 334 D N -1.167 119.376 120.400 0.238 0.000 2.328 334 D HA 0.056 4.698 4.640 0.003 0.000 0.226 334 D C 1.212 177.474 176.300 -0.064 0.000 1.066 334 D CA 0.828 54.896 54.000 0.113 0.000 0.861 334 D CB 0.243 41.116 40.800 0.123 0.000 0.912 334 D HN 0.302 nan 8.370 nan 0.000 0.521 335 G N -0.260 108.430 108.800 -0.184 0.000 2.232 335 G HA2 -0.248 3.714 3.960 0.003 0.000 0.226 335 G HA3 -0.248 3.714 3.960 0.003 0.000 0.226 335 G C 0.412 175.101 174.900 -0.352 0.000 0.996 335 G CA 0.108 44.696 45.100 -0.853 0.000 0.626 335 G HN 0.406 nan 8.290 nan 0.000 0.509 336 S N 0.436 116.114 115.700 -0.036 0.000 2.585 336 S HA 0.573 5.044 4.470 0.003 0.000 0.273 336 S C 0.581 175.258 174.600 0.128 0.000 1.339 336 S CA 0.501 58.724 58.200 0.039 0.000 1.028 336 S CB 1.260 64.501 63.200 0.069 0.000 0.906 336 S HN 1.738 nan 8.310 nan 0.000 0.528 337 C N -0.145 119.234 119.300 0.131 0.000 3.311 337 C HA 1.025 5.487 4.460 0.003 0.000 0.325 337 C C 0.160 175.273 174.990 0.205 0.000 1.352 337 C CA -0.002 59.155 59.018 0.230 0.000 1.308 337 C CB 0.867 28.812 27.740 0.341 0.000 1.619 337 C HN 1.065 nan 8.230 nan 0.000 0.469 338 G N 0.750 109.689 108.800 0.232 0.000 2.393 338 G HA2 0.839 4.801 3.960 0.003 0.000 0.264 338 G HA3 0.839 4.801 3.960 0.003 0.000 0.264 338 G C -1.338 173.641 174.900 0.130 0.000 1.221 338 G CA -0.143 45.061 45.100 0.173 0.000 0.912 338 G HN 2.055 nan 8.290 nan 0.000 0.483 339 M N -1.804 117.814 119.600 0.030 0.000 2.895 339 M HA 0.795 5.277 4.480 0.003 0.000 0.271 339 M C -2.016 174.247 176.300 -0.062 0.000 1.174 339 M CA -1.046 54.206 55.300 -0.081 0.000 0.816 339 M CB 2.031 34.423 32.600 -0.348 0.000 1.647 339 M HN 1.406 nan 8.290 nan 0.000 0.506 340 V N 2.086 121.967 119.914 -0.056 0.000 2.733 340 V HA 0.826 4.948 4.120 0.003 0.000 0.306 340 V C -2.140 173.967 176.094 0.021 0.000 1.084 340 V CA -0.220 62.075 62.300 -0.007 0.000 0.905 340 V CB 2.305 34.188 31.823 0.100 0.000 1.010 340 V HN 0.993 nan 8.190 nan 0.000 0.424 341 Y N 3.061 123.298 120.300 -0.105 0.000 2.499 341 Y HA 0.753 5.305 4.550 0.003 0.000 0.347 341 Y C -0.374 175.485 175.900 -0.068 0.000 0.987 341 Y CA -1.086 56.950 58.100 -0.107 0.000 1.044 341 Y CB 1.577 39.925 38.460 -0.186 0.000 1.245 341 Y HN 0.598 nan 8.280 nan 0.000 0.461 342 E N 2.770 123.022 120.200 0.087 0.000 2.217 342 E HA 0.010 4.362 4.350 0.003 0.000 0.279 342 E C 0.403 177.016 176.600 0.022 0.000 1.068 342 E CA 0.275 56.688 56.400 0.022 0.000 0.882 342 E CB 0.242 30.001 29.700 0.097 0.000 1.039 342 E HN 0.931 nan 8.360 nan 0.000 0.418 343 H N 3.912 122.826 119.070 -0.259 0.000 2.457 343 H HA -0.107 4.450 4.556 0.003 0.000 0.297 343 H C 1.484 176.436 175.328 -0.625 0.000 1.092 343 H CA 1.493 57.295 56.048 -0.409 0.000 1.309 343 H CB 0.263 29.640 29.762 -0.643 0.000 1.382 343 H HN 0.609 nan 8.280 nan 0.000 0.535 344 A N 0.491 123.079 122.820 -0.385 0.000 2.024 344 A HA -0.130 4.192 4.320 0.003 0.000 0.220 344 A C 2.639 180.197 177.584 -0.043 0.000 1.164 344 A CA 1.613 53.495 52.037 -0.258 0.000 0.643 344 A CB -0.709 18.271 19.000 -0.033 0.000 0.806 344 A HN 0.503 nan 8.150 nan 0.000 0.451 345 A N -0.568 122.261 122.820 0.014 0.000 1.823 345 A HA 0.516 4.837 4.320 0.003 0.000 0.214 345 A C 1.467 179.078 177.584 0.045 0.000 1.225 345 A CA 1.700 53.766 52.037 0.048 0.000 0.604 345 A CB -0.814 18.221 19.000 0.059 0.000 0.878 345 A HN 1.341 nan 8.150 nan 0.000 0.450 346 A N -2.105 120.732 122.820 0.029 0.000 2.486 346 A HA 0.694 5.015 4.320 0.003 0.000 0.277 346 A C -0.621 176.990 177.584 0.045 0.000 1.282 346 A CA -0.610 51.413 52.037 -0.023 0.000 0.784 346 A CB 0.536 19.425 19.000 -0.186 0.000 1.350 346 A HN 0.259 nan 8.150 nan 0.000 0.454 347 E N -0.989 119.192 120.200 -0.032 0.000 2.803 347 E HA 0.436 4.788 4.350 0.003 0.000 0.250 347 E C 1.355 177.866 176.600 -0.148 0.000 1.102 347 E CA 0.106 56.538 56.400 0.053 0.000 1.017 347 E CB 0.173 29.924 29.700 0.085 0.000 1.346 347 E HN 0.673 nan 8.360 nan 0.000 0.532 348 G N 0.819 109.595 108.800 -0.039 0.000 2.424 348 G HA2 -0.131 3.831 3.960 0.003 0.000 0.214 348 G HA3 -0.131 3.831 3.960 0.003 0.000 0.214 348 G C -1.120 173.695 174.900 -0.142 0.000 1.202 348 G CA 0.602 45.648 45.100 -0.090 0.000 0.793 348 G HN 0.327 nan 8.290 nan 0.000 0.534 349 P HA -0.137 nan 4.420 nan 0.000 0.217 349 P C -1.316 175.922 177.300 -0.103 0.000 1.162 349 P CA 2.272 65.332 63.100 -0.066 0.000 0.901 349 P CB -0.788 30.895 31.700 -0.029 0.000 0.793 350 P HA -0.144 nan 4.420 nan 0.000 0.215 350 P C 1.567 178.696 177.300 -0.284 0.000 1.157 350 P CA 1.258 64.094 63.100 -0.441 0.000 0.868 350 P CB -0.543 30.702 31.700 -0.758 0.000 0.788 351 I N -0.487 119.865 120.570 -0.364 0.000 2.163 351 I HA -0.168 4.003 4.170 0.003 0.000 0.243 351 I C 2.361 178.335 176.117 -0.238 0.000 1.085 351 I CA 1.830 62.897 61.300 -0.388 0.000 1.347 351 I CB -1.715 35.896 38.000 -0.647 0.000 1.044 351 I HN -0.063 nan 8.210 nan 0.000 0.408 352 V N -0.103 119.710 119.914 -0.169 0.000 2.515 352 V HA -0.081 4.041 4.120 0.003 0.000 0.250 352 V C 2.679 178.736 176.094 -0.061 0.000 1.058 352 V CA 1.394 63.639 62.300 -0.092 0.000 1.064 352 V CB -1.492 30.296 31.823 -0.057 0.000 0.675 352 V HN 0.278 nan 8.190 nan 0.000 0.461 353 A N 0.861 123.664 122.820 -0.029 0.000 1.902 353 A HA -0.111 4.211 4.320 0.003 0.000 0.217 353 A C 2.289 179.786 177.584 -0.146 0.000 1.181 353 A CA 2.127 54.190 52.037 0.043 0.000 0.623 353 A CB -0.652 18.500 19.000 0.252 0.000 0.818 353 A HN 0.647 nan 8.150 nan 0.000 0.443 354 L N -0.373 120.622 121.223 -0.380 0.000 2.083 354 L HA -0.114 4.228 4.340 0.003 0.000 0.209 354 L C 2.323 178.954 176.870 -0.399 0.000 1.083 354 L CA 1.374 55.668 54.840 -0.911 0.000 0.752 354 L CB -0.191 41.418 42.059 -0.750 0.000 0.899 354 L HN 0.192 nan 8.230 nan 0.000 0.433 355 V N 0.301 120.114 119.914 -0.168 0.000 2.261 355 V HA -0.296 3.826 4.120 0.003 0.000 0.246 355 V C 2.204 178.297 176.094 -0.001 0.000 1.047 355 V CA 2.130 64.413 62.300 -0.028 0.000 1.015 355 V CB -0.683 31.143 31.823 0.005 0.000 0.642 355 V HN 0.500 nan 8.190 nan 0.000 0.446 356 D N -1.094 119.308 120.400 0.003 0.000 2.133 356 D HA -0.211 4.431 4.640 0.003 0.000 0.195 356 D C 2.071 178.410 176.300 0.064 0.000 0.997 356 D CA 1.606 55.631 54.000 0.042 0.000 0.840 356 D CB -0.385 40.447 40.800 0.053 0.000 0.947 356 D HN 0.553 nan 8.370 nan 0.000 0.452 357 H N 0.595 119.643 119.070 -0.036 0.000 2.326 357 H HA -0.032 4.525 4.556 0.003 0.000 0.301 357 H C 2.093 177.439 175.328 0.029 0.000 1.081 357 H CA 1.030 57.093 56.048 0.025 0.000 1.334 357 H CB -0.086 29.716 29.762 0.067 0.000 1.385 357 H HN -0.049 nan 8.280 nan 0.000 0.504 358 V N 1.526 121.478 119.914 0.063 0.000 2.295 358 V HA -0.286 3.835 4.120 0.003 0.000 0.246 358 V C 2.928 179.040 176.094 0.031 0.000 1.049 358 V CA 1.734 64.027 62.300 -0.013 0.000 1.024 358 V CB -0.535 31.199 31.823 -0.148 0.000 0.648 358 V HN 0.362 nan 8.190 nan 0.000 0.447 359 M N -0.252 119.383 119.600 0.058 0.000 2.080 359 M HA -0.173 4.308 4.480 0.003 0.000 0.260 359 M C 2.254 178.608 176.300 0.090 0.000 1.068 359 M CA 1.852 57.220 55.300 0.114 0.000 1.109 359 M CB -1.291 31.379 32.600 0.117 0.000 1.342 359 M HN 0.427 nan 8.290 nan 0.000 0.405 360 E N -0.277 119.946 120.200 0.040 0.000 2.204 360 E HA -0.207 4.145 4.350 0.003 0.000 0.195 360 E C 1.845 178.437 176.600 -0.013 0.000 0.990 360 E CA 1.176 57.579 56.400 0.005 0.000 0.821 360 E CB -0.413 29.272 29.700 -0.026 0.000 0.750 360 E HN 0.520 nan 8.360 nan 0.000 0.477 361 Y N 0.349 120.563 120.300 -0.143 0.000 2.286 361 Y HA -0.094 4.458 4.550 0.003 0.000 0.293 361 Y C 2.252 178.113 175.900 -0.065 0.000 1.124 361 Y CA 2.019 60.035 58.100 -0.141 0.000 1.178 361 Y CB -0.434 37.918 38.460 -0.181 0.000 1.010 361 Y HN 0.211 nan 8.280 nan 0.000 0.536 362 T N -2.492 112.153 114.554 0.152 0.000 3.051 362 T HA -0.090 4.262 4.350 0.003 0.000 0.269 362 T C 1.438 176.184 174.700 0.077 0.000 1.127 362 T CA 1.195 63.375 62.100 0.133 0.000 1.107 362 T CB -0.265 68.744 68.868 0.234 0.000 0.898 362 T HN 0.303 nan 8.240 nan 0.000 0.517 363 K N 0.309 120.721 120.400 0.020 0.000 2.367 363 K HA 0.209 4.531 4.320 0.003 0.000 0.194 363 K C 0.504 177.063 176.600 -0.068 0.000 1.027 363 K CA -0.014 56.272 56.287 -0.002 0.000 1.075 363 K CB 0.350 32.855 32.500 0.008 0.000 0.845 363 K HN 0.325 nan 8.250 nan 0.000 0.529 364 K N 2.663 122.968 120.400 -0.158 0.000 2.350 364 K HA 0.107 4.428 4.320 0.003 0.000 0.279 364 K C -2.193 174.301 176.600 -0.175 0.000 1.027 364 K CA -1.520 54.641 56.287 -0.210 0.000 0.969 364 K CB 0.461 32.731 32.500 -0.383 0.000 0.954 364 K HN -0.032 nan 8.250 nan 0.000 0.474 365 P HA -0.027 nan 4.420 nan 0.000 0.274 365 P C -0.828 176.409 177.300 -0.104 0.000 1.264 365 P CA 0.043 63.087 63.100 -0.093 0.000 0.795 365 P CB 0.595 32.253 31.700 -0.070 0.000 1.064 366 E N -0.735 119.420 120.200 -0.074 0.000 2.212 366 E HA 0.419 4.771 4.350 0.003 0.000 0.270 366 E C 0.265 176.835 176.600 -0.049 0.000 0.956 366 E CA -0.663 55.699 56.400 -0.064 0.000 0.825 366 E CB 1.472 31.138 29.700 -0.056 0.000 1.167 366 E HN 0.320 nan 8.360 nan 0.000 0.400 367 L N 0.433 121.632 121.223 -0.039 0.000 3.776 367 L HA 0.223 4.565 4.340 0.003 0.000 0.190 367 L C 0.198 177.057 176.870 -0.019 0.000 1.238 367 L CA -0.517 54.306 54.840 -0.028 0.000 1.153 367 L CB -0.143 41.902 42.059 -0.024 0.000 1.662 367 L HN 0.344 nan 8.230 nan 0.000 0.759 368 V N 0.287 120.195 119.914 -0.010 0.000 2.400 368 V HA 0.173 4.295 4.120 0.003 0.000 0.263 368 V C 0.691 176.782 176.094 -0.005 0.000 1.026 368 V CA -0.009 62.288 62.300 -0.004 0.000 1.077 368 V CB -0.109 31.717 31.823 0.005 0.000 1.054 368 V HN 0.450 nan 8.190 nan 0.000 0.477 369 R N 3.041 123.535 120.500 -0.010 0.000 2.609 369 R HA 0.227 4.569 4.340 0.003 0.000 0.326 369 R C 0.860 177.156 176.300 -0.007 0.000 1.090 369 R CA 0.371 56.464 56.100 -0.012 0.000 1.072 369 R CB 0.216 30.503 30.300 -0.022 0.000 1.330 369 R HN 0.961 nan 8.270 nan 0.000 0.572 370 S N 1.648 117.347 115.700 -0.002 0.000 2.559 370 S HA 0.139 4.611 4.470 0.003 0.000 0.282 370 S C -1.921 172.681 174.600 0.003 0.000 1.336 370 S CA -0.903 57.297 58.200 -0.001 0.000 1.037 370 S CB 0.193 63.393 63.200 -0.001 0.000 0.853 370 S HN 0.151 nan 8.310 nan 0.000 0.523 371 P HA 0.113 nan 4.420 nan 0.000 0.264 371 P C -0.253 177.052 177.300 0.010 0.000 1.236 371 P CA -0.231 62.873 63.100 0.006 0.000 0.811 371 P CB -0.093 31.609 31.700 0.003 0.000 0.840 372 M N 3.604 123.216 119.600 0.020 0.000 2.245 372 M HA 0.284 4.766 4.480 0.003 0.000 0.330 372 M C 0.449 176.762 176.300 0.023 0.000 1.098 372 M CA -0.440 54.876 55.300 0.027 0.000 1.172 372 M CB -0.112 32.517 32.600 0.050 0.000 1.467 372 M HN 0.136 nan 8.290 nan 0.000 0.454 373 V N -0.667 119.258 119.914 0.017 0.000 2.953 373 V HA 0.605 4.727 4.120 0.003 0.000 0.304 373 V C -2.297 173.815 176.094 0.029 0.000 1.073 373 V CA -1.859 60.449 62.300 0.013 0.000 1.064 373 V CB -0.436 31.384 31.823 -0.005 0.000 1.047 373 V HN 0.814 nan 8.190 nan 0.000 0.478 374 P HA 0.276 nan 4.420 nan 0.000 0.269 374 P C -0.839 176.484 177.300 0.039 0.000 1.205 374 P CA 0.319 63.434 63.100 0.026 0.000 0.780 374 P CB 0.193 31.904 31.700 0.018 0.000 0.858 375 L N 2.110 123.353 121.223 0.034 0.000 2.393 375 L HA 0.534 4.875 4.340 0.003 0.000 0.260 375 L C -2.182 174.701 176.870 0.022 0.000 1.002 375 L CA -2.163 52.700 54.840 0.039 0.000 0.818 375 L CB 2.158 44.239 42.059 0.037 0.000 1.369 375 L HN 0.311 nan 8.230 nan 0.000 0.412 376 P HA 0.132 nan 4.420 nan 0.000 0.274 376 P C -0.847 176.457 177.300 0.007 0.000 1.237 376 P CA -0.611 62.497 63.100 0.014 0.000 0.793 376 P CB 0.822 32.531 31.700 0.015 0.000 0.977 377 M N 2.887 122.492 119.600 0.009 0.000 2.194 377 M HA 0.294 4.776 4.480 0.003 0.000 0.347 377 M C -2.320 173.996 176.300 0.027 0.000 1.439 377 M CA -2.155 53.153 55.300 0.014 0.000 1.131 377 M CB -0.507 32.106 32.600 0.021 0.000 1.733 377 M HN 0.093 nan 8.290 nan 0.000 0.467 378 P HA -0.034 nan 4.420 nan 0.000 0.261 378 P C -1.180 176.198 177.300 0.131 0.000 1.183 378 P CA 0.199 63.339 63.100 0.066 0.000 0.761 378 P CB 0.225 31.954 31.700 0.049 0.000 0.785 379 K N 3.633 124.075 120.400 0.069 0.000 2.451 379 K HA 0.000 4.322 4.320 0.003 0.000 0.280 379 K C 0.180 176.806 176.600 0.043 0.000 1.020 379 K CA -0.096 56.208 56.287 0.029 0.000 1.008 379 K CB 0.306 32.776 32.500 -0.050 0.000 0.917 379 K HN 0.267 nan 8.250 nan 0.000 0.478 380 K N 5.976 126.357 120.400 -0.032 0.000 2.262 380 K HA 0.138 4.460 4.320 0.003 0.000 0.282 380 K C -0.494 175.924 176.600 -0.304 0.000 1.066 380 K CA -0.414 55.707 56.287 -0.277 0.000 0.901 380 K CB 0.463 32.811 32.500 -0.253 0.000 1.089 380 K HN 0.570 nan 8.250 nan 0.000 0.476 381 L N 6.427 127.433 121.223 -0.361 0.000 2.395 381 L HA 0.210 4.551 4.340 0.003 0.000 0.268 381 L C 0.564 177.155 176.870 -0.465 0.000 1.223 381 L CA -0.245 54.369 54.840 -0.377 0.000 1.093 381 L CB -0.320 41.536 42.059 -0.339 0.000 1.349 381 L HN 0.509 nan 8.230 nan 0.000 0.427 382 R N 1.556 121.826 120.500 -0.383 0.000 2.707 382 R HA 0.443 4.785 4.340 0.003 0.000 0.270 382 R C -0.971 175.073 176.300 -0.427 0.000 1.083 382 R CA -0.075 55.855 56.100 -0.282 0.000 1.182 382 R CB 0.713 30.919 30.300 -0.156 0.000 1.084 382 R HN 0.152 nan 8.270 nan 0.000 0.528 383 F N 0.299 120.246 119.950 -0.005 0.000 2.539 383 F HA 0.251 4.779 4.527 0.002 0.000 0.318 383 F C -0.097 175.715 175.800 0.020 0.000 1.135 383 F CA -0.956 57.056 58.000 0.019 0.000 0.915 383 F CB 1.641 40.681 39.000 0.066 0.000 1.176 383 F HN 0.275 nan 8.300 nan 0.000 0.440 384 N N 4.829 123.656 118.700 0.211 0.000 2.415 384 N HA 0.239 4.981 4.740 0.003 0.000 0.246 384 N C -0.428 175.158 175.510 0.127 0.000 1.078 384 N CA -0.135 52.990 53.050 0.124 0.000 0.942 384 N CB 0.927 39.457 38.487 0.073 0.000 1.140 384 N HN 0.316 nan 8.380 nan 0.000 0.501 385 I N 1.698 122.331 120.570 0.105 0.000 2.519 385 I HA 0.180 4.352 4.170 0.003 0.000 0.287 385 I C 1.336 177.484 176.117 0.052 0.000 1.047 385 I CA -0.155 61.190 61.300 0.076 0.000 1.381 385 I CB 0.705 38.745 38.000 0.066 0.000 1.417 385 I HN 0.385 nan 8.210 nan 0.000 0.540 386 T N 2.415 116.995 114.554 0.042 0.000 2.887 386 T HA 0.482 4.834 4.350 0.003 0.000 0.292 386 T C -2.264 172.450 174.700 0.024 0.000 1.087 386 T CA -1.768 60.351 62.100 0.031 0.000 1.009 386 T CB 2.046 70.931 68.868 0.029 0.000 1.203 386 T HN 0.196 nan 8.240 nan 0.000 0.518 387 P HA -0.063 nan 4.420 nan 0.000 0.216 387 P C 1.329 178.638 177.300 0.014 0.000 1.150 387 P CA 1.010 64.119 63.100 0.014 0.000 0.843 387 P CB 0.202 31.909 31.700 0.012 0.000 0.787 388 E N -0.558 119.652 120.200 0.017 0.000 2.072 388 E HA -0.125 4.226 4.350 0.003 0.000 0.190 388 E C 1.933 178.547 176.600 0.023 0.000 0.982 388 E CA 0.794 57.205 56.400 0.018 0.000 0.803 388 E CB -0.400 29.311 29.700 0.018 0.000 0.755 388 E HN 0.139 nan 8.360 nan 0.000 0.453 389 I N 0.946 121.533 120.570 0.027 0.000 2.226 389 I HA -0.260 3.912 4.170 0.003 0.000 0.245 389 I C 2.522 178.650 176.117 0.018 0.000 1.100 389 I CA 1.007 62.325 61.300 0.031 0.000 1.374 389 I CB -0.242 37.779 38.000 0.035 0.000 1.057 389 I HN 0.044 nan 8.210 nan 0.000 0.413 390 K N 1.794 122.203 120.400 0.015 0.000 2.032 390 K HA -0.263 4.059 4.320 0.003 0.000 0.209 390 K C 1.786 178.387 176.600 0.001 0.000 1.048 390 K CA 2.122 58.413 56.287 0.006 0.000 0.927 390 K CB -0.534 31.972 32.500 0.010 0.000 0.712 390 K HN 0.200 nan 8.250 nan 0.000 0.441 391 N N 0.515 119.218 118.700 0.005 0.000 2.104 391 N HA -0.158 4.583 4.740 0.003 0.000 0.190 391 N C 1.159 176.670 175.510 0.003 0.000 1.024 391 N CA 1.933 54.985 53.050 0.003 0.000 0.853 391 N CB -0.253 38.238 38.487 0.006 0.000 1.008 391 N HN 0.271 nan 8.380 nan 0.000 0.424 392 D N 0.021 120.429 120.400 0.013 0.000 2.117 392 D HA -0.097 4.545 4.640 0.003 0.000 0.197 392 D C 1.991 178.287 176.300 -0.007 0.000 0.987 392 D CA 0.842 54.856 54.000 0.022 0.000 0.829 392 D CB -0.170 40.665 40.800 0.059 0.000 0.961 392 D HN 0.436 nan 8.370 nan 0.000 0.460 393 I N 1.306 121.862 120.570 -0.023 0.000 2.226 393 I HA -0.211 3.960 4.170 0.003 0.000 0.245 393 I C 2.340 178.423 176.117 -0.058 0.000 1.100 393 I CA 0.957 62.222 61.300 -0.058 0.000 1.374 393 I CB -0.131 37.834 38.000 -0.058 0.000 1.057 393 I HN -0.101 nan 8.210 nan 0.000 0.413 394 E N 1.044 121.221 120.200 -0.038 0.000 2.077 394 E HA -0.180 4.172 4.350 0.003 0.000 0.193 394 E C 2.129 178.708 176.600 -0.036 0.000 0.989 394 E CA 0.988 57.366 56.400 -0.036 0.000 0.800 394 E CB -0.229 29.457 29.700 -0.023 0.000 0.746 394 E HN 0.398 nan 8.360 nan 0.000 0.452 395 K N 0.671 121.054 120.400 -0.028 0.000 2.097 395 K HA -0.033 4.288 4.320 0.003 0.000 0.206 395 K C 2.062 178.640 176.600 -0.038 0.000 1.049 395 K CA 1.025 57.297 56.287 -0.025 0.000 0.933 395 K CB -0.376 32.118 32.500 -0.011 0.000 0.717 395 K HN 0.083 nan 8.250 nan 0.000 0.442 396 A N 1.833 124.621 122.820 -0.053 0.000 1.930 396 A HA -0.165 4.157 4.320 0.003 0.000 0.217 396 A C 2.110 179.642 177.584 -0.088 0.000 1.175 396 A CA 1.472 53.458 52.037 -0.084 0.000 0.627 396 A CB -0.278 18.644 19.000 -0.130 0.000 0.815 396 A HN 0.260 nan 8.150 nan 0.000 0.443 397 K N -0.440 119.912 120.400 -0.080 0.000 2.032 397 K HA -0.205 4.117 4.320 0.003 0.000 0.209 397 K C 2.342 178.906 176.600 -0.059 0.000 1.048 397 K CA 1.830 58.072 56.287 -0.075 0.000 0.927 397 K CB -0.241 32.218 32.500 -0.068 0.000 0.712 397 K HN 0.615 nan 8.250 nan 0.000 0.441 398 Q N 0.495 120.266 119.800 -0.049 0.000 2.050 398 Q HA -0.209 4.133 4.340 0.003 0.000 0.202 398 Q C 2.017 177.993 176.000 -0.042 0.000 0.980 398 Q CA 1.814 57.593 55.803 -0.039 0.000 0.840 398 Q CB -0.242 28.476 28.738 -0.032 0.000 0.898 398 Q HN 0.297 nan 8.270 nan 0.000 0.424 399 N N 0.438 119.111 118.700 -0.045 0.000 2.084 399 N HA -0.191 4.551 4.740 0.003 0.000 0.190 399 N C 1.577 177.054 175.510 -0.055 0.000 1.030 399 N CA 0.857 53.882 53.050 -0.041 0.000 0.849 399 N CB -0.191 38.273 38.487 -0.037 0.000 1.012 399 N HN 0.148 nan 8.380 nan 0.000 0.423 400 L N 0.230 121.405 121.223 -0.080 0.000 2.083 400 L HA -0.015 4.326 4.340 0.003 0.000 0.209 400 L C 2.341 179.150 176.870 -0.102 0.000 1.083 400 L CA 1.601 56.376 54.840 -0.109 0.000 0.752 400 L CB -1.346 40.645 42.059 -0.114 0.000 0.899 400 L HN 0.265 nan 8.230 nan 0.000 0.433 401 S N -0.668 114.990 115.700 -0.070 0.000 2.356 401 S HA -0.174 4.297 4.470 0.003 0.000 0.223 401 S C 2.052 176.620 174.600 -0.054 0.000 1.032 401 S CA 1.663 59.831 58.200 -0.054 0.000 1.005 401 S CB -0.371 62.809 63.200 -0.034 0.000 0.867 401 S HN 0.498 nan 8.310 nan 0.000 0.449 402 I N 0.987 121.532 120.570 -0.043 0.000 2.179 402 I HA -0.244 3.927 4.170 0.003 0.000 0.242 402 I C 2.603 178.705 176.117 -0.026 0.000 1.088 402 I CA 1.563 62.847 61.300 -0.028 0.000 1.357 402 I CB -0.395 37.593 38.000 -0.021 0.000 1.051 402 I HN 0.370 nan 8.210 nan 0.000 0.409 403 M N 0.291 119.870 119.600 -0.035 0.000 2.073 403 M HA -0.252 4.230 4.480 0.003 0.000 0.258 403 M C 2.361 178.603 176.300 -0.097 0.000 1.070 403 M CA 2.121 57.406 55.300 -0.025 0.000 1.103 403 M CB -0.467 32.082 32.600 -0.086 0.000 1.321 403 M HN 0.166 nan 8.290 nan 0.000 0.405 404 I N -0.260 120.181 120.570 -0.214 0.000 2.179 404 I HA -0.320 3.852 4.170 0.003 0.000 0.242 404 I C 2.455 178.480 176.117 -0.154 0.000 1.088 404 I CA 1.484 62.579 61.300 -0.341 0.000 1.357 404 I CB -0.574 37.162 38.000 -0.440 0.000 1.051 404 I HN 0.400 nan 8.210 nan 0.000 0.409 405 Q N 0.032 119.784 119.800 -0.081 0.000 2.181 405 Q HA -0.279 4.063 4.340 0.003 0.000 0.205 405 Q C 1.449 177.451 176.000 0.004 0.000 0.980 405 Q CA 1.783 57.569 55.803 -0.028 0.000 0.862 405 Q CB -0.193 28.539 28.738 -0.011 0.000 0.905 405 Q HN 0.435 nan 8.270 nan 0.000 0.429 406 D N -0.481 119.936 120.400 0.029 0.000 2.349 406 D HA -0.019 4.622 4.640 0.003 0.000 0.215 406 D C -0.424 175.981 176.300 0.174 0.000 1.016 406 D CA -0.063 53.997 54.000 0.099 0.000 0.870 406 D CB 0.310 41.175 40.800 0.109 0.000 0.917 406 D HN -0.028 nan 8.370 nan 0.000 0.524 407 L N 1.154 122.435 121.223 0.098 0.000 2.281 407 L HA 0.318 4.660 4.340 0.003 0.000 0.285 407 L C -0.890 175.974 176.870 -0.010 0.000 1.074 407 L CA -0.203 54.673 54.840 0.059 0.000 0.817 407 L CB 1.266 43.335 42.059 0.016 0.000 1.168 407 L HN -0.171 nan 8.230 nan 0.000 0.434 408 D N 5.676 126.047 120.400 -0.047 0.000 2.414 408 D HA 0.404 5.046 4.640 0.003 0.000 0.232 408 D C -0.823 175.436 176.300 -0.069 0.000 1.070 408 D CA -0.094 53.880 54.000 -0.044 0.000 0.839 408 D CB 0.524 41.311 40.800 -0.023 0.000 1.079 408 D HN 0.464 nan 8.370 nan 0.000 0.521 409 I N 2.920 123.445 120.570 -0.076 0.000 2.530 409 I HA 0.448 4.620 4.170 0.003 0.000 0.297 409 I C -0.478 175.593 176.117 -0.076 0.000 1.011 409 I CA -1.107 60.132 61.300 -0.102 0.000 1.107 409 I CB 1.872 39.765 38.000 -0.178 0.000 1.285 409 I HN 0.317 nan 8.210 nan 0.000 0.436 410 M N 7.559 127.120 119.600 -0.065 0.000 2.149 410 M HA 0.455 4.936 4.480 0.003 0.000 0.273 410 M C -1.637 174.652 176.300 -0.018 0.000 0.972 410 M CA -0.550 54.726 55.300 -0.041 0.000 0.984 410 M CB 1.507 34.079 32.600 -0.047 0.000 1.699 410 M HN 0.304 nan 8.290 nan 0.000 0.462 411 M N 5.690 125.286 119.600 -0.007 0.000 2.108 411 M HA 0.463 4.945 4.480 0.003 0.000 0.354 411 M C -1.234 175.130 176.300 0.107 0.000 1.229 411 M CA -0.604 54.722 55.300 0.043 0.000 1.081 411 M CB 0.548 33.151 32.600 0.005 0.000 1.606 411 M HN 0.787 nan 8.290 nan 0.000 0.467 412 L N 3.925 125.259 121.223 0.186 0.000 2.319 412 L HA 0.515 4.856 4.340 0.003 0.000 0.281 412 L C -0.499 176.575 176.870 0.341 0.000 1.005 412 L CA 0.246 55.233 54.840 0.244 0.000 0.828 412 L CB 1.712 43.910 42.059 0.231 0.000 1.227 412 L HN 0.651 nan 8.230 nan 0.000 0.415 413 T N 6.028 120.746 114.554 0.274 0.000 2.811 413 T HA 0.268 4.619 4.350 0.003 0.000 0.309 413 T C -0.415 174.484 174.700 0.332 0.000 1.005 413 T CA 0.160 62.427 62.100 0.279 0.000 0.955 413 T CB -0.396 68.566 68.868 0.156 0.000 0.970 413 T HN 0.378 nan 8.240 nan 0.000 0.496 414 F N 6.481 126.593 119.950 0.271 0.000 2.494 414 F HA 0.142 4.670 4.527 0.003 0.000 0.351 414 F C 1.805 177.645 175.800 0.067 0.000 1.205 414 F CA -0.691 57.422 58.000 0.187 0.000 1.125 414 F CB 0.177 39.340 39.000 0.273 0.000 1.268 414 F HN 0.668 nan 8.300 nan 0.000 0.593 415 H N 3.740 122.609 119.070 -0.335 0.000 2.544 415 H HA -0.032 4.526 4.556 0.003 0.000 0.269 415 H C 1.378 176.506 175.328 -0.334 0.000 0.970 415 H CA 0.894 56.782 56.048 -0.266 0.000 1.219 415 H CB -0.490 29.089 29.762 -0.305 0.000 1.421 415 H HN 0.636 nan 8.280 nan 0.000 0.555 416 H N 1.583 119.934 119.070 -1.198 0.000 2.321 416 H HA -0.091 4.467 4.556 0.003 0.000 0.295 416 H C 0.522 175.775 175.328 -0.125 0.000 1.102 416 H CA 2.012 57.570 56.048 -0.817 0.000 1.266 416 H CB -0.191 28.890 29.762 -1.134 0.000 1.363 416 H HN 0.493 nan 8.280 nan 0.000 0.492 417 F N -3.204 116.807 119.950 0.102 0.000 2.900 417 F HA 0.575 5.104 4.527 0.003 0.000 0.321 417 F C -0.024 175.979 175.800 0.339 0.000 1.160 417 F CA -0.544 57.593 58.000 0.228 0.000 0.890 417 F CB 0.801 39.918 39.000 0.196 0.000 1.334 417 F HN 0.045 nan 8.300 nan 0.000 0.459 418 G N 0.387 109.520 108.800 0.556 0.000 3.253 418 G HA2 0.333 4.294 3.960 0.003 0.000 0.175 418 G HA3 0.333 4.294 3.960 0.003 0.000 0.175 418 G C -0.315 174.776 174.900 0.318 0.000 1.098 418 G CA -0.637 44.653 45.100 0.316 0.000 0.790 418 G HN 0.677 nan 8.290 nan 0.000 0.648 419 K N 0.620 121.103 120.400 0.138 0.000 2.209 419 K HA -0.083 4.238 4.320 0.003 0.000 0.204 419 K C 2.098 178.724 176.600 0.043 0.000 1.048 419 K CA 1.622 57.952 56.287 0.072 0.000 0.940 419 K CB -0.075 32.447 32.500 0.037 0.000 0.729 419 K HN 0.535 nan 8.250 nan 0.000 0.451 420 D N 1.199 121.654 120.400 0.091 0.000 2.126 420 D HA -0.263 4.378 4.640 0.003 0.000 0.190 420 D C 1.772 178.067 176.300 -0.009 0.000 1.001 420 D CA 1.358 55.392 54.000 0.057 0.000 0.841 420 D CB -0.746 40.119 40.800 0.108 0.000 0.949 420 D HN 0.214 nan 8.370 nan 0.000 0.446 421 F N 2.008 121.857 119.950 -0.169 0.000 2.084 421 F HA 0.054 4.582 4.527 0.003 0.000 0.296 421 F C -0.887 174.685 175.800 -0.379 0.000 1.111 421 F CA 0.585 58.360 58.000 -0.375 0.000 1.224 421 F CB -1.313 37.174 39.000 -0.855 0.000 0.991 421 F HN -0.021 nan 8.300 nan 0.000 0.471 422 P HA -0.220 nan 4.420 nan 0.000 0.215 422 P C 1.355 178.401 177.300 -0.424 0.000 1.157 422 P CA 2.459 65.146 63.100 -0.689 0.000 0.874 422 P CB -0.134 31.278 31.700 -0.480 0.000 0.790 423 K N -0.255 119.985 120.400 -0.266 0.000 2.057 423 K HA -0.113 4.209 4.320 0.003 0.000 0.207 423 K C 2.260 178.742 176.600 -0.197 0.000 1.049 423 K CA 2.006 58.192 56.287 -0.169 0.000 0.931 423 K CB -0.712 31.733 32.500 -0.092 0.000 0.714 423 K HN 0.229 nan 8.250 nan 0.000 0.440 424 S N 0.985 116.535 115.700 -0.249 0.000 2.469 424 S HA -0.091 4.380 4.470 0.003 0.000 0.238 424 S C 1.427 175.865 174.600 -0.270 0.000 0.998 424 S CA 0.945 59.016 58.200 -0.215 0.000 0.957 424 S CB -0.010 63.082 63.200 -0.181 0.000 0.764 424 S HN 0.176 nan 8.310 nan 0.000 0.514 425 E N 0.707 120.664 120.200 -0.405 0.000 2.474 425 E HA 0.148 4.500 4.350 0.003 0.000 0.195 425 E C -0.186 176.301 176.600 -0.188 0.000 1.039 425 E CA -0.016 56.179 56.400 -0.342 0.000 0.881 425 E CB 0.150 29.529 29.700 -0.533 0.000 0.970 425 E HN 0.329 nan 8.360 nan 0.000 0.486 426 K N -0.098 120.208 120.400 -0.157 0.000 3.117 426 K HA -0.178 4.144 4.320 0.003 0.000 0.269 426 K C -0.342 176.218 176.600 -0.066 0.000 1.098 426 K CA 0.504 56.738 56.287 -0.088 0.000 0.785 426 K CB -2.360 30.104 32.500 -0.060 0.000 1.242 426 K HN 0.201 nan 8.250 nan 0.000 0.491 427 L N -0.144 121.028 121.223 -0.084 0.000 2.370 427 L HA 0.359 4.700 4.340 0.003 0.000 0.266 427 L C 0.691 177.561 176.870 -0.000 0.000 1.002 427 L CA -0.928 53.900 54.840 -0.020 0.000 0.818 427 L CB 2.029 44.103 42.059 0.025 0.000 1.325 427 L HN 0.101 nan 8.230 nan 0.000 0.418 428 S N 2.350 118.081 115.700 0.052 0.000 2.498 428 S HA 0.163 4.635 4.470 0.003 0.000 0.281 428 S C -1.684 172.979 174.600 0.105 0.000 1.265 428 S CA -0.944 57.299 58.200 0.072 0.000 1.071 428 S CB 0.863 64.125 63.200 0.102 0.000 0.894 428 S HN 0.364 nan 8.310 nan 0.000 0.491 429 P HA -0.118 nan 4.420 nan 0.000 0.214 429 P C 1.000 178.403 177.300 0.171 0.000 1.163 429 P CA 1.262 64.419 63.100 0.094 0.000 0.889 429 P CB 0.056 31.793 31.700 0.062 0.000 0.790 430 D N -0.961 119.537 120.400 0.163 0.000 2.123 430 D HA -0.160 4.481 4.640 0.003 0.000 0.196 430 D C 1.892 178.247 176.300 0.090 0.000 0.992 430 D CA 1.487 55.606 54.000 0.198 0.000 0.833 430 D CB -0.616 40.318 40.800 0.222 0.000 0.954 430 D HN -0.022 nan 8.370 nan 0.000 0.455 431 A N -0.551 122.314 122.820 0.075 0.000 1.933 431 A HA -0.104 4.217 4.320 0.003 0.000 0.218 431 A C 2.124 179.649 177.584 -0.098 0.000 1.175 431 A CA 1.114 53.083 52.037 -0.112 0.000 0.628 431 A CB -1.127 17.944 19.000 0.118 0.000 0.814 431 A HN 0.439 nan 8.150 nan 0.000 0.444 432 F N 0.704 120.606 119.950 -0.081 0.000 2.102 432 F HA -0.166 4.362 4.527 0.003 0.000 0.298 432 F C 1.966 177.732 175.800 -0.058 0.000 1.105 432 F CA 1.834 59.806 58.000 -0.047 0.000 1.239 432 F CB -0.225 38.794 39.000 0.031 0.000 0.991 432 F HN 0.183 nan 8.300 nan 0.000 0.474 433 I N -0.041 120.665 120.570 0.226 0.000 2.226 433 I HA -0.302 3.870 4.170 0.003 0.000 0.245 433 I C 2.444 178.479 176.117 -0.137 0.000 1.100 433 I CA 1.034 62.352 61.300 0.030 0.000 1.374 433 I CB -0.609 37.319 38.000 -0.121 0.000 1.057 433 I HN 0.217 nan 8.210 nan 0.000 0.413 434 Q N 0.291 119.979 119.800 -0.186 0.000 2.084 434 Q HA -0.147 4.195 4.340 0.003 0.000 0.202 434 Q C 2.517 178.409 176.000 -0.179 0.000 0.978 434 Q CA 1.407 57.078 55.803 -0.219 0.000 0.844 434 Q CB -0.524 27.905 28.738 -0.513 0.000 0.898 434 Q HN 0.398 nan 8.270 nan 0.000 0.426 435 V N 1.189 120.966 119.914 -0.228 0.000 2.407 435 V HA -0.243 3.879 4.120 0.003 0.000 0.248 435 V C 2.364 178.423 176.094 -0.058 0.000 1.055 435 V CA 1.645 63.863 62.300 -0.137 0.000 1.049 435 V CB -0.989 30.681 31.823 -0.254 0.000 0.662 435 V HN 0.319 nan 8.190 nan 0.000 0.455 436 A N -0.258 122.471 122.820 -0.152 0.000 1.933 436 A HA -0.179 4.142 4.320 0.003 0.000 0.218 436 A C 2.140 179.704 177.584 -0.034 0.000 1.175 436 A CA 1.917 53.896 52.037 -0.098 0.000 0.628 436 A CB -0.508 18.398 19.000 -0.156 0.000 0.814 436 A HN 0.448 nan 8.150 nan 0.000 0.444 437 L N -0.554 120.635 121.223 -0.056 0.000 2.056 437 L HA -0.162 4.179 4.340 0.003 0.000 0.207 437 L C 2.390 179.307 176.870 0.079 0.000 1.078 437 L CA 1.992 56.821 54.840 -0.019 0.000 0.749 437 L CB -0.637 41.405 42.059 -0.028 0.000 0.901 437 L HN 0.341 nan 8.230 nan 0.000 0.433 438 Q N -0.699 119.152 119.800 0.085 0.000 2.084 438 Q HA -0.200 4.142 4.340 0.003 0.000 0.202 438 Q C 2.267 178.388 176.000 0.201 0.000 0.978 438 Q CA 1.811 57.701 55.803 0.146 0.000 0.844 438 Q CB -0.807 28.004 28.738 0.121 0.000 0.898 438 Q HN 0.490 nan 8.270 nan 0.000 0.426 439 L N 0.769 122.087 121.223 0.158 0.000 2.012 439 L HA -0.114 4.228 4.340 0.003 0.000 0.210 439 L C 2.152 179.125 176.870 0.171 0.000 1.073 439 L CA 2.294 57.211 54.840 0.128 0.000 0.748 439 L CB -1.007 41.113 42.059 0.102 0.000 0.891 439 L HN 0.135 nan 8.230 nan 0.000 0.431 440 A N -1.505 121.403 122.820 0.147 0.000 1.908 440 A HA -0.302 4.020 4.320 0.003 0.000 0.218 440 A C 2.331 179.985 177.584 0.118 0.000 1.181 440 A CA 1.985 54.114 52.037 0.152 0.000 0.627 440 A CB -1.249 17.806 19.000 0.092 0.000 0.818 440 A HN 0.656 nan 8.150 nan 0.000 0.445 441 Y N -1.778 118.567 120.300 0.076 0.000 2.163 441 Y HA -0.226 4.326 4.550 0.003 0.000 0.288 441 Y C 2.276 178.294 175.900 0.196 0.000 1.136 441 Y CA 2.116 60.302 58.100 0.143 0.000 1.147 441 Y CB -0.471 38.092 38.460 0.172 0.000 0.987 441 Y HN 0.418 nan 8.280 nan 0.000 0.509 442 Y N 0.971 121.417 120.300 0.243 0.000 2.224 442 Y HA -0.221 4.330 4.550 0.003 0.000 0.289 442 Y C 2.418 178.323 175.900 0.009 0.000 1.146 442 Y CA 1.802 59.990 58.100 0.146 0.000 1.182 442 Y CB -0.330 38.194 38.460 0.107 0.000 0.983 442 Y HN 0.013 nan 8.280 nan 0.000 0.524 443 R N -0.337 120.199 120.500 0.060 0.000 2.120 443 R HA -0.130 4.212 4.340 0.003 0.000 0.234 443 R C 2.126 178.288 176.300 -0.231 0.000 1.123 443 R CA 1.816 57.907 56.100 -0.015 0.000 0.975 443 R CB -0.280 30.132 30.300 0.187 0.000 0.866 443 R HN 0.418 nan 8.270 nan 0.000 0.446 444 I N -1.340 118.940 120.570 -0.483 0.000 2.339 444 I HA -0.181 3.990 4.170 0.003 0.000 0.245 444 I C 1.188 176.777 176.117 -0.880 0.000 1.096 444 I CA 1.180 61.954 61.300 -0.878 0.000 1.408 444 I CB 0.014 37.255 38.000 -1.265 0.000 1.092 444 I HN 0.113 nan 8.210 nan 0.000 0.423 445 Y N 0.395 120.413 120.300 -0.469 0.000 2.449 445 Y HA 0.321 4.872 4.550 0.003 0.000 0.254 445 Y C 1.800 177.521 175.900 -0.298 0.000 1.140 445 Y CA 0.344 58.228 58.100 -0.360 0.000 1.272 445 Y CB 0.296 38.508 38.460 -0.414 0.000 1.114 445 Y HN 0.261 nan 8.280 nan 0.000 0.525 446 G N 1.033 109.611 108.800 -0.370 0.000 2.155 446 G HA2 -0.268 3.694 3.960 0.003 0.000 0.257 446 G HA3 -0.268 3.694 3.960 0.003 0.000 0.257 446 G C -0.028 174.585 174.900 -0.477 0.000 0.983 446 G CA 0.589 45.329 45.100 -0.599 0.000 0.676 446 G HN 0.500 nan 8.290 nan 0.000 0.528 447 Q N -1.780 117.955 119.800 -0.107 0.000 2.633 447 Q HA 0.779 5.120 4.340 0.003 0.000 0.289 447 Q C -0.237 176.077 176.000 0.523 0.000 0.940 447 Q CA -0.495 55.488 55.803 0.300 0.000 0.785 447 Q CB 0.823 29.683 28.738 0.205 0.000 1.467 447 Q HN 1.341 nan 8.270 nan 0.000 0.401 448 A N 0.482 123.567 122.820 0.442 0.000 2.280 448 A HA 0.817 5.139 4.320 0.003 0.000 0.268 448 A C 0.135 177.834 177.584 0.193 0.000 1.111 448 A CA 0.233 52.461 52.037 0.318 0.000 0.814 448 A CB 0.372 19.489 19.000 0.194 0.000 1.093 448 A HN 1.278 nan 8.150 nan 0.000 0.498 449 C N -2.426 116.874 119.300 -0.001 0.000 3.170 449 C HA 0.798 5.259 4.460 0.003 0.000 0.319 449 C C 0.251 175.226 174.990 -0.025 0.000 1.260 449 C CA -0.519 58.456 59.018 -0.071 0.000 1.374 449 C CB 0.643 28.183 27.740 -0.333 0.000 1.739 449 C HN 1.936 nan 8.230 nan 0.000 0.479 450 A N 2.263 125.114 122.820 0.052 0.000 2.561 450 A HA 0.502 4.823 4.320 0.003 0.000 0.251 450 A C 0.455 178.207 177.584 0.279 0.000 1.062 450 A CA 0.886 53.017 52.037 0.156 0.000 0.761 450 A CB -0.501 18.519 19.000 0.033 0.000 0.986 450 A HN 1.071 nan 8.150 nan 0.000 0.510 451 T N 2.548 117.286 114.554 0.307 0.000 2.841 451 T HA 0.498 4.850 4.350 0.003 0.000 0.283 451 T C -1.022 173.776 174.700 0.163 0.000 1.000 451 T CA -0.051 62.185 62.100 0.228 0.000 0.977 451 T CB 0.960 69.880 68.868 0.086 0.000 0.979 451 T HN 0.519 nan 8.240 nan 0.000 0.446 452 Y N 2.213 122.396 120.300 -0.195 0.000 2.364 452 Y HA 0.565 5.117 4.550 0.003 0.000 0.340 452 Y C -0.232 175.517 175.900 -0.252 0.000 0.975 452 Y CA -0.757 57.008 58.100 -0.559 0.000 1.089 452 Y CB 1.147 38.828 38.460 -1.297 0.000 1.192 452 Y HN 0.683 nan 8.280 nan 0.000 0.454 453 E N 4.334 124.258 120.200 -0.459 0.000 2.241 453 E HA 0.375 4.726 4.350 0.003 0.000 0.263 453 E C -1.290 175.049 176.600 -0.435 0.000 0.882 453 E CA -0.783 55.500 56.400 -0.195 0.000 0.769 453 E CB 1.350 31.025 29.700 -0.041 0.000 1.185 453 E HN 0.678 nan 8.360 nan 0.000 0.415 454 S N 2.140 117.752 115.700 -0.147 0.000 2.546 454 S HA 0.365 4.836 4.470 0.003 0.000 0.290 454 S C -0.312 174.206 174.600 -0.137 0.000 1.290 454 S CA 0.060 58.194 58.200 -0.110 0.000 1.069 454 S CB 0.961 64.203 63.200 0.070 0.000 0.846 454 S HN 0.570 nan 8.310 nan 0.000 0.495 455 A N 2.692 125.413 122.820 -0.165 0.000 2.356 455 A HA 0.658 4.979 4.320 0.003 0.000 0.310 455 A C 0.008 177.547 177.584 -0.075 0.000 1.075 455 A CA -0.665 51.306 52.037 -0.110 0.000 0.746 455 A CB 1.377 20.297 19.000 -0.134 0.000 1.221 455 A HN 0.639 nan 8.150 nan 0.000 0.443 456 S N 1.781 117.461 115.700 -0.034 0.000 2.523 456 S HA 0.403 4.875 4.470 0.003 0.000 0.275 456 S C 0.328 174.928 174.600 -0.001 0.000 1.281 456 S CA -0.413 57.776 58.200 -0.019 0.000 1.050 456 S CB 0.104 63.300 63.200 -0.005 0.000 0.937 456 S HN 0.588 nan 8.310 nan 0.000 0.492 457 L N 5.593 126.821 121.223 0.008 0.000 2.872 457 L HA 0.305 4.646 4.340 0.003 0.000 0.245 457 L C 1.731 178.656 176.870 0.092 0.000 1.211 457 L CA 0.311 55.213 54.840 0.103 0.000 1.013 457 L CB -0.569 41.543 42.059 0.088 0.000 1.326 457 L HN 0.734 nan 8.230 nan 0.000 0.525 458 R N 0.488 120.995 120.500 0.013 0.000 2.341 458 R HA -0.122 4.220 4.340 0.003 0.000 0.213 458 R C 2.067 178.324 176.300 -0.070 0.000 1.082 458 R CA 0.888 56.986 56.100 -0.003 0.000 1.017 458 R CB -0.117 30.186 30.300 0.006 0.000 0.860 458 R HN 0.463 nan 8.270 nan 0.000 0.473 459 M N -1.579 117.896 119.600 -0.208 0.000 2.619 459 M HA 0.104 4.585 4.480 0.003 0.000 0.251 459 M C -0.418 175.539 176.300 -0.571 0.000 1.106 459 M CA 1.183 56.239 55.300 -0.406 0.000 1.086 459 M CB 0.244 32.513 32.600 -0.552 0.000 1.465 459 M HN -0.227 nan 8.290 nan 0.000 0.506 460 F N 0.177 120.126 119.950 -0.002 0.000 2.492 460 F HA 0.380 4.908 4.527 0.003 0.000 0.327 460 F C 0.686 176.500 175.800 0.024 0.000 1.079 460 F CA -1.255 56.749 58.000 0.007 0.000 0.967 460 F CB 0.588 39.582 39.000 -0.009 0.000 1.169 460 F HN 0.001 nan 8.300 nan 0.000 0.472 461 H N 4.127 123.271 119.070 0.122 0.000 3.125 461 H HA 0.006 4.563 4.556 0.003 0.000 0.310 461 H C 0.835 176.184 175.328 0.034 0.000 0.980 461 H CA 0.639 56.709 56.048 0.037 0.000 1.422 461 H CB 0.382 30.153 29.762 0.014 0.000 1.432 461 H HN 0.868 nan 8.280 nan 0.000 0.577 462 L N 2.792 123.830 121.223 -0.309 0.000 4.625 462 L HA -0.254 4.088 4.340 0.003 0.000 0.428 462 L C 1.108 177.907 176.870 -0.119 0.000 1.129 462 L CA 0.658 55.329 54.840 -0.281 0.000 0.978 462 L CB -1.752 40.037 42.059 -0.450 0.000 2.043 462 L HN 0.802 nan 8.230 nan 0.000 0.847 463 G N -0.070 108.707 108.800 -0.037 0.000 2.353 463 G HA2 0.271 4.233 3.960 0.003 0.000 0.239 463 G HA3 0.271 4.233 3.960 0.003 0.000 0.239 463 G C 0.811 175.691 174.900 -0.032 0.000 1.295 463 G CA -0.193 44.898 45.100 -0.014 0.000 0.884 463 G HN 0.142 nan 8.290 nan 0.000 0.537 464 R N 0.485 120.936 120.500 -0.083 0.000 1.792 464 R HA 0.365 4.707 4.340 0.003 0.000 0.139 464 R C 0.999 177.236 176.300 -0.106 0.000 2.091 464 R CA 1.044 57.109 56.100 -0.059 0.000 1.697 464 R CB -0.533 29.747 30.300 -0.032 0.000 1.340 464 R HN 0.708 nan 8.270 nan 0.000 0.481 465 T N -1.399 112.994 114.554 -0.269 0.000 2.816 465 T HA 0.528 4.880 4.350 0.003 0.000 0.299 465 T C -1.001 173.457 174.700 -0.404 0.000 1.230 465 T CA -0.841 61.106 62.100 -0.255 0.000 1.007 465 T CB 2.913 71.691 68.868 -0.151 0.000 1.289 465 T HN 0.070 nan 8.240 nan 0.000 0.508 466 D N -0.843 119.378 120.400 -0.297 0.000 2.732 466 D HA 0.574 5.216 4.640 0.003 0.000 0.292 466 D C -1.063 175.019 176.300 -0.364 0.000 1.135 466 D CA -0.262 53.553 54.000 -0.307 0.000 1.071 466 D CB 2.588 43.281 40.800 -0.179 0.000 1.457 466 D HN 0.680 nan 8.370 nan 0.000 0.547 467 T N 0.953 115.277 114.554 -0.384 0.000 2.779 467 T HA 0.539 4.890 4.350 0.003 0.000 0.280 467 T C 0.118 174.519 174.700 -0.498 0.000 0.987 467 T CA -0.401 61.326 62.100 -0.621 0.000 0.966 467 T CB 0.633 69.162 68.868 -0.565 0.000 0.933 467 T HN 0.154 nan 8.240 nan 0.000 0.442 468 I N 3.403 123.600 120.570 -0.622 0.000 2.321 468 I HA 0.350 4.521 4.170 0.003 0.000 0.291 468 I C 0.560 176.195 176.117 -0.803 0.000 0.998 468 I CA -0.659 60.192 61.300 -0.748 0.000 1.227 468 I CB 1.079 38.754 38.000 -0.541 0.000 1.368 468 I HN 0.323 nan 8.210 nan 0.000 0.466 469 R N 4.267 124.109 120.500 -1.096 0.000 2.205 469 R HA 0.228 4.570 4.340 0.003 0.000 0.342 469 R C 0.856 176.946 176.300 -0.352 0.000 1.058 469 R CA -0.184 55.634 56.100 -0.470 0.000 0.904 469 R CB 0.885 31.135 30.300 -0.083 0.000 1.089 469 R HN 0.623 nan 8.270 nan 0.000 0.471 470 S N 1.637 117.272 115.700 -0.109 0.000 2.453 470 S HA -0.055 4.417 4.470 0.003 0.000 0.231 470 S C 0.891 175.555 174.600 0.108 0.000 1.005 470 S CA 0.532 58.788 58.200 0.094 0.000 0.949 470 S CB 0.297 63.575 63.200 0.131 0.000 0.774 470 S HN 0.674 nan 8.310 nan 0.000 0.510 471 A N 2.256 125.130 122.820 0.091 0.000 2.302 471 A HA 0.624 4.946 4.320 0.003 0.000 0.295 471 A C 0.479 178.149 177.584 0.143 0.000 1.235 471 A CA -0.522 51.582 52.037 0.112 0.000 0.876 471 A CB 0.267 19.331 19.000 0.107 0.000 1.133 471 A HN 0.354 nan 8.150 nan 0.000 0.533 472 S N 1.809 117.593 115.700 0.140 0.000 2.794 472 S HA 0.593 5.064 4.470 0.003 0.000 0.299 472 S C 0.728 175.396 174.600 0.113 0.000 1.179 472 S CA -0.550 57.744 58.200 0.157 0.000 0.838 472 S CB 0.270 63.585 63.200 0.190 0.000 1.206 472 S HN 0.386 nan 8.310 nan 0.000 0.523 473 I N 1.136 121.768 120.570 0.104 0.000 2.252 473 I HA -0.133 4.039 4.170 0.003 0.000 0.245 473 I C 1.686 177.838 176.117 0.058 0.000 1.102 473 I CA 1.392 62.728 61.300 0.060 0.000 1.385 473 I CB -0.372 37.656 38.000 0.047 0.000 1.064 473 I HN 0.628 nan 8.210 nan 0.000 0.414 474 D N 0.385 120.833 120.400 0.080 0.000 2.149 474 D HA -0.122 4.520 4.640 0.003 0.000 0.201 474 D C 2.403 178.764 176.300 0.101 0.000 0.972 474 D CA 1.773 55.821 54.000 0.079 0.000 0.835 474 D CB -0.128 40.719 40.800 0.078 0.000 0.966 474 D HN 0.358 nan 8.370 nan 0.000 0.476 475 S N 0.898 116.665 115.700 0.111 0.000 2.368 475 S HA -0.138 4.333 4.470 0.003 0.000 0.224 475 S C 2.070 176.730 174.600 0.100 0.000 1.029 475 S CA 0.492 58.776 58.200 0.141 0.000 0.988 475 S CB -0.560 62.717 63.200 0.129 0.000 0.838 475 S HN 0.146 nan 8.310 nan 0.000 0.462 476 L N 2.240 123.483 121.223 0.033 0.000 2.083 476 L HA 0.222 4.563 4.340 0.003 0.000 0.209 476 L C 2.658 179.460 176.870 -0.115 0.000 1.083 476 L CA 1.600 56.395 54.840 -0.075 0.000 0.752 476 L CB -1.294 40.743 42.059 -0.036 0.000 0.899 476 L HN 0.382 nan 8.230 nan 0.000 0.433 477 A N -1.101 121.707 122.820 -0.020 0.000 1.972 477 A HA -0.233 4.088 4.320 0.003 0.000 0.219 477 A C 2.190 179.780 177.584 0.010 0.000 1.169 477 A CA 1.723 53.753 52.037 -0.012 0.000 0.635 477 A CB -1.012 18.004 19.000 0.027 0.000 0.810 477 A HN 0.563 nan 8.150 nan 0.000 0.446 478 F N 1.217 121.114 119.950 -0.088 0.000 2.098 478 F HA -0.108 4.421 4.527 0.003 0.000 0.294 478 F C 2.290 178.024 175.800 -0.111 0.000 1.107 478 F CA 1.908 59.861 58.000 -0.079 0.000 1.234 478 F CB -0.658 38.306 39.000 -0.061 0.000 1.002 478 F HN 0.109 nan 8.300 nan 0.000 0.472 479 V N -0.821 118.781 119.914 -0.519 0.000 2.469 479 V HA -0.234 3.888 4.120 0.003 0.000 0.251 479 V C 2.221 177.957 176.094 -0.596 0.000 1.064 479 V CA 2.093 63.993 62.300 -0.666 0.000 1.066 479 V CB -1.110 30.407 31.823 -0.510 0.000 0.667 479 V HN 0.366 nan 8.190 nan 0.000 0.461 480 K N 1.235 121.313 120.400 -0.538 0.000 2.007 480 K HA 0.068 4.390 4.320 0.003 0.000 0.206 480 K C 2.373 178.878 176.600 -0.159 0.000 1.047 480 K CA 1.434 57.535 56.287 -0.309 0.000 0.937 480 K CB -0.843 31.527 32.500 -0.217 0.000 0.718 480 K HN 0.572 nan 8.250 nan 0.000 0.438 481 G N 1.248 109.953 108.800 -0.157 0.000 2.448 481 G HA2 -0.261 3.701 3.960 0.003 0.000 0.219 481 G HA3 -0.261 3.701 3.960 0.003 0.000 0.219 481 G C 1.448 176.275 174.900 -0.122 0.000 1.127 481 G CA 0.689 45.734 45.100 -0.091 0.000 0.766 481 G HN 0.149 nan 8.290 nan 0.000 0.552 482 M N 1.541 120.974 119.600 -0.279 0.000 2.117 482 M HA 0.137 4.619 4.480 0.003 0.000 0.262 482 M C 2.189 178.406 176.300 -0.137 0.000 1.065 482 M CA 1.772 56.896 55.300 -0.293 0.000 1.114 482 M CB -0.493 31.687 32.600 -0.700 0.000 1.361 482 M HN 0.057 nan 8.290 nan 0.000 0.408 483 G N -0.414 108.327 108.800 -0.099 0.000 3.314 483 G HA2 -0.004 3.957 3.960 0.003 0.000 0.238 483 G HA3 -0.004 3.957 3.960 0.003 0.000 0.238 483 G C -0.310 174.594 174.900 0.007 0.000 1.184 483 G CA -0.197 44.897 45.100 -0.010 0.000 0.806 483 G HN 0.420 nan 8.290 nan 0.000 0.536 484 D N 1.134 121.527 120.400 -0.011 0.000 2.359 484 D HA 0.147 4.789 4.640 0.003 0.000 0.230 484 D C 1.553 177.855 176.300 0.003 0.000 1.118 484 D CA -0.254 53.747 54.000 0.002 0.000 0.844 484 D CB 1.277 42.074 40.800 -0.005 0.000 1.059 484 D HN 0.111 nan 8.370 nan 0.000 0.493 485 S N 1.464 117.169 115.700 0.008 0.000 2.660 485 S HA -0.100 4.371 4.470 0.003 0.000 0.228 485 S C 1.332 175.938 174.600 0.009 0.000 0.966 485 S CA 0.625 58.830 58.200 0.009 0.000 0.940 485 S CB -0.370 62.836 63.200 0.009 0.000 0.773 485 S HN 0.499 nan 8.310 nan 0.000 0.535 486 T N -2.049 112.510 114.554 0.008 0.000 3.040 486 T HA 0.396 4.748 4.350 0.003 0.000 0.266 486 T C 0.045 174.749 174.700 0.006 0.000 1.005 486 T CA -0.319 61.786 62.100 0.008 0.000 0.906 486 T CB 0.080 68.953 68.868 0.007 0.000 1.082 486 T HN 0.131 nan 8.240 nan 0.000 0.531 487 V N 3.338 123.255 119.914 0.005 0.000 2.398 487 V HA 0.451 4.572 4.120 0.003 0.000 0.286 487 V C -2.432 173.665 176.094 0.005 0.000 1.026 487 V CA -2.328 59.974 62.300 0.003 0.000 0.868 487 V CB 1.413 33.235 31.823 -0.001 0.000 0.982 487 V HN 0.205 nan 8.190 nan 0.000 0.443 488 P HA 0.010 nan 4.420 nan 0.000 0.262 488 P C 0.923 178.209 177.300 -0.023 0.000 1.182 488 P CA 0.355 63.449 63.100 -0.009 0.000 0.761 488 P CB 0.625 32.312 31.700 -0.022 0.000 0.795 489 E N 2.444 122.642 120.200 -0.003 0.000 2.097 489 E HA -0.323 4.029 4.350 0.003 0.000 0.196 489 E C 1.597 178.090 176.600 -0.180 0.000 1.000 489 E CA 1.121 57.531 56.400 0.016 0.000 0.804 489 E CB 0.009 29.832 29.700 0.206 0.000 0.740 489 E HN 0.459 nan 8.360 nan 0.000 0.454 490 Q N 0.382 119.927 119.800 -0.425 0.000 2.224 490 Q HA -0.207 4.135 4.340 0.003 0.000 0.203 490 Q C 1.940 177.820 176.000 -0.200 0.000 0.970 490 Q CA 1.332 56.801 55.803 -0.556 0.000 0.865 490 Q CB 0.077 28.530 28.738 -0.476 0.000 0.922 490 Q HN 0.189 nan 8.270 nan 0.000 0.445 491 Q N 0.861 120.597 119.800 -0.108 0.000 2.172 491 Q HA -0.070 4.272 4.340 0.003 0.000 0.200 491 Q C 1.524 177.529 176.000 0.008 0.000 0.964 491 Q CA 1.564 57.344 55.803 -0.037 0.000 0.855 491 Q CB 0.065 28.791 28.738 -0.020 0.000 0.918 491 Q HN 0.303 nan 8.270 nan 0.000 0.444 492 K N -0.726 119.689 120.400 0.026 0.000 2.211 492 K HA -0.037 4.284 4.320 0.003 0.000 0.203 492 K C 1.941 178.636 176.600 0.158 0.000 1.050 492 K CA 1.101 57.459 56.287 0.120 0.000 0.945 492 K CB 0.024 32.599 32.500 0.125 0.000 0.732 492 K HN 0.048 nan 8.250 nan 0.000 0.451 493 V N 2.187 122.141 119.914 0.067 0.000 2.295 493 V HA -0.255 3.867 4.120 0.003 0.000 0.246 493 V C 2.016 178.122 176.094 0.020 0.000 1.049 493 V CA 1.834 64.166 62.300 0.053 0.000 1.024 493 V CB -0.454 31.382 31.823 0.021 0.000 0.648 493 V HN 0.343 nan 8.190 nan 0.000 0.447 494 E N 0.146 120.354 120.200 0.012 0.000 2.058 494 E HA -0.216 4.136 4.350 0.003 0.000 0.194 494 E C 2.237 178.843 176.600 0.010 0.000 0.997 494 E CA 1.399 57.802 56.400 0.006 0.000 0.801 494 E CB -0.286 29.417 29.700 0.006 0.000 0.746 494 E HN 0.489 nan 8.360 nan 0.000 0.450 495 L N 0.821 122.077 121.223 0.055 0.000 2.079 495 L HA -0.192 4.150 4.340 0.003 0.000 0.210 495 L C 2.604 179.461 176.870 -0.023 0.000 1.081 495 L CA 0.720 55.617 54.840 0.096 0.000 0.752 495 L CB -0.345 41.849 42.059 0.224 0.000 0.896 495 L HN 0.209 nan 8.230 nan 0.000 0.433 496 L N -0.248 120.876 121.223 -0.167 0.000 2.005 496 L HA -0.217 4.125 4.340 0.003 0.000 0.207 496 L C 2.918 179.550 176.870 -0.398 0.000 1.072 496 L CA 1.410 55.812 54.840 -0.729 0.000 0.744 496 L CB -0.162 41.559 42.059 -0.564 0.000 0.895 496 L HN 0.136 nan 8.230 nan 0.000 0.433 497 R N -0.238 120.155 120.500 -0.178 0.000 2.096 497 R HA -0.226 4.116 4.340 0.003 0.000 0.235 497 R C 2.347 178.605 176.300 -0.070 0.000 1.127 497 R CA 1.766 57.809 56.100 -0.095 0.000 0.968 497 R CB -0.288 29.988 30.300 -0.040 0.000 0.861 497 R HN 0.324 nan 8.270 nan 0.000 0.440 498 K N 0.579 120.945 120.400 -0.057 0.000 2.097 498 K HA -0.102 4.219 4.320 0.003 0.000 0.206 498 K C 2.039 178.632 176.600 -0.012 0.000 1.049 498 K CA 1.329 57.607 56.287 -0.016 0.000 0.933 498 K CB -0.054 32.449 32.500 0.005 0.000 0.717 498 K HN 0.167 nan 8.250 nan 0.000 0.442 499 A N 0.400 123.183 122.820 -0.062 0.000 1.873 499 A HA -0.100 4.222 4.320 0.003 0.000 0.215 499 A C 2.216 179.794 177.584 -0.010 0.000 1.186 499 A CA 1.597 53.613 52.037 -0.035 0.000 0.616 499 A CB -0.660 18.274 19.000 -0.110 0.000 0.823 499 A HN 0.150 nan 8.150 nan 0.000 0.442 500 V N 0.079 119.946 119.914 -0.078 0.000 2.287 500 V HA -0.279 3.843 4.120 0.003 0.000 0.248 500 V C 2.760 178.894 176.094 0.067 0.000 1.053 500 V CA 2.095 64.386 62.300 -0.015 0.000 1.027 500 V CB -0.813 30.987 31.823 -0.038 0.000 0.646 500 V HN 0.527 nan 8.190 nan 0.000 0.447 501 Q N -0.142 119.682 119.800 0.040 0.000 2.084 501 Q HA -0.139 4.203 4.340 0.003 0.000 0.202 501 Q C 2.439 178.487 176.000 0.081 0.000 0.978 501 Q CA 1.975 57.812 55.803 0.056 0.000 0.844 501 Q CB -0.815 27.944 28.738 0.034 0.000 0.898 501 Q HN 0.659 nan 8.270 nan 0.000 0.426 502 A N 0.694 123.566 122.820 0.087 0.000 1.902 502 A HA -0.230 4.092 4.320 0.003 0.000 0.217 502 A C 2.055 179.725 177.584 0.144 0.000 1.181 502 A CA 1.738 53.839 52.037 0.107 0.000 0.623 502 A CB -0.863 18.203 19.000 0.110 0.000 0.818 502 A HN 0.454 nan 8.150 nan 0.000 0.443 503 H N -0.356 118.759 119.070 0.075 0.000 2.389 503 H HA -0.097 4.460 4.556 0.003 0.000 0.299 503 H C 2.272 177.650 175.328 0.084 0.000 1.081 503 H CA 1.917 58.010 56.048 0.075 0.000 1.345 503 H CB -0.000 29.779 29.762 0.029 0.000 1.393 503 H HN 0.400 nan 8.280 nan 0.000 0.520 504 R N 0.988 121.599 120.500 0.184 0.000 2.092 504 R HA -0.008 4.334 4.340 0.003 0.000 0.231 504 R C 2.406 178.747 176.300 0.068 0.000 1.119 504 R CA 1.536 57.715 56.100 0.132 0.000 0.970 504 R CB -0.798 29.571 30.300 0.114 0.000 0.864 504 R HN 0.303 nan 8.270 nan 0.000 0.440 505 A N -0.727 122.131 122.820 0.063 0.000 1.898 505 A HA -0.164 4.158 4.320 0.003 0.000 0.216 505 A C 2.215 179.808 177.584 0.015 0.000 1.181 505 A CA 1.378 53.436 52.037 0.036 0.000 0.620 505 A CB -0.950 18.070 19.000 0.033 0.000 0.819 505 A HN 0.573 nan 8.150 nan 0.000 0.442 506 Y N 0.888 121.107 120.300 -0.135 0.000 2.181 506 Y HA -0.214 4.338 4.550 0.003 0.000 0.288 506 Y C 2.779 178.557 175.900 -0.204 0.000 1.146 506 Y CA 1.837 59.814 58.100 -0.206 0.000 1.164 506 Y CB -0.133 38.175 38.460 -0.254 0.000 0.982 506 Y HN 0.359 nan 8.280 nan 0.000 0.515 507 T N -0.014 114.552 114.554 0.020 0.000 2.720 507 T HA -0.204 4.148 4.350 0.003 0.000 0.268 507 T C 1.281 175.998 174.700 0.028 0.000 1.037 507 T CA 1.606 63.697 62.100 -0.016 0.000 1.144 507 T CB -0.363 68.496 68.868 -0.014 0.000 0.864 507 T HN 0.405 nan 8.240 nan 0.000 0.444 508 D N 0.855 121.274 120.400 0.033 0.000 2.144 508 D HA -0.035 4.607 4.640 0.003 0.000 0.199 508 D C 2.417 178.738 176.300 0.034 0.000 0.984 508 D CA 0.878 54.899 54.000 0.035 0.000 0.834 508 D CB -0.159 40.662 40.800 0.035 0.000 0.955 508 D HN 0.348 nan 8.370 nan 0.000 0.465 509 R N 0.646 121.150 120.500 0.007 0.000 2.092 509 R HA -0.002 4.340 4.340 0.003 0.000 0.231 509 R C 2.325 178.641 176.300 0.026 0.000 1.119 509 R CA 1.006 57.099 56.100 -0.012 0.000 0.970 509 R CB -0.200 30.005 30.300 -0.157 0.000 0.864 509 R HN 0.068 nan 8.270 nan 0.000 0.440 510 A N 2.153 124.997 122.820 0.041 0.000 1.877 510 A HA -0.155 4.166 4.320 0.003 0.000 0.216 510 A C 2.201 179.824 177.584 0.064 0.000 1.186 510 A CA 1.596 53.662 52.037 0.049 0.000 0.620 510 A CB -0.673 18.349 19.000 0.037 0.000 0.822 510 A HN 0.455 nan 8.150 nan 0.000 0.443 511 I N -3.770 116.838 120.570 0.062 0.000 2.916 511 I HA -0.043 4.129 4.170 0.003 0.000 0.267 511 I C 1.682 177.893 176.117 0.157 0.000 1.263 511 I CA 1.142 62.489 61.300 0.078 0.000 1.471 511 I CB -0.248 37.773 38.000 0.035 0.000 1.089 511 I HN 0.103 nan 8.210 nan 0.000 0.468 512 R N 1.579 122.193 120.500 0.189 0.000 2.427 512 R HA 0.269 4.611 4.340 0.003 0.000 0.262 512 R C 1.094 177.649 176.300 0.424 0.000 0.943 512 R CA 0.458 56.740 56.100 0.303 0.000 1.081 512 R CB 0.512 30.919 30.300 0.178 0.000 1.166 512 R HN 0.587 nan 8.270 nan 0.000 0.534 513 G N 1.545 110.532 108.800 0.312 0.000 2.176 513 G HA2 -0.301 3.660 3.960 0.003 0.000 0.252 513 G HA3 -0.301 3.660 3.960 0.003 0.000 0.252 513 G C 0.327 175.263 174.900 0.060 0.000 1.024 513 G CA 0.293 45.431 45.100 0.063 0.000 0.755 513 G HN 0.475 nan 8.290 nan 0.000 0.507 514 E N -0.412 119.846 120.200 0.097 0.000 2.501 514 E HA 0.493 4.845 4.350 0.003 0.000 0.201 514 E C 1.729 178.392 176.600 0.106 0.000 1.016 514 E CA 0.226 56.694 56.400 0.113 0.000 0.920 514 E CB 0.429 30.192 29.700 0.106 0.000 1.023 514 E HN 0.735 nan 8.360 nan 0.000 0.474 515 A N 0.446 123.311 122.820 0.074 0.000 2.292 515 A HA 0.259 4.581 4.320 0.003 0.000 0.265 515 A C 0.508 178.233 177.584 0.235 0.000 1.133 515 A CA -0.044 52.026 52.037 0.055 0.000 0.807 515 A CB 0.052 19.058 19.000 0.009 0.000 1.102 515 A HN 0.344 nan 8.150 nan 0.000 0.502 516 F N -3.110 116.979 119.950 0.232 0.000 2.789 516 F HA 0.297 4.826 4.527 0.003 0.000 0.320 516 F C 0.844 176.810 175.800 0.277 0.000 1.079 516 F CA 0.309 58.490 58.000 0.302 0.000 1.205 516 F CB -0.422 38.770 39.000 0.320 0.000 1.046 516 F HN 0.468 nan 8.300 nan 0.000 0.586 517 D N 1.414 121.689 120.400 -0.208 0.000 2.092 517 D HA -0.136 4.505 4.640 0.003 0.000 0.193 517 D C 2.125 178.543 176.300 0.196 0.000 0.994 517 D CA 1.817 55.830 54.000 0.021 0.000 0.828 517 D CB -0.002 40.739 40.800 -0.098 0.000 0.963 517 D HN 0.019 nan 8.370 nan 0.000 0.450 518 R N -0.302 120.279 120.500 0.135 0.000 2.092 518 R HA -0.105 4.237 4.340 0.003 0.000 0.231 518 R C 2.164 178.740 176.300 0.459 0.000 1.119 518 R CA 0.967 57.179 56.100 0.187 0.000 0.970 518 R CB -1.077 29.221 30.300 -0.002 0.000 0.864 518 R HN 0.569 nan 8.270 nan 0.000 0.440 519 H N 0.785 120.072 119.070 0.361 0.000 2.267 519 H HA -0.042 4.515 4.556 0.003 0.000 0.297 519 H C 2.093 177.592 175.328 0.285 0.000 1.080 519 H CA 1.508 57.774 56.048 0.363 0.000 1.278 519 H CB 0.082 30.017 29.762 0.287 0.000 1.365 519 H HN 0.042 nan 8.280 nan 0.000 0.489 520 L N 0.394 121.769 121.223 0.253 0.000 2.079 520 L HA -0.205 4.137 4.340 0.003 0.000 0.210 520 L C 2.795 179.709 176.870 0.073 0.000 1.081 520 L CA 0.718 55.648 54.840 0.150 0.000 0.752 520 L CB -0.447 41.753 42.059 0.235 0.000 0.896 520 L HN 0.351 nan 8.230 nan 0.000 0.433 521 L N 0.521 121.831 121.223 0.144 0.000 2.046 521 L HA -0.063 4.278 4.340 0.003 0.000 0.208 521 L C 2.351 179.177 176.870 -0.073 0.000 1.077 521 L CA 2.162 57.011 54.840 0.016 0.000 0.747 521 L CB -1.122 41.035 42.059 0.162 0.000 0.896 521 L HN 0.101 nan 8.230 nan 0.000 0.432 522 G N -0.280 108.640 108.800 0.200 0.000 2.418 522 G HA2 -0.233 3.729 3.960 0.003 0.000 0.217 522 G HA3 -0.233 3.729 3.960 0.003 0.000 0.217 522 G C 1.608 176.524 174.900 0.027 0.000 1.158 522 G CA 1.075 46.339 45.100 0.274 0.000 0.771 522 G HN 0.452 nan 8.290 nan 0.000 0.545 523 L N 0.033 121.297 121.223 0.069 0.000 2.083 523 L HA -0.053 4.288 4.340 0.003 0.000 0.209 523 L C 2.795 179.658 176.870 -0.012 0.000 1.083 523 L CA 1.555 56.473 54.840 0.131 0.000 0.752 523 L CB -0.286 41.971 42.059 0.330 0.000 0.899 523 L HN 0.240 nan 8.230 nan 0.000 0.433 524 K N 0.655 120.750 120.400 -0.509 0.000 2.031 524 K HA -0.127 4.194 4.320 0.003 0.000 0.205 524 K C 2.144 178.471 176.600 -0.454 0.000 1.049 524 K CA 1.060 56.847 56.287 -0.834 0.000 0.939 524 K CB -0.013 31.616 32.500 -1.452 0.000 0.717 524 K HN 0.203 nan 8.250 nan 0.000 0.438 525 L N 0.810 121.695 121.223 -0.562 0.000 2.141 525 L HA -0.169 4.172 4.340 0.003 0.000 0.209 525 L C 2.685 179.317 176.870 -0.397 0.000 1.094 525 L CA 0.970 55.393 54.840 -0.695 0.000 0.763 525 L CB -0.392 40.744 42.059 -1.539 0.000 0.908 525 L HN 0.302 nan 8.230 nan 0.000 0.437 526 Q N 0.487 120.158 119.800 -0.215 0.000 2.084 526 Q HA -0.157 4.185 4.340 0.003 0.000 0.202 526 Q C 2.240 178.290 176.000 0.082 0.000 0.978 526 Q CA 2.020 57.905 55.803 0.137 0.000 0.844 526 Q CB -0.235 28.628 28.738 0.208 0.000 0.898 526 Q HN 0.418 nan 8.270 nan 0.000 0.426 527 A N 0.264 123.107 122.820 0.039 0.000 1.883 527 A HA -0.172 4.149 4.320 0.003 0.000 0.217 527 A C 2.155 179.758 177.584 0.031 0.000 1.186 527 A CA 1.625 53.700 52.037 0.064 0.000 0.624 527 A CB -0.825 18.241 19.000 0.110 0.000 0.822 527 A HN 0.486 nan 8.150 nan 0.000 0.444 528 I N -0.745 119.813 120.570 -0.020 0.000 2.179 528 I HA -0.269 3.903 4.170 0.003 0.000 0.242 528 I C 2.602 178.738 176.117 0.031 0.000 1.088 528 I CA 1.891 63.182 61.300 -0.015 0.000 1.357 528 I CB -0.325 37.633 38.000 -0.070 0.000 1.051 528 I HN 0.550 nan 8.210 nan 0.000 0.409 529 E N 0.938 121.180 120.200 0.070 0.000 2.106 529 E HA -0.249 4.103 4.350 0.003 0.000 0.192 529 E C 1.225 177.882 176.600 0.095 0.000 0.984 529 E CA 1.307 57.782 56.400 0.124 0.000 0.806 529 E CB 0.093 29.939 29.700 0.243 0.000 0.750 529 E HN 0.384 nan 8.360 nan 0.000 0.458 530 D N 0.238 120.688 120.400 0.085 0.000 2.378 530 D HA -0.025 4.616 4.640 0.003 0.000 0.227 530 D C 0.579 176.906 176.300 0.046 0.000 1.012 530 D CA 0.397 54.435 54.000 0.064 0.000 0.905 530 D CB 0.056 40.892 40.800 0.060 0.000 0.895 530 D HN 0.258 nan 8.370 nan 0.000 0.532 531 L N -0.872 120.378 121.223 0.044 0.000 3.865 531 L HA -0.209 4.133 4.340 0.003 0.000 0.408 531 L C 0.078 176.966 176.870 0.029 0.000 1.209 531 L CA -0.080 54.780 54.840 0.033 0.000 0.940 531 L CB -2.157 39.920 42.059 0.030 0.000 1.971 531 L HN -0.020 nan 8.230 nan 0.000 0.899 532 V N -3.005 116.929 119.914 0.034 0.000 2.850 532 V HA 0.797 4.919 4.120 0.003 0.000 0.315 532 V C 0.951 177.066 176.094 0.035 0.000 1.064 532 V CA -0.194 62.125 62.300 0.033 0.000 0.979 532 V CB 1.807 33.653 31.823 0.039 0.000 1.039 532 V HN 0.341 nan 8.190 nan 0.000 0.452 533 S N 3.444 119.163 115.700 0.031 0.000 2.558 533 S HA 0.242 4.714 4.470 0.003 0.000 0.288 533 S C 0.091 174.718 174.600 0.046 0.000 1.318 533 S CA -0.364 57.854 58.200 0.031 0.000 1.056 533 S CB 0.069 63.283 63.200 0.023 0.000 0.853 533 S HN 1.204 nan 8.310 nan 0.000 0.505 534 M N 3.340 122.967 119.600 0.044 0.000 2.327 534 M HA 0.257 4.738 4.480 0.003 0.000 0.353 534 M C -2.518 173.825 176.300 0.071 0.000 1.539 534 M CA -1.676 53.665 55.300 0.069 0.000 1.039 534 M CB -0.521 32.109 32.600 0.050 0.000 1.967 534 M HN 0.426 nan 8.290 nan 0.000 0.459 535 P HA 0.006 nan 4.420 nan 0.000 0.264 535 P C -0.063 177.148 177.300 -0.148 0.000 1.193 535 P CA 0.011 63.099 63.100 -0.020 0.000 0.763 535 P CB 0.517 32.174 31.700 -0.070 0.000 0.810 536 D N 2.600 122.909 120.400 -0.153 0.000 2.133 536 D HA -0.188 4.454 4.640 0.003 0.000 0.195 536 D C 1.740 177.874 176.300 -0.277 0.000 0.997 536 D CA 1.227 55.137 54.000 -0.151 0.000 0.840 536 D CB -0.283 40.449 40.800 -0.113 0.000 0.947 536 D HN 0.414 nan 8.370 nan 0.000 0.452 537 I N -0.024 120.219 120.570 -0.545 0.000 2.399 537 I HA -0.297 3.874 4.170 0.003 0.000 0.254 537 I C 1.624 177.312 176.117 -0.715 0.000 1.146 537 I CA 1.201 62.053 61.300 -0.747 0.000 1.412 537 I CB -0.063 37.152 38.000 -1.308 0.000 1.076 537 I HN -0.084 nan 8.210 nan 0.000 0.432 538 F N -0.702 118.964 119.950 -0.472 0.000 2.743 538 F HA 0.080 4.609 4.527 0.003 0.000 0.297 538 F C 2.010 177.717 175.800 -0.155 0.000 1.131 538 F CA 0.038 57.735 58.000 -0.504 0.000 1.426 538 F CB 0.043 38.770 39.000 -0.455 0.000 1.116 538 F HN -0.012 nan 8.300 nan 0.000 0.583 539 M N -0.698 118.924 119.600 0.037 0.000 2.371 539 M HA 0.073 4.554 4.480 0.003 0.000 0.246 539 M C -0.123 176.222 176.300 0.075 0.000 1.103 539 M CA -0.069 55.274 55.300 0.071 0.000 1.010 539 M CB -0.018 32.606 32.600 0.040 0.000 1.457 539 M HN -0.161 nan 8.290 nan 0.000 0.486 540 D N 0.722 121.159 120.400 0.062 0.000 2.414 540 D HA 0.019 4.661 4.640 0.003 0.000 0.242 540 D C 0.896 177.282 176.300 0.142 0.000 1.129 540 D CA 0.643 54.701 54.000 0.095 0.000 0.885 540 D CB 1.322 42.146 40.800 0.039 0.000 1.198 540 D HN -0.013 nan 8.370 nan 0.000 0.437 541 T N 1.867 116.491 114.554 0.117 0.000 2.720 541 T HA -0.149 4.202 4.350 0.003 0.000 0.268 541 T C 1.939 176.704 174.700 0.108 0.000 1.037 541 T CA 1.657 63.811 62.100 0.089 0.000 1.144 541 T CB -0.162 68.740 68.868 0.057 0.000 0.864 541 T HN 0.397 nan 8.240 nan 0.000 0.444 542 S N 0.220 115.998 115.700 0.129 0.000 2.374 542 S HA -0.148 4.323 4.470 0.003 0.000 0.227 542 S C 1.668 176.398 174.600 0.216 0.000 1.037 542 S CA 1.253 59.532 58.200 0.132 0.000 1.024 542 S CB -0.522 62.727 63.200 0.082 0.000 0.861 542 S HN 0.640 nan 8.310 nan 0.000 0.456 543 Y N 1.871 122.266 120.300 0.158 0.000 2.200 543 Y HA -0.091 4.460 4.550 0.003 0.000 0.290 543 Y C 2.454 178.420 175.900 0.111 0.000 1.137 543 Y CA 0.944 59.167 58.100 0.206 0.000 1.163 543 Y CB -0.478 38.081 38.460 0.165 0.000 0.988 543 Y HN 0.251 nan 8.280 nan 0.000 0.518 544 A N 0.535 123.415 122.820 0.101 0.000 1.883 544 A HA -0.204 4.118 4.320 0.003 0.000 0.217 544 A C 2.192 179.731 177.584 -0.075 0.000 1.186 544 A CA 2.035 54.063 52.037 -0.015 0.000 0.624 544 A CB -1.086 17.930 19.000 0.028 0.000 0.822 544 A HN 0.582 nan 8.150 nan 0.000 0.444 545 I N -0.309 120.243 120.570 -0.031 0.000 2.142 545 I HA -0.284 3.888 4.170 0.003 0.000 0.240 545 I C 2.993 179.062 176.117 -0.079 0.000 1.078 545 I CA 1.126 62.405 61.300 -0.035 0.000 1.343 545 I CB -0.449 37.556 38.000 0.008 0.000 1.046 545 I HN 0.357 nan 8.210 nan 0.000 0.405 546 A N 0.472 123.256 122.820 -0.060 0.000 1.978 546 A HA -0.197 4.125 4.320 0.003 0.000 0.220 546 A C 2.162 179.496 177.584 -0.416 0.000 1.170 546 A CA 1.599 53.596 52.037 -0.067 0.000 0.636 546 A CB -0.350 18.761 19.000 0.184 0.000 0.810 546 A HN 0.358 nan 8.150 nan 0.000 0.448 547 M N -0.782 118.486 119.600 -0.553 0.000 2.495 547 M HA 0.093 4.574 4.480 0.003 0.000 0.237 547 M C 0.570 176.361 176.300 -0.848 0.000 1.131 547 M CA 0.382 55.193 55.300 -0.814 0.000 1.032 547 M CB -0.731 31.503 32.600 -0.610 0.000 1.513 547 M HN 0.462 nan 8.290 nan 0.000 0.488 548 H N 0.661 119.346 119.070 -0.642 0.000 2.821 548 H HA 0.203 4.761 4.556 0.003 0.000 0.262 548 H C -1.204 173.919 175.328 -0.342 0.000 1.402 548 H CA -0.424 55.398 56.048 -0.376 0.000 1.293 548 H CB -0.105 29.539 29.762 -0.197 0.000 1.533 548 H HN -0.049 nan 8.280 nan 0.000 0.528 549 F N 4.390 124.242 119.950 -0.164 0.000 2.541 549 F HA 0.092 4.621 4.527 0.003 0.000 0.347 549 F C 1.698 177.448 175.800 -0.083 0.000 1.242 549 F CA -0.381 57.576 58.000 -0.070 0.000 1.123 549 F CB -0.001 38.981 39.000 -0.029 0.000 1.354 549 F HN 0.493 nan 8.300 nan 0.000 0.621 550 N N 2.335 121.103 118.700 0.112 0.000 2.364 550 N HA -0.097 4.645 4.740 0.003 0.000 0.183 550 N C 0.186 175.805 175.510 0.182 0.000 1.022 550 N CA 0.940 54.057 53.050 0.112 0.000 0.883 550 N CB 0.354 38.895 38.487 0.091 0.000 0.965 550 N HN 0.389 nan 8.380 nan 0.000 0.438 551 L N 0.566 121.891 121.223 0.168 0.000 2.342 551 L HA 0.243 4.584 4.340 0.003 0.000 0.276 551 L C -0.431 176.576 176.870 0.230 0.000 0.997 551 L CA -0.372 54.588 54.840 0.200 0.000 0.838 551 L CB 2.064 44.171 42.059 0.081 0.000 1.224 551 L HN -0.198 nan 8.230 nan 0.000 0.416 552 S N 2.301 118.154 115.700 0.256 0.000 2.530 552 S HA 0.743 5.215 4.470 0.003 0.000 0.322 552 S C -0.261 174.578 174.600 0.399 0.000 1.085 552 S CA -0.369 57.959 58.200 0.213 0.000 1.096 552 S CB 0.937 64.204 63.200 0.111 0.000 0.988 552 S HN 0.695 nan 8.310 nan 0.000 0.466 553 T N 1.410 116.196 114.554 0.385 0.000 2.864 553 T HA 0.949 5.301 4.350 0.003 0.000 0.289 553 T C -0.591 174.343 174.700 0.389 0.000 1.082 553 T CA -0.618 61.765 62.100 0.472 0.000 1.009 553 T CB 1.510 70.618 68.868 0.400 0.000 1.234 553 T HN 1.359 nan 8.240 nan 0.000 0.526 554 A N 0.663 123.680 122.820 0.328 0.000 2.590 554 A HA 0.624 4.946 4.320 0.003 0.000 0.296 554 A C -1.285 176.140 177.584 -0.264 0.000 1.050 554 A CA -0.816 51.281 52.037 0.100 0.000 0.697 554 A CB 1.417 20.506 19.000 0.150 0.000 1.277 554 A HN 0.988 nan 8.150 nan 0.000 0.411 555 Q N 0.907 120.474 119.800 -0.388 0.000 2.271 555 Q HA 0.598 4.940 4.340 0.003 0.000 0.258 555 Q C -0.784 175.043 176.000 -0.289 0.000 0.936 555 Q CA -0.600 54.787 55.803 -0.692 0.000 0.909 555 Q CB 1.535 29.998 28.738 -0.459 0.000 1.253 555 Q HN 1.386 nan 8.270 nan 0.000 0.440 556 V N 1.971 121.732 119.914 -0.255 0.000 2.225 556 V HA 0.464 4.586 4.120 0.003 0.000 0.264 556 V C -2.610 173.433 176.094 -0.085 0.000 1.067 556 V CA -2.317 59.915 62.300 -0.113 0.000 0.903 556 V CB 0.133 31.914 31.823 -0.070 0.000 1.136 556 V HN 0.658 nan 8.190 nan 0.000 0.456 557 P HA 0.491 nan 4.420 nan 0.000 0.264 557 P C -0.048 177.243 177.300 -0.015 0.000 1.193 557 P CA 0.802 63.884 63.100 -0.029 0.000 0.763 557 P CB 0.950 32.645 31.700 -0.008 0.000 0.810 558 A N 3.092 125.907 122.820 -0.008 0.000 2.594 558 A HA 0.322 4.644 4.320 0.003 0.000 0.296 558 A C 0.574 178.167 177.584 0.016 0.000 1.061 558 A CA -0.642 51.398 52.037 0.006 0.000 0.689 558 A CB 1.163 20.163 19.000 0.001 0.000 1.280 558 A HN 0.370 nan 8.150 nan 0.000 0.406 559 K N 0.152 120.570 120.400 0.029 0.000 2.103 559 K HA 0.026 4.348 4.320 0.003 0.000 0.204 559 K C 0.291 176.917 176.600 0.043 0.000 1.052 559 K CA 1.289 57.598 56.287 0.036 0.000 0.945 559 K CB -0.103 32.423 32.500 0.043 0.000 0.722 559 K HN 0.731 nan 8.250 nan 0.000 0.443 560 T N 2.056 116.637 114.554 0.045 0.000 2.916 560 T HA -0.034 4.318 4.350 0.003 0.000 0.303 560 T C -0.055 174.684 174.700 0.064 0.000 1.025 560 T CA -0.047 62.088 62.100 0.058 0.000 1.142 560 T CB 0.787 69.691 68.868 0.060 0.000 0.947 560 T HN 0.052 nan 8.240 nan 0.000 0.544 561 D N 2.692 123.143 120.400 0.086 0.000 2.600 561 D HA 0.167 4.809 4.640 0.003 0.000 0.226 561 D C 0.306 176.670 176.300 0.106 0.000 1.119 561 D CA -0.506 53.566 54.000 0.120 0.000 1.051 561 D CB -0.881 40.011 40.800 0.154 0.000 1.106 561 D HN 0.616 nan 8.370 nan 0.000 0.491 562 C N -0.149 119.200 119.300 0.081 0.000 2.871 562 C HA 0.916 5.378 4.460 0.003 0.000 0.351 562 C C -0.221 174.808 174.990 0.065 0.000 1.338 562 C CA -0.950 58.114 59.018 0.076 0.000 1.686 562 C CB 1.345 29.118 27.740 0.055 0.000 2.135 562 C HN 0.214 nan 8.230 nan 0.000 0.476 563 V N 0.228 120.181 119.914 0.066 0.000 3.000 563 V HA 0.797 4.918 4.120 0.003 0.000 0.300 563 V C 0.068 176.151 176.094 -0.019 0.000 1.251 563 V CA 0.808 63.145 62.300 0.062 0.000 0.972 563 V CB 1.931 33.840 31.823 0.142 0.000 1.065 563 V HN 1.624 nan 8.190 nan 0.000 0.431 564 G N 3.729 112.481 108.800 -0.081 0.000 2.521 564 G HA2 0.870 4.832 3.960 0.003 0.000 0.323 564 G HA3 0.870 4.832 3.960 0.003 0.000 0.323 564 G C -1.287 173.468 174.900 -0.242 0.000 1.211 564 G CA -0.458 44.454 45.100 -0.313 0.000 0.979 564 G HN 1.274 nan 8.290 nan 0.000 0.490 565 F N -1.948 118.004 119.950 0.003 0.000 2.719 565 F HA 0.772 5.301 4.527 0.003 0.000 0.309 565 F C -1.284 174.473 175.800 -0.071 0.000 1.138 565 F CA -2.269 55.622 58.000 -0.182 0.000 0.943 565 F CB 1.277 40.187 39.000 -0.151 0.000 1.304 565 F HN 0.660 nan 8.300 nan 0.000 0.445 566 F N -1.090 119.007 119.950 0.246 0.000 2.693 566 F HA 0.881 5.409 4.527 0.003 0.000 0.309 566 F C -0.131 175.745 175.800 0.126 0.000 1.129 566 F CA -1.754 56.337 58.000 0.151 0.000 0.948 566 F CB 0.844 39.906 39.000 0.104 0.000 1.315 566 F HN 0.863 nan 8.300 nan 0.000 0.447 567 G N 0.537 109.531 108.800 0.323 0.000 2.572 567 G HA2 0.559 4.521 3.960 0.003 0.000 0.261 567 G HA3 0.559 4.521 3.960 0.003 0.000 0.261 567 G C -2.947 172.137 174.900 0.307 0.000 1.197 567 G CA -1.670 43.545 45.100 0.191 0.000 0.870 567 G HN 0.506 nan 8.290 nan 0.000 0.548 568 P HA 0.087 nan 4.420 nan 0.000 0.271 568 P C 1.150 178.653 177.300 0.339 0.000 1.233 568 P CA -0.205 63.009 63.100 0.191 0.000 0.789 568 P CB 0.856 32.553 31.700 -0.005 0.000 0.951 569 V N -0.883 119.157 119.914 0.209 0.000 3.506 569 V HA 0.126 4.248 4.120 0.003 0.000 0.263 569 V C 0.533 176.657 176.094 0.050 0.000 1.203 569 V CA 0.544 62.906 62.300 0.103 0.000 1.133 569 V CB -0.613 31.191 31.823 -0.032 0.000 0.802 569 V HN 0.331 nan 8.190 nan 0.000 0.459 570 V N -5.597 114.360 119.914 0.073 0.000 3.007 570 V HA 0.637 4.759 4.120 0.003 0.000 0.311 570 V C -2.028 174.157 176.094 0.152 0.000 1.120 570 V CA -1.929 60.360 62.300 -0.019 0.000 0.980 570 V CB 1.275 32.873 31.823 -0.376 0.000 1.033 570 V HN -0.033 nan 8.190 nan 0.000 0.429 571 P HA -0.135 nan 4.420 nan 0.000 0.216 571 P C 0.439 177.851 177.300 0.186 0.000 1.150 571 P CA 1.990 65.139 63.100 0.082 0.000 0.843 571 P CB 0.016 31.711 31.700 -0.008 0.000 0.787 572 D N -1.502 118.978 120.400 0.134 0.000 2.738 572 D HA 0.223 4.864 4.640 0.003 0.000 0.246 572 D C 0.653 176.961 176.300 0.013 0.000 1.270 572 D CA -0.355 53.688 54.000 0.072 0.000 0.833 572 D CB -0.285 40.568 40.800 0.088 0.000 1.040 572 D HN 0.026 nan 8.370 nan 0.000 0.487 573 G N -0.780 108.019 108.800 -0.003 0.000 3.042 573 G HA2 0.570 4.531 3.960 0.003 0.000 0.278 573 G HA3 0.570 4.531 3.960 0.003 0.000 0.278 573 G C -1.636 173.161 174.900 -0.170 0.000 1.371 573 G CA -0.809 44.280 45.100 -0.018 0.000 1.009 573 G HN 0.080 nan 8.290 nan 0.000 0.523 574 Y N -1.359 119.004 120.300 0.105 0.000 2.524 574 Y HA 0.598 5.149 4.550 0.003 0.000 0.344 574 Y C 0.657 176.617 175.900 0.101 0.000 1.012 574 Y CA -0.608 57.534 58.100 0.070 0.000 1.068 574 Y CB 2.730 41.252 38.460 0.104 0.000 1.249 574 Y HN 0.677 nan 8.280 nan 0.000 0.468 575 G N 2.935 111.860 108.800 0.208 0.000 2.603 575 G HA2 0.616 4.577 3.960 0.003 0.000 0.324 575 G HA3 0.616 4.577 3.960 0.003 0.000 0.324 575 G C -1.130 173.716 174.900 -0.089 0.000 1.178 575 G CA -0.403 44.784 45.100 0.146 0.000 1.023 575 G HN 0.515 nan 8.290 nan 0.000 0.482 576 I N 1.740 122.361 120.570 0.085 0.000 2.378 576 I HA 0.373 4.545 4.170 0.003 0.000 0.291 576 I C -0.332 175.901 176.117 0.194 0.000 0.992 576 I CA -0.731 60.635 61.300 0.110 0.000 1.154 576 I CB 1.982 40.114 38.000 0.220 0.000 1.315 576 I HN 0.344 nan 8.210 nan 0.000 0.448 577 C N 7.580 126.950 119.300 0.117 0.000 2.563 577 C HA 0.825 5.286 4.460 0.003 0.000 0.314 577 C C -1.041 174.121 174.990 0.287 0.000 1.199 577 C CA -0.394 58.727 59.018 0.172 0.000 1.564 577 C CB 1.079 28.832 27.740 0.021 0.000 2.173 577 C HN 0.743 nan 8.230 nan 0.000 0.485 578 Y N 2.649 122.994 120.300 0.074 0.000 2.597 578 Y HA 0.653 5.204 4.550 0.003 0.000 0.340 578 Y C -0.870 174.954 175.900 -0.128 0.000 1.097 578 Y CA -1.281 56.744 58.100 -0.125 0.000 1.037 578 Y CB 0.947 39.168 38.460 -0.398 0.000 1.305 578 Y HN 0.542 nan 8.280 nan 0.000 0.463 579 N N 2.311 120.968 118.700 -0.072 0.000 2.573 579 N HA 0.480 5.221 4.740 0.003 0.000 0.262 579 N C -3.400 172.056 175.510 -0.090 0.000 1.029 579 N CA -2.500 50.504 53.050 -0.077 0.000 0.882 579 N CB 1.837 40.295 38.487 -0.049 0.000 1.204 579 N HN 0.379 nan 8.380 nan 0.000 0.519 580 P HA 0.208 nan 4.420 nan 0.000 0.275 580 P C -0.114 177.129 177.300 -0.094 0.000 1.276 580 P CA -0.089 62.982 63.100 -0.048 0.000 0.782 580 P CB 0.487 32.222 31.700 0.058 0.000 0.851 581 M N 1.899 121.372 119.600 -0.211 0.000 2.531 581 M HA 0.247 4.728 4.480 0.003 0.000 0.262 581 M C 1.695 177.922 176.300 -0.122 0.000 1.168 581 M CA -0.677 54.474 55.300 -0.248 0.000 0.926 581 M CB 0.339 32.552 32.600 -0.645 0.000 1.445 581 M HN 0.199 nan 8.290 nan 0.000 0.531 582 E N 1.185 121.352 120.200 -0.055 0.000 2.047 582 E HA -0.016 4.336 4.350 0.003 0.000 0.191 582 E C 1.355 178.009 176.600 0.090 0.000 0.987 582 E CA 2.169 58.586 56.400 0.029 0.000 0.799 582 E CB 0.048 29.776 29.700 0.046 0.000 0.752 582 E HN 0.700 nan 8.360 nan 0.000 0.449 583 A N -0.258 122.637 122.820 0.127 0.000 2.390 583 A HA 0.182 4.504 4.320 0.003 0.000 0.232 583 A C 0.219 177.978 177.584 0.292 0.000 1.233 583 A CA 0.304 52.473 52.037 0.219 0.000 0.907 583 A CB -0.273 18.857 19.000 0.216 0.000 0.967 583 A HN 0.517 nan 8.150 nan 0.000 0.512 584 H N -2.349 116.800 119.070 0.133 0.000 2.960 584 H HA 0.681 5.238 4.556 0.003 0.000 0.323 584 H C -1.961 173.434 175.328 0.112 0.000 1.326 584 H CA -1.376 54.751 56.048 0.132 0.000 1.124 584 H CB 0.715 30.537 29.762 0.101 0.000 1.853 584 H HN -0.001 nan 8.280 nan 0.000 0.536 585 I N 1.535 122.194 120.570 0.149 0.000 2.512 585 I HA 0.210 4.381 4.170 0.003 0.000 0.287 585 I C -0.711 175.380 176.117 -0.043 0.000 1.069 585 I CA -0.531 60.710 61.300 -0.099 0.000 1.056 585 I CB 1.933 39.764 38.000 -0.282 0.000 1.229 585 I HN 0.447 nan 8.210 nan 0.000 0.429 586 N N 5.822 124.467 118.700 -0.092 0.000 2.422 586 N HA 0.494 5.236 4.740 0.003 0.000 0.264 586 N C -1.323 174.127 175.510 -0.101 0.000 1.063 586 N CA -0.252 52.820 53.050 0.036 0.000 0.959 586 N CB 0.940 39.482 38.487 0.092 0.000 1.087 586 N HN 0.267 nan 8.380 nan 0.000 0.483 587 F N 0.603 120.665 119.950 0.186 0.000 2.522 587 F HA 0.485 5.014 4.527 0.003 0.000 0.324 587 F C 0.354 176.232 175.800 0.131 0.000 1.077 587 F CA -0.829 57.270 58.000 0.165 0.000 0.944 587 F CB 1.883 40.951 39.000 0.113 0.000 1.175 587 F HN 0.287 nan 8.300 nan 0.000 0.468 588 S N 1.386 117.295 115.700 0.348 0.000 2.614 588 S HA 0.845 5.317 4.470 0.003 0.000 0.288 588 S C -1.650 173.011 174.600 0.102 0.000 1.137 588 S CA -0.670 57.641 58.200 0.184 0.000 0.992 588 S CB 1.335 64.664 63.200 0.216 0.000 1.026 588 S HN 0.371 nan 8.310 nan 0.000 0.486 589 V N 3.302 123.240 119.914 0.039 0.000 2.483 589 V HA 0.776 4.898 4.120 0.003 0.000 0.297 589 V C 0.050 176.145 176.094 0.002 0.000 1.027 589 V CA -0.491 61.822 62.300 0.023 0.000 0.855 589 V CB 1.512 33.341 31.823 0.010 0.000 0.995 589 V HN 1.119 nan 8.190 nan 0.000 0.424 590 S N 3.427 119.127 115.700 -0.000 0.000 2.607 590 S HA 1.012 5.484 4.470 0.003 0.000 0.303 590 S C -0.422 174.137 174.600 -0.068 0.000 1.086 590 S CA -0.152 58.008 58.200 -0.068 0.000 0.995 590 S CB 2.506 65.622 63.200 -0.139 0.000 1.084 590 S HN 1.628 nan 8.310 nan 0.000 0.507 591 A N 0.658 123.343 122.820 -0.225 0.000 2.564 591 A HA 0.706 5.027 4.320 0.003 0.000 0.291 591 A C -2.298 175.030 177.584 -0.426 0.000 1.102 591 A CA -0.850 50.970 52.037 -0.361 0.000 0.660 591 A CB 0.546 19.405 19.000 -0.236 0.000 1.283 591 A HN 0.760 nan 8.150 nan 0.000 0.430 592 Y N 1.169 121.439 120.300 -0.050 0.000 2.352 592 Y HA 0.348 4.899 4.550 0.003 0.000 0.339 592 Y C 1.279 177.167 175.900 -0.020 0.000 0.992 592 Y CA -1.135 56.958 58.100 -0.011 0.000 1.100 592 Y CB 1.527 39.991 38.460 0.008 0.000 1.192 592 Y HN 0.694 nan 8.280 nan 0.000 0.458 593 N N 0.471 119.264 118.700 0.156 0.000 2.512 593 N HA -0.126 4.615 4.740 0.003 0.000 0.183 593 N C 1.649 177.205 175.510 0.076 0.000 1.073 593 N CA 1.130 54.231 53.050 0.085 0.000 0.911 593 N CB -0.002 38.523 38.487 0.064 0.000 0.964 593 N HN 0.678 nan 8.380 nan 0.000 0.447 594 S N -0.843 114.915 115.700 0.096 0.000 2.447 594 S HA -0.044 4.428 4.470 0.003 0.000 0.233 594 S C 1.212 175.839 174.600 0.044 0.000 1.006 594 S CA -0.075 58.154 58.200 0.048 0.000 0.957 594 S CB -0.350 62.856 63.200 0.010 0.000 0.773 594 S HN 0.326 nan 8.310 nan 0.000 0.507 595 C N 2.467 121.806 119.300 0.065 0.000 2.225 595 C HA 0.828 5.290 4.460 0.003 0.000 0.323 595 C C 1.688 176.702 174.990 0.040 0.000 1.164 595 C CA -0.622 58.424 59.018 0.047 0.000 1.565 595 C CB -0.700 27.068 27.740 0.047 0.000 2.124 595 C HN 0.593 nan 8.230 nan 0.000 0.461 596 A N 3.549 126.392 122.820 0.039 0.000 2.131 596 A HA -0.100 4.222 4.320 0.003 0.000 0.220 596 A C 1.766 179.383 177.584 0.055 0.000 1.158 596 A CA 1.603 53.664 52.037 0.040 0.000 0.665 596 A CB -0.209 18.811 19.000 0.033 0.000 0.795 596 A HN 0.875 nan 8.150 nan 0.000 0.460 597 E N -0.042 120.200 120.200 0.070 0.000 2.482 597 E HA 0.024 4.376 4.350 0.003 0.000 0.196 597 E C 0.743 177.457 176.600 0.190 0.000 1.047 597 E CA 0.949 57.428 56.400 0.132 0.000 0.869 597 E CB -0.104 29.683 29.700 0.144 0.000 0.836 597 E HN 0.726 nan 8.360 nan 0.000 0.520 598 T N -1.435 113.170 114.554 0.086 0.000 2.887 598 T HA 0.523 4.875 4.350 0.003 0.000 0.288 598 T C -0.493 174.255 174.700 0.080 0.000 1.021 598 T CA -1.057 61.072 62.100 0.048 0.000 1.000 598 T CB 1.733 70.379 68.868 -0.370 0.000 1.034 598 T HN -0.063 nan 8.240 nan 0.000 0.467 599 N N 0.741 119.577 118.700 0.227 0.000 2.572 599 N HA 0.334 5.076 4.740 0.003 0.000 0.287 599 N C 0.922 176.583 175.510 0.251 0.000 1.136 599 N CA -0.171 52.980 53.050 0.168 0.000 0.900 599 N CB 2.034 40.582 38.487 0.102 0.000 1.484 599 N HN 0.789 nan 8.380 nan 0.000 0.526 600 A N 3.620 126.551 122.820 0.185 0.000 1.873 600 A HA -0.141 4.180 4.320 0.003 0.000 0.218 600 A C 2.110 179.687 177.584 -0.011 0.000 1.193 600 A CA 2.428 54.549 52.037 0.140 0.000 0.629 600 A CB -0.845 18.188 19.000 0.054 0.000 0.826 600 A HN 0.782 nan 8.150 nan 0.000 0.447 601 A N -0.629 122.149 122.820 -0.071 0.000 1.883 601 A HA -0.212 4.110 4.320 0.003 0.000 0.217 601 A C 2.279 179.604 177.584 -0.433 0.000 1.186 601 A CA 1.976 53.849 52.037 -0.272 0.000 0.624 601 A CB -0.554 18.347 19.000 -0.164 0.000 0.822 601 A HN 0.581 nan 8.150 nan 0.000 0.444 602 R N -1.428 119.002 120.500 -0.115 0.000 2.083 602 R HA -0.183 4.158 4.340 0.003 0.000 0.237 602 R C 2.186 178.518 176.300 0.053 0.000 1.137 602 R CA 2.058 58.188 56.100 0.050 0.000 0.951 602 R CB -0.332 30.012 30.300 0.073 0.000 0.851 602 R HN 0.487 nan 8.270 nan 0.000 0.434 603 M N 0.374 119.928 119.600 -0.076 0.000 2.117 603 M HA -0.080 4.401 4.480 0.003 0.000 0.262 603 M C 2.021 178.244 176.300 -0.128 0.000 1.065 603 M CA 2.071 57.250 55.300 -0.202 0.000 1.114 603 M CB -0.253 32.022 32.600 -0.541 0.000 1.361 603 M HN 0.242 nan 8.290 nan 0.000 0.408 604 A N -1.036 121.691 122.820 -0.155 0.000 1.902 604 A HA -0.211 4.110 4.320 0.003 0.000 0.217 604 A C 1.953 179.526 177.584 -0.018 0.000 1.181 604 A CA 2.101 54.050 52.037 -0.146 0.000 0.623 604 A CB -1.389 17.518 19.000 -0.156 0.000 0.818 604 A HN 0.786 nan 8.150 nan 0.000 0.443 605 H N -2.999 116.103 119.070 0.053 0.000 2.326 605 H HA -0.144 4.414 4.556 0.003 0.000 0.301 605 H C 1.937 177.274 175.328 0.014 0.000 1.081 605 H CA 1.659 57.732 56.048 0.041 0.000 1.334 605 H CB -0.168 29.619 29.762 0.042 0.000 1.385 605 H HN 0.595 nan 8.280 nan 0.000 0.504 606 Y N 0.158 120.485 120.300 0.045 0.000 2.293 606 Y HA -0.171 4.381 4.550 0.003 0.000 0.291 606 Y C 2.366 178.236 175.900 -0.051 0.000 1.137 606 Y CA 0.628 58.718 58.100 -0.016 0.000 1.202 606 Y CB -0.198 38.227 38.460 -0.060 0.000 0.990 606 Y HN 0.174 nan 8.280 nan 0.000 0.537 607 L N 0.546 121.792 121.223 0.038 0.000 2.027 607 L HA -0.169 4.172 4.340 0.003 0.000 0.206 607 L C 2.292 179.082 176.870 -0.133 0.000 1.074 607 L CA 2.020 56.782 54.840 -0.131 0.000 0.745 607 L CB -0.969 40.889 42.059 -0.335 0.000 0.898 607 L HN 0.316 nan 8.230 nan 0.000 0.433 608 E N -0.509 119.672 120.200 -0.032 0.000 2.058 608 E HA -0.332 4.019 4.350 0.003 0.000 0.194 608 E C 2.156 178.859 176.600 0.170 0.000 0.997 608 E CA 1.554 58.071 56.400 0.194 0.000 0.801 608 E CB -0.088 29.792 29.700 0.301 0.000 0.746 608 E HN 0.321 nan 8.360 nan 0.000 0.450 609 K N 0.595 121.026 120.400 0.051 0.000 2.097 609 K HA -0.039 4.282 4.320 0.003 0.000 0.205 609 K C 1.753 178.369 176.600 0.027 0.000 1.050 609 K CA 1.356 57.640 56.287 -0.005 0.000 0.938 609 K CB -0.499 31.938 32.500 -0.104 0.000 0.718 609 K HN 0.228 nan 8.250 nan 0.000 0.442 610 A N 0.652 123.491 122.820 0.031 0.000 1.877 610 A HA -0.118 4.204 4.320 0.003 0.000 0.216 610 A C 2.217 179.845 177.584 0.074 0.000 1.186 610 A CA 1.645 53.709 52.037 0.046 0.000 0.620 610 A CB -0.759 18.261 19.000 0.033 0.000 0.822 610 A HN 0.303 nan 8.150 nan 0.000 0.443 611 L N -0.658 120.605 121.223 0.065 0.000 2.012 611 L HA -0.218 4.124 4.340 0.003 0.000 0.210 611 L C 2.637 179.775 176.870 0.448 0.000 1.073 611 L CA 1.316 56.287 54.840 0.218 0.000 0.748 611 L CB -0.573 41.410 42.059 -0.125 0.000 0.891 611 L HN 0.386 nan 8.230 nan 0.000 0.431 612 L N -0.683 120.743 121.223 0.338 0.000 2.017 612 L HA -0.240 4.102 4.340 0.003 0.000 0.208 612 L C 2.300 179.260 176.870 0.150 0.000 1.073 612 L CA 1.171 56.158 54.840 0.245 0.000 0.745 612 L CB -0.693 41.373 42.059 0.011 0.000 0.894 612 L HN 0.284 nan 8.230 nan 0.000 0.432 613 D N -0.255 120.212 120.400 0.112 0.000 2.149 613 D HA -0.196 4.446 4.640 0.003 0.000 0.198 613 D C 2.301 178.687 176.300 0.145 0.000 0.990 613 D CA 1.388 55.443 54.000 0.092 0.000 0.839 613 D CB -0.087 40.752 40.800 0.066 0.000 0.948 613 D HN 0.318 nan 8.370 nan 0.000 0.460 614 M N -0.090 119.625 119.600 0.193 0.000 2.132 614 M HA -0.119 4.362 4.480 0.003 0.000 0.263 614 M C 2.299 178.796 176.300 0.327 0.000 1.065 614 M CA 1.048 56.483 55.300 0.225 0.000 1.122 614 M CB -0.006 32.610 32.600 0.027 0.000 1.365 614 M HN -0.110 nan 8.290 nan 0.000 0.411 615 R N -0.212 120.472 120.500 0.307 0.000 2.073 615 R HA -0.133 4.209 4.340 0.003 0.000 0.234 615 R C 1.889 178.170 176.300 -0.031 0.000 1.134 615 R CA 2.076 58.138 56.100 -0.063 0.000 0.952 615 R CB -0.368 29.542 30.300 -0.650 0.000 0.850 615 R HN 0.248 nan 8.270 nan 0.000 0.433 616 T N 1.959 116.518 114.554 0.008 0.000 2.684 616 T HA -0.180 4.172 4.350 0.003 0.000 0.267 616 T C 1.696 176.444 174.700 0.080 0.000 1.036 616 T CA 1.428 63.537 62.100 0.015 0.000 1.148 616 T CB -0.316 68.564 68.868 0.019 0.000 0.863 616 T HN 0.192 nan 8.240 nan 0.000 0.436 617 L N 1.002 122.311 121.223 0.143 0.000 1.989 617 L HA -0.035 4.306 4.340 0.003 0.000 0.211 617 L C 2.200 179.220 176.870 0.249 0.000 1.071 617 L CA 1.701 56.665 54.840 0.206 0.000 0.749 617 L CB -0.750 41.444 42.059 0.225 0.000 0.890 617 L HN 0.257 nan 8.230 nan 0.000 0.431 618 L N -1.116 120.264 121.223 0.263 0.000 2.083 618 L HA -0.224 4.118 4.340 0.003 0.000 0.209 618 L C 2.644 179.652 176.870 0.230 0.000 1.083 618 L CA 1.366 56.372 54.840 0.277 0.000 0.752 618 L CB -0.578 41.709 42.059 0.380 0.000 0.899 618 L HN 0.416 nan 8.230 nan 0.000 0.433 619 Q N -0.158 119.760 119.800 0.197 0.000 2.167 619 Q HA -0.152 4.189 4.340 0.003 0.000 0.202 619 Q C 1.791 177.797 176.000 0.011 0.000 0.970 619 Q CA 1.250 57.119 55.803 0.110 0.000 0.855 619 Q CB -0.129 28.636 28.738 0.045 0.000 0.911 619 Q HN 0.603 nan 8.270 nan 0.000 0.438 620 N N -0.313 118.357 118.700 -0.051 0.000 2.453 620 N HA -0.087 4.655 4.740 0.003 0.000 0.183 620 N C -0.181 174.994 175.510 -0.559 0.000 1.041 620 N CA 0.367 53.246 53.050 -0.286 0.000 0.900 620 N CB 0.237 38.520 38.487 -0.339 0.000 0.961 620 N HN 0.224 nan 8.380 nan 0.000 0.443 621 H N -0.110 118.995 119.070 0.059 0.000 2.429 621 H HA 0.289 4.847 4.556 0.003 0.000 0.231 621 H C -2.502 172.854 175.328 0.047 0.000 1.416 621 H CA -1.487 54.590 56.048 0.049 0.000 1.443 621 H CB 0.758 30.549 29.762 0.050 0.000 1.591 621 H HN 0.071 nan 8.280 nan 0.000 0.507 622 P HA 0.156 nan 4.420 nan 0.000 0.269 622 P C 1.040 178.380 177.300 0.068 0.000 1.215 622 P CA -0.162 62.981 63.100 0.072 0.000 0.780 622 P CB 1.741 33.467 31.700 0.044 0.000 0.898 623 R N 1.828 122.355 120.500 0.046 0.000 2.075 623 R HA 0.158 4.499 4.340 0.003 0.000 0.220 623 R C 0.705 177.020 176.300 0.025 0.000 1.118 623 R CA 0.452 56.573 56.100 0.034 0.000 0.986 623 R CB -0.492 29.820 30.300 0.020 0.000 0.884 623 R HN 0.485 nan 8.270 nan 0.000 0.439 624 A N 3.040 125.870 122.820 0.017 0.000 2.517 624 A HA 0.065 4.387 4.320 0.003 0.000 0.284 624 A C -0.410 177.184 177.584 0.017 0.000 1.195 624 A CA 0.227 52.271 52.037 0.013 0.000 0.873 624 A CB -0.511 18.493 19.000 0.008 0.000 1.055 624 A HN 0.282 nan 8.150 nan 0.000 0.538 625 K N 0.000 120.410 120.400 0.017 0.000 2.780 625 K HA 0.000 4.322 4.320 0.003 0.000 0.191 625 K CA 0.000 56.298 56.287 0.018 0.000 0.838 625 K CB 0.000 32.509 32.500 0.014 0.000 1.064 625 K HN 0.000 nan 8.250 nan 0.000 0.543