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 1ekm_1_A DATA FIRST_RESID 17 DATA SEQUENCE APARPAHPLD PLSTAEIKAA TNTVKSYFAG KKISFNTVTL REPARKAYIQ DATA SEQUENCE WKEQGGPLPP RLAYYVILEA GKPGVKEGLV DLASLSVIET RALETVQPIL DATA SEQUENCE TVEDLCSTEE VIRNDPAVIE QCVLSGIPAN EMHKVYCDPW TIGYDERWGT DATA SEQUENCE GKRLQQALVY YRSDEDDSQY SHPLDFCPIV DTEEKKVIFI DIPNRRRKVS DATA SEQUENCE KHKHANFYPK HMIEKVGAMR PEAPPINVTQ PEGVSFKMTG NVMEWSNFKF DATA SEQUENCE HIGFNYREGI VLSDVSYNDH GNVRPIFHRI SLSEMIVPYG SPEFPHQRKH DATA SEQUENCE ALDIGEYGAG YMTNPLSLGC DcKGVIHYLD AHFSDRAGDP ITVKNAVcIH DATA SEQUENCE EEDDGLLFKH SDFRDNFATS LVTRATKLVV SQIFTAANYE YCLYWVFMQD DATA SEQUENCE GAIRLDIRLT GILNTYILGD DEEAGPWGTR VYPNVNAHNH QHLFSLRIDP DATA SEQUENCE RIDGDGNSAA ACDAKSSPYP LGSPENMYGN AFYSEKTTFK TVKDSLTNYE DATA SEQUENCE SATGRSWDIF NPNKVNPYSG KPPSYKLVST QCPPLLAKEG SLVAKRAPWA DATA SEQUENCE SHSVNVVPYK DNRLYPSGDH VPQWSGDGVR GMREWIGDGS ENIDNTDILF DATA SEQUENCE FHTFGITHFP APEDFPLMPA EPITLMLRPR HFFTENPGLD IQPSYAMTTS DATA SEQUENCE EAKRAV 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 17 A HA 0.000 nan 4.320 nan 0.000 0.244 17 A C 0.000 177.584 177.584 0.000 0.000 1.274 17 A CA 0.000 52.038 52.037 0.002 0.000 0.836 17 A CB 0.000 19.003 19.000 0.004 0.000 0.831 18 P HA 0.576 nan 4.420 nan 0.000 0.274 18 P C 0.259 177.560 177.300 0.002 0.000 1.237 18 P CA 0.113 63.211 63.100 -0.003 0.000 0.793 18 P CB 0.980 32.676 31.700 -0.005 0.000 0.977 19 A N 2.593 125.415 122.820 0.003 0.000 2.445 19 A HA 0.205 4.524 4.320 -0.000 0.000 0.242 19 A C 0.524 178.115 177.584 0.011 0.000 1.075 19 A CA -0.268 51.774 52.037 0.008 0.000 0.777 19 A CB -0.154 18.852 19.000 0.010 0.000 1.013 19 A HN 0.536 nan 8.150 nan 0.000 0.493 20 R N 1.518 122.026 120.500 0.013 0.000 2.641 20 R HA 0.376 4.716 4.340 -0.000 0.000 0.269 20 R C -1.904 174.411 176.300 0.025 0.000 1.074 20 R CA -0.758 55.349 56.100 0.011 0.000 1.133 20 R CB -0.079 30.223 30.300 0.003 0.000 1.029 20 R HN 0.671 nan 8.270 nan 0.000 0.488 21 P HA 0.102 nan 4.420 nan 0.000 0.277 21 P C -0.436 176.911 177.300 0.078 0.000 1.271 21 P CA -0.309 62.827 63.100 0.060 0.000 0.795 21 P CB 0.941 32.685 31.700 0.074 0.000 1.101 22 A N -0.167 122.724 122.820 0.118 0.000 1.929 22 A HA -0.091 4.229 4.320 -0.000 0.000 0.216 22 A C 1.086 178.795 177.584 0.209 0.000 1.176 22 A CA 1.368 53.495 52.037 0.149 0.000 0.628 22 A CB -1.107 17.988 19.000 0.158 0.000 0.816 22 A HN 0.800 nan 8.150 nan 0.000 0.444 23 H N -2.258 116.872 119.070 0.101 0.000 2.679 23 H HA 0.426 4.982 4.556 -0.000 0.000 0.360 23 H C -2.385 172.912 175.328 -0.051 0.000 1.105 23 H CA -1.961 54.142 56.048 0.092 0.000 1.196 23 H CB 2.061 31.956 29.762 0.222 0.000 1.636 23 H HN -0.104 nan 8.280 nan 0.000 0.531 24 P HA -0.167 nan 4.420 nan 0.000 0.220 24 P C 0.719 178.021 177.300 0.003 0.000 1.144 24 P CA 1.257 64.227 63.100 -0.216 0.000 0.800 24 P CB 0.260 31.619 31.700 -0.567 0.000 0.772 25 L N -1.994 119.344 121.223 0.191 0.000 2.607 25 L HA 0.123 4.463 4.340 -0.000 0.000 0.228 25 L C 0.311 177.096 176.870 -0.141 0.000 1.123 25 L CA -0.181 54.541 54.840 -0.196 0.000 0.890 25 L CB -0.435 41.211 42.059 -0.687 0.000 1.103 25 L HN -0.091 nan 8.230 nan 0.000 0.468 26 D N 1.357 121.820 120.400 0.104 0.000 2.423 26 D HA 0.136 4.776 4.640 -0.000 0.000 0.238 26 D C -2.043 174.353 176.300 0.160 0.000 1.142 26 D CA -1.035 53.102 54.000 0.227 0.000 0.884 26 D CB 0.579 41.505 40.800 0.209 0.000 1.199 26 D HN -0.068 nan 8.370 nan 0.000 0.438 27 P HA 0.094 nan 4.420 nan 0.000 0.272 27 P C -0.081 177.312 177.300 0.155 0.000 1.240 27 P CA -0.396 62.812 63.100 0.181 0.000 0.791 27 P CB 0.578 32.409 31.700 0.218 0.000 0.978 28 L N 0.800 122.114 121.223 0.152 0.000 2.499 28 L HA 0.062 4.402 4.340 -0.000 0.000 0.273 28 L C 1.211 178.143 176.870 0.102 0.000 1.195 28 L CA 0.093 55.002 54.840 0.114 0.000 0.882 28 L CB -0.129 41.998 42.059 0.114 0.000 1.133 28 L HN 0.509 nan 8.230 nan 0.000 0.483 29 S N 0.265 115.990 115.700 0.043 0.000 2.624 29 S HA 0.109 4.579 4.470 -0.000 0.000 0.263 29 S C 1.312 175.848 174.600 -0.107 0.000 1.287 29 S CA -0.173 58.003 58.200 -0.039 0.000 0.990 29 S CB 1.277 64.452 63.200 -0.042 0.000 0.950 29 S HN 0.773 nan 8.310 nan 0.000 0.561 30 T N -1.453 112.940 114.554 -0.269 0.000 2.788 30 T HA -0.082 4.268 4.350 -0.000 0.000 0.268 30 T C 1.952 176.585 174.700 -0.112 0.000 1.044 30 T CA 1.104 63.076 62.100 -0.215 0.000 1.139 30 T CB -1.073 67.620 68.868 -0.291 0.000 0.867 30 T HN 0.880 nan 8.240 nan 0.000 0.454 31 A N 1.971 124.733 122.820 -0.097 0.000 1.902 31 A HA -0.074 4.246 4.320 -0.000 0.000 0.217 31 A C 2.319 179.878 177.584 -0.043 0.000 1.181 31 A CA 1.559 53.560 52.037 -0.060 0.000 0.623 31 A CB -0.667 18.305 19.000 -0.046 0.000 0.818 31 A HN 0.667 nan 8.150 nan 0.000 0.443 32 E N -0.321 119.860 120.200 -0.031 0.000 2.106 32 E HA -0.134 4.216 4.350 -0.000 0.000 0.192 32 E C 1.848 178.438 176.600 -0.016 0.000 0.984 32 E CA 1.109 57.502 56.400 -0.010 0.000 0.806 32 E CB -0.286 29.421 29.700 0.012 0.000 0.750 32 E HN 0.712 nan 8.360 nan 0.000 0.458 33 I N 1.036 121.592 120.570 -0.022 0.000 2.179 33 I HA -0.254 3.916 4.170 -0.000 0.000 0.242 33 I C 2.526 178.587 176.117 -0.092 0.000 1.088 33 I CA 0.857 62.136 61.300 -0.035 0.000 1.357 33 I CB -0.195 37.799 38.000 -0.010 0.000 1.051 33 I HN -0.040 nan 8.210 nan 0.000 0.409 34 K N 1.254 121.602 120.400 -0.087 0.000 2.063 34 K HA -0.138 4.182 4.320 -0.000 0.000 0.208 34 K C 2.157 178.701 176.600 -0.093 0.000 1.048 34 K CA 1.790 58.016 56.287 -0.102 0.000 0.928 34 K CB -0.521 31.937 32.500 -0.071 0.000 0.713 34 K HN 0.331 nan 8.250 nan 0.000 0.442 35 A N 0.787 123.570 122.820 -0.061 0.000 1.877 35 A HA -0.127 4.193 4.320 -0.000 0.000 0.216 35 A C 2.381 179.936 177.584 -0.047 0.000 1.186 35 A CA 2.351 54.363 52.037 -0.042 0.000 0.620 35 A CB -0.731 18.256 19.000 -0.023 0.000 0.822 35 A HN 0.349 nan 8.150 nan 0.000 0.443 36 A N -0.272 122.516 122.820 -0.054 0.000 1.877 36 A HA -0.120 4.200 4.320 -0.000 0.000 0.216 36 A C 2.490 180.006 177.584 -0.114 0.000 1.186 36 A CA 2.747 54.754 52.037 -0.050 0.000 0.620 36 A CB -1.507 17.484 19.000 -0.014 0.000 0.822 36 A HN 0.801 nan 8.150 nan 0.000 0.443 37 T N -1.796 112.611 114.554 -0.245 0.000 2.821 37 T HA -0.158 4.192 4.350 -0.000 0.000 0.267 37 T C 1.674 176.289 174.700 -0.142 0.000 1.046 37 T CA 1.455 63.277 62.100 -0.463 0.000 1.139 37 T CB -0.595 67.720 68.868 -0.923 0.000 0.871 37 T HN 0.382 nan 8.240 nan 0.000 0.454 38 N N 1.402 120.045 118.700 -0.094 0.000 2.084 38 N HA -0.067 4.672 4.740 -0.000 0.000 0.190 38 N C 2.120 177.644 175.510 0.024 0.000 1.030 38 N CA 1.849 54.890 53.050 -0.015 0.000 0.849 38 N CB -1.100 37.375 38.487 -0.020 0.000 1.012 38 N HN 0.502 nan 8.380 nan 0.000 0.423 39 T N 1.093 115.648 114.554 0.002 0.000 2.684 39 T HA -0.074 4.276 4.350 -0.000 0.000 0.267 39 T C 2.157 176.879 174.700 0.036 0.000 1.036 39 T CA 1.072 63.180 62.100 0.013 0.000 1.148 39 T CB -0.377 68.485 68.868 -0.010 0.000 0.863 39 T HN -0.013 nan 8.240 nan 0.000 0.436 40 V N 1.467 121.397 119.914 0.026 0.000 2.307 40 V HA -0.155 3.965 4.120 -0.000 0.000 0.245 40 V C 2.478 178.740 176.094 0.280 0.000 1.045 40 V CA 1.497 63.840 62.300 0.071 0.000 1.024 40 V CB -0.485 31.314 31.823 -0.041 0.000 0.651 40 V HN 0.474 nan 8.190 nan 0.000 0.449 41 K N -0.021 120.556 120.400 0.295 0.000 2.074 41 K HA -0.184 4.135 4.320 -0.000 0.000 0.209 41 K C 2.454 179.160 176.600 0.177 0.000 1.048 41 K CA 1.818 58.261 56.287 0.260 0.000 0.926 41 K CB -0.358 32.271 32.500 0.214 0.000 0.713 41 K HN 0.357 nan 8.250 nan 0.000 0.444 42 S N 0.342 116.115 115.700 0.121 0.000 2.355 42 S HA -0.158 4.312 4.470 -0.000 0.000 0.222 42 S C 1.734 176.350 174.600 0.028 0.000 1.031 42 S CA 0.969 59.208 58.200 0.065 0.000 0.993 42 S CB -0.354 62.874 63.200 0.048 0.000 0.859 42 S HN 0.330 nan 8.310 nan 0.000 0.453 43 Y N 1.059 121.286 120.300 -0.121 0.000 2.165 43 Y HA -0.111 4.439 4.550 -0.000 0.000 0.286 43 Y C 0.717 176.365 175.900 -0.420 0.000 1.155 43 Y CA 1.368 59.285 58.100 -0.305 0.000 1.164 43 Y CB -0.187 37.999 38.460 -0.456 0.000 0.978 43 Y HN 0.205 nan 8.280 nan 0.000 0.513 44 F N 0.903 120.894 119.950 0.068 0.000 2.974 44 F HA 0.434 4.961 4.527 -0.000 0.000 0.292 44 F C 0.875 176.656 175.800 -0.031 0.000 1.209 44 F CA -0.435 57.560 58.000 -0.007 0.000 1.366 44 F CB -0.910 38.113 39.000 0.038 0.000 1.033 44 F HN 0.010 nan 8.300 nan 0.000 0.516 45 A N 0.296 123.134 122.820 0.030 0.000 2.567 45 A HA 0.369 4.689 4.320 -0.000 0.000 0.240 45 A C 1.497 179.100 177.584 0.032 0.000 1.053 45 A CA 0.793 52.846 52.037 0.027 0.000 0.755 45 A CB -0.612 18.375 19.000 -0.021 0.000 0.978 45 A HN 1.179 nan 8.150 nan 0.000 0.507 46 G N 1.706 110.529 108.800 0.039 0.000 2.160 46 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.244 46 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.244 46 G C -0.087 174.834 174.900 0.035 0.000 1.022 46 G CA 0.533 45.650 45.100 0.028 0.000 0.741 46 G HN 0.809 nan 8.290 nan 0.000 0.508 47 K N -0.321 120.110 120.400 0.052 0.000 2.427 47 K HA 0.412 4.732 4.320 -0.000 0.000 0.252 47 K C -0.330 176.271 176.600 0.002 0.000 0.931 47 K CA -1.050 55.257 56.287 0.033 0.000 0.793 47 K CB 2.259 34.799 32.500 0.066 0.000 1.211 47 K HN 0.208 nan 8.250 nan 0.000 0.426 48 K N 4.400 124.785 120.400 -0.025 0.000 2.219 48 K HA 0.241 4.561 4.320 -0.000 0.000 0.280 48 K C 0.002 176.547 176.600 -0.091 0.000 1.104 48 K CA -0.282 55.982 56.287 -0.038 0.000 0.925 48 K CB -0.206 32.277 32.500 -0.029 0.000 1.261 48 K HN 0.623 nan 8.250 nan 0.000 0.445 49 I N 0.203 120.698 120.570 -0.126 0.000 2.797 49 I HA 0.611 4.781 4.170 -0.000 0.000 0.307 49 I C -0.802 175.164 176.117 -0.252 0.000 1.033 49 I CA -0.857 60.293 61.300 -0.250 0.000 1.071 49 I CB 2.312 40.070 38.000 -0.402 0.000 1.255 49 I HN 0.491 nan 8.210 nan 0.000 0.445 50 S N 2.297 117.800 115.700 -0.328 0.000 2.549 50 S HA 0.663 5.133 4.470 -0.000 0.000 0.280 50 S C -1.060 173.312 174.600 -0.379 0.000 1.109 50 S CA -0.667 57.395 58.200 -0.230 0.000 0.905 50 S CB 1.330 64.477 63.200 -0.087 0.000 1.081 50 S HN 0.491 nan 8.310 nan 0.000 0.477 51 F N 2.866 122.803 119.950 -0.021 0.000 2.411 51 F HA 0.459 4.985 4.527 -0.000 0.000 0.350 51 F C 1.770 177.568 175.800 -0.004 0.000 1.114 51 F CA -0.608 57.387 58.000 -0.008 0.000 1.135 51 F CB 1.098 40.101 39.000 0.004 0.000 1.120 51 F HN 0.832 nan 8.300 nan 0.000 0.495 52 N N 1.123 119.892 118.700 0.115 0.000 2.482 52 N HA 0.016 4.755 4.740 -0.000 0.000 0.179 52 N C -0.387 175.195 175.510 0.121 0.000 1.039 52 N CA 0.698 53.799 53.050 0.085 0.000 0.884 52 N CB 0.630 39.142 38.487 0.041 0.000 1.113 52 N HN 0.552 nan 8.380 nan 0.000 0.440 53 T N 0.614 115.219 114.554 0.084 0.000 3.105 53 T HA 0.442 4.792 4.350 -0.000 0.000 0.321 53 T C -1.383 173.306 174.700 -0.019 0.000 1.135 53 T CA -0.487 61.572 62.100 -0.067 0.000 1.053 53 T CB 2.528 71.232 68.868 -0.273 0.000 1.133 53 T HN -0.141 nan 8.240 nan 0.000 0.463 54 V N 2.754 122.663 119.914 -0.009 0.000 2.462 54 V HA 0.755 4.875 4.120 -0.000 0.000 0.288 54 V C -0.148 175.987 176.094 0.067 0.000 1.020 54 V CA -0.465 61.875 62.300 0.067 0.000 0.857 54 V CB 1.612 33.478 31.823 0.070 0.000 1.013 54 V HN 0.984 nan 8.190 nan 0.000 0.431 55 T N 3.820 118.438 114.554 0.108 0.000 2.841 55 T HA 0.630 4.979 4.350 -0.000 0.000 0.296 55 T C -1.196 173.632 174.700 0.214 0.000 1.166 55 T CA -0.530 61.674 62.100 0.173 0.000 1.007 55 T CB 1.634 70.608 68.868 0.178 0.000 1.253 55 T HN 0.569 nan 8.240 nan 0.000 0.511 56 L N 2.954 124.294 121.223 0.196 0.000 2.490 56 L HA 0.574 4.914 4.340 -0.000 0.000 0.274 56 L C 0.159 177.117 176.870 0.146 0.000 1.201 56 L CA 0.130 55.062 54.840 0.154 0.000 0.869 56 L CB 0.393 42.527 42.059 0.124 0.000 1.123 56 L HN 0.593 nan 8.230 nan 0.000 0.484 57 R N 4.443 125.015 120.500 0.121 0.000 2.233 57 R HA 0.319 4.659 4.340 -0.000 0.000 0.334 57 R C -0.626 175.697 176.300 0.039 0.000 1.037 57 R CA -0.204 55.944 56.100 0.079 0.000 0.920 57 R CB -0.098 30.262 30.300 0.100 0.000 1.137 57 R HN 0.760 nan 8.270 nan 0.000 0.492 58 E N 4.934 125.141 120.200 0.013 0.000 2.437 58 E HA 0.064 4.414 4.350 -0.000 0.000 0.263 58 E C -1.929 174.678 176.600 0.011 0.000 1.030 58 E CA -1.305 55.092 56.400 -0.006 0.000 0.934 58 E CB 0.180 29.856 29.700 -0.040 0.000 0.943 58 E HN 0.496 nan 8.360 nan 0.000 0.444 59 P HA -0.029 nan 4.420 nan 0.000 0.268 59 P C -0.924 176.428 177.300 0.086 0.000 1.208 59 P CA 0.012 63.144 63.100 0.052 0.000 0.777 59 P CB 0.492 32.238 31.700 0.076 0.000 0.875 60 A N 2.401 125.270 122.820 0.082 0.000 2.483 60 A HA 0.006 4.326 4.320 -0.000 0.000 0.238 60 A C 1.815 179.469 177.584 0.117 0.000 1.070 60 A CA -0.015 52.083 52.037 0.101 0.000 0.770 60 A CB -0.262 18.785 19.000 0.078 0.000 1.008 60 A HN 0.673 nan 8.150 nan 0.000 0.497 61 R N 1.043 121.599 120.500 0.093 0.000 2.112 61 R HA -0.195 4.145 4.340 -0.000 0.000 0.242 61 R C 1.871 178.122 176.300 -0.083 0.000 1.137 61 R CA 2.337 58.370 56.100 -0.112 0.000 0.944 61 R CB -0.247 29.755 30.300 -0.496 0.000 0.857 61 R HN 0.848 nan 8.270 nan 0.000 0.435 62 K N -0.414 119.960 120.400 -0.045 0.000 2.032 62 K HA -0.171 4.149 4.320 -0.000 0.000 0.209 62 K C 2.110 178.728 176.600 0.030 0.000 1.048 62 K CA 1.556 57.830 56.287 -0.021 0.000 0.927 62 K CB -0.235 32.265 32.500 0.001 0.000 0.712 62 K HN 0.280 nan 8.250 nan 0.000 0.441 63 A N 0.750 123.608 122.820 0.064 0.000 1.883 63 A HA -0.234 4.085 4.320 -0.000 0.000 0.217 63 A C 2.086 179.745 177.584 0.126 0.000 1.186 63 A CA 1.613 53.699 52.037 0.081 0.000 0.624 63 A CB -0.937 18.106 19.000 0.071 0.000 0.822 63 A HN 0.449 nan 8.150 nan 0.000 0.444 64 Y N 0.527 120.872 120.300 0.076 0.000 2.097 64 Y HA -0.226 4.324 4.550 -0.000 0.000 0.282 64 Y C 2.098 178.135 175.900 0.228 0.000 1.152 64 Y CA 1.962 60.159 58.100 0.162 0.000 1.136 64 Y CB -0.325 38.240 38.460 0.174 0.000 0.975 64 Y HN 0.280 nan 8.280 nan 0.000 0.498 65 I N 0.065 120.701 120.570 0.111 0.000 2.163 65 I HA -0.383 3.787 4.170 -0.000 0.000 0.243 65 I C 2.445 178.528 176.117 -0.056 0.000 1.085 65 I CA 1.775 63.080 61.300 0.008 0.000 1.347 65 I CB -0.598 37.397 38.000 -0.009 0.000 1.044 65 I HN 0.360 nan 8.210 nan 0.000 0.408 66 Q N -0.373 119.418 119.800 -0.015 0.000 2.096 66 Q HA -0.283 4.057 4.340 -0.000 0.000 0.204 66 Q C 2.035 178.017 176.000 -0.030 0.000 0.982 66 Q CA 2.293 58.084 55.803 -0.020 0.000 0.850 66 Q CB -0.353 28.391 28.738 0.012 0.000 0.901 66 Q HN 0.636 nan 8.270 nan 0.000 0.422 67 W N 1.752 122.940 121.300 -0.188 0.000 2.355 67 W HA -0.180 4.480 4.660 -0.000 0.000 0.309 67 W C 2.054 178.418 176.519 -0.260 0.000 1.206 67 W CA 1.315 58.533 57.345 -0.212 0.000 1.284 67 W CB -0.075 29.235 29.460 -0.250 0.000 1.145 67 W HN -0.129 nan 8.180 nan 0.000 0.502 68 K N 0.416 120.526 120.400 -0.483 0.000 2.057 68 K HA -0.176 4.144 4.320 -0.000 0.000 0.206 68 K C 0.987 177.299 176.600 -0.480 0.000 1.050 68 K CA 2.000 57.847 56.287 -0.733 0.000 0.935 68 K CB -0.195 32.024 32.500 -0.469 0.000 0.715 68 K HN 0.517 nan 8.250 nan 0.000 0.439 69 E N -1.312 118.716 120.200 -0.286 0.000 2.714 69 E HA 0.071 4.421 4.350 -0.000 0.000 0.219 69 E C 0.117 176.626 176.600 -0.151 0.000 0.979 69 E CA -0.135 56.147 56.400 -0.196 0.000 1.092 69 E CB 0.707 30.338 29.700 -0.116 0.000 1.049 69 E HN 0.181 nan 8.360 nan 0.000 0.487 70 Q N 0.343 120.049 119.800 -0.156 0.000 2.055 70 Q HA 0.226 4.566 4.340 -0.000 0.000 0.226 70 Q C 0.540 176.478 176.000 -0.105 0.000 0.805 70 Q CA 0.059 55.799 55.803 -0.105 0.000 1.072 70 Q CB 1.612 30.309 28.738 -0.069 0.000 1.219 70 Q HN 0.369 nan 8.270 nan 0.000 0.451 71 G N 0.959 109.663 108.800 -0.159 0.000 2.233 71 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.270 71 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.270 71 G C 0.473 175.331 174.900 -0.070 0.000 1.011 71 G CA 0.084 45.103 45.100 -0.136 0.000 0.762 71 G HN 0.497 nan 8.290 nan 0.000 0.511 72 G N 0.112 108.882 108.800 -0.050 0.000 2.667 72 G HA2 0.577 4.537 3.960 -0.000 0.000 0.250 72 G HA3 0.577 4.537 3.960 -0.000 0.000 0.250 72 G C -1.064 173.910 174.900 0.124 0.000 1.212 72 G CA -0.223 44.897 45.100 0.034 0.000 0.874 72 G HN 0.362 nan 8.290 nan 0.000 0.561 73 P HA 0.106 nan 4.420 nan 0.000 0.269 73 P C -0.367 177.037 177.300 0.173 0.000 1.215 73 P CA -0.566 62.610 63.100 0.126 0.000 0.780 73 P CB 1.063 32.801 31.700 0.064 0.000 0.898 74 L N 4.672 125.965 121.223 0.116 0.000 2.410 74 L HA 0.289 4.629 4.340 -0.000 0.000 0.273 74 L C -2.150 174.639 176.870 -0.135 0.000 1.152 74 L CA -1.593 53.189 54.840 -0.097 0.000 0.855 74 L CB -0.542 41.470 42.059 -0.078 0.000 1.129 74 L HN 0.283 nan 8.230 nan 0.000 0.463 75 P HA 0.224 nan 4.420 nan 0.000 0.271 75 P C -2.549 174.689 177.300 -0.103 0.000 1.216 75 P CA -0.909 62.120 63.100 -0.119 0.000 0.776 75 P CB -0.130 31.502 31.700 -0.113 0.000 0.881 76 P HA 0.116 nan 4.420 nan 0.000 0.271 76 P C -0.378 176.907 177.300 -0.025 0.000 1.216 76 P CA -0.170 62.911 63.100 -0.030 0.000 0.776 76 P CB 0.716 32.412 31.700 -0.006 0.000 0.881 77 R N 2.783 123.271 120.500 -0.020 0.000 2.351 77 R HA 0.346 4.686 4.340 -0.000 0.000 0.318 77 R C 0.057 176.371 176.300 0.023 0.000 1.055 77 R CA -0.152 55.947 56.100 -0.003 0.000 0.968 77 R CB -0.428 29.872 30.300 0.000 0.000 0.974 77 R HN 0.559 nan 8.270 nan 0.000 0.439 78 L N 1.594 122.841 121.223 0.039 0.000 2.354 78 L HA 0.685 5.025 4.340 -0.000 0.000 0.269 78 L C -0.015 176.915 176.870 0.100 0.000 1.005 78 L CA -1.136 53.744 54.840 0.067 0.000 0.819 78 L CB 2.099 44.197 42.059 0.066 0.000 1.311 78 L HN 0.500 nan 8.230 nan 0.000 0.423 79 A N 1.750 124.650 122.820 0.133 0.000 2.331 79 A HA 0.576 4.896 4.320 -0.000 0.000 0.320 79 A C -1.621 176.115 177.584 0.255 0.000 1.138 79 A CA -0.380 51.761 52.037 0.174 0.000 0.790 79 A CB 1.034 20.120 19.000 0.144 0.000 1.206 79 A HN 0.594 nan 8.150 nan 0.000 0.470 80 Y N 3.397 123.767 120.300 0.117 0.000 2.320 80 Y HA 0.586 5.136 4.550 -0.000 0.000 0.334 80 Y C -0.832 175.153 175.900 0.141 0.000 1.055 80 Y CA -0.924 57.223 58.100 0.078 0.000 1.143 80 Y CB 0.773 39.260 38.460 0.044 0.000 1.193 80 Y HN 0.716 nan 8.280 nan 0.000 0.477 81 Y N 3.519 123.507 120.300 -0.521 0.000 2.536 81 Y HA 0.835 5.385 4.550 -0.000 0.000 0.347 81 Y C -2.053 173.488 175.900 -0.599 0.000 1.000 81 Y CA -1.790 56.067 58.100 -0.404 0.000 1.051 81 Y CB 1.196 39.639 38.460 -0.029 0.000 1.259 81 Y HN 0.355 nan 8.280 nan 0.000 0.468 82 V N 5.096 124.901 119.914 -0.180 0.000 2.577 82 V HA 0.581 4.701 4.120 -0.000 0.000 0.303 82 V C -0.276 175.812 176.094 -0.011 0.000 1.042 82 V CA -0.724 61.483 62.300 -0.155 0.000 0.872 82 V CB 1.442 33.212 31.823 -0.087 0.000 0.998 82 V HN 0.901 nan 8.190 nan 0.000 0.423 83 I N 2.394 122.919 120.570 -0.074 0.000 3.145 83 I HA 0.721 4.891 4.170 -0.000 0.000 0.313 83 I C -1.712 174.270 176.117 -0.226 0.000 1.122 83 I CA -1.023 60.138 61.300 -0.231 0.000 0.987 83 I CB 2.446 40.177 38.000 -0.447 0.000 1.236 83 I HN 0.255 nan 8.210 nan 0.000 0.453 84 L N 1.869 122.942 121.223 -0.249 0.000 2.333 84 L HA 0.589 4.929 4.340 -0.000 0.000 0.269 84 L C -0.526 176.205 176.870 -0.232 0.000 1.010 84 L CA -0.293 54.431 54.840 -0.194 0.000 0.818 84 L CB 1.759 43.739 42.059 -0.131 0.000 1.306 84 L HN 0.813 nan 8.230 nan 0.000 0.430 85 E N 0.909 120.997 120.200 -0.187 0.000 2.224 85 E HA 0.566 4.916 4.350 -0.000 0.000 0.265 85 E C -0.762 175.773 176.600 -0.108 0.000 0.878 85 E CA -0.728 55.567 56.400 -0.175 0.000 0.759 85 E CB 2.188 31.773 29.700 -0.191 0.000 1.164 85 E HN 0.735 nan 8.360 nan 0.000 0.414 86 A N 2.741 125.509 122.820 -0.087 0.000 2.567 86 A HA 0.383 4.703 4.320 -0.000 0.000 0.240 86 A C 1.259 178.817 177.584 -0.044 0.000 1.053 86 A CA 1.111 53.114 52.037 -0.056 0.000 0.755 86 A CB -0.486 18.489 19.000 -0.043 0.000 0.978 86 A HN 1.127 nan 8.150 nan 0.000 0.507 87 G N 1.745 110.524 108.800 -0.035 0.000 2.225 87 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.254 87 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.254 87 G C 0.280 175.165 174.900 -0.025 0.000 0.988 87 G CA 0.673 45.759 45.100 -0.024 0.000 0.625 87 G HN 0.767 nan 8.290 nan 0.000 0.527 88 K N 1.517 121.893 120.400 -0.039 0.000 2.138 88 K HA 0.542 4.862 4.320 -0.000 0.000 0.263 88 K C -2.197 174.381 176.600 -0.038 0.000 0.965 88 K CA -1.840 54.424 56.287 -0.037 0.000 0.868 88 K CB 2.126 34.594 32.500 -0.053 0.000 1.083 88 K HN 0.253 nan 8.250 nan 0.000 0.443 89 P HA 0.194 nan 4.420 nan 0.000 0.277 89 P C 0.525 177.804 177.300 -0.035 0.000 1.240 89 P CA 0.130 63.218 63.100 -0.020 0.000 0.798 89 P CB 0.844 32.543 31.700 -0.002 0.000 0.979 90 G N 0.690 109.469 108.800 -0.036 0.000 2.550 90 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.277 90 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.277 90 G C -0.168 174.674 174.900 -0.097 0.000 1.190 90 G CA 0.591 45.655 45.100 -0.060 0.000 0.971 90 G HN 0.906 nan 8.290 nan 0.000 0.559 91 V N -3.995 115.838 119.914 -0.135 0.000 3.103 91 V HA 0.973 5.093 4.120 -0.000 0.000 0.311 91 V C -0.491 175.517 176.094 -0.142 0.000 1.322 91 V CA -0.499 61.703 62.300 -0.163 0.000 1.063 91 V CB 1.920 33.602 31.823 -0.235 0.000 1.090 91 V HN 1.078 nan 8.190 nan 0.000 0.462 92 K N 0.777 121.092 120.400 -0.142 0.000 2.468 92 K HA 0.637 4.957 4.320 -0.000 0.000 0.252 92 K C -1.288 175.248 176.600 -0.107 0.000 0.932 92 K CA -0.515 55.722 56.287 -0.084 0.000 0.794 92 K CB 2.465 34.914 32.500 -0.084 0.000 1.241 92 K HN 1.015 nan 8.250 nan 0.000 0.428 93 E N 0.865 120.976 120.200 -0.148 0.000 2.392 93 E HA 0.830 5.180 4.350 -0.000 0.000 0.269 93 E C -0.385 175.869 176.600 -0.575 0.000 0.924 93 E CA -1.265 54.884 56.400 -0.420 0.000 0.784 93 E CB 2.338 31.960 29.700 -0.129 0.000 1.292 93 E HN 0.620 nan 8.360 nan 0.000 0.447 94 G N 0.202 108.339 108.800 -1.105 0.000 2.341 94 G HA2 0.418 4.378 3.960 -0.000 0.000 0.299 94 G HA3 0.418 4.378 3.960 -0.000 0.000 0.299 94 G C -1.816 172.826 174.900 -0.429 0.000 1.274 94 G CA -1.010 43.706 45.100 -0.640 0.000 0.853 94 G HN 0.401 nan 8.290 nan 0.000 0.493 95 L N -0.064 121.172 121.223 0.022 0.000 2.381 95 L HA 0.711 5.051 4.340 -0.000 0.000 0.268 95 L C -0.628 176.374 176.870 0.221 0.000 0.997 95 L CA -1.169 53.770 54.840 0.166 0.000 0.818 95 L CB 2.341 44.469 42.059 0.115 0.000 1.310 95 L HN 0.337 nan 8.230 nan 0.000 0.416 96 V N 0.970 121.016 119.914 0.219 0.000 2.417 96 V HA 0.178 4.298 4.120 -0.000 0.000 0.291 96 V C -0.607 175.537 176.094 0.083 0.000 1.024 96 V CA -0.516 61.860 62.300 0.127 0.000 0.861 96 V CB 1.942 33.829 31.823 0.106 0.000 0.985 96 V HN 0.727 nan 8.190 nan 0.000 0.436 97 D N 3.835 124.266 120.400 0.051 0.000 2.365 97 D HA 0.279 4.918 4.640 -0.000 0.000 0.237 97 D C 1.046 177.364 176.300 0.029 0.000 1.190 97 D CA -0.200 53.823 54.000 0.038 0.000 0.867 97 D CB 0.933 41.750 40.800 0.027 0.000 1.050 97 D HN 0.451 nan 8.370 nan 0.000 0.491 98 L N 3.575 124.816 121.223 0.029 0.000 2.083 98 L HA -0.124 4.216 4.340 -0.000 0.000 0.209 98 L C 2.440 179.318 176.870 0.013 0.000 1.083 98 L CA 1.124 55.977 54.840 0.021 0.000 0.752 98 L CB -0.427 41.645 42.059 0.021 0.000 0.899 98 L HN 0.569 nan 8.230 nan 0.000 0.433 99 A N 0.060 122.887 122.820 0.012 0.000 1.908 99 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 99 A C 2.352 179.942 177.584 0.010 0.000 1.181 99 A CA 2.146 54.188 52.037 0.008 0.000 0.627 99 A CB -0.530 18.474 19.000 0.006 0.000 0.818 99 A HN 0.515 nan 8.150 nan 0.000 0.445 100 S N -1.391 114.316 115.700 0.012 0.000 2.557 100 S HA 0.427 4.897 4.470 -0.000 0.000 0.223 100 S C 0.464 175.072 174.600 0.014 0.000 0.969 100 S CA 0.110 58.317 58.200 0.013 0.000 0.927 100 S CB -0.532 62.677 63.200 0.014 0.000 0.806 100 S HN 0.601 nan 8.310 nan 0.000 0.489 101 L N 2.082 123.312 121.223 0.013 0.000 3.795 101 L HA -0.192 4.148 4.340 -0.000 0.000 0.489 101 L C 0.007 176.886 176.870 0.014 0.000 1.259 101 L CA 0.513 55.359 54.840 0.011 0.000 0.765 101 L CB -2.357 39.707 42.059 0.009 0.000 1.519 101 L HN 0.719 nan 8.230 nan 0.000 0.842 102 S N -2.334 113.374 115.700 0.013 0.000 2.556 102 S HA 0.725 5.195 4.470 -0.000 0.000 0.271 102 S C -0.404 174.187 174.600 -0.015 0.000 1.135 102 S CA -1.077 57.129 58.200 0.009 0.000 0.858 102 S CB 2.431 65.644 63.200 0.021 0.000 1.114 102 S HN -0.022 nan 8.310 nan 0.000 0.468 103 V N 2.961 122.827 119.914 -0.080 0.000 2.470 103 V HA 0.222 4.342 4.120 -0.000 0.000 0.276 103 V C 1.161 177.189 176.094 -0.111 0.000 1.040 103 V CA -0.091 62.108 62.300 -0.168 0.000 1.008 103 V CB 0.133 31.585 31.823 -0.619 0.000 0.990 103 V HN 0.897 nan 8.190 nan 0.000 0.477 104 I N 1.135 121.687 120.570 -0.031 0.000 4.057 104 I HA 0.536 4.705 4.170 -0.000 0.000 0.334 104 I C 0.543 176.658 176.117 -0.005 0.000 1.308 104 I CA 0.274 61.569 61.300 -0.009 0.000 1.125 104 I CB 0.452 38.462 38.000 0.017 0.000 1.034 104 I HN 0.640 nan 8.210 nan 0.000 0.401 105 E N 0.669 120.863 120.200 -0.010 0.000 2.354 105 E HA 0.460 4.809 4.350 -0.000 0.000 0.283 105 E C -1.374 175.223 176.600 -0.004 0.000 0.938 105 E CA -0.463 55.939 56.400 0.003 0.000 0.777 105 E CB 2.323 32.036 29.700 0.022 0.000 1.222 105 E HN 0.101 nan 8.360 nan 0.000 0.423 106 T N 2.770 117.332 114.554 0.012 0.000 2.957 106 T HA 0.626 4.976 4.350 -0.000 0.000 0.336 106 T C -1.999 172.748 174.700 0.079 0.000 1.462 106 T CA -0.661 61.468 62.100 0.049 0.000 1.073 106 T CB 0.956 69.881 68.868 0.094 0.000 1.319 106 T HN 0.662 nan 8.240 nan 0.000 0.485 107 R N 1.694 122.241 120.500 0.080 0.000 2.690 107 R HA 0.829 5.169 4.340 -0.000 0.000 0.269 107 R C -1.723 174.615 176.300 0.063 0.000 1.037 107 R CA -1.210 54.936 56.100 0.077 0.000 0.877 107 R CB 1.098 31.429 30.300 0.052 0.000 1.255 107 R HN 0.708 nan 8.270 nan 0.000 0.467 108 A N 2.197 125.051 122.820 0.057 0.000 2.304 108 A HA 0.644 4.964 4.320 -0.000 0.000 0.323 108 A C -1.126 176.459 177.584 0.001 0.000 1.195 108 A CA -0.753 51.298 52.037 0.023 0.000 0.826 108 A CB 0.960 19.981 19.000 0.036 0.000 1.184 108 A HN 0.398 nan 8.150 nan 0.000 0.496 109 L N 2.910 124.112 121.223 -0.035 0.000 2.356 109 L HA 0.347 4.687 4.340 -0.000 0.000 0.264 109 L C 0.946 177.786 176.870 -0.049 0.000 1.029 109 L CA 0.268 55.084 54.840 -0.041 0.000 0.897 109 L CB 0.512 42.524 42.059 -0.077 0.000 1.256 109 L HN 0.902 nan 8.230 nan 0.000 0.444 110 E N 0.350 120.538 120.200 -0.019 0.000 2.427 110 E HA -0.052 4.298 4.350 -0.000 0.000 0.196 110 E C 0.538 177.139 176.600 0.001 0.000 1.028 110 E CA 0.978 57.370 56.400 -0.013 0.000 0.864 110 E CB 0.336 30.037 29.700 0.001 0.000 0.813 110 E HN 0.645 nan 8.360 nan 0.000 0.514 111 T N -1.492 113.068 114.554 0.011 0.000 3.269 111 T HA 0.395 4.744 4.350 -0.000 0.000 0.269 111 T C -0.117 174.614 174.700 0.050 0.000 0.993 111 T CA -0.425 61.699 62.100 0.039 0.000 0.909 111 T CB 0.342 69.242 68.868 0.053 0.000 1.115 111 T HN -0.139 nan 8.240 nan 0.000 0.543 112 V N 0.616 120.538 119.914 0.013 0.000 3.040 112 V HA 0.633 4.753 4.120 -0.000 0.000 0.312 112 V C -1.741 174.348 176.094 -0.008 0.000 1.115 112 V CA -0.782 61.528 62.300 0.016 0.000 0.998 112 V CB 2.471 34.273 31.823 -0.036 0.000 1.042 112 V HN 0.355 nan 8.190 nan 0.000 0.433 113 Q N 4.332 124.156 119.800 0.041 0.000 2.356 113 Q HA 0.541 4.881 4.340 -0.000 0.000 0.270 113 Q C -2.692 173.348 176.000 0.066 0.000 1.058 113 Q CA -1.880 53.943 55.803 0.032 0.000 0.802 113 Q CB 2.536 31.314 28.738 0.067 0.000 1.303 113 Q HN 0.527 nan 8.270 nan 0.000 0.444 114 P HA 0.280 nan 4.420 nan 0.000 0.279 114 P C 0.018 177.391 177.300 0.122 0.000 1.276 114 P CA -0.687 62.505 63.100 0.153 0.000 0.801 114 P CB 1.296 33.055 31.700 0.097 0.000 1.127 115 I N 0.361 121.023 120.570 0.153 0.000 2.815 115 I HA -0.054 4.116 4.170 -0.000 0.000 0.291 115 I C 0.002 176.190 176.117 0.118 0.000 1.209 115 I CA -0.123 61.242 61.300 0.108 0.000 1.431 115 I CB 0.059 38.166 38.000 0.178 0.000 1.351 115 I HN 0.135 nan 8.210 nan 0.000 0.585 116 L N 7.712 128.989 121.223 0.091 0.000 2.283 116 L HA 0.224 4.564 4.340 -0.000 0.000 0.287 116 L C 0.686 177.629 176.870 0.121 0.000 1.073 116 L CA -0.439 54.471 54.840 0.117 0.000 0.822 116 L CB 0.702 42.859 42.059 0.165 0.000 1.186 116 L HN 0.670 nan 8.230 nan 0.000 0.436 117 T N -0.810 113.744 114.554 0.000 0.000 2.816 117 T HA 0.166 4.516 4.350 -0.000 0.000 0.282 117 T C 1.502 176.128 174.700 -0.123 0.000 0.993 117 T CA -0.326 61.647 62.100 -0.212 0.000 0.994 117 T CB 1.470 70.145 68.868 -0.321 0.000 1.025 117 T HN 0.371 nan 8.240 nan 0.000 0.529 118 V N -0.624 119.179 119.914 -0.185 0.000 2.490 118 V HA -0.111 4.008 4.120 -0.000 0.000 0.250 118 V C 2.248 178.322 176.094 -0.033 0.000 1.061 118 V CA 1.809 64.069 62.300 -0.066 0.000 1.064 118 V CB -1.288 30.509 31.823 -0.042 0.000 0.670 118 V HN 0.933 nan 8.190 nan 0.000 0.461 119 E N 0.471 120.639 120.200 -0.053 0.000 2.072 119 E HA -0.185 4.164 4.350 -0.000 0.000 0.191 119 E C 2.038 178.637 176.600 -0.003 0.000 0.985 119 E CA 1.482 57.871 56.400 -0.018 0.000 0.801 119 E CB -0.274 29.415 29.700 -0.017 0.000 0.750 119 E HN 0.636 nan 8.360 nan 0.000 0.452 120 D N 0.549 120.946 120.400 -0.006 0.000 2.149 120 D HA -0.156 4.484 4.640 -0.000 0.000 0.198 120 D C 1.954 178.277 176.300 0.038 0.000 0.990 120 D CA 1.014 55.024 54.000 0.017 0.000 0.839 120 D CB -0.026 40.789 40.800 0.025 0.000 0.948 120 D HN 0.194 nan 8.370 nan 0.000 0.460 121 L N -0.385 120.864 121.223 0.044 0.000 2.145 121 L HA 0.065 4.405 4.340 -0.000 0.000 0.201 121 L C 1.275 178.177 176.870 0.052 0.000 1.075 121 L CA 0.174 55.052 54.840 0.064 0.000 0.773 121 L CB -0.024 42.077 42.059 0.070 0.000 0.936 121 L HN -0.108 nan 8.230 nan 0.000 0.451 122 C N 1.440 120.762 119.300 0.037 0.000 2.894 122 C HA 0.159 4.619 4.460 -0.000 0.000 0.430 122 C C 1.434 176.442 174.990 0.030 0.000 1.048 122 C CA 0.768 59.808 59.018 0.037 0.000 1.158 122 C CB -2.011 25.748 27.740 0.032 0.000 1.634 122 C HN 0.719 nan 8.230 nan 0.000 0.565 123 S N -1.319 114.401 115.700 0.033 0.000 2.140 123 S HA -0.096 4.374 4.470 -0.000 0.000 0.164 123 S C 0.928 175.544 174.600 0.027 0.000 0.730 123 S CA 0.488 58.703 58.200 0.024 0.000 1.748 123 S CB -0.783 62.428 63.200 0.019 0.000 1.134 123 S HN 0.426 nan 8.310 nan 0.000 0.485 124 T N 2.442 117.021 114.554 0.041 0.000 2.821 124 T HA 0.035 4.385 4.350 -0.000 0.000 0.267 124 T C 1.510 176.237 174.700 0.045 0.000 1.046 124 T CA 1.745 63.873 62.100 0.048 0.000 1.139 124 T CB -0.356 68.555 68.868 0.072 0.000 0.871 124 T HN 0.624 nan 8.240 nan 0.000 0.454 125 E N 0.570 120.797 120.200 0.044 0.000 2.077 125 E HA -0.195 4.155 4.350 -0.000 0.000 0.193 125 E C 2.164 178.764 176.600 -0.001 0.000 0.989 125 E CA 1.097 57.513 56.400 0.027 0.000 0.800 125 E CB 0.035 29.745 29.700 0.017 0.000 0.746 125 E HN 0.266 nan 8.360 nan 0.000 0.452 126 E N -0.129 120.069 120.200 -0.003 0.000 2.107 126 E HA -0.127 4.223 4.350 -0.000 0.000 0.191 126 E C 1.983 178.585 176.600 0.003 0.000 0.982 126 E CA 0.917 57.311 56.400 -0.010 0.000 0.809 126 E CB -0.134 29.561 29.700 -0.008 0.000 0.756 126 E HN 0.258 nan 8.360 nan 0.000 0.459 127 V N 1.198 121.119 119.914 0.011 0.000 2.407 127 V HA -0.204 3.916 4.120 -0.000 0.000 0.248 127 V C 2.089 178.196 176.094 0.021 0.000 1.055 127 V CA 1.937 64.245 62.300 0.014 0.000 1.049 127 V CB -0.556 31.275 31.823 0.014 0.000 0.662 127 V HN 0.486 nan 8.190 nan 0.000 0.455 128 I N -1.442 119.148 120.570 0.032 0.000 2.353 128 I HA -0.106 4.064 4.170 -0.000 0.000 0.248 128 I C 2.673 178.818 176.117 0.047 0.000 1.119 128 I CA 1.476 62.806 61.300 0.051 0.000 1.417 128 I CB -0.738 37.310 38.000 0.080 0.000 1.078 128 I HN 0.149 nan 8.210 nan 0.000 0.421 129 R N 1.270 121.786 120.500 0.027 0.000 2.159 129 R HA -0.053 4.287 4.340 -0.000 0.000 0.237 129 R C 1.265 177.577 176.300 0.020 0.000 1.131 129 R CA 1.467 57.579 56.100 0.019 0.000 0.982 129 R CB -0.326 29.967 30.300 -0.012 0.000 0.868 129 R HN 0.561 nan 8.270 nan 0.000 0.453 130 N N 0.431 119.140 118.700 0.014 0.000 2.230 130 N HA -0.041 4.698 4.740 -0.000 0.000 0.202 130 N C -0.566 174.948 175.510 0.007 0.000 1.119 130 N CA 0.155 53.211 53.050 0.009 0.000 0.851 130 N CB 0.467 38.957 38.487 0.005 0.000 0.990 130 N HN 0.206 nan 8.380 nan 0.000 0.497 131 D N 1.511 121.917 120.400 0.010 0.000 2.295 131 D HA 0.127 4.767 4.640 -0.000 0.000 0.248 131 D C -1.717 174.576 176.300 -0.011 0.000 1.154 131 D CA -1.859 52.141 54.000 0.001 0.000 0.857 131 D CB 2.370 43.175 40.800 0.007 0.000 1.117 131 D HN -0.074 nan 8.370 nan 0.000 0.468 132 P HA -0.176 nan 4.420 nan 0.000 0.215 132 P C 0.993 178.261 177.300 -0.055 0.000 1.157 132 P CA 1.597 64.678 63.100 -0.031 0.000 0.874 132 P CB 0.213 31.895 31.700 -0.029 0.000 0.790 133 A N -0.916 121.866 122.820 -0.065 0.000 1.902 133 A HA -0.146 4.174 4.320 -0.000 0.000 0.217 133 A C 2.349 179.846 177.584 -0.145 0.000 1.181 133 A CA 1.713 53.686 52.037 -0.106 0.000 0.623 133 A CB -1.654 17.281 19.000 -0.108 0.000 0.818 133 A HN 0.033 nan 8.150 nan 0.000 0.443 134 V N 0.321 120.182 119.914 -0.088 0.000 2.343 134 V HA -0.261 3.859 4.120 -0.000 0.000 0.247 134 V C 2.412 178.450 176.094 -0.092 0.000 1.051 134 V CA 1.976 64.233 62.300 -0.071 0.000 1.036 134 V CB -0.657 31.208 31.823 0.071 0.000 0.654 134 V HN 0.578 nan 8.190 nan 0.000 0.451 135 I N -0.139 120.402 120.570 -0.048 0.000 2.208 135 I HA -0.274 3.896 4.170 -0.000 0.000 0.245 135 I C 2.591 178.661 176.117 -0.078 0.000 1.097 135 I CA 1.880 63.161 61.300 -0.032 0.000 1.363 135 I CB -0.401 37.590 38.000 -0.016 0.000 1.051 135 I HN 0.413 nan 8.210 nan 0.000 0.413 136 E N 0.556 120.687 120.200 -0.115 0.000 2.077 136 E HA -0.256 4.094 4.350 -0.000 0.000 0.193 136 E C 2.226 178.708 176.600 -0.198 0.000 0.989 136 E CA 1.122 57.443 56.400 -0.131 0.000 0.800 136 E CB 0.152 29.774 29.700 -0.131 0.000 0.746 136 E HN 0.423 nan 8.360 nan 0.000 0.452 137 Q N 0.000 119.589 119.800 -0.352 0.000 2.079 137 Q HA -0.142 4.198 4.340 -0.000 0.000 0.200 137 Q C 2.420 178.204 176.000 -0.360 0.000 0.974 137 Q CA 1.122 56.566 55.803 -0.600 0.000 0.840 137 Q CB -0.799 27.063 28.738 -1.460 0.000 0.898 137 Q HN 0.428 nan 8.270 nan 0.000 0.430 138 C N -0.083 119.121 119.300 -0.159 0.000 2.429 138 C HA -0.079 4.381 4.460 -0.000 0.000 0.277 138 C C 2.891 177.886 174.990 0.008 0.000 1.262 138 C CA 0.504 59.568 59.018 0.077 0.000 1.733 138 C CB -1.001 26.814 27.740 0.125 0.000 2.010 138 C HN 0.262 nan 8.230 nan 0.000 0.483 139 V N 0.628 120.521 119.914 -0.034 0.000 2.287 139 V HA -0.201 3.919 4.120 -0.000 0.000 0.248 139 V C 2.365 178.434 176.094 -0.041 0.000 1.053 139 V CA 1.697 63.977 62.300 -0.034 0.000 1.027 139 V CB -0.643 31.157 31.823 -0.039 0.000 0.646 139 V HN 0.402 nan 8.190 nan 0.000 0.447 140 L N 0.073 121.258 121.223 -0.064 0.000 2.131 140 L HA -0.084 4.256 4.340 -0.000 0.000 0.210 140 L C 2.363 179.216 176.870 -0.029 0.000 1.092 140 L CA 1.725 56.532 54.840 -0.056 0.000 0.759 140 L CB -0.995 41.013 42.059 -0.084 0.000 0.903 140 L HN 0.282 nan 8.230 nan 0.000 0.435 141 S N -0.851 114.846 115.700 -0.005 0.000 2.603 141 S HA 0.265 4.735 4.470 -0.000 0.000 0.220 141 S C 1.464 176.052 174.600 -0.019 0.000 0.967 141 S CA 0.674 58.891 58.200 0.029 0.000 0.920 141 S CB 0.055 63.339 63.200 0.140 0.000 0.773 141 S HN 0.620 nan 8.310 nan 0.000 0.529 142 G N 1.176 109.955 108.800 -0.036 0.000 2.163 142 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.213 142 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.213 142 G C -0.080 174.765 174.900 -0.093 0.000 0.991 142 G CA -0.513 44.549 45.100 -0.063 0.000 0.653 142 G HN 0.472 nan 8.290 nan 0.000 0.518 143 I N 2.925 123.451 120.570 -0.073 0.000 2.355 143 I HA 0.326 4.496 4.170 -0.000 0.000 0.288 143 I C -1.897 174.213 176.117 -0.011 0.000 0.999 143 I CA -2.509 58.750 61.300 -0.069 0.000 1.163 143 I CB 2.028 39.996 38.000 -0.053 0.000 1.316 143 I HN -0.110 nan 8.210 nan 0.000 0.454 144 P HA 0.022 nan 4.420 nan 0.000 0.269 144 P C 0.556 177.874 177.300 0.030 0.000 1.209 144 P CA -0.103 63.005 63.100 0.014 0.000 0.776 144 P CB 1.230 32.943 31.700 0.022 0.000 0.876 145 A N 3.874 126.708 122.820 0.023 0.000 2.032 145 A HA -0.236 4.084 4.320 -0.000 0.000 0.221 145 A C 1.658 179.273 177.584 0.052 0.000 1.165 145 A CA 2.049 54.103 52.037 0.029 0.000 0.645 145 A CB -1.564 17.444 19.000 0.014 0.000 0.807 145 A HN 0.813 nan 8.150 nan 0.000 0.453 146 N N -1.306 117.431 118.700 0.061 0.000 2.383 146 N HA 0.024 4.764 4.740 -0.000 0.000 0.192 146 N C 0.423 176.032 175.510 0.165 0.000 1.141 146 N CA 0.433 53.538 53.050 0.092 0.000 0.851 146 N CB 0.068 38.598 38.487 0.071 0.000 0.976 146 N HN 0.577 nan 8.380 nan 0.000 0.465 147 E N -0.053 120.221 120.200 0.124 0.000 2.624 147 E HA 0.156 4.506 4.350 -0.000 0.000 0.210 147 E C 0.778 177.340 176.600 -0.064 0.000 0.997 147 E CA -0.297 56.136 56.400 0.055 0.000 0.999 147 E CB 0.313 30.043 29.700 0.050 0.000 1.040 147 E HN 0.340 nan 8.360 nan 0.000 0.469 148 M N 1.193 120.829 119.600 0.060 0.000 2.346 148 M HA -0.142 4.338 4.480 -0.000 0.000 0.263 148 M C 1.993 178.281 176.300 -0.021 0.000 1.064 148 M CA 1.438 56.761 55.300 0.039 0.000 1.083 148 M CB -1.089 31.548 32.600 0.061 0.000 1.399 148 M HN 0.355 nan 8.290 nan 0.000 0.435 149 H N -0.711 118.353 119.070 -0.009 0.000 2.561 149 H HA 0.022 4.577 4.556 -0.000 0.000 0.278 149 H C 0.907 176.186 175.328 -0.081 0.000 1.014 149 H CA 0.688 56.693 56.048 -0.073 0.000 1.211 149 H CB -0.472 29.262 29.762 -0.046 0.000 1.365 149 H HN 0.378 nan 8.280 nan 0.000 0.594 150 K N 1.061 121.203 120.400 -0.429 0.000 2.374 150 K HA 0.218 4.538 4.320 -0.000 0.000 0.196 150 K C 0.077 176.730 176.600 0.087 0.000 1.023 150 K CA -0.073 56.095 56.287 -0.198 0.000 1.103 150 K CB 1.306 33.618 32.500 -0.314 0.000 0.848 150 K HN 0.021 nan 8.250 nan 0.000 0.528 151 V N 2.109 122.055 119.914 0.054 0.000 2.509 151 V HA 0.219 4.339 4.120 -0.000 0.000 0.284 151 V C -0.668 175.454 176.094 0.047 0.000 1.047 151 V CA -0.432 61.973 62.300 0.175 0.000 0.952 151 V CB 0.355 32.257 31.823 0.132 0.000 0.988 151 V HN 0.043 nan 8.190 nan 0.000 0.469 152 Y N 2.685 123.020 120.300 0.058 0.000 2.634 152 Y HA 0.786 5.336 4.550 -0.000 0.000 0.340 152 Y C 0.174 176.137 175.900 0.105 0.000 1.058 152 Y CA -1.026 57.108 58.100 0.056 0.000 1.081 152 Y CB 2.065 40.531 38.460 0.010 0.000 1.295 152 Y HN 0.874 nan 8.280 nan 0.000 0.487 153 C N -1.066 118.401 119.300 0.279 0.000 3.171 153 C HA 0.657 5.117 4.460 -0.000 0.000 0.336 153 C C -1.805 173.345 174.990 0.267 0.000 1.198 153 C CA -0.929 58.244 59.018 0.259 0.000 1.319 153 C CB 1.541 29.368 27.740 0.145 0.000 1.682 153 C HN 0.757 nan 8.230 nan 0.000 0.497 154 D N 4.074 124.675 120.400 0.336 0.000 2.329 154 D HA 0.488 5.128 4.640 -0.000 0.000 0.232 154 D C -2.305 174.240 176.300 0.409 0.000 1.088 154 D CA -1.149 53.072 54.000 0.369 0.000 0.835 154 D CB 1.878 42.989 40.800 0.519 0.000 1.078 154 D HN 0.567 nan 8.370 nan 0.000 0.495 155 P HA 0.149 nan 4.420 nan 0.000 0.281 155 P C -0.761 176.786 177.300 0.411 0.000 1.286 155 P CA -0.398 62.876 63.100 0.291 0.000 0.772 155 P CB 0.350 32.157 31.700 0.178 0.000 0.862 156 W N 1.919 123.308 121.300 0.149 0.000 2.647 156 W HA 0.328 4.988 4.660 -0.000 0.000 0.353 156 W C 0.525 177.167 176.519 0.205 0.000 1.080 156 W CA -0.187 57.300 57.345 0.237 0.000 1.208 156 W CB 0.762 30.324 29.460 0.170 0.000 1.396 156 W HN 0.200 nan 8.180 nan 0.000 0.573 157 T N 0.879 115.695 114.554 0.436 0.000 2.900 157 T HA 0.044 4.394 4.350 -0.000 0.000 0.307 157 T C 0.994 175.822 174.700 0.213 0.000 1.065 157 T CA -0.485 61.726 62.100 0.184 0.000 1.105 157 T CB 0.806 69.672 68.868 -0.003 0.000 0.979 157 T HN 0.520 nan 8.240 nan 0.000 0.544 158 I N 0.875 121.520 120.570 0.124 0.000 3.176 158 I HA 0.104 4.274 4.170 -0.000 0.000 0.275 158 I C 1.715 177.882 176.117 0.084 0.000 1.298 158 I CA 1.159 62.516 61.300 0.095 0.000 1.445 158 I CB -0.980 37.050 38.000 0.050 0.000 1.075 158 I HN 1.109 nan 8.210 nan 0.000 0.482 159 G N 1.016 109.857 108.800 0.069 0.000 4.766 159 G HA2 -0.387 3.573 3.960 -0.000 0.000 0.314 159 G HA3 -0.387 3.573 3.960 -0.000 0.000 0.314 159 G C -0.019 174.990 174.900 0.180 0.000 1.427 159 G CA 0.603 45.696 45.100 -0.012 0.000 1.024 159 G HN 0.442 nan 8.290 nan 0.000 0.754 160 Y N 1.810 122.157 120.300 0.079 0.000 2.376 160 Y HA 0.573 5.123 4.550 -0.000 0.000 0.321 160 Y C -2.178 173.782 175.900 0.099 0.000 1.189 160 Y CA -0.667 57.494 58.100 0.101 0.000 1.069 160 Y CB 2.032 40.547 38.460 0.092 0.000 1.292 160 Y HN 0.459 nan 8.280 nan 0.000 0.430 161 D N 5.556 125.490 120.400 -0.777 0.000 2.542 161 D HA 0.135 4.775 4.640 -0.000 0.000 0.252 161 D C 0.620 176.446 176.300 -0.790 0.000 1.222 161 D CA -0.240 53.439 54.000 -0.534 0.000 0.895 161 D CB 1.421 42.216 40.800 -0.009 0.000 1.207 161 D HN 0.834 nan 8.370 nan 0.000 0.558 162 E N 3.583 123.367 120.200 -0.693 0.000 2.396 162 E HA -0.193 4.157 4.350 -0.000 0.000 0.200 162 E C 0.811 177.192 176.600 -0.364 0.000 1.023 162 E CA 0.658 56.824 56.400 -0.391 0.000 0.857 162 E CB -0.008 29.619 29.700 -0.121 0.000 0.775 162 E HN 0.469 nan 8.360 nan 0.000 0.525 163 R N -0.807 119.371 120.500 -0.537 0.000 2.236 163 R HA 0.035 4.375 4.340 -0.000 0.000 0.208 163 R C 1.217 176.888 176.300 -1.049 0.000 1.036 163 R CA 1.106 56.650 56.100 -0.926 0.000 1.001 163 R CB 0.070 29.452 30.300 -1.530 0.000 0.896 163 R HN 0.341 nan 8.270 nan 0.000 0.464 164 W N -0.760 120.438 121.300 -0.171 0.000 2.520 164 W HA 0.301 4.961 4.660 -0.000 0.000 0.272 164 W C 0.982 177.466 176.519 -0.058 0.000 0.984 164 W CA 0.434 57.717 57.345 -0.103 0.000 1.314 164 W CB 0.010 29.415 29.460 -0.092 0.000 0.945 164 W HN 0.207 nan 8.180 nan 0.000 0.596 165 G N 2.136 110.987 108.800 0.085 0.000 2.611 165 G HA2 -0.424 3.536 3.960 -0.000 0.000 0.301 165 G HA3 -0.424 3.536 3.960 -0.000 0.000 0.301 165 G C 0.773 175.806 174.900 0.223 0.000 1.233 165 G CA 2.234 47.451 45.100 0.195 0.000 0.993 165 G HN 0.159 nan 8.290 nan 0.000 0.553 166 T N -1.925 112.750 114.554 0.202 0.000 3.092 166 T HA 0.494 4.844 4.350 -0.000 0.000 0.258 166 T C 2.121 176.893 174.700 0.119 0.000 1.031 166 T CA 1.041 63.239 62.100 0.164 0.000 0.925 166 T CB 0.693 69.655 68.868 0.156 0.000 1.036 166 T HN 1.655 nan 8.240 nan 0.000 0.544 167 G N 1.258 110.138 108.800 0.132 0.000 2.501 167 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.220 167 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.220 167 G C 0.392 175.344 174.900 0.087 0.000 1.114 167 G CA 0.276 45.442 45.100 0.109 0.000 0.757 167 G HN 0.560 nan 8.290 nan 0.000 0.559 168 K N -0.824 119.624 120.400 0.079 0.000 2.523 168 K HA 0.373 4.693 4.320 -0.000 0.000 0.257 168 K C -0.949 175.650 176.600 -0.002 0.000 0.932 168 K CA -0.955 55.341 56.287 0.015 0.000 0.812 168 K CB 1.854 34.332 32.500 -0.036 0.000 1.326 168 K HN -0.005 nan 8.250 nan 0.000 0.433 169 R N 4.041 124.530 120.500 -0.018 0.000 2.248 169 R HA 0.227 4.567 4.340 -0.000 0.000 0.337 169 R C -1.005 175.272 176.300 -0.038 0.000 1.085 169 R CA -0.372 55.722 56.100 -0.010 0.000 0.934 169 R CB 0.191 30.487 30.300 -0.006 0.000 1.034 169 R HN 0.265 nan 8.270 nan 0.000 0.465 170 L N 2.941 124.143 121.223 -0.034 0.000 2.319 170 L HA 0.483 4.823 4.340 -0.000 0.000 0.267 170 L C -0.181 176.688 176.870 -0.002 0.000 1.011 170 L CA -0.615 54.184 54.840 -0.067 0.000 0.818 170 L CB 1.931 43.898 42.059 -0.153 0.000 1.316 170 L HN 0.628 nan 8.230 nan 0.000 0.432 171 Q N 0.858 120.659 119.800 0.001 0.000 2.423 171 Q HA 0.604 4.943 4.340 -0.000 0.000 0.278 171 Q C -1.348 174.687 176.000 0.058 0.000 1.097 171 Q CA -0.837 55.011 55.803 0.074 0.000 0.809 171 Q CB 3.227 32.023 28.738 0.097 0.000 1.391 171 Q HN 0.614 nan 8.270 nan 0.000 0.428 172 Q N -0.044 119.823 119.800 0.111 0.000 2.353 172 Q HA 0.820 5.160 4.340 -0.000 0.000 0.268 172 Q C -1.542 174.508 176.000 0.084 0.000 1.045 172 Q CA -1.023 54.818 55.803 0.062 0.000 0.811 172 Q CB 1.996 30.747 28.738 0.020 0.000 1.305 172 Q HN 0.539 nan 8.270 nan 0.000 0.447 173 A N 4.392 127.239 122.820 0.045 0.000 2.258 173 A HA 0.488 4.808 4.320 -0.000 0.000 0.316 173 A C -0.446 177.113 177.584 -0.043 0.000 1.279 173 A CA -0.845 51.223 52.037 0.052 0.000 0.876 173 A CB 0.482 19.524 19.000 0.069 0.000 1.170 173 A HN 0.811 nan 8.150 nan 0.000 0.520 174 L N 4.011 125.201 121.223 -0.054 0.000 2.295 174 L HA 0.241 4.581 4.340 -0.000 0.000 0.288 174 L C -0.319 176.473 176.870 -0.130 0.000 1.079 174 L CA -0.524 54.221 54.840 -0.158 0.000 0.830 174 L CB 0.670 42.644 42.059 -0.141 0.000 1.200 174 L HN 0.418 nan 8.230 nan 0.000 0.438 175 V N 4.117 123.815 119.914 -0.359 0.000 2.583 175 V HA 0.278 4.398 4.120 -0.000 0.000 0.287 175 V C -0.391 175.355 176.094 -0.579 0.000 1.051 175 V CA -0.161 61.931 62.300 -0.347 0.000 1.010 175 V CB 0.814 32.328 31.823 -0.516 0.000 0.988 175 V HN 0.424 nan 8.190 nan 0.000 0.478 176 Y N 2.463 122.750 120.300 -0.021 0.000 2.615 176 Y HA 0.592 5.142 4.550 -0.000 0.000 0.341 176 Y C -0.784 175.213 175.900 0.162 0.000 1.089 176 Y CA -0.921 57.191 58.100 0.019 0.000 1.049 176 Y CB 1.989 40.385 38.460 -0.107 0.000 1.296 176 Y HN 0.590 nan 8.280 nan 0.000 0.470 177 Y N 1.502 121.940 120.300 0.229 0.000 2.446 177 Y HA 0.702 5.252 4.550 -0.000 0.000 0.345 177 Y C -1.061 174.940 175.900 0.168 0.000 0.984 177 Y CA -1.363 56.855 58.100 0.195 0.000 1.058 177 Y CB 1.371 39.935 38.460 0.173 0.000 1.220 177 Y HN 0.543 nan 8.280 nan 0.000 0.455 178 R N 3.100 123.162 120.500 -0.731 0.000 2.480 178 R HA 0.249 4.589 4.340 -0.000 0.000 0.306 178 R C 0.555 176.139 176.300 -1.193 0.000 0.958 178 R CA -0.009 55.577 56.100 -0.855 0.000 0.861 178 R CB 1.857 31.714 30.300 -0.739 0.000 1.171 178 R HN 0.912 nan 8.270 nan 0.000 0.445 179 S N 0.849 115.893 115.700 -1.094 0.000 2.436 179 S HA -0.089 4.381 4.470 -0.000 0.000 0.228 179 S C 0.440 174.798 174.600 -0.404 0.000 1.014 179 S CA 0.797 58.650 58.200 -0.578 0.000 0.950 179 S CB 0.099 63.162 63.200 -0.229 0.000 0.784 179 S HN 0.668 nan 8.310 nan 0.000 0.504 180 D N -0.135 119.981 120.400 -0.474 0.000 2.934 180 D HA 0.235 4.875 4.640 -0.000 0.000 0.230 180 D C 0.741 176.858 176.300 -0.305 0.000 1.204 180 D CA -0.458 53.370 54.000 -0.286 0.000 0.873 180 D CB 1.591 42.261 40.800 -0.217 0.000 1.645 180 D HN 0.196 nan 8.370 nan 0.000 0.502 181 E N 1.723 121.819 120.200 -0.174 0.000 2.219 181 E HA -0.266 4.084 4.350 -0.000 0.000 0.198 181 E C 0.189 176.655 176.600 -0.224 0.000 0.998 181 E CA 1.201 57.513 56.400 -0.147 0.000 0.818 181 E CB -0.010 29.676 29.700 -0.024 0.000 0.741 181 E HN 0.391 nan 8.360 nan 0.000 0.477 182 D N 1.157 121.424 120.400 -0.220 0.000 2.340 182 D HA 0.036 4.676 4.640 -0.000 0.000 0.220 182 D C -0.241 175.900 176.300 -0.264 0.000 1.039 182 D CA 0.258 54.113 54.000 -0.242 0.000 0.866 182 D CB -0.100 40.568 40.800 -0.221 0.000 0.913 182 D HN 0.184 nan 8.370 nan 0.000 0.523 183 D N -0.035 120.143 120.400 -0.369 0.000 2.360 183 D HA 0.019 4.659 4.640 -0.000 0.000 0.242 183 D C 0.116 176.167 176.300 -0.414 0.000 1.184 183 D CA 0.187 53.896 54.000 -0.485 0.000 0.930 183 D CB 0.909 41.263 40.800 -0.744 0.000 1.161 183 D HN -0.221 nan 8.370 nan 0.000 0.447 184 S N 0.239 115.723 115.700 -0.359 0.000 2.404 184 S HA 0.034 4.504 4.470 -0.000 0.000 0.309 184 S C 1.248 175.785 174.600 -0.106 0.000 1.076 184 S CA -0.667 57.415 58.200 -0.196 0.000 1.095 184 S CB 0.332 63.458 63.200 -0.123 0.000 0.972 184 S HN 0.366 nan 8.310 nan 0.000 0.484 185 Q N 4.074 123.691 119.800 -0.305 0.000 2.308 185 Q HA -0.206 4.134 4.340 -0.000 0.000 0.209 185 Q C 0.406 176.279 176.000 -0.211 0.000 0.985 185 Q CA 1.779 57.404 55.803 -0.296 0.000 0.881 185 Q CB -0.658 27.739 28.738 -0.568 0.000 0.917 185 Q HN 0.884 nan 8.270 nan 0.000 0.443 186 Y N 2.081 122.357 120.300 -0.040 0.000 2.556 186 Y HA -0.122 4.428 4.550 -0.000 0.000 0.290 186 Y C 2.535 178.642 175.900 0.345 0.000 1.149 186 Y CA 1.236 59.376 58.100 0.067 0.000 1.329 186 Y CB -0.127 38.356 38.460 0.038 0.000 0.975 186 Y HN 0.374 nan 8.280 nan 0.000 0.561 187 S N -1.928 114.021 115.700 0.415 0.000 2.558 187 S HA -0.020 4.450 4.470 -0.000 0.000 0.217 187 S C 0.183 174.827 174.600 0.073 0.000 0.975 187 S CA 0.264 58.657 58.200 0.323 0.000 0.912 187 S CB -0.352 62.939 63.200 0.153 0.000 0.776 187 S HN 0.453 nan 8.310 nan 0.000 0.526 188 H N 2.222 121.364 119.070 0.121 0.000 2.386 188 H HA 0.439 4.995 4.556 -0.000 0.000 0.232 188 H C -2.812 172.597 175.328 0.135 0.000 1.416 188 H CA -1.857 54.254 56.048 0.106 0.000 1.285 188 H CB 0.624 30.449 29.762 0.105 0.000 1.625 188 H HN 0.355 nan 8.280 nan 0.000 0.521 189 P HA 0.071 nan 4.420 nan 0.000 0.274 189 P C -0.015 177.088 177.300 -0.330 0.000 1.231 189 P CA -0.191 62.705 63.100 -0.340 0.000 0.790 189 P CB 1.910 33.360 31.700 -0.417 0.000 0.951 190 L N 1.797 122.764 121.223 -0.427 0.000 2.416 190 L HA 0.242 4.581 4.340 -0.000 0.000 0.263 190 L C 1.714 178.350 176.870 -0.389 0.000 1.065 190 L CA -0.441 54.187 54.840 -0.352 0.000 0.798 190 L CB 0.568 42.362 42.059 -0.442 0.000 1.267 190 L HN 0.377 nan 8.230 nan 0.000 0.467 191 D N -0.830 119.464 120.400 -0.177 0.000 2.348 191 D HA -0.028 4.612 4.640 -0.000 0.000 0.211 191 D C 0.153 176.582 176.300 0.216 0.000 0.998 191 D CA 0.183 54.182 54.000 -0.002 0.000 0.873 191 D CB -0.096 40.752 40.800 0.081 0.000 0.925 191 D HN 0.223 nan 8.370 nan 0.000 0.524 192 F N -0.580 119.415 119.950 0.074 0.000 2.457 192 F HA 0.606 5.133 4.527 -0.000 0.000 0.330 192 F C -0.363 175.466 175.800 0.049 0.000 1.069 192 F CA -2.273 55.769 58.000 0.070 0.000 1.009 192 F CB 0.967 39.984 39.000 0.029 0.000 1.276 192 F HN -0.129 nan 8.300 nan 0.000 0.492 193 C N 3.696 123.121 119.300 0.209 0.000 2.534 193 C HA 0.592 5.052 4.460 -0.000 0.000 0.309 193 C C -2.756 172.339 174.990 0.175 0.000 1.072 193 C CA -2.045 57.021 59.018 0.080 0.000 1.441 193 C CB -0.173 27.563 27.740 -0.007 0.000 1.906 193 C HN 0.663 nan 8.230 nan 0.000 0.429 194 P HA 0.390 nan 4.420 nan 0.000 0.272 194 P C -0.773 176.591 177.300 0.107 0.000 1.223 194 P CA 0.155 63.358 63.100 0.171 0.000 0.784 194 P CB 0.555 32.356 31.700 0.169 0.000 0.923 195 I N 1.740 122.364 120.570 0.090 0.000 2.410 195 I HA 0.259 4.429 4.170 -0.000 0.000 0.286 195 I C -0.605 175.475 176.117 -0.061 0.000 1.009 195 I CA -0.887 60.410 61.300 -0.005 0.000 1.111 195 I CB 1.727 39.693 38.000 -0.057 0.000 1.262 195 I HN -0.046 nan 8.210 nan 0.000 0.443 196 V N 4.690 124.569 119.914 -0.057 0.000 2.483 196 V HA 0.266 4.386 4.120 -0.000 0.000 0.295 196 V C -0.074 175.966 176.094 -0.090 0.000 1.035 196 V CA -0.671 61.596 62.300 -0.054 0.000 0.896 196 V CB 2.022 33.844 31.823 -0.002 0.000 0.986 196 V HN 0.618 nan 8.190 nan 0.000 0.447 197 D N 2.935 123.280 120.400 -0.092 0.000 2.365 197 D HA 0.132 4.772 4.640 -0.000 0.000 0.237 197 D C 1.193 177.465 176.300 -0.046 0.000 1.190 197 D CA 0.013 53.957 54.000 -0.093 0.000 0.867 197 D CB 1.758 42.503 40.800 -0.091 0.000 1.050 197 D HN 0.629 nan 8.370 nan 0.000 0.491 198 T N 3.094 117.628 114.554 -0.033 0.000 2.665 198 T HA -0.210 4.140 4.350 -0.000 0.000 0.268 198 T C 1.528 176.221 174.700 -0.012 0.000 1.035 198 T CA 1.181 63.275 62.100 -0.010 0.000 1.151 198 T CB 0.072 68.941 68.868 0.002 0.000 0.862 198 T HN 0.577 nan 8.240 nan 0.000 0.438 199 E N 0.496 120.684 120.200 -0.020 0.000 2.072 199 E HA -0.139 4.210 4.350 -0.000 0.000 0.190 199 E C 1.941 178.530 176.600 -0.018 0.000 0.982 199 E CA 0.785 57.173 56.400 -0.020 0.000 0.803 199 E CB 0.099 29.785 29.700 -0.024 0.000 0.755 199 E HN 0.323 nan 8.360 nan 0.000 0.453 200 E N 0.617 120.804 120.200 -0.021 0.000 2.427 200 E HA -0.057 4.293 4.350 -0.000 0.000 0.196 200 E C 0.144 176.736 176.600 -0.014 0.000 1.028 200 E CA 0.263 56.653 56.400 -0.018 0.000 0.864 200 E CB 0.071 29.758 29.700 -0.021 0.000 0.813 200 E HN 0.101 nan 8.360 nan 0.000 0.514 201 K N 0.816 121.208 120.400 -0.013 0.000 3.148 201 K HA -0.222 4.098 4.320 -0.000 0.000 0.267 201 K C -0.401 176.195 176.600 -0.007 0.000 0.996 201 K CA 0.943 57.226 56.287 -0.006 0.000 0.737 201 K CB -1.300 31.199 32.500 -0.002 0.000 1.308 201 K HN 0.326 nan 8.250 nan 0.000 0.470 202 K N -2.497 117.895 120.400 -0.014 0.000 2.532 202 K HA 0.532 4.852 4.320 -0.000 0.000 0.265 202 K C -0.711 175.878 176.600 -0.019 0.000 0.948 202 K CA -1.245 55.035 56.287 -0.012 0.000 0.842 202 K CB 1.672 34.166 32.500 -0.010 0.000 1.392 202 K HN -0.126 nan 8.250 nan 0.000 0.436 203 V N 3.622 123.531 119.914 -0.008 0.000 2.508 203 V HA 0.089 4.209 4.120 -0.000 0.000 0.281 203 V C 1.245 177.336 176.094 -0.006 0.000 1.041 203 V CA -0.180 62.117 62.300 -0.005 0.000 1.016 203 V CB 0.391 32.220 31.823 0.010 0.000 0.984 203 V HN 0.853 nan 8.190 nan 0.000 0.478 204 I N 1.483 122.042 120.570 -0.018 0.000 4.057 204 I HA 0.546 4.716 4.170 -0.000 0.000 0.334 204 I C 0.072 176.299 176.117 0.184 0.000 1.308 204 I CA 0.400 61.712 61.300 0.019 0.000 1.125 204 I CB 0.499 38.441 38.000 -0.097 0.000 1.034 204 I HN 0.480 nan 8.210 nan 0.000 0.401 205 F N 1.085 121.019 119.950 -0.026 0.000 2.769 205 F HA 0.601 5.128 4.527 -0.000 0.000 0.313 205 F C -2.107 173.736 175.800 0.071 0.000 1.146 205 F CA -0.997 57.046 58.000 0.071 0.000 0.934 205 F CB 1.552 40.677 39.000 0.209 0.000 1.283 205 F HN -0.214 nan 8.300 nan 0.000 0.443 206 I N 3.672 124.073 120.570 -0.283 0.000 2.512 206 I HA 0.271 4.441 4.170 -0.000 0.000 0.287 206 I C -1.402 174.762 176.117 0.078 0.000 1.069 206 I CA -0.795 60.505 61.300 -0.001 0.000 1.056 206 I CB 1.832 39.781 38.000 -0.085 0.000 1.229 206 I HN 0.351 nan 8.210 nan 0.000 0.429 207 D N 7.625 128.244 120.400 0.365 0.000 2.325 207 D HA 0.408 5.048 4.640 -0.000 0.000 0.251 207 D C -0.232 176.228 176.300 0.268 0.000 1.196 207 D CA 0.324 54.573 54.000 0.415 0.000 0.866 207 D CB 1.577 42.620 40.800 0.404 0.000 1.101 207 D HN 0.299 nan 8.370 nan 0.000 0.476 208 I N 4.710 125.400 120.570 0.201 0.000 2.378 208 I HA 0.218 4.388 4.170 -0.000 0.000 0.291 208 I C -1.846 174.362 176.117 0.151 0.000 0.992 208 I CA -1.897 59.495 61.300 0.154 0.000 1.154 208 I CB 1.905 39.932 38.000 0.045 0.000 1.315 208 I HN 0.083 nan 8.210 nan 0.000 0.448 209 P HA 0.182 nan 4.420 nan 0.000 0.272 209 P C -0.287 177.074 177.300 0.101 0.000 1.223 209 P CA -0.219 62.971 63.100 0.149 0.000 0.784 209 P CB 1.047 32.867 31.700 0.200 0.000 0.923 210 N N 0.378 119.127 118.700 0.081 0.000 2.142 210 N HA -0.098 4.642 4.740 -0.000 0.000 0.186 210 N C 1.054 176.599 175.510 0.057 0.000 1.023 210 N CA 0.492 53.574 53.050 0.053 0.000 0.852 210 N CB 0.072 38.583 38.487 0.039 0.000 0.998 210 N HN 0.369 nan 8.380 nan 0.000 0.424 211 R N 1.953 122.499 120.500 0.077 0.000 2.196 211 R HA 0.137 4.477 4.340 -0.000 0.000 0.340 211 R C -0.722 175.628 176.300 0.084 0.000 1.043 211 R CA -0.504 55.640 56.100 0.073 0.000 0.883 211 R CB 0.440 30.790 30.300 0.084 0.000 1.078 211 R HN 0.002 nan 8.270 nan 0.000 0.462 212 R N 3.253 123.790 120.500 0.060 0.000 2.490 212 R HA 0.266 4.606 4.340 -0.000 0.000 0.278 212 R C -0.371 175.954 176.300 0.041 0.000 1.069 212 R CA -0.559 55.577 56.100 0.060 0.000 1.080 212 R CB 0.764 31.087 30.300 0.039 0.000 1.030 212 R HN 0.506 nan 8.270 nan 0.000 0.491 213 R N 1.250 121.770 120.500 0.032 0.000 2.483 213 R HA 0.290 4.630 4.340 -0.000 0.000 0.303 213 R C -0.344 175.945 176.300 -0.018 0.000 0.987 213 R CA -0.451 55.644 56.100 -0.009 0.000 0.881 213 R CB 1.763 32.033 30.300 -0.051 0.000 1.177 213 R HN 0.348 nan 8.270 nan 0.000 0.451 214 K N 1.554 121.942 120.400 -0.020 0.000 2.138 214 K HA 0.281 4.601 4.320 -0.000 0.000 0.251 214 K C 0.142 176.713 176.600 -0.049 0.000 1.015 214 K CA -0.730 55.542 56.287 -0.025 0.000 0.917 214 K CB 0.790 33.273 32.500 -0.029 0.000 1.021 214 K HN 0.268 nan 8.250 nan 0.000 0.485 215 V N 0.294 120.172 119.914 -0.059 0.000 2.953 215 V HA -0.090 4.030 4.120 -0.000 0.000 0.304 215 V C 0.836 176.907 176.094 -0.039 0.000 1.138 215 V CA -0.258 62.003 62.300 -0.066 0.000 1.266 215 V CB 0.524 32.257 31.823 -0.149 0.000 0.923 215 V HN 0.780 nan 8.190 nan 0.000 0.505 216 S N 1.776 117.463 115.700 -0.021 0.000 2.549 216 S HA 0.200 4.670 4.470 -0.000 0.000 0.283 216 S C 0.678 175.338 174.600 0.099 0.000 1.320 216 S CA -0.388 57.796 58.200 -0.025 0.000 1.058 216 S CB 0.500 63.528 63.200 -0.287 0.000 0.882 216 S HN 0.756 nan 8.310 nan 0.000 0.498 217 K N 2.499 122.894 120.400 -0.008 0.000 2.387 217 K HA 0.266 4.586 4.320 -0.000 0.000 0.198 217 K C -0.153 176.435 176.600 -0.020 0.000 1.022 217 K CA 0.145 56.420 56.287 -0.020 0.000 1.128 217 K CB -0.052 32.380 32.500 -0.114 0.000 0.853 217 K HN 0.674 nan 8.250 nan 0.000 0.523 218 H N 0.078 119.245 119.070 0.162 0.000 2.544 218 H HA 0.215 4.771 4.556 -0.000 0.000 0.365 218 H C 0.056 175.584 175.328 0.334 0.000 1.268 218 H CA -0.148 56.005 56.048 0.175 0.000 1.400 218 H CB 0.736 30.541 29.762 0.071 0.000 1.538 218 H HN -0.171 nan 8.280 nan 0.000 0.597 219 K N 0.728 121.392 120.400 0.440 0.000 2.219 219 K HA 0.094 4.413 4.320 -0.000 0.000 0.258 219 K C -0.479 176.401 176.600 0.468 0.000 1.008 219 K CA -0.309 56.205 56.287 0.378 0.000 0.928 219 K CB 0.322 32.991 32.500 0.283 0.000 0.983 219 K HN 0.510 nan 8.250 nan 0.000 0.484 220 H N -0.141 119.046 119.070 0.194 0.000 2.690 220 H HA 0.157 4.713 4.556 -0.000 0.000 0.365 220 H C -0.269 175.039 175.328 -0.033 0.000 1.142 220 H CA 0.089 56.205 56.048 0.112 0.000 1.417 220 H CB 0.850 30.523 29.762 -0.147 0.000 1.446 220 H HN 0.647 nan 8.280 nan 0.000 0.599 221 A N 3.967 126.686 122.820 -0.169 0.000 2.506 221 A HA 0.212 4.532 4.320 -0.000 0.000 0.320 221 A C -0.104 177.311 177.584 -0.282 0.000 1.424 221 A CA -0.682 51.136 52.037 -0.365 0.000 1.044 221 A CB -0.558 17.973 19.000 -0.782 0.000 1.140 221 A HN 0.656 nan 8.150 nan 0.000 0.538 222 N N 0.958 119.503 118.700 -0.259 0.000 2.477 222 N HA 0.613 5.353 4.740 -0.000 0.000 0.284 222 N C -0.173 175.243 175.510 -0.156 0.000 1.182 222 N CA -0.315 52.469 53.050 -0.444 0.000 0.949 222 N CB 1.198 39.083 38.487 -1.003 0.000 1.204 222 N HN 0.587 nan 8.380 nan 0.000 0.526 223 F N -2.075 117.878 119.950 0.005 0.000 2.838 223 F HA 0.446 4.973 4.527 -0.000 0.000 0.329 223 F C -0.397 175.438 175.800 0.059 0.000 1.116 223 F CA -0.825 57.182 58.000 0.011 0.000 1.155 223 F CB -0.546 38.377 39.000 -0.127 0.000 1.106 223 F HN 0.198 nan 8.300 nan 0.000 0.538 224 Y N 2.392 122.834 120.300 0.236 0.000 2.300 224 Y HA 0.357 4.907 4.550 -0.000 0.000 0.328 224 Y C -1.062 174.860 175.900 0.036 0.000 1.270 224 Y CA -1.752 56.421 58.100 0.122 0.000 1.352 224 Y CB 0.332 38.742 38.460 -0.083 0.000 1.286 224 Y HN -0.226 nan 8.280 nan 0.000 0.536 225 P HA -0.300 nan 4.420 nan 0.000 0.217 225 P C 1.159 178.473 177.300 0.023 0.000 1.162 225 P CA 2.909 66.049 63.100 0.067 0.000 0.901 225 P CB 0.119 31.851 31.700 0.054 0.000 0.793 226 K N -1.068 119.295 120.400 -0.062 0.000 2.103 226 K HA -0.227 4.093 4.320 -0.000 0.000 0.207 226 K C 1.758 178.316 176.600 -0.070 0.000 1.048 226 K CA 1.834 58.052 56.287 -0.115 0.000 0.930 226 K CB -1.197 31.172 32.500 -0.219 0.000 0.716 226 K HN 0.292 nan 8.250 nan 0.000 0.444 227 H N 0.017 119.109 119.070 0.037 0.000 2.333 227 H HA 0.048 4.604 4.556 -0.000 0.000 0.302 227 H C 2.186 177.537 175.328 0.037 0.000 1.075 227 H CA 1.405 57.466 56.048 0.021 0.000 1.348 227 H CB 0.049 29.811 29.762 0.001 0.000 1.393 227 H HN 0.077 nan 8.280 nan 0.000 0.509 228 M N 0.274 119.977 119.600 0.172 0.000 2.159 228 M HA -0.116 4.364 4.480 -0.000 0.000 0.263 228 M C 2.314 178.663 176.300 0.081 0.000 1.063 228 M CA 1.258 56.627 55.300 0.115 0.000 1.110 228 M CB -0.682 31.976 32.600 0.097 0.000 1.374 228 M HN 0.323 nan 8.290 nan 0.000 0.411 229 I N -0.326 120.282 120.570 0.063 0.000 2.286 229 I HA -0.264 3.906 4.170 -0.000 0.000 0.248 229 I C 2.608 178.755 176.117 0.050 0.000 1.115 229 I CA 1.139 62.466 61.300 0.045 0.000 1.392 229 I CB -0.336 37.680 38.000 0.026 0.000 1.065 229 I HN 0.361 nan 8.210 nan 0.000 0.418 230 E N 1.074 121.312 120.200 0.063 0.000 2.158 230 E HA -0.206 4.144 4.350 -0.000 0.000 0.191 230 E C 2.022 178.667 176.600 0.075 0.000 0.982 230 E CA 0.947 57.386 56.400 0.066 0.000 0.823 230 E CB 0.253 30.000 29.700 0.077 0.000 0.766 230 E HN 0.387 nan 8.360 nan 0.000 0.468 231 K N 0.416 120.869 120.400 0.088 0.000 1.975 231 K HA -0.063 4.257 4.320 -0.000 0.000 0.210 231 K C 1.530 178.175 176.600 0.075 0.000 1.041 231 K CA 1.310 57.651 56.287 0.090 0.000 0.942 231 K CB -0.032 32.530 32.500 0.102 0.000 0.729 231 K HN 0.028 nan 8.250 nan 0.000 0.439 232 V N -2.158 117.798 119.914 0.068 0.000 3.613 232 V HA 0.422 4.542 4.120 -0.000 0.000 0.283 232 V C 1.422 177.545 176.094 0.048 0.000 1.052 232 V CA 0.008 62.342 62.300 0.056 0.000 0.937 232 V CB 0.403 32.258 31.823 0.053 0.000 1.241 232 V HN 0.352 nan 8.190 nan 0.000 0.429 233 G N -0.622 108.202 108.800 0.040 0.000 2.394 233 G HA2 0.459 4.419 3.960 -0.000 0.000 0.214 233 G HA3 0.459 4.419 3.960 -0.000 0.000 0.214 233 G C 0.419 175.338 174.900 0.032 0.000 1.176 233 G CA 0.985 46.105 45.100 0.034 0.000 0.786 233 G HN 1.631 nan 8.290 nan 0.000 0.533 234 A N -1.721 121.118 122.820 0.031 0.000 2.536 234 A HA 0.681 5.001 4.320 -0.000 0.000 0.293 234 A C -0.641 176.959 177.584 0.028 0.000 1.119 234 A CA -0.667 51.386 52.037 0.027 0.000 0.654 234 A CB 0.631 19.644 19.000 0.021 0.000 1.291 234 A HN 0.014 nan 8.150 nan 0.000 0.439 235 M N 0.634 120.249 119.600 0.025 0.000 2.197 235 M HA 0.373 4.853 4.480 -0.000 0.000 0.305 235 M C 0.671 176.982 176.300 0.019 0.000 1.162 235 M CA 0.092 55.406 55.300 0.024 0.000 1.099 235 M CB 0.104 32.717 32.600 0.022 0.000 1.430 235 M HN 0.749 nan 8.290 nan 0.000 0.481 236 R N 0.404 120.914 120.500 0.017 0.000 2.637 236 R HA 0.410 4.750 4.340 -0.000 0.000 0.269 236 R C -2.102 174.205 176.300 0.011 0.000 1.089 236 R CA -1.359 54.748 56.100 0.013 0.000 1.177 236 R CB -0.509 29.798 30.300 0.011 0.000 1.091 236 R HN 0.381 nan 8.270 nan 0.000 0.540 237 P HA 0.050 nan 4.420 nan 0.000 0.275 237 P C -0.927 176.377 177.300 0.007 0.000 1.228 237 P CA -0.366 62.739 63.100 0.008 0.000 0.786 237 P CB 0.549 32.253 31.700 0.007 0.000 0.927 238 E N 0.996 121.200 120.200 0.006 0.000 2.465 238 E HA 0.274 4.624 4.350 -0.000 0.000 0.260 238 E C -0.160 176.443 176.600 0.004 0.000 0.980 238 E CA -0.003 56.400 56.400 0.005 0.000 0.927 238 E CB 0.177 29.880 29.700 0.005 0.000 0.934 238 E HN 0.477 nan 8.360 nan 0.000 0.459 239 A N 5.386 128.207 122.820 0.002 0.000 2.351 239 A HA 0.397 4.717 4.320 -0.000 0.000 0.257 239 A C -2.050 175.535 177.584 0.002 0.000 1.087 239 A CA -1.335 50.703 52.037 0.002 0.000 0.798 239 A CB -0.080 18.920 19.000 0.000 0.000 1.033 239 A HN 0.566 nan 8.150 nan 0.000 0.488 240 P HA 0.147 nan 4.420 nan 0.000 0.264 240 P C -2.202 175.099 177.300 0.001 0.000 1.183 240 P CA -0.299 62.802 63.100 0.002 0.000 0.763 240 P CB -0.088 31.613 31.700 0.002 0.000 0.807 241 P HA 0.204 nan 4.420 nan 0.000 0.272 241 P C -0.700 176.601 177.300 0.001 0.000 1.223 241 P CA 0.199 63.300 63.100 0.002 0.000 0.784 241 P CB 0.904 32.605 31.700 0.003 0.000 0.923 242 I N 2.497 123.068 120.570 0.001 0.000 2.464 242 I HA 0.208 4.378 4.170 -0.000 0.000 0.277 242 I C 0.020 176.139 176.117 0.002 0.000 1.040 242 I CA -0.636 60.664 61.300 0.001 0.000 1.153 242 I CB 0.760 38.760 38.000 -0.001 0.000 1.274 242 I HN 0.171 nan 8.210 nan 0.000 0.469 243 N N 5.756 124.459 118.700 0.004 0.000 2.479 243 N HA 0.381 5.121 4.740 -0.000 0.000 0.285 243 N C -0.632 174.883 175.510 0.009 0.000 1.075 243 N CA -0.345 52.708 53.050 0.006 0.000 0.967 243 N CB 2.843 41.334 38.487 0.007 0.000 1.137 243 N HN 0.161 nan 8.380 nan 0.000 0.472 244 V N 1.897 121.817 119.914 0.010 0.000 2.349 244 V HA 0.340 4.460 4.120 -0.000 0.000 0.284 244 V C 0.038 176.143 176.094 0.019 0.000 1.014 244 V CA -0.636 61.674 62.300 0.017 0.000 0.826 244 V CB 1.094 32.929 31.823 0.019 0.000 1.009 244 V HN 0.790 nan 8.190 nan 0.000 0.431 245 T N 1.891 116.457 114.554 0.020 0.000 2.885 245 T HA 0.630 4.980 4.350 -0.000 0.000 0.285 245 T C -0.502 174.211 174.700 0.022 0.000 1.019 245 T CA -0.769 61.342 62.100 0.018 0.000 1.010 245 T CB 2.239 71.115 68.868 0.013 0.000 1.022 245 T HN 0.500 nan 8.240 nan 0.000 0.466 246 Q N 1.879 121.690 119.800 0.019 0.000 2.965 246 Q HA 0.244 4.583 4.340 -0.000 0.000 0.288 246 Q C -1.958 174.044 176.000 0.004 0.000 0.974 246 Q CA -1.925 53.887 55.803 0.016 0.000 0.849 246 Q CB 1.261 30.010 28.738 0.018 0.000 1.280 246 Q HN 0.568 nan 8.270 nan 0.000 0.441 247 P HA -0.199 nan 4.420 nan 0.000 0.217 247 P C 0.113 177.411 177.300 -0.004 0.000 1.148 247 P CA 1.352 64.453 63.100 0.001 0.000 0.828 247 P CB 0.334 32.037 31.700 0.004 0.000 0.783 248 E N -1.052 119.144 120.200 -0.007 0.000 2.499 248 E HA 0.366 4.716 4.350 -0.000 0.000 0.199 248 E C 0.835 177.418 176.600 -0.028 0.000 1.016 248 E CA 0.013 56.405 56.400 -0.013 0.000 0.933 248 E CB 0.178 29.872 29.700 -0.009 0.000 1.050 248 E HN 0.154 nan 8.360 nan 0.000 0.462 249 G N 0.832 109.611 108.800 -0.035 0.000 2.582 249 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.222 249 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.222 249 G C -0.318 174.524 174.900 -0.097 0.000 1.311 249 G CA -0.526 44.532 45.100 -0.069 0.000 0.915 249 G HN 0.398 nan 8.290 nan 0.000 0.528 250 V N -2.686 117.108 119.914 -0.199 0.000 2.994 250 V HA 0.877 4.997 4.120 -0.000 0.000 0.318 250 V C 1.422 177.378 176.094 -0.230 0.000 1.085 250 V CA 0.835 62.965 62.300 -0.283 0.000 0.998 250 V CB 1.474 32.852 31.823 -0.742 0.000 1.063 250 V HN 2.272 nan 8.190 nan 0.000 0.447 251 S N 1.709 117.373 115.700 -0.062 0.000 2.478 251 S HA 0.132 4.602 4.470 -0.000 0.000 0.222 251 S C 0.658 175.346 174.600 0.146 0.000 1.008 251 S CA 0.283 58.517 58.200 0.057 0.000 0.928 251 S CB -0.696 62.592 63.200 0.146 0.000 0.781 251 S HN 1.089 nan 8.310 nan 0.000 0.518 252 F N 1.706 121.811 119.950 0.258 0.000 2.406 252 F HA 0.698 5.225 4.527 -0.000 0.000 0.327 252 F C -0.025 175.803 175.800 0.047 0.000 1.153 252 F CA -1.348 56.777 58.000 0.208 0.000 1.218 252 F CB 0.544 39.629 39.000 0.141 0.000 1.215 252 F HN -0.034 nan 8.300 nan 0.000 0.570 253 K N 3.548 124.129 120.400 0.300 0.000 2.545 253 K HA 0.365 4.685 4.320 -0.000 0.000 0.252 253 K C -1.514 175.128 176.600 0.070 0.000 0.948 253 K CA -0.759 55.606 56.287 0.131 0.000 0.827 253 K CB 1.010 33.541 32.500 0.051 0.000 1.128 253 K HN 0.712 nan 8.250 nan 0.000 0.429 254 M N 2.967 122.587 119.600 0.034 0.000 2.157 254 M HA 0.231 4.711 4.480 -0.000 0.000 0.354 254 M C -0.699 175.574 176.300 -0.044 0.000 1.170 254 M CA -0.247 54.979 55.300 -0.124 0.000 1.060 254 M CB 1.369 33.733 32.600 -0.393 0.000 1.615 254 M HN 0.526 nan 8.290 nan 0.000 0.460 255 T N 2.801 117.321 114.554 -0.057 0.000 3.064 255 T HA 0.566 4.916 4.350 -0.000 0.000 0.367 255 T C 0.745 175.446 174.700 0.001 0.000 1.202 255 T CA 0.223 62.324 62.100 0.001 0.000 1.133 255 T CB 0.876 69.754 68.868 0.017 0.000 1.074 255 T HN 1.024 nan 8.240 nan 0.000 0.519 256 G N 4.086 112.899 108.800 0.022 0.000 2.543 256 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.286 256 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.286 256 G C 0.688 175.556 174.900 -0.053 0.000 1.153 256 G CA 0.045 45.160 45.100 0.026 0.000 0.968 256 G HN 0.549 nan 8.290 nan 0.000 0.544 257 N N 0.477 119.100 118.700 -0.129 0.000 2.236 257 N HA 0.225 4.965 4.740 -0.000 0.000 0.196 257 N C 0.420 175.655 175.510 -0.459 0.000 1.114 257 N CA 0.564 53.413 53.050 -0.335 0.000 0.859 257 N CB 1.003 39.170 38.487 -0.533 0.000 0.982 257 N HN 0.369 nan 8.380 nan 0.000 0.493 258 V N 2.400 122.149 119.914 -0.275 0.000 2.461 258 V HA 0.202 4.322 4.120 -0.000 0.000 0.275 258 V C 0.264 176.155 176.094 -0.339 0.000 1.047 258 V CA -0.407 61.740 62.300 -0.254 0.000 0.955 258 V CB 1.211 33.009 31.823 -0.040 0.000 0.988 258 V HN 0.108 nan 8.190 nan 0.000 0.471 259 M N 5.343 124.597 119.600 -0.576 0.000 2.404 259 M HA 0.545 5.025 4.480 -0.000 0.000 0.338 259 M C -0.634 175.382 176.300 -0.473 0.000 1.150 259 M CA 0.169 55.061 55.300 -0.680 0.000 1.016 259 M CB 1.530 33.347 32.600 -1.304 0.000 1.672 259 M HN 0.639 nan 8.290 nan 0.000 0.448 260 E N 3.521 123.600 120.200 -0.203 0.000 2.265 260 E HA 0.442 4.792 4.350 -0.000 0.000 0.262 260 E C -2.310 174.389 176.600 0.166 0.000 0.889 260 E CA -0.251 56.135 56.400 -0.023 0.000 0.789 260 E CB 1.653 31.347 29.700 -0.011 0.000 1.221 260 E HN 0.763 nan 8.360 nan 0.000 0.414 261 W N 2.633 123.936 121.300 0.004 0.000 3.624 261 W HA 0.209 4.869 4.660 -0.000 0.000 0.312 261 W C -0.221 176.392 176.519 0.157 0.000 1.203 261 W CA -0.412 56.989 57.345 0.095 0.000 1.225 261 W CB 1.544 31.066 29.460 0.104 0.000 1.321 261 W HN 0.428 nan 8.180 nan 0.000 0.506 262 S N 5.014 120.335 115.700 -0.631 0.000 3.491 262 S HA -0.324 4.146 4.470 -0.000 0.000 0.371 262 S C 0.798 175.134 174.600 -0.441 0.000 0.980 262 S CA 1.960 59.739 58.200 -0.701 0.000 1.204 262 S CB -1.378 61.009 63.200 -1.356 0.000 0.915 262 S HN 0.985 nan 8.310 nan 0.000 0.482 263 N N -2.516 115.939 118.700 -0.408 0.000 2.972 263 N HA -0.175 4.565 4.740 -0.000 0.000 0.225 263 N C -0.263 174.911 175.510 -0.559 0.000 0.883 263 N CA 1.655 54.312 53.050 -0.655 0.000 1.010 263 N CB -1.474 36.235 38.487 -1.296 0.000 1.052 263 N HN 0.557 nan 8.380 nan 0.000 0.598 264 F N 1.639 121.523 119.950 -0.109 0.000 2.384 264 F HA 0.439 4.966 4.527 -0.000 0.000 0.338 264 F C 0.951 176.815 175.800 0.108 0.000 1.103 264 F CA 0.124 58.216 58.000 0.153 0.000 1.157 264 F CB 1.085 40.326 39.000 0.402 0.000 1.167 264 F HN -0.220 nan 8.300 nan 0.000 0.529 265 K N 5.116 125.748 120.400 0.386 0.000 2.507 265 K HA 0.538 4.858 4.320 -0.000 0.000 0.251 265 K C -1.766 175.014 176.600 0.299 0.000 0.943 265 K CA -0.459 55.933 56.287 0.176 0.000 0.794 265 K CB 1.584 34.147 32.500 0.104 0.000 1.188 265 K HN 0.556 nan 8.250 nan 0.000 0.428 266 F N -0.154 119.801 119.950 0.008 0.000 2.741 266 F HA 0.408 4.934 4.527 -0.000 0.000 0.313 266 F C -1.336 174.444 175.800 -0.034 0.000 1.153 266 F CA -1.172 56.832 58.000 0.006 0.000 0.931 266 F CB 1.003 39.974 39.000 -0.048 0.000 1.335 266 F HN 0.391 nan 8.300 nan 0.000 0.460 267 H N 2.711 121.841 119.070 0.099 0.000 2.488 267 H HA 0.516 5.072 4.556 -0.000 0.000 0.322 267 H C -1.098 174.220 175.328 -0.017 0.000 1.078 267 H CA -0.573 55.414 56.048 -0.102 0.000 1.260 267 H CB 1.336 30.954 29.762 -0.240 0.000 1.425 267 H HN 0.726 nan 8.280 nan 0.000 0.471 268 I N 5.639 125.904 120.570 -0.508 0.000 2.291 268 I HA 0.220 4.390 4.170 -0.000 0.000 0.290 268 I C 1.009 176.949 176.117 -0.294 0.000 1.050 268 I CA -0.271 60.882 61.300 -0.245 0.000 1.245 268 I CB 0.973 38.855 38.000 -0.198 0.000 1.405 268 I HN 0.542 nan 8.210 nan 0.000 0.478 269 G N 5.376 114.182 108.800 0.009 0.000 2.705 269 G HA2 0.740 4.699 3.960 -0.000 0.000 0.299 269 G HA3 0.740 4.699 3.960 -0.000 0.000 0.299 269 G C -1.563 173.470 174.900 0.222 0.000 1.315 269 G CA -0.388 44.810 45.100 0.164 0.000 1.045 269 G HN 0.405 nan 8.290 nan 0.000 0.517 270 F N 0.571 120.548 119.950 0.045 0.000 2.669 270 F HA 0.435 4.962 4.527 -0.000 0.000 0.315 270 F C -1.338 174.533 175.800 0.118 0.000 1.109 270 F CA -0.940 57.093 58.000 0.055 0.000 1.028 270 F CB 1.861 40.888 39.000 0.046 0.000 1.287 270 F HN 0.807 nan 8.300 nan 0.000 0.452 271 N N 2.658 121.178 118.700 -0.300 0.000 2.525 271 N HA 0.254 4.994 4.740 -0.000 0.000 0.270 271 N C 0.243 175.610 175.510 -0.238 0.000 1.321 271 N CA -0.503 52.541 53.050 -0.009 0.000 0.797 271 N CB 0.484 39.017 38.487 0.077 0.000 1.529 271 N HN 0.536 nan 8.380 nan 0.000 0.491 272 Y N -0.656 119.494 120.300 -0.251 0.000 2.283 272 Y HA -0.106 4.444 4.550 -0.000 0.000 0.285 272 Y C 2.043 177.451 175.900 -0.820 0.000 1.176 272 Y CA 1.629 59.172 58.100 -0.929 0.000 1.229 272 Y CB -0.435 37.115 38.460 -1.516 0.000 0.975 272 Y HN 0.678 nan 8.280 nan 0.000 0.537 273 R N 0.353 119.923 120.500 -1.549 0.000 2.056 273 R HA 0.048 4.388 4.340 -0.000 0.000 0.215 273 R C 2.052 177.918 176.300 -0.724 0.000 1.205 273 R CA 1.061 56.395 56.100 -1.276 0.000 1.020 273 R CB -0.030 29.293 30.300 -1.628 0.000 0.911 273 R HN 0.443 nan 8.270 nan 0.000 0.451 274 E N -0.243 119.633 120.200 -0.540 0.000 2.285 274 E HA 0.126 4.476 4.350 -0.000 0.000 0.194 274 E C 0.890 177.280 176.600 -0.351 0.000 0.997 274 E CA 0.421 56.631 56.400 -0.317 0.000 0.845 274 E CB 0.352 29.956 29.700 -0.160 0.000 0.782 274 E HN 0.575 nan 8.360 nan 0.000 0.491 275 G N 1.838 110.261 108.800 -0.628 0.000 2.527 275 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.262 275 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.262 275 G C 0.032 174.469 174.900 -0.771 0.000 1.153 275 G CA -0.226 44.345 45.100 -0.880 0.000 0.954 275 G HN 0.174 nan 8.290 nan 0.000 0.552 276 I N 1.147 121.655 120.570 -0.104 0.000 2.648 276 I HA 0.354 4.524 4.170 -0.000 0.000 0.284 276 I C 0.279 176.290 176.117 -0.177 0.000 1.153 276 I CA 0.064 61.402 61.300 0.063 0.000 1.426 276 I CB 0.932 39.041 38.000 0.180 0.000 1.381 276 I HN 0.328 nan 8.210 nan 0.000 0.571 277 V N 7.855 127.664 119.914 -0.177 0.000 2.447 277 V HA 0.326 4.446 4.120 -0.000 0.000 0.292 277 V C -0.117 175.835 176.094 -0.237 0.000 1.021 277 V CA -0.532 61.618 62.300 -0.249 0.000 0.850 277 V CB 1.518 33.252 31.823 -0.149 0.000 1.005 277 V HN 0.444 nan 8.190 nan 0.000 0.426 278 L N 4.123 125.106 121.223 -0.400 0.000 2.265 278 L HA 0.652 4.992 4.340 -0.000 0.000 0.288 278 L C 0.303 177.064 176.870 -0.182 0.000 1.058 278 L CA 0.231 54.914 54.840 -0.261 0.000 0.809 278 L CB 1.420 43.214 42.059 -0.441 0.000 1.179 278 L HN 0.605 nan 8.230 nan 0.000 0.429 279 S N 0.640 116.316 115.700 -0.039 0.000 2.671 279 S HA 0.280 4.750 4.470 -0.000 0.000 0.299 279 S C -0.454 174.161 174.600 0.025 0.000 1.116 279 S CA -0.608 57.516 58.200 -0.126 0.000 0.912 279 S CB 1.704 64.748 63.200 -0.260 0.000 1.130 279 S HN 0.765 nan 8.310 nan 0.000 0.501 280 D N 1.002 121.377 120.400 -0.041 0.000 2.740 280 D HA -0.147 4.493 4.640 -0.000 0.000 0.231 280 D C -0.660 175.789 176.300 0.248 0.000 1.194 280 D CA 0.360 54.468 54.000 0.181 0.000 0.673 280 D CB -1.194 39.791 40.800 0.309 0.000 0.995 280 D HN 0.229 nan 8.370 nan 0.000 0.411 281 V N 1.084 121.128 119.914 0.217 0.000 2.498 281 V HA 0.596 4.716 4.120 -0.000 0.000 0.279 281 V C 0.872 177.104 176.094 0.230 0.000 1.048 281 V CA 0.312 62.772 62.300 0.268 0.000 0.967 281 V CB 1.495 33.448 31.823 0.216 0.000 0.988 281 V HN 0.525 nan 8.190 nan 0.000 0.473 282 S N 4.266 120.152 115.700 0.311 0.000 2.607 282 S HA 0.739 5.209 4.470 -0.000 0.000 0.273 282 S C -1.438 173.361 174.600 0.331 0.000 1.148 282 S CA -0.796 57.561 58.200 0.261 0.000 0.833 282 S CB 1.950 65.269 63.200 0.199 0.000 1.130 282 S HN 0.612 nan 8.310 nan 0.000 0.470 283 Y N 1.858 122.234 120.300 0.128 0.000 2.361 283 Y HA 0.541 5.091 4.550 -0.000 0.000 0.337 283 Y C -0.465 175.471 175.900 0.060 0.000 0.965 283 Y CA -0.772 57.340 58.100 0.021 0.000 1.091 283 Y CB 1.602 40.043 38.460 -0.032 0.000 1.182 283 Y HN 0.864 nan 8.280 nan 0.000 0.450 284 N N 4.837 123.277 118.700 -0.434 0.000 2.508 284 N HA 0.012 4.751 4.740 -0.000 0.000 0.253 284 N C -1.133 174.266 175.510 -0.184 0.000 1.145 284 N CA 0.106 53.011 53.050 -0.241 0.000 0.973 284 N CB 0.079 38.399 38.487 -0.278 0.000 1.305 284 N HN 0.653 nan 8.380 nan 0.000 0.506 285 D N 2.524 123.029 120.400 0.175 0.000 2.517 285 D HA 0.063 4.703 4.640 -0.000 0.000 0.220 285 D C -0.405 175.978 176.300 0.139 0.000 1.158 285 D CA -0.086 54.089 54.000 0.291 0.000 0.992 285 D CB -0.771 40.290 40.800 0.435 0.000 1.058 285 D HN 0.549 nan 8.370 nan 0.000 0.516 286 H N 1.602 120.716 119.070 0.074 0.000 2.506 286 H HA -0.200 4.356 4.556 -0.000 0.000 0.323 286 H C 1.499 176.835 175.328 0.013 0.000 1.076 286 H CA 1.013 57.076 56.048 0.025 0.000 1.108 286 H CB -0.986 28.794 29.762 0.029 0.000 1.569 286 H HN 0.681 nan 8.280 nan 0.000 0.399 287 G N 0.064 108.893 108.800 0.048 0.000 2.284 287 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.230 287 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.230 287 G C 0.309 175.227 174.900 0.031 0.000 1.021 287 G CA 0.087 45.207 45.100 0.034 0.000 0.619 287 G HN 0.757 nan 8.290 nan 0.000 0.510 288 N N 0.890 119.624 118.700 0.056 0.000 2.521 288 N HA 0.407 5.147 4.740 -0.000 0.000 0.236 288 N C 0.144 175.692 175.510 0.063 0.000 1.067 288 N CA -0.345 52.733 53.050 0.047 0.000 0.939 288 N CB 0.637 39.153 38.487 0.047 0.000 1.201 288 N HN 0.078 nan 8.380 nan 0.000 0.511 289 V N 4.665 124.604 119.914 0.042 0.000 2.403 289 V HA 0.117 4.237 4.120 -0.000 0.000 0.265 289 V C 0.495 176.640 176.094 0.085 0.000 1.034 289 V CA 0.068 62.403 62.300 0.059 0.000 1.036 289 V CB -0.212 31.632 31.823 0.034 0.000 1.032 289 V HN 0.583 nan 8.190 nan 0.000 0.478 290 R N 5.832 126.423 120.500 0.151 0.000 2.338 290 R HA 0.445 4.785 4.340 -0.000 0.000 0.317 290 R C -2.762 173.666 176.300 0.213 0.000 0.968 290 R CA -1.872 54.328 56.100 0.166 0.000 0.849 290 R CB 1.506 31.912 30.300 0.176 0.000 1.128 290 R HN 0.396 nan 8.270 nan 0.000 0.448 291 P HA 0.106 nan 4.420 nan 0.000 0.271 291 P C -0.089 177.253 177.300 0.070 0.000 1.218 291 P CA 0.144 63.316 63.100 0.119 0.000 0.780 291 P CB 0.877 32.634 31.700 0.095 0.000 0.901 292 I N 0.384 120.894 120.570 -0.100 0.000 3.623 292 I HA 0.201 4.371 4.170 -0.000 0.000 0.253 292 I C -0.041 175.711 176.117 -0.609 0.000 1.144 292 I CA 0.461 61.430 61.300 -0.551 0.000 1.461 292 I CB 0.207 37.642 38.000 -0.942 0.000 1.575 292 I HN 0.131 nan 8.210 nan 0.000 0.445 293 F N -0.090 119.817 119.950 -0.072 0.000 2.551 293 F HA 0.359 4.886 4.527 -0.000 0.000 0.316 293 F C 1.018 176.820 175.800 0.003 0.000 1.089 293 F CA -0.934 57.023 58.000 -0.072 0.000 0.915 293 F CB 0.793 39.700 39.000 -0.155 0.000 1.186 293 F HN -0.019 nan 8.300 nan 0.000 0.456 294 H N 1.454 120.600 119.070 0.126 0.000 2.431 294 H HA 0.302 4.858 4.556 -0.000 0.000 0.295 294 H C 0.110 175.424 175.328 -0.024 0.000 1.038 294 H CA 0.796 56.863 56.048 0.032 0.000 1.360 294 H CB 0.587 30.326 29.762 -0.037 0.000 1.433 294 H HN 0.577 nan 8.280 nan 0.000 0.536 295 R N 0.458 120.857 120.500 -0.169 0.000 2.594 295 R HA 0.420 4.760 4.340 -0.000 0.000 0.265 295 R C -2.121 174.016 176.300 -0.272 0.000 1.070 295 R CA -0.541 55.390 56.100 -0.282 0.000 0.909 295 R CB 2.098 32.210 30.300 -0.314 0.000 1.243 295 R HN 0.236 nan 8.270 nan 0.000 0.455 296 I N 2.405 122.772 120.570 -0.339 0.000 2.692 296 I HA 0.607 4.776 4.170 -0.000 0.000 0.293 296 I C -1.616 174.225 176.117 -0.460 0.000 1.200 296 I CA -0.069 60.985 61.300 -0.410 0.000 1.036 296 I CB 2.127 39.827 38.000 -0.501 0.000 1.258 296 I HN 0.943 nan 8.210 nan 0.000 0.421 297 S N 6.078 121.617 115.700 -0.268 0.000 2.656 297 S HA 0.452 4.921 4.470 -0.000 0.000 0.265 297 S C -1.806 172.892 174.600 0.163 0.000 1.110 297 S CA -1.065 57.062 58.200 -0.122 0.000 0.821 297 S CB 0.867 63.963 63.200 -0.173 0.000 1.099 297 S HN 0.624 nan 8.310 nan 0.000 0.471 298 L N 2.846 124.225 121.223 0.260 0.000 2.260 298 L HA 0.451 4.791 4.340 -0.000 0.000 0.289 298 L C 1.395 178.316 176.870 0.086 0.000 1.057 298 L CA -0.097 54.869 54.840 0.210 0.000 0.811 298 L CB 1.574 43.784 42.059 0.252 0.000 1.184 298 L HN 1.010 nan 8.230 nan 0.000 0.429 299 S N 1.102 116.836 115.700 0.057 0.000 2.524 299 S HA 0.166 4.636 4.470 -0.000 0.000 0.216 299 S C 0.338 174.948 174.600 0.016 0.000 0.987 299 S CA -0.090 58.168 58.200 0.096 0.000 0.909 299 S CB 0.382 63.689 63.200 0.179 0.000 0.781 299 S HN 0.690 nan 8.310 nan 0.000 0.521 300 E N -0.170 119.938 120.200 -0.152 0.000 2.393 300 E HA 0.531 4.881 4.350 -0.000 0.000 0.278 300 E C -1.528 174.913 176.600 -0.266 0.000 1.171 300 E CA -0.527 55.729 56.400 -0.241 0.000 0.904 300 E CB 0.844 30.321 29.700 -0.371 0.000 1.309 300 E HN 0.451 nan 8.360 nan 0.000 0.423 301 M N 1.159 120.706 119.600 -0.088 0.000 2.773 301 M HA 0.709 5.189 4.480 -0.000 0.000 0.270 301 M C -1.518 174.877 176.300 0.159 0.000 1.238 301 M CA -1.047 54.245 55.300 -0.012 0.000 0.832 301 M CB 2.057 34.488 32.600 -0.282 0.000 1.672 301 M HN 0.572 nan 8.290 nan 0.000 0.480 302 I N 1.299 121.913 120.570 0.073 0.000 2.743 302 I HA 0.548 4.717 4.170 -0.000 0.000 0.292 302 I C -1.877 174.199 176.117 -0.068 0.000 1.343 302 I CA -0.774 60.550 61.300 0.041 0.000 1.038 302 I CB 2.432 40.464 38.000 0.053 0.000 1.311 302 I HN 0.622 nan 8.210 nan 0.000 0.426 303 V N 8.781 128.689 119.914 -0.010 0.000 2.225 303 V HA 0.345 4.465 4.120 -0.000 0.000 0.264 303 V C -2.246 173.877 176.094 0.048 0.000 1.067 303 V CA -1.277 60.983 62.300 -0.067 0.000 0.903 303 V CB 0.786 32.596 31.823 -0.021 0.000 1.136 303 V HN 0.523 nan 8.190 nan 0.000 0.456 304 P HA 0.196 nan 4.420 nan 0.000 0.276 304 P C -0.914 176.380 177.300 -0.010 0.000 1.253 304 P CA -0.067 63.074 63.100 0.069 0.000 0.766 304 P CB 0.639 32.317 31.700 -0.037 0.000 0.845 305 Y N 1.494 121.863 120.300 0.115 0.000 2.307 305 Y HA 0.402 4.952 4.550 -0.000 0.000 0.324 305 Y C 1.959 177.863 175.900 0.008 0.000 1.238 305 Y CA 0.486 58.653 58.100 0.112 0.000 1.280 305 Y CB 0.818 39.351 38.460 0.122 0.000 1.248 305 Y HN 0.466 nan 8.280 nan 0.000 0.508 306 G N 0.586 109.441 108.800 0.091 0.000 3.707 306 G HA2 0.067 4.026 3.960 -0.000 0.000 0.286 306 G HA3 0.067 4.026 3.960 -0.000 0.000 0.286 306 G C -0.188 174.628 174.900 -0.140 0.000 1.112 306 G CA -0.194 44.901 45.100 -0.009 0.000 0.861 306 G HN 0.442 nan 8.290 nan 0.000 0.534 307 S N 1.301 116.858 115.700 -0.237 0.000 2.438 307 S HA 0.455 4.925 4.470 -0.000 0.000 0.293 307 S C -0.706 173.613 174.600 -0.469 0.000 1.141 307 S CA -1.452 56.452 58.200 -0.494 0.000 1.080 307 S CB 1.824 64.538 63.200 -0.810 0.000 0.978 307 S HN 0.102 nan 8.310 nan 0.000 0.479 308 P HA 0.013 nan 4.420 nan 0.000 0.229 308 P C -0.215 176.951 177.300 -0.224 0.000 1.160 308 P CA 0.366 63.199 63.100 -0.446 0.000 0.777 308 P CB 0.094 31.450 31.700 -0.573 0.000 0.814 309 E N 0.020 120.123 120.200 -0.163 0.000 2.384 309 E HA 0.123 4.473 4.350 -0.000 0.000 0.266 309 E C -0.297 176.237 176.600 -0.110 0.000 1.012 309 E CA -0.662 55.717 56.400 -0.035 0.000 0.901 309 E CB 0.193 29.933 29.700 0.067 0.000 0.967 309 E HN 0.052 nan 8.360 nan 0.000 0.435 310 F N 5.335 125.153 119.950 -0.220 0.000 2.529 310 F HA 0.090 4.617 4.527 -0.000 0.000 0.365 310 F C -1.347 174.167 175.800 -0.476 0.000 1.102 310 F CA -1.545 56.293 58.000 -0.270 0.000 1.271 310 F CB 0.856 39.763 39.000 -0.155 0.000 1.120 310 F HN 0.353 nan 8.300 nan 0.000 0.579 311 P HA 0.125 nan 4.420 nan 0.000 0.248 311 P C -0.117 176.726 177.300 -0.761 0.000 1.708 311 P CA 0.293 62.599 63.100 -1.323 0.000 1.062 311 P CB -0.414 30.602 31.700 -1.139 0.000 1.562 312 H N 0.236 119.070 119.070 -0.394 0.000 2.561 312 H HA -0.095 4.461 4.556 -0.000 0.000 0.278 312 H C 1.532 176.751 175.328 -0.181 0.000 1.014 312 H CA 0.720 56.591 56.048 -0.295 0.000 1.211 312 H CB -0.142 29.447 29.762 -0.290 0.000 1.365 312 H HN 0.258 nan 8.280 nan 0.000 0.594 313 Q N 0.603 120.333 119.800 -0.118 0.000 2.291 313 Q HA -0.033 4.307 4.340 -0.000 0.000 0.205 313 Q C 1.445 177.517 176.000 0.120 0.000 0.970 313 Q CA 0.767 56.553 55.803 -0.028 0.000 0.876 313 Q CB -0.025 28.674 28.738 -0.065 0.000 0.935 313 Q HN 0.376 nan 8.270 nan 0.000 0.455 314 R N 0.929 121.440 120.500 0.018 0.000 2.323 314 R HA 0.087 4.427 4.340 -0.000 0.000 0.198 314 R C -0.068 176.311 176.300 0.132 0.000 0.988 314 R CA 0.278 56.435 56.100 0.096 0.000 1.041 314 R CB 0.115 30.373 30.300 -0.069 0.000 0.926 314 R HN 0.151 nan 8.270 nan 0.000 0.476 315 K N 1.944 122.459 120.400 0.192 0.000 2.290 315 K HA 0.084 4.403 4.320 -0.000 0.000 0.250 315 K C -0.435 176.491 176.600 0.544 0.000 1.092 315 K CA -0.110 56.341 56.287 0.272 0.000 1.006 315 K CB 0.481 32.937 32.500 -0.073 0.000 1.549 315 K HN 0.288 nan 8.250 nan 0.000 0.436 316 H N 0.117 119.421 119.070 0.391 0.000 3.225 316 H HA 0.193 4.749 4.556 -0.000 0.000 0.205 316 H C -0.849 174.599 175.328 0.201 0.000 1.314 316 H CA -0.690 55.512 56.048 0.257 0.000 1.336 316 H CB -0.703 29.128 29.762 0.116 0.000 2.276 316 H HN 0.342 nan 8.280 nan 0.000 0.535 317 A N 1.825 124.732 122.820 0.144 0.000 2.498 317 A HA 0.387 4.707 4.320 -0.000 0.000 0.239 317 A C 0.115 177.695 177.584 -0.007 0.000 1.068 317 A CA -0.271 51.758 52.037 -0.013 0.000 0.766 317 A CB 0.262 19.202 19.000 -0.100 0.000 1.003 317 A HN 0.462 nan 8.150 nan 0.000 0.497 318 L N 3.141 124.322 121.223 -0.069 0.000 2.426 318 L HA 0.234 4.574 4.340 -0.000 0.000 0.255 318 L C 0.596 177.392 176.870 -0.124 0.000 1.080 318 L CA -0.093 54.728 54.840 -0.031 0.000 0.960 318 L CB 0.805 42.882 42.059 0.030 0.000 1.326 318 L HN 0.752 nan 8.230 nan 0.000 0.441 319 D N 1.294 121.658 120.400 -0.059 0.000 2.149 319 D HA -0.234 4.406 4.640 -0.000 0.000 0.194 319 D C 1.989 178.219 176.300 -0.116 0.000 1.001 319 D CA 1.734 55.752 54.000 0.030 0.000 0.849 319 D CB 0.372 41.225 40.800 0.089 0.000 0.939 319 D HN 0.496 nan 8.370 nan 0.000 0.449 320 I N 0.724 121.179 120.570 -0.192 0.000 2.202 320 I HA -0.139 4.031 4.170 -0.000 0.000 0.242 320 I C 2.558 178.477 176.117 -0.330 0.000 1.091 320 I CA 1.348 62.471 61.300 -0.294 0.000 1.368 320 I CB -0.384 37.467 38.000 -0.249 0.000 1.058 320 I HN 0.004 nan 8.210 nan 0.000 0.410 321 G N -0.180 108.459 108.800 -0.268 0.000 2.511 321 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.217 321 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.217 321 G C 1.395 176.150 174.900 -0.241 0.000 1.133 321 G CA 0.201 45.132 45.100 -0.283 0.000 0.792 321 G HN 0.411 nan 8.290 nan 0.000 0.539 322 E N -1.519 118.496 120.200 -0.309 0.000 2.473 322 E HA 0.170 4.520 4.350 -0.000 0.000 0.204 322 E C 0.734 177.011 176.600 -0.538 0.000 0.994 322 E CA 0.122 56.250 56.400 -0.454 0.000 0.945 322 E CB 0.437 29.744 29.700 -0.655 0.000 0.990 322 E HN 0.545 nan 8.360 nan 0.000 0.493 323 Y N -0.388 119.867 120.300 -0.076 0.000 2.731 323 Y HA 0.342 4.891 4.550 -0.000 0.000 0.269 323 Y C 0.783 176.661 175.900 -0.037 0.000 1.156 323 Y CA 0.264 58.343 58.100 -0.036 0.000 1.191 323 Y CB 1.013 39.432 38.460 -0.068 0.000 1.382 323 Y HN -0.044 nan 8.280 nan 0.000 0.477 324 G N 0.753 109.500 108.800 -0.088 0.000 3.421 324 G HA2 0.166 4.126 3.960 -0.000 0.000 0.686 324 G HA3 0.166 4.126 3.960 -0.000 0.000 0.686 324 G C 0.579 175.206 174.900 -0.455 0.000 1.056 324 G CA -0.266 44.631 45.100 -0.339 0.000 0.891 324 G HN 0.655 nan 8.290 nan 0.000 0.514 325 A N 1.230 123.642 122.820 -0.681 0.000 2.121 325 A HA 0.362 4.682 4.320 -0.000 0.000 0.218 325 A C 2.510 179.844 177.584 -0.416 0.000 1.154 325 A CA 2.388 53.856 52.037 -0.949 0.000 0.679 325 A CB -0.282 18.218 19.000 -0.832 0.000 0.795 325 A HN 2.123 nan 8.150 nan 0.000 0.458 326 G N -1.485 107.080 108.800 -0.393 0.000 2.439 326 G HA2 -0.053 3.907 3.960 -0.000 0.000 0.212 326 G HA3 -0.053 3.907 3.960 -0.000 0.000 0.212 326 G C 1.359 176.355 174.900 0.161 0.000 1.199 326 G CA 0.765 45.810 45.100 -0.091 0.000 0.807 326 G HN 0.405 nan 8.290 nan 0.000 0.537 327 Y N 0.791 120.924 120.300 -0.279 0.000 2.241 327 Y HA 0.011 4.561 4.550 -0.000 0.000 0.286 327 Y C 2.790 178.716 175.900 0.044 0.000 1.166 327 Y CA 0.736 58.698 58.100 -0.230 0.000 1.203 327 Y CB -0.309 38.020 38.460 -0.219 0.000 0.977 327 Y HN 0.145 nan 8.280 nan 0.000 0.529 328 M N -1.277 118.438 119.600 0.191 0.000 2.495 328 M HA 0.036 4.515 4.480 -0.000 0.000 0.237 328 M C 0.752 177.240 176.300 0.315 0.000 1.131 328 M CA 0.143 55.571 55.300 0.214 0.000 1.032 328 M CB 0.012 32.723 32.600 0.185 0.000 1.513 328 M HN -0.154 nan 8.290 nan 0.000 0.488 329 T N 2.145 116.912 114.554 0.356 0.000 2.940 329 T HA 0.076 4.426 4.350 -0.000 0.000 0.309 329 T C 0.185 175.058 174.700 0.288 0.000 1.056 329 T CA -0.013 62.325 62.100 0.396 0.000 1.137 329 T CB 0.248 69.411 68.868 0.492 0.000 0.976 329 T HN 0.216 nan 8.240 nan 0.000 0.547 330 N N 5.030 123.873 118.700 0.239 0.000 2.529 330 N HA 0.318 5.058 4.740 -0.000 0.000 0.278 330 N C -2.633 172.941 175.510 0.106 0.000 1.146 330 N CA -1.731 51.412 53.050 0.156 0.000 0.980 330 N CB 0.839 39.402 38.487 0.126 0.000 1.124 330 N HN 0.346 nan 8.380 nan 0.000 0.458 331 P HA 0.134 nan 4.420 nan 0.000 0.275 331 P C 0.386 177.687 177.300 0.001 0.000 1.276 331 P CA -0.337 62.767 63.100 0.005 0.000 0.782 331 P CB 0.586 32.280 31.700 -0.010 0.000 0.851 332 L N 2.572 123.799 121.223 0.006 0.000 2.376 332 L HA -0.087 4.253 4.340 -0.000 0.000 0.219 332 L C 2.242 179.126 176.870 0.024 0.000 1.133 332 L CA 1.360 56.237 54.840 0.061 0.000 0.816 332 L CB -1.574 40.596 42.059 0.186 0.000 0.933 332 L HN 0.328 nan 8.230 nan 0.000 0.449 333 S N -0.243 115.368 115.700 -0.149 0.000 2.444 333 S HA -0.244 4.226 4.470 -0.000 0.000 0.225 333 S C 2.056 176.637 174.600 -0.032 0.000 1.042 333 S CA 1.775 59.867 58.200 -0.181 0.000 1.132 333 S CB -0.388 62.650 63.200 -0.270 0.000 1.099 333 S HN 0.336 nan 8.310 nan 0.000 0.417 334 L N 0.874 122.078 121.223 -0.032 0.000 1.963 334 L HA -0.160 4.180 4.340 -0.000 0.000 0.220 334 L C 2.797 179.679 176.870 0.020 0.000 1.076 334 L CA 1.602 56.442 54.840 -0.001 0.000 0.772 334 L CB -1.353 40.708 42.059 0.002 0.000 0.892 334 L HN 0.624 nan 8.230 nan 0.000 0.435 335 G N -1.159 107.657 108.800 0.027 0.000 2.605 335 G HA2 -0.313 3.646 3.960 -0.000 0.000 0.222 335 G HA3 -0.313 3.646 3.960 -0.000 0.000 0.222 335 G C 0.859 175.778 174.900 0.030 0.000 1.092 335 G CA 0.811 45.929 45.100 0.031 0.000 0.730 335 G HN 0.726 nan 8.290 nan 0.000 0.588 336 C N -0.640 118.683 119.300 0.038 0.000 4.533 336 C HA -0.148 4.312 4.460 -0.000 0.000 0.304 336 C C 1.100 176.110 174.990 0.033 0.000 1.316 336 C CA 0.078 59.116 59.018 0.033 0.000 2.053 336 C CB -2.632 25.120 27.740 0.019 0.000 1.242 336 C HN 0.646 nan 8.230 nan 0.000 0.758 337 D N -0.564 119.869 120.400 0.055 0.000 2.213 337 D HA 0.128 4.768 4.640 -0.000 0.000 0.205 337 D C 0.665 177.001 176.300 0.060 0.000 0.961 337 D CA 0.904 54.945 54.000 0.068 0.000 0.853 337 D CB 0.134 40.985 40.800 0.086 0.000 0.967 337 D HN 0.677 nan 8.370 nan 0.000 0.496 338 c N 1.796 120.414 118.600 0.031 0.000 2.291 338 c HA 0.416 4.986 4.570 -0.000 0.000 0.322 338 c C 0.030 174.024 174.090 -0.162 0.000 1.205 338 c CA -1.428 54.837 56.329 -0.107 0.000 1.495 338 c CB 0.042 42.514 42.510 -0.063 0.000 2.127 338 c HN 0.081 nan 8.230 nan 0.000 0.452 339 K N 2.285 122.541 120.400 -0.241 0.000 2.227 339 K HA 0.626 4.946 4.320 -0.000 0.000 0.280 339 K C 0.673 177.176 176.600 -0.161 0.000 1.041 339 K CA 0.778 56.976 56.287 -0.148 0.000 0.905 339 K CB 0.962 33.410 32.500 -0.086 0.000 1.068 339 K HN 1.076 nan 8.250 nan 0.000 0.470 340 G N 0.817 109.576 108.800 -0.068 0.000 2.342 340 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.220 340 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.220 340 G C -1.225 173.677 174.900 0.002 0.000 1.243 340 G CA -0.852 44.238 45.100 -0.018 0.000 1.083 340 G HN 0.384 nan 8.290 nan 0.000 0.500 341 V N 2.394 122.332 119.914 0.040 0.000 2.338 341 V HA 0.369 4.489 4.120 -0.000 0.000 0.255 341 V C 0.592 176.739 176.094 0.088 0.000 1.082 341 V CA -0.418 61.910 62.300 0.047 0.000 0.951 341 V CB 0.228 32.070 31.823 0.032 0.000 1.102 341 V HN 0.532 nan 8.190 nan 0.000 0.489 342 I N 3.909 124.484 120.570 0.008 0.000 2.577 342 I HA 0.420 4.590 4.170 -0.000 0.000 0.300 342 I C 0.172 176.235 176.117 -0.090 0.000 0.990 342 I CA -0.313 60.925 61.300 -0.104 0.000 1.283 342 I CB 1.041 38.762 38.000 -0.464 0.000 1.411 342 I HN 0.518 nan 8.210 nan 0.000 0.515 343 H N 5.170 124.131 119.070 -0.182 0.000 2.589 343 H HA 0.406 4.962 4.556 -0.000 0.000 0.335 343 H C -1.608 173.575 175.328 -0.242 0.000 1.019 343 H CA -0.324 55.677 56.048 -0.078 0.000 1.213 343 H CB 1.071 30.906 29.762 0.122 0.000 1.472 343 H HN 0.367 nan 8.280 nan 0.000 0.508 344 Y N 3.501 123.761 120.300 -0.067 0.000 2.488 344 Y HA 0.447 4.997 4.550 -0.000 0.000 0.325 344 Y C 0.045 175.940 175.900 -0.008 0.000 1.204 344 Y CA -0.760 57.333 58.100 -0.012 0.000 1.229 344 Y CB 1.682 40.104 38.460 -0.063 0.000 1.274 344 Y HN 0.400 nan 8.280 nan 0.000 0.493 345 L N 2.101 123.411 121.223 0.145 0.000 2.408 345 L HA 0.417 4.757 4.340 -0.000 0.000 0.268 345 L C -1.181 175.609 176.870 -0.133 0.000 0.986 345 L CA -0.953 53.887 54.840 0.000 0.000 0.820 345 L CB 2.009 44.039 42.059 -0.049 0.000 1.303 345 L HN 0.586 nan 8.230 nan 0.000 0.411 346 D N 1.432 121.715 120.400 -0.194 0.000 2.340 346 D HA 0.672 5.312 4.640 -0.000 0.000 0.251 346 D C -0.317 175.632 176.300 -0.585 0.000 1.080 346 D CA -0.150 53.642 54.000 -0.347 0.000 0.971 346 D CB 2.158 42.774 40.800 -0.305 0.000 1.137 346 D HN 0.560 nan 8.370 nan 0.000 0.475 347 A N 0.831 123.215 122.820 -0.727 0.000 2.365 347 A HA 0.588 4.908 4.320 -0.000 0.000 0.318 347 A C -1.074 175.874 177.584 -1.061 0.000 1.091 347 A CA -0.662 50.888 52.037 -0.812 0.000 0.763 347 A CB 1.104 19.700 19.000 -0.674 0.000 1.248 347 A HN 0.546 nan 8.150 nan 0.000 0.442 348 H N 1.323 120.096 119.070 -0.496 0.000 2.609 348 H HA 0.653 5.209 4.556 -0.000 0.000 0.344 348 H C -1.344 173.796 175.328 -0.313 0.000 1.040 348 H CA -0.229 55.588 56.048 -0.385 0.000 1.216 348 H CB 1.191 30.879 29.762 -0.124 0.000 1.529 348 H HN 0.534 nan 8.280 nan 0.000 0.519 349 F N -0.091 120.026 119.950 0.279 0.000 2.814 349 F HA 0.503 5.030 4.527 -0.000 0.000 0.353 349 F C 0.693 176.602 175.800 0.182 0.000 1.177 349 F CA -1.116 57.044 58.000 0.266 0.000 1.036 349 F CB 0.850 40.107 39.000 0.429 0.000 1.455 349 F HN 0.314 nan 8.300 nan 0.000 0.520 350 S N -0.379 115.565 115.700 0.406 0.000 2.536 350 S HA 0.600 5.070 4.470 -0.000 0.000 0.298 350 S C -1.378 173.333 174.600 0.185 0.000 1.083 350 S CA -0.724 57.591 58.200 0.193 0.000 0.995 350 S CB 0.876 64.121 63.200 0.075 0.000 1.058 350 S HN 0.600 nan 8.310 nan 0.000 0.488 351 D N 1.891 122.359 120.400 0.113 0.000 2.478 351 D HA 0.327 4.967 4.640 -0.000 0.000 0.263 351 D C 1.164 177.536 176.300 0.120 0.000 1.153 351 D CA -0.762 53.294 54.000 0.093 0.000 1.038 351 D CB 0.284 41.127 40.800 0.072 0.000 1.120 351 D HN 0.500 nan 8.370 nan 0.000 0.564 352 R N -0.568 119.993 120.500 0.101 0.000 2.117 352 R HA -0.161 4.178 4.340 -0.000 0.000 0.243 352 R C 1.652 178.082 176.300 0.217 0.000 1.143 352 R CA 1.575 57.754 56.100 0.133 0.000 0.968 352 R CB -0.563 29.775 30.300 0.065 0.000 0.863 352 R HN 0.594 nan 8.270 nan 0.000 0.444 353 A N -0.716 122.198 122.820 0.157 0.000 2.238 353 A HA 0.174 4.494 4.320 -0.000 0.000 0.208 353 A C 1.269 178.938 177.584 0.142 0.000 1.177 353 A CA 0.881 53.015 52.037 0.162 0.000 0.804 353 A CB -0.028 19.022 19.000 0.083 0.000 0.823 353 A HN 0.557 nan 8.150 nan 0.000 0.482 354 G N -0.655 108.166 108.800 0.036 0.000 2.141 354 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.242 354 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.242 354 G C -0.421 174.337 174.900 -0.237 0.000 0.982 354 G CA 0.167 45.014 45.100 -0.420 0.000 0.662 354 G HN 0.486 nan 8.290 nan 0.000 0.527 355 D N 1.505 121.856 120.400 -0.081 0.000 2.175 355 D HA 0.451 5.091 4.640 -0.000 0.000 0.248 355 D C -2.081 174.212 176.300 -0.012 0.000 1.047 355 D CA -1.180 52.792 54.000 -0.046 0.000 0.883 355 D CB 1.896 42.690 40.800 -0.009 0.000 1.180 355 D HN 0.150 nan 8.370 nan 0.000 0.438 356 P HA 0.175 nan 4.420 nan 0.000 0.271 356 P C -0.338 177.000 177.300 0.064 0.000 1.216 356 P CA -0.188 62.929 63.100 0.027 0.000 0.776 356 P CB 0.780 32.468 31.700 -0.021 0.000 0.881 357 I N -0.942 119.701 120.570 0.123 0.000 2.646 357 I HA 0.615 4.785 4.170 -0.000 0.000 0.299 357 I C -0.707 175.476 176.117 0.110 0.000 1.036 357 I CA -0.791 60.586 61.300 0.127 0.000 1.074 357 I CB 2.408 40.514 38.000 0.177 0.000 1.258 357 I HN 0.066 nan 8.210 nan 0.000 0.430 358 T N 4.456 119.059 114.554 0.081 0.000 2.824 358 T HA 0.425 4.775 4.350 -0.000 0.000 0.282 358 T C -0.678 173.990 174.700 -0.055 0.000 0.993 358 T CA -0.554 61.556 62.100 0.017 0.000 0.967 358 T CB 2.068 71.007 68.868 0.117 0.000 0.960 358 T HN 0.593 nan 8.240 nan 0.000 0.441 359 V N 4.518 124.328 119.914 -0.174 0.000 2.357 359 V HA 0.526 4.646 4.120 -0.000 0.000 0.284 359 V C -0.371 175.620 176.094 -0.171 0.000 1.018 359 V CA -0.810 61.436 62.300 -0.091 0.000 0.841 359 V CB 0.797 32.636 31.823 0.025 0.000 0.991 359 V HN 0.631 nan 8.190 nan 0.000 0.437 360 K N 4.643 124.970 120.400 -0.121 0.000 2.295 360 K HA 0.257 4.577 4.320 -0.000 0.000 0.270 360 K C 0.568 177.066 176.600 -0.169 0.000 1.011 360 K CA 0.390 56.587 56.287 -0.149 0.000 0.953 360 K CB 0.168 32.594 32.500 -0.124 0.000 0.956 360 K HN 0.949 nan 8.250 nan 0.000 0.477 361 N N 0.530 119.113 118.700 -0.194 0.000 2.705 361 N HA -0.270 4.470 4.740 -0.000 0.000 0.255 361 N C 0.420 175.892 175.510 -0.063 0.000 1.008 361 N CA 0.332 53.278 53.050 -0.174 0.000 0.742 361 N CB -0.662 37.512 38.487 -0.520 0.000 0.906 361 N HN 0.720 nan 8.380 nan 0.000 0.541 362 A N -0.569 122.166 122.820 -0.142 0.000 1.970 362 A HA 0.169 4.489 4.320 -0.000 0.000 0.216 362 A C 0.874 178.391 177.584 -0.111 0.000 1.170 362 A CA 1.056 52.984 52.037 -0.183 0.000 0.645 362 A CB 0.674 19.374 19.000 -0.500 0.000 0.816 362 A HN 0.187 nan 8.150 nan 0.000 0.447 363 V N -0.270 119.593 119.914 -0.085 0.000 2.656 363 V HA 0.430 4.550 4.120 -0.000 0.000 0.307 363 V C -0.296 175.869 176.094 0.118 0.000 1.051 363 V CA -0.765 61.547 62.300 0.020 0.000 0.893 363 V CB 1.157 32.957 31.823 -0.039 0.000 0.999 363 V HN 0.572 nan 8.190 nan 0.000 0.426 364 c N 4.998 123.663 118.600 0.108 0.000 2.507 364 c HA 0.894 5.464 4.570 -0.000 0.000 0.319 364 c C -0.669 173.426 174.090 0.007 0.000 1.208 364 c CA -0.742 55.585 56.329 -0.004 0.000 1.619 364 c CB 0.333 42.821 42.510 -0.037 0.000 2.230 364 c HN 0.783 nan 8.230 nan 0.000 0.492 365 I N 5.630 126.160 120.570 -0.068 0.000 2.466 365 I HA 0.614 4.784 4.170 -0.000 0.000 0.289 365 I C -0.194 175.886 176.117 -0.061 0.000 1.026 365 I CA -0.078 61.129 61.300 -0.156 0.000 1.078 365 I CB 1.610 39.395 38.000 -0.359 0.000 1.249 365 I HN 0.976 nan 8.210 nan 0.000 0.429 366 H N 4.467 123.418 119.070 -0.199 0.000 2.981 366 H HA 0.519 5.075 4.556 -0.000 0.000 0.327 366 H C -1.990 173.327 175.328 -0.019 0.000 1.342 366 H CA -1.012 55.048 56.048 0.019 0.000 1.123 366 H CB 1.717 31.500 29.762 0.035 0.000 1.851 366 H HN 0.641 nan 8.280 nan 0.000 0.531 367 E N 1.052 121.329 120.200 0.129 0.000 2.256 367 E HA 0.541 4.891 4.350 -0.000 0.000 0.267 367 E C -1.089 175.590 176.600 0.132 0.000 0.892 367 E CA -0.906 55.490 56.400 -0.006 0.000 0.775 367 E CB 3.063 32.874 29.700 0.185 0.000 1.207 367 E HN 0.762 nan 8.360 nan 0.000 0.420 368 E N 1.518 121.764 120.200 0.076 0.000 2.433 368 E HA 0.284 4.634 4.350 -0.000 0.000 0.278 368 E C -1.429 175.231 176.600 0.100 0.000 0.976 368 E CA -1.033 55.441 56.400 0.123 0.000 0.793 368 E CB 1.385 31.174 29.700 0.150 0.000 1.311 368 E HN 0.486 nan 8.360 nan 0.000 0.460 369 D N -0.030 120.422 120.400 0.087 0.000 2.423 369 D HA 0.060 4.699 4.640 -0.000 0.000 0.238 369 D C -0.610 175.721 176.300 0.051 0.000 1.142 369 D CA 0.403 54.445 54.000 0.070 0.000 0.884 369 D CB 0.808 41.637 40.800 0.049 0.000 1.199 369 D HN 0.504 nan 8.370 nan 0.000 0.438 370 D N 2.058 122.487 120.400 0.049 0.000 2.908 370 D HA 0.312 4.952 4.640 -0.000 0.000 0.361 370 D C 0.487 176.797 176.300 0.017 0.000 1.416 370 D CA 0.528 54.547 54.000 0.032 0.000 0.796 370 D CB -0.115 40.716 40.800 0.051 0.000 1.185 370 D HN 0.659 nan 8.370 nan 0.000 0.451 371 G N 0.357 109.162 108.800 0.007 0.000 2.539 371 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.256 371 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.256 371 G C -0.317 174.570 174.900 -0.021 0.000 1.233 371 G CA -0.054 45.043 45.100 -0.006 0.000 0.936 371 G HN 0.333 nan 8.290 nan 0.000 0.571 372 L N 0.485 121.691 121.223 -0.027 0.000 2.326 372 L HA 0.475 4.815 4.340 -0.000 0.000 0.278 372 L C 1.601 178.427 176.870 -0.074 0.000 1.092 372 L CA -0.793 54.012 54.840 -0.058 0.000 0.810 372 L CB 1.289 43.328 42.059 -0.033 0.000 1.153 372 L HN 0.548 nan 8.230 nan 0.000 0.439 373 L N 3.726 124.829 121.223 -0.200 0.000 2.168 373 L HA 0.277 4.617 4.340 -0.000 0.000 0.203 373 L C -0.167 176.641 176.870 -0.103 0.000 1.078 373 L CA 1.315 56.018 54.840 -0.229 0.000 0.780 373 L CB 0.177 41.931 42.059 -0.509 0.000 0.939 373 L HN 0.592 nan 8.230 nan 0.000 0.451 374 F N -2.628 117.343 119.950 0.035 0.000 2.769 374 F HA 0.562 5.089 4.527 -0.000 0.000 0.313 374 F C -0.806 175.022 175.800 0.047 0.000 1.146 374 F CA -1.747 56.275 58.000 0.036 0.000 0.934 374 F CB 0.461 39.479 39.000 0.030 0.000 1.283 374 F HN -0.160 nan 8.300 nan 0.000 0.443 375 K N 0.767 121.377 120.400 0.350 0.000 2.575 375 K HA 0.650 4.970 4.320 -0.000 0.000 0.279 375 K C -2.526 174.229 176.600 0.258 0.000 0.969 375 K CA -0.896 55.543 56.287 0.252 0.000 0.868 375 K CB 2.455 35.025 32.500 0.116 0.000 1.457 375 K HN 1.135 nan 8.250 nan 0.000 0.426 376 H N -0.140 118.995 119.070 0.108 0.000 3.151 376 H HA 0.436 4.991 4.556 -0.000 0.000 0.333 376 H C -2.047 173.335 175.328 0.089 0.000 1.093 376 H CA -0.266 55.829 56.048 0.078 0.000 1.342 376 H CB 1.826 31.631 29.762 0.071 0.000 1.983 376 H HN 0.523 nan 8.280 nan 0.000 0.503 377 S N 3.190 118.479 115.700 -0.684 0.000 2.548 377 S HA 0.245 4.715 4.470 -0.000 0.000 0.286 377 S C -1.302 173.103 174.600 -0.326 0.000 1.098 377 S CA -0.905 57.093 58.200 -0.336 0.000 0.930 377 S CB 1.710 64.857 63.200 -0.090 0.000 1.070 377 S HN 0.658 nan 8.310 nan 0.000 0.480 378 D N 1.672 122.040 120.400 -0.054 0.000 2.313 378 D HA 0.221 4.861 4.640 -0.000 0.000 0.239 378 D C 0.918 177.211 176.300 -0.012 0.000 1.142 378 D CA -0.822 53.154 54.000 -0.039 0.000 0.847 378 D CB 0.531 41.270 40.800 -0.102 0.000 1.082 378 D HN 0.443 nan 8.370 nan 0.000 0.480 379 F N 3.880 123.871 119.950 0.069 0.000 2.269 379 F HA -0.021 4.505 4.527 -0.001 0.000 0.301 379 F C 1.869 177.524 175.800 -0.242 0.000 1.082 379 F CA 0.481 58.338 58.000 -0.238 0.000 1.360 379 F CB -0.412 38.538 39.000 -0.084 0.000 1.041 379 F HN 0.225 nan 8.300 nan 0.000 0.512 380 R N 1.018 120.946 120.500 -0.954 0.000 2.119 380 R HA -0.190 4.150 4.340 -0.000 0.000 0.246 380 R C 0.576 176.717 176.300 -0.265 0.000 1.146 380 R CA 1.829 57.570 56.100 -0.598 0.000 0.962 380 R CB -0.895 29.052 30.300 -0.589 0.000 0.863 380 R HN 0.568 nan 8.270 nan 0.000 0.442 381 D N -1.323 118.944 120.400 -0.222 0.000 2.755 381 D HA 0.030 4.670 4.640 -0.000 0.000 0.257 381 D C -0.386 175.827 176.300 -0.144 0.000 1.291 381 D CA -0.448 53.471 54.000 -0.135 0.000 0.836 381 D CB -0.327 40.423 40.800 -0.084 0.000 1.059 381 D HN -0.017 nan 8.370 nan 0.000 0.486 382 N N 0.925 119.466 118.700 -0.264 0.000 2.740 382 N HA -0.258 4.481 4.740 -0.000 0.000 0.248 382 N C -0.649 174.657 175.510 -0.340 0.000 1.062 382 N CA 0.675 53.469 53.050 -0.426 0.000 0.704 382 N CB -0.928 37.435 38.487 -0.207 0.000 0.968 382 N HN 0.331 nan 8.380 nan 0.000 0.547 383 F N -4.407 115.546 119.950 0.006 0.000 2.840 383 F HA -0.327 4.200 4.527 0.000 0.000 0.310 383 F C 1.664 177.470 175.800 0.009 0.000 0.688 383 F CA 0.802 58.797 58.000 -0.007 0.000 1.286 383 F CB -2.164 36.837 39.000 0.003 0.000 1.612 383 F HN 0.287 nan 8.300 nan 0.000 0.335 384 A N -1.124 121.774 122.820 0.128 0.000 1.969 384 A HA 0.014 4.334 4.320 -0.000 0.000 0.218 384 A C 1.430 179.088 177.584 0.124 0.000 1.169 384 A CA 1.842 53.950 52.037 0.117 0.000 0.635 384 A CB -0.395 18.640 19.000 0.058 0.000 0.810 384 A HN 0.342 nan 8.150 nan 0.000 0.445 385 T N 0.825 115.427 114.554 0.080 0.000 2.761 385 T HA 0.475 4.825 4.350 -0.000 0.000 0.296 385 T C -0.300 174.451 174.700 0.085 0.000 0.934 385 T CA 0.524 62.658 62.100 0.056 0.000 1.091 385 T CB 0.463 69.337 68.868 0.010 0.000 0.896 385 T HN 0.323 nan 8.240 nan 0.000 0.515 386 S N 3.352 119.116 115.700 0.107 0.000 2.558 386 S HA 0.655 5.125 4.470 -0.000 0.000 0.277 386 S C -2.007 172.681 174.600 0.147 0.000 1.143 386 S CA -0.882 57.397 58.200 0.131 0.000 0.865 386 S CB 1.011 64.333 63.200 0.204 0.000 1.102 386 S HN 0.685 nan 8.310 nan 0.000 0.454 387 L N 3.925 125.242 121.223 0.157 0.000 2.436 387 L HA 0.896 5.236 4.340 -0.000 0.000 0.268 387 L C -1.828 175.168 176.870 0.209 0.000 0.974 387 L CA -0.522 54.419 54.840 0.168 0.000 0.826 387 L CB 1.801 43.954 42.059 0.156 0.000 1.291 387 L HN 0.563 nan 8.230 nan 0.000 0.406 388 V N 2.897 122.929 119.914 0.195 0.000 2.623 388 V HA 0.568 4.688 4.120 -0.000 0.000 0.304 388 V C -0.491 175.627 176.094 0.040 0.000 1.054 388 V CA -0.392 61.986 62.300 0.130 0.000 0.882 388 V CB 2.091 33.983 31.823 0.116 0.000 1.002 388 V HN 0.789 nan 8.190 nan 0.000 0.424 389 T N 4.906 119.378 114.554 -0.136 0.000 2.840 389 T HA 0.481 4.830 4.350 -0.000 0.000 0.287 389 T C -0.116 174.384 174.700 -0.332 0.000 0.991 389 T CA -0.647 61.276 62.100 -0.297 0.000 0.964 389 T CB 1.181 69.686 68.868 -0.605 0.000 0.954 389 T HN 0.537 nan 8.240 nan 0.000 0.438 390 R N 1.485 121.881 120.500 -0.174 0.000 2.582 390 R HA 0.685 5.025 4.340 -0.000 0.000 0.271 390 R C 0.072 176.301 176.300 -0.119 0.000 1.078 390 R CA -0.568 55.461 56.100 -0.119 0.000 1.127 390 R CB 0.785 31.058 30.300 -0.046 0.000 1.038 390 R HN 0.664 nan 8.270 nan 0.000 0.500 391 A N 1.098 123.878 122.820 -0.067 0.000 2.312 391 A HA 0.461 4.781 4.320 -0.000 0.000 0.328 391 A C -0.225 177.407 177.584 0.079 0.000 1.158 391 A CA -0.392 51.643 52.037 -0.004 0.000 0.821 391 A CB 1.636 20.643 19.000 0.012 0.000 1.170 391 A HN 0.613 nan 8.150 nan 0.000 0.490 392 T N 0.733 115.392 114.554 0.174 0.000 2.893 392 T HA 0.617 4.967 4.350 -0.000 0.000 0.293 392 T C -0.817 174.150 174.700 0.446 0.000 1.027 392 T CA -0.721 61.538 62.100 0.266 0.000 0.988 392 T CB 0.796 69.838 68.868 0.290 0.000 1.043 392 T HN 0.877 nan 8.240 nan 0.000 0.461 393 K N 3.871 124.435 120.400 0.273 0.000 2.318 393 K HA 0.662 4.982 4.320 -0.000 0.000 0.249 393 K C -1.096 175.311 176.600 -0.322 0.000 0.942 393 K CA -1.203 55.152 56.287 0.114 0.000 0.808 393 K CB 1.887 34.410 32.500 0.039 0.000 1.189 393 K HN 0.462 nan 8.250 nan 0.000 0.428 394 L N 3.597 124.312 121.223 -0.846 0.000 2.264 394 L HA 0.388 4.728 4.340 -0.000 0.000 0.289 394 L C -1.260 175.335 176.870 -0.458 0.000 1.044 394 L CA -0.781 53.440 54.840 -1.032 0.000 0.807 394 L CB 1.529 42.548 42.059 -1.733 0.000 1.192 394 L HN 0.579 nan 8.230 nan 0.000 0.425 395 V N 5.870 125.498 119.914 -0.478 0.000 2.448 395 V HA 0.425 4.545 4.120 -0.000 0.000 0.295 395 V C -0.152 175.840 176.094 -0.170 0.000 1.025 395 V CA -0.638 61.494 62.300 -0.280 0.000 0.859 395 V CB 2.100 33.686 31.823 -0.395 0.000 0.988 395 V HN 0.492 nan 8.190 nan 0.000 0.431 396 V N 4.632 124.584 119.914 0.063 0.000 2.407 396 V HA 0.759 4.879 4.120 -0.000 0.000 0.291 396 V C 0.023 176.260 176.094 0.238 0.000 1.018 396 V CA -0.155 62.218 62.300 0.121 0.000 0.842 396 V CB 1.619 33.550 31.823 0.181 0.000 0.996 396 V HN 1.047 nan 8.190 nan 0.000 0.426 397 S N 4.282 120.085 115.700 0.172 0.000 2.685 397 S HA 0.941 5.411 4.470 -0.000 0.000 0.282 397 S C -1.120 173.539 174.600 0.100 0.000 1.159 397 S CA -0.831 57.431 58.200 0.103 0.000 0.833 397 S CB 2.601 65.756 63.200 -0.074 0.000 1.151 397 S HN 0.862 nan 8.310 nan 0.000 0.485 398 Q N -0.247 119.573 119.800 0.033 0.000 2.575 398 Q HA 0.747 5.087 4.340 -0.000 0.000 0.290 398 Q C -1.861 174.163 176.000 0.041 0.000 0.963 398 Q CA -1.111 54.766 55.803 0.122 0.000 0.783 398 Q CB 1.431 30.360 28.738 0.319 0.000 1.467 398 Q HN 0.751 nan 8.270 nan 0.000 0.402 399 I N 2.269 122.908 120.570 0.115 0.000 2.499 399 I HA 0.547 4.717 4.170 -0.000 0.000 0.288 399 I C -1.190 175.061 176.117 0.223 0.000 1.048 399 I CA -0.923 60.419 61.300 0.070 0.000 1.062 399 I CB 1.446 39.458 38.000 0.020 0.000 1.238 399 I HN 0.698 nan 8.210 nan 0.000 0.426 400 F N 2.917 122.956 119.950 0.148 0.000 2.577 400 F HA 0.802 5.329 4.527 -0.000 0.000 0.318 400 F C -0.664 175.250 175.800 0.190 0.000 1.065 400 F CA -0.800 57.301 58.000 0.168 0.000 0.929 400 F CB 1.614 40.714 39.000 0.168 0.000 1.237 400 F HN 0.156 nan 8.300 nan 0.000 0.468 401 T N 2.286 117.096 114.554 0.425 0.000 2.779 401 T HA 0.683 5.033 4.350 -0.000 0.000 0.280 401 T C -0.422 174.480 174.700 0.337 0.000 0.987 401 T CA -0.436 61.830 62.100 0.278 0.000 0.966 401 T CB 1.236 70.208 68.868 0.173 0.000 0.933 401 T HN 0.915 nan 8.240 nan 0.000 0.442 402 A N 2.811 125.823 122.820 0.318 0.000 2.801 402 A HA 0.755 5.075 4.320 -0.000 0.000 0.344 402 A C 1.213 178.812 177.584 0.026 0.000 1.322 402 A CA 0.054 52.185 52.037 0.158 0.000 0.913 402 A CB -0.999 18.187 19.000 0.310 0.000 1.140 402 A HN 1.469 nan 8.150 nan 0.000 0.487 403 A N 2.171 124.976 122.820 -0.025 0.000 4.974 403 A HA -0.384 3.936 4.320 -0.000 0.000 0.339 403 A C 1.993 179.618 177.584 0.067 0.000 1.785 403 A CA 2.079 54.133 52.037 0.028 0.000 0.707 403 A CB -1.774 17.237 19.000 0.017 0.000 1.430 403 A HN 1.335 nan 8.150 nan 0.000 0.398 404 N N -1.052 117.660 118.700 0.019 0.000 2.216 404 N HA -0.005 4.735 4.740 -0.000 0.000 0.183 404 N C 0.755 176.113 175.510 -0.253 0.000 1.017 404 N CA 1.668 54.564 53.050 -0.256 0.000 0.861 404 N CB -0.253 37.908 38.487 -0.545 0.000 0.986 404 N HN 0.663 nan 8.380 nan 0.000 0.428 405 Y N 1.223 121.498 120.300 -0.041 0.000 2.354 405 Y HA 0.335 4.885 4.550 -0.000 0.000 0.322 405 Y C 0.432 176.257 175.900 -0.126 0.000 1.253 405 Y CA -0.779 57.260 58.100 -0.102 0.000 1.272 405 Y CB 0.954 39.375 38.460 -0.064 0.000 1.255 405 Y HN -0.023 nan 8.280 nan 0.000 0.500 406 E N 2.021 122.188 120.200 -0.055 0.000 2.234 406 E HA 0.258 4.608 4.350 -0.000 0.000 0.266 406 E C -1.801 174.537 176.600 -0.437 0.000 0.877 406 E CA -0.748 55.558 56.400 -0.156 0.000 0.758 406 E CB 1.929 31.564 29.700 -0.107 0.000 1.170 406 E HN 0.490 nan 8.360 nan 0.000 0.415 407 Y N 0.372 120.363 120.300 -0.515 0.000 2.328 407 Y HA 0.264 4.813 4.550 -0.000 0.000 0.337 407 Y C -0.080 175.560 175.900 -0.434 0.000 0.966 407 Y CA -0.784 56.985 58.100 -0.552 0.000 1.136 407 Y CB 1.345 39.275 38.460 -0.883 0.000 1.170 407 Y HN 0.438 nan 8.280 nan 0.000 0.470 408 C N 5.727 124.925 119.300 -0.169 0.000 2.255 408 C HA 0.586 5.046 4.460 -0.000 0.000 0.326 408 C C -0.072 174.714 174.990 -0.340 0.000 1.258 408 C CA -1.204 57.674 59.018 -0.234 0.000 1.676 408 C CB -1.066 26.631 27.740 -0.070 0.000 2.314 408 C HN 0.628 nan 8.230 nan 0.000 0.509 409 L N 3.959 124.914 121.223 -0.447 0.000 2.287 409 L HA 0.492 4.832 4.340 -0.000 0.000 0.287 409 L C -1.085 175.422 176.870 -0.605 0.000 1.022 409 L CA -0.414 54.188 54.840 -0.398 0.000 0.814 409 L CB 0.580 42.563 42.059 -0.126 0.000 1.217 409 L HN 0.619 nan 8.230 nan 0.000 0.420 410 Y N 0.972 121.110 120.300 -0.271 0.000 2.338 410 Y HA 0.311 4.861 4.550 -0.000 0.000 0.328 410 Y C -0.765 174.922 175.900 -0.355 0.000 0.965 410 Y CA -0.684 57.296 58.100 -0.201 0.000 1.208 410 Y CB 1.073 39.451 38.460 -0.138 0.000 1.132 410 Y HN 0.469 nan 8.280 nan 0.000 0.469 411 W N 3.769 125.077 121.300 0.013 0.000 2.332 411 W HA 0.619 5.279 4.660 -0.000 0.000 0.306 411 W C -0.913 175.533 176.519 -0.123 0.000 1.149 411 W CA -0.730 56.552 57.345 -0.105 0.000 1.271 411 W CB 1.023 30.429 29.460 -0.090 0.000 1.243 411 W HN 0.138 nan 8.180 nan 0.000 0.459 412 V N 5.081 124.938 119.914 -0.094 0.000 2.459 412 V HA 0.455 4.575 4.120 -0.000 0.000 0.295 412 V C -0.578 175.334 176.094 -0.304 0.000 1.029 412 V CA -1.114 61.112 62.300 -0.124 0.000 0.874 412 V CB 0.831 32.585 31.823 -0.115 0.000 0.985 412 V HN 0.197 nan 8.190 nan 0.000 0.438 413 F N 4.239 124.068 119.950 -0.201 0.000 2.469 413 F HA 0.743 5.270 4.527 -0.000 0.000 0.332 413 F C 0.259 176.168 175.800 0.182 0.000 1.103 413 F CA -0.502 57.406 58.000 -0.154 0.000 0.979 413 F CB 1.855 40.640 39.000 -0.359 0.000 1.137 413 F HN 0.270 nan 8.300 nan 0.000 0.463 414 M N 1.914 121.852 119.600 0.562 0.000 2.662 414 M HA 0.317 4.797 4.480 -0.000 0.000 0.310 414 M C 0.557 177.258 176.300 0.668 0.000 1.204 414 M CA -0.668 54.989 55.300 0.595 0.000 0.891 414 M CB 2.258 35.041 32.600 0.306 0.000 1.732 414 M HN 0.587 nan 8.290 nan 0.000 0.467 415 Q N 0.768 120.836 119.800 0.446 0.000 2.515 415 Q HA -0.117 4.223 4.340 -0.000 0.000 0.212 415 Q C 0.288 176.382 176.000 0.156 0.000 0.970 415 Q CA 0.729 56.666 55.803 0.224 0.000 0.941 415 Q CB -0.080 28.713 28.738 0.091 0.000 0.998 415 Q HN 0.600 nan 8.270 nan 0.000 0.518 416 D N -1.707 118.801 120.400 0.181 0.000 2.369 416 D HA 0.073 4.713 4.640 -0.000 0.000 0.211 416 D C 1.114 177.438 176.300 0.040 0.000 1.077 416 D CA 0.603 54.647 54.000 0.074 0.000 0.842 416 D CB 0.458 41.318 40.800 0.100 0.000 0.947 416 D HN 0.194 nan 8.370 nan 0.000 0.509 417 G N -0.007 108.914 108.800 0.202 0.000 2.175 417 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.244 417 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.244 417 G C 0.497 175.723 174.900 0.543 0.000 0.982 417 G CA 0.095 45.370 45.100 0.290 0.000 0.641 417 G HN 0.790 nan 8.290 nan 0.000 0.527 418 A N -0.157 122.885 122.820 0.371 0.000 2.322 418 A HA 0.790 5.110 4.320 -0.000 0.000 0.269 418 A C 0.229 177.945 177.584 0.219 0.000 1.094 418 A CA 0.040 52.243 52.037 0.277 0.000 0.807 418 A CB 0.491 19.569 19.000 0.132 0.000 1.047 418 A HN 0.807 nan 8.150 nan 0.000 0.487 419 I N 0.881 121.506 120.570 0.091 0.000 2.509 419 I HA 0.534 4.704 4.170 -0.000 0.000 0.293 419 I C 0.155 176.168 176.117 -0.174 0.000 1.020 419 I CA -0.422 60.739 61.300 -0.231 0.000 1.088 419 I CB 1.958 39.766 38.000 -0.321 0.000 1.267 419 I HN 0.807 nan 8.210 nan 0.000 0.430 420 R N 5.996 126.344 120.500 -0.252 0.000 2.744 420 R HA 0.626 4.966 4.340 -0.000 0.000 0.279 420 R C -2.004 174.129 176.300 -0.279 0.000 0.977 420 R CA -0.715 55.259 56.100 -0.211 0.000 0.906 420 R CB 2.322 32.530 30.300 -0.153 0.000 1.197 420 R HN 0.607 nan 8.270 nan 0.000 0.463 421 L N 3.876 124.885 121.223 -0.357 0.000 2.298 421 L HA 0.460 4.800 4.340 -0.000 0.000 0.284 421 L C -1.432 175.189 176.870 -0.416 0.000 1.013 421 L CA -0.593 53.917 54.840 -0.550 0.000 0.824 421 L CB 1.587 43.193 42.059 -0.755 0.000 1.221 421 L HN 0.721 nan 8.230 nan 0.000 0.418 422 D N 6.121 126.333 120.400 -0.313 0.000 2.278 422 D HA 0.536 5.175 4.640 -0.000 0.000 0.245 422 D C -0.395 175.855 176.300 -0.083 0.000 1.052 422 D CA -0.019 53.876 54.000 -0.175 0.000 0.834 422 D CB 2.745 43.466 40.800 -0.131 0.000 1.194 422 D HN 0.349 nan 8.370 nan 0.000 0.481 423 I N 1.617 122.127 120.570 -0.099 0.000 2.545 423 I HA 0.383 4.553 4.170 -0.000 0.000 0.292 423 I C 0.064 176.163 176.117 -0.030 0.000 1.040 423 I CA -0.776 60.478 61.300 -0.077 0.000 1.068 423 I CB 2.093 39.956 38.000 -0.228 0.000 1.251 423 I HN -0.058 nan 8.210 nan 0.000 0.424 424 R N 4.747 125.262 120.500 0.026 0.000 2.480 424 R HA 0.540 4.880 4.340 -0.000 0.000 0.306 424 R C -1.327 174.894 176.300 -0.132 0.000 0.958 424 R CA -0.967 55.117 56.100 -0.026 0.000 0.861 424 R CB 2.448 32.785 30.300 0.063 0.000 1.171 424 R HN 0.362 nan 8.270 nan 0.000 0.445 425 L N 2.180 123.268 121.223 -0.226 0.000 2.275 425 L HA 0.506 4.846 4.340 -0.000 0.000 0.288 425 L C -0.226 176.472 176.870 -0.287 0.000 1.046 425 L CA 0.575 55.171 54.840 -0.406 0.000 0.805 425 L CB 1.720 43.429 42.059 -0.583 0.000 1.193 425 L HN 0.681 nan 8.230 nan 0.000 0.426 426 T N 2.473 116.867 114.554 -0.267 0.000 2.598 426 T HA 0.852 5.202 4.350 -0.000 0.000 0.289 426 T C -0.152 174.517 174.700 -0.052 0.000 1.056 426 T CA 0.140 62.162 62.100 -0.131 0.000 1.088 426 T CB 0.638 69.431 68.868 -0.124 0.000 1.519 426 T HN 1.417 nan 8.240 nan 0.000 0.488 427 G N 0.316 109.063 108.800 -0.088 0.000 2.466 427 G HA2 -0.025 3.935 3.960 -0.000 0.000 0.218 427 G HA3 -0.025 3.935 3.960 -0.000 0.000 0.218 427 G C -1.120 173.675 174.900 -0.175 0.000 1.237 427 G CA -0.199 44.838 45.100 -0.105 0.000 0.954 427 G HN 0.937 nan 8.290 nan 0.000 0.580 428 I N 0.901 121.278 120.570 -0.321 0.000 2.509 428 I HA 0.443 4.612 4.170 -0.000 0.000 0.293 428 I C 0.643 176.352 176.117 -0.680 0.000 1.020 428 I CA -0.858 60.172 61.300 -0.450 0.000 1.088 428 I CB 1.788 39.415 38.000 -0.621 0.000 1.267 428 I HN 0.499 nan 8.210 nan 0.000 0.430 429 L N 5.058 126.091 121.223 -0.315 0.000 2.485 429 L HA 0.047 4.387 4.340 -0.000 0.000 0.275 429 L C 0.908 177.601 176.870 -0.295 0.000 1.207 429 L CA 0.220 54.913 54.840 -0.245 0.000 0.855 429 L CB -0.030 42.079 42.059 0.084 0.000 1.114 429 L HN 0.673 nan 8.230 nan 0.000 0.485 430 N N 1.569 120.146 118.700 -0.206 0.000 2.513 430 N HA 0.115 4.855 4.740 -0.000 0.000 0.268 430 N C -0.802 174.713 175.510 0.009 0.000 1.180 430 N CA -0.178 52.838 53.050 -0.057 0.000 0.948 430 N CB 1.017 39.472 38.487 -0.054 0.000 1.083 430 N HN 0.703 nan 8.380 nan 0.000 0.455 431 T N 0.588 115.224 114.554 0.137 0.000 2.906 431 T HA 0.409 4.759 4.350 -0.000 0.000 0.295 431 T C -1.128 173.610 174.700 0.063 0.000 1.061 431 T CA -0.747 61.397 62.100 0.073 0.000 1.000 431 T CB 1.495 70.456 68.868 0.156 0.000 1.103 431 T HN 0.510 nan 8.240 nan 0.000 0.486 432 Y N 1.556 121.694 120.300 -0.270 0.000 2.570 432 Y HA 0.694 5.244 4.550 -0.000 0.000 0.345 432 Y C -0.447 175.340 175.900 -0.189 0.000 1.014 432 Y CA -2.174 55.756 58.100 -0.284 0.000 1.063 432 Y CB 1.507 39.697 38.460 -0.450 0.000 1.272 432 Y HN 1.010 nan 8.280 nan 0.000 0.477 433 I N 4.418 124.345 120.570 -1.073 0.000 2.696 433 I HA 0.282 4.452 4.170 -0.000 0.000 0.284 433 I C -1.370 174.487 176.117 -0.432 0.000 1.129 433 I CA -0.283 60.619 61.300 -0.664 0.000 1.410 433 I CB 0.539 38.160 38.000 -0.631 0.000 1.399 433 I HN 0.614 nan 8.210 nan 0.000 0.579 434 L N 6.978 128.072 121.223 -0.215 0.000 2.385 434 L HA 0.648 4.987 4.340 -0.000 0.000 0.273 434 L C 0.003 176.834 176.870 -0.066 0.000 0.990 434 L CA -0.115 54.673 54.840 -0.087 0.000 0.821 434 L CB 1.541 43.563 42.059 -0.061 0.000 1.279 434 L HN 0.651 nan 8.230 nan 0.000 0.412 435 G N 2.310 111.097 108.800 -0.022 0.000 2.544 435 G HA2 0.126 4.086 3.960 -0.000 0.000 0.242 435 G HA3 0.126 4.086 3.960 -0.000 0.000 0.242 435 G C 0.348 175.242 174.900 -0.011 0.000 1.247 435 G CA -0.206 44.886 45.100 -0.013 0.000 0.840 435 G HN 0.791 nan 8.290 nan 0.000 0.578 436 D N 0.387 120.784 120.400 -0.006 0.000 2.133 436 D HA -0.100 4.540 4.640 -0.000 0.000 0.195 436 D C 0.792 177.091 176.300 -0.003 0.000 0.997 436 D CA 1.288 55.288 54.000 -0.000 0.000 0.840 436 D CB 0.224 41.027 40.800 0.005 0.000 0.947 436 D HN 0.377 nan 8.370 nan 0.000 0.452 437 D N 0.712 121.113 120.400 0.002 0.000 2.895 437 D HA 0.089 4.729 4.640 -0.000 0.000 0.258 437 D C -0.131 176.175 176.300 0.010 0.000 1.311 437 D CA -0.008 53.994 54.000 0.003 0.000 0.843 437 D CB 0.369 41.172 40.800 0.004 0.000 1.055 437 D HN 0.259 nan 8.370 nan 0.000 0.486 438 E N 1.134 121.341 120.200 0.012 0.000 2.199 438 E HA 0.150 4.500 4.350 -0.000 0.000 0.269 438 E C -0.651 175.962 176.600 0.022 0.000 0.899 438 E CA -0.553 55.864 56.400 0.028 0.000 0.772 438 E CB 1.796 31.523 29.700 0.045 0.000 1.155 438 E HN -0.154 nan 8.360 nan 0.000 0.408 439 E N 2.315 122.530 120.200 0.026 0.000 2.249 439 E HA 0.226 4.576 4.350 -0.000 0.000 0.280 439 E C 0.040 176.662 176.600 0.036 0.000 1.016 439 E CA -0.064 56.344 56.400 0.013 0.000 0.830 439 E CB 1.661 31.356 29.700 -0.008 0.000 1.081 439 E HN 0.671 nan 8.360 nan 0.000 0.395 440 A N 3.610 126.449 122.820 0.032 0.000 2.259 440 A HA 0.067 4.387 4.320 -0.000 0.000 0.212 440 A C 1.207 178.825 177.584 0.056 0.000 1.178 440 A CA 1.297 53.379 52.037 0.075 0.000 0.734 440 A CB -0.958 18.078 19.000 0.060 0.000 0.774 440 A HN 0.894 nan 8.150 nan 0.000 0.481 441 G N -0.690 108.095 108.800 -0.025 0.000 2.578 441 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.275 441 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.275 441 G C -1.163 173.569 174.900 -0.280 0.000 1.271 441 G CA 0.206 45.211 45.100 -0.158 0.000 0.941 441 G HN 0.325 nan 8.290 nan 0.000 0.564 442 P HA 0.178 nan 4.420 nan 0.000 0.245 442 P C 1.095 178.126 177.300 -0.448 0.000 1.203 442 P CA 1.202 63.909 63.100 -0.655 0.000 0.792 442 P CB -0.023 31.062 31.700 -1.024 0.000 0.997 443 W N 0.113 121.464 121.300 0.085 0.000 3.139 443 W HA 0.429 5.089 4.660 -0.000 0.000 0.260 443 W C 0.983 177.602 176.519 0.168 0.000 1.312 443 W CA -0.063 57.337 57.345 0.092 0.000 1.606 443 W CB 0.206 29.667 29.460 0.002 0.000 1.118 443 W HN -0.074 nan 8.180 nan 0.000 0.675 444 G N -0.551 108.440 108.800 0.319 0.000 2.663 444 G HA2 0.536 4.496 3.960 -0.000 0.000 0.299 444 G HA3 0.536 4.496 3.960 -0.000 0.000 0.299 444 G C -1.440 173.565 174.900 0.174 0.000 1.372 444 G CA -0.620 44.670 45.100 0.317 0.000 0.781 444 G HN -0.289 nan 8.290 nan 0.000 0.491 445 T N -0.041 114.592 114.554 0.132 0.000 2.876 445 T HA 0.490 4.840 4.350 -0.000 0.000 0.289 445 T C -0.118 174.588 174.700 0.010 0.000 1.014 445 T CA -0.622 61.517 62.100 0.065 0.000 0.986 445 T CB 1.927 70.839 68.868 0.074 0.000 1.021 445 T HN 0.563 nan 8.240 nan 0.000 0.458 446 R N 2.729 123.222 120.500 -0.012 0.000 2.308 446 R HA 0.324 4.664 4.340 -0.000 0.000 0.325 446 R C 1.014 177.276 176.300 -0.063 0.000 1.161 446 R CA -0.253 55.815 56.100 -0.053 0.000 1.022 446 R CB -0.199 30.071 30.300 -0.050 0.000 1.091 446 R HN 0.571 nan 8.270 nan 0.000 0.497 447 V N 2.155 121.995 119.914 -0.122 0.000 3.608 447 V HA 0.271 4.391 4.120 -0.000 0.000 0.269 447 V C -0.257 175.821 176.094 -0.027 0.000 1.245 447 V CA 0.096 62.332 62.300 -0.106 0.000 1.138 447 V CB -0.858 30.834 31.823 -0.219 0.000 0.841 447 V HN 0.675 nan 8.190 nan 0.000 0.451 448 Y N -0.655 119.494 120.300 -0.251 0.000 2.620 448 Y HA 0.583 5.133 4.550 -0.000 0.000 0.331 448 Y C -3.158 172.608 175.900 -0.224 0.000 1.173 448 Y CA -2.308 55.689 58.100 -0.172 0.000 1.076 448 Y CB 1.772 40.162 38.460 -0.117 0.000 1.336 448 Y HN -0.113 nan 8.280 nan 0.000 0.459 449 P HA 0.106 nan 4.420 nan 0.000 0.261 449 P C -0.561 176.502 177.300 -0.394 0.000 1.183 449 P CA 1.210 63.922 63.100 -0.646 0.000 0.761 449 P CB 0.279 31.255 31.700 -1.208 0.000 0.785 450 N N -0.180 118.397 118.700 -0.206 0.000 2.878 450 N HA -0.122 4.618 4.740 -0.000 0.000 0.247 450 N C -0.774 174.652 175.510 -0.140 0.000 1.021 450 N CA 0.717 53.689 53.050 -0.129 0.000 0.873 450 N CB -1.495 36.942 38.487 -0.083 0.000 1.128 450 N HN 0.180 nan 8.380 nan 0.000 0.571 451 V N 1.287 121.120 119.914 -0.135 0.000 2.448 451 V HA 0.359 4.479 4.120 -0.000 0.000 0.295 451 V C 0.276 176.271 176.094 -0.164 0.000 1.025 451 V CA -0.806 61.399 62.300 -0.159 0.000 0.859 451 V CB 2.072 33.772 31.823 -0.205 0.000 0.988 451 V HN 0.222 nan 8.190 nan 0.000 0.431 452 N N 3.129 121.735 118.700 -0.156 0.000 2.479 452 N HA 0.642 5.382 4.740 -0.000 0.000 0.261 452 N C -0.455 174.949 175.510 -0.176 0.000 0.979 452 N CA -0.458 52.522 53.050 -0.118 0.000 0.930 452 N CB 1.326 39.783 38.487 -0.049 0.000 1.172 452 N HN 0.829 nan 8.380 nan 0.000 0.499 453 A N 3.533 126.297 122.820 -0.093 0.000 2.294 453 A HA 0.249 4.569 4.320 -0.000 0.000 0.316 453 A C -0.562 177.111 177.584 0.149 0.000 1.359 453 A CA -0.407 51.617 52.037 -0.022 0.000 0.956 453 A CB -0.141 18.854 19.000 -0.010 0.000 1.155 453 A HN 0.842 nan 8.150 nan 0.000 0.544 454 H N 2.286 121.482 119.070 0.210 0.000 2.815 454 H HA 0.051 4.606 4.556 -0.000 0.000 0.350 454 H C 0.249 175.811 175.328 0.390 0.000 1.080 454 H CA -0.433 55.794 56.048 0.298 0.000 1.433 454 H CB 0.688 30.628 29.762 0.296 0.000 1.432 454 H HN 0.670 nan 8.280 nan 0.000 0.592 455 N N 2.832 121.774 118.700 0.403 0.000 2.381 455 N HA 0.022 4.762 4.740 -0.000 0.000 0.241 455 N C -0.087 175.425 175.510 0.004 0.000 1.279 455 N CA 0.427 53.555 53.050 0.129 0.000 0.896 455 N CB 0.491 39.084 38.487 0.176 0.000 1.118 455 N HN 0.727 nan 8.380 nan 0.000 0.438 456 H N -2.277 116.574 119.070 -0.365 0.000 2.921 456 H HA 0.260 4.816 4.556 -0.000 0.000 0.287 456 H C -1.526 173.535 175.328 -0.445 0.000 1.434 456 H CA -0.770 54.944 56.048 -0.557 0.000 1.178 456 H CB 0.723 29.698 29.762 -1.312 0.000 1.836 456 H HN 0.429 nan 8.280 nan 0.000 0.495 457 Q N 0.510 120.096 119.800 -0.357 0.000 2.351 457 Q HA 0.393 4.733 4.340 -0.000 0.000 0.273 457 Q C -0.826 175.018 176.000 -0.260 0.000 1.077 457 Q CA -1.016 54.628 55.803 -0.264 0.000 0.843 457 Q CB 2.556 31.185 28.738 -0.182 0.000 1.367 457 Q HN 0.497 nan 8.270 nan 0.000 0.449 458 H N 1.583 120.602 119.070 -0.085 0.000 2.762 458 H HA 0.413 4.969 4.556 -0.000 0.000 0.310 458 H C -0.985 174.172 175.328 -0.286 0.000 1.004 458 H CA -0.211 55.746 56.048 -0.151 0.000 1.267 458 H CB 0.764 30.520 29.762 -0.010 0.000 1.437 458 H HN 0.360 nan 8.280 nan 0.000 0.498 459 L N 4.118 125.131 121.223 -0.350 0.000 2.346 459 L HA 0.463 4.803 4.340 -0.000 0.000 0.276 459 L C -0.838 175.744 176.870 -0.480 0.000 1.006 459 L CA -0.786 53.893 54.840 -0.270 0.000 0.817 459 L CB 1.383 43.385 42.059 -0.094 0.000 1.272 459 L HN 0.317 nan 8.230 nan 0.000 0.421 460 F N 0.086 119.870 119.950 -0.277 0.000 2.577 460 F HA 0.462 4.989 4.527 -0.000 0.000 0.318 460 F C 0.286 175.928 175.800 -0.263 0.000 1.065 460 F CA -0.860 56.912 58.000 -0.381 0.000 0.929 460 F CB 2.124 40.622 39.000 -0.837 0.000 1.237 460 F HN 0.223 nan 8.300 nan 0.000 0.468 461 S N 3.244 118.850 115.700 -0.158 0.000 2.601 461 S HA 0.441 4.911 4.470 -0.000 0.000 0.312 461 S C -0.984 173.674 174.600 0.098 0.000 1.107 461 S CA -0.596 57.497 58.200 -0.177 0.000 1.129 461 S CB 0.138 62.783 63.200 -0.925 0.000 0.982 461 S HN 0.662 nan 8.310 nan 0.000 0.469 462 L N 5.812 127.215 121.223 0.300 0.000 2.313 462 L HA 0.466 4.806 4.340 -0.000 0.000 0.282 462 L C 0.249 177.163 176.870 0.074 0.000 1.092 462 L CA -0.256 54.742 54.840 0.265 0.000 0.831 462 L CB 0.607 42.866 42.059 0.333 0.000 1.159 462 L HN 0.702 nan 8.230 nan 0.000 0.442 463 R N 6.211 126.644 120.500 -0.110 0.000 2.265 463 R HA 0.540 4.880 4.340 -0.000 0.000 0.328 463 R C -1.251 174.803 176.300 -0.409 0.000 0.969 463 R CA -0.516 55.281 56.100 -0.506 0.000 0.832 463 R CB 0.788 30.774 30.300 -0.523 0.000 1.139 463 R HN 0.628 nan 8.270 nan 0.000 0.457 464 I N 3.529 123.854 120.570 -0.407 0.000 2.389 464 I HA 0.194 4.364 4.170 -0.000 0.000 0.288 464 I C -0.646 175.327 176.117 -0.239 0.000 0.999 464 I CA -0.752 60.325 61.300 -0.372 0.000 1.129 464 I CB 1.899 39.630 38.000 -0.448 0.000 1.288 464 I HN 0.508 nan 8.210 nan 0.000 0.444 465 D N 9.480 129.774 120.400 -0.177 0.000 2.473 465 D HA 0.321 4.961 4.640 -0.000 0.000 0.226 465 D C -2.518 173.820 176.300 0.064 0.000 1.089 465 D CA -2.106 51.881 54.000 -0.022 0.000 0.883 465 D CB 1.430 42.251 40.800 0.036 0.000 1.029 465 D HN 0.151 nan 8.370 nan 0.000 0.517 466 P HA 0.321 nan 4.420 nan 0.000 0.276 466 P C -0.415 176.970 177.300 0.141 0.000 1.252 466 P CA -0.544 62.700 63.100 0.240 0.000 0.802 466 P CB 1.294 33.119 31.700 0.209 0.000 1.035 467 R N 1.342 121.917 120.500 0.125 0.000 2.499 467 R HA 0.232 4.572 4.340 -0.000 0.000 0.252 467 R C -0.258 176.071 176.300 0.048 0.000 1.309 467 R CA -0.310 55.827 56.100 0.063 0.000 1.425 467 R CB -0.154 30.191 30.300 0.075 0.000 1.392 467 R HN 0.293 nan 8.270 nan 0.000 0.766 468 I N 2.590 123.199 120.570 0.065 0.000 2.792 468 I HA -0.054 4.116 4.170 -0.000 0.000 0.284 468 I C 0.600 176.811 176.117 0.158 0.000 1.166 468 I CA 1.057 62.434 61.300 0.128 0.000 1.375 468 I CB -0.355 37.760 38.000 0.192 0.000 1.421 468 I HN 0.598 nan 8.210 nan 0.000 0.544 469 D N 4.828 125.355 120.400 0.212 0.000 2.911 469 D HA -0.154 4.485 4.640 -0.000 0.000 0.227 469 D C 0.540 176.849 176.300 0.015 0.000 1.164 469 D CA 1.667 55.696 54.000 0.049 0.000 0.782 469 D CB -0.694 40.020 40.800 -0.143 0.000 1.094 469 D HN 1.188 nan 8.370 nan 0.000 0.425 470 G N -1.228 107.594 108.800 0.037 0.000 2.343 470 G HA2 0.036 3.996 3.960 -0.000 0.000 0.562 470 G HA3 0.036 3.996 3.960 -0.000 0.000 0.562 470 G C -1.220 173.683 174.900 0.005 0.000 1.269 470 G CA -0.262 44.845 45.100 0.013 0.000 1.011 470 G HN 0.156 nan 8.290 nan 0.000 0.498 471 D N 0.529 120.922 120.400 -0.013 0.000 2.283 471 D HA 0.537 5.177 4.640 -0.000 0.000 0.248 471 D C 0.830 177.115 176.300 -0.025 0.000 1.072 471 D CA 1.463 55.447 54.000 -0.027 0.000 0.929 471 D CB 1.249 42.025 40.800 -0.041 0.000 1.182 471 D HN 2.013 nan 8.370 nan 0.000 0.433 472 G N 1.507 110.288 108.800 -0.031 0.000 2.897 472 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.436 472 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.436 472 G C -0.652 174.215 174.900 -0.055 0.000 1.079 472 G CA -0.765 44.315 45.100 -0.034 0.000 1.090 472 G HN 0.418 nan 8.290 nan 0.000 0.480 473 N N -0.360 118.298 118.700 -0.070 0.000 2.453 473 N HA 0.882 5.622 4.740 -0.000 0.000 0.290 473 N C -0.122 175.259 175.510 -0.216 0.000 1.250 473 N CA -0.318 52.649 53.050 -0.138 0.000 0.815 473 N CB 2.187 40.641 38.487 -0.054 0.000 1.381 473 N HN 0.482 nan 8.380 nan 0.000 0.510 474 S N -0.795 114.631 115.700 -0.457 0.000 2.685 474 S HA 0.934 5.404 4.470 -0.000 0.000 0.282 474 S C -1.266 173.137 174.600 -0.329 0.000 1.159 474 S CA -0.681 57.240 58.200 -0.466 0.000 0.833 474 S CB 2.044 64.754 63.200 -0.816 0.000 1.151 474 S HN 0.736 nan 8.310 nan 0.000 0.485 475 A N 0.115 122.946 122.820 0.019 0.000 2.515 475 A HA 1.007 5.327 4.320 -0.000 0.000 0.296 475 A C -1.125 176.453 177.584 -0.010 0.000 1.094 475 A CA -0.452 51.747 52.037 0.270 0.000 0.718 475 A CB 1.534 20.878 19.000 0.574 0.000 1.307 475 A HN 1.501 nan 8.150 nan 0.000 0.408 476 A N -0.363 122.390 122.820 -0.112 0.000 2.612 476 A HA 0.891 5.211 4.320 -0.000 0.000 0.293 476 A C -0.478 176.940 177.584 -0.276 0.000 1.075 476 A CA 0.042 51.738 52.037 -0.568 0.000 0.680 476 A CB 0.878 19.804 19.000 -0.123 0.000 1.279 476 A HN 2.505 nan 8.150 nan 0.000 0.411 477 A N -0.151 122.495 122.820 -0.290 0.000 2.312 477 A HA 0.633 4.952 4.320 -0.000 0.000 0.326 477 A C -0.401 177.091 177.584 -0.154 0.000 1.172 477 A CA -0.354 51.606 52.037 -0.127 0.000 0.821 477 A CB 0.321 19.379 19.000 0.097 0.000 1.166 477 A HN 1.311 nan 8.150 nan 0.000 0.493 478 C N 2.172 121.345 119.300 -0.212 0.000 2.340 478 C HA 0.654 5.114 4.460 -0.000 0.000 0.323 478 C C -0.840 174.047 174.990 -0.173 0.000 1.260 478 C CA -0.843 58.087 59.018 -0.147 0.000 1.464 478 C CB 0.481 28.158 27.740 -0.104 0.000 2.156 478 C HN 0.802 nan 8.230 nan 0.000 0.476 479 D N 1.958 122.269 120.400 -0.149 0.000 2.505 479 D HA 0.500 5.140 4.640 -0.000 0.000 0.249 479 D C -0.330 175.854 176.300 -0.193 0.000 1.082 479 D CA 0.051 53.951 54.000 -0.167 0.000 0.839 479 D CB 2.223 42.934 40.800 -0.149 0.000 1.317 479 D HN 0.681 nan 8.370 nan 0.000 0.497 480 A N 2.875 125.587 122.820 -0.180 0.000 2.450 480 A HA 0.402 4.722 4.320 -0.000 0.000 0.255 480 A C 0.107 177.544 177.584 -0.246 0.000 1.096 480 A CA 0.031 51.950 52.037 -0.196 0.000 0.778 480 A CB 0.383 19.269 19.000 -0.191 0.000 1.031 480 A HN 0.417 nan 8.150 nan 0.000 0.494 481 K N 2.027 122.226 120.400 -0.334 0.000 2.502 481 K HA 0.438 4.758 4.320 -0.000 0.000 0.257 481 K C -0.839 175.713 176.600 -0.080 0.000 0.938 481 K CA -0.663 55.459 56.287 -0.274 0.000 0.819 481 K CB 2.175 34.443 32.500 -0.386 0.000 1.333 481 K HN 0.583 nan 8.250 nan 0.000 0.434 482 S N 0.988 116.725 115.700 0.062 0.000 2.585 482 S HA 0.053 4.523 4.470 -0.000 0.000 0.273 482 S C 0.340 175.136 174.600 0.327 0.000 1.339 482 S CA -0.323 58.000 58.200 0.205 0.000 1.028 482 S CB 1.109 64.387 63.200 0.129 0.000 0.906 482 S HN 0.601 nan 8.310 nan 0.000 0.528 483 S N 2.721 118.639 115.700 0.363 0.000 2.558 483 S HA 0.075 4.545 4.470 -0.000 0.000 0.288 483 S C -1.127 173.613 174.600 0.233 0.000 1.318 483 S CA -1.048 57.356 58.200 0.340 0.000 1.056 483 S CB 0.321 63.688 63.200 0.277 0.000 0.853 483 S HN 0.552 nan 8.310 nan 0.000 0.505 484 P HA -0.026 nan 4.420 nan 0.000 0.223 484 P C -0.187 177.047 177.300 -0.111 0.000 1.151 484 P CA 0.646 63.735 63.100 -0.018 0.000 0.787 484 P CB -0.104 31.520 31.700 -0.126 0.000 0.788 485 Y N 2.784 123.109 120.300 0.041 0.000 2.511 485 Y HA 0.134 4.684 4.550 0.000 0.000 0.332 485 Y C -1.222 174.698 175.900 0.034 0.000 1.177 485 Y CA -2.105 56.011 58.100 0.026 0.000 1.422 485 Y CB -0.562 37.906 38.460 0.014 0.000 1.271 485 Y HN 0.064 nan 8.280 nan 0.000 0.550 486 P HA 0.043 nan 4.420 nan 0.000 0.274 486 P C -0.417 176.936 177.300 0.089 0.000 1.246 486 P CA -0.507 62.649 63.100 0.093 0.000 0.795 486 P CB 1.221 32.955 31.700 0.058 0.000 1.006 487 L N 0.734 121.993 121.223 0.060 0.000 2.490 487 L HA 0.129 4.469 4.340 -0.000 0.000 0.274 487 L C 1.517 178.390 176.870 0.004 0.000 1.201 487 L CA 1.680 56.542 54.840 0.037 0.000 0.869 487 L CB -0.589 41.488 42.059 0.031 0.000 1.123 487 L HN 0.903 nan 8.230 nan 0.000 0.484 488 G N 2.290 111.064 108.800 -0.042 0.000 2.176 488 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.253 488 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.253 488 G C 0.259 175.130 174.900 -0.048 0.000 0.979 488 G CA 0.384 45.439 45.100 -0.074 0.000 0.641 488 G HN 0.911 nan 8.290 nan 0.000 0.530 489 S N 0.101 115.798 115.700 -0.005 0.000 2.632 489 S HA 0.659 5.129 4.470 -0.000 0.000 0.271 489 S C -0.880 173.700 174.600 -0.032 0.000 1.260 489 S CA -0.647 57.561 58.200 0.013 0.000 1.010 489 S CB 2.325 65.585 63.200 0.100 0.000 0.965 489 S HN -0.026 nan 8.310 nan 0.000 0.534 490 P HA -0.078 nan 4.420 nan 0.000 0.216 490 P C 0.859 178.093 177.300 -0.111 0.000 1.150 490 P CA 1.192 64.249 63.100 -0.072 0.000 0.837 490 P CB -0.005 31.653 31.700 -0.070 0.000 0.786 491 E N -1.591 118.491 120.200 -0.197 0.000 2.268 491 E HA -0.083 4.267 4.350 -0.000 0.000 0.195 491 E C 0.854 177.364 176.600 -0.150 0.000 0.995 491 E CA 0.878 57.081 56.400 -0.327 0.000 0.836 491 E CB -0.491 28.645 29.700 -0.940 0.000 0.763 491 E HN 0.141 nan 8.360 nan 0.000 0.491 492 N N -0.693 117.985 118.700 -0.036 0.000 2.604 492 N HA 0.080 4.820 4.740 -0.000 0.000 0.284 492 N C 0.353 175.891 175.510 0.047 0.000 1.716 492 N CA -0.040 53.039 53.050 0.048 0.000 0.859 492 N CB -0.095 38.464 38.487 0.120 0.000 1.403 492 N HN -0.102 nan 8.380 nan 0.000 0.501 493 M N 0.361 119.964 119.600 0.004 0.000 2.190 493 M HA -0.210 4.270 4.480 -0.000 0.000 0.252 493 M C 0.196 176.352 176.300 -0.241 0.000 1.076 493 M CA 2.133 57.347 55.300 -0.144 0.000 1.079 493 M CB -0.490 31.985 32.600 -0.209 0.000 1.303 493 M HN 0.385 nan 8.290 nan 0.000 0.412 494 Y N -0.701 119.612 120.300 0.022 0.000 2.493 494 Y HA 0.463 5.013 4.550 -0.001 0.000 0.275 494 Y C 1.461 177.387 175.900 0.044 0.000 1.183 494 Y CA -0.018 58.099 58.100 0.029 0.000 1.258 494 Y CB -0.577 37.897 38.460 0.023 0.000 1.108 494 Y HN 0.471 nan 8.280 nan 0.000 0.521 495 G N 1.665 110.562 108.800 0.160 0.000 2.258 495 G HA2 -0.392 3.568 3.960 -0.000 0.000 0.274 495 G HA3 -0.392 3.568 3.960 -0.000 0.000 0.274 495 G C 0.911 175.906 174.900 0.158 0.000 1.021 495 G CA 0.830 46.013 45.100 0.139 0.000 0.798 495 G HN 0.601 nan 8.290 nan 0.000 0.507 496 N N -0.345 118.458 118.700 0.172 0.000 2.254 496 N HA 0.370 5.110 4.740 -0.000 0.000 0.190 496 N C 1.022 176.657 175.510 0.207 0.000 1.107 496 N CA 0.624 53.782 53.050 0.181 0.000 0.869 496 N CB 0.118 38.688 38.487 0.138 0.000 0.983 496 N HN 0.918 nan 8.380 nan 0.000 0.487 497 A N 1.036 123.955 122.820 0.164 0.000 2.488 497 A HA 0.444 4.763 4.320 -0.000 0.000 0.249 497 A C -0.461 177.288 177.584 0.276 0.000 1.083 497 A CA -0.220 51.894 52.037 0.128 0.000 0.768 497 A CB -0.515 18.546 19.000 0.101 0.000 1.017 497 A HN 0.472 nan 8.150 nan 0.000 0.496 498 F N 0.776 120.819 119.950 0.153 0.000 2.654 498 F HA 0.754 5.280 4.527 -0.000 0.000 0.308 498 F C -1.072 174.868 175.800 0.233 0.000 1.108 498 F CA -1.510 56.599 58.000 0.182 0.000 0.957 498 F CB 0.834 39.872 39.000 0.063 0.000 1.309 498 F HN 0.770 nan 8.300 nan 0.000 0.446 499 Y N -0.611 119.863 120.300 0.290 0.000 2.728 499 Y HA 0.790 5.340 4.550 -0.000 0.000 0.330 499 Y C -1.389 174.621 175.900 0.184 0.000 1.234 499 Y CA -1.896 56.294 58.100 0.151 0.000 1.070 499 Y CB 0.920 39.413 38.460 0.056 0.000 1.300 499 Y HN 0.795 nan 8.280 nan 0.000 0.467 500 S N 0.694 116.412 115.700 0.031 0.000 2.429 500 S HA 0.284 4.754 4.470 -0.000 0.000 0.302 500 S C -0.940 173.627 174.600 -0.054 0.000 1.115 500 S CA -0.575 57.580 58.200 -0.076 0.000 1.095 500 S CB 0.124 63.336 63.200 0.021 0.000 0.987 500 S HN 0.683 nan 8.310 nan 0.000 0.474 501 E N 3.974 124.063 120.200 -0.185 0.000 2.130 501 E HA 0.225 4.575 4.350 -0.000 0.000 0.284 501 E C -0.546 176.042 176.600 -0.021 0.000 1.018 501 E CA -0.433 55.959 56.400 -0.015 0.000 0.817 501 E CB 0.513 30.189 29.700 -0.040 0.000 1.078 501 E HN 0.512 nan 8.360 nan 0.000 0.396 502 K N 3.543 123.945 120.400 0.004 0.000 2.263 502 K HA 0.230 4.549 4.320 -0.000 0.000 0.272 502 K C -1.219 175.370 176.600 -0.019 0.000 1.033 502 K CA -0.385 55.875 56.287 -0.045 0.000 0.884 502 K CB 1.192 33.636 32.500 -0.093 0.000 1.107 502 K HN 0.335 nan 8.250 nan 0.000 0.460 503 T N 3.326 117.866 114.554 -0.024 0.000 2.853 503 T HA 0.071 4.421 4.350 -0.000 0.000 0.317 503 T C -0.362 174.306 174.700 -0.053 0.000 1.059 503 T CA -0.434 61.684 62.100 0.030 0.000 0.954 503 T CB 0.964 69.900 68.868 0.113 0.000 0.994 503 T HN 0.641 nan 8.240 nan 0.000 0.479 504 T N 3.403 117.963 114.554 0.010 0.000 2.817 504 T HA 0.467 4.817 4.350 -0.000 0.000 0.293 504 T C -0.103 174.682 174.700 0.143 0.000 0.964 504 T CA -0.699 61.412 62.100 0.019 0.000 1.085 504 T CB -0.204 68.800 68.868 0.227 0.000 0.921 504 T HN 0.239 nan 8.240 nan 0.000 0.502 505 F N 4.454 124.530 119.950 0.210 0.000 2.506 505 F HA 0.356 4.883 4.527 0.000 0.000 0.371 505 F C 1.463 177.333 175.800 0.117 0.000 1.078 505 F CA -0.816 57.274 58.000 0.149 0.000 1.195 505 F CB 0.391 39.479 39.000 0.146 0.000 1.099 505 F HN 0.689 nan 8.300 nan 0.000 0.548 506 K N 0.588 121.156 120.400 0.280 0.000 2.244 506 K HA 0.094 4.414 4.320 -0.000 0.000 0.200 506 K C 0.608 177.291 176.600 0.138 0.000 1.052 506 K CA 0.653 57.045 56.287 0.175 0.000 0.980 506 K CB 0.317 32.898 32.500 0.135 0.000 0.838 506 K HN 0.515 nan 8.250 nan 0.000 0.481 507 T N 0.011 114.641 114.554 0.126 0.000 2.908 507 T HA 0.162 4.512 4.350 -0.000 0.000 0.290 507 T C 1.238 175.960 174.700 0.036 0.000 1.034 507 T CA -0.624 61.520 62.100 0.073 0.000 1.010 507 T CB 2.216 71.117 68.868 0.053 0.000 1.068 507 T HN -0.265 nan 8.240 nan 0.000 0.481 508 V N 3.126 123.048 119.914 0.014 0.000 2.278 508 V HA -0.209 3.911 4.120 -0.000 0.000 0.251 508 V C 2.608 178.637 176.094 -0.109 0.000 1.062 508 V CA 2.112 64.392 62.300 -0.033 0.000 1.038 508 V CB -0.521 31.297 31.823 -0.009 0.000 0.646 508 V HN 0.841 nan 8.190 nan 0.000 0.447 509 K N -0.254 120.099 120.400 -0.078 0.000 2.152 509 K HA -0.251 4.068 4.320 -0.000 0.000 0.206 509 K C 1.754 178.264 176.600 -0.151 0.000 1.048 509 K CA 1.892 58.115 56.287 -0.106 0.000 0.933 509 K CB -0.247 32.224 32.500 -0.049 0.000 0.721 509 K HN 0.530 nan 8.250 nan 0.000 0.447 510 D N -0.003 120.326 120.400 -0.119 0.000 2.178 510 D HA -0.123 4.516 4.640 -0.000 0.000 0.202 510 D C 1.921 177.897 176.300 -0.540 0.000 0.974 510 D CA 1.512 55.440 54.000 -0.120 0.000 0.841 510 D CB -0.071 40.793 40.800 0.107 0.000 0.953 510 D HN 0.363 nan 8.370 nan 0.000 0.478 511 S N 0.207 115.395 115.700 -0.855 0.000 2.461 511 S HA -0.036 4.434 4.470 -0.000 0.000 0.228 511 S C 1.296 175.428 174.600 -0.780 0.000 1.005 511 S CA -0.084 57.191 58.200 -1.540 0.000 0.942 511 S CB -0.530 62.128 63.200 -0.903 0.000 0.776 511 S HN 0.172 nan 8.310 nan 0.000 0.514 512 L N 3.793 124.698 121.223 -0.530 0.000 2.617 512 L HA 0.230 4.570 4.340 -0.000 0.000 0.282 512 L C 0.387 177.100 176.870 -0.261 0.000 1.174 512 L CA -0.131 54.356 54.840 -0.588 0.000 1.016 512 L CB -1.090 40.463 42.059 -0.844 0.000 1.337 512 L HN 0.420 nan 8.230 nan 0.000 0.460 513 T N -1.045 113.511 114.554 0.003 0.000 2.896 513 T HA 0.549 4.899 4.350 -0.000 0.000 0.297 513 T C -0.390 174.586 174.700 0.460 0.000 1.108 513 T CA -1.100 61.179 62.100 0.299 0.000 1.004 513 T CB 2.497 71.642 68.868 0.462 0.000 1.159 513 T HN 0.219 nan 8.240 nan 0.000 0.499 514 N N -0.064 118.922 118.700 0.477 0.000 2.402 514 N HA 0.358 5.098 4.740 -0.000 0.000 0.294 514 N C -1.359 174.525 175.510 0.623 0.000 1.203 514 N CA -0.646 52.702 53.050 0.497 0.000 0.838 514 N CB 1.312 39.977 38.487 0.297 0.000 1.306 514 N HN 0.770 nan 8.380 nan 0.000 0.510 515 Y N 0.951 121.599 120.300 0.581 0.000 2.497 515 Y HA 0.049 4.599 4.550 -0.000 0.000 0.334 515 Y C -0.253 175.779 175.900 0.220 0.000 1.199 515 Y CA 0.479 58.865 58.100 0.477 0.000 1.425 515 Y CB 0.535 39.282 38.460 0.478 0.000 1.291 515 Y HN 0.285 nan 8.280 nan 0.000 0.562 516 E N 3.713 123.349 120.200 -0.941 0.000 2.235 516 E HA 0.130 4.480 4.350 -0.000 0.000 0.252 516 E C 0.517 176.574 176.600 -0.905 0.000 0.886 516 E CA 0.029 56.026 56.400 -0.673 0.000 0.767 516 E CB 1.520 31.025 29.700 -0.324 0.000 1.205 516 E HN 0.811 nan 8.360 nan 0.000 0.421 517 S N 1.782 117.122 115.700 -0.600 0.000 2.382 517 S HA -0.193 4.277 4.470 -0.000 0.000 0.228 517 S C 1.885 176.385 174.600 -0.166 0.000 1.027 517 S CA 1.045 59.096 58.200 -0.247 0.000 0.991 517 S CB -0.105 63.096 63.200 0.001 0.000 0.823 517 S HN 0.462 nan 8.310 nan 0.000 0.469 518 A N 1.747 124.470 122.820 -0.162 0.000 2.076 518 A HA -0.017 4.303 4.320 -0.000 0.000 0.220 518 A C 2.288 179.792 177.584 -0.133 0.000 1.160 518 A CA 1.874 53.841 52.037 -0.116 0.000 0.653 518 A CB -0.967 17.977 19.000 -0.092 0.000 0.801 518 A HN 0.835 nan 8.150 nan 0.000 0.455 519 T N -5.864 108.584 114.554 -0.177 0.000 3.058 519 T HA 0.433 4.783 4.350 -0.000 0.000 0.278 519 T C 1.087 175.689 174.700 -0.163 0.000 0.974 519 T CA 0.945 62.943 62.100 -0.170 0.000 0.893 519 T CB 0.016 68.780 68.868 -0.174 0.000 1.138 519 T HN 1.686 nan 8.240 nan 0.000 0.529 520 G N 2.812 111.522 108.800 -0.150 0.000 2.323 520 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.292 520 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.292 520 G C 0.014 174.895 174.900 -0.031 0.000 1.040 520 G CA 0.285 45.370 45.100 -0.024 0.000 0.942 520 G HN 0.938 nan 8.290 nan 0.000 0.506 521 R N -0.009 120.382 120.500 -0.181 0.000 2.638 521 R HA 0.381 4.720 4.340 -0.000 0.000 0.268 521 R C 0.754 176.908 176.300 -0.243 0.000 1.006 521 R CA 0.942 56.866 56.100 -0.293 0.000 1.088 521 R CB 0.247 30.249 30.300 -0.496 0.000 0.950 521 R HN 0.827 nan 8.270 nan 0.000 0.419 522 S N 3.408 118.852 115.700 -0.427 0.000 2.607 522 S HA 0.563 5.032 4.470 -0.000 0.000 0.273 522 S C -1.322 173.081 174.600 -0.327 0.000 1.148 522 S CA -1.064 56.992 58.200 -0.240 0.000 0.833 522 S CB 1.285 64.474 63.200 -0.018 0.000 1.130 522 S HN 0.619 nan 8.310 nan 0.000 0.470 523 W N 0.735 122.133 121.300 0.164 0.000 2.736 523 W HA 0.457 5.117 4.660 0.000 0.000 0.335 523 W C -1.227 175.380 176.519 0.145 0.000 1.059 523 W CA -0.410 57.062 57.345 0.211 0.000 1.226 523 W CB 2.046 31.759 29.460 0.422 0.000 1.416 523 W HN 0.639 nan 8.180 nan 0.000 0.505 524 D N 2.024 122.640 120.400 0.360 0.000 2.185 524 D HA 0.512 5.151 4.640 -0.000 0.000 0.247 524 D C -0.448 176.102 176.300 0.418 0.000 1.027 524 D CA -0.327 53.855 54.000 0.303 0.000 0.861 524 D CB 2.058 42.973 40.800 0.192 0.000 1.202 524 D HN 0.086 nan 8.370 nan 0.000 0.453 525 I N 3.393 124.175 120.570 0.353 0.000 2.411 525 I HA 0.351 4.521 4.170 -0.000 0.000 0.284 525 I C -0.759 175.587 176.117 0.381 0.000 1.012 525 I CA -0.893 60.586 61.300 0.298 0.000 1.119 525 I CB 0.372 38.458 38.000 0.143 0.000 1.261 525 I HN 0.211 nan 8.210 nan 0.000 0.448 526 F N 4.086 124.118 119.950 0.137 0.000 2.640 526 F HA 0.584 5.111 4.527 0.000 0.000 0.324 526 F C -0.609 175.250 175.800 0.098 0.000 1.077 526 F CA -1.295 56.777 58.000 0.120 0.000 0.965 526 F CB 1.010 40.061 39.000 0.085 0.000 1.351 526 F HN 0.182 nan 8.300 nan 0.000 0.487 527 N N 2.756 121.576 118.700 0.200 0.000 2.609 527 N HA 0.317 5.057 4.740 -0.000 0.000 0.234 527 N C -2.060 173.542 175.510 0.154 0.000 1.001 527 N CA -2.512 50.576 53.050 0.063 0.000 0.926 527 N CB 1.279 39.807 38.487 0.069 0.000 1.130 527 N HN 0.444 nan 8.380 nan 0.000 0.510 528 P HA -0.022 nan 4.420 nan 0.000 0.239 528 P C -0.257 177.106 177.300 0.105 0.000 1.184 528 P CA 0.757 63.980 63.100 0.205 0.000 0.760 528 P CB 0.248 32.030 31.700 0.135 0.000 0.884 529 N N -0.563 118.170 118.700 0.054 0.000 2.322 529 N HA 0.079 4.819 4.740 -0.000 0.000 0.194 529 N C 0.230 175.751 175.510 0.018 0.000 1.126 529 N CA 0.200 53.267 53.050 0.028 0.000 0.845 529 N CB 0.147 38.639 38.487 0.008 0.000 0.976 529 N HN 0.209 nan 8.380 nan 0.000 0.475 530 K N -0.036 120.382 120.400 0.029 0.000 2.509 530 K HA 0.631 4.950 4.320 -0.000 0.000 0.266 530 K C -1.344 175.260 176.600 0.006 0.000 0.987 530 K CA -1.091 55.195 56.287 -0.001 0.000 0.868 530 K CB 2.826 35.306 32.500 -0.033 0.000 1.421 530 K HN -0.157 nan 8.250 nan 0.000 0.444 531 V N -1.574 118.327 119.914 -0.022 0.000 2.925 531 V HA 0.473 4.592 4.120 -0.000 0.000 0.311 531 V C -0.786 175.282 176.094 -0.044 0.000 1.104 531 V CA -1.042 61.244 62.300 -0.023 0.000 0.954 531 V CB 1.867 33.680 31.823 -0.016 0.000 1.022 531 V HN 0.806 nan 8.190 nan 0.000 0.427 532 N N 5.118 123.801 118.700 -0.028 0.000 2.442 532 N HA 0.269 5.009 4.740 -0.000 0.000 0.265 532 N C -1.346 174.150 175.510 -0.024 0.000 1.138 532 N CA -1.384 51.647 53.050 -0.033 0.000 0.956 532 N CB 1.908 40.428 38.487 0.056 0.000 1.067 532 N HN 0.661 nan 8.380 nan 0.000 0.474 533 P HA -0.119 nan 4.420 nan 0.000 0.228 533 P C 0.339 177.710 177.300 0.119 0.000 1.151 533 P CA 1.180 64.251 63.100 -0.048 0.000 0.770 533 P CB 0.179 31.789 31.700 -0.148 0.000 0.786 534 Y N 0.725 121.034 120.300 0.014 0.000 2.351 534 Y HA 0.023 4.574 4.550 0.000 0.000 0.291 534 Y C 2.911 178.827 175.900 0.026 0.000 1.153 534 Y CA 0.848 58.957 58.100 0.016 0.000 1.193 534 Y CB -1.260 37.212 38.460 0.019 0.000 1.187 534 Y HN 0.037 nan 8.280 nan 0.000 0.524 535 S N -0.900 114.945 115.700 0.243 0.000 2.461 535 S HA 0.166 4.636 4.470 -0.000 0.000 0.228 535 S C 1.937 176.577 174.600 0.066 0.000 1.005 535 S CA 0.882 59.185 58.200 0.171 0.000 0.942 535 S CB -0.373 63.019 63.200 0.320 0.000 0.776 535 S HN 0.664 nan 8.310 nan 0.000 0.514 536 G N 0.959 109.787 108.800 0.047 0.000 2.179 536 G HA2 -0.218 3.741 3.960 -0.000 0.000 0.260 536 G HA3 -0.218 3.741 3.960 -0.000 0.000 0.260 536 G C 0.014 174.878 174.900 -0.060 0.000 0.977 536 G CA 0.428 45.526 45.100 -0.004 0.000 0.641 536 G HN 0.543 nan 8.290 nan 0.000 0.533 537 K N 1.073 121.401 120.400 -0.119 0.000 2.095 537 K HA 0.532 4.851 4.320 -0.000 0.000 0.252 537 K C -2.305 174.212 176.600 -0.139 0.000 0.977 537 K CA -2.230 53.910 56.287 -0.245 0.000 0.900 537 K CB 1.411 33.521 32.500 -0.650 0.000 1.060 537 K HN 0.166 nan 8.250 nan 0.000 0.449 538 P HA 0.133 nan 4.420 nan 0.000 0.272 538 P C -2.480 174.864 177.300 0.073 0.000 1.223 538 P CA -1.282 61.831 63.100 0.023 0.000 0.784 538 P CB -0.162 31.634 31.700 0.159 0.000 0.923 539 P HA 0.057 nan 4.420 nan 0.000 0.271 539 P C -0.292 177.178 177.300 0.284 0.000 1.218 539 P CA 0.364 63.534 63.100 0.116 0.000 0.780 539 P CB 0.628 32.264 31.700 -0.106 0.000 0.901 540 S N 1.648 117.556 115.700 0.347 0.000 2.615 540 S HA 0.550 5.020 4.470 -0.000 0.000 0.269 540 S C -1.912 172.830 174.600 0.237 0.000 1.161 540 S CA -0.676 57.736 58.200 0.353 0.000 0.817 540 S CB 1.026 64.400 63.200 0.291 0.000 1.131 540 S HN 0.290 nan 8.310 nan 0.000 0.467 541 Y N 1.025 121.388 120.300 0.105 0.000 2.350 541 Y HA 0.588 5.138 4.550 0.000 0.000 0.338 541 Y C 0.023 175.972 175.900 0.082 0.000 0.961 541 Y CA -0.476 57.641 58.100 0.029 0.000 1.100 541 Y CB 1.937 40.389 38.460 -0.013 0.000 1.179 541 Y HN 0.862 nan 8.280 nan 0.000 0.454 542 K N 4.653 125.098 120.400 0.076 0.000 2.213 542 K HA 0.450 4.770 4.320 -0.000 0.000 0.270 542 K C -1.352 175.308 176.600 0.099 0.000 1.002 542 K CA -0.869 55.479 56.287 0.102 0.000 0.868 542 K CB 0.864 33.399 32.500 0.058 0.000 1.093 542 K HN 0.650 nan 8.250 nan 0.000 0.454 543 L N 5.606 126.904 121.223 0.126 0.000 2.313 543 L HA 0.233 4.573 4.340 -0.000 0.000 0.282 543 L C -1.284 175.678 176.870 0.153 0.000 1.092 543 L CA 0.028 54.918 54.840 0.082 0.000 0.831 543 L CB 1.182 43.258 42.059 0.027 0.000 1.159 543 L HN 0.385 nan 8.230 nan 0.000 0.442 544 V N 5.127 125.082 119.914 0.069 0.000 2.284 544 V HA 0.483 4.602 4.120 -0.000 0.000 0.274 544 V C -0.040 176.072 176.094 0.030 0.000 1.023 544 V CA -0.217 62.122 62.300 0.065 0.000 0.808 544 V CB 0.821 32.658 31.823 0.024 0.000 1.035 544 V HN 0.846 nan 8.190 nan 0.000 0.445 545 S N 2.712 118.464 115.700 0.087 0.000 2.594 545 S HA 0.551 5.021 4.470 -0.000 0.000 0.296 545 S C 0.438 174.990 174.600 -0.080 0.000 1.124 545 S CA -0.216 58.028 58.200 0.073 0.000 1.011 545 S CB 2.119 65.473 63.200 0.256 0.000 1.016 545 S HN 0.675 nan 8.310 nan 0.000 0.485 546 T N 3.036 117.488 114.554 -0.170 0.000 2.954 546 T HA 0.223 4.573 4.350 -0.000 0.000 0.252 546 T C 0.130 174.723 174.700 -0.179 0.000 0.983 546 T CA 0.240 62.085 62.100 -0.426 0.000 0.941 546 T CB 0.145 68.847 68.868 -0.277 0.000 1.141 546 T HN 0.632 nan 8.240 nan 0.000 0.500 547 Q N 1.244 121.045 119.800 0.002 0.000 3.006 547 Q HA 0.277 4.617 4.340 -0.000 0.000 0.260 547 Q C -0.897 175.216 176.000 0.188 0.000 1.356 547 Q CA -0.269 55.594 55.803 0.100 0.000 1.070 547 Q CB -0.279 28.533 28.738 0.123 0.000 1.507 547 Q HN 0.330 nan 8.270 nan 0.000 0.568 548 C N 3.284 122.691 119.300 0.178 0.000 2.787 548 C HA 0.363 4.823 4.460 -0.000 0.000 0.265 548 C C -1.870 173.255 174.990 0.226 0.000 1.190 548 C CA -1.743 57.422 59.018 0.246 0.000 1.616 548 C CB -0.608 27.358 27.740 0.375 0.000 1.732 548 C HN 0.544 nan 8.230 nan 0.000 0.433 549 P HA 0.299 nan 4.420 nan 0.000 0.275 549 P C -2.378 174.977 177.300 0.091 0.000 1.228 549 P CA -0.828 62.345 63.100 0.121 0.000 0.786 549 P CB 0.407 32.153 31.700 0.076 0.000 0.927 550 P HA 0.145 nan 4.420 nan 0.000 0.274 550 P C -0.476 176.812 177.300 -0.020 0.000 1.231 550 P CA -0.505 62.615 63.100 0.033 0.000 0.790 550 P CB 0.662 32.385 31.700 0.039 0.000 0.951 551 L N 3.032 124.210 121.223 -0.074 0.000 2.385 551 L HA 0.068 4.408 4.340 -0.000 0.000 0.281 551 L C 1.217 178.031 176.870 -0.094 0.000 1.106 551 L CA 0.293 55.063 54.840 -0.118 0.000 0.856 551 L CB -0.592 41.355 42.059 -0.187 0.000 1.186 551 L HN 0.325 nan 8.230 nan 0.000 0.453 552 L N 4.743 125.920 121.223 -0.076 0.000 2.156 552 L HA 0.057 4.397 4.340 -0.000 0.000 0.208 552 L C 1.490 178.319 176.870 -0.070 0.000 1.095 552 L CA 0.597 55.408 54.840 -0.047 0.000 0.770 552 L CB -0.544 41.503 42.059 -0.021 0.000 0.914 552 L HN 0.838 nan 8.230 nan 0.000 0.439 553 A N 0.664 123.420 122.820 -0.107 0.000 2.540 553 A HA 0.078 4.398 4.320 -0.000 0.000 0.239 553 A C 0.311 177.820 177.584 -0.125 0.000 1.061 553 A CA -0.096 51.864 52.037 -0.127 0.000 0.758 553 A CB 0.016 18.916 19.000 -0.167 0.000 0.991 553 A HN 0.070 nan 8.150 nan 0.000 0.502 554 K N 1.041 121.373 120.400 -0.114 0.000 2.440 554 K HA 0.064 4.384 4.320 -0.000 0.000 0.270 554 K C 0.605 177.132 176.600 -0.121 0.000 0.980 554 K CA 0.360 56.585 56.287 -0.102 0.000 0.953 554 K CB 0.347 32.793 32.500 -0.090 0.000 0.925 554 K HN 0.795 nan 8.250 nan 0.000 0.497 555 E N 0.636 120.773 120.200 -0.106 0.000 2.376 555 E HA 0.118 4.467 4.350 -0.000 0.000 0.266 555 E C 0.437 176.969 176.600 -0.112 0.000 1.009 555 E CA 0.814 57.147 56.400 -0.111 0.000 0.902 555 E CB 0.094 29.741 29.700 -0.087 0.000 0.972 555 E HN 0.700 nan 8.360 nan 0.000 0.439 556 G N 3.155 111.876 108.800 -0.132 0.000 2.176 556 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.253 556 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.253 556 G C 0.196 175.003 174.900 -0.155 0.000 0.979 556 G CA 0.378 45.398 45.100 -0.134 0.000 0.641 556 G HN 0.807 nan 8.290 nan 0.000 0.530 557 S N -0.643 114.954 115.700 -0.171 0.000 2.645 557 S HA 0.682 5.152 4.470 -0.000 0.000 0.266 557 S C 1.595 176.048 174.600 -0.245 0.000 1.258 557 S CA -0.113 57.974 58.200 -0.188 0.000 0.990 557 S CB 1.722 64.812 63.200 -0.184 0.000 0.967 557 S HN 0.441 nan 8.310 nan 0.000 0.556 558 L N 0.799 121.868 121.223 -0.258 0.000 1.990 558 L HA -0.126 4.214 4.340 -0.000 0.000 0.213 558 L C 2.550 179.169 176.870 -0.418 0.000 1.072 558 L CA 1.555 56.200 54.840 -0.325 0.000 0.755 558 L CB -0.585 41.295 42.059 -0.298 0.000 0.889 558 L HN 0.692 nan 8.230 nan 0.000 0.432 559 V N -0.233 119.409 119.914 -0.453 0.000 2.295 559 V HA -0.309 3.811 4.120 -0.000 0.000 0.246 559 V C 2.679 178.575 176.094 -0.329 0.000 1.049 559 V CA 1.833 63.888 62.300 -0.408 0.000 1.024 559 V CB -0.856 30.767 31.823 -0.334 0.000 0.648 559 V HN 0.565 nan 8.190 nan 0.000 0.447 560 A N -0.491 122.149 122.820 -0.300 0.000 1.972 560 A HA -0.201 4.119 4.320 -0.000 0.000 0.219 560 A C 2.281 179.689 177.584 -0.293 0.000 1.169 560 A CA 1.718 53.583 52.037 -0.287 0.000 0.635 560 A CB -0.344 18.517 19.000 -0.231 0.000 0.810 560 A HN 0.560 nan 8.150 nan 0.000 0.446 561 K N -0.619 119.589 120.400 -0.320 0.000 2.116 561 K HA -0.029 4.291 4.320 -0.000 0.000 0.203 561 K C 1.974 178.288 176.600 -0.478 0.000 1.052 561 K CA 1.091 57.154 56.287 -0.374 0.000 0.952 561 K CB -0.123 32.118 32.500 -0.432 0.000 0.729 561 K HN 0.392 nan 8.250 nan 0.000 0.446 562 R N 0.300 120.525 120.500 -0.459 0.000 2.275 562 R HA 0.086 4.426 4.340 -0.000 0.000 0.199 562 R C 0.549 176.834 176.300 -0.026 0.000 0.989 562 R CA 0.430 56.322 56.100 -0.346 0.000 1.016 562 R CB 0.369 30.557 30.300 -0.186 0.000 0.918 562 R HN -0.000 nan 8.270 nan 0.000 0.473 563 A N 1.481 124.167 122.820 -0.223 0.000 3.258 563 A HA 0.284 4.604 4.320 -0.000 0.000 0.318 563 A C -2.008 175.176 177.584 -0.667 0.000 0.990 563 A CA -1.155 50.587 52.037 -0.491 0.000 0.885 563 A CB 0.583 19.147 19.000 -0.726 0.000 1.090 563 A HN -0.080 nan 8.150 nan 0.000 0.479 564 P HA -0.172 nan 4.420 nan 0.000 0.219 564 P C 1.358 178.554 177.300 -0.174 0.000 1.146 564 P CA 1.112 64.092 63.100 -0.200 0.000 0.808 564 P CB -0.210 31.456 31.700 -0.058 0.000 0.779 565 W N 0.079 121.337 121.300 -0.069 0.000 2.519 565 W HA 0.239 4.899 4.660 -0.000 0.000 0.266 565 W C 1.561 178.079 176.519 -0.001 0.000 1.253 565 W CA 0.572 57.890 57.345 -0.046 0.000 1.274 565 W CB -1.703 27.712 29.460 -0.076 0.000 1.114 565 W HN -0.079 nan 8.180 nan 0.000 0.596 566 A N 1.205 123.587 122.820 -0.730 0.000 2.119 566 A HA -0.045 4.274 4.320 -0.000 0.000 0.217 566 A C 2.081 179.504 177.584 -0.268 0.000 1.153 566 A CA 1.433 53.124 52.037 -0.576 0.000 0.692 566 A CB -0.767 17.624 19.000 -1.015 0.000 0.799 566 A HN 0.213 nan 8.150 nan 0.000 0.458 567 S N -0.571 114.978 115.700 -0.253 0.000 2.474 567 S HA -0.018 4.452 4.470 -0.000 0.000 0.235 567 S C 0.192 174.507 174.600 -0.475 0.000 0.997 567 S CA 0.746 58.748 58.200 -0.331 0.000 0.949 567 S CB -0.273 62.714 63.200 -0.354 0.000 0.766 567 S HN 0.796 nan 8.310 nan 0.000 0.517 568 H N -1.309 117.764 119.070 0.005 0.000 2.768 568 H HA 0.411 4.967 4.556 -0.000 0.000 0.371 568 H C 0.651 176.034 175.328 0.093 0.000 1.151 568 H CA -0.522 55.558 56.048 0.054 0.000 1.165 568 H CB 1.433 31.212 29.762 0.029 0.000 1.722 568 H HN -0.126 nan 8.280 nan 0.000 0.543 569 S N 0.619 116.474 115.700 0.258 0.000 2.402 569 S HA 0.008 4.478 4.470 -0.000 0.000 0.229 569 S C 0.498 175.178 174.600 0.134 0.000 1.021 569 S CA 0.615 58.946 58.200 0.219 0.000 0.974 569 S CB 0.292 63.714 63.200 0.370 0.000 0.800 569 S HN 0.250 nan 8.310 nan 0.000 0.484 570 V N 2.545 122.464 119.914 0.009 0.000 2.709 570 V HA 0.430 4.550 4.120 -0.000 0.000 0.308 570 V C -1.050 174.923 176.094 -0.202 0.000 1.062 570 V CA -0.951 61.198 62.300 -0.252 0.000 0.901 570 V CB 2.057 33.455 31.823 -0.710 0.000 1.003 570 V HN 0.248 nan 8.190 nan 0.000 0.425 571 N N 3.030 121.602 118.700 -0.213 0.000 2.410 571 N HA 0.591 5.331 4.740 -0.000 0.000 0.287 571 N C -1.492 173.934 175.510 -0.140 0.000 1.044 571 N CA -0.307 52.671 53.050 -0.121 0.000 0.881 571 N CB 2.755 41.281 38.487 0.065 0.000 1.405 571 N HN 0.344 nan 8.380 nan 0.000 0.490 572 V N 2.183 122.008 119.914 -0.148 0.000 2.443 572 V HA 0.478 4.598 4.120 -0.000 0.000 0.293 572 V C 0.152 176.281 176.094 0.058 0.000 1.021 572 V CA -0.774 61.508 62.300 -0.030 0.000 0.848 572 V CB 1.607 33.430 31.823 0.000 0.000 0.998 572 V HN 0.482 nan 8.190 nan 0.000 0.424 573 V N 3.429 123.427 119.914 0.140 0.000 3.074 573 V HA 0.811 4.931 4.120 -0.000 0.000 0.314 573 V C -2.722 173.427 176.094 0.091 0.000 1.117 573 V CA -2.785 59.584 62.300 0.115 0.000 1.014 573 V CB 2.333 34.250 31.823 0.156 0.000 1.057 573 V HN 0.604 nan 8.190 nan 0.000 0.438 574 P HA 0.136 nan 4.420 nan 0.000 0.272 574 P C -1.152 176.144 177.300 -0.007 0.000 1.223 574 P CA 0.155 63.283 63.100 0.047 0.000 0.784 574 P CB 0.312 32.032 31.700 0.034 0.000 0.923 575 Y N 2.615 122.882 120.300 -0.055 0.000 2.411 575 Y HA 0.318 4.868 4.550 -0.000 0.000 0.333 575 Y C 0.127 175.953 175.900 -0.122 0.000 1.186 575 Y CA 0.666 58.706 58.100 -0.101 0.000 1.381 575 Y CB 0.605 39.021 38.460 -0.074 0.000 1.273 575 Y HN 0.259 nan 8.280 nan 0.000 0.546 576 K N 3.683 123.316 120.400 -1.279 0.000 2.546 576 K HA 0.261 4.581 4.320 -0.000 0.000 0.264 576 K C -1.701 174.203 176.600 -1.160 0.000 0.937 576 K CA -0.707 55.069 56.287 -0.850 0.000 0.833 576 K CB 1.286 33.483 32.500 -0.506 0.000 1.378 576 K HN 0.620 nan 8.250 nan 0.000 0.432 577 D N 2.196 122.271 120.400 -0.542 0.000 2.399 577 D HA 0.074 4.714 4.640 -0.000 0.000 0.241 577 D C -0.038 176.071 176.300 -0.317 0.000 1.133 577 D CA 0.691 54.511 54.000 -0.300 0.000 0.890 577 D CB 0.473 41.240 40.800 -0.055 0.000 1.201 577 D HN 0.557 nan 8.370 nan 0.000 0.432 578 N N 1.093 119.637 118.700 -0.259 0.000 2.782 578 N HA -0.222 4.518 4.740 -0.000 0.000 0.251 578 N C -0.449 174.869 175.510 -0.319 0.000 1.101 578 N CA 0.525 53.422 53.050 -0.254 0.000 0.764 578 N CB -0.818 37.561 38.487 -0.180 0.000 1.122 578 N HN 0.450 nan 8.380 nan 0.000 0.561 579 R N 0.837 121.035 120.500 -0.503 0.000 3.171 579 R HA 0.335 4.675 4.340 -0.000 0.000 0.241 579 R C 1.262 177.223 176.300 -0.565 0.000 1.421 579 R CA -0.139 55.495 56.100 -0.775 0.000 1.444 579 R CB 0.326 29.812 30.300 -1.357 0.000 1.247 579 R HN 0.213 nan 8.270 nan 0.000 0.636 580 L N 0.640 121.635 121.223 -0.381 0.000 2.435 580 L HA 0.197 4.537 4.340 -0.000 0.000 0.195 580 L C -0.086 176.615 176.870 -0.281 0.000 1.072 580 L CA 0.388 54.912 54.840 -0.526 0.000 0.833 580 L CB 0.098 41.422 42.059 -1.225 0.000 1.081 580 L HN 0.343 nan 8.230 nan 0.000 0.485 581 Y N 0.878 121.320 120.300 0.235 0.000 2.518 581 Y HA 0.263 4.813 4.550 -0.000 0.000 0.344 581 Y C -1.653 174.256 175.900 0.014 0.000 0.982 581 Y CA -3.325 54.834 58.100 0.098 0.000 1.234 581 Y CB -0.217 38.211 38.460 -0.054 0.000 1.114 581 Y HN -0.036 nan 8.280 nan 0.000 0.515 582 P HA -0.147 nan 4.420 nan 0.000 0.218 582 P C 0.736 177.929 177.300 -0.178 0.000 1.146 582 P CA 1.544 64.410 63.100 -0.390 0.000 0.813 582 P CB 0.395 31.759 31.700 -0.560 0.000 0.778 583 S N -1.244 114.460 115.700 0.007 0.000 2.574 583 S HA 0.498 4.968 4.470 -0.000 0.000 0.242 583 S C 0.679 175.185 174.600 -0.157 0.000 0.982 583 S CA 0.224 58.498 58.200 0.125 0.000 0.977 583 S CB -0.313 63.096 63.200 0.349 0.000 0.814 583 S HN 0.424 nan 8.310 nan 0.000 0.464 584 G N 1.456 110.091 108.800 -0.275 0.000 2.707 584 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.686 584 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.686 584 G C -0.387 174.410 174.900 -0.173 0.000 1.315 584 G CA -0.427 44.466 45.100 -0.345 0.000 0.832 584 G HN 0.229 nan 8.290 nan 0.000 0.573 585 D N -0.096 120.184 120.400 -0.200 0.000 2.194 585 D HA 0.048 4.687 4.640 -0.000 0.000 0.204 585 D C 0.781 176.747 176.300 -0.557 0.000 0.964 585 D CA 1.307 55.132 54.000 -0.291 0.000 0.846 585 D CB 0.025 40.628 40.800 -0.328 0.000 0.962 585 D HN 0.486 nan 8.370 nan 0.000 0.490 586 H N 0.421 119.453 119.070 -0.064 0.000 2.736 586 H HA 0.236 4.792 4.556 -0.000 0.000 0.271 586 H C 1.014 176.319 175.328 -0.038 0.000 1.184 586 H CA -0.283 55.745 56.048 -0.034 0.000 1.378 586 H CB 1.419 31.172 29.762 -0.013 0.000 1.428 586 H HN -0.206 nan 8.280 nan 0.000 0.500 587 V N 3.567 123.508 119.914 0.046 0.000 2.346 587 V HA -0.041 4.078 4.120 -0.000 0.000 0.244 587 V C -1.551 174.639 176.094 0.160 0.000 1.037 587 V CA 0.638 62.999 62.300 0.102 0.000 1.029 587 V CB -1.086 30.761 31.823 0.040 0.000 0.663 587 V HN 0.449 nan 8.190 nan 0.000 0.454 588 P HA -0.005 nan 4.420 nan 0.000 0.261 588 P C 0.360 177.769 177.300 0.182 0.000 1.173 588 P CA 0.920 64.077 63.100 0.094 0.000 0.760 588 P CB 0.033 31.758 31.700 0.041 0.000 0.783 589 Q N -1.704 118.229 119.800 0.222 0.000 2.305 589 Q HA -0.241 4.099 4.340 -0.000 0.000 0.203 589 Q C -0.183 176.070 176.000 0.422 0.000 0.663 589 Q CA 0.605 56.607 55.803 0.332 0.000 1.389 589 Q CB -1.738 27.146 28.738 0.243 0.000 1.566 589 Q HN 0.542 nan 8.270 nan 0.000 0.755 590 W N 1.906 123.275 121.300 0.115 0.000 2.253 590 W HA 0.253 4.913 4.660 -0.000 0.000 0.322 590 W C 1.275 177.675 176.519 -0.199 0.000 1.342 590 W CA 0.199 57.547 57.345 0.004 0.000 1.218 590 W CB 0.552 30.003 29.460 -0.015 0.000 1.205 590 W HN 0.119 nan 8.180 nan 0.000 0.551 591 S N 3.516 118.731 115.700 -0.808 0.000 2.489 591 S HA 0.123 4.593 4.470 -0.000 0.000 0.228 591 S C 1.582 175.350 174.600 -1.386 0.000 0.995 591 S CA 0.810 58.145 58.200 -1.442 0.000 0.934 591 S CB -0.366 62.251 63.200 -0.971 0.000 0.771 591 S HN 1.718 nan 8.310 nan 0.000 0.522 592 G N 0.622 108.058 108.800 -2.275 0.000 2.176 592 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.232 592 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.232 592 G C -0.442 173.832 174.900 -1.044 0.000 0.986 592 G CA 0.090 43.872 45.100 -2.197 0.000 0.643 592 G HN 0.564 nan 8.290 nan 0.000 0.522 593 D N 1.105 121.131 120.400 -0.622 0.000 2.210 593 D HA 0.561 5.201 4.640 -0.000 0.000 0.249 593 D C 0.723 177.152 176.300 0.214 0.000 1.078 593 D CA 1.457 55.372 54.000 -0.143 0.000 0.875 593 D CB 1.364 42.092 40.800 -0.119 0.000 1.175 593 D HN 1.368 nan 8.370 nan 0.000 0.440 594 G N 0.086 108.999 108.800 0.187 0.000 2.428 594 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.681 594 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.681 594 G C -1.020 173.975 174.900 0.158 0.000 1.340 594 G CA -0.981 44.243 45.100 0.206 0.000 0.915 594 G HN 0.331 nan 8.290 nan 0.000 0.645 595 V N 2.260 122.204 119.914 0.049 0.000 2.258 595 V HA 0.610 4.730 4.120 -0.000 0.000 0.258 595 V C 0.794 176.829 176.094 -0.099 0.000 1.121 595 V CA 0.488 62.778 62.300 -0.016 0.000 0.942 595 V CB -0.384 31.430 31.823 -0.016 0.000 1.170 595 V HN 1.001 nan 8.190 nan 0.000 0.487 596 R N 2.350 122.736 120.500 -0.189 0.000 2.817 596 R HA 0.868 5.208 4.340 -0.000 0.000 0.268 596 R C 0.485 176.471 176.300 -0.524 0.000 1.027 596 R CA -0.118 55.772 56.100 -0.349 0.000 0.928 596 R CB 1.221 31.228 30.300 -0.488 0.000 1.228 596 R HN 0.720 nan 8.270 nan 0.000 0.469 597 G N 1.092 109.476 108.800 -0.692 0.000 2.574 597 G HA2 -0.434 3.526 3.960 -0.000 0.000 0.282 597 G HA3 -0.434 3.526 3.960 -0.000 0.000 0.282 597 G C 0.551 174.356 174.900 -1.824 0.000 1.257 597 G CA 0.831 45.234 45.100 -1.161 0.000 0.956 597 G HN 0.803 nan 8.290 nan 0.000 0.560 598 M N 0.307 119.040 119.600 -1.445 0.000 2.144 598 M HA -0.050 4.430 4.480 -0.000 0.000 0.260 598 M C 2.409 178.441 176.300 -0.447 0.000 1.067 598 M CA 2.879 57.649 55.300 -0.883 0.000 1.095 598 M CB -0.384 31.993 32.600 -0.372 0.000 1.365 598 M HN 0.631 nan 8.290 nan 0.000 0.406 599 R N -0.435 119.860 120.500 -0.342 0.000 2.092 599 R HA -0.173 4.167 4.340 -0.000 0.000 0.231 599 R C 2.218 178.419 176.300 -0.165 0.000 1.119 599 R CA 1.846 57.846 56.100 -0.165 0.000 0.970 599 R CB -0.334 29.924 30.300 -0.070 0.000 0.864 599 R HN 0.667 nan 8.270 nan 0.000 0.440 600 E N -0.416 119.611 120.200 -0.287 0.000 2.046 600 E HA -0.168 4.182 4.350 -0.000 0.000 0.190 600 E C 1.381 177.985 176.600 0.008 0.000 0.982 600 E CA 1.029 57.336 56.400 -0.154 0.000 0.800 600 E CB -0.086 29.507 29.700 -0.178 0.000 0.756 600 E HN 0.403 nan 8.360 nan 0.000 0.449 601 W N 0.789 122.039 121.300 -0.084 0.000 2.363 601 W HA -0.081 4.579 4.660 -0.000 0.000 0.296 601 W C 2.109 178.591 176.519 -0.063 0.000 1.212 601 W CA 0.293 57.588 57.345 -0.084 0.000 1.260 601 W CB -0.908 28.480 29.460 -0.119 0.000 1.131 601 W HN 0.169 nan 8.180 nan 0.000 0.530 602 I N -0.025 120.615 120.570 0.115 0.000 2.315 602 I HA -0.097 4.073 4.170 -0.000 0.000 0.248 602 I C 2.103 178.240 176.117 0.032 0.000 1.117 602 I CA 1.368 62.697 61.300 0.048 0.000 1.404 602 I CB -1.064 36.932 38.000 -0.006 0.000 1.071 602 I HN 0.083 nan 8.210 nan 0.000 0.419 603 G N 2.327 111.143 108.800 0.025 0.000 2.596 603 G HA2 -0.425 3.534 3.960 -0.000 0.000 0.295 603 G HA3 -0.425 3.534 3.960 -0.000 0.000 0.295 603 G C 0.401 175.305 174.900 0.007 0.000 1.240 603 G CA 0.705 45.816 45.100 0.019 0.000 0.985 603 G HN 0.538 nan 8.290 nan 0.000 0.555 604 D N 0.901 121.307 120.400 0.010 0.000 2.328 604 D HA 0.392 5.032 4.640 -0.000 0.000 0.226 604 D C 1.818 178.119 176.300 0.002 0.000 1.066 604 D CA 1.173 55.176 54.000 0.005 0.000 0.861 604 D CB -0.378 40.427 40.800 0.008 0.000 0.912 604 D HN 2.143 nan 8.370 nan 0.000 0.521 605 G N 0.251 109.052 108.800 0.002 0.000 2.184 605 G HA2 -0.377 3.583 3.960 -0.000 0.000 0.264 605 G HA3 -0.377 3.583 3.960 -0.000 0.000 0.264 605 G C 1.162 176.064 174.900 0.004 0.000 0.975 605 G CA 0.846 45.942 45.100 -0.007 0.000 0.642 605 G HN 0.741 nan 8.290 nan 0.000 0.536 606 S N -0.455 115.253 115.700 0.013 0.000 2.558 606 S HA 0.335 4.805 4.470 -0.000 0.000 0.217 606 S C 0.660 175.276 174.600 0.028 0.000 0.975 606 S CA 0.776 58.988 58.200 0.021 0.000 0.912 606 S CB 0.372 63.584 63.200 0.020 0.000 0.776 606 S HN 0.597 nan 8.310 nan 0.000 0.526 607 E N 2.517 122.735 120.200 0.030 0.000 2.398 607 E HA 0.236 4.586 4.350 -0.000 0.000 0.263 607 E C -0.149 176.477 176.600 0.044 0.000 1.046 607 E CA -0.316 56.105 56.400 0.035 0.000 0.908 607 E CB 0.247 29.968 29.700 0.036 0.000 0.963 607 E HN 0.438 nan 8.360 nan 0.000 0.431 608 N N 2.221 120.949 118.700 0.046 0.000 2.513 608 N HA 0.034 4.774 4.740 -0.000 0.000 0.268 608 N C -0.099 175.450 175.510 0.064 0.000 1.180 608 N CA 0.139 53.223 53.050 0.056 0.000 0.948 608 N CB 0.396 38.912 38.487 0.049 0.000 1.083 608 N HN 0.586 nan 8.380 nan 0.000 0.455 609 I N -1.602 119.018 120.570 0.084 0.000 3.966 609 I HA 0.416 4.586 4.170 -0.000 0.000 0.324 609 I C -0.458 175.715 176.117 0.093 0.000 1.517 609 I CA -0.527 60.832 61.300 0.098 0.000 1.117 609 I CB 0.238 38.316 38.000 0.130 0.000 1.190 609 I HN 0.275 nan 8.210 nan 0.000 0.466 610 D N 2.655 123.099 120.400 0.074 0.000 2.373 610 D HA 0.242 4.882 4.640 -0.000 0.000 0.227 610 D C 0.194 176.500 176.300 0.010 0.000 1.091 610 D CA 0.034 54.062 54.000 0.046 0.000 0.840 610 D CB 0.436 41.282 40.800 0.077 0.000 1.060 610 D HN 0.381 nan 8.370 nan 0.000 0.502 611 N N 3.182 121.856 118.700 -0.043 0.000 2.726 611 N HA -0.193 4.546 4.740 -0.000 0.000 0.253 611 N C -1.029 174.473 175.510 -0.014 0.000 1.059 611 N CA 0.897 53.920 53.050 -0.045 0.000 0.701 611 N CB -0.727 37.747 38.487 -0.021 0.000 0.899 611 N HN 0.576 nan 8.380 nan 0.000 0.548 612 T N -2.349 112.200 114.554 -0.008 0.000 2.598 612 T HA 0.305 4.655 4.350 -0.000 0.000 0.289 612 T C -1.352 173.354 174.700 0.010 0.000 1.056 612 T CA -0.864 61.242 62.100 0.010 0.000 1.088 612 T CB 0.948 69.835 68.868 0.033 0.000 1.519 612 T HN -0.047 nan 8.240 nan 0.000 0.488 613 D N 1.563 121.980 120.400 0.028 0.000 2.280 613 D HA 0.569 5.208 4.640 -0.000 0.000 0.243 613 D C -0.021 176.345 176.300 0.109 0.000 1.129 613 D CA -0.274 53.742 54.000 0.028 0.000 0.848 613 D CB 0.761 41.560 40.800 -0.002 0.000 1.107 613 D HN 0.682 nan 8.370 nan 0.000 0.471 614 I N -1.814 118.822 120.570 0.110 0.000 3.108 614 I HA 0.602 4.771 4.170 -0.000 0.000 0.312 614 I C -1.203 175.016 176.117 0.170 0.000 1.095 614 I CA -1.152 60.236 61.300 0.146 0.000 1.000 614 I CB 2.045 40.130 38.000 0.142 0.000 1.229 614 I HN 0.016 nan 8.210 nan 0.000 0.454 615 L N 2.846 124.171 121.223 0.170 0.000 2.381 615 L HA 0.478 4.818 4.340 -0.000 0.000 0.274 615 L C -1.490 175.498 176.870 0.197 0.000 0.988 615 L CA -0.469 54.447 54.840 0.127 0.000 0.824 615 L CB 2.246 44.378 42.059 0.121 0.000 1.263 615 L HN 0.529 nan 8.230 nan 0.000 0.410 616 F N 3.975 123.872 119.950 -0.088 0.000 2.375 616 F HA 0.521 5.048 4.527 -0.000 0.000 0.361 616 F C -0.986 174.731 175.800 -0.138 0.000 1.117 616 F CA -0.694 57.300 58.000 -0.011 0.000 1.037 616 F CB 0.665 39.656 39.000 -0.016 0.000 1.192 616 F HN 0.112 nan 8.300 nan 0.000 0.452 617 F N 5.452 125.454 119.950 0.087 0.000 2.388 617 F HA 0.273 4.799 4.527 -0.000 0.000 0.358 617 F C -0.183 175.714 175.800 0.162 0.000 1.122 617 F CA -0.681 57.409 58.000 0.149 0.000 1.056 617 F CB 0.696 39.765 39.000 0.116 0.000 1.155 617 F HN 0.426 nan 8.300 nan 0.000 0.461 618 H N 1.651 120.908 119.070 0.312 0.000 2.476 618 H HA 0.466 5.022 4.556 -0.000 0.000 0.328 618 H C -0.782 174.766 175.328 0.368 0.000 1.073 618 H CA -0.584 55.624 56.048 0.267 0.000 1.229 618 H CB 1.150 31.084 29.762 0.286 0.000 1.432 618 H HN 0.509 nan 8.280 nan 0.000 0.477 619 T N 7.552 122.099 114.554 -0.012 0.000 2.749 619 T HA 0.422 4.772 4.350 -0.000 0.000 0.287 619 T C -0.862 173.741 174.700 -0.163 0.000 0.970 619 T CA -0.367 61.776 62.100 0.072 0.000 0.980 619 T CB -0.287 68.726 68.868 0.242 0.000 0.924 619 T HN 0.496 nan 8.240 nan 0.000 0.456 620 F N 0.326 120.188 119.950 -0.147 0.000 2.664 620 F HA 0.969 5.496 4.527 -0.000 0.000 0.317 620 F C 0.140 176.071 175.800 0.219 0.000 1.108 620 F CA -0.867 57.097 58.000 -0.059 0.000 0.957 620 F CB 1.131 40.058 39.000 -0.122 0.000 1.365 620 F HN 0.875 nan 8.300 nan 0.000 0.475 621 G N 0.332 109.255 108.800 0.205 0.000 2.356 621 G HA2 0.426 4.386 3.960 -0.000 0.000 0.266 621 G HA3 0.426 4.386 3.960 -0.000 0.000 0.266 621 G C -1.996 173.020 174.900 0.193 0.000 1.312 621 G CA -0.344 44.892 45.100 0.226 0.000 0.922 621 G HN 1.545 nan 8.290 nan 0.000 0.480 622 I N -2.965 117.701 120.570 0.161 0.000 3.074 622 I HA 0.847 5.017 4.170 -0.000 0.000 0.310 622 I C -0.836 175.294 176.117 0.022 0.000 1.153 622 I CA -1.036 60.316 61.300 0.086 0.000 0.993 622 I CB 2.316 40.343 38.000 0.044 0.000 1.237 622 I HN 0.444 nan 8.210 nan 0.000 0.443 623 T N 1.411 115.942 114.554 -0.039 0.000 2.788 623 T HA 0.286 4.636 4.350 -0.000 0.000 0.296 623 T C -0.724 173.803 174.700 -0.289 0.000 1.009 623 T CA -0.065 61.912 62.100 -0.206 0.000 0.949 623 T CB -0.265 68.493 68.868 -0.183 0.000 0.946 623 T HN 0.569 nan 8.240 nan 0.000 0.453 624 H N 3.335 122.071 119.070 -0.557 0.000 2.705 624 H HA 0.328 4.884 4.556 -0.000 0.000 0.291 624 H C -0.959 173.976 175.328 -0.656 0.000 1.085 624 H CA -0.920 54.817 56.048 -0.518 0.000 1.357 624 H CB 0.183 29.633 29.762 -0.520 0.000 1.419 624 H HN 0.405 nan 8.280 nan 0.000 0.462 625 F N 6.870 126.901 119.950 0.136 0.000 2.293 625 F HA 0.266 4.793 4.527 -0.000 0.000 0.370 625 F C -1.869 173.984 175.800 0.087 0.000 1.090 625 F CA -2.554 55.476 58.000 0.049 0.000 1.133 625 F CB 0.706 39.741 39.000 0.058 0.000 1.360 625 F HN 0.548 nan 8.300 nan 0.000 0.489 626 P HA 0.248 nan 4.420 nan 0.000 0.267 626 P C -0.753 176.642 177.300 0.158 0.000 1.195 626 P CA 0.033 63.185 63.100 0.086 0.000 0.773 626 P CB 0.751 32.473 31.700 0.036 0.000 0.837 627 A N 3.400 126.318 122.820 0.163 0.000 2.587 627 A HA 0.579 4.898 4.320 -0.000 0.000 0.293 627 A C -2.188 175.477 177.584 0.136 0.000 1.087 627 A CA -1.343 50.774 52.037 0.133 0.000 0.692 627 A CB 0.817 19.898 19.000 0.135 0.000 1.291 627 A HN 0.236 nan 8.150 nan 0.000 0.407 628 P HA -0.186 nan 4.420 nan 0.000 0.217 628 P C 0.822 178.228 177.300 0.177 0.000 1.148 628 P CA 1.705 64.894 63.100 0.149 0.000 0.834 628 P CB 0.279 32.051 31.700 0.119 0.000 0.783 629 E N -0.651 119.632 120.200 0.139 0.000 2.209 629 E HA -0.176 4.174 4.350 -0.000 0.000 0.196 629 E C 1.372 178.053 176.600 0.135 0.000 0.993 629 E CA 1.158 57.630 56.400 0.120 0.000 0.819 629 E CB -0.779 28.977 29.700 0.094 0.000 0.745 629 E HN 0.374 nan 8.360 nan 0.000 0.477 630 D N -0.989 119.523 120.400 0.186 0.000 2.363 630 D HA -0.025 4.615 4.640 -0.000 0.000 0.220 630 D C -0.149 176.293 176.300 0.236 0.000 0.994 630 D CA 0.417 54.542 54.000 0.209 0.000 0.890 630 D CB 0.089 41.068 40.800 0.297 0.000 0.906 630 D HN 0.075 nan 8.370 nan 0.000 0.530 631 F N 1.161 121.139 119.950 0.047 0.000 2.538 631 F HA 0.307 4.834 4.527 -0.000 0.000 0.325 631 F C -1.676 174.139 175.800 0.025 0.000 1.066 631 F CA -2.355 55.660 58.000 0.025 0.000 0.946 631 F CB 2.122 41.146 39.000 0.041 0.000 1.199 631 F HN -0.314 nan 8.300 nan 0.000 0.473 632 P HA 0.050 nan 4.420 nan 0.000 0.240 632 P C -0.417 176.519 177.300 -0.606 0.000 1.190 632 P CA 0.892 63.197 63.100 -1.324 0.000 0.781 632 P CB 1.086 32.234 31.700 -0.920 0.000 0.931 633 L N 0.515 121.509 121.223 -0.382 0.000 2.409 633 L HA 0.475 4.815 4.340 -0.000 0.000 0.272 633 L C -0.402 176.333 176.870 -0.225 0.000 0.980 633 L CA -1.136 53.429 54.840 -0.458 0.000 0.826 633 L CB 2.647 44.211 42.059 -0.824 0.000 1.268 633 L HN -0.145 nan 8.230 nan 0.000 0.407 634 M N 6.651 126.168 119.600 -0.138 0.000 2.180 634 M HA 0.444 4.924 4.480 -0.000 0.000 0.358 634 M C -2.346 173.918 176.300 -0.060 0.000 1.233 634 M CA -1.202 54.081 55.300 -0.027 0.000 1.114 634 M CB 1.362 34.017 32.600 0.091 0.000 1.594 634 M HN 0.260 nan 8.290 nan 0.000 0.467 635 P HA 0.117 nan 4.420 nan 0.000 0.271 635 P C -1.169 176.097 177.300 -0.057 0.000 1.216 635 P CA -0.086 62.985 63.100 -0.049 0.000 0.771 635 P CB 0.634 32.319 31.700 -0.024 0.000 0.864 636 A N 2.896 125.673 122.820 -0.071 0.000 2.566 636 A HA -0.032 4.288 4.320 -0.000 0.000 0.245 636 A C 0.437 177.966 177.584 -0.091 0.000 1.056 636 A CA 0.442 52.428 52.037 -0.085 0.000 0.757 636 A CB -0.590 18.368 19.000 -0.070 0.000 0.979 636 A HN 0.577 nan 8.150 nan 0.000 0.508 637 E N 3.923 124.047 120.200 -0.127 0.000 2.156 637 E HA 0.434 4.784 4.350 -0.000 0.000 0.279 637 E C -2.482 174.042 176.600 -0.127 0.000 0.965 637 E CA -2.257 54.062 56.400 -0.134 0.000 0.789 637 E CB 1.457 31.035 29.700 -0.203 0.000 1.098 637 E HN 0.536 nan 8.360 nan 0.000 0.397 638 P HA 0.313 nan 4.420 nan 0.000 0.282 638 P C -0.721 176.537 177.300 -0.070 0.000 1.249 638 P CA -0.219 62.830 63.100 -0.085 0.000 0.806 638 P CB 1.247 32.900 31.700 -0.078 0.000 0.984 639 I N 0.767 121.296 120.570 -0.069 0.000 2.656 639 I HA 0.462 4.632 4.170 -0.000 0.000 0.292 639 I C -0.167 175.900 176.117 -0.083 0.000 1.144 639 I CA -0.452 60.828 61.300 -0.033 0.000 1.038 639 I CB 2.602 40.605 38.000 0.005 0.000 1.244 639 I HN 0.307 nan 8.210 nan 0.000 0.420 640 T N 6.678 121.173 114.554 -0.099 0.000 2.853 640 T HA 0.744 5.094 4.350 -0.000 0.000 0.311 640 T C -1.945 172.614 174.700 -0.236 0.000 1.307 640 T CA -0.542 61.445 62.100 -0.190 0.000 1.019 640 T CB 1.791 70.571 68.868 -0.146 0.000 1.264 640 T HN 0.646 nan 8.240 nan 0.000 0.497 641 L N 3.190 124.225 121.223 -0.312 0.000 2.582 641 L HA 0.882 5.222 4.340 -0.000 0.000 0.257 641 L C -1.771 174.964 176.870 -0.225 0.000 0.974 641 L CA -1.174 53.501 54.840 -0.276 0.000 0.851 641 L CB 2.141 43.935 42.059 -0.442 0.000 1.424 641 L HN 1.025 nan 8.230 nan 0.000 0.412 642 M N 2.266 121.782 119.600 -0.140 0.000 2.569 642 M HA 0.675 5.155 4.480 -0.000 0.000 0.279 642 M C -2.329 173.951 176.300 -0.034 0.000 1.253 642 M CA -0.759 54.483 55.300 -0.097 0.000 0.867 642 M CB 2.718 35.279 32.600 -0.066 0.000 1.727 642 M HN 0.607 nan 8.290 nan 0.000 0.467 643 L N 2.680 123.924 121.223 0.034 0.000 2.342 643 L HA 0.625 4.965 4.340 -0.000 0.000 0.276 643 L C -0.764 176.227 176.870 0.201 0.000 0.997 643 L CA -0.519 54.422 54.840 0.168 0.000 0.838 643 L CB 1.777 44.016 42.059 0.299 0.000 1.224 643 L HN 0.748 nan 8.230 nan 0.000 0.416 644 R N 3.989 124.495 120.500 0.011 0.000 2.532 644 R HA 0.540 4.879 4.340 -0.000 0.000 0.295 644 R C -2.615 173.298 176.300 -0.646 0.000 0.968 644 R CA -1.934 54.051 56.100 -0.192 0.000 0.916 644 R CB 1.215 31.453 30.300 -0.103 0.000 1.124 644 R HN 0.268 nan 8.270 nan 0.000 0.463 645 P HA 0.175 nan 4.420 nan 0.000 0.281 645 P C -0.988 176.085 177.300 -0.378 0.000 1.252 645 P CA -0.371 62.079 63.100 -1.084 0.000 0.778 645 P CB 1.007 32.246 31.700 -0.769 0.000 0.895 646 R N 2.997 123.359 120.500 -0.231 0.000 2.510 646 R HA 0.265 4.605 4.340 -0.000 0.000 0.294 646 R C 0.408 176.695 176.300 -0.022 0.000 1.056 646 R CA -0.616 55.391 56.100 -0.156 0.000 0.918 646 R CB 0.264 30.527 30.300 -0.060 0.000 1.187 646 R HN 0.690 nan 8.270 nan 0.000 0.437 647 H N 0.865 119.947 119.070 0.020 0.000 3.237 647 H HA -0.215 4.341 4.556 -0.000 0.000 0.231 647 H C 0.677 175.999 175.328 -0.010 0.000 1.148 647 H CA 1.221 57.277 56.048 0.013 0.000 1.155 647 H CB -1.211 28.549 29.762 -0.003 0.000 1.210 647 H HN 0.542 nan 8.280 nan 0.000 0.317 648 F N 0.545 120.401 119.950 -0.156 0.000 2.179 648 F HA 0.158 4.685 4.527 -0.000 0.000 0.292 648 F C 1.004 176.529 175.800 -0.458 0.000 1.089 648 F CA 0.712 58.504 58.000 -0.347 0.000 1.295 648 F CB 0.217 38.871 39.000 -0.578 0.000 1.041 648 F HN -0.063 nan 8.300 nan 0.000 0.487 649 F N -0.315 119.699 119.950 0.106 0.000 2.457 649 F HA 0.259 4.786 4.527 -0.000 0.000 0.330 649 F C 1.630 177.400 175.800 -0.050 0.000 1.069 649 F CA -0.268 57.734 58.000 0.004 0.000 1.009 649 F CB 0.600 39.613 39.000 0.022 0.000 1.276 649 F HN -0.232 nan 8.300 nan 0.000 0.492 650 T N -2.975 111.658 114.554 0.133 0.000 3.086 650 T HA 0.280 4.630 4.350 -0.000 0.000 0.250 650 T C -0.257 174.528 174.700 0.141 0.000 1.074 650 T CA 0.162 62.253 62.100 -0.015 0.000 0.988 650 T CB -0.697 67.966 68.868 -0.341 0.000 0.988 650 T HN 0.732 nan 8.240 nan 0.000 0.530 651 E N -0.196 120.085 120.200 0.135 0.000 2.398 651 E HA 0.200 4.550 4.350 -0.000 0.000 0.280 651 E C -1.392 175.199 176.600 -0.015 0.000 1.122 651 E CA -1.196 55.247 56.400 0.072 0.000 0.873 651 E CB -0.245 29.495 29.700 0.067 0.000 1.294 651 E HN -0.128 nan 8.360 nan 0.000 0.435 652 N N 2.474 121.128 118.700 -0.076 0.000 2.160 652 N HA -0.060 4.680 4.740 -0.000 0.000 0.283 652 N C -1.196 174.206 175.510 -0.181 0.000 1.363 652 N CA -0.556 52.407 53.050 -0.145 0.000 0.848 652 N CB 0.608 38.956 38.487 -0.233 0.000 1.127 652 N HN 0.438 nan 8.380 nan 0.000 0.493 653 P HA -0.005 nan 4.420 nan 0.000 0.230 653 P C 0.753 177.957 177.300 -0.160 0.000 1.158 653 P CA 0.751 63.582 63.100 -0.447 0.000 0.769 653 P CB 0.093 31.081 31.700 -1.186 0.000 0.807 654 G N -0.322 108.463 108.800 -0.026 0.000 3.337 654 G HA2 0.106 4.066 3.960 -0.000 0.000 0.246 654 G HA3 0.106 4.066 3.960 -0.000 0.000 0.246 654 G C 1.261 176.313 174.900 0.253 0.000 1.131 654 G CA -0.196 44.988 45.100 0.141 0.000 0.773 654 G HN 0.173 nan 8.290 nan 0.000 0.544 655 L N 0.951 122.233 121.223 0.098 0.000 2.362 655 L HA 0.003 4.343 4.340 -0.000 0.000 0.219 655 L C 1.871 178.813 176.870 0.119 0.000 1.134 655 L CA 0.976 55.864 54.840 0.080 0.000 0.807 655 L CB -0.053 41.966 42.059 -0.067 0.000 0.927 655 L HN 0.273 nan 8.230 nan 0.000 0.447 656 D N -0.073 120.393 120.400 0.110 0.000 2.319 656 D HA 0.038 4.678 4.640 -0.000 0.000 0.230 656 D C 0.585 176.928 176.300 0.071 0.000 1.094 656 D CA 0.016 54.072 54.000 0.094 0.000 0.856 656 D CB -0.132 40.753 40.800 0.141 0.000 0.915 656 D HN 0.229 nan 8.370 nan 0.000 0.517 657 I N 1.522 122.147 120.570 0.091 0.000 2.395 657 I HA 0.014 4.184 4.170 -0.000 0.000 0.289 657 I C 0.636 176.784 176.117 0.051 0.000 1.023 657 I CA -0.746 60.582 61.300 0.046 0.000 1.350 657 I CB 1.035 39.052 38.000 0.028 0.000 1.409 657 I HN -0.255 nan 8.210 nan 0.000 0.507 658 Q N 6.839 126.651 119.800 0.021 0.000 2.262 658 Q HA 0.088 4.427 4.340 -0.000 0.000 0.298 658 Q C -2.145 173.866 176.000 0.019 0.000 1.083 658 Q CA -1.091 54.723 55.803 0.020 0.000 0.962 658 Q CB -0.079 28.663 28.738 0.007 0.000 1.104 658 Q HN 0.311 nan 8.270 nan 0.000 0.376 659 P HA -0.041 nan 4.420 nan 0.000 0.269 659 P C 0.530 177.846 177.300 0.028 0.000 1.215 659 P CA 0.090 63.212 63.100 0.038 0.000 0.780 659 P CB 0.638 32.372 31.700 0.056 0.000 0.898 660 S N 0.663 116.387 115.700 0.040 0.000 2.501 660 S HA 0.046 4.516 4.470 -0.000 0.000 0.220 660 S C 0.012 174.703 174.600 0.152 0.000 0.997 660 S CA 0.425 58.663 58.200 0.064 0.000 0.919 660 S CB -0.469 62.757 63.200 0.043 0.000 0.778 660 S HN 0.535 nan 8.310 nan 0.000 0.523 661 Y N 0.122 120.427 120.300 0.007 0.000 2.480 661 Y HA 0.568 5.118 4.550 -0.000 0.000 0.329 661 Y C -1.481 174.436 175.900 0.029 0.000 1.127 661 Y CA -0.743 57.366 58.100 0.015 0.000 1.037 661 Y CB 1.276 39.742 38.460 0.011 0.000 1.320 661 Y HN 0.248 nan 8.280 nan 0.000 0.446 662 A N 5.934 128.321 122.820 -0.722 0.000 2.491 662 A HA 0.723 5.043 4.320 -0.000 0.000 0.293 662 A C -2.052 175.217 177.584 -0.524 0.000 1.047 662 A CA -0.425 51.357 52.037 -0.426 0.000 0.735 662 A CB 1.270 20.173 19.000 -0.162 0.000 1.281 662 A HN 0.723 nan 8.150 nan 0.000 0.398 663 M N 2.165 121.577 119.600 -0.314 0.000 2.213 663 M HA 0.494 4.974 4.480 -0.000 0.000 0.286 663 M C -0.195 176.072 176.300 -0.055 0.000 1.008 663 M CA 0.271 55.466 55.300 -0.176 0.000 0.937 663 M CB 2.040 34.588 32.600 -0.087 0.000 1.600 663 M HN 0.680 nan 8.290 nan 0.000 0.450 664 T N 2.361 116.886 114.554 -0.049 0.000 2.868 664 T HA 0.200 4.550 4.350 -0.000 0.000 0.292 664 T C 1.111 175.803 174.700 -0.013 0.000 1.028 664 T CA 0.027 62.113 62.100 -0.023 0.000 1.059 664 T CB 1.020 69.872 68.868 -0.027 0.000 0.991 664 T HN 0.836 nan 8.240 nan 0.000 0.531 665 T N 2.002 116.549 114.554 -0.011 0.000 2.684 665 T HA -0.143 4.207 4.350 -0.000 0.000 0.267 665 T C 2.345 177.035 174.700 -0.018 0.000 1.036 665 T CA 1.912 64.001 62.100 -0.017 0.000 1.148 665 T CB -0.485 68.367 68.868 -0.026 0.000 0.863 665 T HN 0.784 nan 8.240 nan 0.000 0.436 666 S N 1.333 117.022 115.700 -0.018 0.000 2.399 666 S HA -0.117 4.353 4.470 -0.000 0.000 0.231 666 S C 1.862 176.453 174.600 -0.015 0.000 1.022 666 S CA 1.215 59.404 58.200 -0.017 0.000 0.983 666 S CB -0.405 62.785 63.200 -0.017 0.000 0.803 666 S HN 0.577 nan 8.310 nan 0.000 0.480 667 E N 1.591 121.781 120.200 -0.017 0.000 2.072 667 E HA 0.046 4.396 4.350 -0.000 0.000 0.191 667 E C 2.472 179.067 176.600 -0.007 0.000 0.985 667 E CA 0.929 57.320 56.400 -0.016 0.000 0.801 667 E CB -0.428 29.254 29.700 -0.029 0.000 0.750 667 E HN 0.694 nan 8.360 nan 0.000 0.452 668 A N 1.659 124.477 122.820 -0.002 0.000 1.940 668 A HA -0.240 4.080 4.320 -0.000 0.000 0.219 668 A C 1.918 179.504 177.584 0.003 0.000 1.176 668 A CA 1.457 53.500 52.037 0.010 0.000 0.631 668 A CB -0.283 18.726 19.000 0.014 0.000 0.814 668 A HN 0.047 nan 8.150 nan 0.000 0.446 669 K N -0.571 119.825 120.400 -0.006 0.000 2.001 669 K HA -0.180 4.140 4.320 -0.000 0.000 0.208 669 K C 2.343 178.940 176.600 -0.005 0.000 1.048 669 K CA 1.605 57.887 56.287 -0.009 0.000 0.932 669 K CB -0.279 32.213 32.500 -0.014 0.000 0.715 669 K HN 0.659 nan 8.250 nan 0.000 0.437 670 R N 1.164 121.661 120.500 -0.005 0.000 2.148 670 R HA -0.012 4.328 4.340 -0.000 0.000 0.227 670 R C 1.865 178.165 176.300 0.000 0.000 1.103 670 R CA 1.275 57.372 56.100 -0.004 0.000 0.983 670 R CB -0.284 30.012 30.300 -0.006 0.000 0.874 670 R HN 0.078 nan 8.270 nan 0.000 0.451 671 A N 0.952 123.774 122.820 0.004 0.000 2.248 671 A HA 0.231 4.551 4.320 -0.000 0.000 0.210 671 A C 0.310 177.900 177.584 0.011 0.000 1.174 671 A CA 0.765 52.808 52.037 0.010 0.000 0.750 671 A CB -0.159 18.853 19.000 0.020 0.000 0.780 671 A HN 0.267 nan 8.150 nan 0.000 0.478 672 V N 0.000 119.918 119.914 0.006 0.000 2.409 672 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 672 V CA 0.000 62.303 62.300 0.004 0.000 1.235 672 V CB 0.000 31.827 31.823 0.007 0.000 1.184 672 V HN 0.000 nan 8.190 nan 0.000 0.556