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 1axr_1_A DATA FIRST_RESID 14 DATA SEQUENCE SVRGLAGVEN VTELKKNFNR HLHFTLVKDR NVATPRDYYF ALAHTVRDHL DATA SEQUENCE VGRWIRTQQH YYEKDPKRIY YLSLEFYMGR TLQNTMVNLA LENACDEATY DATA SEQUENCE QLGLDMEELE EIEEDAGLGN GGLGRLAACF LDSMATLGLA AYGYGIRYEF DATA SEQUENCE GIFNQKICGG WQMEEADDWL RYGNPWEKAR PEFTLPVHFY GRVEHTSQGA DATA SEQUENCE KWVDTQVVLA MPYDTPVPGY RNNVVNTMRL WSAKAPNDFN LKDFNVGGYI DATA SEQUENCE QAVLDRNLAE NISRVLYPND NFFEGKELRL KQEYFVVAAT LQDIIRRFKS DATA SEQUENCE SKFGCRDPVR TNFDAFPDKV AIQLNDTHPS LAIPELMRVL VDLERLDWDK DATA SEQUENCE AWEVTVKTCA YTNHTVLPEA LERWPVHLLE TLLPRHLQII YEINQRFLNR DATA SEQUENCE VAAAFPGDVD RLRRMSLVEE GAVKRINMAH LCIAGSHAVN GVARIHSEIL DATA SEQUENCE KKTIFKDFYE LEPHKFQNKT NGITPRRWLV LCNPGLAEII AERIGEEYIS DATA SEQUENCE DLDQLRKLLS YVDDEAFIRD VAKVKQENKL KFAAYLEREY KVHINPNSLF DATA SEQUENCE DVQVKRIHEY KRQLLNCLHV ITLYNRIKKE PNKFVVPRTV MIGGKAAPGY DATA SEQUENCE HMAKMIIKLI TAIGDVVNHD PVVGDRLRVI FLENYRVSLA EKVIPAADLS DATA SEQUENCE EQISTAGTEA SGTGNMKFML NGALTIGTMD GANVEMAEEA GEENFFIFGM DATA SEQUENCE RVEDVDRLDQ RGYNAQEYYD RIPELRQIIE QLSSGFFSPK QPDLFKDIVN DATA SEQUENCE MLMHHDRFKV FADYEEYVKC QERVSALYKN PREWTRMVIR NIATSGKFSS DATA SEQUENCE DRTIAQYARE IWGVEPSRQR LPAPDEKIP 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 14 S HA 0.000 nan 4.470 nan 0.000 0.327 14 S C 0.000 174.608 174.600 0.013 0.000 1.055 14 S CA 0.000 58.211 58.200 0.018 0.000 1.107 14 S CB 0.000 63.210 63.200 0.016 0.000 0.593 15 V N 3.110 123.038 119.914 0.023 0.000 2.112 15 V HA 0.214 4.325 4.120 -0.016 0.000 0.271 15 V C 0.899 177.003 176.094 0.016 0.000 1.465 15 V CA -0.140 62.171 62.300 0.017 0.000 1.419 15 V CB -0.737 31.101 31.823 0.025 0.000 1.409 15 V HN 0.738 nan 8.190 nan 0.000 0.495 16 R N 2.182 122.686 120.500 0.007 0.000 2.547 16 R HA 0.471 4.801 4.340 -0.016 0.000 0.258 16 R C 1.075 177.366 176.300 -0.014 0.000 1.115 16 R CA 0.414 56.516 56.100 0.002 0.000 1.152 16 R CB 0.224 30.522 30.300 -0.003 0.000 1.221 16 R HN 0.768 nan 8.270 nan 0.000 0.539 17 G N -0.082 108.708 108.800 -0.016 0.000 2.373 17 G HA2 -0.130 3.821 3.960 -0.016 0.000 0.634 17 G HA3 -0.130 3.821 3.960 -0.016 0.000 0.634 17 G C -1.627 173.259 174.900 -0.024 0.000 1.267 17 G CA -1.141 43.940 45.100 -0.031 0.000 1.008 17 G HN -0.033 nan 8.290 nan 0.000 0.497 18 L N 0.470 121.677 121.223 -0.028 0.000 2.331 18 L HA 0.770 5.100 4.340 -0.016 0.000 0.275 18 L C 1.091 177.950 176.870 -0.019 0.000 1.022 18 L CA -0.051 54.777 54.840 -0.020 0.000 0.812 18 L CB 1.343 43.392 42.059 -0.017 0.000 1.257 18 L HN 1.514 nan 8.230 nan 0.000 0.435 19 A N 2.227 125.039 122.820 -0.013 0.000 3.249 19 A HA 0.542 4.853 4.320 -0.016 0.000 0.297 19 A C 0.817 178.401 177.584 0.000 0.000 1.302 19 A CA -0.325 51.707 52.037 -0.008 0.000 1.074 19 A CB -0.632 18.362 19.000 -0.011 0.000 1.132 19 A HN 0.798 nan 8.150 nan 0.000 0.575 20 G N -0.367 108.434 108.800 0.001 0.000 2.321 20 G HA2 0.254 4.204 3.960 -0.016 0.000 0.237 20 G HA3 0.254 4.204 3.960 -0.016 0.000 0.237 20 G C 1.109 176.019 174.900 0.016 0.000 1.282 20 G CA 0.315 45.420 45.100 0.008 0.000 0.886 20 G HN 0.725 nan 8.290 nan 0.000 0.528 21 V N 2.024 121.949 119.914 0.017 0.000 2.287 21 V HA -0.175 3.936 4.120 -0.016 0.000 0.248 21 V C 2.507 178.618 176.094 0.027 0.000 1.053 21 V CA 2.885 65.198 62.300 0.022 0.000 1.027 21 V CB -0.482 31.353 31.823 0.020 0.000 0.646 21 V HN 0.917 nan 8.190 nan 0.000 0.447 22 E N -0.134 120.082 120.200 0.027 0.000 2.047 22 E HA -0.212 4.128 4.350 -0.016 0.000 0.191 22 E C 2.238 178.864 176.600 0.043 0.000 0.987 22 E CA 1.325 57.745 56.400 0.033 0.000 0.799 22 E CB -0.354 29.364 29.700 0.029 0.000 0.752 22 E HN 0.590 nan 8.360 nan 0.000 0.449 23 N N 0.947 119.672 118.700 0.041 0.000 2.104 23 N HA -0.147 4.584 4.740 -0.016 0.000 0.190 23 N C 1.929 177.473 175.510 0.057 0.000 1.024 23 N CA 1.020 54.102 53.050 0.054 0.000 0.853 23 N CB -0.022 38.486 38.487 0.036 0.000 1.008 23 N HN -0.005 nan 8.380 nan 0.000 0.424 24 V N 1.157 121.095 119.914 0.040 0.000 2.332 24 V HA -0.249 3.861 4.120 -0.016 0.000 0.248 24 V C 2.553 178.675 176.094 0.047 0.000 1.055 24 V CA 2.303 64.626 62.300 0.038 0.000 1.038 24 V CB -1.163 30.680 31.823 0.033 0.000 0.651 24 V HN 0.593 nan 8.190 nan 0.000 0.450 25 T N -1.519 113.064 114.554 0.048 0.000 2.821 25 T HA -0.214 4.126 4.350 -0.016 0.000 0.267 25 T C 1.735 176.478 174.700 0.070 0.000 1.046 25 T CA 1.539 63.669 62.100 0.050 0.000 1.139 25 T CB -0.275 68.618 68.868 0.042 0.000 0.871 25 T HN 0.449 nan 8.240 nan 0.000 0.454 26 E N 1.410 121.659 120.200 0.081 0.000 2.106 26 E HA 0.026 4.367 4.350 -0.016 0.000 0.192 26 E C 2.034 178.719 176.600 0.141 0.000 0.984 26 E CA 0.810 57.271 56.400 0.102 0.000 0.806 26 E CB -0.706 29.055 29.700 0.103 0.000 0.750 26 E HN 0.579 nan 8.360 nan 0.000 0.458 27 L N 0.444 121.756 121.223 0.147 0.000 1.989 27 L HA -0.204 4.126 4.340 -0.016 0.000 0.211 27 L C 2.498 179.486 176.870 0.196 0.000 1.071 27 L CA 1.765 56.715 54.840 0.184 0.000 0.749 27 L CB -0.464 41.670 42.059 0.125 0.000 0.890 27 L HN 0.084 nan 8.230 nan 0.000 0.431 28 K N 0.060 120.536 120.400 0.125 0.000 2.152 28 K HA -0.245 4.065 4.320 -0.016 0.000 0.206 28 K C 2.106 178.832 176.600 0.209 0.000 1.048 28 K CA 1.386 57.746 56.287 0.123 0.000 0.933 28 K CB -0.178 32.346 32.500 0.039 0.000 0.721 28 K HN 0.262 nan 8.250 nan 0.000 0.447 29 K N 1.717 122.217 120.400 0.168 0.000 1.985 29 K HA -0.159 4.151 4.320 -0.016 0.000 0.210 29 K C 1.595 178.322 176.600 0.210 0.000 1.047 29 K CA 1.926 58.308 56.287 0.159 0.000 0.932 29 K CB -0.111 32.458 32.500 0.114 0.000 0.716 29 K HN 0.095 nan 8.250 nan 0.000 0.439 30 N N -0.314 118.526 118.700 0.234 0.000 2.289 30 N HA -0.147 4.583 4.740 -0.016 0.000 0.184 30 N C 1.534 177.295 175.510 0.419 0.000 1.016 30 N CA 1.157 54.385 53.050 0.297 0.000 0.872 30 N CB -0.174 38.485 38.487 0.286 0.000 0.973 30 N HN 0.187 nan 8.380 nan 0.000 0.433 31 F N 1.771 121.855 119.950 0.222 0.000 2.146 31 F HA -0.064 4.454 4.527 -0.016 0.000 0.298 31 F C 1.885 177.814 175.800 0.216 0.000 1.096 31 F CA 1.205 59.330 58.000 0.208 0.000 1.275 31 F CB -0.093 38.997 39.000 0.150 0.000 1.008 31 F HN 0.025 nan 8.300 nan 0.000 0.480 32 N N 0.460 119.378 118.700 0.363 0.000 2.270 32 N HA -0.151 4.579 4.740 -0.016 0.000 0.181 32 N C 2.080 177.662 175.510 0.120 0.000 1.016 32 N CA 0.840 54.019 53.050 0.214 0.000 0.870 32 N CB -0.500 38.111 38.487 0.207 0.000 0.979 32 N HN 0.383 nan 8.380 nan 0.000 0.431 33 R N 0.574 121.174 120.500 0.166 0.000 2.073 33 R HA -0.110 4.221 4.340 -0.016 0.000 0.234 33 R C 1.552 177.944 176.300 0.154 0.000 1.134 33 R CA 1.462 57.679 56.100 0.195 0.000 0.952 33 R CB -0.260 30.135 30.300 0.159 0.000 0.850 33 R HN 0.301 nan 8.270 nan 0.000 0.433 34 H N 0.065 119.177 119.070 0.070 0.000 2.423 34 H HA -0.106 4.440 4.556 -0.016 0.000 0.297 34 H C 1.738 177.012 175.328 -0.090 0.000 1.075 34 H CA 1.469 57.505 56.048 -0.020 0.000 1.342 34 H CB 0.018 29.745 29.762 -0.058 0.000 1.395 34 H HN 0.136 nan 8.280 nan 0.000 0.530 35 L N -0.237 120.972 121.223 -0.022 0.000 2.046 35 L HA -0.156 4.175 4.340 -0.016 0.000 0.208 35 L C 2.219 179.050 176.870 -0.066 0.000 1.077 35 L CA 1.836 56.612 54.840 -0.106 0.000 0.747 35 L CB -0.484 41.479 42.059 -0.159 0.000 0.896 35 L HN 0.290 nan 8.230 nan 0.000 0.432 36 H N -1.396 117.570 119.070 -0.173 0.000 2.265 36 H HA -0.093 4.453 4.556 -0.016 0.000 0.305 36 H C 1.868 177.003 175.328 -0.322 0.000 1.054 36 H CA 2.434 58.295 56.048 -0.312 0.000 1.296 36 H CB -0.459 29.002 29.762 -0.501 0.000 1.395 36 H HN 0.255 nan 8.280 nan 0.000 0.502 37 F N 0.109 120.018 119.950 -0.068 0.000 2.113 37 F HA -0.124 4.394 4.527 -0.016 0.000 0.297 37 F C 2.794 178.482 175.800 -0.186 0.000 1.103 37 F CA 1.704 59.607 58.000 -0.161 0.000 1.248 37 F CB -0.867 38.070 39.000 -0.105 0.000 0.999 37 F HN 0.217 nan 8.300 nan 0.000 0.475 38 T N 0.133 114.689 114.554 0.004 0.000 2.896 38 T HA -0.017 4.324 4.350 -0.016 0.000 0.263 38 T C 1.828 176.434 174.700 -0.157 0.000 1.050 38 T CA 0.857 62.885 62.100 -0.122 0.000 1.140 38 T CB -0.107 68.642 68.868 -0.199 0.000 0.877 38 T HN -0.015 nan 8.240 nan 0.000 0.457 39 L N 0.571 121.716 121.223 -0.130 0.000 2.463 39 L HA 0.279 4.610 4.340 -0.016 0.000 0.219 39 L C 0.892 177.681 176.870 -0.136 0.000 1.088 39 L CA 0.467 55.230 54.840 -0.130 0.000 0.849 39 L CB -0.891 41.108 42.059 -0.099 0.000 1.012 39 L HN 0.081 nan 8.230 nan 0.000 0.468 40 V N 0.534 120.345 119.914 -0.171 0.000 5.961 40 V HA -0.274 3.837 4.120 -0.016 0.000 0.311 40 V C 0.541 176.535 176.094 -0.167 0.000 0.552 40 V CA 0.921 63.092 62.300 -0.215 0.000 0.641 40 V CB -1.995 29.723 31.823 -0.175 0.000 0.286 40 V HN 0.384 nan 8.190 nan 0.000 0.939 41 K N 1.294 121.602 120.400 -0.154 0.000 2.261 41 K HA 0.832 5.143 4.320 -0.016 0.000 0.242 41 K C -0.421 176.127 176.600 -0.087 0.000 1.083 41 K CA -0.320 55.898 56.287 -0.116 0.000 0.880 41 K CB 2.296 34.719 32.500 -0.128 0.000 1.353 41 K HN 0.621 nan 8.250 nan 0.000 0.486 42 D N -0.980 119.379 120.400 -0.069 0.000 2.837 42 D HA 0.214 4.844 4.640 -0.016 0.000 0.220 42 D C 0.193 176.476 176.300 -0.027 0.000 1.236 42 D CA -0.575 53.411 54.000 -0.022 0.000 0.838 42 D CB 1.370 42.170 40.800 -0.000 0.000 1.647 42 D HN 0.310 nan 8.370 nan 0.000 0.486 43 R N 0.480 120.993 120.500 0.023 0.000 2.244 43 R HA -0.115 4.215 4.340 -0.016 0.000 0.252 43 R C 0.980 177.325 176.300 0.074 0.000 1.177 43 R CA 1.141 57.292 56.100 0.084 0.000 1.004 43 R CB -0.242 30.154 30.300 0.159 0.000 0.873 43 R HN 0.472 nan 8.270 nan 0.000 0.469 44 N N -0.173 118.550 118.700 0.039 0.000 2.313 44 N HA -0.010 4.720 4.740 -0.016 0.000 0.207 44 N C 0.452 175.973 175.510 0.019 0.000 1.141 44 N CA 0.271 53.343 53.050 0.036 0.000 0.830 44 N CB 1.205 39.709 38.487 0.028 0.000 1.008 44 N HN 0.017 nan 8.380 nan 0.000 0.481 45 V N -0.462 119.450 119.914 -0.004 0.000 3.643 45 V HA 0.207 4.317 4.120 -0.016 0.000 0.271 45 V C -0.399 175.665 176.094 -0.051 0.000 1.698 45 V CA -0.085 62.205 62.300 -0.016 0.000 1.113 45 V CB 0.453 32.263 31.823 -0.021 0.000 0.930 45 V HN 0.123 nan 8.190 nan 0.000 0.395 46 A N 1.946 124.691 122.820 -0.124 0.000 2.396 46 A HA 0.578 4.889 4.320 -0.016 0.000 0.279 46 A C 0.742 178.183 177.584 -0.238 0.000 1.165 46 A CA 0.760 52.626 52.037 -0.285 0.000 0.824 46 A CB -0.084 18.553 19.000 -0.605 0.000 1.100 46 A HN 0.652 nan 8.150 nan 0.000 0.516 47 T N 0.959 115.459 114.554 -0.091 0.000 2.816 47 T HA 0.410 4.751 4.350 -0.016 0.000 0.282 47 T C -1.840 172.963 174.700 0.172 0.000 0.993 47 T CA -1.464 60.674 62.100 0.063 0.000 0.994 47 T CB 0.629 69.542 68.868 0.074 0.000 1.025 47 T HN 0.260 nan 8.240 nan 0.000 0.529 48 P HA -0.090 nan 4.420 nan 0.000 0.217 48 P C 1.640 179.112 177.300 0.288 0.000 1.148 48 P CA 0.982 64.285 63.100 0.338 0.000 0.828 48 P CB 0.033 31.842 31.700 0.182 0.000 0.783 49 R N -0.123 120.489 120.500 0.187 0.000 2.066 49 R HA -0.133 4.197 4.340 -0.016 0.000 0.232 49 R C 1.671 178.177 176.300 0.344 0.000 1.131 49 R CA 1.838 58.057 56.100 0.198 0.000 0.955 49 R CB -0.626 29.738 30.300 0.106 0.000 0.851 49 R HN 0.086 nan 8.270 nan 0.000 0.432 50 D N -0.509 120.027 120.400 0.228 0.000 2.117 50 D HA -0.176 4.455 4.640 -0.016 0.000 0.198 50 D C 1.710 178.081 176.300 0.119 0.000 0.982 50 D CA 1.218 55.309 54.000 0.152 0.000 0.828 50 D CB -0.340 40.412 40.800 -0.080 0.000 0.967 50 D HN 0.278 nan 8.370 nan 0.000 0.464 51 Y N 0.074 120.483 120.300 0.182 0.000 2.224 51 Y HA -0.222 4.319 4.550 -0.016 0.000 0.289 51 Y C 2.322 178.370 175.900 0.247 0.000 1.146 51 Y CA 0.588 58.836 58.100 0.247 0.000 1.182 51 Y CB -0.871 37.775 38.460 0.310 0.000 0.983 51 Y HN 0.084 nan 8.280 nan 0.000 0.524 52 Y N -0.753 119.692 120.300 0.242 0.000 2.145 52 Y HA -0.249 4.292 4.550 -0.016 0.000 0.286 52 Y C 1.863 177.738 175.900 -0.042 0.000 1.145 52 Y CA 1.247 59.374 58.100 0.045 0.000 1.148 52 Y CB -1.049 37.315 38.460 -0.160 0.000 0.981 52 Y HN 0.025 nan 8.280 nan 0.000 0.507 53 F N 0.311 120.065 119.950 -0.326 0.000 2.234 53 F HA -0.052 4.465 4.527 -0.016 0.000 0.299 53 F C 2.635 178.290 175.800 -0.242 0.000 1.087 53 F CA 1.204 58.949 58.000 -0.425 0.000 1.340 53 F CB -1.129 37.805 39.000 -0.109 0.000 1.031 53 F HN 0.190 nan 8.300 nan 0.000 0.500 54 A N 0.108 122.901 122.820 -0.045 0.000 1.883 54 A HA -0.174 4.137 4.320 -0.016 0.000 0.217 54 A C 2.310 179.768 177.584 -0.210 0.000 1.186 54 A CA 1.524 53.385 52.037 -0.292 0.000 0.624 54 A CB -1.093 17.307 19.000 -1.000 0.000 0.822 54 A HN 0.394 nan 8.150 nan 0.000 0.444 55 L N -0.850 120.403 121.223 0.049 0.000 1.994 55 L HA -0.191 4.139 4.340 -0.016 0.000 0.208 55 L C 3.070 179.931 176.870 -0.016 0.000 1.071 55 L CA 1.389 56.382 54.840 0.255 0.000 0.745 55 L CB -0.585 41.675 42.059 0.335 0.000 0.892 55 L HN 0.457 nan 8.230 nan 0.000 0.431 56 A N -0.491 122.167 122.820 -0.270 0.000 1.896 56 A HA -0.347 3.964 4.320 -0.016 0.000 0.220 56 A C 1.864 179.145 177.584 -0.505 0.000 1.206 56 A CA 2.395 54.169 52.037 -0.438 0.000 0.647 56 A CB -1.215 17.228 19.000 -0.929 0.000 0.828 56 A HN 0.634 nan 8.150 nan 0.000 0.455 57 H N -0.979 117.852 119.070 -0.399 0.000 2.321 57 H HA -0.064 4.482 4.556 -0.016 0.000 0.300 57 H C 2.449 177.461 175.328 -0.526 0.000 1.087 57 H CA 1.923 57.688 56.048 -0.473 0.000 1.319 57 H CB -0.330 29.105 29.762 -0.545 0.000 1.379 57 H HN 0.490 nan 8.280 nan 0.000 0.501 58 T N 0.058 114.380 114.554 -0.387 0.000 2.699 58 T HA -0.174 4.167 4.350 -0.016 0.000 0.268 58 T C 2.235 177.047 174.700 0.187 0.000 1.036 58 T CA 1.478 63.514 62.100 -0.105 0.000 1.147 58 T CB -0.467 68.493 68.868 0.154 0.000 0.862 58 T HN 0.099 nan 8.240 nan 0.000 0.446 59 V N 1.166 121.198 119.914 0.197 0.000 2.453 59 V HA -0.075 4.036 4.120 -0.016 0.000 0.247 59 V C 2.762 179.073 176.094 0.361 0.000 1.048 59 V CA 1.187 63.682 62.300 0.326 0.000 1.049 59 V CB -0.538 31.433 31.823 0.245 0.000 0.672 59 V HN 0.287 nan 8.190 nan 0.000 0.457 60 R N 0.401 121.035 120.500 0.224 0.000 2.103 60 R HA -0.204 4.126 4.340 -0.016 0.000 0.242 60 R C 2.013 178.438 176.300 0.208 0.000 1.142 60 R CA 2.015 58.249 56.100 0.224 0.000 0.960 60 R CB -0.779 29.530 30.300 0.015 0.000 0.858 60 R HN 0.533 nan 8.270 nan 0.000 0.439 61 D N -0.492 119.993 120.400 0.141 0.000 2.133 61 D HA -0.173 4.457 4.640 -0.016 0.000 0.192 61 D C 1.823 178.137 176.300 0.023 0.000 1.001 61 D CA 1.555 55.590 54.000 0.058 0.000 0.844 61 D CB -0.531 40.240 40.800 -0.048 0.000 0.944 61 D HN 0.487 nan 8.370 nan 0.000 0.447 62 H N -0.169 118.967 119.070 0.109 0.000 2.421 62 H HA 0.029 4.576 4.556 -0.016 0.000 0.298 62 H C 2.231 177.609 175.328 0.083 0.000 1.087 62 H CA 0.520 56.618 56.048 0.083 0.000 1.330 62 H CB -0.218 29.581 29.762 0.061 0.000 1.388 62 H HN 0.108 nan 8.280 nan 0.000 0.526 63 L N 0.166 121.521 121.223 0.220 0.000 2.005 63 L HA -0.180 4.151 4.340 -0.016 0.000 0.207 63 L C 2.626 179.634 176.870 0.229 0.000 1.072 63 L CA 1.264 56.193 54.840 0.149 0.000 0.744 63 L CB -0.535 41.587 42.059 0.106 0.000 0.895 63 L HN 0.342 nan 8.230 nan 0.000 0.433 64 V N -1.389 118.707 119.914 0.303 0.000 2.317 64 V HA -0.243 3.868 4.120 -0.016 0.000 0.251 64 V C 2.255 178.488 176.094 0.232 0.000 1.065 64 V CA 2.197 64.716 62.300 0.366 0.000 1.049 64 V CB -1.822 30.158 31.823 0.261 0.000 0.651 64 V HN 0.453 nan 8.190 nan 0.000 0.450 65 G N 0.378 109.265 108.800 0.145 0.000 2.545 65 G HA2 -0.288 3.663 3.960 -0.016 0.000 0.217 65 G HA3 -0.288 3.663 3.960 -0.016 0.000 0.217 65 G C 1.734 176.688 174.900 0.090 0.000 1.218 65 G CA 1.136 46.290 45.100 0.089 0.000 0.787 65 G HN 0.550 nan 8.290 nan 0.000 0.571 66 R N -1.426 119.130 120.500 0.095 0.000 2.189 66 R HA -0.038 4.292 4.340 -0.016 0.000 0.223 66 R C 2.188 178.557 176.300 0.114 0.000 1.092 66 R CA 0.822 56.959 56.100 0.060 0.000 0.989 66 R CB -0.279 30.036 30.300 0.024 0.000 0.876 66 R HN 0.528 nan 8.270 nan 0.000 0.457 67 W N 1.539 122.809 121.300 -0.050 0.000 2.354 67 W HA -0.106 4.545 4.660 -0.016 0.000 0.315 67 W C 1.560 178.029 176.519 -0.085 0.000 1.206 67 W CA 1.047 58.353 57.345 -0.064 0.000 1.290 67 W CB -0.659 28.792 29.460 -0.016 0.000 1.152 67 W HN -0.054 nan 8.180 nan 0.000 0.489 68 I N 0.209 120.815 120.570 0.061 0.000 2.179 68 I HA -0.312 3.849 4.170 -0.016 0.000 0.242 68 I C 2.730 178.807 176.117 -0.066 0.000 1.088 68 I CA 1.905 63.154 61.300 -0.085 0.000 1.357 68 I CB -0.719 37.252 38.000 -0.049 0.000 1.051 68 I HN -0.103 nan 8.210 nan 0.000 0.409 69 R N 0.351 120.834 120.500 -0.028 0.000 2.096 69 R HA -0.148 4.183 4.340 -0.016 0.000 0.235 69 R C 2.212 178.440 176.300 -0.120 0.000 1.127 69 R CA 1.925 57.997 56.100 -0.046 0.000 0.968 69 R CB -0.210 30.077 30.300 -0.022 0.000 0.861 69 R HN 0.281 nan 8.270 nan 0.000 0.440 70 T N 0.897 115.348 114.554 -0.173 0.000 2.701 70 T HA -0.104 4.236 4.350 -0.016 0.000 0.263 70 T C 1.698 175.967 174.700 -0.718 0.000 1.040 70 T CA 0.964 62.834 62.100 -0.383 0.000 1.147 70 T CB -0.132 68.566 68.868 -0.283 0.000 0.865 70 T HN 0.239 nan 8.240 nan 0.000 0.426 71 Q N 1.289 120.782 119.800 -0.512 0.000 2.096 71 Q HA -0.100 4.230 4.340 -0.016 0.000 0.204 71 Q C 2.401 177.927 176.000 -0.790 0.000 0.982 71 Q CA 1.502 56.943 55.803 -0.603 0.000 0.850 71 Q CB -0.474 28.069 28.738 -0.324 0.000 0.901 71 Q HN 0.645 nan 8.270 nan 0.000 0.422 72 Q N -0.692 118.847 119.800 -0.435 0.000 2.124 72 Q HA -0.203 4.127 4.340 -0.016 0.000 0.202 72 Q C 1.994 177.899 176.000 -0.159 0.000 0.977 72 Q CA 1.405 57.086 55.803 -0.205 0.000 0.850 72 Q CB -0.276 28.478 28.738 0.027 0.000 0.901 72 Q HN 0.532 nan 8.270 nan 0.000 0.429 73 H N -0.377 118.527 119.070 -0.277 0.000 2.353 73 H HA -0.206 4.340 4.556 -0.016 0.000 0.298 73 H C 1.311 176.635 175.328 -0.007 0.000 1.103 73 H CA 1.889 57.849 56.048 -0.147 0.000 1.293 73 H CB -0.008 29.634 29.762 -0.200 0.000 1.372 73 H HN 0.259 nan 8.280 nan 0.000 0.501 74 Y N -0.809 119.409 120.300 -0.136 0.000 2.293 74 Y HA -0.184 4.356 4.550 -0.016 0.000 0.291 74 Y C 2.069 177.924 175.900 -0.075 0.000 1.137 74 Y CA 0.646 58.664 58.100 -0.136 0.000 1.202 74 Y CB -1.096 37.294 38.460 -0.118 0.000 0.990 74 Y HN 0.341 nan 8.280 nan 0.000 0.537 75 Y N 0.427 120.817 120.300 0.150 0.000 2.145 75 Y HA -0.175 4.366 4.550 -0.016 0.000 0.286 75 Y C 2.295 178.212 175.900 0.030 0.000 1.145 75 Y CA 0.934 59.084 58.100 0.084 0.000 1.148 75 Y CB -1.002 37.488 38.460 0.050 0.000 0.981 75 Y HN 0.215 nan 8.280 nan 0.000 0.507 76 E N 0.166 120.449 120.200 0.138 0.000 2.006 76 E HA -0.154 4.187 4.350 -0.016 0.000 0.192 76 E C 2.139 178.729 176.600 -0.016 0.000 0.993 76 E CA 1.155 57.578 56.400 0.038 0.000 0.808 76 E CB -0.131 29.564 29.700 -0.009 0.000 0.764 76 E HN 0.259 nan 8.360 nan 0.000 0.449 77 K N 0.707 121.040 120.400 -0.112 0.000 2.097 77 K HA -0.153 4.157 4.320 -0.016 0.000 0.206 77 K C 0.415 177.006 176.600 -0.015 0.000 1.049 77 K CA 1.069 57.292 56.287 -0.106 0.000 0.933 77 K CB -0.425 31.934 32.500 -0.236 0.000 0.717 77 K HN 0.123 nan 8.250 nan 0.000 0.442 78 D N 0.384 120.802 120.400 0.030 0.000 2.760 78 D HA -0.088 4.543 4.640 -0.016 0.000 0.244 78 D C -2.391 173.930 176.300 0.035 0.000 1.123 78 D CA 0.118 54.159 54.000 0.067 0.000 0.719 78 D CB -0.350 40.496 40.800 0.076 0.000 1.045 78 D HN 0.200 nan 8.370 nan 0.000 0.426 79 P HA 0.178 nan 4.420 nan 0.000 0.278 79 P C -0.048 177.211 177.300 -0.068 0.000 1.258 79 P CA -0.670 62.402 63.100 -0.047 0.000 0.811 79 P CB 0.776 32.413 31.700 -0.104 0.000 1.063 80 K N 1.464 121.826 120.400 -0.063 0.000 2.485 80 K HA 0.016 4.327 4.320 -0.016 0.000 0.277 80 K C 0.007 176.508 176.600 -0.165 0.000 0.990 80 K CA -0.039 56.198 56.287 -0.084 0.000 0.994 80 K CB 0.344 32.808 32.500 -0.061 0.000 0.906 80 K HN 0.302 nan 8.250 nan 0.000 0.488 81 R N 3.734 124.115 120.500 -0.198 0.000 2.460 81 R HA 0.364 4.694 4.340 -0.016 0.000 0.303 81 R C -0.636 175.362 176.300 -0.503 0.000 0.968 81 R CA -0.895 55.004 56.100 -0.335 0.000 0.889 81 R CB 0.687 30.774 30.300 -0.355 0.000 1.123 81 R HN 0.494 nan 8.270 nan 0.000 0.455 82 I N 3.689 123.924 120.570 -0.558 0.000 2.330 82 I HA 0.233 4.393 4.170 -0.016 0.000 0.289 82 I C -0.664 175.153 176.117 -0.501 0.000 1.001 82 I CA -0.479 60.442 61.300 -0.631 0.000 1.193 82 I CB 0.681 38.142 38.000 -0.899 0.000 1.345 82 I HN 0.331 nan 8.210 nan 0.000 0.461 83 Y N 6.053 126.313 120.300 -0.067 0.000 2.369 83 Y HA 0.312 4.852 4.550 -0.016 0.000 0.337 83 Y C -0.525 175.476 175.900 0.168 0.000 0.961 83 Y CA -0.686 57.492 58.100 0.130 0.000 1.186 83 Y CB 0.734 39.218 38.460 0.039 0.000 1.139 83 Y HN 0.427 nan 8.280 nan 0.000 0.494 84 Y N 4.755 125.232 120.300 0.294 0.000 2.676 84 Y HA 0.418 4.958 4.550 -0.016 0.000 0.338 84 Y C -1.104 175.077 175.900 0.469 0.000 1.057 84 Y CA -1.108 57.181 58.100 0.315 0.000 1.314 84 Y CB 0.110 38.758 38.460 0.313 0.000 1.164 84 Y HN 0.482 nan 8.280 nan 0.000 0.509 85 L N 4.683 125.989 121.223 0.139 0.000 2.385 85 L HA 0.315 4.646 4.340 -0.016 0.000 0.281 85 L C 0.053 176.952 176.870 0.049 0.000 1.106 85 L CA 0.300 55.256 54.840 0.193 0.000 0.856 85 L CB 0.663 42.796 42.059 0.123 0.000 1.186 85 L HN 0.546 nan 8.230 nan 0.000 0.453 86 S N 2.928 118.748 115.700 0.200 0.000 2.548 86 S HA 0.513 4.973 4.470 -0.016 0.000 0.276 86 S C 0.098 174.782 174.600 0.140 0.000 1.129 86 S CA -0.574 57.622 58.200 -0.008 0.000 0.931 86 S CB 0.957 63.894 63.200 -0.440 0.000 1.068 86 S HN 0.470 nan 8.310 nan 0.000 0.480 87 L N 3.464 124.800 121.223 0.189 0.000 2.672 87 L HA 0.485 4.815 4.340 -0.016 0.000 0.236 87 L C 0.050 177.085 176.870 0.276 0.000 1.186 87 L CA 0.757 55.764 54.840 0.277 0.000 0.977 87 L CB -0.365 41.852 42.059 0.263 0.000 1.203 87 L HN 0.658 nan 8.230 nan 0.000 0.448 88 E N -1.132 119.115 120.200 0.079 0.000 2.381 88 E HA 0.331 4.671 4.350 -0.016 0.000 0.286 88 E C -1.450 175.004 176.600 -0.242 0.000 0.960 88 E CA -0.432 55.993 56.400 0.041 0.000 0.793 88 E CB 1.726 31.415 29.700 -0.019 0.000 1.225 88 E HN -0.169 nan 8.360 nan 0.000 0.420 89 F N 2.127 122.184 119.950 0.178 0.000 3.094 89 F HA 0.171 4.689 4.527 -0.016 0.000 0.385 89 F C -0.842 175.049 175.800 0.150 0.000 1.231 89 F CA -0.615 57.487 58.000 0.171 0.000 1.207 89 F CB 0.746 39.846 39.000 0.167 0.000 1.703 89 F HN 0.480 nan 8.300 nan 0.000 0.610 90 Y N 4.595 124.973 120.300 0.131 0.000 2.517 90 Y HA 0.095 4.635 4.550 -0.016 0.000 0.341 90 Y C 1.275 177.190 175.900 0.024 0.000 1.247 90 Y CA -0.463 57.660 58.100 0.038 0.000 1.774 90 Y CB 0.202 38.670 38.460 0.013 0.000 1.641 90 Y HN 0.493 nan 8.280 nan 0.000 0.457 91 M N 1.295 121.009 119.600 0.191 0.000 2.288 91 M HA 0.072 4.543 4.480 -0.016 0.000 0.266 91 M C 1.588 177.837 176.300 -0.084 0.000 1.072 91 M CA 1.102 56.419 55.300 0.029 0.000 1.132 91 M CB -1.224 31.372 32.600 -0.007 0.000 1.386 91 M HN 0.676 nan 8.290 nan 0.000 0.432 92 G N 1.116 109.867 108.800 -0.082 0.000 2.645 92 G HA2 -0.281 3.669 3.960 -0.016 0.000 0.246 92 G HA3 -0.281 3.669 3.960 -0.016 0.000 0.246 92 G C -0.144 174.678 174.900 -0.131 0.000 1.322 92 G CA -0.120 44.891 45.100 -0.148 0.000 0.898 92 G HN 0.436 nan 8.290 nan 0.000 0.573 93 R N -1.338 119.078 120.500 -0.141 0.000 2.919 93 R HA 0.507 4.837 4.340 -0.016 0.000 0.284 93 R C 1.640 177.815 176.300 -0.208 0.000 1.104 93 R CA 0.797 56.833 56.100 -0.108 0.000 1.207 93 R CB 0.215 30.454 30.300 -0.102 0.000 1.162 93 R HN 0.942 nan 8.270 nan 0.000 0.561 94 T N -1.314 113.073 114.554 -0.278 0.000 3.147 94 T HA 0.018 4.359 4.350 -0.016 0.000 0.275 94 T C 1.048 175.351 174.700 -0.660 0.000 0.879 94 T CA -0.206 61.553 62.100 -0.568 0.000 0.863 94 T CB 0.098 68.431 68.868 -0.891 0.000 1.236 94 T HN 0.329 nan 8.240 nan 0.000 0.582 95 L N 1.858 122.885 121.223 -0.327 0.000 2.056 95 L HA 0.232 4.563 4.340 -0.016 0.000 0.207 95 L C 2.449 179.263 176.870 -0.092 0.000 1.078 95 L CA 2.403 57.190 54.840 -0.088 0.000 0.749 95 L CB -0.595 41.662 42.059 0.330 0.000 0.901 95 L HN 0.398 nan 8.230 nan 0.000 0.433 96 Q N -0.611 119.135 119.800 -0.090 0.000 2.079 96 Q HA -0.239 4.091 4.340 -0.016 0.000 0.200 96 Q C 2.186 178.109 176.000 -0.129 0.000 0.974 96 Q CA 1.827 57.578 55.803 -0.086 0.000 0.840 96 Q CB -0.290 28.397 28.738 -0.085 0.000 0.898 96 Q HN 0.751 nan 8.270 nan 0.000 0.430 97 N N -1.114 117.472 118.700 -0.190 0.000 2.084 97 N HA -0.150 4.580 4.740 -0.016 0.000 0.190 97 N C 1.452 176.850 175.510 -0.185 0.000 1.030 97 N CA 1.761 54.695 53.050 -0.193 0.000 0.849 97 N CB 0.057 38.396 38.487 -0.246 0.000 1.012 97 N HN 0.191 nan 8.380 nan 0.000 0.423 98 T N 1.508 115.908 114.554 -0.256 0.000 2.652 98 T HA -0.127 4.213 4.350 -0.016 0.000 0.267 98 T C 2.047 176.664 174.700 -0.139 0.000 1.039 98 T CA 1.241 63.202 62.100 -0.231 0.000 1.153 98 T CB -0.201 68.479 68.868 -0.313 0.000 0.863 98 T HN 0.260 nan 8.240 nan 0.000 0.428 99 M N 0.543 120.078 119.600 -0.108 0.000 2.106 99 M HA -0.140 4.330 4.480 -0.016 0.000 0.259 99 M C 2.390 178.636 176.300 -0.091 0.000 1.068 99 M CA 1.459 56.710 55.300 -0.082 0.000 1.100 99 M CB -0.579 31.992 32.600 -0.048 0.000 1.351 99 M HN 0.148 nan 8.290 nan 0.000 0.404 100 V N 0.313 120.179 119.914 -0.079 0.000 2.323 100 V HA -0.216 3.894 4.120 -0.016 0.000 0.244 100 V C 1.635 177.674 176.094 -0.091 0.000 1.041 100 V CA 1.695 63.968 62.300 -0.047 0.000 1.025 100 V CB -0.860 30.967 31.823 0.008 0.000 0.656 100 V HN 0.444 nan 8.190 nan 0.000 0.451 101 N N 0.178 118.825 118.700 -0.088 0.000 2.519 101 N HA -0.049 4.681 4.740 -0.016 0.000 0.186 101 N C 1.314 176.674 175.510 -0.249 0.000 1.062 101 N CA 1.012 53.970 53.050 -0.154 0.000 0.910 101 N CB -0.204 38.235 38.487 -0.080 0.000 0.958 101 N HN 0.447 nan 8.380 nan 0.000 0.445 102 L N -1.475 119.631 121.223 -0.195 0.000 2.664 102 L HA 0.371 4.702 4.340 -0.016 0.000 0.233 102 L C 0.535 177.298 176.870 -0.179 0.000 1.113 102 L CA 0.025 54.762 54.840 -0.173 0.000 0.896 102 L CB 0.131 42.120 42.059 -0.117 0.000 1.163 102 L HN -0.001 nan 8.230 nan 0.000 0.497 103 A N 0.238 122.944 122.820 -0.190 0.000 3.232 103 A HA -0.170 4.140 4.320 -0.016 0.000 0.238 103 A C 0.559 178.074 177.584 -0.115 0.000 1.344 103 A CA 0.478 52.424 52.037 -0.152 0.000 0.875 103 A CB -1.928 16.980 19.000 -0.153 0.000 1.070 103 A HN 0.224 nan 8.150 nan 0.000 0.653 104 L N -0.427 120.724 121.223 -0.120 0.000 2.728 104 L HA 0.298 4.628 4.340 -0.016 0.000 0.238 104 L C 1.743 178.564 176.870 -0.080 0.000 1.143 104 L CA 1.546 56.314 54.840 -0.121 0.000 0.937 104 L CB -0.063 41.884 42.059 -0.187 0.000 1.225 104 L HN 0.617 nan 8.230 nan 0.000 0.507 105 E N -0.052 120.112 120.200 -0.061 0.000 2.072 105 E HA -0.179 4.162 4.350 -0.016 0.000 0.191 105 E C 1.644 178.227 176.600 -0.029 0.000 0.985 105 E CA 1.600 57.977 56.400 -0.038 0.000 0.801 105 E CB 0.148 29.830 29.700 -0.029 0.000 0.750 105 E HN 0.559 nan 8.360 nan 0.000 0.452 106 N N -0.487 118.195 118.700 -0.030 0.000 2.300 106 N HA -0.046 4.684 4.740 -0.016 0.000 0.179 106 N C 1.629 177.127 175.510 -0.020 0.000 1.016 106 N CA 0.616 53.651 53.050 -0.024 0.000 0.876 106 N CB 0.001 38.474 38.487 -0.023 0.000 0.979 106 N HN 0.169 nan 8.380 nan 0.000 0.432 107 A N 0.365 123.169 122.820 -0.026 0.000 1.898 107 A HA -0.106 4.205 4.320 -0.016 0.000 0.216 107 A C 2.310 179.886 177.584 -0.013 0.000 1.181 107 A CA 0.886 52.912 52.037 -0.018 0.000 0.620 107 A CB -0.842 18.141 19.000 -0.029 0.000 0.819 107 A HN 0.420 nan 8.150 nan 0.000 0.442 108 C N -0.748 118.538 119.300 -0.024 0.000 2.435 108 C HA -0.056 4.395 4.460 -0.016 0.000 0.279 108 C C 2.452 177.433 174.990 -0.014 0.000 1.321 108 C CA 1.023 60.031 59.018 -0.017 0.000 1.752 108 C CB -0.991 26.743 27.740 -0.011 0.000 1.959 108 C HN 0.638 nan 8.230 nan 0.000 0.500 109 D N 0.567 120.964 120.400 -0.005 0.000 2.097 109 D HA -0.130 4.500 4.640 -0.016 0.000 0.197 109 D C 2.125 178.453 176.300 0.046 0.000 0.984 109 D CA 1.398 55.403 54.000 0.008 0.000 0.826 109 D CB -0.232 40.566 40.800 -0.003 0.000 0.973 109 D HN 0.474 nan 8.370 nan 0.000 0.460 110 E N 0.422 120.647 120.200 0.042 0.000 2.077 110 E HA -0.117 4.223 4.350 -0.016 0.000 0.193 110 E C 1.884 178.566 176.600 0.136 0.000 0.989 110 E CA 1.520 57.985 56.400 0.108 0.000 0.800 110 E CB -0.345 29.387 29.700 0.053 0.000 0.746 110 E HN 0.225 nan 8.360 nan 0.000 0.452 111 A N -0.117 122.723 122.820 0.033 0.000 1.865 111 A HA -0.242 4.069 4.320 -0.016 0.000 0.217 111 A C 2.539 180.044 177.584 -0.131 0.000 1.191 111 A CA 2.975 54.992 52.037 -0.033 0.000 0.623 111 A CB -1.563 17.413 19.000 -0.041 0.000 0.826 111 A HN 0.522 nan 8.150 nan 0.000 0.444 112 T N -3.254 111.203 114.554 -0.162 0.000 2.867 112 T HA -0.224 4.117 4.350 -0.016 0.000 0.268 112 T C 1.822 176.402 174.700 -0.199 0.000 1.057 112 T CA 1.598 63.530 62.100 -0.281 0.000 1.136 112 T CB -0.631 68.093 68.868 -0.241 0.000 0.874 112 T HN 0.578 nan 8.240 nan 0.000 0.466 113 Y N 2.245 122.461 120.300 -0.139 0.000 2.128 113 Y HA -0.107 4.434 4.550 -0.015 0.000 0.284 113 Y C 2.508 178.351 175.900 -0.095 0.000 1.154 113 Y CA 1.589 59.629 58.100 -0.101 0.000 1.149 113 Y CB -0.708 37.712 38.460 -0.068 0.000 0.976 113 Y HN 0.226 nan 8.280 nan 0.000 0.505 114 Q N -0.585 118.874 119.800 -0.567 0.000 2.291 114 Q HA -0.126 4.204 4.340 -0.016 0.000 0.206 114 Q C 1.692 177.454 176.000 -0.396 0.000 0.976 114 Q CA 1.035 56.503 55.803 -0.558 0.000 0.875 114 Q CB -0.081 28.561 28.738 -0.161 0.000 0.927 114 Q HN 0.402 nan 8.270 nan 0.000 0.450 115 L N -1.535 119.484 121.223 -0.340 0.000 2.446 115 L HA 0.142 4.472 4.340 -0.016 0.000 0.219 115 L C 1.379 178.083 176.870 -0.276 0.000 1.116 115 L CA 1.541 56.219 54.840 -0.271 0.000 0.844 115 L CB -0.226 41.633 42.059 -0.333 0.000 0.970 115 L HN 0.340 nan 8.230 nan 0.000 0.457 116 G N -0.639 107.960 108.800 -0.335 0.000 2.141 116 G HA2 -0.217 3.733 3.960 -0.016 0.000 0.231 116 G HA3 -0.217 3.733 3.960 -0.016 0.000 0.231 116 G C 0.177 174.948 174.900 -0.216 0.000 0.984 116 G CA 0.127 45.071 45.100 -0.261 0.000 0.660 116 G HN 0.252 nan 8.290 nan 0.000 0.525 117 L N 0.423 121.494 121.223 -0.253 0.000 2.334 117 L HA 0.647 4.978 4.340 -0.016 0.000 0.275 117 L C -0.182 176.619 176.870 -0.115 0.000 1.036 117 L CA -1.046 53.651 54.840 -0.238 0.000 0.807 117 L CB 1.547 43.388 42.059 -0.363 0.000 1.231 117 L HN 0.104 nan 8.230 nan 0.000 0.438 118 D N 1.863 122.225 120.400 -0.063 0.000 2.359 118 D HA 0.187 4.818 4.640 -0.016 0.000 0.230 118 D C 0.713 177.015 176.300 0.004 0.000 1.118 118 D CA -0.347 53.648 54.000 -0.009 0.000 0.844 118 D CB 1.444 42.247 40.800 0.005 0.000 1.059 118 D HN 0.505 nan 8.370 nan 0.000 0.493 119 M N 2.925 122.532 119.600 0.011 0.000 2.202 119 M HA -0.185 4.285 4.480 -0.016 0.000 0.262 119 M C 1.340 177.663 176.300 0.039 0.000 1.063 119 M CA 1.725 57.043 55.300 0.030 0.000 1.097 119 M CB 0.146 32.760 32.600 0.024 0.000 1.382 119 M HN 0.444 nan 8.290 nan 0.000 0.413 120 E N 0.253 120.470 120.200 0.027 0.000 2.077 120 E HA -0.258 4.082 4.350 -0.016 0.000 0.193 120 E C 1.796 178.411 176.600 0.025 0.000 0.989 120 E CA 1.935 58.350 56.400 0.024 0.000 0.800 120 E CB -0.174 29.541 29.700 0.024 0.000 0.746 120 E HN 0.790 nan 8.360 nan 0.000 0.452 121 E N 0.121 120.338 120.200 0.028 0.000 2.106 121 E HA -0.196 4.144 4.350 -0.016 0.000 0.192 121 E C 1.787 178.402 176.600 0.025 0.000 0.984 121 E CA 0.782 57.197 56.400 0.025 0.000 0.806 121 E CB -0.182 29.535 29.700 0.028 0.000 0.750 121 E HN 0.116 nan 8.360 nan 0.000 0.458 122 L N 1.639 122.899 121.223 0.063 0.000 2.046 122 L HA -0.116 4.214 4.340 -0.016 0.000 0.208 122 L C 2.222 179.131 176.870 0.065 0.000 1.077 122 L CA 1.835 56.753 54.840 0.130 0.000 0.747 122 L CB -0.674 41.513 42.059 0.213 0.000 0.896 122 L HN 0.158 nan 8.230 nan 0.000 0.432 123 E N -0.817 119.412 120.200 0.048 0.000 2.150 123 E HA -0.180 4.161 4.350 -0.016 0.000 0.193 123 E C 1.779 178.304 176.600 -0.125 0.000 0.985 123 E CA 0.698 57.096 56.400 -0.004 0.000 0.814 123 E CB 0.013 29.722 29.700 0.016 0.000 0.752 123 E HN 0.376 nan 8.360 nan 0.000 0.466 124 E N 0.346 120.489 120.200 -0.094 0.000 2.478 124 E HA -0.100 4.240 4.350 -0.016 0.000 0.198 124 E C 1.731 178.224 176.600 -0.178 0.000 1.046 124 E CA 0.386 56.731 56.400 -0.091 0.000 0.870 124 E CB 0.157 29.848 29.700 -0.016 0.000 0.818 124 E HN 0.315 nan 8.360 nan 0.000 0.527 125 I N 0.691 121.060 120.570 -0.334 0.000 2.406 125 I HA -0.075 4.085 4.170 -0.016 0.000 0.249 125 I C 1.378 177.088 176.117 -0.678 0.000 1.122 125 I CA 0.343 61.355 61.300 -0.480 0.000 1.431 125 I CB -0.656 37.015 38.000 -0.548 0.000 1.087 125 I HN 0.119 nan 8.210 nan 0.000 0.424 126 E N 2.084 121.735 120.200 -0.914 0.000 2.418 126 E HA -0.042 4.299 4.350 -0.016 0.000 0.261 126 E C -0.068 176.426 176.600 -0.176 0.000 1.070 126 E CA 0.104 56.151 56.400 -0.589 0.000 0.931 126 E CB 0.892 30.412 29.700 -0.300 0.000 0.954 126 E HN 0.223 nan 8.360 nan 0.000 0.439 127 E N 1.783 121.994 120.200 0.017 0.000 2.263 127 E HA 0.166 4.506 4.350 -0.016 0.000 0.264 127 E C -1.279 175.399 176.600 0.130 0.000 0.923 127 E CA -0.881 55.579 56.400 0.101 0.000 0.802 127 E CB 1.132 30.957 29.700 0.208 0.000 1.228 127 E HN 0.479 nan 8.360 nan 0.000 0.417 128 D N 1.109 121.552 120.400 0.072 0.000 2.425 128 D HA 0.179 4.810 4.640 -0.016 0.000 0.247 128 D C -0.658 175.579 176.300 -0.105 0.000 1.147 128 D CA 0.243 54.241 54.000 -0.004 0.000 0.879 128 D CB 0.989 41.782 40.800 -0.012 0.000 1.179 128 D HN 0.375 nan 8.370 nan 0.000 0.456 129 A N 3.023 125.713 122.820 -0.216 0.000 3.056 129 A HA 0.407 4.718 4.320 -0.016 0.000 0.274 129 A C 1.137 178.427 177.584 -0.490 0.000 1.661 129 A CA -0.624 51.001 52.037 -0.688 0.000 1.363 129 A CB -0.470 18.288 19.000 -0.404 0.000 1.139 129 A HN 0.624 nan 8.150 nan 0.000 0.598 130 G N 1.251 109.770 108.800 -0.467 0.000 3.284 130 G HA2 0.377 4.327 3.960 -0.016 0.000 0.251 130 G HA3 0.377 4.327 3.960 -0.016 0.000 0.251 130 G C 0.241 174.967 174.900 -0.290 0.000 0.913 130 G CA -0.254 44.721 45.100 -0.208 0.000 1.947 130 G HN 0.485 nan 8.290 nan 0.000 0.635 131 L N 1.688 122.794 121.223 -0.196 0.000 2.919 131 L HA 0.387 4.717 4.340 -0.016 0.000 0.242 131 L C 0.986 177.821 176.870 -0.058 0.000 1.366 131 L CA -0.216 54.631 54.840 0.011 0.000 1.212 131 L CB -1.116 41.084 42.059 0.235 0.000 1.604 131 L HN 0.314 nan 8.230 nan 0.000 0.433 132 G N -0.957 107.606 108.800 -0.395 0.000 2.579 132 G HA2 0.239 4.189 3.960 -0.016 0.000 0.292 132 G HA3 0.239 4.189 3.960 -0.016 0.000 0.292 132 G C 0.221 174.572 174.900 -0.915 0.000 1.484 132 G CA -0.533 44.227 45.100 -0.567 0.000 0.813 132 G HN -0.001 nan 8.290 nan 0.000 0.515 133 N N -0.516 117.873 118.700 -0.518 0.000 2.278 133 N HA 0.162 4.893 4.740 -0.016 0.000 0.181 133 N C 1.316 176.728 175.510 -0.163 0.000 1.023 133 N CA 1.581 54.444 53.050 -0.311 0.000 0.862 133 N CB 0.783 39.228 38.487 -0.071 0.000 1.003 133 N HN 0.839 nan 8.380 nan 0.000 0.431 134 G N -0.779 108.018 108.800 -0.005 0.000 3.074 134 G HA2 0.200 4.150 3.960 -0.016 0.000 0.127 134 G HA3 0.200 4.150 3.960 -0.016 0.000 0.127 134 G C 0.801 175.857 174.900 0.260 0.000 1.216 134 G CA 0.293 45.572 45.100 0.298 0.000 1.390 134 G HN 0.205 nan 8.290 nan 0.000 0.676 135 G N 0.366 109.242 108.800 0.128 0.000 2.469 135 G HA2 -0.070 3.880 3.960 -0.016 0.000 0.219 135 G HA3 -0.070 3.880 3.960 -0.016 0.000 0.219 135 G C 1.845 176.762 174.900 0.030 0.000 1.150 135 G CA 1.760 46.898 45.100 0.064 0.000 0.763 135 G HN 0.596 nan 8.290 nan 0.000 0.561 136 L N 1.477 122.697 121.223 -0.004 0.000 1.989 136 L HA 0.089 4.419 4.340 -0.016 0.000 0.211 136 L C 2.891 179.720 176.870 -0.068 0.000 1.071 136 L CA 2.552 57.327 54.840 -0.109 0.000 0.749 136 L CB -1.070 40.915 42.059 -0.123 0.000 0.890 136 L HN 0.185 nan 8.230 nan 0.000 0.431 137 G N -1.367 107.432 108.800 -0.002 0.000 2.402 137 G HA2 -0.247 3.704 3.960 -0.016 0.000 0.216 137 G HA3 -0.247 3.704 3.960 -0.016 0.000 0.216 137 G C 1.773 176.760 174.900 0.146 0.000 1.162 137 G CA 0.368 45.486 45.100 0.029 0.000 0.777 137 G HN 0.200 nan 8.290 nan 0.000 0.539 138 R N -0.063 120.573 120.500 0.227 0.000 2.115 138 R HA 0.055 4.385 4.340 -0.016 0.000 0.230 138 R C 2.463 178.794 176.300 0.051 0.000 1.111 138 R CA 0.748 56.952 56.100 0.173 0.000 0.976 138 R CB -0.779 29.595 30.300 0.123 0.000 0.870 138 R HN 0.437 nan 8.270 nan 0.000 0.445 139 L N 0.573 121.758 121.223 -0.064 0.000 2.017 139 L HA -0.064 4.266 4.340 -0.016 0.000 0.208 139 L C 2.171 178.780 176.870 -0.436 0.000 1.073 139 L CA 2.296 56.946 54.840 -0.318 0.000 0.745 139 L CB -0.892 40.977 42.059 -0.317 0.000 0.894 139 L HN 0.128 nan 8.230 nan 0.000 0.432 140 A N -0.372 122.357 122.820 -0.152 0.000 1.908 140 A HA -0.144 4.166 4.320 -0.016 0.000 0.218 140 A C 2.455 180.184 177.584 0.242 0.000 1.181 140 A CA 2.043 54.122 52.037 0.071 0.000 0.627 140 A CB -1.250 17.722 19.000 -0.046 0.000 0.818 140 A HN 0.625 nan 8.150 nan 0.000 0.445 141 A N -1.120 121.840 122.820 0.234 0.000 1.902 141 A HA -0.154 4.156 4.320 -0.016 0.000 0.217 141 A C 2.331 180.003 177.584 0.148 0.000 1.181 141 A CA 1.663 53.841 52.037 0.234 0.000 0.623 141 A CB -1.245 17.869 19.000 0.190 0.000 0.818 141 A HN 0.598 nan 8.150 nan 0.000 0.443 142 C N -1.549 117.824 119.300 0.122 0.000 2.453 142 C HA -0.045 4.405 4.460 -0.016 0.000 0.277 142 C C 2.434 177.571 174.990 0.246 0.000 1.262 142 C CA 0.609 59.723 59.018 0.161 0.000 1.718 142 C CB -1.565 26.275 27.740 0.166 0.000 2.031 142 C HN 0.609 nan 8.230 nan 0.000 0.480 143 F N 0.671 120.644 119.950 0.039 0.000 2.091 143 F HA -0.127 4.391 4.527 -0.016 0.000 0.299 143 F C 2.163 177.932 175.800 -0.051 0.000 1.103 143 F CA 1.170 59.141 58.000 -0.047 0.000 1.228 143 F CB -1.529 37.319 39.000 -0.253 0.000 0.984 143 F HN 0.103 nan 8.300 nan 0.000 0.477 144 L N 0.444 121.776 121.223 0.183 0.000 1.971 144 L HA -0.262 4.068 4.340 -0.016 0.000 0.215 144 L C 2.447 179.345 176.870 0.047 0.000 1.072 144 L CA 2.154 57.046 54.840 0.086 0.000 0.758 144 L CB -1.197 40.915 42.059 0.088 0.000 0.889 144 L HN 0.131 nan 8.230 nan 0.000 0.433 145 D N -1.266 119.167 120.400 0.056 0.000 2.133 145 D HA -0.171 4.460 4.640 -0.016 0.000 0.195 145 D C 2.007 178.337 176.300 0.050 0.000 0.997 145 D CA 1.639 55.656 54.000 0.028 0.000 0.840 145 D CB 0.298 41.111 40.800 0.021 0.000 0.947 145 D HN 0.331 nan 8.370 nan 0.000 0.452 146 S N -0.201 115.555 115.700 0.093 0.000 2.368 146 S HA -0.067 4.393 4.470 -0.016 0.000 0.224 146 S C 2.154 176.790 174.600 0.060 0.000 1.029 146 S CA 0.836 59.088 58.200 0.087 0.000 0.988 146 S CB -0.165 63.112 63.200 0.129 0.000 0.838 146 S HN 0.360 nan 8.310 nan 0.000 0.462 147 M N 1.059 120.689 119.600 0.051 0.000 2.267 147 M HA -0.121 4.349 4.480 -0.016 0.000 0.263 147 M C 2.318 178.625 176.300 0.011 0.000 1.063 147 M CA 1.349 56.668 55.300 0.031 0.000 1.090 147 M CB -0.520 32.079 32.600 -0.002 0.000 1.392 147 M HN 0.402 nan 8.290 nan 0.000 0.422 148 A N -0.342 122.481 122.820 0.005 0.000 1.903 148 A HA -0.060 4.251 4.320 -0.016 0.000 0.213 148 A C 2.155 179.746 177.584 0.012 0.000 1.185 148 A CA 1.570 53.603 52.037 -0.006 0.000 0.628 148 A CB -0.827 18.153 19.000 -0.032 0.000 0.830 148 A HN 0.381 nan 8.150 nan 0.000 0.446 149 T N 0.187 114.759 114.554 0.031 0.000 2.915 149 T HA -0.030 4.310 4.350 -0.016 0.000 0.269 149 T C 1.051 175.778 174.700 0.045 0.000 1.071 149 T CA 1.009 63.140 62.100 0.052 0.000 1.132 149 T CB -0.175 68.737 68.868 0.073 0.000 0.878 149 T HN 0.161 nan 8.240 nan 0.000 0.479 150 L N 0.658 121.905 121.223 0.040 0.000 2.629 150 L HA 0.391 4.722 4.340 -0.016 0.000 0.230 150 L C 1.715 178.606 176.870 0.035 0.000 1.151 150 L CA 0.119 54.983 54.840 0.040 0.000 0.924 150 L CB -0.998 41.090 42.059 0.048 0.000 1.137 150 L HN 0.374 nan 8.230 nan 0.000 0.457 151 G N 0.122 108.939 108.800 0.028 0.000 2.283 151 G HA2 -0.297 3.653 3.960 -0.016 0.000 0.280 151 G HA3 -0.297 3.653 3.960 -0.016 0.000 0.280 151 G C 0.339 175.253 174.900 0.023 0.000 1.029 151 G CA 0.192 45.312 45.100 0.032 0.000 0.840 151 G HN 0.316 nan 8.290 nan 0.000 0.505 152 L N -0.013 121.208 121.223 -0.004 0.000 2.326 152 L HA 0.549 4.879 4.340 -0.016 0.000 0.278 152 L C 1.234 177.991 176.870 -0.188 0.000 1.092 152 L CA -0.266 54.533 54.840 -0.069 0.000 0.810 152 L CB 1.501 43.542 42.059 -0.030 0.000 1.153 152 L HN 0.266 nan 8.230 nan 0.000 0.439 153 A N 3.599 126.179 122.820 -0.401 0.000 2.981 153 A HA 0.534 4.845 4.320 -0.016 0.000 0.280 153 A C 0.355 177.656 177.584 -0.473 0.000 1.743 153 A CA -0.122 51.437 52.037 -0.797 0.000 1.430 153 A CB -0.605 17.745 19.000 -1.083 0.000 1.085 153 A HN 0.719 nan 8.150 nan 0.000 0.597 154 A N 1.568 124.167 122.820 -0.369 0.000 2.355 154 A HA 0.795 5.105 4.320 -0.016 0.000 0.324 154 A C -1.168 176.261 177.584 -0.258 0.000 1.117 154 A CA -0.461 51.414 52.037 -0.269 0.000 0.785 154 A CB 0.836 19.712 19.000 -0.206 0.000 1.254 154 A HN 0.596 nan 8.150 nan 0.000 0.453 155 Y N 0.347 120.599 120.300 -0.080 0.000 2.329 155 Y HA 0.516 5.057 4.550 -0.016 0.000 0.328 155 Y C 0.800 176.808 175.900 0.181 0.000 0.992 155 Y CA -0.604 57.534 58.100 0.063 0.000 1.151 155 Y CB 2.202 40.807 38.460 0.241 0.000 1.150 155 Y HN 0.832 nan 8.280 nan 0.000 0.450 156 G N 2.717 111.612 108.800 0.159 0.000 2.333 156 G HA2 0.393 4.343 3.960 -0.016 0.000 0.290 156 G HA3 0.393 4.343 3.960 -0.016 0.000 0.290 156 G C -1.524 173.380 174.900 0.006 0.000 1.150 156 G CA -0.165 45.015 45.100 0.133 0.000 0.895 156 G HN 0.518 nan 8.290 nan 0.000 0.444 157 Y N 1.395 121.877 120.300 0.303 0.000 2.364 157 Y HA 0.629 5.169 4.550 -0.016 0.000 0.340 157 Y C 0.813 177.002 175.900 0.483 0.000 0.975 157 Y CA 0.294 58.566 58.100 0.287 0.000 1.089 157 Y CB 2.631 41.292 38.460 0.335 0.000 1.192 157 Y HN 0.838 nan 8.280 nan 0.000 0.454 158 G N 2.379 111.504 108.800 0.540 0.000 2.753 158 G HA2 0.548 4.499 3.960 -0.016 0.000 0.303 158 G HA3 0.548 4.499 3.960 -0.016 0.000 0.303 158 G C -1.735 173.419 174.900 0.422 0.000 1.242 158 G CA -0.793 44.654 45.100 0.579 0.000 0.810 158 G HN 0.438 nan 8.290 nan 0.000 0.515 159 I N 0.508 121.231 120.570 0.254 0.000 2.493 159 I HA 0.450 4.611 4.170 -0.016 0.000 0.298 159 I C 0.194 176.224 176.117 -0.146 0.000 0.998 159 I CA -0.763 60.563 61.300 0.043 0.000 1.137 159 I CB 2.211 40.029 38.000 -0.303 0.000 1.310 159 I HN 0.344 nan 8.210 nan 0.000 0.445 160 R N 5.787 126.273 120.500 -0.022 0.000 2.408 160 R HA 0.260 4.590 4.340 -0.016 0.000 0.308 160 R C -1.389 174.909 176.300 -0.004 0.000 1.210 160 R CA -0.482 55.632 56.100 0.024 0.000 1.115 160 R CB 0.065 30.372 30.300 0.011 0.000 1.127 160 R HN 0.391 nan 8.270 nan 0.000 0.523 161 Y N 1.900 122.335 120.300 0.225 0.000 2.442 161 Y HA -0.054 4.487 4.550 -0.016 0.000 0.330 161 Y C 1.516 177.515 175.900 0.165 0.000 1.129 161 Y CA -0.084 58.129 58.100 0.188 0.000 1.365 161 Y CB 0.909 39.493 38.460 0.208 0.000 1.233 161 Y HN 0.596 nan 8.280 nan 0.000 0.529 162 E N 2.195 122.437 120.200 0.070 0.000 2.051 162 E HA -0.090 4.250 4.350 -0.016 0.000 0.192 162 E C -0.800 175.542 176.600 -0.429 0.000 0.991 162 E CA 1.322 57.480 56.400 -0.403 0.000 0.799 162 E CB 0.022 29.228 29.700 -0.823 0.000 0.748 162 E HN 0.454 nan 8.360 nan 0.000 0.449 163 F N -0.869 119.294 119.950 0.355 0.000 2.493 163 F HA 0.516 5.033 4.527 -0.016 0.000 0.329 163 F C 0.989 176.958 175.800 0.281 0.000 1.126 163 F CA -0.708 57.510 58.000 0.363 0.000 0.937 163 F CB 1.576 40.703 39.000 0.211 0.000 1.146 163 F HN -0.060 nan 8.300 nan 0.000 0.442 164 G N 1.928 110.938 108.800 0.351 0.000 2.820 164 G HA2 0.168 4.118 3.960 -0.016 0.000 0.158 164 G HA3 0.168 4.118 3.960 -0.016 0.000 0.158 164 G C -0.414 174.482 174.900 -0.006 0.000 1.715 164 G CA -0.169 44.957 45.100 0.044 0.000 1.057 164 G HN 0.483 nan 8.290 nan 0.000 0.525 165 I N 0.923 121.426 120.570 -0.112 0.000 2.472 165 I HA 0.361 4.522 4.170 -0.016 0.000 0.290 165 I C 0.353 176.420 176.117 -0.083 0.000 1.016 165 I CA -1.535 59.684 61.300 -0.135 0.000 1.348 165 I CB 0.593 38.418 38.000 -0.292 0.000 1.417 165 I HN 0.356 nan 8.210 nan 0.000 0.521 166 F N 5.627 125.597 119.950 0.033 0.000 2.642 166 F HA 0.162 4.680 4.527 -0.016 0.000 0.371 166 F C 0.327 176.178 175.800 0.084 0.000 1.120 166 F CA -0.363 57.670 58.000 0.054 0.000 1.331 166 F CB -0.388 38.632 39.000 0.033 0.000 1.044 166 F HN 0.415 nan 8.300 nan 0.000 0.594 167 N N 2.313 121.150 118.700 0.230 0.000 2.514 167 N HA 0.101 4.831 4.740 -0.016 0.000 0.277 167 N C -0.840 174.858 175.510 0.312 0.000 1.126 167 N CA -0.430 52.723 53.050 0.171 0.000 0.978 167 N CB 1.005 39.600 38.487 0.179 0.000 1.106 167 N HN 0.787 nan 8.380 nan 0.000 0.461 168 Q N 1.905 121.850 119.800 0.242 0.000 2.256 168 Q HA 0.266 4.596 4.340 -0.016 0.000 0.254 168 Q C -1.006 175.153 176.000 0.265 0.000 0.916 168 Q CA -0.249 55.754 55.803 0.334 0.000 0.932 168 Q CB 0.707 29.631 28.738 0.310 0.000 1.207 168 Q HN 0.345 nan 8.270 nan 0.000 0.426 169 K N 4.186 124.728 120.400 0.235 0.000 2.378 169 K HA 0.454 4.764 4.320 -0.016 0.000 0.252 169 K C -1.095 175.592 176.600 0.145 0.000 0.931 169 K CA -0.773 55.623 56.287 0.182 0.000 0.794 169 K CB 1.375 33.963 32.500 0.147 0.000 1.181 169 K HN 0.590 nan 8.250 nan 0.000 0.425 170 I N 3.519 124.161 120.570 0.121 0.000 2.330 170 I HA 0.223 4.384 4.170 -0.016 0.000 0.286 170 I C -0.508 175.658 176.117 0.083 0.000 1.025 170 I CA -0.647 60.691 61.300 0.062 0.000 1.197 170 I CB 0.717 38.703 38.000 -0.023 0.000 1.358 170 I HN 0.575 nan 8.210 nan 0.000 0.467 171 C N 4.299 123.667 119.300 0.112 0.000 2.293 171 C HA 0.604 5.054 4.460 -0.016 0.000 0.323 171 C C 1.198 176.291 174.990 0.172 0.000 1.240 171 C CA -0.406 58.681 59.018 0.114 0.000 1.497 171 C CB 0.189 27.984 27.740 0.092 0.000 2.171 171 C HN 1.089 nan 8.230 nan 0.000 0.465 172 G N 2.415 111.295 108.800 0.132 0.000 2.176 172 G HA2 0.154 4.105 3.960 -0.016 0.000 0.252 172 G HA3 0.154 4.105 3.960 -0.016 0.000 0.252 172 G C 0.986 175.956 174.900 0.117 0.000 1.024 172 G CA 0.711 45.909 45.100 0.164 0.000 0.755 172 G HN 2.270 nan 8.290 nan 0.000 0.507 173 G N -2.873 105.919 108.800 -0.014 0.000 2.176 173 G HA2 -0.272 3.678 3.960 -0.016 0.000 0.253 173 G HA3 -0.272 3.678 3.960 -0.016 0.000 0.253 173 G C 0.356 175.038 174.900 -0.363 0.000 0.979 173 G CA 0.682 45.642 45.100 -0.232 0.000 0.641 173 G HN 1.249 nan 8.290 nan 0.000 0.530 174 W N 0.520 121.764 121.300 -0.093 0.000 2.578 174 W HA 0.702 5.353 4.660 -0.016 0.000 0.353 174 W C 0.551 177.014 176.519 -0.093 0.000 1.088 174 W CA -0.953 56.336 57.345 -0.093 0.000 1.235 174 W CB 0.882 30.314 29.460 -0.046 0.000 1.362 174 W HN 0.222 nan 8.180 nan 0.000 0.592 175 Q N 2.280 122.202 119.800 0.203 0.000 2.293 175 Q HA 0.363 4.693 4.340 -0.016 0.000 0.251 175 Q C -0.721 175.352 176.000 0.121 0.000 0.930 175 Q CA -0.013 55.867 55.803 0.129 0.000 0.893 175 Q CB 0.652 29.469 28.738 0.131 0.000 1.215 175 Q HN 0.292 nan 8.270 nan 0.000 0.425 176 M N 3.092 122.758 119.600 0.109 0.000 2.326 176 M HA 0.304 4.774 4.480 -0.016 0.000 0.306 176 M C -1.371 174.963 176.300 0.055 0.000 1.054 176 M CA -0.671 54.662 55.300 0.055 0.000 0.922 176 M CB 1.733 34.375 32.600 0.070 0.000 1.632 176 M HN 0.594 nan 8.290 nan 0.000 0.436 177 E N 1.991 122.146 120.200 -0.075 0.000 1.963 177 E HA 0.246 4.586 4.350 -0.016 0.000 0.274 177 E C -0.494 176.112 176.600 0.009 0.000 1.061 177 E CA -0.023 56.290 56.400 -0.145 0.000 0.847 177 E CB 0.705 30.093 29.700 -0.520 0.000 1.083 177 E HN 0.410 nan 8.360 nan 0.000 0.402 178 E N 1.823 122.113 120.200 0.150 0.000 2.231 178 E HA 0.557 4.897 4.350 -0.016 0.000 0.277 178 E C -0.710 175.975 176.600 0.140 0.000 0.999 178 E CA -0.926 55.540 56.400 0.110 0.000 0.827 178 E CB 1.005 30.780 29.700 0.126 0.000 1.101 178 E HN 0.535 nan 8.360 nan 0.000 0.393 179 A N 3.315 126.163 122.820 0.046 0.000 2.407 179 A HA 0.055 4.366 4.320 -0.016 0.000 0.248 179 A C -0.110 177.559 177.584 0.142 0.000 1.082 179 A CA -0.184 51.861 52.037 0.014 0.000 0.785 179 A CB 0.444 19.287 19.000 -0.260 0.000 1.020 179 A HN 0.676 nan 8.150 nan 0.000 0.489 180 D N 1.035 121.585 120.400 0.251 0.000 2.522 180 D HA 0.202 4.832 4.640 -0.016 0.000 0.218 180 D C -0.602 176.044 176.300 0.577 0.000 1.149 180 D CA -0.131 54.084 54.000 0.358 0.000 0.981 180 D CB 0.306 41.290 40.800 0.308 0.000 1.041 180 D HN 0.381 nan 8.370 nan 0.000 0.518 181 D N 3.551 124.238 120.400 0.478 0.000 2.801 181 D HA -0.033 4.597 4.640 -0.016 0.000 0.232 181 D C 1.216 177.743 176.300 0.379 0.000 1.128 181 D CA -0.545 53.747 54.000 0.487 0.000 1.003 181 D CB -0.204 40.802 40.800 0.342 0.000 1.110 181 D HN 0.557 nan 8.370 nan 0.000 0.477 182 W N 1.816 123.249 121.300 0.222 0.000 2.595 182 W HA -0.015 4.636 4.660 -0.016 0.000 0.257 182 W C 0.004 176.630 176.519 0.179 0.000 1.267 182 W CA 0.050 57.508 57.345 0.189 0.000 1.300 182 W CB -0.521 29.040 29.460 0.168 0.000 1.120 182 W HN 0.167 nan 8.180 nan 0.000 0.618 183 L N 1.090 122.021 121.223 -0.486 0.000 2.607 183 L HA 0.163 4.493 4.340 -0.016 0.000 0.228 183 L C 2.756 179.510 176.870 -0.193 0.000 1.123 183 L CA -0.039 54.460 54.840 -0.569 0.000 0.890 183 L CB -0.591 40.978 42.059 -0.816 0.000 1.103 183 L HN -0.103 nan 8.230 nan 0.000 0.468 184 R N 0.751 121.231 120.500 -0.034 0.000 2.115 184 R HA -0.247 4.083 4.340 -0.016 0.000 0.239 184 R C 1.212 177.427 176.300 -0.141 0.000 1.133 184 R CA 2.191 58.260 56.100 -0.053 0.000 0.935 184 R CB -0.293 30.031 30.300 0.040 0.000 0.853 184 R HN 0.285 nan 8.270 nan 0.000 0.433 185 Y N 0.251 120.598 120.300 0.078 0.000 2.495 185 Y HA 0.291 4.832 4.550 -0.016 0.000 0.293 185 Y C 0.947 176.855 175.900 0.013 0.000 1.186 185 Y CA 0.438 58.590 58.100 0.087 0.000 1.266 185 Y CB 0.496 39.153 38.460 0.328 0.000 1.101 185 Y HN 0.547 nan 8.280 nan 0.000 0.517 186 G N 1.333 110.177 108.800 0.072 0.000 2.855 186 G HA2 -0.288 3.663 3.960 -0.016 0.000 0.352 186 G HA3 -0.288 3.663 3.960 -0.016 0.000 0.352 186 G C -0.761 174.200 174.900 0.101 0.000 1.415 186 G CA -0.431 44.663 45.100 -0.010 0.000 0.871 186 G HN 0.351 nan 8.290 nan 0.000 0.543 187 N N 0.874 119.594 118.700 0.034 0.000 2.540 187 N HA 0.425 5.156 4.740 -0.016 0.000 0.275 187 N C -1.594 173.919 175.510 0.005 0.000 1.053 187 N CA -1.579 51.540 53.050 0.115 0.000 0.876 187 N CB 2.248 40.808 38.487 0.122 0.000 1.284 187 N HN 0.305 nan 8.380 nan 0.000 0.518 188 P HA 0.058 nan 4.420 nan 0.000 0.247 188 P C 0.233 177.169 177.300 -0.607 0.000 1.225 188 P CA 0.328 63.138 63.100 -0.484 0.000 0.768 188 P CB -0.142 31.001 31.700 -0.929 0.000 1.020 189 W N 1.360 122.730 121.300 0.117 0.000 2.699 189 W HA 0.100 4.750 4.660 -0.016 0.000 0.267 189 W C 1.344 177.942 176.519 0.131 0.000 1.182 189 W CA -0.307 57.090 57.345 0.088 0.000 1.453 189 W CB -0.280 29.220 29.460 0.066 0.000 1.054 189 W HN -0.089 nan 8.180 nan 0.000 0.595 190 E N 2.166 122.579 120.200 0.355 0.000 2.371 190 E HA 0.224 4.565 4.350 -0.016 0.000 0.257 190 E C -0.585 176.216 176.600 0.336 0.000 1.134 190 E CA -0.364 56.251 56.400 0.358 0.000 0.919 190 E CB 1.168 31.097 29.700 0.381 0.000 1.025 190 E HN -0.279 nan 8.360 nan 0.000 0.438 191 K N 1.201 121.805 120.400 0.340 0.000 2.604 191 K HA 0.404 4.714 4.320 -0.016 0.000 0.247 191 K C -1.200 175.419 176.600 0.032 0.000 0.956 191 K CA -0.363 56.046 56.287 0.204 0.000 0.896 191 K CB 1.456 34.085 32.500 0.214 0.000 1.131 191 K HN 0.664 nan 8.250 nan 0.000 0.440 192 A N 3.993 126.731 122.820 -0.137 0.000 2.531 192 A HA 0.304 4.615 4.320 -0.016 0.000 0.236 192 A C -0.240 177.127 177.584 -0.362 0.000 1.062 192 A CA 0.019 51.669 52.037 -0.645 0.000 0.760 192 A CB 0.209 18.861 19.000 -0.580 0.000 0.995 192 A HN 0.693 nan 8.150 nan 0.000 0.501 193 R N 3.138 123.416 120.500 -0.370 0.000 2.835 193 R HA 0.195 4.526 4.340 -0.016 0.000 0.290 193 R C -2.370 173.794 176.300 -0.227 0.000 1.410 193 R CA -1.504 54.461 56.100 -0.226 0.000 1.590 193 R CB 0.843 31.153 30.300 0.017 0.000 1.288 193 R HN 0.602 nan 8.270 nan 0.000 0.637 194 P HA -0.196 nan 4.420 nan 0.000 0.221 194 P C 0.881 178.087 177.300 -0.157 0.000 1.145 194 P CA 1.173 64.188 63.100 -0.142 0.000 0.795 194 P CB 0.372 31.999 31.700 -0.122 0.000 0.775 195 E N -0.461 119.531 120.200 -0.345 0.000 2.338 195 E HA -0.135 4.205 4.350 -0.016 0.000 0.197 195 E C 0.563 176.967 176.600 -0.327 0.000 1.007 195 E CA 0.889 57.031 56.400 -0.430 0.000 0.849 195 E CB -0.744 28.533 29.700 -0.705 0.000 0.774 195 E HN 0.272 nan 8.360 nan 0.000 0.506 196 F N 1.737 121.710 119.950 0.038 0.000 2.708 196 F HA 0.268 4.785 4.527 -0.016 0.000 0.300 196 F C 0.292 176.186 175.800 0.157 0.000 1.118 196 F CA -0.906 57.146 58.000 0.087 0.000 1.307 196 F CB -0.043 39.010 39.000 0.088 0.000 0.986 196 F HN -0.298 nan 8.300 nan 0.000 0.522 197 T N 3.064 117.766 114.554 0.247 0.000 2.867 197 T HA 0.253 4.593 4.350 -0.016 0.000 0.297 197 T C 0.021 174.822 174.700 0.168 0.000 0.989 197 T CA 0.290 62.528 62.100 0.229 0.000 1.159 197 T CB 0.581 69.534 68.868 0.141 0.000 0.928 197 T HN -0.155 nan 8.240 nan 0.000 0.538 198 L N 6.176 127.462 121.223 0.105 0.000 2.330 198 L HA 0.568 4.898 4.340 -0.016 0.000 0.271 198 L C -2.081 174.721 176.870 -0.112 0.000 1.013 198 L CA -2.410 52.406 54.840 -0.041 0.000 0.816 198 L CB 1.514 43.460 42.059 -0.187 0.000 1.287 198 L HN 0.393 nan 8.230 nan 0.000 0.435 199 P HA 0.305 nan 4.420 nan 0.000 0.297 199 P C -1.213 175.916 177.300 -0.284 0.000 1.319 199 P CA -0.371 62.620 63.100 -0.182 0.000 0.810 199 P CB 1.690 33.304 31.700 -0.143 0.000 0.947 200 V N 4.864 124.588 119.914 -0.316 0.000 2.581 200 V HA 0.352 4.463 4.120 -0.016 0.000 0.303 200 V C 0.412 176.220 176.094 -0.476 0.000 1.041 200 V CA -0.589 61.497 62.300 -0.356 0.000 0.907 200 V CB 1.333 32.984 31.823 -0.287 0.000 0.994 200 V HN 0.600 nan 8.190 nan 0.000 0.442 201 H N 3.371 122.232 119.070 -0.349 0.000 2.492 201 H HA 0.606 5.152 4.556 -0.016 0.000 0.345 201 H C -1.286 173.758 175.328 -0.473 0.000 1.136 201 H CA -0.189 55.595 56.048 -0.440 0.000 1.202 201 H CB 1.982 31.250 29.762 -0.823 0.000 1.524 201 H HN 0.463 nan 8.280 nan 0.000 0.506 202 F N -0.091 119.913 119.950 0.090 0.000 2.620 202 F HA 0.236 4.754 4.527 -0.016 0.000 0.320 202 F C -0.163 175.814 175.800 0.294 0.000 1.069 202 F CA -0.601 57.527 58.000 0.213 0.000 0.953 202 F CB 0.855 39.919 39.000 0.106 0.000 1.322 202 F HN 0.557 nan 8.300 nan 0.000 0.479 203 Y N 0.120 120.709 120.300 0.482 0.000 2.744 203 Y HA 0.051 4.591 4.550 -0.016 0.000 0.408 203 Y C 1.172 177.315 175.900 0.404 0.000 1.102 203 Y CA 0.858 59.160 58.100 0.337 0.000 2.076 203 Y CB -1.700 36.878 38.460 0.197 0.000 1.106 203 Y HN 1.228 nan 8.280 nan 0.000 0.668 204 G N -0.022 109.055 108.800 0.461 0.000 2.472 204 G HA2 0.297 4.247 3.960 -0.016 0.000 0.205 204 G HA3 0.297 4.247 3.960 -0.016 0.000 0.205 204 G C -1.017 174.085 174.900 0.336 0.000 1.270 204 G CA 0.164 45.463 45.100 0.332 0.000 0.974 204 G HN 1.347 nan 8.290 nan 0.000 0.542 205 R N -2.436 118.261 120.500 0.328 0.000 2.766 205 R HA 0.731 5.062 4.340 -0.016 0.000 0.270 205 R C -1.623 174.823 176.300 0.244 0.000 1.035 205 R CA -0.964 55.277 56.100 0.235 0.000 0.911 205 R CB 1.400 31.792 30.300 0.153 0.000 1.243 205 R HN 0.946 nan 8.270 nan 0.000 0.460 206 V N 1.207 121.206 119.914 0.143 0.000 2.334 206 V HA 0.274 4.384 4.120 -0.016 0.000 0.281 206 V C -0.328 175.803 176.094 0.061 0.000 1.016 206 V CA -0.620 61.729 62.300 0.081 0.000 0.832 206 V CB 1.207 33.042 31.823 0.020 0.000 0.999 206 V HN 0.674 nan 8.190 nan 0.000 0.439 207 E N 4.072 124.287 120.200 0.024 0.000 2.180 207 E HA 0.222 4.562 4.350 -0.016 0.000 0.283 207 E C -0.545 176.036 176.600 -0.031 0.000 1.061 207 E CA -0.226 56.190 56.400 0.027 0.000 0.861 207 E CB 0.426 30.137 29.700 0.019 0.000 1.056 207 E HN 0.571 nan 8.360 nan 0.000 0.407 208 H N 2.132 121.216 119.070 0.023 0.000 2.504 208 H HA 0.245 4.791 4.556 -0.016 0.000 0.322 208 H C -0.120 175.215 175.328 0.012 0.000 1.055 208 H CA -0.026 56.031 56.048 0.014 0.000 1.231 208 H CB 1.688 31.455 29.762 0.009 0.000 1.417 208 H HN 0.481 nan 8.280 nan 0.000 0.472 209 T N 0.801 115.438 114.554 0.139 0.000 2.858 209 T HA 0.230 4.570 4.350 -0.016 0.000 0.285 209 T C 1.005 175.765 174.700 0.101 0.000 1.052 209 T CA -0.431 61.724 62.100 0.092 0.000 1.009 209 T CB 1.222 70.116 68.868 0.043 0.000 1.241 209 T HN 0.461 nan 8.240 nan 0.000 0.542 210 S N 0.605 116.342 115.700 0.061 0.000 2.436 210 S HA -0.013 4.447 4.470 -0.016 0.000 0.228 210 S C 1.667 176.293 174.600 0.045 0.000 1.014 210 S CA 0.489 58.719 58.200 0.050 0.000 0.950 210 S CB -0.059 63.160 63.200 0.031 0.000 0.784 210 S HN 0.645 nan 8.310 nan 0.000 0.504 211 Q N 0.754 120.576 119.800 0.036 0.000 2.365 211 Q HA 0.365 4.695 4.340 -0.016 0.000 0.203 211 Q C 0.943 176.954 176.000 0.018 0.000 0.929 211 Q CA 0.197 56.015 55.803 0.025 0.000 0.948 211 Q CB 0.363 29.111 28.738 0.017 0.000 1.043 211 Q HN 0.541 nan 8.270 nan 0.000 0.505 212 G N -0.288 108.526 108.800 0.025 0.000 2.362 212 G HA2 0.389 4.339 3.960 -0.016 0.000 0.288 212 G HA3 0.389 4.339 3.960 -0.016 0.000 0.288 212 G C -1.874 172.982 174.900 -0.074 0.000 1.305 212 G CA -0.408 44.687 45.100 -0.007 0.000 0.910 212 G HN 0.208 nan 8.290 nan 0.000 0.518 213 A N -0.154 122.568 122.820 -0.164 0.000 2.371 213 A HA 0.860 5.171 4.320 -0.016 0.000 0.311 213 A C -0.738 176.726 177.584 -0.200 0.000 1.068 213 A CA -0.642 51.172 52.037 -0.373 0.000 0.744 213 A CB 1.891 20.593 19.000 -0.497 0.000 1.239 213 A HN 0.480 nan 8.150 nan 0.000 0.435 214 K N 1.767 122.069 120.400 -0.163 0.000 2.502 214 K HA 0.198 4.508 4.320 -0.016 0.000 0.254 214 K C -1.647 174.981 176.600 0.046 0.000 0.947 214 K CA -0.236 56.022 56.287 -0.049 0.000 0.834 214 K CB 1.569 34.049 32.500 -0.033 0.000 1.112 214 K HN 0.750 nan 8.250 nan 0.000 0.427 215 W N 5.280 126.486 121.300 -0.158 0.000 2.388 215 W HA 0.371 5.022 4.660 -0.016 0.000 0.308 215 W C -0.715 175.737 176.519 -0.111 0.000 1.263 215 W CA -0.704 56.561 57.345 -0.135 0.000 1.286 215 W CB 0.236 29.597 29.460 -0.165 0.000 1.294 215 W HN 0.203 nan 8.180 nan 0.000 0.493 216 V N 6.577 126.543 119.914 0.088 0.000 3.167 216 V HA 0.440 4.550 4.120 -0.016 0.000 0.310 216 V C -0.592 175.470 176.094 -0.054 0.000 1.207 216 V CA -0.559 61.703 62.300 -0.062 0.000 1.059 216 V CB 2.096 33.919 31.823 -0.000 0.000 1.079 216 V HN 0.476 nan 8.190 nan 0.000 0.446 217 D N 1.489 121.854 120.400 -0.058 0.000 2.746 217 D HA -0.120 4.511 4.640 -0.016 0.000 0.236 217 D C 0.257 176.525 176.300 -0.053 0.000 1.129 217 D CA 1.351 55.340 54.000 -0.019 0.000 0.691 217 D CB -1.361 39.465 40.800 0.042 0.000 1.077 217 D HN 0.984 nan 8.370 nan 0.000 0.432 218 T N -2.791 111.667 114.554 -0.159 0.000 2.928 218 T HA 0.440 4.780 4.350 -0.016 0.000 0.284 218 T C 0.223 174.830 174.700 -0.154 0.000 1.008 218 T CA -0.802 61.199 62.100 -0.164 0.000 1.057 218 T CB 2.723 71.326 68.868 -0.442 0.000 1.018 218 T HN 0.141 nan 8.240 nan 0.000 0.493 219 Q N 1.633 121.417 119.800 -0.025 0.000 2.267 219 Q HA 0.482 4.812 4.340 -0.016 0.000 0.255 219 Q C -1.021 174.956 176.000 -0.037 0.000 0.923 219 Q CA -0.718 55.033 55.803 -0.086 0.000 0.925 219 Q CB 0.907 29.694 28.738 0.081 0.000 1.195 219 Q HN 0.653 nan 8.270 nan 0.000 0.417 220 V N 4.280 124.086 119.914 -0.181 0.000 2.567 220 V HA 0.423 4.534 4.120 -0.016 0.000 0.289 220 V C -0.352 175.729 176.094 -0.022 0.000 1.049 220 V CA -0.521 61.657 62.300 -0.203 0.000 0.969 220 V CB 1.675 33.333 31.823 -0.275 0.000 0.995 220 V HN 0.590 nan 8.190 nan 0.000 0.471 221 V N 5.461 125.403 119.914 0.048 0.000 2.623 221 V HA 0.441 4.551 4.120 -0.016 0.000 0.304 221 V C -0.312 175.871 176.094 0.149 0.000 1.054 221 V CA -0.583 61.815 62.300 0.165 0.000 0.882 221 V CB 1.756 33.788 31.823 0.349 0.000 1.002 221 V HN 0.637 nan 8.190 nan 0.000 0.424 222 L N 3.403 124.712 121.223 0.143 0.000 2.395 222 L HA 0.756 5.086 4.340 -0.016 0.000 0.269 222 L C 0.559 177.603 176.870 0.290 0.000 1.133 222 L CA -0.271 54.652 54.840 0.139 0.000 0.812 222 L CB 1.186 43.312 42.059 0.112 0.000 1.125 222 L HN 0.786 nan 8.230 nan 0.000 0.452 223 A N 4.707 127.639 122.820 0.187 0.000 2.328 223 A HA 0.533 4.843 4.320 -0.016 0.000 0.318 223 A C -0.463 177.401 177.584 0.467 0.000 1.347 223 A CA -0.480 51.715 52.037 0.264 0.000 0.842 223 A CB 0.822 19.505 19.000 -0.528 0.000 1.148 223 A HN 0.781 nan 8.150 nan 0.000 0.499 224 M N 6.248 126.174 119.600 0.543 0.000 2.108 224 M HA 0.399 4.869 4.480 -0.016 0.000 0.354 224 M C -2.451 174.141 176.300 0.486 0.000 1.229 224 M CA -1.885 53.675 55.300 0.434 0.000 1.081 224 M CB 1.482 34.266 32.600 0.306 0.000 1.606 224 M HN 0.361 nan 8.290 nan 0.000 0.467 225 P HA 0.195 nan 4.420 nan 0.000 0.281 225 P C -1.895 175.353 177.300 -0.087 0.000 1.249 225 P CA -0.023 63.026 63.100 -0.084 0.000 0.810 225 P CB 0.637 32.184 31.700 -0.255 0.000 1.008 226 Y N 0.303 120.547 120.300 -0.093 0.000 2.354 226 Y HA 0.270 4.810 4.550 -0.016 0.000 0.330 226 Y C -0.177 175.721 175.900 -0.003 0.000 1.011 226 Y CA -0.341 57.764 58.100 0.009 0.000 1.099 226 Y CB 1.581 40.071 38.460 0.050 0.000 1.179 226 Y HN 0.212 nan 8.280 nan 0.000 0.442 227 D N 2.244 122.765 120.400 0.202 0.000 2.233 227 D HA 0.403 5.034 4.640 -0.016 0.000 0.240 227 D C -0.612 175.922 176.300 0.390 0.000 1.074 227 D CA -0.219 53.943 54.000 0.270 0.000 0.838 227 D CB 1.721 42.725 40.800 0.340 0.000 1.124 227 D HN 0.335 nan 8.370 nan 0.000 0.475 228 T N 3.357 118.037 114.554 0.210 0.000 2.807 228 T HA 0.478 4.819 4.350 -0.016 0.000 0.279 228 T C -2.513 172.020 174.700 -0.279 0.000 0.993 228 T CA -1.527 60.599 62.100 0.043 0.000 0.970 228 T CB 1.980 70.871 68.868 0.038 0.000 0.950 228 T HN 0.173 nan 8.240 nan 0.000 0.441 229 P HA 0.307 nan 4.420 nan 0.000 0.280 229 P C -0.971 175.982 177.300 -0.579 0.000 1.244 229 P CA -0.413 61.954 63.100 -1.222 0.000 0.784 229 P CB 0.884 31.574 31.700 -1.683 0.000 0.913 230 V N 5.985 125.629 119.914 -0.450 0.000 2.284 230 V HA 0.258 4.369 4.120 -0.016 0.000 0.274 230 V C -1.945 174.012 176.094 -0.229 0.000 1.023 230 V CA -1.929 60.207 62.300 -0.274 0.000 0.808 230 V CB 1.290 33.001 31.823 -0.186 0.000 1.035 230 V HN 0.546 nan 8.190 nan 0.000 0.445 231 P HA 0.276 nan 4.420 nan 0.000 0.287 231 P C 0.268 177.510 177.300 -0.096 0.000 1.281 231 P CA 0.253 63.259 63.100 -0.157 0.000 0.781 231 P CB 1.757 33.358 31.700 -0.165 0.000 0.903 232 G N 2.840 111.600 108.800 -0.068 0.000 2.476 232 G HA2 0.154 4.105 3.960 -0.016 0.000 0.269 232 G HA3 0.154 4.105 3.960 -0.016 0.000 0.269 232 G C -1.065 173.833 174.900 -0.003 0.000 1.195 232 G CA -0.494 44.597 45.100 -0.015 0.000 0.843 232 G HN 0.470 nan 8.290 nan 0.000 0.545 233 Y N 1.400 121.660 120.300 -0.066 0.000 2.713 233 Y HA 0.073 4.613 4.550 -0.016 0.000 0.341 233 Y C 1.732 177.594 175.900 -0.063 0.000 1.167 233 Y CA 0.397 58.455 58.100 -0.070 0.000 1.503 233 Y CB 0.050 38.468 38.460 -0.070 0.000 1.199 233 Y HN 0.788 nan 8.280 nan 0.000 0.525 234 R N 2.491 122.634 120.500 -0.595 0.000 3.891 234 R HA -0.357 3.973 4.340 -0.016 0.000 0.297 234 R C 0.492 176.672 176.300 -0.199 0.000 1.226 234 R CA 1.573 57.404 56.100 -0.447 0.000 0.848 234 R CB -1.749 28.171 30.300 -0.633 0.000 1.224 234 R HN 0.933 nan 8.270 nan 0.000 0.530 235 N N -0.234 118.393 118.700 -0.121 0.000 2.230 235 N HA 0.012 4.742 4.740 -0.016 0.000 0.202 235 N C -0.291 175.175 175.510 -0.074 0.000 1.119 235 N CA -0.350 52.660 53.050 -0.068 0.000 0.851 235 N CB 0.365 38.836 38.487 -0.027 0.000 0.990 235 N HN 0.072 nan 8.380 nan 0.000 0.497 236 N N -0.051 118.597 118.700 -0.087 0.000 2.735 236 N HA -0.138 4.592 4.740 -0.016 0.000 0.248 236 N C -1.247 174.216 175.510 -0.079 0.000 1.083 236 N CA 0.507 53.512 53.050 -0.076 0.000 0.703 236 N CB -1.340 37.108 38.487 -0.065 0.000 1.005 236 N HN 0.207 nan 8.380 nan 0.000 0.550 237 V N 0.730 120.599 119.914 -0.075 0.000 2.459 237 V HA 0.541 4.652 4.120 -0.016 0.000 0.295 237 V C 0.300 176.350 176.094 -0.075 0.000 1.029 237 V CA -0.634 61.622 62.300 -0.072 0.000 0.874 237 V CB 2.403 34.201 31.823 -0.040 0.000 0.985 237 V HN -0.021 nan 8.190 nan 0.000 0.438 238 V N 5.379 125.247 119.914 -0.076 0.000 2.462 238 V HA 0.450 4.560 4.120 -0.016 0.000 0.288 238 V C -0.064 175.980 176.094 -0.083 0.000 1.020 238 V CA -0.873 61.357 62.300 -0.116 0.000 0.857 238 V CB 1.389 33.140 31.823 -0.120 0.000 1.013 238 V HN 0.817 nan 8.190 nan 0.000 0.431 239 N N 1.890 120.519 118.700 -0.118 0.000 2.431 239 N HA 0.578 5.308 4.740 -0.016 0.000 0.289 239 N C -0.065 175.389 175.510 -0.093 0.000 1.277 239 N CA -0.203 52.792 53.050 -0.090 0.000 0.972 239 N CB 1.210 39.630 38.487 -0.112 0.000 1.143 239 N HN 0.612 nan 8.380 nan 0.000 0.578 240 T N 0.704 115.224 114.554 -0.058 0.000 2.886 240 T HA 0.387 4.728 4.350 -0.016 0.000 0.292 240 T C -0.524 174.149 174.700 -0.045 0.000 1.012 240 T CA -0.527 61.605 62.100 0.054 0.000 0.982 240 T CB 1.502 70.539 68.868 0.283 0.000 1.018 240 T HN 0.293 nan 8.240 nan 0.000 0.451 241 M N 3.467 123.008 119.600 -0.098 0.000 2.114 241 M HA 0.509 4.979 4.480 -0.016 0.000 0.332 241 M C -0.656 175.514 176.300 -0.217 0.000 1.014 241 M CA -0.743 54.420 55.300 -0.228 0.000 0.956 241 M CB 0.867 33.281 32.600 -0.310 0.000 1.551 241 M HN 0.497 nan 8.290 nan 0.000 0.427 242 R N 4.798 125.059 120.500 -0.398 0.000 2.265 242 R HA 0.537 4.868 4.340 -0.016 0.000 0.328 242 R C -1.947 174.046 176.300 -0.511 0.000 0.969 242 R CA -0.593 55.210 56.100 -0.495 0.000 0.832 242 R CB 0.876 30.706 30.300 -0.784 0.000 1.139 242 R HN 0.618 nan 8.270 nan 0.000 0.457 243 L N 5.444 126.488 121.223 -0.299 0.000 2.307 243 L HA 0.444 4.774 4.340 -0.016 0.000 0.284 243 L C -0.972 175.839 176.870 -0.098 0.000 1.023 243 L CA -0.449 54.310 54.840 -0.135 0.000 0.810 243 L CB 1.164 43.247 42.059 0.041 0.000 1.231 243 L HN 0.603 nan 8.230 nan 0.000 0.423 244 W N 2.552 124.012 121.300 0.266 0.000 2.322 244 W HA 0.526 5.176 4.660 -0.016 0.000 0.307 244 W C 0.631 177.415 176.519 0.441 0.000 1.220 244 W CA -0.223 57.328 57.345 0.344 0.000 1.210 244 W CB 1.272 30.863 29.460 0.218 0.000 1.223 244 W HN 0.428 nan 8.180 nan 0.000 0.511 245 S N 2.225 118.335 115.700 0.684 0.000 2.475 245 S HA 0.772 5.233 4.470 -0.016 0.000 0.298 245 S C -0.264 174.627 174.600 0.485 0.000 1.119 245 S CA -0.688 57.778 58.200 0.443 0.000 1.085 245 S CB 0.568 64.011 63.200 0.405 0.000 1.028 245 S HN 0.501 nan 8.310 nan 0.000 0.489 246 A N 3.744 126.674 122.820 0.182 0.000 2.331 246 A HA 0.697 5.008 4.320 -0.016 0.000 0.283 246 A C -0.246 177.406 177.584 0.114 0.000 1.142 246 A CA -0.533 51.545 52.037 0.068 0.000 0.812 246 A CB 0.315 19.116 19.000 -0.331 0.000 1.074 246 A HN 0.804 nan 8.150 nan 0.000 0.497 247 K N 1.806 122.295 120.400 0.148 0.000 2.535 247 K HA 0.667 4.977 4.320 -0.016 0.000 0.251 247 K C -0.605 176.049 176.600 0.091 0.000 0.942 247 K CA -0.278 56.075 56.287 0.110 0.000 0.798 247 K CB 1.782 34.360 32.500 0.130 0.000 1.267 247 K HN 0.950 nan 8.250 nan 0.000 0.434 248 A N 4.242 127.098 122.820 0.060 0.000 2.425 248 A HA 0.412 4.723 4.320 -0.016 0.000 0.249 248 A C -2.199 175.420 177.584 0.057 0.000 1.084 248 A CA -1.252 50.816 52.037 0.051 0.000 0.781 248 A CB -0.301 18.721 19.000 0.037 0.000 1.019 248 A HN 0.654 nan 8.150 nan 0.000 0.490 249 P HA 0.097 nan 4.420 nan 0.000 0.282 249 P C -0.944 176.399 177.300 0.073 0.000 1.274 249 P CA -0.452 62.683 63.100 0.060 0.000 0.770 249 P CB 0.646 32.376 31.700 0.050 0.000 0.867 250 N N 4.399 123.137 118.700 0.064 0.000 2.819 250 N HA -0.005 4.725 4.740 -0.016 0.000 0.284 250 N C 0.031 175.582 175.510 0.068 0.000 1.196 250 N CA -0.006 53.084 53.050 0.066 0.000 1.114 250 N CB -0.132 38.389 38.487 0.058 0.000 1.437 250 N HN 0.500 nan 8.380 nan 0.000 0.518 251 D N -0.316 120.134 120.400 0.083 0.000 2.214 251 D HA -0.110 4.520 4.640 -0.016 0.000 0.117 251 D C 0.768 177.105 176.300 0.061 0.000 1.492 251 D CA -0.284 53.755 54.000 0.065 0.000 1.198 251 D CB -0.837 40.006 40.800 0.072 0.000 2.659 251 D HN 0.152 nan 8.370 nan 0.000 0.232 252 F N 2.166 122.108 119.950 -0.015 0.000 2.134 252 F HA 0.057 4.574 4.527 -0.016 0.000 0.299 252 F C 0.701 176.486 175.800 -0.026 0.000 1.097 252 F CA 1.096 59.080 58.000 -0.026 0.000 1.264 252 F CB -0.105 38.884 39.000 -0.018 0.000 1.001 252 F HN -0.094 nan 8.300 nan 0.000 0.479 253 N N 0.990 119.816 118.700 0.210 0.000 2.513 253 N HA 0.189 4.920 4.740 -0.016 0.000 0.274 253 N C 0.789 176.341 175.510 0.070 0.000 1.189 253 N CA 0.100 53.223 53.050 0.122 0.000 0.975 253 N CB 1.240 39.784 38.487 0.095 0.000 1.157 253 N HN 0.013 nan 8.380 nan 0.000 0.465 254 L N -0.037 121.222 121.223 0.060 0.000 2.848 254 L HA -0.403 3.927 4.340 -0.016 0.000 0.400 254 L C 1.658 178.591 176.870 0.105 0.000 2.308 254 L CA 1.939 56.847 54.840 0.113 0.000 2.916 254 L CB -1.503 40.650 42.059 0.157 0.000 1.824 254 L HN 0.665 nan 8.230 nan 0.000 0.807 255 K N 0.067 120.476 120.400 0.015 0.000 2.152 255 K HA -0.167 4.143 4.320 -0.016 0.000 0.206 255 K C 0.595 177.033 176.600 -0.269 0.000 1.048 255 K CA 1.417 57.651 56.287 -0.088 0.000 0.933 255 K CB -0.263 32.158 32.500 -0.132 0.000 0.721 255 K HN 0.481 nan 8.250 nan 0.000 0.447 256 D N 1.164 121.407 120.400 -0.262 0.000 2.540 256 D HA -0.063 4.567 4.640 -0.016 0.000 0.237 256 D C 0.764 176.953 176.300 -0.185 0.000 1.181 256 D CA -0.262 53.524 54.000 -0.357 0.000 1.119 256 D CB -0.127 40.532 40.800 -0.235 0.000 1.119 256 D HN 0.092 nan 8.370 nan 0.000 0.498 257 F N 0.887 120.836 119.950 -0.002 0.000 2.307 257 F HA -0.035 4.483 4.527 -0.016 0.000 0.301 257 F C 1.119 176.925 175.800 0.010 0.000 1.076 257 F CA -0.271 57.739 58.000 0.016 0.000 1.383 257 F CB -1.531 37.471 39.000 0.003 0.000 1.055 257 F HN 0.136 nan 8.300 nan 0.000 0.526 258 N N 1.885 120.780 118.700 0.325 0.000 2.399 258 N HA 0.038 4.769 4.740 -0.016 0.000 0.284 258 N C 0.934 176.515 175.510 0.118 0.000 1.283 258 N CA 0.729 53.916 53.050 0.228 0.000 0.972 258 N CB 0.221 38.780 38.487 0.120 0.000 1.328 258 N HN 0.199 nan 8.380 nan 0.000 0.486 259 V N 2.277 122.262 119.914 0.117 0.000 0.497 259 V HA -0.393 3.717 4.120 -0.016 0.000 0.072 259 V C 2.018 178.156 176.094 0.072 0.000 2.746 259 V CA 2.138 64.484 62.300 0.077 0.000 3.772 259 V CB -1.856 29.999 31.823 0.054 0.000 1.136 259 V HN 0.641 nan 8.190 nan 0.000 1.139 260 G N -0.035 108.812 108.800 0.078 0.000 2.475 260 G HA2 0.171 4.121 3.960 -0.016 0.000 0.220 260 G HA3 0.171 4.121 3.960 -0.016 0.000 0.220 260 G C 1.604 176.554 174.900 0.082 0.000 1.125 260 G CA 1.552 46.692 45.100 0.067 0.000 0.755 260 G HN 2.221 nan 8.290 nan 0.000 0.565 261 G N -1.101 107.771 108.800 0.120 0.000 2.233 261 G HA2 -0.339 3.611 3.960 -0.016 0.000 0.270 261 G HA3 -0.339 3.611 3.960 -0.016 0.000 0.270 261 G C 0.625 175.638 174.900 0.188 0.000 1.011 261 G CA 1.073 46.252 45.100 0.132 0.000 0.762 261 G HN 1.508 nan 8.290 nan 0.000 0.511 262 Y N -1.203 119.129 120.300 0.053 0.000 2.683 262 Y HA -0.485 4.055 4.550 -0.016 0.000 0.485 262 Y C 2.140 178.059 175.900 0.031 0.000 1.013 262 Y CA 2.965 61.091 58.100 0.043 0.000 3.129 262 Y CB -1.641 36.848 38.460 0.048 0.000 0.959 262 Y HN 0.303 nan 8.280 nan 0.000 0.580 263 I N 0.660 121.108 120.570 -0.204 0.000 2.118 263 I HA -0.329 3.832 4.170 -0.016 0.000 0.241 263 I C 2.449 178.458 176.117 -0.180 0.000 1.070 263 I CA 2.506 63.648 61.300 -0.263 0.000 1.327 263 I CB -1.397 36.575 38.000 -0.045 0.000 1.034 263 I HN 0.623 nan 8.210 nan 0.000 0.405 264 Q N 1.048 120.801 119.800 -0.079 0.000 2.084 264 Q HA -0.119 4.211 4.340 -0.016 0.000 0.202 264 Q C 2.217 178.178 176.000 -0.066 0.000 0.978 264 Q CA 2.370 58.143 55.803 -0.050 0.000 0.844 264 Q CB -0.396 28.336 28.738 -0.010 0.000 0.898 264 Q HN 0.480 nan 8.270 nan 0.000 0.426 265 A N -0.769 122.009 122.820 -0.071 0.000 2.019 265 A HA -0.104 4.206 4.320 -0.016 0.000 0.219 265 A C 2.236 179.757 177.584 -0.105 0.000 1.164 265 A CA 1.461 53.464 52.037 -0.058 0.000 0.644 265 A CB -0.618 18.373 19.000 -0.015 0.000 0.805 265 A HN 0.277 nan 8.150 nan 0.000 0.449 266 V N 0.187 119.970 119.914 -0.218 0.000 2.307 266 V HA -0.231 3.879 4.120 -0.016 0.000 0.245 266 V C 2.529 178.554 176.094 -0.115 0.000 1.045 266 V CA 1.918 64.085 62.300 -0.220 0.000 1.024 266 V CB -0.673 30.933 31.823 -0.362 0.000 0.651 266 V HN 0.601 nan 8.190 nan 0.000 0.449 267 L N -0.332 120.830 121.223 -0.101 0.000 2.093 267 L HA -0.142 4.188 4.340 -0.016 0.000 0.208 267 L C 2.153 179.003 176.870 -0.034 0.000 1.085 267 L CA 1.412 56.219 54.840 -0.056 0.000 0.755 267 L CB -0.799 41.232 42.059 -0.047 0.000 0.904 267 L HN 0.302 nan 8.230 nan 0.000 0.435 268 D N -0.206 120.174 120.400 -0.034 0.000 2.312 268 D HA -0.127 4.504 4.640 -0.016 0.000 0.211 268 D C 2.172 178.467 176.300 -0.010 0.000 0.964 268 D CA 0.532 54.522 54.000 -0.016 0.000 0.877 268 D CB -0.074 40.719 40.800 -0.010 0.000 0.924 268 D HN 0.191 nan 8.370 nan 0.000 0.515 269 R N 0.917 121.408 120.500 -0.016 0.000 2.081 269 R HA -0.039 4.291 4.340 -0.016 0.000 0.235 269 R C 0.132 176.433 176.300 0.001 0.000 1.131 269 R CA 0.917 57.016 56.100 -0.002 0.000 0.960 269 R CB 0.025 30.319 30.300 -0.009 0.000 0.856 269 R HN 0.067 nan 8.270 nan 0.000 0.436 270 N N 1.586 120.283 118.700 -0.004 0.000 3.178 270 N HA 0.001 4.731 4.740 -0.016 0.000 0.300 270 N C 0.376 175.888 175.510 0.003 0.000 1.242 270 N CA 0.295 53.347 53.050 0.003 0.000 1.192 270 N CB 1.004 39.493 38.487 0.003 0.000 1.463 270 N HN 0.401 nan 8.380 nan 0.000 0.539 271 L N -1.133 120.089 121.223 -0.001 0.000 3.122 271 L HA 0.267 4.597 4.340 -0.016 0.000 0.296 271 L C 1.459 178.317 176.870 -0.020 0.000 1.040 271 L CA 0.197 55.034 54.840 -0.005 0.000 1.164 271 L CB -0.110 41.946 42.059 -0.005 0.000 1.990 271 L HN 0.142 nan 8.230 nan 0.000 0.579 272 A N 0.029 122.835 122.820 -0.023 0.000 2.072 272 A HA 0.017 4.327 4.320 -0.016 0.000 0.216 272 A C 1.640 179.185 177.584 -0.065 0.000 1.156 272 A CA 0.973 52.980 52.037 -0.049 0.000 0.701 272 A CB -0.278 18.709 19.000 -0.021 0.000 0.816 272 A HN 0.568 nan 8.150 nan 0.000 0.458 273 E N 0.405 120.585 120.200 -0.032 0.000 2.478 273 E HA -0.083 4.258 4.350 -0.016 0.000 0.198 273 E C 0.805 177.381 176.600 -0.040 0.000 1.046 273 E CA 0.259 56.641 56.400 -0.031 0.000 0.870 273 E CB -0.112 29.591 29.700 0.005 0.000 0.818 273 E HN 0.438 nan 8.360 nan 0.000 0.527 274 N N 0.833 119.516 118.700 -0.029 0.000 2.520 274 N HA -0.046 4.684 4.740 -0.016 0.000 0.185 274 N C 1.503 177.006 175.510 -0.012 0.000 1.068 274 N CA 0.524 53.577 53.050 0.004 0.000 0.911 274 N CB 0.031 38.528 38.487 0.017 0.000 0.961 274 N HN 0.267 nan 8.380 nan 0.000 0.446 275 I N 0.181 120.682 120.570 -0.114 0.000 2.226 275 I HA -0.211 3.949 4.170 -0.016 0.000 0.245 275 I C 1.195 177.238 176.117 -0.123 0.000 1.100 275 I CA 1.126 62.319 61.300 -0.178 0.000 1.374 275 I CB -0.198 37.544 38.000 -0.430 0.000 1.057 275 I HN 0.122 nan 8.210 nan 0.000 0.413 276 S N -0.248 115.360 115.700 -0.154 0.000 2.552 276 S HA 0.201 4.661 4.470 -0.016 0.000 0.246 276 S C 1.313 175.975 174.600 0.103 0.000 1.019 276 S CA -0.586 57.584 58.200 -0.051 0.000 1.045 276 S CB 0.341 63.486 63.200 -0.093 0.000 0.784 276 S HN 0.187 nan 8.310 nan 0.000 0.453 277 R N 1.278 121.871 120.500 0.155 0.000 2.055 277 R HA 0.293 4.623 4.340 -0.016 0.000 0.228 277 R C 0.473 176.984 176.300 0.351 0.000 1.143 277 R CA 1.284 57.505 56.100 0.201 0.000 0.945 277 R CB -0.425 29.993 30.300 0.196 0.000 0.841 277 R HN 0.420 nan 8.270 nan 0.000 0.429 278 V N 0.063 120.198 119.914 0.369 0.000 3.049 278 V HA 0.393 4.503 4.120 -0.016 0.000 0.309 278 V C -1.580 174.518 176.094 0.007 0.000 1.148 278 V CA -1.385 61.081 62.300 0.276 0.000 0.990 278 V CB 1.844 33.779 31.823 0.187 0.000 1.039 278 V HN 0.198 nan 8.190 nan 0.000 0.430 279 L N 5.737 126.699 121.223 -0.434 0.000 2.360 279 L HA 0.478 4.808 4.340 -0.016 0.000 0.276 279 L C -0.915 175.825 176.870 -0.217 0.000 1.121 279 L CA 0.377 54.748 54.840 -0.781 0.000 0.845 279 L CB 0.529 42.068 42.059 -0.866 0.000 1.143 279 L HN 0.672 nan 8.230 nan 0.000 0.452 280 Y N 7.409 127.630 120.300 -0.131 0.000 2.605 280 Y HA 0.177 4.717 4.550 -0.016 0.000 0.336 280 Y C -1.188 174.724 175.900 0.020 0.000 1.111 280 Y CA -1.286 56.809 58.100 -0.009 0.000 1.422 280 Y CB 0.301 38.770 38.460 0.016 0.000 1.193 280 Y HN 0.606 nan 8.280 nan 0.000 0.526 281 P HA -0.141 nan 4.420 nan 0.000 0.240 281 P C -0.609 176.866 177.300 0.292 0.000 1.186 281 P CA 0.637 63.890 63.100 0.255 0.000 0.755 281 P CB 0.122 32.032 31.700 0.350 0.000 0.870 282 N N 2.237 121.108 118.700 0.285 0.000 2.739 282 N HA 0.026 4.756 4.740 -0.016 0.000 0.266 282 N C -0.430 175.266 175.510 0.309 0.000 1.168 282 N CA 0.129 53.380 53.050 0.335 0.000 1.055 282 N CB -0.587 38.067 38.487 0.278 0.000 1.393 282 N HN 0.204 nan 8.380 nan 0.000 0.514 283 D N 1.014 121.608 120.400 0.324 0.000 2.483 283 D HA -0.061 4.569 4.640 -0.016 0.000 0.261 283 D C -0.138 176.330 176.300 0.280 0.000 1.318 283 D CA -0.014 54.143 54.000 0.262 0.000 1.201 283 D CB -0.712 40.257 40.800 0.281 0.000 1.127 283 D HN 0.154 nan 8.370 nan 0.000 0.519 284 N N 1.228 120.079 118.700 0.252 0.000 2.522 284 N HA -0.195 4.536 4.740 -0.016 0.000 0.281 284 N C -1.401 174.350 175.510 0.402 0.000 1.267 284 N CA 0.479 53.691 53.050 0.271 0.000 0.675 284 N CB -0.720 37.870 38.487 0.173 0.000 0.890 284 N HN 0.420 nan 8.380 nan 0.000 0.542 285 F N 2.667 122.728 119.950 0.185 0.000 2.690 285 F HA 0.438 4.956 4.527 -0.016 0.000 0.311 285 F C -1.794 174.100 175.800 0.156 0.000 1.111 285 F CA -1.456 56.641 58.000 0.161 0.000 1.003 285 F CB 0.688 39.764 39.000 0.128 0.000 1.283 285 F HN 0.071 nan 8.300 nan 0.000 0.442 286 F N 5.531 125.329 119.950 -0.254 0.000 2.371 286 F HA 0.524 5.041 4.527 -0.016 0.000 0.363 286 F C -0.426 174.955 175.800 -0.699 0.000 1.122 286 F CA -0.121 57.615 58.000 -0.439 0.000 1.129 286 F CB 0.616 39.435 39.000 -0.302 0.000 1.173 286 F HN 0.479 nan 8.300 nan 0.000 0.489 287 E N 3.849 123.338 120.200 -1.185 0.000 2.155 287 E HA 0.273 4.614 4.350 -0.016 0.000 0.264 287 E C 0.091 175.952 176.600 -1.232 0.000 0.886 287 E CA -0.694 55.073 56.400 -1.055 0.000 0.752 287 E CB 1.522 30.881 29.700 -0.569 0.000 1.133 287 E HN 0.890 nan 8.360 nan 0.000 0.414 288 G N 4.328 112.360 108.800 -1.279 0.000 3.090 288 G HA2 -0.046 3.904 3.960 -0.016 0.000 0.259 288 G HA3 -0.046 3.904 3.960 -0.016 0.000 0.259 288 G C 0.201 175.071 174.900 -0.049 0.000 0.797 288 G CA -0.112 44.543 45.100 -0.741 0.000 2.032 288 G HN 0.125 nan 8.290 nan 0.000 0.614 289 K N 0.561 120.945 120.400 -0.026 0.000 2.205 289 K HA 0.132 4.443 4.320 -0.016 0.000 0.279 289 K C 0.942 177.624 176.600 0.137 0.000 1.027 289 K CA -0.515 55.796 56.287 0.039 0.000 0.932 289 K CB 2.162 34.608 32.500 -0.089 0.000 1.032 289 K HN 0.488 nan 8.250 nan 0.000 0.466 290 E N 2.022 122.270 120.200 0.082 0.000 2.204 290 E HA -0.189 4.151 4.350 -0.016 0.000 0.195 290 E C 1.415 177.997 176.600 -0.030 0.000 0.990 290 E CA 0.645 57.046 56.400 0.001 0.000 0.821 290 E CB 0.198 29.913 29.700 0.026 0.000 0.750 290 E HN 0.415 nan 8.360 nan 0.000 0.477 291 L N 1.139 122.382 121.223 0.033 0.000 2.027 291 L HA -0.128 4.202 4.340 -0.016 0.000 0.206 291 L C 2.389 179.285 176.870 0.044 0.000 1.074 291 L CA 1.694 56.575 54.840 0.069 0.000 0.745 291 L CB -0.656 41.539 42.059 0.228 0.000 0.898 291 L HN 0.010 nan 8.230 nan 0.000 0.433 292 R N -0.364 120.090 120.500 -0.076 0.000 2.080 292 R HA -0.177 4.153 4.340 -0.016 0.000 0.236 292 R C 2.190 178.522 176.300 0.053 0.000 1.137 292 R CA 2.032 58.085 56.100 -0.077 0.000 0.943 292 R CB -1.328 28.848 30.300 -0.207 0.000 0.846 292 R HN 0.401 nan 8.270 nan 0.000 0.431 293 L N 1.130 122.293 121.223 -0.101 0.000 2.043 293 L HA -0.169 4.161 4.340 -0.016 0.000 0.212 293 L C 1.835 178.650 176.870 -0.093 0.000 1.075 293 L CA 1.987 56.566 54.840 -0.434 0.000 0.752 293 L CB -0.493 40.939 42.059 -1.046 0.000 0.891 293 L HN 0.182 nan 8.230 nan 0.000 0.432 294 K N -1.151 119.239 120.400 -0.017 0.000 2.097 294 K HA -0.192 4.119 4.320 -0.016 0.000 0.206 294 K C 2.089 178.846 176.600 0.261 0.000 1.049 294 K CA 1.704 58.074 56.287 0.138 0.000 0.933 294 K CB -0.143 32.270 32.500 -0.146 0.000 0.717 294 K HN 0.527 nan 8.250 nan 0.000 0.442 295 Q N 0.489 120.398 119.800 0.182 0.000 2.084 295 Q HA -0.192 4.139 4.340 -0.016 0.000 0.202 295 Q C 1.912 178.101 176.000 0.314 0.000 0.978 295 Q CA 1.487 57.441 55.803 0.252 0.000 0.844 295 Q CB 0.004 28.902 28.738 0.266 0.000 0.898 295 Q HN 0.364 nan 8.270 nan 0.000 0.426 296 E N -0.125 120.222 120.200 0.245 0.000 2.031 296 E HA -0.212 4.129 4.350 -0.016 0.000 0.193 296 E C 1.742 178.462 176.600 0.201 0.000 0.994 296 E CA 1.083 57.619 56.400 0.227 0.000 0.800 296 E CB -0.179 29.644 29.700 0.205 0.000 0.752 296 E HN 0.291 nan 8.360 nan 0.000 0.447 297 Y N 0.483 120.822 120.300 0.065 0.000 2.224 297 Y HA -0.251 4.289 4.550 -0.016 0.000 0.289 297 Y C 1.938 177.850 175.900 0.020 0.000 1.146 297 Y CA 1.110 59.191 58.100 -0.031 0.000 1.182 297 Y CB -0.480 37.923 38.460 -0.096 0.000 0.983 297 Y HN 0.052 nan 8.280 nan 0.000 0.524 298 F N -0.235 119.687 119.950 -0.047 0.000 2.043 298 F HA -0.279 4.238 4.527 -0.016 0.000 0.297 298 F C 2.555 178.190 175.800 -0.275 0.000 1.118 298 F CA 2.280 60.217 58.000 -0.105 0.000 1.202 298 F CB -1.130 37.945 39.000 0.126 0.000 0.965 298 F HN -0.081 nan 8.300 nan 0.000 0.482 299 V N -0.402 119.455 119.914 -0.094 0.000 2.667 299 V HA -0.146 3.965 4.120 -0.016 0.000 0.252 299 V C 2.059 178.024 176.094 -0.215 0.000 1.065 299 V CA 1.664 63.894 62.300 -0.117 0.000 1.083 299 V CB -0.363 31.653 31.823 0.323 0.000 0.692 299 V HN 0.272 nan 8.190 nan 0.000 0.468 300 V N 0.643 120.426 119.914 -0.219 0.000 2.270 300 V HA -0.154 3.956 4.120 -0.016 0.000 0.245 300 V C 2.860 178.734 176.094 -0.368 0.000 1.043 300 V CA 2.150 64.322 62.300 -0.214 0.000 1.014 300 V CB -1.192 30.573 31.823 -0.097 0.000 0.645 300 V HN 0.639 nan 8.190 nan 0.000 0.447 301 A N 0.035 122.490 122.820 -0.608 0.000 1.851 301 A HA -0.175 4.136 4.320 -0.016 0.000 0.216 301 A C 2.443 179.696 177.584 -0.553 0.000 1.195 301 A CA 2.469 54.157 52.037 -0.581 0.000 0.622 301 A CB -1.093 17.383 19.000 -0.873 0.000 0.831 301 A HN 0.585 nan 8.150 nan 0.000 0.444 302 A N -1.098 121.229 122.820 -0.821 0.000 1.859 302 A HA -0.168 4.143 4.320 -0.016 0.000 0.217 302 A C 2.340 179.541 177.584 -0.639 0.000 1.198 302 A CA 2.669 54.077 52.037 -1.049 0.000 0.629 302 A CB -1.593 16.106 19.000 -2.168 0.000 0.830 302 A HN 0.456 nan 8.150 nan 0.000 0.446 303 T N 0.127 114.400 114.554 -0.468 0.000 2.635 303 T HA -0.168 4.172 4.350 -0.016 0.000 0.267 303 T C 1.742 176.155 174.700 -0.478 0.000 1.040 303 T CA 1.784 63.642 62.100 -0.403 0.000 1.156 303 T CB -0.417 68.140 68.868 -0.518 0.000 0.863 303 T HN 0.224 nan 8.240 nan 0.000 0.430 304 L N 0.941 121.939 121.223 -0.375 0.000 2.191 304 L HA -0.074 4.257 4.340 -0.016 0.000 0.212 304 L C 2.624 179.373 176.870 -0.202 0.000 1.103 304 L CA 1.533 56.206 54.840 -0.278 0.000 0.769 304 L CB -0.663 41.278 42.059 -0.196 0.000 0.908 304 L HN 0.316 nan 8.230 nan 0.000 0.438 305 Q N -0.891 118.789 119.800 -0.201 0.000 2.046 305 Q HA -0.198 4.132 4.340 -0.016 0.000 0.200 305 Q C 1.789 177.748 176.000 -0.069 0.000 0.975 305 Q CA 1.466 57.198 55.803 -0.118 0.000 0.836 305 Q CB -0.094 28.562 28.738 -0.137 0.000 0.896 305 Q HN 0.429 nan 8.270 nan 0.000 0.428 306 D N 0.507 120.870 120.400 -0.063 0.000 2.149 306 D HA -0.133 4.497 4.640 -0.016 0.000 0.198 306 D C 1.772 178.010 176.300 -0.103 0.000 0.990 306 D CA 0.933 54.931 54.000 -0.003 0.000 0.839 306 D CB -0.058 40.846 40.800 0.173 0.000 0.948 306 D HN 0.247 nan 8.370 nan 0.000 0.460 307 I N 0.563 120.967 120.570 -0.276 0.000 2.163 307 I HA -0.223 3.938 4.170 -0.016 0.000 0.240 307 I C 2.319 178.461 176.117 0.041 0.000 1.081 307 I CA 0.555 61.649 61.300 -0.345 0.000 1.353 307 I CB -0.092 37.562 38.000 -0.577 0.000 1.054 307 I HN -0.017 nan 8.210 nan 0.000 0.407 308 I N 0.838 121.485 120.570 0.127 0.000 2.208 308 I HA -0.296 3.864 4.170 -0.016 0.000 0.245 308 I C 2.705 178.978 176.117 0.259 0.000 1.097 308 I CA 1.497 62.988 61.300 0.319 0.000 1.363 308 I CB -1.113 37.006 38.000 0.197 0.000 1.051 308 I HN 0.357 nan 8.210 nan 0.000 0.413 309 R N 1.377 121.949 120.500 0.121 0.000 2.082 309 R HA -0.188 4.143 4.340 -0.016 0.000 0.234 309 R C 2.428 178.775 176.300 0.079 0.000 1.136 309 R CA 1.722 57.867 56.100 0.075 0.000 0.935 309 R CB -0.281 30.036 30.300 0.028 0.000 0.842 309 R HN 0.206 nan 8.270 nan 0.000 0.430 310 R N -0.725 119.833 120.500 0.096 0.000 2.152 310 R HA -0.145 4.185 4.340 -0.016 0.000 0.232 310 R C 2.119 178.517 176.300 0.164 0.000 1.117 310 R CA 1.386 57.561 56.100 0.125 0.000 0.981 310 R CB -0.313 30.082 30.300 0.158 0.000 0.870 310 R HN 0.299 nan 8.270 nan 0.000 0.451 311 F N 1.590 121.571 119.950 0.052 0.000 2.163 311 F HA -0.057 4.460 4.527 -0.016 0.000 0.297 311 F C 1.649 177.439 175.800 -0.017 0.000 1.094 311 F CA 1.311 59.320 58.000 0.016 0.000 1.290 311 F CB 0.060 39.109 39.000 0.081 0.000 1.017 311 F HN -0.245 nan 8.300 nan 0.000 0.483 312 K N -0.089 120.208 120.400 -0.172 0.000 2.217 312 K HA -0.061 4.249 4.320 -0.016 0.000 0.202 312 K C 1.798 178.298 176.600 -0.166 0.000 1.051 312 K CA 1.336 57.467 56.287 -0.261 0.000 0.952 312 K CB -0.251 32.207 32.500 -0.070 0.000 0.736 312 K HN 0.347 nan 8.250 nan 0.000 0.453 313 S N -0.047 115.600 115.700 -0.088 0.000 2.605 313 S HA 0.038 4.498 4.470 -0.016 0.000 0.217 313 S C 1.088 175.657 174.600 -0.051 0.000 0.958 313 S CA -0.287 57.873 58.200 -0.067 0.000 0.919 313 S CB -0.002 63.161 63.200 -0.062 0.000 0.780 313 S HN 0.186 nan 8.310 nan 0.000 0.507 314 S N 2.404 118.076 115.700 -0.047 0.000 2.232 314 S HA 0.368 4.828 4.470 -0.016 0.000 0.240 314 S C 1.162 175.757 174.600 -0.008 0.000 1.224 314 S CA -0.603 57.605 58.200 0.012 0.000 1.019 314 S CB -0.068 63.177 63.200 0.074 0.000 1.039 314 S HN 0.034 nan 8.310 nan 0.000 0.439 315 K N 0.205 120.616 120.400 0.019 0.000 2.362 315 K HA 0.127 4.437 4.320 -0.016 0.000 0.200 315 K C 1.554 178.029 176.600 -0.207 0.000 1.046 315 K CA 0.781 57.019 56.287 -0.082 0.000 0.952 315 K CB -0.714 31.724 32.500 -0.103 0.000 0.753 315 K HN 0.497 nan 8.250 nan 0.000 0.466 316 F N 0.619 120.418 119.950 -0.252 0.000 2.104 316 F HA 0.066 4.584 4.527 -0.016 0.000 0.288 316 F C 1.950 177.603 175.800 -0.244 0.000 1.107 316 F CA 0.990 58.810 58.000 -0.301 0.000 1.208 316 F CB -0.803 37.855 39.000 -0.571 0.000 1.033 316 F HN -0.027 nan 8.300 nan 0.000 0.478 317 G N -1.573 107.186 108.800 -0.067 0.000 3.316 317 G HA2 0.270 4.220 3.960 -0.016 0.000 0.255 317 G HA3 0.270 4.220 3.960 -0.016 0.000 0.255 317 G C 0.176 175.035 174.900 -0.068 0.000 0.880 317 G CA 0.524 45.578 45.100 -0.077 0.000 1.956 317 G HN 0.553 nan 8.290 nan 0.000 0.634 318 C N 0.083 119.340 119.300 -0.071 0.000 4.722 318 C HA 0.346 4.796 4.460 -0.016 0.000 0.452 318 C C 1.018 175.963 174.990 -0.076 0.000 0.910 318 C CA 0.855 59.833 59.018 -0.067 0.000 2.392 318 C CB -0.442 27.258 27.740 -0.066 0.000 2.926 318 C HN 0.724 nan 8.230 nan 0.000 0.368 319 R N 0.651 121.086 120.500 -0.108 0.000 2.949 319 R HA 0.622 4.952 4.340 -0.016 0.000 0.092 319 R C 0.071 176.257 176.300 -0.189 0.000 0.509 319 R CA 0.557 56.584 56.100 -0.122 0.000 0.303 319 R CB -0.721 29.511 30.300 -0.112 0.000 0.347 319 R HN 0.100 nan 8.270 nan 0.000 0.316 320 D N -0.084 120.169 120.400 -0.245 0.000 3.321 320 D HA -0.152 4.478 4.640 -0.016 0.000 0.178 320 D C -1.577 174.586 176.300 -0.227 0.000 1.208 320 D CA 1.731 55.515 54.000 -0.359 0.000 1.074 320 D CB -1.490 38.824 40.800 -0.810 0.000 0.560 320 D HN 0.570 nan 8.370 nan 0.000 0.618 321 P HA 0.114 nan 4.420 nan 0.000 0.256 321 P C 1.116 178.405 177.300 -0.018 0.000 1.335 321 P CA 0.900 63.967 63.100 -0.055 0.000 0.808 321 P CB 0.331 32.051 31.700 0.034 0.000 1.305 322 V N -1.634 118.253 119.914 -0.044 0.000 0.614 322 V HA -0.360 3.750 4.120 -0.016 0.000 0.092 322 V C 0.877 176.977 176.094 0.009 0.000 1.640 322 V CA 2.141 64.428 62.300 -0.022 0.000 3.331 322 V CB -1.876 29.939 31.823 -0.014 0.000 0.607 322 V HN 0.366 nan 8.190 nan 0.000 0.622 323 R N 2.550 123.069 120.500 0.032 0.000 2.296 323 R HA 0.445 4.775 4.340 -0.016 0.000 0.323 323 R C 0.455 176.802 176.300 0.079 0.000 1.067 323 R CA 0.681 56.812 56.100 0.051 0.000 0.946 323 R CB 0.341 30.677 30.300 0.060 0.000 0.991 323 R HN 0.769 nan 8.270 nan 0.000 0.448 324 T N 0.495 115.078 114.554 0.049 0.000 2.576 324 T HA -0.110 4.230 4.350 -0.016 0.000 0.251 324 T C 0.252 174.967 174.700 0.025 0.000 1.050 324 T CA -0.376 61.706 62.100 -0.029 0.000 1.286 324 T CB -0.322 68.434 68.868 -0.187 0.000 1.028 324 T HN 0.441 nan 8.240 nan 0.000 0.509 325 N N 2.344 121.128 118.700 0.140 0.000 2.439 325 N HA 0.267 4.997 4.740 -0.016 0.000 0.249 325 N C -0.122 175.462 175.510 0.124 0.000 1.003 325 N CA -1.414 51.766 53.050 0.217 0.000 0.942 325 N CB 0.101 38.765 38.487 0.296 0.000 1.115 325 N HN 0.529 nan 8.380 nan 0.000 0.505 326 F N 1.050 121.064 119.950 0.107 0.000 2.816 326 F HA 0.050 4.567 4.527 -0.016 0.000 0.302 326 F C 1.501 177.300 175.800 -0.003 0.000 1.178 326 F CA -0.000 58.005 58.000 0.009 0.000 1.421 326 F CB 0.122 39.014 39.000 -0.180 0.000 1.114 326 F HN 0.455 nan 8.300 nan 0.000 0.573 327 D N 0.716 121.242 120.400 0.210 0.000 2.123 327 D HA -0.181 4.449 4.640 -0.016 0.000 0.196 327 D C 2.205 178.596 176.300 0.151 0.000 0.992 327 D CA 1.487 55.587 54.000 0.167 0.000 0.833 327 D CB -0.251 40.655 40.800 0.178 0.000 0.954 327 D HN 0.262 nan 8.370 nan 0.000 0.455 328 A N -0.571 122.371 122.820 0.202 0.000 2.276 328 A HA 0.056 4.366 4.320 -0.016 0.000 0.212 328 A C 1.570 179.162 177.584 0.014 0.000 1.230 328 A CA -0.280 51.878 52.037 0.202 0.000 0.844 328 A CB -0.813 18.494 19.000 0.512 0.000 0.860 328 A HN 0.140 nan 8.150 nan 0.000 0.486 329 F N 2.237 121.975 119.950 -0.353 0.000 2.095 329 F HA -0.089 4.428 4.527 -0.016 0.000 0.298 329 F C -0.390 175.199 175.800 -0.352 0.000 1.104 329 F CA 2.190 59.748 58.000 -0.736 0.000 1.232 329 F CB -0.421 38.190 39.000 -0.648 0.000 0.987 329 F HN 0.227 nan 8.300 nan 0.000 0.475 330 P HA -0.125 nan 4.420 nan 0.000 0.222 330 P C 0.440 177.656 177.300 -0.140 0.000 1.147 330 P CA 1.510 64.529 63.100 -0.135 0.000 0.790 330 P CB -0.106 31.555 31.700 -0.065 0.000 0.780 331 D N -0.442 119.906 120.400 -0.086 0.000 2.348 331 D HA -0.008 4.623 4.640 -0.016 0.000 0.211 331 D C 1.716 177.989 176.300 -0.044 0.000 0.998 331 D CA 0.698 54.680 54.000 -0.031 0.000 0.873 331 D CB 0.172 40.997 40.800 0.041 0.000 0.925 331 D HN 0.213 nan 8.370 nan 0.000 0.524 332 K N -0.028 120.298 120.400 -0.124 0.000 2.399 332 K HA 0.193 4.503 4.320 -0.016 0.000 0.196 332 K C 0.309 176.781 176.600 -0.214 0.000 1.117 332 K CA 0.173 56.402 56.287 -0.096 0.000 0.965 332 K CB 1.934 34.458 32.500 0.039 0.000 0.983 332 K HN -0.051 nan 8.250 nan 0.000 0.531 333 V N 1.057 120.718 119.914 -0.420 0.000 2.680 333 V HA 0.668 4.778 4.120 -0.016 0.000 0.309 333 V C -1.062 174.874 176.094 -0.264 0.000 1.052 333 V CA -1.091 60.964 62.300 -0.407 0.000 0.908 333 V CB 1.807 33.063 31.823 -0.945 0.000 1.001 333 V HN 0.167 nan 8.190 nan 0.000 0.431 334 A N 5.492 128.231 122.820 -0.136 0.000 2.402 334 A HA 0.842 5.153 4.320 -0.016 0.000 0.291 334 A C -0.984 176.592 177.584 -0.015 0.000 1.051 334 A CA -0.437 51.547 52.037 -0.089 0.000 0.716 334 A CB 1.233 20.134 19.000 -0.165 0.000 1.223 334 A HN 1.106 nan 8.150 nan 0.000 0.425 335 I N 0.497 121.109 120.570 0.070 0.000 2.406 335 I HA 0.739 4.900 4.170 -0.016 0.000 0.290 335 I C -0.797 175.406 176.117 0.144 0.000 0.999 335 I CA -0.593 60.779 61.300 0.121 0.000 1.124 335 I CB 1.873 39.928 38.000 0.092 0.000 1.289 335 I HN 0.574 nan 8.210 nan 0.000 0.441 336 Q N 6.984 126.875 119.800 0.152 0.000 2.340 336 Q HA 0.492 4.822 4.340 -0.016 0.000 0.259 336 Q C -1.442 174.596 176.000 0.063 0.000 0.964 336 Q CA -0.392 55.544 55.803 0.222 0.000 0.900 336 Q CB 1.434 30.418 28.738 0.410 0.000 1.228 336 Q HN 0.833 nan 8.270 nan 0.000 0.449 337 L N 3.940 125.240 121.223 0.129 0.000 2.342 337 L HA 0.298 4.628 4.340 -0.016 0.000 0.285 337 L C 0.129 177.078 176.870 0.131 0.000 1.095 337 L CA -0.529 54.377 54.840 0.110 0.000 0.843 337 L CB 0.096 42.251 42.059 0.159 0.000 1.201 337 L HN 0.576 nan 8.230 nan 0.000 0.445 338 N N 4.362 123.049 118.700 -0.022 0.000 2.448 338 N HA 0.076 4.806 4.740 -0.016 0.000 0.250 338 N C -0.194 175.367 175.510 0.085 0.000 1.136 338 N CA 0.466 53.538 53.050 0.036 0.000 0.953 338 N CB 0.039 38.411 38.487 -0.191 0.000 1.251 338 N HN 0.595 nan 8.380 nan 0.000 0.502 339 D N 0.031 120.594 120.400 0.271 0.000 5.019 339 D HA -0.210 4.421 4.640 -0.016 0.000 0.304 339 D C 0.213 176.593 176.300 0.133 0.000 2.360 339 D CA 1.373 55.499 54.000 0.210 0.000 1.276 339 D CB -0.566 40.065 40.800 -0.282 0.000 1.079 339 D HN 0.489 nan 8.370 nan 0.000 1.254 340 T N -2.150 112.361 114.554 -0.071 0.000 3.129 340 T HA 0.101 4.441 4.350 -0.016 0.000 0.251 340 T C 1.622 176.343 174.700 0.035 0.000 1.117 340 T CA 1.466 63.500 62.100 -0.109 0.000 1.034 340 T CB -0.514 68.269 68.868 -0.143 0.000 0.968 340 T HN 0.500 nan 8.240 nan 0.000 0.526 341 H N 2.647 121.798 119.070 0.135 0.000 2.319 341 H HA -0.013 4.534 4.556 -0.016 0.000 0.297 341 H C -0.760 174.654 175.328 0.142 0.000 1.097 341 H CA 1.101 57.247 56.048 0.163 0.000 1.285 341 H CB -0.871 28.987 29.762 0.160 0.000 1.368 341 H HN 0.413 nan 8.280 nan 0.000 0.495 342 P HA 0.085 nan 4.420 nan 0.000 0.248 342 P C 0.503 177.846 177.300 0.072 0.000 1.708 342 P CA 0.366 63.547 63.100 0.135 0.000 1.062 342 P CB 0.402 32.174 31.700 0.121 0.000 1.562 343 S N -0.475 115.257 115.700 0.053 0.000 2.442 343 S HA -0.112 4.349 4.470 -0.016 0.000 0.236 343 S C 1.742 176.341 174.600 -0.001 0.000 1.007 343 S CA 0.578 58.771 58.200 -0.012 0.000 0.965 343 S CB -1.053 62.107 63.200 -0.067 0.000 0.773 343 S HN -0.006 nan 8.310 nan 0.000 0.504 344 L N 1.810 123.043 121.223 0.017 0.000 2.447 344 L HA 0.150 4.480 4.340 -0.016 0.000 0.225 344 L C 2.694 179.579 176.870 0.024 0.000 1.148 344 L CA 0.725 55.560 54.840 -0.007 0.000 0.808 344 L CB -1.740 40.314 42.059 -0.008 0.000 0.928 344 L HN 0.490 nan 8.230 nan 0.000 0.448 345 A N -0.821 122.011 122.820 0.019 0.000 2.070 345 A HA -0.159 4.151 4.320 -0.016 0.000 0.220 345 A C 2.312 179.898 177.584 0.003 0.000 1.159 345 A CA 1.307 53.346 52.037 0.004 0.000 0.656 345 A CB -0.420 18.578 19.000 -0.004 0.000 0.800 345 A HN 0.393 nan 8.150 nan 0.000 0.453 346 I N 0.293 120.873 120.570 0.016 0.000 2.141 346 I HA -0.107 4.054 4.170 -0.016 0.000 0.236 346 I C -0.281 175.880 176.117 0.073 0.000 1.071 346 I CA 1.302 62.627 61.300 0.041 0.000 1.345 346 I CB -0.838 37.203 38.000 0.069 0.000 1.066 346 I HN 0.215 nan 8.210 nan 0.000 0.406 347 P HA -0.179 nan 4.420 nan 0.000 0.219 347 P C 1.279 178.607 177.300 0.046 0.000 1.150 347 P CA 1.542 64.677 63.100 0.058 0.000 0.814 347 P CB 0.033 31.770 31.700 0.062 0.000 0.787 348 E N 0.368 120.649 120.200 0.135 0.000 2.106 348 E HA -0.158 4.182 4.350 -0.016 0.000 0.192 348 E C 1.940 178.527 176.600 -0.023 0.000 0.984 348 E CA 0.785 57.278 56.400 0.154 0.000 0.806 348 E CB -1.242 28.581 29.700 0.205 0.000 0.750 348 E HN 0.035 nan 8.360 nan 0.000 0.458 349 L N -0.215 120.966 121.223 -0.069 0.000 2.141 349 L HA -0.021 4.309 4.340 -0.016 0.000 0.209 349 L C 2.042 178.765 176.870 -0.245 0.000 1.094 349 L CA 1.402 56.140 54.840 -0.169 0.000 0.763 349 L CB -0.335 41.630 42.059 -0.157 0.000 0.908 349 L HN 0.232 nan 8.230 nan 0.000 0.437 350 M N -1.164 118.314 119.600 -0.202 0.000 2.200 350 M HA -0.145 4.326 4.480 -0.016 0.000 0.265 350 M C 2.372 178.494 176.300 -0.297 0.000 1.066 350 M CA 1.289 56.410 55.300 -0.297 0.000 1.127 350 M CB -1.074 31.339 32.600 -0.311 0.000 1.379 350 M HN 0.264 nan 8.290 nan 0.000 0.420 351 R N -0.032 120.322 120.500 -0.242 0.000 2.070 351 R HA -0.126 4.205 4.340 -0.016 0.000 0.233 351 R C 2.126 178.301 176.300 -0.210 0.000 1.137 351 R CA 1.639 57.590 56.100 -0.248 0.000 0.945 351 R CB -0.226 29.887 30.300 -0.311 0.000 0.845 351 R HN 0.171 nan 8.270 nan 0.000 0.430 352 V N 1.543 121.339 119.914 -0.196 0.000 2.255 352 V HA -0.283 3.827 4.120 -0.016 0.000 0.247 352 V C 2.412 178.329 176.094 -0.295 0.000 1.051 352 V CA 1.915 64.093 62.300 -0.204 0.000 1.018 352 V CB -0.459 31.247 31.823 -0.196 0.000 0.641 352 V HN 0.359 nan 8.190 nan 0.000 0.445 353 L N -0.664 120.312 121.223 -0.411 0.000 2.083 353 L HA -0.133 4.198 4.340 -0.016 0.000 0.209 353 L C 2.353 179.006 176.870 -0.362 0.000 1.083 353 L CA 1.054 55.575 54.840 -0.532 0.000 0.752 353 L CB -0.601 41.075 42.059 -0.639 0.000 0.899 353 L HN 0.215 nan 8.230 nan 0.000 0.433 354 V N -0.753 118.985 119.914 -0.294 0.000 2.374 354 V HA -0.152 3.958 4.120 -0.016 0.000 0.241 354 V C 1.980 177.992 176.094 -0.137 0.000 1.034 354 V CA 1.520 63.698 62.300 -0.204 0.000 1.037 354 V CB -0.270 31.424 31.823 -0.216 0.000 0.682 354 V HN 0.328 nan 8.190 nan 0.000 0.463 355 D N 0.303 120.617 120.400 -0.143 0.000 2.091 355 D HA -0.032 4.598 4.640 -0.016 0.000 0.199 355 D C 2.128 178.373 176.300 -0.091 0.000 0.980 355 D CA 1.303 55.239 54.000 -0.107 0.000 0.831 355 D CB -0.138 40.595 40.800 -0.112 0.000 0.987 355 D HN 0.299 nan 8.370 nan 0.000 0.460 356 L N 0.524 121.684 121.223 -0.106 0.000 2.102 356 L HA 0.037 4.367 4.340 -0.016 0.000 0.202 356 L C 1.917 178.745 176.870 -0.071 0.000 1.076 356 L CA 0.770 55.562 54.840 -0.080 0.000 0.761 356 L CB -0.340 41.673 42.059 -0.077 0.000 0.921 356 L HN -0.135 nan 8.230 nan 0.000 0.444 357 E N 0.619 120.745 120.200 -0.123 0.000 2.481 357 E HA 0.005 4.345 4.350 -0.016 0.000 0.195 357 E C 0.159 176.715 176.600 -0.073 0.000 1.047 357 E CA -0.046 56.294 56.400 -0.099 0.000 0.867 357 E CB 0.066 29.604 29.700 -0.270 0.000 0.858 357 E HN 0.286 nan 8.360 nan 0.000 0.513 358 R N 0.245 120.693 120.500 -0.087 0.000 3.416 358 R HA -0.201 4.129 4.340 -0.016 0.000 0.263 358 R C -0.478 175.796 176.300 -0.043 0.000 1.053 358 R CA 0.273 56.343 56.100 -0.051 0.000 0.705 358 R CB -2.452 27.840 30.300 -0.014 0.000 1.124 358 R HN 0.052 nan 8.270 nan 0.000 0.444 359 L N 1.044 122.209 121.223 -0.095 0.000 2.399 359 L HA 0.174 4.504 4.340 -0.016 0.000 0.266 359 L C 0.990 177.834 176.870 -0.042 0.000 1.114 359 L CA 0.020 54.817 54.840 -0.071 0.000 0.804 359 L CB 0.899 42.866 42.059 -0.152 0.000 1.146 359 L HN 0.184 nan 8.230 nan 0.000 0.451 360 D N -0.520 119.887 120.400 0.011 0.000 2.368 360 D HA -0.069 4.562 4.640 -0.016 0.000 0.240 360 D C 0.801 177.152 176.300 0.084 0.000 1.169 360 D CA -0.231 53.810 54.000 0.069 0.000 0.906 360 D CB 0.468 41.323 40.800 0.091 0.000 1.187 360 D HN 0.471 nan 8.370 nan 0.000 0.435 361 W N 0.935 122.233 121.300 -0.005 0.000 2.315 361 W HA -0.209 4.441 4.660 -0.016 0.000 0.323 361 W C 1.741 178.293 176.519 0.056 0.000 1.233 361 W CA 1.824 59.170 57.345 0.001 0.000 1.267 361 W CB -0.204 29.240 29.460 -0.028 0.000 1.160 361 W HN 0.499 nan 8.180 nan 0.000 0.474 362 D N -0.242 120.397 120.400 0.398 0.000 2.133 362 D HA -0.211 4.419 4.640 -0.016 0.000 0.195 362 D C 2.025 178.451 176.300 0.210 0.000 0.997 362 D CA 1.398 55.594 54.000 0.327 0.000 0.840 362 D CB -0.483 40.453 40.800 0.226 0.000 0.947 362 D HN 0.038 nan 8.370 nan 0.000 0.452 363 K N 0.510 120.982 120.400 0.119 0.000 2.025 363 K HA 0.021 4.331 4.320 -0.016 0.000 0.207 363 K C 2.017 178.612 176.600 -0.008 0.000 1.049 363 K CA 0.951 57.273 56.287 0.057 0.000 0.933 363 K CB -0.461 32.062 32.500 0.038 0.000 0.714 363 K HN 0.087 nan 8.250 nan 0.000 0.438 364 A N 0.817 123.588 122.820 -0.082 0.000 1.877 364 A HA -0.199 4.111 4.320 -0.016 0.000 0.216 364 A C 2.161 179.669 177.584 -0.126 0.000 1.186 364 A CA 1.387 53.302 52.037 -0.204 0.000 0.620 364 A CB -1.086 17.700 19.000 -0.357 0.000 0.822 364 A HN 0.597 nan 8.150 nan 0.000 0.443 365 W N 0.810 121.921 121.300 -0.315 0.000 2.335 365 W HA -0.224 4.427 4.660 -0.016 0.000 0.311 365 W C 2.171 178.649 176.519 -0.067 0.000 1.213 365 W CA 1.979 59.197 57.345 -0.212 0.000 1.274 365 W CB -0.116 29.313 29.460 -0.052 0.000 1.148 365 W HN 0.662 nan 8.180 nan 0.000 0.498 366 E N 0.143 120.361 120.200 0.031 0.000 2.058 366 E HA -0.247 4.093 4.350 -0.016 0.000 0.194 366 E C 1.946 178.468 176.600 -0.129 0.000 0.997 366 E CA 2.127 58.496 56.400 -0.052 0.000 0.801 366 E CB -0.533 29.191 29.700 0.041 0.000 0.746 366 E HN 0.091 nan 8.360 nan 0.000 0.450 367 V N 0.929 120.780 119.914 -0.106 0.000 2.343 367 V HA -0.234 3.877 4.120 -0.016 0.000 0.247 367 V C 2.443 178.451 176.094 -0.143 0.000 1.051 367 V CA 2.159 64.400 62.300 -0.099 0.000 1.036 367 V CB -0.691 31.065 31.823 -0.112 0.000 0.654 367 V HN 0.412 nan 8.190 nan 0.000 0.451 368 T N 0.750 115.158 114.554 -0.243 0.000 2.674 368 T HA -0.182 4.158 4.350 -0.016 0.000 0.265 368 T C 1.960 176.458 174.700 -0.337 0.000 1.039 368 T CA 2.009 63.940 62.100 -0.283 0.000 1.150 368 T CB -0.360 68.306 68.868 -0.336 0.000 0.864 368 T HN 0.508 nan 8.240 nan 0.000 0.427 369 V N 0.374 119.970 119.914 -0.530 0.000 2.490 369 V HA -0.060 4.051 4.120 -0.016 0.000 0.250 369 V C 1.954 177.924 176.094 -0.207 0.000 1.061 369 V CA 1.453 63.499 62.300 -0.423 0.000 1.064 369 V CB -0.759 30.736 31.823 -0.547 0.000 0.670 369 V HN 0.375 nan 8.190 nan 0.000 0.461 370 K N 0.254 120.518 120.400 -0.226 0.000 2.439 370 K HA 0.029 4.339 4.320 -0.016 0.000 0.197 370 K C 1.943 178.346 176.600 -0.329 0.000 1.041 370 K CA 1.371 57.482 56.287 -0.293 0.000 0.970 370 K CB -0.108 32.284 32.500 -0.180 0.000 0.773 370 K HN 0.606 nan 8.250 nan 0.000 0.479 371 T N -0.030 114.425 114.554 -0.165 0.000 3.042 371 T HA 0.057 4.397 4.350 -0.016 0.000 0.245 371 T C 0.879 175.588 174.700 0.015 0.000 1.029 371 T CA 0.164 62.221 62.100 -0.072 0.000 1.120 371 T CB 0.186 69.085 68.868 0.053 0.000 0.917 371 T HN 0.155 nan 8.240 nan 0.000 0.467 372 C N 2.489 121.814 119.300 0.042 0.000 2.405 372 C HA 0.882 5.333 4.460 -0.016 0.000 0.365 372 C C 0.549 175.697 174.990 0.263 0.000 1.233 372 C CA -1.228 57.863 59.018 0.121 0.000 2.230 372 C CB 0.006 27.764 27.740 0.030 0.000 2.443 372 C HN 0.592 nan 8.230 nan 0.000 0.556 373 A N 1.712 124.686 122.820 0.256 0.000 2.459 373 A HA 0.648 4.959 4.320 -0.016 0.000 0.296 373 A C -1.437 176.288 177.584 0.234 0.000 1.039 373 A CA -0.354 51.820 52.037 0.229 0.000 0.698 373 A CB 0.836 20.025 19.000 0.316 0.000 1.261 373 A HN 0.868 nan 8.150 nan 0.000 0.405 374 Y N 1.553 121.857 120.300 0.008 0.000 2.360 374 Y HA 0.698 5.239 4.550 -0.016 0.000 0.337 374 Y C -0.331 175.595 175.900 0.043 0.000 1.039 374 Y CA -0.649 57.454 58.100 0.004 0.000 1.109 374 Y CB 1.836 40.245 38.460 -0.086 0.000 1.201 374 Y HN 0.518 nan 8.280 nan 0.000 0.458 375 T N 7.152 121.566 114.554 -0.234 0.000 2.809 375 T HA 0.190 4.530 4.350 -0.016 0.000 0.296 375 T C -0.657 173.710 174.700 -0.554 0.000 1.015 375 T CA -0.832 61.082 62.100 -0.310 0.000 0.954 375 T CB 0.056 68.992 68.868 0.114 0.000 0.950 375 T HN 0.661 nan 8.240 nan 0.000 0.450 376 N N 2.234 120.535 118.700 -0.665 0.000 2.444 376 N HA 0.088 4.818 4.740 -0.016 0.000 0.271 376 N C 0.409 175.874 175.510 -0.076 0.000 1.069 376 N CA -0.132 52.769 53.050 -0.250 0.000 0.965 376 N CB 0.663 39.153 38.487 0.004 0.000 1.092 376 N HN 0.651 nan 8.380 nan 0.000 0.476 377 H N 1.370 120.503 119.070 0.105 0.000 2.639 377 H HA 0.109 4.655 4.556 -0.016 0.000 0.267 377 H C -0.023 175.237 175.328 -0.113 0.000 0.958 377 H CA 0.384 56.440 56.048 0.012 0.000 1.221 377 H CB 1.129 30.906 29.762 0.025 0.000 1.446 377 H HN 0.496 nan 8.280 nan 0.000 0.512 378 T N 0.254 114.867 114.554 0.098 0.000 3.047 378 T HA 0.199 4.539 4.350 -0.016 0.000 0.340 378 T C 0.867 175.644 174.700 0.129 0.000 1.421 378 T CA -0.444 61.667 62.100 0.017 0.000 1.090 378 T CB 1.334 70.193 68.868 -0.015 0.000 1.292 378 T HN -0.030 nan 8.240 nan 0.000 0.480 379 V N 2.793 122.770 119.914 0.105 0.000 3.406 379 V HA 0.463 4.573 4.120 -0.016 0.000 0.263 379 V C 1.090 177.192 176.094 0.014 0.000 1.172 379 V CA 0.319 62.649 62.300 0.050 0.000 1.140 379 V CB -0.828 30.999 31.823 0.007 0.000 0.784 379 V HN 0.733 nan 8.190 nan 0.000 0.467 380 L N 3.185 124.402 121.223 -0.011 0.000 2.615 380 L HA 0.120 4.450 4.340 -0.016 0.000 0.271 380 L C -0.267 176.634 176.870 0.053 0.000 1.183 380 L CA -0.837 54.002 54.840 -0.002 0.000 0.933 380 L CB 0.180 42.200 42.059 -0.064 0.000 1.199 380 L HN 0.174 nan 8.230 nan 0.000 0.487 381 P HA -0.254 nan 4.420 nan 0.000 0.216 381 P C 1.000 178.364 177.300 0.106 0.000 1.154 381 P CA 1.516 64.658 63.100 0.070 0.000 0.865 381 P CB 0.039 31.775 31.700 0.060 0.000 0.789 382 E N 0.248 120.544 120.200 0.162 0.000 2.409 382 E HA -0.063 4.277 4.350 -0.016 0.000 0.198 382 E C 1.625 178.449 176.600 0.374 0.000 1.024 382 E CA 1.125 57.697 56.400 0.288 0.000 0.861 382 E CB -0.672 29.236 29.700 0.347 0.000 0.788 382 E HN 0.240 nan 8.360 nan 0.000 0.521 383 A N 1.092 124.068 122.820 0.259 0.000 2.275 383 A HA 0.201 4.511 4.320 -0.016 0.000 0.212 383 A C 0.964 178.631 177.584 0.138 0.000 1.201 383 A CA -0.378 51.816 52.037 0.262 0.000 0.843 383 A CB -0.086 19.042 19.000 0.213 0.000 0.873 383 A HN 0.250 nan 8.150 nan 0.000 0.492 384 L N 0.928 122.171 121.223 0.033 0.000 2.331 384 L HA 0.311 4.642 4.340 -0.016 0.000 0.278 384 L C -0.191 176.382 176.870 -0.496 0.000 1.106 384 L CA -0.137 54.632 54.840 -0.118 0.000 0.824 384 L CB 0.481 42.496 42.059 -0.074 0.000 1.142 384 L HN 0.262 nan 8.230 nan 0.000 0.443 385 E N 5.942 125.777 120.200 -0.608 0.000 2.223 385 E HA 0.316 4.657 4.350 -0.016 0.000 0.282 385 E C -0.699 175.266 176.600 -1.059 0.000 1.046 385 E CA -0.117 55.532 56.400 -1.251 0.000 0.857 385 E CB 0.656 29.985 29.700 -0.619 0.000 1.055 385 E HN 0.461 nan 8.360 nan 0.000 0.409 386 R N 3.844 123.460 120.500 -1.473 0.000 2.545 386 R HA 0.173 4.503 4.340 -0.016 0.000 0.289 386 R C -1.326 174.755 176.300 -0.365 0.000 1.327 386 R CA -0.579 55.145 56.100 -0.628 0.000 1.040 386 R CB 0.836 30.910 30.300 -0.378 0.000 1.176 386 R HN 0.464 nan 8.270 nan 0.000 0.518 387 W N 4.137 125.388 121.300 -0.082 0.000 2.272 387 W HA 0.292 4.943 4.660 -0.016 0.000 0.318 387 W C -1.940 174.553 176.519 -0.043 0.000 1.255 387 W CA -2.221 55.147 57.345 0.037 0.000 1.200 387 W CB 0.548 30.001 29.460 -0.012 0.000 1.170 387 W HN 0.239 nan 8.180 nan 0.000 0.549 388 P HA -0.100 nan 4.420 nan 0.000 0.267 388 P C 0.844 178.077 177.300 -0.112 0.000 1.205 388 P CA 0.212 63.298 63.100 -0.023 0.000 0.765 388 P CB 1.059 32.635 31.700 -0.208 0.000 0.828 389 V N 4.598 124.509 119.914 -0.005 0.000 2.317 389 V HA -0.329 3.781 4.120 -0.016 0.000 0.251 389 V C 2.076 178.169 176.094 -0.003 0.000 1.065 389 V CA 2.852 65.160 62.300 0.014 0.000 1.049 389 V CB -1.334 30.561 31.823 0.121 0.000 0.651 389 V HN 0.793 nan 8.190 nan 0.000 0.450 390 H N -0.884 118.234 119.070 0.081 0.000 2.422 390 H HA -0.174 4.373 4.556 -0.016 0.000 0.298 390 H C 2.069 177.430 175.328 0.055 0.000 1.098 390 H CA 2.274 58.365 56.048 0.070 0.000 1.315 390 H CB -0.778 29.029 29.762 0.075 0.000 1.382 390 H HN 0.461 nan 8.280 nan 0.000 0.523 391 L N -0.141 120.841 121.223 -0.402 0.000 1.994 391 L HA -0.125 4.206 4.340 -0.016 0.000 0.208 391 L C 2.345 179.134 176.870 -0.135 0.000 1.071 391 L CA 1.383 56.106 54.840 -0.195 0.000 0.745 391 L CB -0.216 41.709 42.059 -0.223 0.000 0.892 391 L HN 0.353 nan 8.230 nan 0.000 0.431 392 L N -0.550 120.573 121.223 -0.168 0.000 2.056 392 L HA -0.219 4.111 4.340 -0.016 0.000 0.207 392 L C 2.512 179.295 176.870 -0.144 0.000 1.078 392 L CA 1.150 55.867 54.840 -0.205 0.000 0.749 392 L CB -0.513 41.416 42.059 -0.218 0.000 0.901 392 L HN 0.296 nan 8.230 nan 0.000 0.433 393 E N 0.033 120.193 120.200 -0.066 0.000 2.085 393 E HA -0.200 4.140 4.350 -0.016 0.000 0.194 393 E C 1.933 178.550 176.600 0.028 0.000 0.994 393 E CA 2.180 58.576 56.400 -0.007 0.000 0.801 393 E CB -0.092 29.648 29.700 0.067 0.000 0.743 393 E HN 0.310 nan 8.360 nan 0.000 0.453 394 T N 0.118 114.709 114.554 0.061 0.000 2.755 394 T HA -0.026 4.314 4.350 -0.016 0.000 0.251 394 T C 1.685 176.439 174.700 0.089 0.000 1.044 394 T CA 0.995 63.174 62.100 0.131 0.000 1.154 394 T CB -0.432 68.552 68.868 0.193 0.000 0.866 394 T HN 0.137 nan 8.240 nan 0.000 0.416 395 L N 0.220 121.396 121.223 -0.078 0.000 2.141 395 L HA 0.218 4.548 4.340 -0.016 0.000 0.209 395 L C 0.125 176.906 176.870 -0.149 0.000 1.094 395 L CA 1.643 56.310 54.840 -0.288 0.000 0.763 395 L CB -0.063 41.796 42.059 -0.333 0.000 0.908 395 L HN 0.210 nan 8.230 nan 0.000 0.437 396 L N -1.023 120.084 121.223 -0.193 0.000 2.457 396 L HA 0.258 4.588 4.340 -0.016 0.000 0.259 396 L C -1.965 174.704 176.870 -0.336 0.000 1.377 396 L CA -1.086 53.558 54.840 -0.327 0.000 0.887 396 L CB 1.009 42.719 42.059 -0.581 0.000 1.085 396 L HN -0.170 nan 8.230 nan 0.000 0.509 397 P HA -0.183 nan 4.420 nan 0.000 0.214 397 P C 1.644 178.750 177.300 -0.324 0.000 1.163 397 P CA 1.187 64.157 63.100 -0.217 0.000 0.889 397 P CB 0.272 31.922 31.700 -0.083 0.000 0.790 398 R N -0.785 119.351 120.500 -0.606 0.000 2.073 398 R HA -0.177 4.153 4.340 -0.016 0.000 0.234 398 R C 2.180 178.172 176.300 -0.514 0.000 1.134 398 R CA 1.832 57.589 56.100 -0.573 0.000 0.952 398 R CB -1.455 28.354 30.300 -0.819 0.000 0.850 398 R HN 0.247 nan 8.270 nan 0.000 0.433 399 H N -0.056 118.682 119.070 -0.552 0.000 2.352 399 H HA -0.123 4.424 4.556 -0.016 0.000 0.299 399 H C 1.817 176.951 175.328 -0.324 0.000 1.097 399 H CA 1.747 57.542 56.048 -0.421 0.000 1.311 399 H CB -0.134 29.318 29.762 -0.516 0.000 1.377 399 H HN 0.108 nan 8.280 nan 0.000 0.504 400 L N 0.856 121.941 121.223 -0.230 0.000 2.046 400 L HA -0.221 4.110 4.340 -0.016 0.000 0.208 400 L C 1.651 178.342 176.870 -0.297 0.000 1.077 400 L CA 1.786 56.440 54.840 -0.311 0.000 0.747 400 L CB -0.529 41.365 42.059 -0.275 0.000 0.896 400 L HN 0.456 nan 8.230 nan 0.000 0.432 401 Q N -0.368 119.351 119.800 -0.136 0.000 2.124 401 Q HA -0.194 4.137 4.340 -0.016 0.000 0.202 401 Q C 2.169 178.185 176.000 0.028 0.000 0.977 401 Q CA 1.551 57.364 55.803 0.016 0.000 0.850 401 Q CB -0.001 28.761 28.738 0.040 0.000 0.901 401 Q HN 0.580 nan 8.270 nan 0.000 0.429 402 I N 0.230 120.780 120.570 -0.033 0.000 2.439 402 I HA -0.223 3.938 4.170 -0.016 0.000 0.251 402 I C 2.112 178.261 176.117 0.054 0.000 1.139 402 I CA 0.829 62.161 61.300 0.053 0.000 1.438 402 I CB -0.133 37.848 38.000 -0.031 0.000 1.085 402 I HN 0.185 nan 8.210 nan 0.000 0.427 403 I N -0.211 120.324 120.570 -0.059 0.000 2.252 403 I HA -0.305 3.856 4.170 -0.016 0.000 0.245 403 I C 2.443 178.551 176.117 -0.016 0.000 1.102 403 I CA 1.443 62.696 61.300 -0.078 0.000 1.385 403 I CB -0.358 37.530 38.000 -0.188 0.000 1.064 403 I HN 0.151 nan 8.210 nan 0.000 0.414 404 Y N 0.906 121.197 120.300 -0.015 0.000 2.274 404 Y HA -0.259 4.281 4.550 -0.016 0.000 0.290 404 Y C 2.569 178.423 175.900 -0.077 0.000 1.145 404 Y CA 1.397 59.478 58.100 -0.032 0.000 1.203 404 Y CB -0.623 37.814 38.460 -0.037 0.000 0.984 404 Y HN 0.202 nan 8.280 nan 0.000 0.533 405 E N 0.233 120.468 120.200 0.058 0.000 2.107 405 E HA -0.093 4.247 4.350 -0.016 0.000 0.191 405 E C 2.100 178.536 176.600 -0.273 0.000 0.982 405 E CA 0.937 57.231 56.400 -0.176 0.000 0.809 405 E CB -0.467 29.081 29.700 -0.252 0.000 0.756 405 E HN 0.449 nan 8.360 nan 0.000 0.459 406 I N 0.749 121.271 120.570 -0.081 0.000 2.099 406 I HA -0.317 3.844 4.170 -0.016 0.000 0.239 406 I C 2.299 178.376 176.117 -0.066 0.000 1.066 406 I CA 1.473 62.673 61.300 -0.167 0.000 1.324 406 I CB -0.484 37.411 38.000 -0.174 0.000 1.037 406 I HN 0.199 nan 8.210 nan 0.000 0.401 407 N N 0.729 119.458 118.700 0.047 0.000 2.036 407 N HA -0.304 4.426 4.740 -0.016 0.000 0.195 407 N C 1.835 177.428 175.510 0.137 0.000 1.037 407 N CA 1.840 54.988 53.050 0.163 0.000 0.855 407 N CB -0.235 38.369 38.487 0.195 0.000 1.033 407 N HN 0.210 nan 8.380 nan 0.000 0.423 408 Q N 0.361 120.178 119.800 0.028 0.000 2.135 408 Q HA -0.027 4.303 4.340 -0.016 0.000 0.204 408 Q C 1.992 177.959 176.000 -0.055 0.000 0.981 408 Q CA 1.629 57.413 55.803 -0.031 0.000 0.856 408 Q CB -0.086 28.592 28.738 -0.099 0.000 0.902 408 Q HN 0.382 nan 8.270 nan 0.000 0.425 409 R N -1.395 119.042 120.500 -0.105 0.000 2.093 409 R HA -0.022 4.308 4.340 -0.016 0.000 0.224 409 R C 2.001 178.332 176.300 0.051 0.000 1.101 409 R CA 1.004 57.046 56.100 -0.096 0.000 0.979 409 R CB -0.369 29.791 30.300 -0.234 0.000 0.877 409 R HN 0.263 nan 8.270 nan 0.000 0.441 410 F N 1.642 121.584 119.950 -0.013 0.000 2.031 410 F HA -0.169 4.349 4.527 -0.016 0.000 0.295 410 F C 1.811 177.651 175.800 0.066 0.000 1.133 410 F CA 1.514 59.568 58.000 0.089 0.000 1.188 410 F CB -0.504 38.585 39.000 0.148 0.000 0.974 410 F HN -0.121 nan 8.300 nan 0.000 0.473 411 L N 0.325 121.554 121.223 0.009 0.000 2.129 411 L HA -0.295 4.036 4.340 -0.016 0.000 0.212 411 L C 2.119 178.916 176.870 -0.121 0.000 1.087 411 L CA 1.343 56.123 54.840 -0.101 0.000 0.757 411 L CB -0.909 41.170 42.059 0.034 0.000 0.896 411 L HN 0.246 nan 8.230 nan 0.000 0.434 412 N N 0.031 118.682 118.700 -0.081 0.000 2.244 412 N HA -0.125 4.605 4.740 -0.016 0.000 0.183 412 N C 1.901 177.349 175.510 -0.102 0.000 1.016 412 N CA 1.014 54.017 53.050 -0.079 0.000 0.866 412 N CB -0.094 38.353 38.487 -0.067 0.000 0.980 412 N HN 0.312 nan 8.380 nan 0.000 0.430 413 R N 0.065 120.488 120.500 -0.128 0.000 2.062 413 R HA 0.041 4.372 4.340 -0.016 0.000 0.229 413 R C 2.054 178.220 176.300 -0.222 0.000 1.128 413 R CA 0.676 56.690 56.100 -0.143 0.000 0.960 413 R CB -0.467 29.775 30.300 -0.098 0.000 0.855 413 R HN 0.026 nan 8.270 nan 0.000 0.432 414 V N 1.434 121.162 119.914 -0.311 0.000 2.233 414 V HA -0.303 3.807 4.120 -0.016 0.000 0.247 414 V C 2.531 178.553 176.094 -0.119 0.000 1.050 414 V CA 2.145 64.301 62.300 -0.240 0.000 1.010 414 V CB -0.901 30.740 31.823 -0.303 0.000 0.637 414 V HN 0.422 nan 8.190 nan 0.000 0.444 415 A N -0.126 122.637 122.820 -0.094 0.000 1.958 415 A HA -0.230 4.080 4.320 -0.016 0.000 0.221 415 A C 2.323 179.859 177.584 -0.080 0.000 1.178 415 A CA 2.515 54.522 52.037 -0.051 0.000 0.642 415 A CB -0.804 18.166 19.000 -0.051 0.000 0.816 415 A HN 0.677 nan 8.150 nan 0.000 0.453 416 A N -0.999 121.746 122.820 -0.124 0.000 2.066 416 A HA 0.360 4.670 4.320 -0.016 0.000 0.218 416 A C 2.312 179.768 177.584 -0.213 0.000 1.157 416 A CA 1.589 53.547 52.037 -0.133 0.000 0.670 416 A CB -0.577 18.356 19.000 -0.113 0.000 0.804 416 A HN 0.973 nan 8.150 nan 0.000 0.453 417 A N -1.228 121.372 122.820 -0.366 0.000 1.943 417 A HA 0.391 4.702 4.320 -0.016 0.000 0.213 417 A C 0.403 177.498 177.584 -0.815 0.000 1.181 417 A CA 0.533 52.153 52.037 -0.695 0.000 0.653 417 A CB -0.106 18.248 19.000 -1.077 0.000 0.833 417 A HN 0.418 nan 8.150 nan 0.000 0.451 418 F N -0.054 119.850 119.950 -0.077 0.000 2.523 418 F HA 0.360 4.878 4.527 -0.016 0.000 0.322 418 F C -2.828 172.935 175.800 -0.061 0.000 1.361 418 F CA -3.341 54.618 58.000 -0.068 0.000 1.151 418 F CB 0.395 39.345 39.000 -0.082 0.000 1.391 418 F HN -0.077 nan 8.300 nan 0.000 0.566 419 P HA 0.161 nan 4.420 nan 0.000 0.258 419 P C 1.050 178.368 177.300 0.030 0.000 1.187 419 P CA 1.279 64.389 63.100 0.016 0.000 0.767 419 P CB 0.586 32.281 31.700 -0.009 0.000 0.770 420 G N 3.100 111.912 108.800 0.019 0.000 2.241 420 G HA2 -0.240 3.711 3.960 -0.016 0.000 0.244 420 G HA3 -0.240 3.711 3.960 -0.016 0.000 0.244 420 G C 0.389 175.299 174.900 0.016 0.000 0.998 420 G CA -0.126 44.982 45.100 0.013 0.000 0.621 420 G HN 0.568 nan 8.290 nan 0.000 0.519 421 D N 1.583 122.004 120.400 0.035 0.000 2.482 421 D HA 0.374 5.005 4.640 -0.016 0.000 0.244 421 D C 1.791 178.092 176.300 0.002 0.000 1.242 421 D CA 0.447 54.456 54.000 0.014 0.000 1.097 421 D CB 0.479 41.291 40.800 0.020 0.000 1.109 421 D HN 0.150 nan 8.370 nan 0.000 0.510 422 V N 2.594 122.506 119.914 -0.003 0.000 2.358 422 V HA -0.203 3.908 4.120 -0.016 0.000 0.246 422 V C 2.082 178.173 176.094 -0.006 0.000 1.047 422 V CA 1.539 63.837 62.300 -0.003 0.000 1.035 422 V CB -0.294 31.528 31.823 -0.002 0.000 0.658 422 V HN 0.436 nan 8.190 nan 0.000 0.452 423 D N 0.109 120.502 120.400 -0.012 0.000 2.178 423 D HA -0.203 4.428 4.640 -0.016 0.000 0.202 423 D C 2.207 178.494 176.300 -0.022 0.000 0.974 423 D CA 1.161 55.155 54.000 -0.010 0.000 0.841 423 D CB -0.082 40.710 40.800 -0.014 0.000 0.953 423 D HN 0.272 nan 8.370 nan 0.000 0.478 424 R N -0.280 120.189 120.500 -0.051 0.000 2.083 424 R HA -0.122 4.208 4.340 -0.016 0.000 0.237 424 R C 2.132 178.394 176.300 -0.063 0.000 1.137 424 R CA 1.170 57.214 56.100 -0.094 0.000 0.951 424 R CB -0.829 29.388 30.300 -0.138 0.000 0.851 424 R HN 0.164 nan 8.270 nan 0.000 0.434 425 L N 1.060 122.266 121.223 -0.029 0.000 2.013 425 L HA -0.157 4.174 4.340 -0.016 0.000 0.212 425 L C 2.660 179.551 176.870 0.036 0.000 1.073 425 L CA 2.142 56.980 54.840 -0.004 0.000 0.753 425 L CB -0.907 41.154 42.059 0.002 0.000 0.890 425 L HN 0.276 nan 8.230 nan 0.000 0.432 426 R N -0.245 120.276 120.500 0.036 0.000 2.091 426 R HA -0.158 4.172 4.340 -0.016 0.000 0.238 426 R C 2.374 178.736 176.300 0.103 0.000 1.136 426 R CA 1.546 57.685 56.100 0.066 0.000 0.959 426 R CB -0.115 30.214 30.300 0.048 0.000 0.856 426 R HN 0.340 nan 8.270 nan 0.000 0.437 427 R N -0.479 120.064 120.500 0.072 0.000 2.148 427 R HA -0.014 4.316 4.340 -0.016 0.000 0.227 427 R C 1.890 178.283 176.300 0.155 0.000 1.103 427 R CA 1.318 57.484 56.100 0.111 0.000 0.983 427 R CB -0.037 30.284 30.300 0.035 0.000 0.874 427 R HN 0.290 nan 8.270 nan 0.000 0.451 428 M N 0.090 119.708 119.600 0.029 0.000 2.431 428 M HA 0.084 4.554 4.480 -0.016 0.000 0.237 428 M C 0.387 176.864 176.300 0.294 0.000 1.130 428 M CA -0.088 55.178 55.300 -0.056 0.000 1.002 428 M CB 0.937 33.361 32.600 -0.293 0.000 1.524 428 M HN -0.129 nan 8.290 nan 0.000 0.482 429 S N 1.075 116.974 115.700 0.331 0.000 2.531 429 S HA 0.226 4.686 4.470 -0.016 0.000 0.279 429 S C 1.145 176.045 174.600 0.501 0.000 1.305 429 S CA -0.449 57.965 58.200 0.357 0.000 1.058 429 S CB 0.572 63.911 63.200 0.232 0.000 0.899 429 S HN 0.418 nan 8.310 nan 0.000 0.493 430 L N 4.559 126.033 121.223 0.420 0.000 2.362 430 L HA 0.062 4.393 4.340 -0.016 0.000 0.219 430 L C 0.306 177.287 176.870 0.185 0.000 1.134 430 L CA 0.364 55.397 54.840 0.320 0.000 0.807 430 L CB -0.560 41.611 42.059 0.188 0.000 0.927 430 L HN 0.407 nan 8.230 nan 0.000 0.447 431 V N 0.779 120.819 119.914 0.211 0.000 2.383 431 V HA 0.181 4.292 4.120 -0.016 0.000 0.275 431 V C 0.108 176.289 176.094 0.145 0.000 1.036 431 V CA -0.609 61.798 62.300 0.178 0.000 0.889 431 V CB 1.430 33.395 31.823 0.238 0.000 0.985 431 V HN 0.167 nan 8.190 nan 0.000 0.459 432 E N 3.871 124.132 120.200 0.101 0.000 2.156 432 E HA 0.393 4.734 4.350 -0.016 0.000 0.279 432 E C -0.576 176.074 176.600 0.083 0.000 0.965 432 E CA -0.674 55.776 56.400 0.083 0.000 0.789 432 E CB 1.884 31.610 29.700 0.043 0.000 1.098 432 E HN 0.585 nan 8.360 nan 0.000 0.397 433 E N 0.927 121.173 120.200 0.078 0.000 2.359 433 E HA 0.586 4.927 4.350 -0.016 0.000 0.255 433 E C 0.532 177.169 176.600 0.062 0.000 1.191 433 E CA -0.345 56.096 56.400 0.069 0.000 0.952 433 E CB 1.244 30.979 29.700 0.058 0.000 1.152 433 E HN 0.752 nan 8.360 nan 0.000 0.496 434 G N -0.907 107.927 108.800 0.057 0.000 2.302 434 G HA2 0.097 4.048 3.960 -0.016 0.000 0.276 434 G HA3 0.097 4.048 3.960 -0.016 0.000 0.276 434 G C 0.331 175.265 174.900 0.056 0.000 1.316 434 G CA 0.223 45.355 45.100 0.054 0.000 0.988 434 G HN 0.456 nan 8.290 nan 0.000 0.479 435 A N -1.274 121.578 122.820 0.055 0.000 1.972 435 A HA 0.451 4.762 4.320 -0.016 0.000 0.219 435 A C 1.074 178.701 177.584 0.071 0.000 1.169 435 A CA 2.383 54.453 52.037 0.055 0.000 0.635 435 A CB -0.184 18.846 19.000 0.050 0.000 0.810 435 A HN 1.627 nan 8.150 nan 0.000 0.446 436 V N 0.959 120.924 119.914 0.084 0.000 2.447 436 V HA 0.186 4.297 4.120 -0.016 0.000 0.292 436 V C -0.511 175.647 176.094 0.107 0.000 1.021 436 V CA -0.896 61.472 62.300 0.114 0.000 0.850 436 V CB 1.615 33.516 31.823 0.131 0.000 1.005 436 V HN 0.351 nan 8.190 nan 0.000 0.426 437 K N 4.701 125.170 120.400 0.116 0.000 2.412 437 K HA 0.474 4.785 4.320 -0.016 0.000 0.281 437 K C -0.093 176.569 176.600 0.103 0.000 1.027 437 K CA -0.062 56.291 56.287 0.109 0.000 0.989 437 K CB 0.858 33.434 32.500 0.126 0.000 0.935 437 K HN 0.548 nan 8.250 nan 0.000 0.475 438 R N 1.913 122.463 120.500 0.083 0.000 2.912 438 R HA 0.505 4.835 4.340 -0.016 0.000 0.262 438 R C -0.685 175.643 176.300 0.047 0.000 1.057 438 R CA -1.085 55.052 56.100 0.062 0.000 0.981 438 R CB 1.285 31.607 30.300 0.037 0.000 1.201 438 R HN 0.367 nan 8.270 nan 0.000 0.484 439 I N 1.963 122.552 120.570 0.031 0.000 2.382 439 I HA 0.147 4.308 4.170 -0.016 0.000 0.286 439 I C -0.279 175.807 176.117 -0.051 0.000 1.002 439 I CA -0.747 60.557 61.300 0.006 0.000 1.135 439 I CB 1.272 39.269 38.000 -0.005 0.000 1.288 439 I HN 0.504 nan 8.210 nan 0.000 0.448 440 N N 7.010 125.646 118.700 -0.106 0.000 2.399 440 N HA 0.047 4.778 4.740 -0.016 0.000 0.259 440 N C 0.930 176.334 175.510 -0.178 0.000 1.160 440 N CA -0.307 52.604 53.050 -0.232 0.000 0.946 440 N CB 0.911 39.101 38.487 -0.495 0.000 1.156 440 N HN 0.388 nan 8.380 nan 0.000 0.489 441 M N 2.797 122.294 119.600 -0.171 0.000 2.159 441 M HA -0.104 4.366 4.480 -0.016 0.000 0.263 441 M C 2.069 178.221 176.300 -0.247 0.000 1.063 441 M CA 0.920 56.135 55.300 -0.142 0.000 1.110 441 M CB -1.687 30.867 32.600 -0.078 0.000 1.374 441 M HN 0.622 nan 8.290 nan 0.000 0.411 442 A N -0.634 122.028 122.820 -0.263 0.000 1.902 442 A HA -0.194 4.117 4.320 -0.016 0.000 0.217 442 A C 2.032 179.396 177.584 -0.368 0.000 1.181 442 A CA 1.642 53.475 52.037 -0.341 0.000 0.623 442 A CB -1.178 17.788 19.000 -0.056 0.000 0.818 442 A HN 0.618 nan 8.150 nan 0.000 0.443 443 H N -1.184 117.666 119.070 -0.365 0.000 2.389 443 H HA -0.026 4.520 4.556 -0.016 0.000 0.299 443 H C 2.143 177.240 175.328 -0.385 0.000 1.081 443 H CA 0.890 56.684 56.048 -0.423 0.000 1.345 443 H CB -0.045 29.678 29.762 -0.065 0.000 1.393 443 H HN 0.399 nan 8.280 nan 0.000 0.520 444 L N 0.423 121.565 121.223 -0.136 0.000 1.955 444 L HA -0.260 4.070 4.340 -0.016 0.000 0.213 444 L C 2.410 179.166 176.870 -0.190 0.000 1.072 444 L CA 1.548 56.315 54.840 -0.121 0.000 0.755 444 L CB -0.470 41.536 42.059 -0.087 0.000 0.888 444 L HN 0.442 nan 8.230 nan 0.000 0.432 445 C N 0.121 119.226 119.300 -0.325 0.000 2.396 445 C HA -0.234 4.216 4.460 -0.016 0.000 0.277 445 C C 2.643 177.454 174.990 -0.299 0.000 1.231 445 C CA 0.821 59.606 59.018 -0.388 0.000 1.775 445 C CB -1.059 26.136 27.740 -0.910 0.000 2.036 445 C HN 0.526 nan 8.230 nan 0.000 0.484 446 I N 1.314 121.643 120.570 -0.401 0.000 2.193 446 I HA -0.152 4.008 4.170 -0.016 0.000 0.240 446 I C 2.791 178.760 176.117 -0.246 0.000 1.084 446 I CA 1.591 62.663 61.300 -0.380 0.000 1.365 446 I CB -0.675 36.915 38.000 -0.683 0.000 1.064 446 I HN 0.250 nan 8.210 nan 0.000 0.410 447 A N 0.602 123.223 122.820 -0.333 0.000 2.019 447 A HA -0.082 4.228 4.320 -0.016 0.000 0.219 447 A C 2.188 179.837 177.584 0.107 0.000 1.164 447 A CA 1.834 53.714 52.037 -0.261 0.000 0.644 447 A CB -1.006 17.609 19.000 -0.643 0.000 0.805 447 A HN 0.502 nan 8.150 nan 0.000 0.449 448 G N -1.510 107.290 108.800 -0.001 0.000 3.126 448 G HA2 0.401 4.352 3.960 -0.016 0.000 0.224 448 G HA3 0.401 4.352 3.960 -0.016 0.000 0.224 448 G C 0.238 174.983 174.900 -0.259 0.000 1.142 448 G CA 0.527 45.509 45.100 -0.196 0.000 0.759 448 G HN 0.361 nan 8.290 nan 0.000 0.550 449 S N -0.208 115.414 115.700 -0.131 0.000 2.607 449 S HA 0.369 4.830 4.470 -0.016 0.000 0.303 449 S C 0.648 175.259 174.600 0.018 0.000 1.086 449 S CA -0.673 57.510 58.200 -0.028 0.000 0.995 449 S CB 1.330 64.533 63.200 0.006 0.000 1.084 449 S HN 0.476 nan 8.310 nan 0.000 0.507 450 H N -0.419 118.618 119.070 -0.054 0.000 2.553 450 H HA 0.559 5.106 4.556 -0.016 0.000 0.265 450 H C 0.025 175.363 175.328 0.016 0.000 0.964 450 H CA 0.188 56.236 56.048 0.001 0.000 1.156 450 H CB -0.039 29.727 29.762 0.008 0.000 1.411 450 H HN 0.523 nan 8.280 nan 0.000 0.558 451 A N 0.784 123.299 122.820 -0.509 0.000 2.520 451 A HA 0.593 4.903 4.320 -0.016 0.000 0.298 451 A C -1.471 175.930 177.584 -0.306 0.000 1.051 451 A CA -0.525 51.233 52.037 -0.465 0.000 0.690 451 A CB 2.051 20.683 19.000 -0.613 0.000 1.281 451 A HN 0.081 nan 8.150 nan 0.000 0.402 452 V N 3.490 123.182 119.914 -0.371 0.000 2.709 452 V HA 0.640 4.750 4.120 -0.016 0.000 0.308 452 V C -0.664 175.264 176.094 -0.278 0.000 1.062 452 V CA -0.748 61.332 62.300 -0.367 0.000 0.901 452 V CB 1.996 33.451 31.823 -0.613 0.000 1.003 452 V HN 1.063 nan 8.190 nan 0.000 0.425 453 N N 2.227 120.788 118.700 -0.233 0.000 2.329 453 N HA 0.607 5.337 4.740 -0.016 0.000 0.282 453 N C -0.485 174.952 175.510 -0.123 0.000 1.198 453 N CA -0.392 52.569 53.050 -0.149 0.000 0.790 453 N CB 2.872 41.254 38.487 -0.176 0.000 1.579 453 N HN 0.725 nan 8.380 nan 0.000 0.475 454 G N -0.753 108.012 108.800 -0.058 0.000 2.491 454 G HA2 0.426 4.377 3.960 -0.016 0.000 0.327 454 G HA3 0.426 4.377 3.960 -0.016 0.000 0.327 454 G C 0.818 175.787 174.900 0.116 0.000 1.189 454 G CA -0.634 44.505 45.100 0.066 0.000 0.956 454 G HN 0.614 nan 8.290 nan 0.000 0.491 455 V N -2.870 117.192 119.914 0.247 0.000 3.514 455 V HA 0.654 4.764 4.120 -0.016 0.000 0.301 455 V C 0.621 176.767 176.094 0.086 0.000 1.346 455 V CA 0.304 62.647 62.300 0.072 0.000 1.156 455 V CB -1.149 30.640 31.823 -0.056 0.000 1.029 455 V HN 1.417 nan 8.190 nan 0.000 0.428 456 A N -0.417 122.479 122.820 0.126 0.000 2.590 456 A HA 0.593 4.904 4.320 -0.016 0.000 0.296 456 A C 0.592 178.223 177.584 0.077 0.000 1.050 456 A CA -0.087 52.007 52.037 0.096 0.000 0.697 456 A CB 0.879 19.929 19.000 0.082 0.000 1.277 456 A HN 0.077 nan 8.150 nan 0.000 0.411 457 R N 0.962 121.487 120.500 0.041 0.000 2.136 457 R HA -0.220 4.110 4.340 -0.016 0.000 0.242 457 R C 1.834 178.130 176.300 -0.005 0.000 1.131 457 R CA 2.589 58.692 56.100 0.005 0.000 0.937 457 R CB -0.322 29.979 30.300 0.002 0.000 0.863 457 R HN 0.828 nan 8.270 nan 0.000 0.435 458 I N -0.141 120.435 120.570 0.010 0.000 2.286 458 I HA -0.296 3.865 4.170 -0.016 0.000 0.248 458 I C 2.288 178.408 176.117 0.004 0.000 1.115 458 I CA 1.943 63.240 61.300 -0.004 0.000 1.392 458 I CB -0.248 37.752 38.000 0.001 0.000 1.065 458 I HN 0.384 nan 8.210 nan 0.000 0.418 459 H N 0.566 119.604 119.070 -0.053 0.000 2.321 459 H HA -0.132 4.415 4.556 -0.016 0.000 0.300 459 H C 2.253 177.538 175.328 -0.071 0.000 1.087 459 H CA 2.253 58.263 56.048 -0.063 0.000 1.319 459 H CB -0.263 29.469 29.762 -0.050 0.000 1.379 459 H HN 0.285 nan 8.280 nan 0.000 0.501 460 S N 0.318 115.898 115.700 -0.199 0.000 2.423 460 S HA -0.097 4.363 4.470 -0.016 0.000 0.231 460 S C 1.868 176.345 174.600 -0.205 0.000 1.014 460 S CA 0.988 59.055 58.200 -0.222 0.000 0.965 460 S CB 0.005 63.150 63.200 -0.093 0.000 0.785 460 S HN 0.448 nan 8.310 nan 0.000 0.495 461 E N 1.597 121.694 120.200 -0.173 0.000 2.046 461 E HA 0.008 4.348 4.350 -0.016 0.000 0.190 461 E C 2.052 178.518 176.600 -0.224 0.000 0.982 461 E CA 0.702 56.989 56.400 -0.187 0.000 0.800 461 E CB -0.417 29.205 29.700 -0.131 0.000 0.756 461 E HN 0.535 nan 8.360 nan 0.000 0.449 462 I N 1.138 121.587 120.570 -0.201 0.000 2.264 462 I HA -0.280 3.881 4.170 -0.016 0.000 0.248 462 I C 2.478 178.427 176.117 -0.279 0.000 1.111 462 I CA 0.896 62.074 61.300 -0.203 0.000 1.382 462 I CB -0.506 37.398 38.000 -0.159 0.000 1.060 462 I HN 0.042 nan 8.210 nan 0.000 0.418 463 L N 0.749 121.762 121.223 -0.349 0.000 2.042 463 L HA -0.220 4.111 4.340 -0.016 0.000 0.210 463 L C 2.511 179.201 176.870 -0.300 0.000 1.076 463 L CA 1.725 56.332 54.840 -0.387 0.000 0.749 463 L CB -0.556 41.357 42.059 -0.244 0.000 0.893 463 L HN 0.267 nan 8.230 nan 0.000 0.432 464 K N -0.293 119.877 120.400 -0.382 0.000 2.305 464 K HA -0.066 4.244 4.320 -0.016 0.000 0.199 464 K C 1.993 178.326 176.600 -0.446 0.000 1.047 464 K CA 0.649 56.544 56.287 -0.653 0.000 0.976 464 K CB 0.176 32.002 32.500 -1.123 0.000 0.765 464 K HN 0.260 nan 8.250 nan 0.000 0.474 465 K N -0.325 119.892 120.400 -0.304 0.000 2.211 465 K HA 0.041 4.352 4.320 -0.016 0.000 0.201 465 K C 1.223 177.743 176.600 -0.132 0.000 1.052 465 K CA 0.980 57.152 56.287 -0.191 0.000 0.973 465 K CB 0.527 32.930 32.500 -0.161 0.000 0.766 465 K HN 0.041 nan 8.250 nan 0.000 0.466 466 T N 0.491 114.955 114.554 -0.150 0.000 3.257 466 T HA 0.061 4.401 4.350 -0.016 0.000 0.176 466 T C 1.533 176.179 174.700 -0.090 0.000 0.892 466 T CA -0.386 61.649 62.100 -0.109 0.000 1.147 466 T CB -0.495 68.304 68.868 -0.115 0.000 1.840 466 T HN -0.088 nan 8.240 nan 0.000 0.375 467 I N 1.106 121.569 120.570 -0.179 0.000 2.145 467 I HA -0.153 4.008 4.170 -0.016 0.000 0.244 467 I C 0.575 176.737 176.117 0.075 0.000 1.075 467 I CA 1.799 62.986 61.300 -0.187 0.000 1.332 467 I CB -0.171 37.532 38.000 -0.494 0.000 1.033 467 I HN 0.272 nan 8.210 nan 0.000 0.410 468 F N 0.260 120.303 119.950 0.156 0.000 2.772 468 F HA 0.292 4.810 4.527 -0.016 0.000 0.302 468 F C 1.741 177.607 175.800 0.110 0.000 1.136 468 F CA -0.650 57.532 58.000 0.303 0.000 1.322 468 F CB -1.144 38.075 39.000 0.365 0.000 0.967 468 F HN 0.010 nan 8.300 nan 0.000 0.513 469 K N 0.871 121.360 120.400 0.148 0.000 2.103 469 K HA -0.176 4.134 4.320 -0.016 0.000 0.207 469 K C 1.179 177.818 176.600 0.065 0.000 1.048 469 K CA 2.061 58.379 56.287 0.051 0.000 0.930 469 K CB 0.050 32.547 32.500 -0.005 0.000 0.716 469 K HN 0.139 nan 8.250 nan 0.000 0.444 470 D N 0.028 120.447 120.400 0.031 0.000 2.097 470 D HA -0.140 4.490 4.640 -0.016 0.000 0.197 470 D C 1.884 178.118 176.300 -0.109 0.000 0.984 470 D CA 1.205 55.107 54.000 -0.163 0.000 0.826 470 D CB -0.342 40.259 40.800 -0.332 0.000 0.973 470 D HN 0.238 nan 8.370 nan 0.000 0.460 471 F N 0.297 120.355 119.950 0.180 0.000 2.171 471 F HA -0.161 4.356 4.527 -0.016 0.000 0.300 471 F C 2.389 178.355 175.800 0.277 0.000 1.090 471 F CA 0.585 58.779 58.000 0.323 0.000 1.293 471 F CB -0.682 38.599 39.000 0.469 0.000 1.013 471 F HN -0.018 nan 8.300 nan 0.000 0.486 472 Y N 1.234 121.492 120.300 -0.070 0.000 2.242 472 Y HA -0.163 4.378 4.550 -0.016 0.000 0.291 472 Y C 2.090 177.950 175.900 -0.065 0.000 1.137 472 Y CA 1.569 59.419 58.100 -0.417 0.000 1.181 472 Y CB -0.600 37.450 38.460 -0.683 0.000 0.989 472 Y HN 0.127 nan 8.280 nan 0.000 0.527 473 E N -0.174 119.956 120.200 -0.117 0.000 2.150 473 E HA -0.169 4.172 4.350 -0.016 0.000 0.193 473 E C 2.170 178.859 176.600 0.149 0.000 0.985 473 E CA 0.901 57.245 56.400 -0.094 0.000 0.814 473 E CB -0.133 29.502 29.700 -0.109 0.000 0.752 473 E HN 0.433 nan 8.360 nan 0.000 0.466 474 L N 0.698 122.056 121.223 0.226 0.000 2.102 474 L HA -0.007 4.324 4.340 -0.016 0.000 0.202 474 L C 0.147 177.079 176.870 0.102 0.000 1.076 474 L CA 1.487 56.476 54.840 0.248 0.000 0.761 474 L CB 0.205 42.420 42.059 0.261 0.000 0.921 474 L HN 0.015 nan 8.230 nan 0.000 0.444 475 E N 0.442 120.695 120.200 0.089 0.000 3.386 475 E HA 0.166 4.507 4.350 -0.016 0.000 0.236 475 E C -1.892 174.618 176.600 -0.150 0.000 1.227 475 E CA -1.384 54.922 56.400 -0.156 0.000 0.970 475 E CB 0.989 30.590 29.700 -0.165 0.000 1.343 475 E HN 0.235 nan 8.360 nan 0.000 0.397 476 P HA -0.251 nan 4.420 nan 0.000 0.219 476 P C 1.199 178.586 177.300 0.144 0.000 1.146 476 P CA 1.381 64.341 63.100 -0.232 0.000 0.808 476 P CB -0.072 31.369 31.700 -0.430 0.000 0.779 477 H N 0.082 119.256 119.070 0.173 0.000 2.491 477 H HA 0.065 4.612 4.556 -0.016 0.000 0.290 477 H C 1.505 176.918 175.328 0.142 0.000 1.050 477 H CA 0.673 56.809 56.048 0.147 0.000 1.309 477 H CB -0.426 29.393 29.762 0.094 0.000 1.392 477 H HN 0.147 nan 8.280 nan 0.000 0.554 478 K N 0.565 120.978 120.400 0.022 0.000 2.103 478 K HA 0.012 4.323 4.320 -0.016 0.000 0.204 478 K C 0.036 176.537 176.600 -0.165 0.000 1.052 478 K CA 0.281 56.518 56.287 -0.083 0.000 0.945 478 K CB -0.007 32.281 32.500 -0.355 0.000 0.722 478 K HN 0.099 nan 8.250 nan 0.000 0.443 479 F N 2.200 122.190 119.950 0.067 0.000 2.495 479 F HA 0.083 4.600 4.527 -0.016 0.000 0.365 479 F C 0.745 176.554 175.800 0.015 0.000 1.090 479 F CA 0.257 58.295 58.000 0.063 0.000 1.235 479 F CB 0.466 39.554 39.000 0.147 0.000 1.119 479 F HN -0.003 nan 8.300 nan 0.000 0.562 480 Q N 1.379 121.225 119.800 0.076 0.000 2.943 480 Q HA 0.394 4.724 4.340 -0.016 0.000 0.328 480 Q C -1.282 174.687 176.000 -0.051 0.000 0.934 480 Q CA -1.309 54.486 55.803 -0.012 0.000 0.782 480 Q CB 2.881 31.557 28.738 -0.104 0.000 1.470 480 Q HN 0.661 nan 8.270 nan 0.000 0.503 481 N N 0.306 118.945 118.700 -0.101 0.000 2.235 481 N HA 0.276 5.006 4.740 -0.016 0.000 0.293 481 N C -1.601 173.798 175.510 -0.186 0.000 1.083 481 N CA -0.391 52.595 53.050 -0.106 0.000 0.801 481 N CB 1.332 39.778 38.487 -0.068 0.000 1.559 481 N HN 0.294 nan 8.380 nan 0.000 0.472 482 K N 2.697 122.986 120.400 -0.185 0.000 2.814 482 K HA 0.173 4.484 4.320 -0.016 0.000 0.205 482 K C -1.030 175.537 176.600 -0.056 0.000 1.093 482 K CA -0.444 55.679 56.287 -0.273 0.000 1.035 482 K CB 1.021 33.106 32.500 -0.691 0.000 1.220 482 K HN 0.550 nan 8.250 nan 0.000 0.576 483 T N 2.038 116.586 114.554 -0.009 0.000 2.831 483 T HA 0.036 4.377 4.350 -0.016 0.000 0.291 483 T C 0.705 175.502 174.700 0.162 0.000 0.981 483 T CA 0.384 62.534 62.100 0.083 0.000 1.174 483 T CB -0.008 68.912 68.868 0.087 0.000 0.929 483 T HN 0.340 nan 8.240 nan 0.000 0.532 484 N N 1.173 119.994 118.700 0.202 0.000 2.265 484 N HA 0.274 5.005 4.740 -0.016 0.000 0.231 484 N C 0.616 176.291 175.510 0.275 0.000 1.266 484 N CA -0.174 53.031 53.050 0.259 0.000 0.862 484 N CB 0.388 38.967 38.487 0.153 0.000 1.100 484 N HN 0.726 nan 8.380 nan 0.000 0.439 485 G N -0.143 108.836 108.800 0.298 0.000 2.714 485 G HA2 0.715 4.665 3.960 -0.016 0.000 0.292 485 G HA3 0.715 4.665 3.960 -0.016 0.000 0.292 485 G C -1.397 173.606 174.900 0.172 0.000 1.308 485 G CA -0.301 44.960 45.100 0.268 0.000 0.964 485 G HN 0.372 nan 8.290 nan 0.000 0.484 486 I N -0.883 119.785 120.570 0.164 0.000 2.865 486 I HA 0.522 4.682 4.170 -0.016 0.000 0.302 486 I C 0.039 176.301 176.117 0.241 0.000 1.140 486 I CA -0.496 60.876 61.300 0.120 0.000 1.021 486 I CB 2.699 40.653 38.000 -0.076 0.000 1.233 486 I HN 0.459 nan 8.210 nan 0.000 0.427 487 T N 6.605 121.390 114.554 0.384 0.000 2.771 487 T HA 0.403 4.744 4.350 -0.016 0.000 0.291 487 T C -1.777 173.063 174.700 0.233 0.000 0.954 487 T CA -1.792 60.461 62.100 0.256 0.000 1.045 487 T CB 1.105 70.071 68.868 0.163 0.000 0.917 487 T HN 0.426 nan 8.240 nan 0.000 0.484 488 P HA -0.010 nan 4.420 nan 0.000 0.226 488 P C 1.107 178.398 177.300 -0.014 0.000 1.153 488 P CA 0.487 63.637 63.100 0.083 0.000 0.777 488 P CB 0.451 32.178 31.700 0.045 0.000 0.794 489 R N 0.430 120.877 120.500 -0.088 0.000 2.070 489 R HA -0.006 4.324 4.340 -0.016 0.000 0.227 489 R C 2.779 179.001 176.300 -0.130 0.000 1.147 489 R CA 1.630 57.645 56.100 -0.142 0.000 0.924 489 R CB -1.292 28.940 30.300 -0.113 0.000 0.827 489 R HN 0.042 nan 8.270 nan 0.000 0.431 490 R N -0.686 119.689 120.500 -0.208 0.000 2.070 490 R HA -0.127 4.203 4.340 -0.016 0.000 0.233 490 R C 1.520 177.557 176.300 -0.438 0.000 1.137 490 R CA 1.785 57.630 56.100 -0.426 0.000 0.945 490 R CB -0.356 29.525 30.300 -0.699 0.000 0.845 490 R HN 0.308 nan 8.270 nan 0.000 0.430 491 W N 0.002 121.265 121.300 -0.061 0.000 3.096 491 W HA 0.048 4.698 4.660 -0.017 0.000 0.241 491 W C 1.148 177.644 176.519 -0.037 0.000 1.316 491 W CA -0.544 56.764 57.345 -0.061 0.000 1.520 491 W CB 0.292 29.718 29.460 -0.057 0.000 1.128 491 W HN 0.298 nan 8.180 nan 0.000 0.707 492 L N -2.580 118.727 121.223 0.139 0.000 2.376 492 L HA 0.126 4.457 4.340 -0.016 0.000 0.153 492 L C 1.771 178.680 176.870 0.065 0.000 1.272 492 L CA 0.735 55.647 54.840 0.119 0.000 1.005 492 L CB -0.877 41.275 42.059 0.154 0.000 2.027 492 L HN -0.262 nan 8.230 nan 0.000 0.495 493 V N 0.936 120.868 119.914 0.030 0.000 2.332 493 V HA -0.244 3.867 4.120 -0.016 0.000 0.248 493 V C 2.423 178.506 176.094 -0.019 0.000 1.055 493 V CA 2.205 64.507 62.300 0.004 0.000 1.038 493 V CB -0.757 31.036 31.823 -0.050 0.000 0.651 493 V HN 0.367 nan 8.190 nan 0.000 0.450 494 L N 0.516 121.699 121.223 -0.067 0.000 2.022 494 L HA -0.107 4.223 4.340 -0.016 0.000 0.204 494 L C 2.745 179.564 176.870 -0.085 0.000 1.076 494 L CA 2.373 57.151 54.840 -0.102 0.000 0.749 494 L CB -0.993 40.948 42.059 -0.196 0.000 0.903 494 L HN 0.626 nan 8.230 nan 0.000 0.439 495 C N -1.756 117.487 119.300 -0.094 0.000 2.435 495 C HA -0.011 4.440 4.460 -0.016 0.000 0.279 495 C C 1.400 176.391 174.990 0.001 0.000 1.321 495 C CA 0.026 59.014 59.018 -0.050 0.000 1.752 495 C CB -0.974 26.756 27.740 -0.017 0.000 1.959 495 C HN 0.539 nan 8.230 nan 0.000 0.500 496 N N 1.448 120.161 118.700 0.023 0.000 2.918 496 N HA 0.296 5.026 4.740 -0.016 0.000 0.270 496 N C -1.810 173.726 175.510 0.043 0.000 1.536 496 N CA -1.502 51.572 53.050 0.039 0.000 0.877 496 N CB 0.885 39.405 38.487 0.056 0.000 1.190 496 N HN 0.386 nan 8.380 nan 0.000 0.492 497 P HA 0.005 nan 4.420 nan 0.000 0.226 497 P C 1.204 178.529 177.300 0.042 0.000 1.153 497 P CA 0.583 63.704 63.100 0.036 0.000 0.777 497 P CB 0.461 32.173 31.700 0.019 0.000 0.794 498 G N 0.731 109.553 108.800 0.036 0.000 2.395 498 G HA2 -0.180 3.770 3.960 -0.016 0.000 0.214 498 G HA3 -0.180 3.770 3.960 -0.016 0.000 0.214 498 G C 1.446 176.365 174.900 0.032 0.000 1.177 498 G CA 0.315 45.433 45.100 0.031 0.000 0.794 498 G HN 0.219 nan 8.290 nan 0.000 0.532 499 L N 1.368 122.612 121.223 0.035 0.000 2.056 499 L HA 0.234 4.564 4.340 -0.016 0.000 0.207 499 L C 3.035 179.938 176.870 0.054 0.000 1.078 499 L CA 2.036 56.894 54.840 0.030 0.000 0.749 499 L CB -0.589 41.489 42.059 0.032 0.000 0.901 499 L HN 0.220 nan 8.230 nan 0.000 0.433 500 A N -0.994 121.884 122.820 0.096 0.000 1.978 500 A HA -0.260 4.051 4.320 -0.016 0.000 0.220 500 A C 2.289 179.978 177.584 0.174 0.000 1.170 500 A CA 1.861 54.013 52.037 0.191 0.000 0.636 500 A CB -0.634 18.490 19.000 0.207 0.000 0.810 500 A HN 0.629 nan 8.150 nan 0.000 0.448 501 E N 0.183 120.445 120.200 0.102 0.000 2.006 501 E HA -0.169 4.171 4.350 -0.016 0.000 0.192 501 E C 2.053 178.694 176.600 0.067 0.000 0.993 501 E CA 1.446 57.895 56.400 0.081 0.000 0.808 501 E CB -0.311 29.420 29.700 0.052 0.000 0.764 501 E HN 0.742 nan 8.360 nan 0.000 0.449 502 I N -0.817 119.788 120.570 0.058 0.000 2.335 502 I HA -0.237 3.923 4.170 -0.016 0.000 0.251 502 I C 2.156 178.328 176.117 0.091 0.000 1.129 502 I CA 1.277 62.625 61.300 0.080 0.000 1.402 502 I CB -0.472 37.573 38.000 0.075 0.000 1.069 502 I HN 0.119 nan 8.210 nan 0.000 0.424 503 I N 1.928 122.520 120.570 0.036 0.000 2.286 503 I HA -0.169 3.992 4.170 -0.016 0.000 0.245 503 I C 3.058 179.090 176.117 -0.142 0.000 1.104 503 I CA 1.243 62.474 61.300 -0.115 0.000 1.397 503 I CB -0.539 37.263 38.000 -0.330 0.000 1.072 503 I HN 0.293 nan 8.210 nan 0.000 0.417 504 A N 0.751 123.583 122.820 0.021 0.000 1.933 504 A HA -0.211 4.099 4.320 -0.016 0.000 0.218 504 A C 2.142 179.753 177.584 0.045 0.000 1.175 504 A CA 1.545 53.665 52.037 0.140 0.000 0.628 504 A CB -0.589 18.546 19.000 0.225 0.000 0.814 504 A HN 0.461 nan 8.150 nan 0.000 0.444 505 E N -0.745 119.463 120.200 0.013 0.000 2.209 505 E HA -0.192 4.148 4.350 -0.016 0.000 0.196 505 E C 2.135 178.702 176.600 -0.056 0.000 0.993 505 E CA 0.921 57.317 56.400 -0.006 0.000 0.819 505 E CB -0.070 29.632 29.700 0.003 0.000 0.745 505 E HN 0.382 nan 8.360 nan 0.000 0.477 506 R N 0.347 120.759 120.500 -0.147 0.000 2.074 506 R HA 0.096 4.426 4.340 -0.016 0.000 0.218 506 R C 2.362 178.579 176.300 -0.139 0.000 1.137 506 R CA 0.861 56.809 56.100 -0.253 0.000 0.998 506 R CB -0.312 29.558 30.300 -0.716 0.000 0.895 506 R HN 0.316 nan 8.270 nan 0.000 0.442 507 I N -2.525 117.971 120.570 -0.123 0.000 4.025 507 I HA 0.414 4.574 4.170 -0.016 0.000 0.336 507 I C 0.338 176.489 176.117 0.057 0.000 1.390 507 I CA 0.094 61.377 61.300 -0.029 0.000 1.099 507 I CB 0.439 38.407 38.000 -0.053 0.000 1.049 507 I HN 0.154 nan 8.210 nan 0.000 0.394 508 G N 2.321 111.167 108.800 0.076 0.000 2.829 508 G HA2 -0.235 3.715 3.960 -0.016 0.000 0.628 508 G HA3 -0.235 3.715 3.960 -0.016 0.000 0.628 508 G C -0.057 174.977 174.900 0.224 0.000 1.412 508 G CA 0.082 45.251 45.100 0.114 0.000 0.864 508 G HN 0.560 nan 8.290 nan 0.000 0.544 509 E N -0.163 120.111 120.200 0.124 0.000 2.476 509 E HA 0.076 4.416 4.350 -0.016 0.000 0.191 509 E C 1.801 178.321 176.600 -0.133 0.000 1.064 509 E CA 0.444 56.835 56.400 -0.014 0.000 0.866 509 E CB 0.335 30.015 29.700 -0.034 0.000 0.952 509 E HN 0.652 nan 8.360 nan 0.000 0.492 510 E N 0.512 120.728 120.200 0.027 0.000 2.204 510 E HA -0.208 4.133 4.350 -0.016 0.000 0.195 510 E C 1.608 178.200 176.600 -0.013 0.000 0.990 510 E CA 1.019 57.425 56.400 0.010 0.000 0.821 510 E CB -0.099 29.634 29.700 0.056 0.000 0.750 510 E HN 0.514 nan 8.360 nan 0.000 0.477 511 Y N -0.473 119.814 120.300 -0.020 0.000 2.241 511 Y HA -0.208 4.333 4.550 -0.015 0.000 0.286 511 Y C 1.807 177.665 175.900 -0.069 0.000 1.166 511 Y CA 0.973 59.054 58.100 -0.032 0.000 1.203 511 Y CB -0.823 37.624 38.460 -0.021 0.000 0.977 511 Y HN -0.027 nan 8.280 nan 0.000 0.529 512 I N 0.740 120.893 120.570 -0.694 0.000 2.248 512 I HA -0.306 3.855 4.170 -0.016 0.000 0.248 512 I C 1.840 177.704 176.117 -0.422 0.000 1.107 512 I CA 1.901 62.807 61.300 -0.657 0.000 1.373 512 I CB -0.494 36.932 38.000 -0.956 0.000 1.055 512 I HN 0.296 nan 8.210 nan 0.000 0.418 513 S N -0.572 114.969 115.700 -0.264 0.000 2.535 513 S HA 0.033 4.494 4.470 -0.016 0.000 0.214 513 S C 0.137 174.713 174.600 -0.040 0.000 0.980 513 S CA -0.043 58.088 58.200 -0.115 0.000 0.907 513 S CB -0.110 63.082 63.200 -0.013 0.000 0.790 513 S HN 0.558 nan 8.310 nan 0.000 0.510 514 D N 0.435 120.822 120.400 -0.022 0.000 2.351 514 D HA 0.118 4.748 4.640 -0.016 0.000 0.235 514 D C 0.331 176.665 176.300 0.056 0.000 1.331 514 D CA -0.452 53.559 54.000 0.017 0.000 0.959 514 D CB -0.382 40.429 40.800 0.019 0.000 1.432 514 D HN 0.018 nan 8.370 nan 0.000 0.544 515 L N 0.711 121.971 121.223 0.062 0.000 2.349 515 L HA -0.148 4.183 4.340 -0.016 0.000 0.220 515 L C 1.179 178.087 176.870 0.063 0.000 1.130 515 L CA 1.121 56.020 54.840 0.097 0.000 0.791 515 L CB -0.097 42.016 42.059 0.091 0.000 0.918 515 L HN 0.343 nan 8.230 nan 0.000 0.444 516 D N -0.237 120.181 120.400 0.031 0.000 2.311 516 D HA -0.221 4.410 4.640 -0.016 0.000 0.212 516 D C 1.994 178.307 176.300 0.021 0.000 0.972 516 D CA 0.903 54.908 54.000 0.009 0.000 0.887 516 D CB 0.012 40.807 40.800 -0.009 0.000 0.915 516 D HN 0.475 nan 8.370 nan 0.000 0.497 517 Q N -0.293 119.535 119.800 0.046 0.000 2.437 517 Q HA -0.078 4.252 4.340 -0.016 0.000 0.210 517 Q C 1.699 177.712 176.000 0.021 0.000 0.972 517 Q CA 0.070 55.901 55.803 0.047 0.000 0.903 517 Q CB 0.108 28.899 28.738 0.089 0.000 0.967 517 Q HN 0.179 nan 8.270 nan 0.000 0.486 518 L N 0.458 121.690 121.223 0.015 0.000 2.353 518 L HA -0.159 4.171 4.340 -0.016 0.000 0.220 518 L C 1.996 178.866 176.870 0.000 0.000 1.133 518 L CA 1.435 56.262 54.840 -0.021 0.000 0.798 518 L CB -0.310 41.749 42.059 0.000 0.000 0.922 518 L HN 0.109 nan 8.230 nan 0.000 0.445 519 R N -0.452 120.055 120.500 0.012 0.000 2.193 519 R HA -0.155 4.175 4.340 -0.016 0.000 0.229 519 R C 1.904 178.217 176.300 0.021 0.000 1.110 519 R CA 0.803 56.914 56.100 0.017 0.000 0.988 519 R CB -0.230 30.074 30.300 0.007 0.000 0.871 519 R HN 0.428 nan 8.270 nan 0.000 0.458 520 K N 0.654 121.065 120.400 0.019 0.000 2.280 520 K HA -0.063 4.248 4.320 -0.016 0.000 0.202 520 K C 1.767 178.425 176.600 0.098 0.000 1.047 520 K CA 0.779 57.090 56.287 0.041 0.000 0.942 520 K CB -0.052 32.472 32.500 0.040 0.000 0.739 520 K HN 0.200 nan 8.250 nan 0.000 0.457 521 L N 0.614 121.874 121.223 0.060 0.000 2.551 521 L HA -0.084 4.246 4.340 -0.016 0.000 0.228 521 L C 1.571 178.537 176.870 0.160 0.000 1.153 521 L CA -0.033 54.862 54.840 0.090 0.000 0.851 521 L CB -0.255 41.822 42.059 0.030 0.000 0.959 521 L HN 0.119 nan 8.230 nan 0.000 0.451 522 L N -0.532 120.746 121.223 0.092 0.000 2.291 522 L HA -0.066 4.265 4.340 -0.016 0.000 0.214 522 L C 2.370 179.245 176.870 0.009 0.000 1.120 522 L CA 1.333 56.208 54.840 0.059 0.000 0.799 522 L CB -0.754 41.321 42.059 0.028 0.000 0.925 522 L HN 0.110 nan 8.230 nan 0.000 0.446 523 S N -1.618 114.051 115.700 -0.053 0.000 2.607 523 S HA -0.028 4.432 4.470 -0.016 0.000 0.224 523 S C 0.823 175.117 174.600 -0.510 0.000 0.969 523 S CA 0.359 58.393 58.200 -0.278 0.000 0.927 523 S CB -0.205 62.754 63.200 -0.401 0.000 0.772 523 S HN 0.447 nan 8.310 nan 0.000 0.533 524 Y N -1.236 119.012 120.300 -0.088 0.000 2.588 524 Y HA 0.336 4.884 4.550 -0.004 0.000 0.247 524 Y C 1.674 177.643 175.900 0.115 0.000 1.157 524 Y CA -0.586 57.476 58.100 -0.063 0.000 1.215 524 Y CB -0.187 38.031 38.460 -0.403 0.000 1.245 524 Y HN 0.106 nan 8.280 nan 0.000 0.534 525 V N 0.560 120.579 119.914 0.175 0.000 2.453 525 V HA -0.205 3.906 4.120 -0.016 0.000 0.252 525 V C 0.081 176.253 176.094 0.130 0.000 1.068 525 V CA 2.005 64.401 62.300 0.161 0.000 1.070 525 V CB -0.152 31.724 31.823 0.088 0.000 0.664 525 V HN 0.216 nan 8.190 nan 0.000 0.461 526 D N 1.778 122.230 120.400 0.085 0.000 2.472 526 D HA 0.402 5.032 4.640 -0.016 0.000 0.234 526 D C -0.893 175.453 176.300 0.077 0.000 1.088 526 D CA 0.064 54.102 54.000 0.063 0.000 0.882 526 D CB 1.019 41.832 40.800 0.021 0.000 1.037 526 D HN 0.428 nan 8.370 nan 0.000 0.520 527 D N 2.527 123.005 120.400 0.131 0.000 2.251 527 D HA -0.038 4.592 4.640 -0.016 0.000 0.210 527 D C 0.769 177.168 176.300 0.166 0.000 1.304 527 D CA -0.233 53.865 54.000 0.163 0.000 0.912 527 D CB 1.114 42.084 40.800 0.282 0.000 1.553 527 D HN -0.082 nan 8.370 nan 0.000 0.526 528 E N 1.878 122.141 120.200 0.104 0.000 2.086 528 E HA -0.196 4.144 4.350 -0.016 0.000 0.200 528 E C 1.830 178.482 176.600 0.086 0.000 1.012 528 E CA 1.638 58.084 56.400 0.077 0.000 0.812 528 E CB -0.270 29.459 29.700 0.050 0.000 0.743 528 E HN 0.620 nan 8.360 nan 0.000 0.453 529 A N 1.072 123.959 122.820 0.111 0.000 1.841 529 A HA -0.209 4.101 4.320 -0.016 0.000 0.216 529 A C 2.193 179.861 177.584 0.140 0.000 1.199 529 A CA 1.683 53.786 52.037 0.111 0.000 0.621 529 A CB -1.116 17.957 19.000 0.121 0.000 0.835 529 A HN 0.274 nan 8.150 nan 0.000 0.445 530 F N 0.683 120.659 119.950 0.043 0.000 2.120 530 F HA -0.200 4.319 4.527 -0.014 0.000 0.300 530 F C 2.027 177.840 175.800 0.022 0.000 1.095 530 F CA 1.588 59.601 58.000 0.022 0.000 1.249 530 F CB -0.299 38.734 39.000 0.056 0.000 0.995 530 F HN 0.205 nan 8.300 nan 0.000 0.480 531 I N -0.351 120.224 120.570 0.009 0.000 2.286 531 I HA -0.297 3.864 4.170 -0.016 0.000 0.248 531 I C 2.491 178.543 176.117 -0.108 0.000 1.115 531 I CA 1.282 62.535 61.300 -0.077 0.000 1.392 531 I CB -0.449 37.565 38.000 0.023 0.000 1.065 531 I HN 0.066 nan 8.210 nan 0.000 0.418 532 R N 0.445 120.910 120.500 -0.059 0.000 2.090 532 R HA -0.129 4.201 4.340 -0.016 0.000 0.228 532 R C 1.855 178.104 176.300 -0.086 0.000 1.110 532 R CA 1.260 57.327 56.100 -0.055 0.000 0.973 532 R CB -0.242 30.046 30.300 -0.020 0.000 0.869 532 R HN 0.334 nan 8.270 nan 0.000 0.440 533 D N 0.217 120.547 120.400 -0.116 0.000 2.084 533 D HA -0.115 4.516 4.640 -0.016 0.000 0.196 533 D C 1.971 178.152 176.300 -0.198 0.000 0.985 533 D CA 1.071 54.993 54.000 -0.131 0.000 0.826 533 D CB -0.263 40.474 40.800 -0.105 0.000 0.978 533 D HN -0.053 nan 8.370 nan 0.000 0.456 534 V N 1.339 121.035 119.914 -0.363 0.000 2.469 534 V HA -0.249 3.861 4.120 -0.016 0.000 0.251 534 V C 2.409 178.412 176.094 -0.151 0.000 1.064 534 V CA 1.847 63.955 62.300 -0.321 0.000 1.066 534 V CB -0.738 30.816 31.823 -0.448 0.000 0.667 534 V HN 0.195 nan 8.190 nan 0.000 0.461 535 A N -0.699 122.047 122.820 -0.124 0.000 1.930 535 A HA -0.146 4.164 4.320 -0.016 0.000 0.215 535 A C 2.359 179.907 177.584 -0.060 0.000 1.176 535 A CA 1.621 53.616 52.037 -0.070 0.000 0.632 535 A CB -0.346 18.614 19.000 -0.066 0.000 0.819 535 A HN 0.479 nan 8.150 nan 0.000 0.445 536 K N 0.374 120.736 120.400 -0.063 0.000 2.025 536 K HA -0.109 4.201 4.320 -0.016 0.000 0.207 536 K C 2.009 178.591 176.600 -0.030 0.000 1.049 536 K CA 1.769 58.030 56.287 -0.043 0.000 0.933 536 K CB -0.354 32.124 32.500 -0.037 0.000 0.714 536 K HN 0.401 nan 8.250 nan 0.000 0.438 537 V N -0.099 119.793 119.914 -0.036 0.000 2.343 537 V HA -0.205 3.906 4.120 -0.016 0.000 0.247 537 V C 2.285 178.378 176.094 -0.002 0.000 1.051 537 V CA 2.065 64.355 62.300 -0.016 0.000 1.036 537 V CB -0.795 31.016 31.823 -0.020 0.000 0.654 537 V HN 0.193 nan 8.190 nan 0.000 0.451 538 K N 0.734 121.129 120.400 -0.010 0.000 2.063 538 K HA -0.248 4.062 4.320 -0.016 0.000 0.208 538 K C 2.289 178.883 176.600 -0.010 0.000 1.048 538 K CA 2.329 58.620 56.287 0.007 0.000 0.928 538 K CB -0.679 31.832 32.500 0.018 0.000 0.713 538 K HN 0.596 nan 8.250 nan 0.000 0.442 539 Q N 0.757 120.539 119.800 -0.029 0.000 2.123 539 Q HA -0.053 4.277 4.340 -0.016 0.000 0.199 539 Q C 1.658 177.660 176.000 0.003 0.000 0.966 539 Q CA 1.788 57.565 55.803 -0.043 0.000 0.845 539 Q CB -0.010 28.698 28.738 -0.050 0.000 0.907 539 Q HN 0.491 nan 8.270 nan 0.000 0.439 540 E N -0.258 119.952 120.200 0.016 0.000 2.058 540 E HA -0.209 4.132 4.350 -0.016 0.000 0.194 540 E C 1.675 178.319 176.600 0.074 0.000 0.997 540 E CA 1.281 57.705 56.400 0.040 0.000 0.801 540 E CB -0.120 29.598 29.700 0.030 0.000 0.746 540 E HN 0.412 nan 8.360 nan 0.000 0.450 541 N N 0.858 119.603 118.700 0.075 0.000 2.166 541 N HA -0.135 4.595 4.740 -0.016 0.000 0.186 541 N C 1.447 177.073 175.510 0.193 0.000 1.019 541 N CA 1.053 54.172 53.050 0.116 0.000 0.856 541 N CB -0.125 38.415 38.487 0.089 0.000 0.993 541 N HN 0.125 nan 8.380 nan 0.000 0.426 542 K N -0.086 120.406 120.400 0.153 0.000 2.148 542 K HA -0.013 4.298 4.320 -0.016 0.000 0.204 542 K C 1.424 178.221 176.600 0.329 0.000 1.050 542 K CA 0.594 57.029 56.287 0.247 0.000 0.942 542 K CB -0.018 32.377 32.500 -0.175 0.000 0.724 542 K HN 0.023 nan 8.250 nan 0.000 0.446 543 L N 1.653 122.994 121.223 0.197 0.000 2.027 543 L HA -0.123 4.207 4.340 -0.016 0.000 0.206 543 L C 1.928 178.927 176.870 0.214 0.000 1.074 543 L CA 1.734 56.690 54.840 0.193 0.000 0.745 543 L CB -0.766 41.365 42.059 0.121 0.000 0.898 543 L HN 0.057 nan 8.230 nan 0.000 0.433 544 K N -1.395 119.126 120.400 0.201 0.000 2.103 544 K HA -0.220 4.090 4.320 -0.016 0.000 0.207 544 K C 2.118 178.882 176.600 0.272 0.000 1.048 544 K CA 1.437 57.843 56.287 0.197 0.000 0.930 544 K CB -0.342 32.256 32.500 0.162 0.000 0.716 544 K HN 0.098 nan 8.250 nan 0.000 0.444 545 F N 1.361 121.426 119.950 0.192 0.000 2.206 545 F HA -0.054 4.463 4.527 -0.016 0.000 0.298 545 F C 2.155 178.106 175.800 0.252 0.000 1.090 545 F CA 0.909 59.041 58.000 0.220 0.000 1.323 545 F CB -0.228 38.884 39.000 0.187 0.000 1.028 545 F HN -0.049 nan 8.300 nan 0.000 0.492 546 A N 0.222 123.209 122.820 0.278 0.000 1.933 546 A HA -0.037 4.273 4.320 -0.016 0.000 0.218 546 A C 2.402 180.043 177.584 0.095 0.000 1.175 546 A CA 1.626 53.778 52.037 0.192 0.000 0.628 546 A CB -1.452 17.753 19.000 0.342 0.000 0.814 546 A HN 0.429 nan 8.150 nan 0.000 0.444 547 A N -1.408 121.479 122.820 0.113 0.000 1.898 547 A HA -0.089 4.221 4.320 -0.016 0.000 0.216 547 A C 2.149 179.751 177.584 0.030 0.000 1.181 547 A CA 1.633 53.707 52.037 0.063 0.000 0.620 547 A CB -0.790 18.260 19.000 0.084 0.000 0.819 547 A HN 0.773 nan 8.150 nan 0.000 0.442 548 Y N 0.195 120.449 120.300 -0.078 0.000 2.163 548 Y HA -0.098 4.442 4.550 -0.016 0.000 0.288 548 Y C 1.945 177.767 175.900 -0.130 0.000 1.136 548 Y CA 1.683 59.720 58.100 -0.105 0.000 1.147 548 Y CB -0.285 38.100 38.460 -0.125 0.000 0.987 548 Y HN 0.190 nan 8.280 nan 0.000 0.509 549 L N 0.105 121.130 121.223 -0.331 0.000 2.046 549 L HA -0.219 4.111 4.340 -0.016 0.000 0.208 549 L C 2.384 179.164 176.870 -0.151 0.000 1.077 549 L CA 1.794 56.441 54.840 -0.321 0.000 0.747 549 L CB -0.425 41.425 42.059 -0.348 0.000 0.896 549 L HN 0.374 nan 8.230 nan 0.000 0.432 550 E N -0.109 120.026 120.200 -0.108 0.000 2.015 550 E HA -0.254 4.086 4.350 -0.016 0.000 0.191 550 E C 2.162 178.705 176.600 -0.096 0.000 0.991 550 E CA 1.393 57.757 56.400 -0.060 0.000 0.802 550 E CB -0.135 29.544 29.700 -0.034 0.000 0.759 550 E HN 0.478 nan 8.360 nan 0.000 0.447 551 R N 1.050 121.475 120.500 -0.125 0.000 2.105 551 R HA -0.155 4.176 4.340 -0.016 0.000 0.239 551 R C 1.785 177.954 176.300 -0.218 0.000 1.135 551 R CA 1.725 57.744 56.100 -0.136 0.000 0.967 551 R CB -0.117 30.123 30.300 -0.101 0.000 0.861 551 R HN 0.014 nan 8.270 nan 0.000 0.442 552 E N -1.230 118.753 120.200 -0.361 0.000 2.216 552 E HA 0.070 4.411 4.350 -0.016 0.000 0.192 552 E C 0.223 176.442 176.600 -0.637 0.000 0.973 552 E CA 0.947 57.009 56.400 -0.563 0.000 0.851 552 E CB 0.270 29.418 29.700 -0.920 0.000 0.804 552 E HN 0.472 nan 8.360 nan 0.000 0.477 553 Y N -0.916 119.229 120.300 -0.259 0.000 3.196 553 Y HA 0.321 4.861 4.550 -0.016 0.000 0.151 553 Y C 0.513 176.357 175.900 -0.094 0.000 0.881 553 Y CA -0.490 57.525 58.100 -0.142 0.000 1.879 553 Y CB 0.171 38.559 38.460 -0.120 0.000 1.346 553 Y HN -0.244 nan 8.280 nan 0.000 0.308 554 K N -0.326 120.142 120.400 0.113 0.000 2.597 554 K HA 0.401 4.711 4.320 -0.016 0.000 0.278 554 K C -0.305 176.315 176.600 0.032 0.000 0.984 554 K CA -0.209 56.111 56.287 0.054 0.000 0.775 554 K CB 0.698 33.239 32.500 0.068 0.000 1.465 554 K HN 0.371 nan 8.250 nan 0.000 0.351 555 V N 1.577 121.518 119.914 0.046 0.000 3.783 555 V HA -0.204 3.907 4.120 -0.016 0.000 0.533 555 V C -0.637 175.521 176.094 0.106 0.000 0.682 555 V CA 1.473 63.808 62.300 0.059 0.000 2.088 555 V CB -0.526 31.311 31.823 0.025 0.000 2.486 555 V HN 1.021 nan 8.190 nan 0.000 0.518 556 H N 7.817 126.895 119.070 0.013 0.000 2.923 556 H HA 0.422 4.968 4.556 -0.016 0.000 0.251 556 H C 0.747 176.101 175.328 0.043 0.000 1.741 556 H CA -0.453 55.611 56.048 0.027 0.000 1.387 556 H CB -0.398 29.384 29.762 0.033 0.000 1.740 556 H HN 0.823 nan 8.280 nan 0.000 0.544 557 I N 0.516 121.110 120.570 0.041 0.000 2.828 557 I HA -0.068 4.092 4.170 -0.016 0.000 0.292 557 I C 0.556 176.615 176.117 -0.097 0.000 1.206 557 I CA -0.025 61.256 61.300 -0.032 0.000 1.420 557 I CB 0.127 38.100 38.000 -0.046 0.000 1.368 557 I HN 0.389 nan 8.210 nan 0.000 0.556 558 N N 9.906 128.529 118.700 -0.129 0.000 2.394 558 N HA 0.035 4.765 4.740 -0.016 0.000 0.282 558 N C -1.212 174.342 175.510 0.073 0.000 1.351 558 N CA -1.661 51.303 53.050 -0.143 0.000 0.936 558 N CB 0.448 38.893 38.487 -0.071 0.000 1.274 558 N HN 0.489 nan 8.380 nan 0.000 0.489 559 P HA -0.123 nan 4.420 nan 0.000 0.222 559 P C -0.392 176.831 177.300 -0.130 0.000 1.147 559 P CA 0.934 64.063 63.100 0.048 0.000 0.790 559 P CB 0.194 31.946 31.700 0.086 0.000 0.780 560 N N 0.851 119.519 118.700 -0.054 0.000 2.652 560 N HA 0.049 4.779 4.740 -0.016 0.000 0.259 560 N C 0.392 175.884 175.510 -0.031 0.000 1.240 560 N CA 0.376 53.396 53.050 -0.050 0.000 0.951 560 N CB -0.158 38.320 38.487 -0.016 0.000 1.281 560 N HN 0.315 nan 8.380 nan 0.000 0.507 561 S N -0.854 114.806 115.700 -0.067 0.000 2.618 561 S HA 0.333 4.794 4.470 -0.016 0.000 0.277 561 S C -0.589 173.932 174.600 -0.132 0.000 1.138 561 S CA -0.988 57.192 58.200 -0.033 0.000 0.844 561 S CB 2.038 65.266 63.200 0.047 0.000 1.127 561 S HN 0.011 nan 8.310 nan 0.000 0.474 562 L N 2.654 123.716 121.223 -0.268 0.000 2.433 562 L HA 0.378 4.708 4.340 -0.016 0.000 0.275 562 L C -1.257 175.583 176.870 -0.050 0.000 1.128 562 L CA -0.208 54.307 54.840 -0.541 0.000 0.875 562 L CB -0.913 40.667 42.059 -0.798 0.000 1.171 562 L HN 0.729 nan 8.230 nan 0.000 0.463 563 F N 4.077 123.883 119.950 -0.240 0.000 2.462 563 F HA 0.171 4.689 4.527 -0.015 0.000 0.354 563 F C 0.621 176.321 175.800 -0.165 0.000 1.192 563 F CA -1.291 56.623 58.000 -0.144 0.000 1.173 563 F CB -0.114 38.845 39.000 -0.068 0.000 1.402 563 F HN 0.472 nan 8.300 nan 0.000 0.595 564 D N 3.364 123.740 120.400 -0.039 0.000 2.313 564 D HA 0.433 5.063 4.640 -0.016 0.000 0.239 564 D C -0.959 175.252 176.300 -0.147 0.000 1.142 564 D CA -0.171 53.757 54.000 -0.120 0.000 0.847 564 D CB 1.080 41.797 40.800 -0.138 0.000 1.082 564 D HN 0.205 nan 8.370 nan 0.000 0.480 565 V N 1.729 121.530 119.914 -0.189 0.000 2.686 565 V HA 0.535 4.645 4.120 -0.016 0.000 0.306 565 V C -0.794 175.152 176.094 -0.247 0.000 1.065 565 V CA -0.936 61.247 62.300 -0.195 0.000 0.894 565 V CB 1.593 33.355 31.823 -0.101 0.000 1.004 565 V HN 0.546 nan 8.190 nan 0.000 0.424 566 Q N 3.415 123.081 119.800 -0.224 0.000 2.523 566 Q HA 0.626 4.956 4.340 -0.016 0.000 0.251 566 Q C -1.109 174.713 176.000 -0.297 0.000 1.033 566 Q CA -0.563 55.104 55.803 -0.228 0.000 0.746 566 Q CB 1.847 30.465 28.738 -0.199 0.000 1.189 566 Q HN 1.112 nan 8.270 nan 0.000 0.508 567 V N 1.741 121.462 119.914 -0.323 0.000 2.357 567 V HA 0.814 4.925 4.120 -0.016 0.000 0.284 567 V C -0.737 174.987 176.094 -0.617 0.000 1.018 567 V CA -0.491 61.367 62.300 -0.736 0.000 0.841 567 V CB 0.815 31.891 31.823 -1.245 0.000 0.991 567 V HN 0.756 nan 8.190 nan 0.000 0.437 568 K N 3.241 123.380 120.400 -0.435 0.000 2.931 568 K HA 0.395 4.706 4.320 -0.016 0.000 0.292 568 K C -0.874 175.712 176.600 -0.023 0.000 1.077 568 K CA -1.209 55.011 56.287 -0.112 0.000 0.829 568 K CB 1.331 33.763 32.500 -0.115 0.000 1.488 568 K HN 0.827 nan 8.250 nan 0.000 0.358 569 R N 1.480 122.015 120.500 0.059 0.000 2.538 569 R HA 0.105 4.436 4.340 -0.016 0.000 0.282 569 R C -0.095 176.263 176.300 0.097 0.000 1.009 569 R CA -0.477 55.696 56.100 0.121 0.000 1.063 569 R CB 0.016 30.412 30.300 0.160 0.000 0.945 569 R HN 0.426 nan 8.270 nan 0.000 0.414 570 I N 5.155 125.792 120.570 0.112 0.000 2.576 570 I HA 0.067 4.227 4.170 -0.016 0.000 0.288 570 I C 0.457 176.542 176.117 -0.054 0.000 1.126 570 I CA 0.591 61.886 61.300 -0.008 0.000 1.362 570 I CB -1.045 36.929 38.000 -0.043 0.000 1.419 570 I HN 0.647 nan 8.210 nan 0.000 0.533 571 H N 4.491 123.417 119.070 -0.239 0.000 2.930 571 H HA 0.211 4.758 4.556 -0.016 0.000 0.371 571 H C 0.436 175.591 175.328 -0.287 0.000 1.169 571 H CA -0.560 55.374 56.048 -0.189 0.000 1.157 571 H CB 2.235 31.875 29.762 -0.204 0.000 1.789 571 H HN 0.492 nan 8.280 nan 0.000 0.547 572 E N 1.399 121.545 120.200 -0.089 0.000 2.267 572 E HA -0.212 4.128 4.350 -0.016 0.000 0.197 572 E C 1.114 177.412 176.600 -0.504 0.000 0.998 572 E CA 1.360 57.675 56.400 -0.141 0.000 0.830 572 E CB 0.099 29.890 29.700 0.152 0.000 0.751 572 E HN 0.521 nan 8.360 nan 0.000 0.491 573 Y N -0.465 119.320 120.300 -0.859 0.000 2.523 573 Y HA 0.236 4.776 4.550 -0.016 0.000 0.279 573 Y C 1.559 177.224 175.900 -0.392 0.000 1.139 573 Y CA 0.221 57.710 58.100 -1.018 0.000 1.296 573 Y CB 0.177 37.988 38.460 -1.081 0.000 1.045 573 Y HN -0.242 nan 8.280 nan 0.000 0.538 574 K N 1.065 120.958 120.400 -0.845 0.000 2.243 574 K HA 0.131 4.442 4.320 -0.016 0.000 0.201 574 K C 0.156 176.563 176.600 -0.321 0.000 1.051 574 K CA 0.560 56.480 56.287 -0.613 0.000 0.970 574 K CB 0.032 32.197 32.500 -0.559 0.000 0.755 574 K HN 0.253 nan 8.250 nan 0.000 0.465 575 R N -0.120 120.219 120.500 -0.268 0.000 3.305 575 R HA -0.196 4.135 4.340 -0.016 0.000 0.268 575 R C 0.194 176.415 176.300 -0.131 0.000 1.087 575 R CA 0.181 56.184 56.100 -0.161 0.000 0.725 575 R CB -2.006 28.214 30.300 -0.133 0.000 1.233 575 R HN 0.158 nan 8.270 nan 0.000 0.416 576 Q N 0.267 119.986 119.800 -0.136 0.000 2.170 576 Q HA -0.031 4.299 4.340 -0.016 0.000 0.203 576 Q C 1.865 177.824 176.000 -0.069 0.000 0.976 576 Q CA 1.503 57.241 55.803 -0.109 0.000 0.858 576 Q CB 0.043 28.715 28.738 -0.111 0.000 0.907 576 Q HN 0.596 nan 8.270 nan 0.000 0.433 577 L N -0.522 120.664 121.223 -0.063 0.000 2.083 577 L HA -0.194 4.136 4.340 -0.016 0.000 0.209 577 L C 2.022 178.916 176.870 0.041 0.000 1.083 577 L CA 0.583 55.406 54.840 -0.028 0.000 0.752 577 L CB -0.421 41.625 42.059 -0.021 0.000 0.899 577 L HN 0.300 nan 8.230 nan 0.000 0.433 578 L N 0.076 121.326 121.223 0.044 0.000 2.046 578 L HA -0.252 4.078 4.340 -0.016 0.000 0.208 578 L C 2.040 179.055 176.870 0.243 0.000 1.077 578 L CA 1.941 56.851 54.840 0.117 0.000 0.747 578 L CB -0.878 41.147 42.059 -0.056 0.000 0.896 578 L HN 0.281 nan 8.230 nan 0.000 0.432 579 N N -1.798 116.992 118.700 0.151 0.000 2.166 579 N HA -0.212 4.518 4.740 -0.016 0.000 0.186 579 N C 1.923 177.516 175.510 0.138 0.000 1.019 579 N CA 1.370 54.557 53.050 0.228 0.000 0.856 579 N CB -0.067 38.470 38.487 0.083 0.000 0.993 579 N HN 0.481 nan 8.380 nan 0.000 0.426 580 C N 0.583 119.906 119.300 0.040 0.000 2.413 580 C HA -0.084 4.366 4.460 -0.016 0.000 0.276 580 C C 2.603 177.598 174.990 0.009 0.000 1.248 580 C CA 0.381 59.371 59.018 -0.048 0.000 1.742 580 C CB -1.223 26.447 27.740 -0.116 0.000 2.017 580 C HN 0.492 nan 8.230 nan 0.000 0.481 581 L N -0.323 120.976 121.223 0.127 0.000 1.989 581 L HA -0.228 4.103 4.340 -0.016 0.000 0.211 581 L C 2.769 179.811 176.870 0.287 0.000 1.071 581 L CA 2.091 57.061 54.840 0.218 0.000 0.749 581 L CB -1.085 41.174 42.059 0.332 0.000 0.890 581 L HN 0.575 nan 8.230 nan 0.000 0.431 582 H N -0.260 118.931 119.070 0.201 0.000 2.352 582 H HA -0.163 4.384 4.556 -0.016 0.000 0.299 582 H C 2.221 177.532 175.328 -0.029 0.000 1.097 582 H CA 1.980 58.040 56.048 0.020 0.000 1.311 582 H CB 0.274 29.940 29.762 -0.160 0.000 1.377 582 H HN 0.110 nan 8.280 nan 0.000 0.504 583 V N 1.605 121.384 119.914 -0.224 0.000 2.287 583 V HA -0.284 3.826 4.120 -0.016 0.000 0.248 583 V C 2.824 178.835 176.094 -0.139 0.000 1.053 583 V CA 1.975 64.107 62.300 -0.281 0.000 1.027 583 V CB -0.522 31.185 31.823 -0.195 0.000 0.646 583 V HN 0.416 nan 8.190 nan 0.000 0.447 584 I N -0.094 120.452 120.570 -0.040 0.000 2.361 584 I HA -0.240 3.921 4.170 -0.016 0.000 0.251 584 I C 2.485 178.685 176.117 0.137 0.000 1.133 584 I CA 1.710 63.072 61.300 0.103 0.000 1.413 584 I CB -0.715 37.377 38.000 0.153 0.000 1.073 584 I HN 0.344 nan 8.210 nan 0.000 0.424 585 T N 1.463 116.058 114.554 0.068 0.000 2.674 585 T HA -0.123 4.217 4.350 -0.016 0.000 0.265 585 T C 1.972 176.658 174.700 -0.023 0.000 1.039 585 T CA 1.270 63.405 62.100 0.059 0.000 1.150 585 T CB -0.327 68.606 68.868 0.107 0.000 0.864 585 T HN 0.251 nan 8.240 nan 0.000 0.427 586 L N -0.279 120.868 121.223 -0.126 0.000 2.042 586 L HA -0.135 4.196 4.340 -0.016 0.000 0.210 586 L C 2.408 179.243 176.870 -0.058 0.000 1.076 586 L CA 1.745 56.499 54.840 -0.144 0.000 0.749 586 L CB -0.682 41.225 42.059 -0.253 0.000 0.893 586 L HN 0.298 nan 8.230 nan 0.000 0.432 587 Y N 1.458 121.696 120.300 -0.103 0.000 2.097 587 Y HA -0.280 4.260 4.550 -0.016 0.000 0.282 587 Y C 2.547 178.425 175.900 -0.037 0.000 1.152 587 Y CA 1.869 59.941 58.100 -0.046 0.000 1.136 587 Y CB -0.316 38.157 38.460 0.023 0.000 0.975 587 Y HN 0.184 nan 8.280 nan 0.000 0.498 588 N N 0.489 119.159 118.700 -0.050 0.000 2.149 588 N HA -0.166 4.564 4.740 -0.016 0.000 0.188 588 N C 1.902 177.305 175.510 -0.179 0.000 1.019 588 N CA 1.683 54.641 53.050 -0.153 0.000 0.857 588 N CB -0.394 38.075 38.487 -0.030 0.000 0.997 588 N HN 0.453 nan 8.380 nan 0.000 0.426 589 R N 0.391 120.814 120.500 -0.128 0.000 2.092 589 R HA 0.077 4.408 4.340 -0.016 0.000 0.231 589 R C 2.234 178.446 176.300 -0.147 0.000 1.119 589 R CA 0.687 56.717 56.100 -0.117 0.000 0.970 589 R CB -0.254 29.988 30.300 -0.095 0.000 0.864 589 R HN 0.250 nan 8.270 nan 0.000 0.440 590 I N 1.066 121.524 120.570 -0.187 0.000 2.286 590 I HA -0.272 3.888 4.170 -0.016 0.000 0.248 590 I C 1.842 177.835 176.117 -0.207 0.000 1.115 590 I CA 1.181 62.366 61.300 -0.191 0.000 1.392 590 I CB -0.116 37.762 38.000 -0.203 0.000 1.065 590 I HN 0.061 nan 8.210 nan 0.000 0.418 591 K N 0.797 121.026 120.400 -0.286 0.000 2.155 591 K HA -0.145 4.165 4.320 -0.016 0.000 0.203 591 K C 1.915 178.424 176.600 -0.152 0.000 1.052 591 K CA 0.980 57.118 56.287 -0.247 0.000 0.948 591 K CB -0.400 31.899 32.500 -0.335 0.000 0.728 591 K HN 0.325 nan 8.250 nan 0.000 0.448 592 K N 1.472 121.790 120.400 -0.138 0.000 2.057 592 K HA -0.099 4.211 4.320 -0.016 0.000 0.206 592 K C -0.089 176.466 176.600 -0.076 0.000 1.050 592 K CA 1.169 57.399 56.287 -0.095 0.000 0.935 592 K CB 0.282 32.731 32.500 -0.085 0.000 0.715 592 K HN 0.105 nan 8.250 nan 0.000 0.439 593 E N 0.617 120.768 120.200 -0.081 0.000 3.037 593 E HA 0.140 4.480 4.350 -0.016 0.000 0.220 593 E C -2.346 174.214 176.600 -0.066 0.000 1.142 593 E CA -1.725 54.639 56.400 -0.061 0.000 0.888 593 E CB 1.717 31.386 29.700 -0.051 0.000 1.329 593 E HN 0.180 nan 8.360 nan 0.000 0.409 594 P HA -0.103 nan 4.420 nan 0.000 0.228 594 P C 0.070 177.348 177.300 -0.036 0.000 1.151 594 P CA 1.091 64.155 63.100 -0.061 0.000 0.770 594 P CB 0.206 31.874 31.700 -0.053 0.000 0.786 595 N N -1.743 116.944 118.700 -0.022 0.000 2.177 595 N HA 0.049 4.779 4.740 -0.016 0.000 0.218 595 N C 0.214 175.737 175.510 0.022 0.000 1.182 595 N CA -0.277 52.775 53.050 0.003 0.000 0.882 595 N CB 0.376 38.865 38.487 0.004 0.000 1.052 595 N HN 0.002 nan 8.380 nan 0.000 0.519 596 K N 1.471 121.874 120.400 0.006 0.000 2.276 596 K HA 0.124 4.435 4.320 -0.016 0.000 0.285 596 K C -0.851 175.772 176.600 0.038 0.000 1.062 596 K CA -0.554 55.749 56.287 0.026 0.000 0.918 596 K CB 0.396 32.892 32.500 -0.007 0.000 1.055 596 K HN -0.082 nan 8.250 nan 0.000 0.477 597 F N 5.725 125.655 119.950 -0.032 0.000 2.538 597 F HA 0.157 4.674 4.527 -0.016 0.000 0.371 597 F C -0.504 175.274 175.800 -0.037 0.000 1.087 597 F CA 0.040 58.020 58.000 -0.033 0.000 1.250 597 F CB 0.570 39.554 39.000 -0.028 0.000 1.110 597 F HN 0.241 nan 8.300 nan 0.000 0.570 598 V N 4.257 123.547 119.914 -1.040 0.000 2.876 598 V HA 0.513 4.624 4.120 -0.016 0.000 0.312 598 V C -0.590 174.792 176.094 -1.186 0.000 1.085 598 V CA -1.295 60.532 62.300 -0.787 0.000 0.945 598 V CB 1.001 32.577 31.823 -0.413 0.000 1.017 598 V HN 0.570 nan 8.190 nan 0.000 0.428 599 V N 4.296 123.834 119.914 -0.626 0.000 2.493 599 V HA 0.159 4.269 4.120 -0.016 0.000 0.292 599 V C -1.847 174.058 176.094 -0.315 0.000 1.016 599 V CA -0.376 61.716 62.300 -0.346 0.000 1.097 599 V CB 0.446 32.199 31.823 -0.117 0.000 0.947 599 V HN 0.892 nan 8.190 nan 0.000 0.479 600 P HA 0.234 nan 4.420 nan 0.000 0.265 600 P C -0.369 176.840 177.300 -0.153 0.000 1.193 600 P CA 0.143 63.149 63.100 -0.157 0.000 0.765 600 P CB 0.437 32.101 31.700 -0.059 0.000 0.823 601 R N 1.524 121.938 120.500 -0.143 0.000 2.771 601 R HA 0.608 4.939 4.340 -0.016 0.000 0.274 601 R C -1.228 175.020 176.300 -0.087 0.000 0.987 601 R CA -0.528 55.489 56.100 -0.139 0.000 0.908 601 R CB 1.696 31.881 30.300 -0.192 0.000 1.213 601 R HN 0.287 nan 8.270 nan 0.000 0.468 602 T N 2.686 117.209 114.554 -0.053 0.000 2.892 602 T HA 0.268 4.608 4.350 -0.016 0.000 0.311 602 T C -0.936 173.686 174.700 -0.131 0.000 1.033 602 T CA -0.466 61.584 62.100 -0.082 0.000 0.991 602 T CB 1.237 70.057 68.868 -0.081 0.000 0.981 602 T HN 0.232 nan 8.240 nan 0.000 0.457 603 V N 5.453 125.279 119.914 -0.146 0.000 2.348 603 V HA 0.436 4.546 4.120 -0.016 0.000 0.270 603 V C 0.073 176.066 176.094 -0.169 0.000 1.037 603 V CA -0.518 61.690 62.300 -0.153 0.000 0.872 603 V CB 0.522 32.256 31.823 -0.148 0.000 1.002 603 V HN 0.854 nan 8.190 nan 0.000 0.464 604 M N 6.474 125.959 119.600 -0.190 0.000 2.149 604 M HA 0.611 5.082 4.480 -0.016 0.000 0.342 604 M C -0.897 175.251 176.300 -0.252 0.000 1.068 604 M CA -0.099 55.074 55.300 -0.210 0.000 0.991 604 M CB 1.720 34.193 32.600 -0.211 0.000 1.596 604 M HN 0.449 nan 8.290 nan 0.000 0.439 605 I N 1.877 122.253 120.570 -0.324 0.000 2.498 605 I HA 0.831 4.991 4.170 -0.016 0.000 0.290 605 I C 0.141 175.784 176.117 -0.789 0.000 1.032 605 I CA -0.651 60.390 61.300 -0.432 0.000 1.073 605 I CB 2.291 40.099 38.000 -0.320 0.000 1.251 605 I HN 0.785 nan 8.210 nan 0.000 0.426 606 G N 2.811 111.162 108.800 -0.747 0.000 2.690 606 G HA2 0.846 4.796 3.960 -0.016 0.000 0.293 606 G HA3 0.846 4.796 3.960 -0.016 0.000 0.293 606 G C -0.985 173.612 174.900 -0.504 0.000 1.399 606 G CA -0.724 43.875 45.100 -0.836 0.000 0.890 606 G HN 1.004 nan 8.290 nan 0.000 0.485 607 G N -0.520 108.187 108.800 -0.155 0.000 2.350 607 G HA2 0.436 4.386 3.960 -0.016 0.000 0.305 607 G HA3 0.436 4.386 3.960 -0.016 0.000 0.305 607 G C -1.569 173.494 174.900 0.272 0.000 1.479 607 G CA -1.029 44.138 45.100 0.111 0.000 0.949 607 G HN 0.614 nan 8.290 nan 0.000 0.651 608 K N -0.044 120.505 120.400 0.250 0.000 2.221 608 K HA 0.755 5.066 4.320 -0.016 0.000 0.258 608 K C 0.170 176.944 176.600 0.290 0.000 0.944 608 K CA -0.395 56.063 56.287 0.285 0.000 0.823 608 K CB 2.368 34.953 32.500 0.143 0.000 1.113 608 K HN 0.887 nan 8.250 nan 0.000 0.431 609 A N 1.666 124.668 122.820 0.303 0.000 2.310 609 A HA 0.625 4.936 4.320 -0.016 0.000 0.299 609 A C -0.192 177.591 177.584 0.332 0.000 1.147 609 A CA -0.617 51.540 52.037 0.200 0.000 0.818 609 A CB 0.691 19.723 19.000 0.054 0.000 1.096 609 A HN 0.803 nan 8.150 nan 0.000 0.495 610 A N 3.662 126.693 122.820 0.352 0.000 2.520 610 A HA 0.452 4.763 4.320 -0.016 0.000 0.245 610 A C -1.290 176.449 177.584 0.257 0.000 1.072 610 A CA -0.789 51.476 52.037 0.381 0.000 0.761 610 A CB -0.415 18.842 19.000 0.429 0.000 1.004 610 A HN 0.623 nan 8.150 nan 0.000 0.499 611 P HA -0.208 nan 4.420 nan 0.000 0.217 611 P C 1.396 178.739 177.300 0.071 0.000 1.158 611 P CA 2.332 65.421 63.100 -0.020 0.000 0.887 611 P CB 0.187 31.821 31.700 -0.110 0.000 0.792 612 G N -3.614 105.269 108.800 0.137 0.000 3.088 612 G HA2 -0.110 3.840 3.960 -0.016 0.000 0.217 612 G HA3 -0.110 3.840 3.960 -0.016 0.000 0.217 612 G C -0.107 174.933 174.900 0.235 0.000 1.159 612 G CA -0.062 45.129 45.100 0.152 0.000 0.760 612 G HN 0.172 nan 8.290 nan 0.000 0.550 613 Y N 2.334 122.695 120.300 0.101 0.000 2.568 613 Y HA 0.153 4.694 4.550 -0.016 0.000 0.338 613 Y C 1.558 177.515 175.900 0.096 0.000 1.245 613 Y CA -1.612 56.526 58.100 0.063 0.000 1.667 613 Y CB -0.870 37.583 38.460 -0.011 0.000 1.568 613 Y HN 0.404 nan 8.280 nan 0.000 0.471 614 H N 2.945 122.178 119.070 0.271 0.000 2.319 614 H HA -0.249 4.297 4.556 -0.016 0.000 0.297 614 H C 1.832 177.251 175.328 0.151 0.000 1.097 614 H CA 2.202 58.357 56.048 0.180 0.000 1.285 614 H CB 0.392 30.239 29.762 0.142 0.000 1.368 614 H HN 0.611 nan 8.280 nan 0.000 0.495 615 M N 1.049 120.646 119.600 -0.005 0.000 2.080 615 M HA -0.097 4.373 4.480 -0.016 0.000 0.260 615 M C 2.580 178.720 176.300 -0.266 0.000 1.068 615 M CA 1.933 57.150 55.300 -0.138 0.000 1.109 615 M CB -0.747 31.891 32.600 0.062 0.000 1.342 615 M HN 0.336 nan 8.290 nan 0.000 0.405 616 A N 0.027 122.539 122.820 -0.515 0.000 1.940 616 A HA -0.184 4.126 4.320 -0.016 0.000 0.219 616 A C 2.120 179.549 177.584 -0.258 0.000 1.176 616 A CA 1.754 53.420 52.037 -0.618 0.000 0.631 616 A CB -0.658 17.661 19.000 -1.135 0.000 0.814 616 A HN 0.474 nan 8.150 nan 0.000 0.446 617 K N -0.823 119.499 120.400 -0.130 0.000 2.026 617 K HA -0.094 4.217 4.320 -0.016 0.000 0.208 617 K C 2.027 178.621 176.600 -0.010 0.000 1.048 617 K CA 1.310 57.615 56.287 0.030 0.000 0.929 617 K CB -0.524 32.086 32.500 0.183 0.000 0.713 617 K HN 0.416 nan 8.250 nan 0.000 0.439 618 M N 0.710 120.257 119.600 -0.088 0.000 2.086 618 M HA -0.094 4.376 4.480 -0.016 0.000 0.261 618 M C 2.394 178.613 176.300 -0.135 0.000 1.067 618 M CA 1.349 56.594 55.300 -0.092 0.000 1.116 618 M CB -0.949 31.581 32.600 -0.117 0.000 1.348 618 M HN 0.071 nan 8.290 nan 0.000 0.407 619 I N -0.051 120.426 120.570 -0.155 0.000 2.163 619 I HA -0.341 3.819 4.170 -0.016 0.000 0.243 619 I C 2.378 178.399 176.117 -0.161 0.000 1.085 619 I CA 1.291 62.495 61.300 -0.161 0.000 1.347 619 I CB -0.434 37.472 38.000 -0.156 0.000 1.044 619 I HN 0.219 nan 8.210 nan 0.000 0.408 620 I N 0.697 121.173 120.570 -0.156 0.000 2.208 620 I HA -0.311 3.849 4.170 -0.016 0.000 0.245 620 I C 2.603 178.490 176.117 -0.384 0.000 1.097 620 I CA 1.328 62.490 61.300 -0.229 0.000 1.363 620 I CB -0.412 37.401 38.000 -0.311 0.000 1.051 620 I HN 0.194 nan 8.210 nan 0.000 0.413 621 K N 1.532 121.675 120.400 -0.429 0.000 2.147 621 K HA -0.130 4.180 4.320 -0.016 0.000 0.205 621 K C 1.961 178.365 176.600 -0.327 0.000 1.049 621 K CA 1.405 57.334 56.287 -0.597 0.000 0.936 621 K CB -0.418 31.469 32.500 -1.022 0.000 0.722 621 K HN 0.264 nan 8.250 nan 0.000 0.446 622 L N 0.131 121.176 121.223 -0.296 0.000 2.023 622 L HA -0.074 4.256 4.340 -0.016 0.000 0.205 622 L C 2.141 178.786 176.870 -0.374 0.000 1.073 622 L CA 1.357 55.913 54.840 -0.473 0.000 0.745 622 L CB -0.247 41.464 42.059 -0.580 0.000 0.900 622 L HN 0.197 nan 8.230 nan 0.000 0.435 623 I N -0.141 120.284 120.570 -0.241 0.000 2.315 623 I HA -0.336 3.824 4.170 -0.016 0.000 0.251 623 I C 2.450 178.492 176.117 -0.126 0.000 1.125 623 I CA 1.907 63.126 61.300 -0.134 0.000 1.392 623 I CB -0.558 37.501 38.000 0.098 0.000 1.065 623 I HN 0.475 nan 8.210 nan 0.000 0.424 624 T N -1.730 112.726 114.554 -0.163 0.000 2.976 624 T HA 0.165 4.505 4.350 -0.016 0.000 0.257 624 T C 2.045 176.662 174.700 -0.138 0.000 1.051 624 T CA 0.554 62.569 62.100 -0.140 0.000 1.141 624 T CB -0.283 68.464 68.868 -0.203 0.000 0.881 624 T HN 0.287 nan 8.240 nan 0.000 0.461 625 A N 1.837 124.563 122.820 -0.157 0.000 1.902 625 A HA 0.087 4.398 4.320 -0.016 0.000 0.217 625 A C 2.344 179.852 177.584 -0.127 0.000 1.181 625 A CA 1.425 53.428 52.037 -0.057 0.000 0.623 625 A CB -0.940 18.135 19.000 0.124 0.000 0.818 625 A HN 0.569 nan 8.150 nan 0.000 0.443 626 I N -0.326 120.010 120.570 -0.390 0.000 2.179 626 I HA -0.206 3.954 4.170 -0.016 0.000 0.242 626 I C 2.733 178.675 176.117 -0.290 0.000 1.088 626 I CA 1.156 62.081 61.300 -0.625 0.000 1.357 626 I CB -0.702 36.848 38.000 -0.750 0.000 1.051 626 I HN 0.393 nan 8.210 nan 0.000 0.409 627 G N 0.471 109.144 108.800 -0.213 0.000 2.440 627 G HA2 -0.272 3.679 3.960 -0.016 0.000 0.218 627 G HA3 -0.272 3.679 3.960 -0.016 0.000 0.218 627 G C 1.289 176.124 174.900 -0.108 0.000 1.154 627 G CA 1.028 46.035 45.100 -0.154 0.000 0.767 627 G HN 0.293 nan 8.290 nan 0.000 0.552 628 D N 0.169 120.558 120.400 -0.018 0.000 2.133 628 D HA -0.120 4.510 4.640 -0.016 0.000 0.195 628 D C 2.724 179.121 176.300 0.163 0.000 0.997 628 D CA 1.136 55.212 54.000 0.125 0.000 0.840 628 D CB -0.356 40.497 40.800 0.089 0.000 0.947 628 D HN 0.250 nan 8.370 nan 0.000 0.452 629 V N 0.612 120.553 119.914 0.044 0.000 2.232 629 V HA -0.193 3.917 4.120 -0.016 0.000 0.239 629 V C 2.715 178.777 176.094 -0.053 0.000 1.040 629 V CA 1.014 63.316 62.300 0.003 0.000 0.996 629 V CB -0.743 31.091 31.823 0.018 0.000 0.638 629 V HN 0.004 nan 8.190 nan 0.000 0.453 630 V N 1.143 120.941 119.914 -0.194 0.000 2.222 630 V HA -0.346 3.764 4.120 -0.016 0.000 0.252 630 V C 2.146 178.182 176.094 -0.097 0.000 1.060 630 V CA 2.602 64.797 62.300 -0.176 0.000 1.027 630 V CB -1.170 30.527 31.823 -0.208 0.000 0.644 630 V HN 0.626 nan 8.190 nan 0.000 0.448 631 N N -0.456 118.093 118.700 -0.251 0.000 2.651 631 N HA -0.126 4.605 4.740 -0.016 0.000 0.193 631 N C 1.136 176.252 175.510 -0.656 0.000 1.149 631 N CA 1.109 53.898 53.050 -0.435 0.000 0.933 631 N CB -0.411 37.755 38.487 -0.535 0.000 0.974 631 N HN 0.770 nan 8.380 nan 0.000 0.448 632 H N -2.202 116.885 119.070 0.029 0.000 3.233 632 H HA 0.186 4.733 4.556 -0.016 0.000 0.263 632 H C -0.500 174.863 175.328 0.059 0.000 1.168 632 H CA -0.592 55.476 56.048 0.033 0.000 1.159 632 H CB 0.719 30.489 29.762 0.013 0.000 1.593 632 H HN -0.009 nan 8.280 nan 0.000 0.580 633 D N 2.110 122.601 120.400 0.151 0.000 2.343 633 D HA 0.009 4.640 4.640 -0.016 0.000 0.255 633 D C -1.570 174.800 176.300 0.118 0.000 1.187 633 D CA -1.910 52.197 54.000 0.179 0.000 0.875 633 D CB 1.587 42.579 40.800 0.320 0.000 1.136 633 D HN 0.092 nan 8.370 nan 0.000 0.469 634 P HA -0.186 nan 4.420 nan 0.000 0.215 634 P C 1.616 178.943 177.300 0.044 0.000 1.157 634 P CA 0.695 63.832 63.100 0.062 0.000 0.874 634 P CB 0.254 31.984 31.700 0.051 0.000 0.790 635 V N -0.722 119.216 119.914 0.039 0.000 2.380 635 V HA -0.227 3.883 4.120 -0.016 0.000 0.251 635 V C 2.380 178.474 176.094 -0.001 0.000 1.063 635 V CA 1.974 64.279 62.300 0.008 0.000 1.055 635 V CB -1.303 30.509 31.823 -0.017 0.000 0.657 635 V HN 0.000 nan 8.190 nan 0.000 0.455 636 V N 0.182 120.112 119.914 0.025 0.000 2.331 636 V HA 0.131 4.242 4.120 -0.016 0.000 0.242 636 V C 2.227 178.326 176.094 0.009 0.000 1.034 636 V CA 1.175 63.486 62.300 0.018 0.000 1.027 636 V CB -1.521 30.351 31.823 0.082 0.000 0.667 636 V HN 0.631 nan 8.190 nan 0.000 0.457 637 G N 0.494 109.307 108.800 0.023 0.000 2.452 637 G HA2 -0.362 3.588 3.960 -0.016 0.000 0.311 637 G HA3 -0.362 3.588 3.960 -0.016 0.000 0.311 637 G C 0.570 175.472 174.900 0.003 0.000 0.841 637 G CA 1.487 46.597 45.100 0.016 0.000 0.907 637 G HN 0.639 nan 8.290 nan 0.000 0.502 638 D N -2.725 117.667 120.400 -0.013 0.000 4.099 638 D HA -0.115 4.516 4.640 -0.016 0.000 0.353 638 D C 1.965 178.243 176.300 -0.038 0.000 0.385 638 D CA 0.444 54.431 54.000 -0.021 0.000 0.764 638 D CB -0.860 39.936 40.800 -0.008 0.000 1.548 638 D HN 0.419 nan 8.370 nan 0.000 0.162 639 R N 0.114 120.586 120.500 -0.047 0.000 2.096 639 R HA 0.048 4.379 4.340 -0.016 0.000 0.235 639 R C 0.746 176.990 176.300 -0.094 0.000 1.127 639 R CA 0.950 56.999 56.100 -0.084 0.000 0.968 639 R CB 0.257 30.496 30.300 -0.101 0.000 0.861 639 R HN 0.067 nan 8.270 nan 0.000 0.440 640 L N 0.768 121.953 121.223 -0.064 0.000 2.476 640 L HA 0.365 4.695 4.340 -0.016 0.000 0.269 640 L C -1.519 175.311 176.870 -0.066 0.000 0.965 640 L CA -0.576 54.222 54.840 -0.069 0.000 0.845 640 L CB 1.799 43.833 42.059 -0.042 0.000 1.259 640 L HN -0.127 nan 8.230 nan 0.000 0.403 641 R N 4.332 124.778 120.500 -0.090 0.000 2.534 641 R HA 0.714 5.045 4.340 -0.016 0.000 0.301 641 R C -1.404 174.823 176.300 -0.122 0.000 0.961 641 R CA -0.801 55.237 56.100 -0.104 0.000 0.871 641 R CB 2.086 32.329 30.300 -0.096 0.000 1.170 641 R HN 0.398 nan 8.270 nan 0.000 0.446 642 V N 4.874 124.709 119.914 -0.132 0.000 2.334 642 V HA 0.447 4.557 4.120 -0.016 0.000 0.281 642 V C -0.262 175.765 176.094 -0.111 0.000 1.016 642 V CA -0.711 61.507 62.300 -0.137 0.000 0.832 642 V CB 1.340 33.064 31.823 -0.164 0.000 0.999 642 V HN 0.528 nan 8.190 nan 0.000 0.439 643 I N 4.742 125.252 120.570 -0.101 0.000 2.582 643 I HA 0.496 4.656 4.170 -0.016 0.000 0.292 643 I C -0.930 175.159 176.117 -0.047 0.000 1.066 643 I CA -0.584 60.678 61.300 -0.064 0.000 1.053 643 I CB 2.098 40.046 38.000 -0.086 0.000 1.241 643 I HN 0.530 nan 8.210 nan 0.000 0.421 644 F N 7.326 127.212 119.950 -0.106 0.000 2.385 644 F HA 0.512 5.030 4.527 -0.015 0.000 0.360 644 F C -0.748 175.002 175.800 -0.084 0.000 1.122 644 F CA -0.714 57.229 58.000 -0.095 0.000 1.090 644 F CB 0.729 39.676 39.000 -0.087 0.000 1.150 644 F HN 0.119 nan 8.300 nan 0.000 0.472 645 L N 5.897 126.918 121.223 -0.337 0.000 2.342 645 L HA 0.165 4.495 4.340 -0.016 0.000 0.285 645 L C 0.415 177.281 176.870 -0.007 0.000 1.095 645 L CA 0.030 54.777 54.840 -0.156 0.000 0.843 645 L CB 0.116 42.096 42.059 -0.131 0.000 1.201 645 L HN 0.596 nan 8.230 nan 0.000 0.445 646 E N 3.443 123.687 120.200 0.074 0.000 2.384 646 E HA -0.069 4.272 4.350 -0.016 0.000 0.266 646 E C 0.333 177.065 176.600 0.221 0.000 1.012 646 E CA -0.188 56.348 56.400 0.227 0.000 0.901 646 E CB 0.252 30.075 29.700 0.205 0.000 0.967 646 E HN 0.561 nan 8.360 nan 0.000 0.435 647 N N 3.130 122.002 118.700 0.286 0.000 2.671 647 N HA -0.290 4.440 4.740 -0.016 0.000 0.261 647 N C -1.678 173.948 175.510 0.193 0.000 1.053 647 N CA 0.529 53.717 53.050 0.230 0.000 0.732 647 N CB -1.326 37.299 38.487 0.231 0.000 0.887 647 N HN 0.469 nan 8.380 nan 0.000 0.546 648 Y N 2.529 122.877 120.300 0.079 0.000 2.605 648 Y HA 0.245 4.785 4.550 -0.016 0.000 0.336 648 Y C 0.994 176.924 175.900 0.050 0.000 1.111 648 Y CA 0.076 58.196 58.100 0.033 0.000 1.422 648 Y CB 0.225 38.670 38.460 -0.024 0.000 1.193 648 Y HN 0.396 nan 8.280 nan 0.000 0.526 649 R N 2.819 123.002 120.500 -0.528 0.000 2.846 649 R HA 0.527 4.857 4.340 -0.016 0.000 0.263 649 R C -0.156 175.797 176.300 -0.578 0.000 1.080 649 R CA -0.731 55.119 56.100 -0.417 0.000 0.961 649 R CB 0.514 30.743 30.300 -0.118 0.000 1.231 649 R HN 0.361 nan 8.270 nan 0.000 0.465 650 V N 1.126 120.713 119.914 -0.546 0.000 2.324 650 V HA -0.306 3.805 4.120 -0.016 0.000 0.250 650 V C 2.560 178.491 176.094 -0.272 0.000 1.060 650 V CA 2.861 64.890 62.300 -0.451 0.000 1.042 650 V CB -0.779 30.732 31.823 -0.520 0.000 0.650 650 V HN 0.946 nan 8.190 nan 0.000 0.450 651 S N -0.250 115.316 115.700 -0.223 0.000 2.383 651 S HA -0.157 4.303 4.470 -0.016 0.000 0.227 651 S C 1.909 176.430 174.600 -0.133 0.000 1.026 651 S CA 1.467 59.568 58.200 -0.166 0.000 0.981 651 S CB -0.491 62.643 63.200 -0.110 0.000 0.818 651 S HN 0.384 nan 8.310 nan 0.000 0.472 652 L N 1.991 123.148 121.223 -0.111 0.000 2.156 652 L HA 0.311 4.641 4.340 -0.016 0.000 0.208 652 L C 2.689 179.574 176.870 0.026 0.000 1.095 652 L CA 1.287 56.120 54.840 -0.011 0.000 0.770 652 L CB -1.318 40.798 42.059 0.095 0.000 0.914 652 L HN 0.365 nan 8.230 nan 0.000 0.439 653 A N -0.637 122.158 122.820 -0.041 0.000 1.908 653 A HA -0.225 4.086 4.320 -0.016 0.000 0.218 653 A C 2.083 179.738 177.584 0.118 0.000 1.181 653 A CA 1.817 53.918 52.037 0.105 0.000 0.627 653 A CB -0.566 18.484 19.000 0.083 0.000 0.818 653 A HN 0.603 nan 8.150 nan 0.000 0.445 654 E N -0.908 119.333 120.200 0.069 0.000 2.418 654 E HA -0.126 4.214 4.350 -0.016 0.000 0.197 654 E C 1.767 178.351 176.600 -0.028 0.000 1.026 654 E CA 1.007 57.415 56.400 0.013 0.000 0.862 654 E CB 0.015 29.608 29.700 -0.180 0.000 0.799 654 E HN 0.551 nan 8.360 nan 0.000 0.518 655 K N 0.302 120.676 120.400 -0.043 0.000 2.056 655 K HA -0.024 4.286 4.320 -0.016 0.000 0.205 655 K C 1.966 178.483 176.600 -0.138 0.000 1.035 655 K CA 0.527 56.805 56.287 -0.015 0.000 0.955 655 K CB -0.023 32.472 32.500 -0.009 0.000 0.769 655 K HN -0.110 nan 8.250 nan 0.000 0.447 656 V N 1.634 121.320 119.914 -0.381 0.000 2.261 656 V HA -0.256 3.854 4.120 -0.016 0.000 0.246 656 V C 2.224 178.080 176.094 -0.397 0.000 1.047 656 V CA 1.857 63.642 62.300 -0.858 0.000 1.015 656 V CB -0.540 30.929 31.823 -0.589 0.000 0.642 656 V HN 0.290 nan 8.190 nan 0.000 0.446 657 I N 0.408 120.822 120.570 -0.261 0.000 2.087 657 I HA -0.228 3.932 4.170 -0.016 0.000 0.240 657 I C -0.205 175.873 176.117 -0.065 0.000 1.054 657 I CA 2.079 63.218 61.300 -0.267 0.000 1.311 657 I CB -1.571 36.132 38.000 -0.496 0.000 1.024 657 I HN 0.355 nan 8.210 nan 0.000 0.402 658 P HA -0.104 nan 4.420 nan 0.000 0.228 658 P C 0.544 177.879 177.300 0.059 0.000 1.151 658 P CA 1.141 64.257 63.100 0.028 0.000 0.770 658 P CB 0.047 31.766 31.700 0.032 0.000 0.786 659 A N -1.419 121.428 122.820 0.044 0.000 2.465 659 A HA 0.563 4.874 4.320 -0.016 0.000 0.255 659 A C 0.940 178.665 177.584 0.235 0.000 1.274 659 A CA -0.116 52.008 52.037 0.145 0.000 0.920 659 A CB -0.343 18.766 19.000 0.181 0.000 1.033 659 A HN 0.160 nan 8.150 nan 0.000 0.516 660 A N -0.155 122.776 122.820 0.186 0.000 2.328 660 A HA 0.515 4.825 4.320 -0.016 0.000 0.284 660 A C 0.331 178.045 177.584 0.217 0.000 1.160 660 A CA -0.277 51.903 52.037 0.238 0.000 0.818 660 A CB 0.391 19.637 19.000 0.409 0.000 1.087 660 A HN 0.261 nan 8.150 nan 0.000 0.504 661 D N 1.080 121.594 120.400 0.191 0.000 2.468 661 D HA 0.104 4.734 4.640 -0.016 0.000 0.243 661 D C 0.152 176.630 176.300 0.296 0.000 0.994 661 D CA 0.791 54.956 54.000 0.275 0.000 0.932 661 D CB 0.150 40.960 40.800 0.017 0.000 1.078 661 D HN 0.420 nan 8.370 nan 0.000 0.473 662 L N 1.424 122.681 121.223 0.056 0.000 2.287 662 L HA 0.230 4.561 4.340 -0.016 0.000 0.287 662 L C -0.281 176.379 176.870 -0.350 0.000 1.022 662 L CA -0.197 54.590 54.840 -0.088 0.000 0.814 662 L CB 1.732 43.717 42.059 -0.124 0.000 1.217 662 L HN -0.139 nan 8.230 nan 0.000 0.420 663 S N 4.673 120.074 115.700 -0.498 0.000 2.592 663 S HA 0.178 4.638 4.470 -0.016 0.000 0.305 663 S C -0.023 174.237 174.600 -0.566 0.000 1.118 663 S CA -0.762 56.868 58.200 -0.951 0.000 1.075 663 S CB -0.059 62.591 63.200 -0.917 0.000 1.107 663 S HN 0.492 nan 8.310 nan 0.000 0.503 664 E N 3.596 123.515 120.200 -0.468 0.000 2.328 664 E HA 0.068 4.408 4.350 -0.016 0.000 0.265 664 E C -0.153 176.329 176.600 -0.196 0.000 1.057 664 E CA 0.157 56.418 56.400 -0.233 0.000 0.916 664 E CB 0.477 30.073 29.700 -0.173 0.000 0.993 664 E HN 0.622 nan 8.360 nan 0.000 0.446 665 Q N 3.003 122.737 119.800 -0.110 0.000 3.048 665 Q HA 0.214 4.545 4.340 -0.016 0.000 0.337 665 Q C 0.152 176.110 176.000 -0.069 0.000 0.845 665 Q CA -0.327 55.421 55.803 -0.092 0.000 0.942 665 Q CB 0.532 29.225 28.738 -0.075 0.000 1.454 665 Q HN 0.440 nan 8.270 nan 0.000 0.392 666 I N 0.638 121.157 120.570 -0.086 0.000 3.780 666 I HA 0.038 4.199 4.170 -0.016 0.000 0.312 666 I C 0.826 176.855 176.117 -0.146 0.000 1.377 666 I CA 0.008 61.244 61.300 -0.106 0.000 1.224 666 I CB -1.717 36.187 38.000 -0.159 0.000 1.110 666 I HN -0.007 nan 8.210 nan 0.000 0.418 667 S N 0.085 115.709 115.700 -0.125 0.000 2.572 667 S HA 0.197 4.658 4.470 -0.016 0.000 0.279 667 S C 0.609 175.174 174.600 -0.058 0.000 1.341 667 S CA -0.442 57.710 58.200 -0.080 0.000 1.043 667 S CB 0.399 63.603 63.200 0.006 0.000 0.887 667 S HN 0.382 nan 8.310 nan 0.000 0.516 668 T N 2.958 117.520 114.554 0.013 0.000 2.908 668 T HA 0.352 4.692 4.350 -0.016 0.000 0.301 668 T C 0.804 175.510 174.700 0.011 0.000 1.019 668 T CA 0.321 62.438 62.100 0.028 0.000 1.152 668 T CB -0.078 68.891 68.868 0.167 0.000 0.966 668 T HN 1.004 nan 8.240 nan 0.000 0.540 669 A N 2.896 125.688 122.820 -0.047 0.000 2.584 669 A HA 0.435 4.746 4.320 -0.016 0.000 0.239 669 A C 1.697 179.273 177.584 -0.014 0.000 1.043 669 A CA 0.340 52.347 52.037 -0.049 0.000 0.756 669 A CB -0.849 18.109 19.000 -0.069 0.000 0.963 669 A HN 1.689 nan 8.150 nan 0.000 0.511 670 G N 1.347 110.139 108.800 -0.013 0.000 2.199 670 G HA2 -0.301 3.649 3.960 -0.016 0.000 0.254 670 G HA3 -0.301 3.649 3.960 -0.016 0.000 0.254 670 G C 1.066 175.962 174.900 -0.007 0.000 0.982 670 G CA 1.308 46.404 45.100 -0.006 0.000 0.632 670 G HN 1.971 nan 8.290 nan 0.000 0.529 671 T N -1.720 112.837 114.554 0.004 0.000 2.925 671 T HA 0.306 4.646 4.350 -0.016 0.000 0.245 671 T C 0.963 175.561 174.700 -0.170 0.000 1.025 671 T CA 1.234 63.284 62.100 -0.082 0.000 1.149 671 T CB 0.110 68.995 68.868 0.029 0.000 0.866 671 T HN 0.295 nan 8.240 nan 0.000 0.437 672 E N 1.850 122.077 120.200 0.044 0.000 2.159 672 E HA 0.526 4.867 4.350 -0.016 0.000 0.272 672 E C 1.113 177.688 176.600 -0.042 0.000 1.138 672 E CA 0.192 56.647 56.400 0.093 0.000 0.915 672 E CB 0.494 30.269 29.700 0.124 0.000 1.028 672 E HN 0.443 nan 8.360 nan 0.000 0.423 673 A N 3.353 126.088 122.820 -0.143 0.000 1.948 673 A HA -0.195 4.116 4.320 -0.016 0.000 0.220 673 A C 1.963 179.424 177.584 -0.205 0.000 1.177 673 A CA 2.110 53.962 52.037 -0.308 0.000 0.636 673 A CB -0.112 18.483 19.000 -0.675 0.000 0.815 673 A HN 0.611 nan 8.150 nan 0.000 0.449 674 S N -4.138 111.493 115.700 -0.115 0.000 4.428 674 S HA 0.447 4.908 4.470 -0.016 0.000 0.199 674 S C 0.644 175.222 174.600 -0.037 0.000 1.156 674 S CA 1.367 59.535 58.200 -0.053 0.000 1.134 674 S CB -0.193 62.986 63.200 -0.036 0.000 1.531 674 S HN 2.275 nan 8.310 nan 0.000 0.551 675 G N 0.189 108.971 108.800 -0.030 0.000 2.692 675 G HA2 0.020 3.970 3.960 -0.016 0.000 0.686 675 G HA3 0.020 3.970 3.960 -0.016 0.000 0.686 675 G C 0.222 175.085 174.900 -0.062 0.000 1.243 675 G CA 0.452 45.528 45.100 -0.039 0.000 0.782 675 G HN 1.395 nan 8.290 nan 0.000 0.625 676 T N -2.479 112.020 114.554 -0.091 0.000 3.154 676 T HA 0.358 4.699 4.350 -0.016 0.000 0.258 676 T C 2.366 176.928 174.700 -0.229 0.000 0.899 676 T CA 1.266 63.278 62.100 -0.147 0.000 0.908 676 T CB 0.135 68.916 68.868 -0.145 0.000 1.260 676 T HN 1.918 nan 8.240 nan 0.000 0.521 677 G N 3.083 111.774 108.800 -0.180 0.000 2.422 677 G HA2 -0.245 3.705 3.960 -0.016 0.000 0.218 677 G HA3 -0.245 3.705 3.960 -0.016 0.000 0.218 677 G C 1.439 176.307 174.900 -0.054 0.000 1.146 677 G CA 1.198 46.177 45.100 -0.201 0.000 0.769 677 G HN 0.824 nan 8.290 nan 0.000 0.547 678 N N 0.357 119.057 118.700 -0.000 0.000 2.069 678 N HA -0.174 4.556 4.740 -0.016 0.000 0.191 678 N C 2.242 177.725 175.510 -0.045 0.000 1.031 678 N CA 1.467 54.534 53.050 0.029 0.000 0.852 678 N CB -0.411 38.038 38.487 -0.064 0.000 1.018 678 N HN 0.334 nan 8.380 nan 0.000 0.423 679 M N 0.890 120.383 119.600 -0.178 0.000 2.159 679 M HA -0.076 4.394 4.480 -0.016 0.000 0.263 679 M C 2.031 178.251 176.300 -0.134 0.000 1.063 679 M CA 1.604 56.783 55.300 -0.201 0.000 1.110 679 M CB -0.189 32.295 32.600 -0.193 0.000 1.374 679 M HN 0.138 nan 8.290 nan 0.000 0.411 680 K N 0.067 120.307 120.400 -0.267 0.000 2.026 680 K HA -0.103 4.207 4.320 -0.016 0.000 0.208 680 K C 1.731 178.215 176.600 -0.192 0.000 1.048 680 K CA 1.402 57.476 56.287 -0.355 0.000 0.929 680 K CB -0.348 31.693 32.500 -0.765 0.000 0.713 680 K HN 0.101 nan 8.250 nan 0.000 0.439 681 F N 1.271 121.125 119.950 -0.159 0.000 2.126 681 F HA -0.178 4.338 4.527 -0.017 0.000 0.299 681 F C 2.539 178.287 175.800 -0.087 0.000 1.096 681 F CA 1.334 59.265 58.000 -0.114 0.000 1.255 681 F CB -0.380 38.538 39.000 -0.137 0.000 0.997 681 F HN 0.024 nan 8.300 nan 0.000 0.479 682 M N -0.518 119.144 119.600 0.103 0.000 2.086 682 M HA -0.227 4.243 4.480 -0.016 0.000 0.261 682 M C 2.274 178.618 176.300 0.074 0.000 1.067 682 M CA 1.682 57.014 55.300 0.054 0.000 1.116 682 M CB -0.409 32.221 32.600 0.050 0.000 1.348 682 M HN 0.226 nan 8.290 nan 0.000 0.407 683 L N 0.212 121.479 121.223 0.073 0.000 2.131 683 L HA -0.234 4.096 4.340 -0.016 0.000 0.210 683 L C 1.438 178.354 176.870 0.076 0.000 1.092 683 L CA 1.156 56.049 54.840 0.088 0.000 0.759 683 L CB -0.478 41.639 42.059 0.097 0.000 0.903 683 L HN 0.434 nan 8.230 nan 0.000 0.435 684 N N -0.059 118.681 118.700 0.067 0.000 2.383 684 N HA 0.029 4.759 4.740 -0.016 0.000 0.192 684 N C 0.878 176.432 175.510 0.072 0.000 1.141 684 N CA 0.902 53.992 53.050 0.067 0.000 0.851 684 N CB 0.672 39.191 38.487 0.053 0.000 0.976 684 N HN 0.414 nan 8.380 nan 0.000 0.465 685 G N 0.478 109.317 108.800 0.065 0.000 2.203 685 G HA2 -0.141 3.809 3.960 -0.016 0.000 0.231 685 G HA3 -0.141 3.809 3.960 -0.016 0.000 0.231 685 G C -0.168 174.779 174.900 0.079 0.000 1.058 685 G CA 0.087 45.220 45.100 0.054 0.000 0.781 685 G HN 0.526 nan 8.290 nan 0.000 0.496 686 A N -0.534 122.324 122.820 0.064 0.000 2.356 686 A HA 0.906 5.217 4.320 -0.016 0.000 0.323 686 A C -0.369 177.138 177.584 -0.128 0.000 1.119 686 A CA -0.779 51.290 52.037 0.053 0.000 0.790 686 A CB 1.463 20.538 19.000 0.125 0.000 1.273 686 A HN 0.782 nan 8.150 nan 0.000 0.452 687 L N 1.117 122.199 121.223 -0.234 0.000 2.334 687 L HA 0.505 4.835 4.340 -0.016 0.000 0.277 687 L C 0.570 177.256 176.870 -0.305 0.000 1.075 687 L CA 0.468 55.084 54.840 -0.373 0.000 0.804 687 L CB 1.439 43.148 42.059 -0.584 0.000 1.174 687 L HN 0.738 nan 8.230 nan 0.000 0.438 688 T N 4.550 118.846 114.554 -0.429 0.000 2.799 688 T HA 0.515 4.856 4.350 -0.016 0.000 0.286 688 T C -0.115 174.514 174.700 -0.118 0.000 0.973 688 T CA -0.119 61.758 62.100 -0.372 0.000 1.035 688 T CB 0.837 69.351 68.868 -0.589 0.000 0.932 688 T HN 0.450 nan 8.240 nan 0.000 0.469 689 I N 2.973 123.513 120.570 -0.050 0.000 2.390 689 I HA 0.685 4.846 4.170 -0.016 0.000 0.283 689 I C 0.028 176.272 176.117 0.211 0.000 1.016 689 I CA -0.012 61.370 61.300 0.137 0.000 1.151 689 I CB 0.095 38.109 38.000 0.023 0.000 1.293 689 I HN 0.774 nan 8.210 nan 0.000 0.458 690 G N 3.961 112.928 108.800 0.278 0.000 2.687 690 G HA2 0.521 4.472 3.960 -0.016 0.000 0.291 690 G HA3 0.521 4.472 3.960 -0.016 0.000 0.291 690 G C -0.782 174.033 174.900 -0.142 0.000 1.420 690 G CA -0.378 44.789 45.100 0.112 0.000 0.796 690 G HN 0.521 nan 8.290 nan 0.000 0.485 691 T N -1.774 112.585 114.554 -0.325 0.000 2.824 691 T HA 0.502 4.842 4.350 -0.016 0.000 0.277 691 T C 0.657 175.243 174.700 -0.190 0.000 0.975 691 T CA -0.638 61.205 62.100 -0.428 0.000 0.966 691 T CB 1.035 69.670 68.868 -0.388 0.000 1.054 691 T HN 0.214 nan 8.240 nan 0.000 0.533 692 M N 2.561 122.063 119.600 -0.162 0.000 3.422 692 M HA 0.348 4.819 4.480 -0.016 0.000 0.248 692 M C -0.551 175.703 176.300 -0.076 0.000 1.433 692 M CA -0.221 55.023 55.300 -0.092 0.000 1.592 692 M CB -1.576 30.977 32.600 -0.079 0.000 1.078 692 M HN 0.694 nan 8.290 nan 0.000 0.578 693 D N -0.327 120.033 120.400 -0.068 0.000 2.527 693 D HA 0.675 5.305 4.640 -0.016 0.000 0.233 693 D C 0.885 177.167 176.300 -0.030 0.000 1.063 693 D CA 0.660 54.632 54.000 -0.046 0.000 0.880 693 D CB 1.868 42.638 40.800 -0.049 0.000 1.457 693 D HN 0.573 nan 8.370 nan 0.000 0.475 694 G N 1.792 110.582 108.800 -0.015 0.000 2.684 694 G HA2 -0.315 3.635 3.960 -0.016 0.000 0.332 694 G HA3 -0.315 3.635 3.960 -0.016 0.000 0.332 694 G C 1.017 175.915 174.900 -0.004 0.000 1.306 694 G CA 1.403 46.498 45.100 -0.009 0.000 1.002 694 G HN 0.963 nan 8.290 nan 0.000 0.545 695 A N -0.138 122.671 122.820 -0.017 0.000 2.208 695 A HA 0.168 4.479 4.320 -0.016 0.000 0.209 695 A C 2.072 179.613 177.584 -0.073 0.000 1.161 695 A CA 1.672 53.697 52.037 -0.020 0.000 0.782 695 A CB -0.387 18.581 19.000 -0.055 0.000 0.816 695 A HN 0.589 nan 8.150 nan 0.000 0.477 696 N N 0.652 119.320 118.700 -0.053 0.000 2.104 696 N HA -0.155 4.575 4.740 -0.016 0.000 0.190 696 N C 1.616 177.092 175.510 -0.056 0.000 1.024 696 N CA 1.637 54.679 53.050 -0.012 0.000 0.853 696 N CB -0.723 37.772 38.487 0.013 0.000 1.008 696 N HN 0.260 nan 8.380 nan 0.000 0.424 697 V N 1.439 121.323 119.914 -0.050 0.000 2.252 697 V HA -0.257 3.853 4.120 -0.016 0.000 0.249 697 V C 1.988 178.040 176.094 -0.069 0.000 1.056 697 V CA 1.857 64.118 62.300 -0.065 0.000 1.022 697 V CB -0.610 31.190 31.823 -0.038 0.000 0.641 697 V HN 0.377 nan 8.190 nan 0.000 0.445 698 E N -0.654 119.554 120.200 0.013 0.000 2.204 698 E HA -0.169 4.172 4.350 -0.016 0.000 0.194 698 E C 2.184 178.894 176.600 0.184 0.000 0.989 698 E CA 1.168 57.631 56.400 0.105 0.000 0.824 698 E CB -0.203 29.632 29.700 0.224 0.000 0.756 698 E HN 0.571 nan 8.360 nan 0.000 0.477 699 M N 0.336 119.979 119.600 0.072 0.000 2.099 699 M HA -0.106 4.364 4.480 -0.016 0.000 0.262 699 M C 2.496 178.450 176.300 -0.577 0.000 1.067 699 M CA 1.455 56.735 55.300 -0.034 0.000 1.124 699 M CB -0.148 32.381 32.600 -0.118 0.000 1.353 699 M HN 0.128 nan 8.290 nan 0.000 0.410 700 A N -0.099 122.131 122.820 -0.982 0.000 1.969 700 A HA -0.193 4.117 4.320 -0.016 0.000 0.218 700 A C 2.004 179.280 177.584 -0.514 0.000 1.169 700 A CA 1.806 53.108 52.037 -1.226 0.000 0.635 700 A CB -0.747 17.790 19.000 -0.771 0.000 0.810 700 A HN 0.592 nan 8.150 nan 0.000 0.445 701 E N -0.417 119.611 120.200 -0.286 0.000 2.106 701 E HA -0.233 4.108 4.350 -0.016 0.000 0.192 701 E C 1.859 178.387 176.600 -0.120 0.000 0.984 701 E CA 1.340 57.647 56.400 -0.156 0.000 0.806 701 E CB -0.104 29.540 29.700 -0.093 0.000 0.750 701 E HN 0.530 nan 8.360 nan 0.000 0.458 702 E N 0.160 120.306 120.200 -0.090 0.000 2.072 702 E HA -0.078 4.262 4.350 -0.016 0.000 0.191 702 E C 1.466 178.048 176.600 -0.029 0.000 0.985 702 E CA 1.497 57.877 56.400 -0.033 0.000 0.801 702 E CB -0.070 29.669 29.700 0.065 0.000 0.750 702 E HN 0.341 nan 8.360 nan 0.000 0.452 703 A N -0.836 121.943 122.820 -0.067 0.000 2.267 703 A HA 0.502 4.813 4.320 -0.016 0.000 0.213 703 A C 0.760 178.320 177.584 -0.040 0.000 1.192 703 A CA 0.581 52.618 52.037 0.001 0.000 0.851 703 A CB -0.049 19.046 19.000 0.158 0.000 0.881 703 A HN 0.274 nan 8.150 nan 0.000 0.494 704 G N -0.078 108.653 108.800 -0.116 0.000 3.307 704 G HA2 -0.092 3.858 3.960 -0.016 0.000 0.686 704 G HA3 -0.092 3.858 3.960 -0.016 0.000 0.686 704 G C -0.050 174.778 174.900 -0.119 0.000 0.983 704 G CA 0.017 45.059 45.100 -0.097 0.000 0.804 704 G HN 0.181 nan 8.290 nan 0.000 0.531 705 E N 0.503 120.624 120.200 -0.131 0.000 2.339 705 E HA -0.166 4.174 4.350 -0.016 0.000 0.201 705 E C 2.437 179.000 176.600 -0.062 0.000 1.015 705 E CA 1.701 58.035 56.400 -0.109 0.000 0.841 705 E CB 0.191 29.840 29.700 -0.085 0.000 0.754 705 E HN 0.786 nan 8.360 nan 0.000 0.508 706 E N -0.008 120.152 120.200 -0.067 0.000 2.358 706 E HA -0.115 4.226 4.350 -0.016 0.000 0.195 706 E C 0.571 177.093 176.600 -0.130 0.000 1.010 706 E CA 0.633 56.975 56.400 -0.096 0.000 0.856 706 E CB -0.013 29.644 29.700 -0.073 0.000 0.795 706 E HN 0.224 nan 8.360 nan 0.000 0.504 707 N N -0.071 118.610 118.700 -0.032 0.000 2.268 707 N HA 0.150 4.881 4.740 -0.016 0.000 0.204 707 N C -0.833 174.724 175.510 0.078 0.000 1.124 707 N CA 0.122 53.164 53.050 -0.013 0.000 0.838 707 N CB 0.155 38.684 38.487 0.070 0.000 0.994 707 N HN 0.030 nan 8.380 nan 0.000 0.489 708 F N -0.737 119.023 119.950 -0.316 0.000 2.654 708 F HA 0.454 4.970 4.527 -0.017 0.000 0.334 708 F C -0.279 175.251 175.800 -0.450 0.000 1.078 708 F CA -1.296 56.560 58.000 -0.241 0.000 0.986 708 F CB 0.940 39.881 39.000 -0.098 0.000 1.362 708 F HN -0.252 nan 8.300 nan 0.000 0.498 709 F N 2.846 122.865 119.950 0.115 0.000 2.542 709 F HA 0.368 4.885 4.527 -0.016 0.000 0.323 709 F C -0.375 175.559 175.800 0.223 0.000 1.411 709 F CA -0.498 57.570 58.000 0.113 0.000 1.124 709 F CB 0.057 39.076 39.000 0.031 0.000 1.331 709 F HN -0.056 nan 8.300 nan 0.000 0.560 710 I N 2.185 122.936 120.570 0.302 0.000 2.638 710 I HA 0.282 4.442 4.170 -0.016 0.000 0.286 710 I C 0.108 176.406 176.117 0.301 0.000 1.088 710 I CA -0.181 61.257 61.300 0.230 0.000 1.397 710 I CB 0.259 38.318 38.000 0.098 0.000 1.414 710 I HN 0.342 nan 8.210 nan 0.000 0.566 711 F N 1.400 121.396 119.950 0.077 0.000 3.052 711 F HA 0.756 5.273 4.527 -0.017 0.000 0.323 711 F C 0.080 175.906 175.800 0.044 0.000 1.178 711 F CA -0.340 57.701 58.000 0.069 0.000 0.892 711 F CB 0.603 39.662 39.000 0.099 0.000 1.416 711 F HN 0.823 nan 8.300 nan 0.000 0.488 712 G N 0.869 109.762 108.800 0.155 0.000 2.804 712 G HA2 -0.145 3.806 3.960 -0.016 0.000 0.230 712 G HA3 -0.145 3.806 3.960 -0.016 0.000 0.230 712 G C -0.678 174.199 174.900 -0.037 0.000 1.386 712 G CA -0.344 44.773 45.100 0.028 0.000 0.875 712 G HN 0.949 nan 8.290 nan 0.000 0.557 713 M N -0.063 119.521 119.600 -0.027 0.000 2.248 713 M HA 0.385 4.856 4.480 -0.016 0.000 0.337 713 M C 0.975 177.239 176.300 -0.060 0.000 1.121 713 M CA 0.184 55.472 55.300 -0.019 0.000 1.155 713 M CB 0.525 33.122 32.600 -0.006 0.000 1.514 713 M HN 0.538 nan 8.290 nan 0.000 0.452 714 R N 0.749 121.227 120.500 -0.037 0.000 2.596 714 R HA 0.310 4.641 4.340 -0.016 0.000 0.267 714 R C 0.990 177.268 176.300 -0.037 0.000 1.026 714 R CA -0.480 55.593 56.100 -0.046 0.000 1.087 714 R CB 0.558 30.839 30.300 -0.032 0.000 1.132 714 R HN 0.582 nan 8.270 nan 0.000 0.531 715 V N 1.586 121.477 119.914 -0.039 0.000 2.277 715 V HA -0.355 3.756 4.120 -0.016 0.000 0.253 715 V C 1.966 178.046 176.094 -0.024 0.000 1.067 715 V CA 2.513 64.794 62.300 -0.032 0.000 1.047 715 V CB -0.756 31.047 31.823 -0.033 0.000 0.649 715 V HN 0.889 nan 8.190 nan 0.000 0.447 716 E N 0.099 120.287 120.200 -0.021 0.000 2.160 716 E HA -0.261 4.079 4.350 -0.016 0.000 0.195 716 E C 1.613 178.212 176.600 -0.002 0.000 0.991 716 E CA 1.751 58.144 56.400 -0.012 0.000 0.810 716 E CB -0.393 29.300 29.700 -0.011 0.000 0.742 716 E HN 0.600 nan 8.360 nan 0.000 0.466 717 D N 0.852 121.253 120.400 0.001 0.000 2.149 717 D HA -0.076 4.555 4.640 -0.016 0.000 0.201 717 D C 2.218 178.528 176.300 0.018 0.000 0.972 717 D CA 1.031 55.042 54.000 0.019 0.000 0.835 717 D CB 0.034 40.849 40.800 0.026 0.000 0.966 717 D HN 0.143 nan 8.370 nan 0.000 0.476 718 V N 2.054 121.964 119.914 -0.006 0.000 2.343 718 V HA -0.212 3.898 4.120 -0.016 0.000 0.247 718 V C 1.922 178.009 176.094 -0.012 0.000 1.051 718 V CA 1.703 63.990 62.300 -0.022 0.000 1.036 718 V CB -0.399 31.400 31.823 -0.040 0.000 0.654 718 V HN 0.064 nan 8.190 nan 0.000 0.451 719 D N 0.028 120.423 120.400 -0.009 0.000 2.117 719 D HA -0.140 4.491 4.640 -0.016 0.000 0.197 719 D C 2.368 178.674 176.300 0.010 0.000 0.987 719 D CA 1.124 55.121 54.000 -0.005 0.000 0.829 719 D CB -0.338 40.455 40.800 -0.011 0.000 0.961 719 D HN 0.382 nan 8.370 nan 0.000 0.460 720 R N -0.018 120.494 120.500 0.019 0.000 2.152 720 R HA -0.083 4.248 4.340 -0.016 0.000 0.232 720 R C 2.100 178.431 176.300 0.051 0.000 1.117 720 R CA 0.354 56.472 56.100 0.031 0.000 0.981 720 R CB -0.284 30.036 30.300 0.033 0.000 0.870 720 R HN 0.157 nan 8.270 nan 0.000 0.451 721 L N 1.282 122.543 121.223 0.062 0.000 2.179 721 L HA -0.074 4.256 4.340 -0.016 0.000 0.208 721 L C 1.473 178.399 176.870 0.094 0.000 1.096 721 L CA 1.768 56.671 54.840 0.105 0.000 0.779 721 L CB -0.451 41.683 42.059 0.126 0.000 0.922 721 L HN 0.013 nan 8.230 nan 0.000 0.443 722 D N -0.843 119.586 120.400 0.049 0.000 2.097 722 D HA -0.189 4.441 4.640 -0.016 0.000 0.197 722 D C 2.063 178.387 176.300 0.039 0.000 0.984 722 D CA 1.006 55.027 54.000 0.036 0.000 0.826 722 D CB 0.045 40.846 40.800 0.002 0.000 0.973 722 D HN 0.457 nan 8.370 nan 0.000 0.460 723 Q N 0.075 119.894 119.800 0.032 0.000 2.133 723 Q HA -0.221 4.109 4.340 -0.016 0.000 0.208 723 Q C 2.050 178.070 176.000 0.035 0.000 0.991 723 Q CA 1.708 57.528 55.803 0.028 0.000 0.867 723 Q CB -0.158 28.595 28.738 0.024 0.000 0.911 723 Q HN 0.379 nan 8.270 nan 0.000 0.417 724 R N -0.717 119.812 120.500 0.048 0.000 2.334 724 R HA 0.312 4.642 4.340 -0.016 0.000 0.212 724 R C 0.267 176.603 176.300 0.060 0.000 0.897 724 R CA 0.508 56.637 56.100 0.049 0.000 1.056 724 R CB 0.546 30.877 30.300 0.051 0.000 1.046 724 R HN 0.095 nan 8.270 nan 0.000 0.513 725 G N 0.964 109.811 108.800 0.078 0.000 2.895 725 G HA2 -0.281 3.669 3.960 -0.016 0.000 0.686 725 G HA3 -0.281 3.669 3.960 -0.016 0.000 0.686 725 G C -1.457 173.536 174.900 0.155 0.000 1.108 725 G CA -0.409 44.748 45.100 0.095 0.000 0.761 725 G HN 0.289 nan 8.290 nan 0.000 0.611 726 Y N 3.151 123.469 120.300 0.031 0.000 2.336 726 Y HA 0.623 5.164 4.550 -0.016 0.000 0.335 726 Y C 0.411 176.347 175.900 0.061 0.000 1.046 726 Y CA -1.033 57.100 58.100 0.055 0.000 1.198 726 Y CB 1.225 39.688 38.460 0.005 0.000 1.182 726 Y HN 0.612 nan 8.280 nan 0.000 0.502 727 N N 5.159 123.622 118.700 -0.395 0.000 2.682 727 N HA 0.262 4.992 4.740 -0.016 0.000 0.252 727 N C 0.071 175.339 175.510 -0.403 0.000 1.081 727 N CA 0.298 53.150 53.050 -0.330 0.000 0.844 727 N CB 1.289 39.713 38.487 -0.105 0.000 1.167 727 N HN 0.903 nan 8.380 nan 0.000 0.523 728 A N 2.396 124.818 122.820 -0.663 0.000 2.024 728 A HA -0.233 4.077 4.320 -0.016 0.000 0.220 728 A C 1.966 179.684 177.584 0.225 0.000 1.164 728 A CA 1.462 53.377 52.037 -0.204 0.000 0.643 728 A CB -0.314 18.515 19.000 -0.286 0.000 0.806 728 A HN 0.725 nan 8.150 nan 0.000 0.451 729 Q N 0.219 120.039 119.800 0.033 0.000 2.152 729 Q HA -0.232 4.098 4.340 -0.016 0.000 0.206 729 Q C 1.872 177.963 176.000 0.151 0.000 0.985 729 Q CA 2.297 58.145 55.803 0.075 0.000 0.863 729 Q CB -0.354 28.379 28.738 -0.008 0.000 0.904 729 Q HN 0.776 nan 8.270 nan 0.000 0.422 730 E N -1.330 118.921 120.200 0.084 0.000 2.038 730 E HA -0.232 4.109 4.350 -0.016 0.000 0.195 730 E C 1.614 178.204 176.600 -0.017 0.000 1.000 730 E CA 1.492 57.885 56.400 -0.011 0.000 0.803 730 E CB -0.235 29.388 29.700 -0.129 0.000 0.750 730 E HN 0.570 nan 8.360 nan 0.000 0.448 731 Y N -1.025 119.327 120.300 0.086 0.000 2.274 731 Y HA -0.220 4.320 4.550 -0.016 0.000 0.290 731 Y C 2.161 178.032 175.900 -0.048 0.000 1.145 731 Y CA 1.536 59.675 58.100 0.065 0.000 1.203 731 Y CB -0.628 37.935 38.460 0.172 0.000 0.984 731 Y HN 0.283 nan 8.280 nan 0.000 0.533 732 Y N 1.043 121.337 120.300 -0.010 0.000 2.200 732 Y HA -0.225 4.316 4.550 -0.016 0.000 0.290 732 Y C 1.859 177.704 175.900 -0.091 0.000 1.137 732 Y CA 1.747 59.755 58.100 -0.153 0.000 1.163 732 Y CB -0.278 38.147 38.460 -0.058 0.000 0.988 732 Y HN 0.051 nan 8.280 nan 0.000 0.518 733 D N -0.048 120.404 120.400 0.087 0.000 2.183 733 D HA -0.082 4.548 4.640 -0.016 0.000 0.203 733 D C 1.505 177.755 176.300 -0.084 0.000 0.969 733 D CA 1.177 55.173 54.000 -0.006 0.000 0.842 733 D CB -0.127 40.709 40.800 0.061 0.000 0.957 733 D HN 0.471 nan 8.370 nan 0.000 0.484 734 R N 0.050 120.506 120.500 -0.073 0.000 2.427 734 R HA 0.319 4.649 4.340 -0.016 0.000 0.262 734 R C 0.216 176.480 176.300 -0.060 0.000 0.943 734 R CA 0.061 56.117 56.100 -0.074 0.000 1.081 734 R CB 1.052 31.300 30.300 -0.087 0.000 1.166 734 R HN 0.122 nan 8.270 nan 0.000 0.534 735 I N 2.321 122.835 120.570 -0.093 0.000 2.583 735 I HA 0.187 4.347 4.170 -0.016 0.000 0.276 735 I C -1.794 174.226 176.117 -0.162 0.000 1.089 735 I CA -2.059 59.200 61.300 -0.067 0.000 1.103 735 I CB 2.335 40.337 38.000 0.003 0.000 1.209 735 I HN -0.247 nan 8.210 nan 0.000 0.484 736 P HA -0.158 nan 4.420 nan 0.000 0.218 736 P C 0.999 178.214 177.300 -0.141 0.000 1.148 736 P CA 1.443 64.449 63.100 -0.157 0.000 0.822 736 P CB 0.528 32.167 31.700 -0.103 0.000 0.784 737 E N -0.492 119.668 120.200 -0.068 0.000 2.158 737 E HA -0.049 4.291 4.350 -0.016 0.000 0.191 737 E C 2.157 178.699 176.600 -0.097 0.000 0.982 737 E CA 0.282 56.666 56.400 -0.026 0.000 0.823 737 E CB -0.391 29.360 29.700 0.085 0.000 0.766 737 E HN 0.211 nan 8.360 nan 0.000 0.468 738 L N 1.070 122.154 121.223 -0.232 0.000 2.027 738 L HA -0.158 4.172 4.340 -0.016 0.000 0.206 738 L C 2.728 179.346 176.870 -0.419 0.000 1.074 738 L CA 1.189 55.679 54.840 -0.583 0.000 0.745 738 L CB -0.129 41.435 42.059 -0.824 0.000 0.898 738 L HN 0.010 nan 8.230 nan 0.000 0.433 739 R N -0.409 119.825 120.500 -0.443 0.000 2.117 739 R HA -0.277 4.053 4.340 -0.016 0.000 0.243 739 R C 2.354 178.503 176.300 -0.251 0.000 1.143 739 R CA 2.209 57.976 56.100 -0.555 0.000 0.968 739 R CB -0.342 29.506 30.300 -0.753 0.000 0.863 739 R HN 0.553 nan 8.270 nan 0.000 0.444 740 Q N 0.377 120.060 119.800 -0.194 0.000 2.084 740 Q HA -0.171 4.159 4.340 -0.016 0.000 0.202 740 Q C 2.106 178.056 176.000 -0.084 0.000 0.978 740 Q CA 1.780 57.509 55.803 -0.123 0.000 0.844 740 Q CB -0.065 28.605 28.738 -0.115 0.000 0.898 740 Q HN 0.468 nan 8.270 nan 0.000 0.426 741 I N 0.706 121.234 120.570 -0.069 0.000 2.226 741 I HA -0.278 3.882 4.170 -0.016 0.000 0.245 741 I C 2.081 178.235 176.117 0.062 0.000 1.100 741 I CA 0.582 61.884 61.300 0.004 0.000 1.374 741 I CB -0.305 37.702 38.000 0.012 0.000 1.057 741 I HN 0.270 nan 8.210 nan 0.000 0.413 742 I N 0.727 121.339 120.570 0.070 0.000 2.361 742 I HA -0.218 3.942 4.170 -0.016 0.000 0.251 742 I C 2.453 178.669 176.117 0.164 0.000 1.133 742 I CA 1.501 62.903 61.300 0.171 0.000 1.413 742 I CB -1.247 36.933 38.000 0.300 0.000 1.073 742 I HN 0.292 nan 8.210 nan 0.000 0.424 743 E N 0.392 120.660 120.200 0.114 0.000 2.158 743 E HA -0.124 4.216 4.350 -0.016 0.000 0.191 743 E C 2.128 178.760 176.600 0.054 0.000 0.982 743 E CA 0.580 57.034 56.400 0.090 0.000 0.823 743 E CB -0.271 29.463 29.700 0.057 0.000 0.766 743 E HN 0.557 nan 8.360 nan 0.000 0.468 744 Q N 0.184 119.980 119.800 -0.007 0.000 2.226 744 Q HA -0.039 4.292 4.340 -0.016 0.000 0.204 744 Q C 2.220 178.272 176.000 0.086 0.000 0.975 744 Q CA 0.698 56.451 55.803 -0.084 0.000 0.866 744 Q CB 0.037 28.560 28.738 -0.358 0.000 0.915 744 Q HN 0.247 nan 8.270 nan 0.000 0.440 745 L N -0.577 120.762 121.223 0.193 0.000 1.982 745 L HA -0.115 4.215 4.340 -0.016 0.000 0.206 745 L C 2.244 179.288 176.870 0.290 0.000 1.078 745 L CA 0.929 55.969 54.840 0.333 0.000 0.749 745 L CB -0.410 41.823 42.059 0.290 0.000 0.894 745 L HN 0.038 nan 8.230 nan 0.000 0.436 746 S N -0.190 115.637 115.700 0.211 0.000 2.493 746 S HA -0.132 4.328 4.470 -0.016 0.000 0.243 746 S C 1.960 176.640 174.600 0.132 0.000 0.991 746 S CA 1.294 59.594 58.200 0.167 0.000 0.957 746 S CB -0.250 63.032 63.200 0.137 0.000 0.756 746 S HN 0.597 nan 8.310 nan 0.000 0.521 747 S N -0.065 115.713 115.700 0.130 0.000 2.483 747 S HA 0.424 4.884 4.470 -0.016 0.000 0.221 747 S C 1.401 176.063 174.600 0.104 0.000 1.030 747 S CA 0.479 58.740 58.200 0.102 0.000 0.925 747 S CB 0.186 63.439 63.200 0.087 0.000 0.795 747 S HN 0.720 nan 8.310 nan 0.000 0.511 748 G N 0.874 109.759 108.800 0.142 0.000 2.151 748 G HA2 -0.223 3.727 3.960 -0.016 0.000 0.156 748 G HA3 -0.223 3.727 3.960 -0.016 0.000 0.156 748 G C 0.096 175.057 174.900 0.103 0.000 1.017 748 G CA 0.044 45.217 45.100 0.121 0.000 0.686 748 G HN 0.455 nan 8.290 nan 0.000 0.503 749 F N 0.253 120.161 119.950 -0.070 0.000 2.259 749 F HA 0.306 4.823 4.527 -0.016 0.000 0.298 749 F C 1.750 177.405 175.800 -0.241 0.000 1.088 749 F CA 1.428 59.284 58.000 -0.240 0.000 1.358 749 F CB 0.045 38.766 39.000 -0.466 0.000 1.040 749 F HN 0.137 nan 8.300 nan 0.000 0.505 750 F N -0.125 119.980 119.950 0.258 0.000 2.693 750 F HA 0.223 4.741 4.527 -0.016 0.000 0.303 750 F C 0.945 176.892 175.800 0.245 0.000 1.097 750 F CA 0.094 58.214 58.000 0.200 0.000 1.330 750 F CB -0.369 38.779 39.000 0.248 0.000 1.067 750 F HN 0.041 nan 8.300 nan 0.000 0.565 751 S N -2.305 113.554 115.700 0.265 0.000 2.612 751 S HA 0.317 4.777 4.470 -0.016 0.000 0.203 751 S C -2.335 172.272 174.600 0.011 0.000 0.965 751 S CA -0.923 57.324 58.200 0.078 0.000 1.157 751 S CB 0.542 63.657 63.200 -0.141 0.000 1.526 751 S HN -0.154 nan 8.310 nan 0.000 0.423 752 P HA -0.196 nan 4.420 nan 0.000 0.217 752 P C 1.424 178.715 177.300 -0.016 0.000 1.162 752 P CA 1.539 64.622 63.100 -0.027 0.000 0.901 752 P CB 0.093 31.759 31.700 -0.058 0.000 0.793 753 K N -0.426 119.966 120.400 -0.014 0.000 2.209 753 K HA -0.117 4.194 4.320 -0.016 0.000 0.204 753 K C 1.076 177.670 176.600 -0.009 0.000 1.048 753 K CA 1.174 57.456 56.287 -0.008 0.000 0.940 753 K CB -0.532 31.968 32.500 -0.000 0.000 0.729 753 K HN 0.517 nan 8.250 nan 0.000 0.451 754 Q N -0.332 119.455 119.800 -0.022 0.000 3.484 754 Q HA 0.230 4.561 4.340 -0.016 0.000 0.255 754 Q C -2.414 173.550 176.000 -0.059 0.000 0.909 754 Q CA -1.445 54.337 55.803 -0.035 0.000 0.774 754 Q CB 1.277 29.994 28.738 -0.035 0.000 1.431 754 Q HN -0.150 nan 8.270 nan 0.000 0.423 755 P HA -0.225 nan 4.420 nan 0.000 0.217 755 P C 0.146 177.444 177.300 -0.003 0.000 1.148 755 P CA 1.296 64.397 63.100 0.000 0.000 0.834 755 P CB 0.270 31.982 31.700 0.020 0.000 0.783 756 D N -0.932 119.460 120.400 -0.014 0.000 2.349 756 D HA -0.016 4.614 4.640 -0.016 0.000 0.224 756 D C 1.937 178.213 176.300 -0.041 0.000 1.029 756 D CA 0.006 54.006 54.000 0.000 0.000 0.879 756 D CB -0.191 40.617 40.800 0.013 0.000 0.906 756 D HN 0.072 nan 8.370 nan 0.000 0.528 757 L N 0.435 121.561 121.223 -0.163 0.000 1.997 757 L HA -0.226 4.104 4.340 -0.016 0.000 0.216 757 L C 1.365 178.030 176.870 -0.341 0.000 1.074 757 L CA 1.819 56.453 54.840 -0.342 0.000 0.763 757 L CB -0.612 41.046 42.059 -0.669 0.000 0.890 757 L HN -0.071 nan 8.230 nan 0.000 0.434 758 F N 0.041 120.053 119.950 0.103 0.000 2.664 758 F HA 0.115 4.633 4.527 -0.016 0.000 0.301 758 F C 1.935 177.795 175.800 0.100 0.000 1.126 758 F CA 0.153 58.208 58.000 0.091 0.000 1.373 758 F CB -1.161 37.893 39.000 0.090 0.000 1.042 758 F HN 0.214 nan 8.300 nan 0.000 0.535 759 K N -0.019 120.494 120.400 0.189 0.000 2.113 759 K HA -0.208 4.103 4.320 -0.016 0.000 0.208 759 K C 0.945 177.649 176.600 0.174 0.000 1.047 759 K CA 2.141 58.527 56.287 0.164 0.000 0.928 759 K CB -0.350 32.219 32.500 0.116 0.000 0.716 759 K HN 0.194 nan 8.250 nan 0.000 0.446 760 D N 0.932 121.443 120.400 0.184 0.000 2.234 760 D HA 0.012 4.643 4.640 -0.016 0.000 0.205 760 D C 2.117 178.518 176.300 0.169 0.000 0.962 760 D CA 0.837 54.946 54.000 0.182 0.000 0.855 760 D CB 0.062 40.992 40.800 0.216 0.000 0.951 760 D HN 0.305 nan 8.370 nan 0.000 0.500 761 I N 0.884 121.561 120.570 0.179 0.000 2.133 761 I HA -0.221 3.939 4.170 -0.016 0.000 0.238 761 I C 2.563 178.753 176.117 0.123 0.000 1.074 761 I CA 0.728 62.108 61.300 0.133 0.000 1.342 761 I CB -0.405 37.676 38.000 0.135 0.000 1.053 761 I HN -0.139 nan 8.210 nan 0.000 0.404 762 V N 1.435 121.442 119.914 0.156 0.000 2.282 762 V HA -0.345 3.765 4.120 -0.016 0.000 0.249 762 V C 2.375 178.534 176.094 0.108 0.000 1.057 762 V CA 2.274 64.656 62.300 0.137 0.000 1.032 762 V CB -0.994 30.927 31.823 0.164 0.000 0.645 762 V HN 0.535 nan 8.190 nan 0.000 0.447 763 N N -0.302 118.495 118.700 0.161 0.000 2.104 763 N HA -0.227 4.503 4.740 -0.016 0.000 0.190 763 N C 1.945 177.601 175.510 0.244 0.000 1.024 763 N CA 2.054 55.250 53.050 0.243 0.000 0.853 763 N CB -0.174 38.461 38.487 0.248 0.000 1.008 763 N HN 0.400 nan 8.380 nan 0.000 0.424 764 M N 0.606 120.320 119.600 0.190 0.000 2.067 764 M HA -0.146 4.325 4.480 -0.016 0.000 0.260 764 M C 1.872 178.198 176.300 0.042 0.000 1.069 764 M CA 1.051 56.460 55.300 0.183 0.000 1.117 764 M CB -0.811 31.872 32.600 0.140 0.000 1.334 764 M HN 0.080 nan 8.290 nan 0.000 0.407 765 L N 0.660 121.854 121.223 -0.049 0.000 1.971 765 L HA -0.249 4.082 4.340 -0.016 0.000 0.215 765 L C 2.643 179.241 176.870 -0.453 0.000 1.072 765 L CA 2.083 56.759 54.840 -0.273 0.000 0.758 765 L CB -1.368 40.578 42.059 -0.189 0.000 0.889 765 L HN 0.387 nan 8.230 nan 0.000 0.433 766 M N -1.886 117.523 119.600 -0.319 0.000 2.229 766 M HA -0.134 4.337 4.480 -0.016 0.000 0.264 766 M C 1.777 177.632 176.300 -0.742 0.000 1.063 766 M CA 1.687 56.691 55.300 -0.493 0.000 1.114 766 M CB -0.177 32.086 32.600 -0.562 0.000 1.387 766 M HN 0.320 nan 8.290 nan 0.000 0.420 767 H N -3.718 115.250 119.070 -0.170 0.000 3.457 767 H HA 0.285 4.831 4.556 -0.016 0.000 0.255 767 H C 0.095 175.022 175.328 -0.668 0.000 1.082 767 H CA 0.341 56.152 56.048 -0.395 0.000 1.189 767 H CB 0.316 29.802 29.762 -0.459 0.000 1.511 767 H HN 0.438 nan 8.280 nan 0.000 0.527 768 H N 0.159 119.278 119.070 0.081 0.000 2.924 768 H HA 0.130 4.676 4.556 -0.016 0.000 0.229 768 H C -0.617 174.725 175.328 0.022 0.000 1.345 768 H CA -0.327 55.758 56.048 0.060 0.000 1.044 768 H CB 0.907 30.711 29.762 0.068 0.000 2.221 768 H HN 0.002 nan 8.280 nan 0.000 0.574 769 D N 1.415 121.858 120.400 0.073 0.000 2.352 769 D HA 0.075 4.705 4.640 -0.016 0.000 0.245 769 D C 0.908 177.143 176.300 -0.109 0.000 1.224 769 D CA -0.069 53.938 54.000 0.013 0.000 0.879 769 D CB 0.651 41.439 40.800 -0.020 0.000 1.057 769 D HN 0.416 nan 8.370 nan 0.000 0.491 770 R N 2.595 122.931 120.500 -0.273 0.000 2.276 770 R HA -0.025 4.305 4.340 -0.016 0.000 0.203 770 R C 0.478 176.178 176.300 -0.999 0.000 1.017 770 R CA 0.583 56.303 56.100 -0.634 0.000 1.010 770 R CB 0.241 30.031 30.300 -0.850 0.000 0.900 770 R HN 0.390 nan 8.270 nan 0.000 0.469 771 F N 0.546 120.434 119.950 -0.104 0.000 2.708 771 F HA 0.259 4.776 4.527 -0.016 0.000 0.300 771 F C 0.110 175.753 175.800 -0.261 0.000 1.118 771 F CA -0.784 57.138 58.000 -0.131 0.000 1.307 771 F CB 0.139 39.121 39.000 -0.030 0.000 0.986 771 F HN -0.253 nan 8.300 nan 0.000 0.522 772 K N -0.332 119.786 120.400 -0.469 0.000 3.356 772 K HA -0.196 4.115 4.320 -0.016 0.000 0.270 772 K C 1.097 177.496 176.600 -0.334 0.000 0.901 772 K CA 0.180 55.956 56.287 -0.850 0.000 0.688 772 K CB -1.648 30.306 32.500 -0.909 0.000 1.460 772 K HN 0.246 nan 8.250 nan 0.000 0.458 773 V N -0.040 119.787 119.914 -0.145 0.000 2.287 773 V HA -0.289 3.821 4.120 -0.016 0.000 0.248 773 V C 1.996 178.212 176.094 0.203 0.000 1.053 773 V CA 2.095 64.409 62.300 0.023 0.000 1.027 773 V CB -0.464 31.376 31.823 0.030 0.000 0.646 773 V HN 0.424 nan 8.190 nan 0.000 0.447 774 F N 0.819 120.786 119.950 0.029 0.000 2.134 774 F HA -0.089 4.429 4.527 -0.016 0.000 0.299 774 F C 2.430 178.066 175.800 -0.273 0.000 1.097 774 F CA 0.876 58.855 58.000 -0.035 0.000 1.264 774 F CB -1.556 37.433 39.000 -0.019 0.000 1.001 774 F HN 0.176 nan 8.300 nan 0.000 0.479 775 A N -0.996 121.619 122.820 -0.342 0.000 2.259 775 A HA -0.121 4.189 4.320 -0.016 0.000 0.212 775 A C 0.935 178.519 177.584 -0.001 0.000 1.178 775 A CA 1.689 53.421 52.037 -0.508 0.000 0.734 775 A CB -0.637 18.199 19.000 -0.274 0.000 0.774 775 A HN 0.270 nan 8.150 nan 0.000 0.481 776 D N -3.862 116.612 120.400 0.123 0.000 2.538 776 D HA 0.112 4.742 4.640 -0.016 0.000 0.241 776 D C 0.761 177.261 176.300 0.334 0.000 1.297 776 D CA -0.260 53.881 54.000 0.235 0.000 0.804 776 D CB -0.127 40.784 40.800 0.185 0.000 1.122 776 D HN 0.418 nan 8.370 nan 0.000 0.519 777 Y N 1.738 122.164 120.300 0.210 0.000 2.133 777 Y HA -0.054 4.487 4.550 -0.015 0.000 0.287 777 Y C 1.950 177.951 175.900 0.170 0.000 1.134 777 Y CA 1.870 60.104 58.100 0.223 0.000 1.133 777 Y CB 0.253 38.820 38.460 0.178 0.000 0.987 777 Y HN -0.123 nan 8.280 nan 0.000 0.502 778 E N 0.133 120.398 120.200 0.109 0.000 2.017 778 E HA -0.279 4.061 4.350 -0.016 0.000 0.193 778 E C 2.185 178.748 176.600 -0.062 0.000 0.997 778 E CA 1.529 57.906 56.400 -0.040 0.000 0.804 778 E CB -0.267 29.512 29.700 0.132 0.000 0.757 778 E HN 0.578 nan 8.360 nan 0.000 0.448 779 E N -0.333 119.916 120.200 0.082 0.000 2.209 779 E HA -0.224 4.116 4.350 -0.016 0.000 0.196 779 E C 1.846 178.438 176.600 -0.014 0.000 0.993 779 E CA 0.729 57.192 56.400 0.104 0.000 0.819 779 E CB -0.027 29.819 29.700 0.244 0.000 0.745 779 E HN 0.237 nan 8.360 nan 0.000 0.477 780 Y N 0.497 120.618 120.300 -0.298 0.000 2.184 780 Y HA -0.164 4.376 4.550 -0.016 0.000 0.290 780 Y C 2.131 177.612 175.900 -0.699 0.000 1.129 780 Y CA 1.441 59.058 58.100 -0.804 0.000 1.144 780 Y CB -0.612 37.505 38.460 -0.571 0.000 0.995 780 Y HN 0.022 nan 8.280 nan 0.000 0.513 781 V N -1.044 118.464 119.914 -0.677 0.000 2.515 781 V HA -0.204 3.907 4.120 -0.016 0.000 0.250 781 V C 2.050 177.876 176.094 -0.445 0.000 1.058 781 V CA 2.091 63.988 62.300 -0.672 0.000 1.064 781 V CB -0.767 30.726 31.823 -0.551 0.000 0.675 781 V HN 0.273 nan 8.190 nan 0.000 0.461 782 K N -0.273 119.941 120.400 -0.310 0.000 2.057 782 K HA -0.108 4.202 4.320 -0.016 0.000 0.206 782 K C 2.363 178.862 176.600 -0.168 0.000 1.050 782 K CA 1.616 57.797 56.287 -0.177 0.000 0.935 782 K CB -0.703 31.744 32.500 -0.088 0.000 0.715 782 K HN 0.605 nan 8.250 nan 0.000 0.439 783 C N 1.667 120.833 119.300 -0.224 0.000 2.429 783 C HA -0.095 4.355 4.460 -0.016 0.000 0.277 783 C C 2.631 177.465 174.990 -0.259 0.000 1.262 783 C CA 0.872 59.800 59.018 -0.150 0.000 1.733 783 C CB -0.629 26.993 27.740 -0.196 0.000 2.010 783 C HN 0.419 nan 8.230 nan 0.000 0.483 784 Q N 0.356 119.860 119.800 -0.492 0.000 2.224 784 Q HA -0.146 4.184 4.340 -0.016 0.000 0.203 784 Q C 1.980 177.812 176.000 -0.280 0.000 0.970 784 Q CA 1.458 56.960 55.803 -0.501 0.000 0.865 784 Q CB -0.353 27.885 28.738 -0.833 0.000 0.922 784 Q HN 0.763 nan 8.270 nan 0.000 0.445 785 E N 0.390 120.462 120.200 -0.213 0.000 2.072 785 E HA -0.136 4.204 4.350 -0.016 0.000 0.191 785 E C 2.108 178.680 176.600 -0.046 0.000 0.985 785 E CA 0.623 56.956 56.400 -0.113 0.000 0.801 785 E CB 0.004 29.648 29.700 -0.093 0.000 0.750 785 E HN 0.249 nan 8.360 nan 0.000 0.452 786 R N 0.541 121.035 120.500 -0.010 0.000 2.081 786 R HA -0.126 4.204 4.340 -0.016 0.000 0.235 786 R C 2.752 179.137 176.300 0.142 0.000 1.131 786 R CA 1.475 57.647 56.100 0.120 0.000 0.960 786 R CB -0.663 29.779 30.300 0.238 0.000 0.856 786 R HN 0.201 nan 8.270 nan 0.000 0.436 787 V N -0.848 118.998 119.914 -0.114 0.000 2.295 787 V HA -0.224 3.887 4.120 -0.016 0.000 0.246 787 V C 1.922 178.025 176.094 0.016 0.000 1.049 787 V CA 2.213 64.337 62.300 -0.294 0.000 1.024 787 V CB -0.653 30.760 31.823 -0.683 0.000 0.648 787 V HN 0.165 nan 8.190 nan 0.000 0.447 788 S N 1.528 117.189 115.700 -0.065 0.000 2.370 788 S HA -0.134 4.326 4.470 -0.016 0.000 0.226 788 S C 2.324 176.971 174.600 0.078 0.000 1.033 788 S CA 1.813 59.988 58.200 -0.041 0.000 1.011 788 S CB -0.955 62.195 63.200 -0.084 0.000 0.852 788 S HN 1.069 nan 8.310 nan 0.000 0.457 789 A N 1.769 124.646 122.820 0.094 0.000 1.865 789 A HA -0.059 4.251 4.320 -0.016 0.000 0.217 789 A C 2.138 179.840 177.584 0.196 0.000 1.191 789 A CA 1.427 53.542 52.037 0.129 0.000 0.623 789 A CB -0.890 18.180 19.000 0.116 0.000 0.826 789 A HN 0.461 nan 8.150 nan 0.000 0.444 790 L N -2.124 119.287 121.223 0.313 0.000 2.083 790 L HA -0.170 4.160 4.340 -0.016 0.000 0.209 790 L C 2.482 179.660 176.870 0.513 0.000 1.083 790 L CA 1.849 56.966 54.840 0.461 0.000 0.752 790 L CB -0.386 42.055 42.059 0.636 0.000 0.899 790 L HN 0.593 nan 8.230 nan 0.000 0.433 791 Y N 1.043 121.391 120.300 0.081 0.000 2.274 791 Y HA -0.272 4.269 4.550 -0.015 0.000 0.290 791 Y C 2.421 178.190 175.900 -0.218 0.000 1.145 791 Y CA 1.639 59.411 58.100 -0.546 0.000 1.203 791 Y CB -0.082 37.944 38.460 -0.723 0.000 0.984 791 Y HN 0.082 nan 8.280 nan 0.000 0.533 792 K N -0.152 120.270 120.400 0.037 0.000 2.360 792 K HA -0.157 4.153 4.320 -0.016 0.000 0.201 792 K C 0.414 176.991 176.600 -0.038 0.000 1.046 792 K CA 0.829 57.126 56.287 0.016 0.000 0.945 792 K CB -0.147 32.407 32.500 0.089 0.000 0.750 792 K HN 0.088 nan 8.250 nan 0.000 0.464 793 N N 0.451 119.147 118.700 -0.007 0.000 2.936 793 N HA 0.125 4.855 4.740 -0.016 0.000 0.243 793 N C -2.425 173.079 175.510 -0.009 0.000 1.149 793 N CA -2.085 50.969 53.050 0.007 0.000 0.914 793 N CB 1.172 39.701 38.487 0.070 0.000 1.179 793 N HN -0.197 nan 8.380 nan 0.000 0.502 794 P HA -0.249 nan 4.420 nan 0.000 0.218 794 P C 1.439 178.736 177.300 -0.006 0.000 1.165 794 P CA 1.414 64.429 63.100 -0.142 0.000 0.922 794 P CB 0.269 31.871 31.700 -0.164 0.000 0.794 795 R N -0.240 120.259 120.500 -0.001 0.000 2.105 795 R HA -0.210 4.121 4.340 -0.016 0.000 0.239 795 R C 1.986 178.322 176.300 0.061 0.000 1.135 795 R CA 1.725 57.839 56.100 0.024 0.000 0.967 795 R CB -0.502 29.806 30.300 0.013 0.000 0.861 795 R HN 0.067 nan 8.270 nan 0.000 0.442 796 E N -0.590 119.660 120.200 0.084 0.000 2.152 796 E HA -0.145 4.196 4.350 -0.016 0.000 0.192 796 E C 1.359 178.046 176.600 0.145 0.000 0.983 796 E CA 0.916 57.377 56.400 0.102 0.000 0.818 796 E CB -0.340 29.425 29.700 0.108 0.000 0.758 796 E HN 0.351 nan 8.360 nan 0.000 0.467 797 W N 0.775 122.072 121.300 -0.005 0.000 2.378 797 W HA -0.133 4.517 4.660 -0.017 0.000 0.313 797 W C 2.296 178.821 176.519 0.010 0.000 1.197 797 W CA 2.213 59.572 57.345 0.022 0.000 1.304 797 W CB -0.654 28.794 29.460 -0.019 0.000 1.148 797 W HN -0.005 nan 8.180 nan 0.000 0.494 798 T N 0.143 114.817 114.554 0.200 0.000 2.881 798 T HA -0.186 4.154 4.350 -0.016 0.000 0.270 798 T C 1.749 176.463 174.700 0.025 0.000 1.068 798 T CA 1.392 63.542 62.100 0.083 0.000 1.131 798 T CB -0.224 68.663 68.868 0.033 0.000 0.871 798 T HN 0.151 nan 8.240 nan 0.000 0.479 799 R N 0.324 120.845 120.500 0.035 0.000 2.090 799 R HA 0.162 4.492 4.340 -0.016 0.000 0.228 799 R C 2.464 178.767 176.300 0.004 0.000 1.110 799 R CA 0.960 57.079 56.100 0.032 0.000 0.973 799 R CB -0.286 30.037 30.300 0.039 0.000 0.869 799 R HN 0.377 nan 8.270 nan 0.000 0.440 800 M N 0.547 120.119 119.600 -0.046 0.000 2.288 800 M HA -0.090 4.380 4.480 -0.016 0.000 0.266 800 M C 1.802 178.037 176.300 -0.109 0.000 1.072 800 M CA 1.153 56.395 55.300 -0.096 0.000 1.132 800 M CB 0.303 32.791 32.600 -0.185 0.000 1.386 800 M HN -0.045 nan 8.290 nan 0.000 0.432 801 V N 1.005 120.844 119.914 -0.125 0.000 2.270 801 V HA -0.291 3.819 4.120 -0.016 0.000 0.245 801 V C 2.212 178.298 176.094 -0.014 0.000 1.043 801 V CA 1.891 64.133 62.300 -0.097 0.000 1.014 801 V CB -0.581 31.207 31.823 -0.058 0.000 0.645 801 V HN 0.499 nan 8.190 nan 0.000 0.447 802 I N -0.397 120.184 120.570 0.019 0.000 2.530 802 I HA -0.257 3.904 4.170 -0.016 0.000 0.257 802 I C 2.592 178.770 176.117 0.103 0.000 1.179 802 I CA 1.432 62.790 61.300 0.098 0.000 1.440 802 I CB -0.411 37.695 38.000 0.178 0.000 1.087 802 I HN 0.266 nan 8.210 nan 0.000 0.440 803 R N 0.151 120.688 120.500 0.062 0.000 2.161 803 R HA -0.005 4.326 4.340 -0.016 0.000 0.213 803 R C 1.958 178.308 176.300 0.084 0.000 1.055 803 R CA 0.615 56.753 56.100 0.064 0.000 0.996 803 R CB -0.165 30.159 30.300 0.039 0.000 0.901 803 R HN 0.470 nan 8.270 nan 0.000 0.456 804 N N 0.815 119.557 118.700 0.070 0.000 2.148 804 N HA -0.031 4.699 4.740 -0.016 0.000 0.186 804 N C 1.925 177.505 175.510 0.117 0.000 1.031 804 N CA 1.000 54.116 53.050 0.110 0.000 0.848 804 N CB 0.074 38.575 38.487 0.022 0.000 1.005 804 N HN 0.087 nan 8.380 nan 0.000 0.427 805 I N 1.718 122.337 120.570 0.083 0.000 2.208 805 I HA -0.242 3.919 4.170 -0.016 0.000 0.245 805 I C 2.419 178.589 176.117 0.088 0.000 1.097 805 I CA 1.019 62.370 61.300 0.085 0.000 1.363 805 I CB -0.331 37.711 38.000 0.070 0.000 1.051 805 I HN 0.069 nan 8.210 nan 0.000 0.413 806 A N 0.325 123.199 122.820 0.090 0.000 2.070 806 A HA -0.151 4.159 4.320 -0.016 0.000 0.220 806 A C 2.011 179.636 177.584 0.068 0.000 1.159 806 A CA 2.010 54.091 52.037 0.072 0.000 0.656 806 A CB -0.889 18.160 19.000 0.081 0.000 0.800 806 A HN 0.540 nan 8.150 nan 0.000 0.453 807 T N -3.975 110.636 114.554 0.095 0.000 3.215 807 T HA 0.277 4.618 4.350 -0.016 0.000 0.271 807 T C 1.066 175.857 174.700 0.151 0.000 1.012 807 T CA 0.518 62.675 62.100 0.095 0.000 0.899 807 T CB 0.460 69.383 68.868 0.092 0.000 1.089 807 T HN 0.144 nan 8.240 nan 0.000 0.552 808 S N 1.292 117.095 115.700 0.173 0.000 2.470 808 S HA 0.154 4.614 4.470 -0.016 0.000 0.225 808 S C 2.451 177.149 174.600 0.163 0.000 1.006 808 S CA 0.582 58.945 58.200 0.272 0.000 0.934 808 S CB -0.616 62.714 63.200 0.216 0.000 0.778 808 S HN 0.733 nan 8.310 nan 0.000 0.517 809 G N 2.490 111.327 108.800 0.061 0.000 2.656 809 G HA2 -0.383 3.567 3.960 -0.016 0.000 0.223 809 G HA3 -0.383 3.567 3.960 -0.016 0.000 0.223 809 G C 1.284 176.128 174.900 -0.093 0.000 1.130 809 G CA 1.542 46.643 45.100 0.002 0.000 0.758 809 G HN 0.513 nan 8.290 nan 0.000 0.608 810 K N -0.361 119.872 120.400 -0.278 0.000 2.211 810 K HA 0.001 4.312 4.320 -0.016 0.000 0.203 810 K C 1.188 177.454 176.600 -0.555 0.000 1.050 810 K CA 0.578 56.569 56.287 -0.494 0.000 0.945 810 K CB -0.189 31.855 32.500 -0.759 0.000 0.732 810 K HN 0.354 nan 8.250 nan 0.000 0.451 811 F N 0.995 120.969 119.950 0.040 0.000 2.676 811 F HA 0.159 4.676 4.527 -0.017 0.000 0.300 811 F C 0.734 176.571 175.800 0.062 0.000 1.160 811 F CA -0.236 57.792 58.000 0.047 0.000 1.401 811 F CB -0.045 38.978 39.000 0.038 0.000 1.037 811 F HN -0.152 nan 8.300 nan 0.000 0.522 812 S N -0.155 115.624 115.700 0.131 0.000 2.537 812 S HA 0.193 4.653 4.470 -0.016 0.000 0.275 812 S C 1.392 176.083 174.600 0.152 0.000 1.272 812 S CA -0.233 58.047 58.200 0.133 0.000 1.050 812 S CB 0.858 64.108 63.200 0.083 0.000 0.961 812 S HN 0.316 nan 8.310 nan 0.000 0.496 813 S N 3.285 119.104 115.700 0.199 0.000 2.474 813 S HA -0.080 4.381 4.470 -0.016 0.000 0.235 813 S C 0.935 175.642 174.600 0.179 0.000 0.997 813 S CA 0.808 59.173 58.200 0.276 0.000 0.949 813 S CB -0.450 62.984 63.200 0.389 0.000 0.766 813 S HN 0.784 nan 8.310 nan 0.000 0.517 814 D N 1.884 122.353 120.400 0.115 0.000 2.117 814 D HA -0.086 4.544 4.640 -0.016 0.000 0.197 814 D C 2.058 178.383 176.300 0.041 0.000 0.987 814 D CA 0.863 54.903 54.000 0.066 0.000 0.829 814 D CB -0.305 40.521 40.800 0.044 0.000 0.961 814 D HN 0.261 nan 8.370 nan 0.000 0.460 815 R N 0.701 121.222 120.500 0.036 0.000 2.066 815 R HA -0.078 4.253 4.340 -0.016 0.000 0.232 815 R C 1.820 178.116 176.300 -0.006 0.000 1.131 815 R CA 1.481 57.580 56.100 -0.001 0.000 0.955 815 R CB -0.788 29.495 30.300 -0.028 0.000 0.851 815 R HN 0.162 nan 8.270 nan 0.000 0.432 816 T N 2.536 117.118 114.554 0.047 0.000 2.622 816 T HA -0.141 4.200 4.350 -0.016 0.000 0.266 816 T C 2.009 176.708 174.700 -0.001 0.000 1.047 816 T CA 1.467 63.602 62.100 0.058 0.000 1.159 816 T CB -0.236 68.792 68.868 0.266 0.000 0.863 816 T HN 0.087 nan 8.240 nan 0.000 0.422 817 I N 2.010 122.563 120.570 -0.028 0.000 2.194 817 I HA -0.185 3.976 4.170 -0.016 0.000 0.246 817 I C 2.961 179.044 176.117 -0.056 0.000 1.093 817 I CA 1.291 62.529 61.300 -0.102 0.000 1.355 817 I CB -1.691 36.267 38.000 -0.069 0.000 1.046 817 I HN 0.234 nan 8.210 nan 0.000 0.413 818 A N 0.002 122.806 122.820 -0.027 0.000 1.978 818 A HA -0.241 4.069 4.320 -0.016 0.000 0.220 818 A C 2.241 179.779 177.584 -0.076 0.000 1.170 818 A CA 1.498 53.520 52.037 -0.025 0.000 0.636 818 A CB -0.529 18.462 19.000 -0.015 0.000 0.810 818 A HN 0.559 nan 8.150 nan 0.000 0.448 819 Q N -1.965 117.758 119.800 -0.128 0.000 2.083 819 Q HA -0.140 4.190 4.340 -0.016 0.000 0.198 819 Q C 1.927 177.740 176.000 -0.311 0.000 0.969 819 Q CA 1.480 57.161 55.803 -0.204 0.000 0.838 819 Q CB -0.294 28.298 28.738 -0.244 0.000 0.900 819 Q HN 0.800 nan 8.270 nan 0.000 0.436 820 Y N 0.814 120.806 120.300 -0.514 0.000 2.165 820 Y HA -0.277 4.263 4.550 -0.016 0.000 0.286 820 Y C 2.445 177.767 175.900 -0.963 0.000 1.155 820 Y CA 1.291 58.804 58.100 -0.979 0.000 1.164 820 Y CB -0.526 36.970 38.460 -1.607 0.000 0.978 820 Y HN 0.155 nan 8.280 nan 0.000 0.513 821 A N 0.338 122.971 122.820 -0.312 0.000 1.851 821 A HA -0.226 4.084 4.320 -0.016 0.000 0.216 821 A C 2.284 179.905 177.584 0.062 0.000 1.195 821 A CA 2.096 54.199 52.037 0.109 0.000 0.622 821 A CB -0.620 18.488 19.000 0.179 0.000 0.831 821 A HN 0.419 nan 8.150 nan 0.000 0.444 822 R N -0.624 119.868 120.500 -0.013 0.000 2.090 822 R HA -0.044 4.287 4.340 -0.016 0.000 0.228 822 R C 1.996 178.282 176.300 -0.024 0.000 1.110 822 R CA 1.455 57.552 56.100 -0.005 0.000 0.973 822 R CB -0.211 30.077 30.300 -0.020 0.000 0.869 822 R HN 0.669 nan 8.270 nan 0.000 0.440 823 E N -0.270 119.876 120.200 -0.091 0.000 2.276 823 E HA 0.043 4.383 4.350 -0.016 0.000 0.193 823 E C 1.626 178.181 176.600 -0.076 0.000 0.983 823 E CA 0.656 57.000 56.400 -0.094 0.000 0.861 823 E CB 0.433 30.040 29.700 -0.154 0.000 0.817 823 E HN 0.313 nan 8.360 nan 0.000 0.485 824 I N -1.222 119.276 120.570 -0.120 0.000 3.673 824 I HA 0.007 4.167 4.170 -0.016 0.000 0.281 824 I C 1.577 177.847 176.117 0.255 0.000 1.182 824 I CA -0.117 61.173 61.300 -0.017 0.000 1.391 824 I CB 0.140 38.037 38.000 -0.172 0.000 1.383 824 I HN 0.091 nan 8.210 nan 0.000 0.456 825 W N 1.609 122.999 121.300 0.150 0.000 2.476 825 W HA 0.224 4.874 4.660 -0.016 0.000 0.281 825 W C 1.682 178.235 176.519 0.057 0.000 1.230 825 W CA 1.182 58.589 57.345 0.104 0.000 1.287 825 W CB -1.087 28.416 29.460 0.072 0.000 1.108 825 W HN 0.329 nan 8.180 nan 0.000 0.567 826 G N 0.378 109.328 108.800 0.249 0.000 2.165 826 G HA2 -0.091 3.860 3.960 -0.016 0.000 0.226 826 G HA3 -0.091 3.860 3.960 -0.016 0.000 0.226 826 G C -0.392 174.582 174.900 0.123 0.000 1.035 826 G CA 0.055 45.242 45.100 0.145 0.000 0.744 826 G HN 0.488 nan 8.290 nan 0.000 0.501 827 V N -4.063 115.942 119.914 0.151 0.000 2.789 827 V HA 0.871 4.981 4.120 -0.016 0.000 0.311 827 V C -0.347 175.805 176.094 0.096 0.000 1.073 827 V CA -1.630 60.737 62.300 0.112 0.000 0.921 827 V CB 2.333 34.227 31.823 0.118 0.000 1.009 827 V HN 0.116 nan 8.190 nan 0.000 0.426 828 E N 4.958 125.197 120.200 0.064 0.000 2.081 828 E HA 0.458 4.798 4.350 -0.016 0.000 0.281 828 E C -2.295 174.336 176.600 0.051 0.000 0.986 828 E CA -1.628 54.803 56.400 0.051 0.000 0.796 828 E CB 1.764 31.487 29.700 0.039 0.000 1.085 828 E HN 0.779 nan 8.360 nan 0.000 0.398 829 P HA 0.062 nan 4.420 nan 0.000 0.272 829 P C -0.176 177.146 177.300 0.038 0.000 1.254 829 P CA -0.247 62.884 63.100 0.051 0.000 0.795 829 P CB 1.077 32.807 31.700 0.051 0.000 1.022 830 S N -1.080 114.642 115.700 0.036 0.000 2.705 830 S HA 0.555 5.016 4.470 -0.016 0.000 0.280 830 S C -0.291 174.326 174.600 0.028 0.000 1.174 830 S CA -0.726 57.493 58.200 0.031 0.000 0.823 830 S CB 1.486 64.706 63.200 0.033 0.000 1.162 830 S HN 0.542 nan 8.310 nan 0.000 0.487 831 R N 0.684 121.198 120.500 0.025 0.000 2.534 831 R HA 0.180 4.510 4.340 -0.016 0.000 0.438 831 R C -0.733 175.577 176.300 0.017 0.000 0.913 831 R CA -0.080 56.035 56.100 0.025 0.000 1.130 831 R CB 0.323 30.640 30.300 0.028 0.000 1.611 831 R HN 0.748 nan 8.270 nan 0.000 0.571 832 Q N 1.088 120.894 119.800 0.010 0.000 2.256 832 Q HA 0.349 4.680 4.340 -0.016 0.000 0.254 832 Q C -0.838 175.152 176.000 -0.017 0.000 0.916 832 Q CA -0.813 54.991 55.803 0.001 0.000 0.932 832 Q CB 1.429 30.171 28.738 0.006 0.000 1.207 832 Q HN -0.190 nan 8.270 nan 0.000 0.426 833 R N 1.891 122.378 120.500 -0.023 0.000 2.457 833 R HA 0.104 4.434 4.340 -0.016 0.000 0.335 833 R C -0.296 175.972 176.300 -0.054 0.000 1.003 833 R CA -0.199 55.876 56.100 -0.040 0.000 1.003 833 R CB -0.614 29.662 30.300 -0.040 0.000 0.950 833 R HN 0.549 nan 8.270 nan 0.000 0.428 834 L N 5.805 126.979 121.223 -0.082 0.000 2.467 834 L HA 0.243 4.573 4.340 -0.016 0.000 0.270 834 L C -1.831 174.989 176.870 -0.083 0.000 1.205 834 L CA -1.394 53.373 54.840 -0.121 0.000 0.828 834 L CB 0.247 42.187 42.059 -0.198 0.000 1.101 834 L HN 0.540 nan 8.230 nan 0.000 0.479 835 P HA 0.236 nan 4.420 nan 0.000 0.274 835 P C -1.672 175.609 177.300 -0.033 0.000 1.246 835 P CA -0.559 62.518 63.100 -0.038 0.000 0.795 835 P CB 0.860 32.549 31.700 -0.019 0.000 1.006 836 A N 2.600 125.410 122.820 -0.016 0.000 2.312 836 A HA 0.527 4.837 4.320 -0.016 0.000 0.326 836 A C -1.365 176.222 177.584 0.006 0.000 1.172 836 A CA -1.720 50.315 52.037 -0.003 0.000 0.821 836 A CB 0.307 19.310 19.000 0.005 0.000 1.166 836 A HN 0.388 nan 8.150 nan 0.000 0.493 837 P HA -0.166 nan 4.420 nan 0.000 0.217 837 P C 0.058 177.367 177.300 0.014 0.000 1.150 837 P CA 1.525 64.633 63.100 0.014 0.000 0.832 837 P CB -0.004 31.706 31.700 0.018 0.000 0.787 838 D N -0.586 119.825 120.400 0.018 0.000 4.365 838 D HA -0.266 4.365 4.640 -0.016 0.000 0.211 838 D C 1.320 177.628 176.300 0.014 0.000 1.059 838 D CA 2.242 56.253 54.000 0.019 0.000 2.239 838 D CB -1.371 39.438 40.800 0.016 0.000 1.164 838 D HN 0.408 nan 8.370 nan 0.000 0.406 839 E N 0.601 120.807 120.200 0.010 0.000 2.583 839 E HA 0.025 4.366 4.350 -0.016 0.000 0.204 839 E C 0.432 177.034 176.600 0.003 0.000 0.860 839 E CA -0.333 56.070 56.400 0.005 0.000 1.473 839 E CB 0.744 30.447 29.700 0.006 0.000 1.469 839 E HN -0.036 nan 8.360 nan 0.000 0.788 840 K N 2.274 122.678 120.400 0.005 0.000 2.489 840 K HA 0.028 4.339 4.320 -0.016 0.000 0.278 840 K C -0.474 176.128 176.600 0.004 0.000 1.000 840 K CA 0.251 56.541 56.287 0.005 0.000 1.012 840 K CB 0.359 32.864 32.500 0.007 0.000 0.903 840 K HN 0.303 nan 8.250 nan 0.000 0.485 841 I N 6.305 126.876 120.570 0.001 0.000 2.406 841 I HA 0.337 4.498 4.170 -0.016 0.000 0.290 841 I C -2.158 173.959 176.117 0.001 0.000 0.999 841 I CA -2.164 59.135 61.300 -0.001 0.000 1.124 841 I CB 1.822 39.818 38.000 -0.007 0.000 1.289 841 I HN 0.579 nan 8.210 nan 0.000 0.441 842 P HA 0.000 nan 4.420 nan 0.000 0.216 842 P CA 0.000 63.104 63.100 0.007 0.000 0.800 842 P CB 0.000 31.709 31.700 0.015 0.000 0.726