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 2vse_1_B DATA FIRST_RESID 31 DATA SEQUENCE SPNSPKDNTW IQAASLTWLM DMSSLLYQLI STRIPSFASP NGLHMREQTI DATA SEQUENCE DSNTGQIQID NEHRLLRWDR RPPNDIFLNG FIPRVTNQNL SPVEDTHLLN DATA SEQUENCE YLRTNSPSIF VSTTRARYNN LGLEITPWTP HSANNNIIYR YEIFAPGGID DATA SEQUENCE INASFSRNXX XXPNEDEITF PGGIRPEFIR STYEYHNGEI VRIWINPNFI DATA SEQUENCE NPSTLNDVSG PSNISKVFWH ENHSEGNNMD XXXXXXXXXX NQDFDMFAPN DATA SEQUENCE GEIPNNNLLN NNSLNVIQNS EYQIKNKKDR NIVVTLDSDY GGSPVESYKN DATA SEQUENCE FGFENQKWNI KYDSKKNAYK IYNRETPTLL LSWNSNSSNG EQVIRGYTES DATA SEQUENCE GSNNQYWTIE KNVNGFYKFR NLSDPSKILD LKDGNTLNKT PLVVSSENSS DATA SEQUENCE SSQEWLIEKT NYQTVKDGTY QVSSKLNENK VIEQISTNKV HIFSNSDKEN DATA SEQUENCE QVWNLIYNPI LKAYKIKSLK YPNYSLAWDS NNTRTIVAAT GDYNDQYWLI DATA SEQUENCE ERNEDNTYII RNYENRKIVL DLSNGSTTDG NGLLGFEFHG GINQRWIIKP DATA SEQUENCE FSFNSIQDGI YQFMTVINQD LIADLTTNNY TIATKTNNYS SNQKWTVTYN DATA SEQUENCE DKKRAYKIRN LQHAHLSLAW DSNHSDKIFG ATGDYDDQYW IPILQTDGSF DATA SEQUENCE IFRNYKNPNK IFGTNGQPIN DIPLKAQDVT GQNNQKWYLR HLNSSNNFTG DATA SEQUENCE YFNISSKKNF NKIITMNSNK TQAVIFDNIG INNQSWKLKY NDNKNAYQIH DATA SEQUENCE ILDNFLYFQG GHNIVATMRN VTNDDLRSYW YVEYNFNKDG FIIRNAFDTS DATA SEQUENCE YVLDVFQGNF ANNTPIITYQ NYLNDNQLWN FIPSLG 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 31 S HA 0.000 nan 4.470 nan 0.000 0.327 31 S C 0.000 174.608 174.600 0.014 0.000 1.055 31 S CA 0.000 58.231 58.200 0.052 0.000 1.107 31 S CB 0.000 63.260 63.200 0.100 0.000 0.593 32 P HA 0.528 nan 4.420 nan 0.000 0.275 32 P C 0.037 177.311 177.300 -0.043 0.000 1.227 32 P CA -0.087 63.003 63.100 -0.017 0.000 0.781 32 P CB -0.051 31.645 31.700 -0.007 0.000 0.906 33 N N -1.835 116.814 118.700 -0.085 0.000 2.857 33 N HA -0.218 4.522 4.740 -0.000 0.000 0.242 33 N C 0.175 175.506 175.510 -0.298 0.000 0.983 33 N CA 1.141 54.109 53.050 -0.137 0.000 0.934 33 N CB -1.717 36.722 38.487 -0.081 0.000 1.115 33 N HN 0.631 nan 8.380 nan 0.000 0.593 34 S N 0.118 115.598 115.700 -0.368 0.000 2.612 34 S HA 0.392 4.862 4.470 -0.000 0.000 0.253 34 S C -2.033 172.192 174.600 -0.624 0.000 1.346 34 S CA -0.985 56.745 58.200 -0.783 0.000 0.976 34 S CB 0.342 63.288 63.200 -0.423 0.000 0.949 34 S HN -0.038 nan 8.310 nan 0.000 0.584 35 P HA 0.224 nan 4.420 nan 0.000 0.268 35 P C 0.070 177.251 177.300 -0.200 0.000 1.208 35 P CA -0.366 62.471 63.100 -0.439 0.000 0.777 35 P CB 0.330 31.700 31.700 -0.551 0.000 0.875 36 K N 0.579 120.900 120.400 -0.132 0.000 2.288 36 K HA -0.043 4.277 4.320 -0.000 0.000 0.201 36 K C 0.310 176.903 176.600 -0.011 0.000 1.048 36 K CA 1.160 57.407 56.287 -0.066 0.000 0.956 36 K CB -0.215 32.251 32.500 -0.057 0.000 0.746 36 K HN 0.666 nan 8.250 nan 0.000 0.461 37 D N -2.804 117.615 120.400 0.031 0.000 2.677 37 D HA 0.072 4.712 4.640 -0.000 0.000 0.298 37 D C -0.132 176.280 176.300 0.186 0.000 1.250 37 D CA -0.827 53.222 54.000 0.082 0.000 0.888 37 D CB 0.040 40.874 40.800 0.057 0.000 1.397 37 D HN -0.321 nan 8.370 nan 0.000 0.461 38 N N -1.080 117.703 118.700 0.139 0.000 2.184 38 N HA -0.163 4.577 4.740 -0.000 0.000 0.190 38 N C 1.225 176.813 175.510 0.130 0.000 1.011 38 N CA 2.162 55.280 53.050 0.114 0.000 0.867 38 N CB -0.256 38.256 38.487 0.041 0.000 0.993 38 N HN 0.494 nan 8.380 nan 0.000 0.433 39 T N 0.307 114.960 114.554 0.165 0.000 2.680 39 T HA -0.208 4.142 4.350 -0.000 0.000 0.268 39 T C 1.447 176.231 174.700 0.141 0.000 1.033 39 T CA 1.596 63.768 62.100 0.120 0.000 1.152 39 T CB -0.482 68.447 68.868 0.102 0.000 0.859 39 T HN 0.586 nan 8.240 nan 0.000 0.452 40 W N 2.851 124.140 121.300 -0.018 0.000 2.468 40 W HA 0.078 4.738 4.660 -0.000 0.000 0.262 40 W C 1.168 177.678 176.519 -0.016 0.000 1.241 40 W CA 0.546 57.871 57.345 -0.033 0.000 1.232 40 W CB -0.952 28.494 29.460 -0.024 0.000 1.124 40 W HN 0.450 nan 8.180 nan 0.000 0.597 41 I N -1.847 118.443 120.570 -0.467 0.000 3.966 41 I HA 0.252 4.422 4.170 -0.000 0.000 0.324 41 I C 1.670 177.645 176.117 -0.235 0.000 1.517 41 I CA -0.375 60.640 61.300 -0.476 0.000 1.117 41 I CB -0.248 37.239 38.000 -0.855 0.000 1.190 41 I HN -0.163 nan 8.210 nan 0.000 0.466 42 Q N 1.847 121.570 119.800 -0.128 0.000 2.364 42 Q HA 0.018 4.358 4.340 -0.000 0.000 0.207 42 Q C 2.155 178.129 176.000 -0.044 0.000 0.970 42 Q CA 1.430 57.191 55.803 -0.070 0.000 0.888 42 Q CB 0.205 28.923 28.738 -0.034 0.000 0.951 42 Q HN 0.779 nan 8.270 nan 0.000 0.469 43 A N 0.566 123.330 122.820 -0.094 0.000 2.218 43 A HA 0.332 4.652 4.320 -0.000 0.000 0.209 43 A C 0.956 178.568 177.584 0.047 0.000 1.168 43 A CA 0.196 52.166 52.037 -0.112 0.000 0.804 43 A CB 0.017 18.808 19.000 -0.348 0.000 0.834 43 A HN 0.271 nan 8.150 nan 0.000 0.482 44 A N 0.372 123.172 122.820 -0.034 0.000 2.566 44 A HA 0.275 4.595 4.320 -0.000 0.000 0.245 44 A C 1.547 179.092 177.584 -0.065 0.000 1.056 44 A CA 0.717 52.697 52.037 -0.096 0.000 0.757 44 A CB -0.050 18.804 19.000 -0.243 0.000 0.979 44 A HN 0.596 nan 8.150 nan 0.000 0.508 45 S N 2.294 117.964 115.700 -0.050 0.000 2.382 45 S HA -0.070 4.399 4.470 -0.000 0.000 0.228 45 S C 0.899 175.431 174.600 -0.113 0.000 1.027 45 S CA 0.930 59.108 58.200 -0.038 0.000 0.991 45 S CB -0.549 62.648 63.200 -0.005 0.000 0.823 45 S HN 0.615 nan 8.310 nan 0.000 0.469 46 L N 3.290 124.360 121.223 -0.256 0.000 2.415 46 L HA 0.137 4.477 4.340 -0.000 0.000 0.269 46 L C 1.847 178.268 176.870 -0.749 0.000 1.244 46 L CA 0.019 54.522 54.840 -0.562 0.000 1.113 46 L CB -0.194 41.352 42.059 -0.854 0.000 1.352 46 L HN 0.440 nan 8.230 nan 0.000 0.433 47 T N -2.251 112.075 114.554 -0.380 0.000 2.803 47 T HA -0.209 4.141 4.350 -0.000 0.000 0.269 47 T C 1.590 176.167 174.700 -0.206 0.000 1.052 47 T CA 0.926 62.903 62.100 -0.205 0.000 1.136 47 T CB -0.269 68.590 68.868 -0.015 0.000 0.864 47 T HN 0.739 nan 8.240 nan 0.000 0.467 48 W N 0.894 122.160 121.300 -0.057 0.000 2.421 48 W HA 0.107 4.767 4.660 -0.000 0.000 0.270 48 W C 1.565 178.039 176.519 -0.076 0.000 1.233 48 W CA -0.221 57.078 57.345 -0.077 0.000 1.226 48 W CB -1.157 28.238 29.460 -0.108 0.000 1.121 48 W HN 0.233 nan 8.180 nan 0.000 0.579 49 L N 1.284 122.183 121.223 -0.541 0.000 2.291 49 L HA -0.023 4.317 4.340 -0.000 0.000 0.214 49 L C 2.583 179.306 176.870 -0.246 0.000 1.120 49 L CA 1.412 55.978 54.840 -0.456 0.000 0.799 49 L CB -0.520 41.040 42.059 -0.832 0.000 0.925 49 L HN -0.172 nan 8.230 nan 0.000 0.446 50 M N -0.552 118.921 119.600 -0.212 0.000 2.358 50 M HA -0.163 4.317 4.480 -0.000 0.000 0.264 50 M C 0.558 176.813 176.300 -0.075 0.000 1.064 50 M CA 1.726 56.934 55.300 -0.154 0.000 1.093 50 M CB -0.442 32.097 32.600 -0.102 0.000 1.401 50 M HN 0.385 nan 8.290 nan 0.000 0.440 51 D N -1.155 119.228 120.400 -0.028 0.000 2.388 51 D HA 0.098 4.738 4.640 -0.000 0.000 0.221 51 D C 0.544 176.861 176.300 0.030 0.000 1.133 51 D CA 0.173 54.179 54.000 0.010 0.000 0.831 51 D CB -0.025 40.788 40.800 0.021 0.000 0.962 51 D HN 0.284 nan 8.370 nan 0.000 0.502 52 M N 0.229 119.844 119.600 0.025 0.000 2.785 52 M HA 0.203 4.683 4.480 -0.000 0.000 0.374 52 M C 1.342 177.714 176.300 0.120 0.000 1.221 52 M CA -0.298 55.045 55.300 0.072 0.000 0.912 52 M CB 1.096 33.748 32.600 0.087 0.000 1.355 52 M HN 0.021 nan 8.290 nan 0.000 0.513 53 S N 0.444 116.230 115.700 0.143 0.000 2.359 53 S HA -0.157 4.312 4.470 -0.000 0.000 0.223 53 S C 1.938 176.775 174.600 0.395 0.000 1.039 53 S CA 2.497 60.895 58.200 0.329 0.000 1.042 53 S CB 0.092 63.521 63.200 0.381 0.000 0.915 53 S HN 0.582 nan 8.310 nan 0.000 0.439 54 S N 1.485 117.335 115.700 0.251 0.000 2.359 54 S HA -0.122 4.348 4.470 -0.000 0.000 0.224 54 S C 1.788 176.557 174.600 0.281 0.000 1.035 54 S CA 1.528 59.864 58.200 0.228 0.000 1.018 54 S CB -0.733 62.555 63.200 0.146 0.000 0.876 54 S HN 0.508 nan 8.310 nan 0.000 0.448 55 L N 1.333 122.706 121.223 0.251 0.000 2.017 55 L HA -0.023 4.317 4.340 -0.000 0.000 0.208 55 L C 2.151 179.200 176.870 0.297 0.000 1.073 55 L CA 1.429 56.432 54.840 0.271 0.000 0.745 55 L CB -0.600 41.608 42.059 0.248 0.000 0.894 55 L HN 0.257 nan 8.230 nan 0.000 0.432 56 L N -1.384 120.024 121.223 0.308 0.000 2.042 56 L HA -0.256 4.084 4.340 -0.000 0.000 0.210 56 L C 2.367 179.501 176.870 0.440 0.000 1.076 56 L CA 1.941 56.974 54.840 0.322 0.000 0.749 56 L CB -0.959 41.239 42.059 0.231 0.000 0.893 56 L HN 0.473 nan 8.230 nan 0.000 0.432 57 Y N -0.035 120.517 120.300 0.421 0.000 2.181 57 Y HA -0.312 4.238 4.550 -0.000 0.000 0.288 57 Y C 2.783 178.774 175.900 0.152 0.000 1.146 57 Y CA 2.252 60.496 58.100 0.240 0.000 1.164 57 Y CB -0.222 38.267 38.460 0.048 0.000 0.982 57 Y HN 0.463 nan 8.280 nan 0.000 0.515 58 Q N 0.101 120.047 119.800 0.244 0.000 2.020 58 Q HA -0.204 4.136 4.340 -0.000 0.000 0.202 58 Q C 2.170 178.212 176.000 0.069 0.000 0.982 58 Q CA 2.294 58.183 55.803 0.144 0.000 0.838 58 Q CB -0.350 28.515 28.738 0.213 0.000 0.899 58 Q HN 0.620 nan 8.270 nan 0.000 0.423 59 L N 0.340 121.625 121.223 0.103 0.000 2.042 59 L HA -0.213 4.127 4.340 -0.000 0.000 0.210 59 L C 2.511 179.393 176.870 0.020 0.000 1.076 59 L CA 1.032 55.881 54.840 0.014 0.000 0.749 59 L CB -0.472 41.615 42.059 0.047 0.000 0.893 59 L HN 0.352 nan 8.230 nan 0.000 0.432 60 I N -0.738 119.876 120.570 0.073 0.000 2.179 60 I HA -0.253 3.917 4.170 -0.000 0.000 0.242 60 I C 2.590 178.694 176.117 -0.022 0.000 1.088 60 I CA 1.217 62.577 61.300 0.100 0.000 1.357 60 I CB -0.246 37.872 38.000 0.197 0.000 1.051 60 I HN 0.162 nan 8.210 nan 0.000 0.409 61 S N -0.349 115.231 115.700 -0.200 0.000 2.402 61 S HA -0.183 4.287 4.470 -0.000 0.000 0.229 61 S C 2.061 176.627 174.600 -0.057 0.000 1.021 61 S CA 1.700 59.766 58.200 -0.222 0.000 0.974 61 S CB -0.357 62.592 63.200 -0.418 0.000 0.800 61 S HN 0.444 nan 8.310 nan 0.000 0.484 62 T N 1.872 116.425 114.554 -0.001 0.000 2.803 62 T HA -0.073 4.277 4.350 -0.000 0.000 0.269 62 T C 1.394 176.174 174.700 0.132 0.000 1.052 62 T CA 0.952 63.103 62.100 0.085 0.000 1.136 62 T CB -0.129 68.818 68.868 0.131 0.000 0.864 62 T HN 0.201 nan 8.240 nan 0.000 0.467 63 R N 0.648 121.205 120.500 0.095 0.000 2.426 63 R HA 0.332 4.672 4.340 -0.000 0.000 0.263 63 R C -0.141 176.234 176.300 0.125 0.000 0.961 63 R CA 0.016 56.178 56.100 0.104 0.000 1.086 63 R CB -0.175 30.089 30.300 -0.059 0.000 1.186 63 R HN 0.434 nan 8.270 nan 0.000 0.537 64 I N 3.874 124.489 120.570 0.076 0.000 2.359 64 I HA 0.221 4.391 4.170 -0.000 0.000 0.284 64 I C -2.047 174.041 176.117 -0.048 0.000 1.018 64 I CA -2.253 59.073 61.300 0.043 0.000 1.173 64 I CB 1.772 39.819 38.000 0.079 0.000 1.326 64 I HN -0.271 nan 8.210 nan 0.000 0.462 65 P HA 0.009 nan 4.420 nan 0.000 0.268 65 P C 0.816 177.905 177.300 -0.352 0.000 1.204 65 P CA 0.126 63.098 63.100 -0.213 0.000 0.768 65 P CB 1.257 32.761 31.700 -0.326 0.000 0.842 66 S N 2.925 118.393 115.700 -0.386 0.000 2.380 66 S HA -0.228 4.242 4.470 -0.000 0.000 0.229 66 S C 1.642 176.097 174.600 -0.242 0.000 1.043 66 S CA 1.899 59.849 58.200 -0.416 0.000 1.038 66 S CB -1.020 61.684 63.200 -0.826 0.000 0.872 66 S HN 0.568 nan 8.310 nan 0.000 0.456 67 F N 1.344 121.215 119.950 -0.132 0.000 2.234 67 F HA 0.241 4.768 4.527 -0.000 0.000 0.299 67 F C 2.183 178.006 175.800 0.038 0.000 1.087 67 F CA 0.729 58.730 58.000 0.001 0.000 1.340 67 F CB -0.965 38.090 39.000 0.092 0.000 1.031 67 F HN 0.220 nan 8.300 nan 0.000 0.500 68 A N -0.504 121.891 122.820 -0.709 0.000 2.066 68 A HA 0.053 4.373 4.320 -0.000 0.000 0.218 68 A C 1.454 179.030 177.584 -0.014 0.000 1.157 68 A CA 1.121 52.955 52.037 -0.338 0.000 0.670 68 A CB -0.629 18.122 19.000 -0.415 0.000 0.804 68 A HN 0.380 nan 8.150 nan 0.000 0.453 69 S N -0.984 114.661 115.700 -0.091 0.000 2.356 69 S HA 0.462 4.932 4.470 -0.000 0.000 0.171 69 S C -2.405 172.126 174.600 -0.116 0.000 1.399 69 S CA -0.977 57.152 58.200 -0.118 0.000 1.225 69 S CB 0.793 63.884 63.200 -0.183 0.000 1.271 69 S HN 0.064 nan 8.310 nan 0.000 0.427 70 P HA 0.032 nan 4.420 nan 0.000 0.218 70 P C 0.511 177.765 177.300 -0.077 0.000 1.149 70 P CA 1.143 64.207 63.100 -0.060 0.000 0.817 70 P CB -0.010 31.680 31.700 -0.016 0.000 0.785 71 N N -1.250 117.395 118.700 -0.092 0.000 2.280 71 N HA 0.244 4.984 4.740 -0.000 0.000 0.192 71 N C 0.519 175.965 175.510 -0.106 0.000 1.109 71 N CA 0.167 53.157 53.050 -0.100 0.000 0.855 71 N CB 0.292 38.711 38.487 -0.115 0.000 0.974 71 N HN 0.081 nan 8.380 nan 0.000 0.482 72 G N 1.247 109.980 108.800 -0.113 0.000 2.814 72 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.677 72 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.677 72 G C -0.446 174.365 174.900 -0.148 0.000 1.429 72 G CA -0.887 44.158 45.100 -0.092 0.000 0.868 72 G HN 0.141 nan 8.290 nan 0.000 0.553 73 L N -0.184 120.952 121.223 -0.145 0.000 2.461 73 L HA 0.532 4.871 4.340 -0.000 0.000 0.272 73 L C 0.942 177.759 176.870 -0.089 0.000 1.197 73 L CA -0.187 54.527 54.840 -0.211 0.000 0.836 73 L CB 0.545 42.472 42.059 -0.220 0.000 1.105 73 L HN 0.737 nan 8.230 nan 0.000 0.477 74 H N 3.337 122.278 119.070 -0.215 0.000 2.488 74 H HA 0.463 5.019 4.556 -0.000 0.000 0.322 74 H C -0.880 174.368 175.328 -0.133 0.000 1.078 74 H CA -1.173 54.780 56.048 -0.159 0.000 1.260 74 H CB 0.957 30.636 29.762 -0.139 0.000 1.425 74 H HN 0.481 nan 8.280 nan 0.000 0.471 75 M N 4.142 123.797 119.600 0.092 0.000 2.264 75 M HA 0.275 4.755 4.480 -0.000 0.000 0.352 75 M C 0.327 176.563 176.300 -0.107 0.000 1.173 75 M CA -0.464 54.816 55.300 -0.034 0.000 1.075 75 M CB 1.222 33.816 32.600 -0.009 0.000 1.621 75 M HN 0.620 nan 8.290 nan 0.000 0.457 76 R N 1.705 122.117 120.500 -0.147 0.000 2.504 76 R HA 0.013 4.353 4.340 -0.000 0.000 0.291 76 R C -0.127 176.178 176.300 0.007 0.000 0.974 76 R CA 0.522 56.556 56.100 -0.110 0.000 1.077 76 R CB 0.264 30.543 30.300 -0.035 0.000 0.926 76 R HN 0.602 nan 8.270 nan 0.000 0.407 77 E N 2.169 122.398 120.200 0.048 0.000 2.283 77 E HA 0.040 4.390 4.350 -0.000 0.000 0.267 77 E C -0.078 176.599 176.600 0.128 0.000 1.045 77 E CA -0.614 55.844 56.400 0.096 0.000 0.884 77 E CB 0.993 30.768 29.700 0.125 0.000 1.106 77 E HN 0.386 nan 8.360 nan 0.000 0.408 78 Q N -0.153 119.688 119.800 0.069 0.000 2.494 78 Q HA -0.206 4.134 4.340 -0.000 0.000 0.272 78 Q C 0.892 176.768 176.000 -0.207 0.000 1.145 78 Q CA 1.174 56.981 55.803 0.007 0.000 0.943 78 Q CB -2.524 26.280 28.738 0.110 0.000 1.338 78 Q HN 0.889 nan 8.270 nan 0.000 0.492 79 T N -3.130 111.355 114.554 -0.116 0.000 3.023 79 T HA 0.237 4.587 4.350 -0.000 0.000 0.266 79 T C 0.912 175.529 174.700 -0.139 0.000 1.093 79 T CA 0.639 62.645 62.100 -0.155 0.000 1.129 79 T CB 0.273 69.149 68.868 0.014 0.000 0.899 79 T HN 0.213 nan 8.240 nan 0.000 0.491 80 I N 1.087 121.601 120.570 -0.093 0.000 2.740 80 I HA 0.429 4.599 4.170 -0.000 0.000 0.303 80 I C -0.076 176.004 176.117 -0.061 0.000 1.044 80 I CA -1.095 60.169 61.300 -0.060 0.000 1.064 80 I CB 1.969 39.954 38.000 -0.025 0.000 1.249 80 I HN -0.014 nan 8.210 nan 0.000 0.433 81 D N 1.485 121.856 120.400 -0.047 0.000 2.384 81 D HA 0.243 4.883 4.640 -0.000 0.000 0.244 81 D C -0.080 176.207 176.300 -0.021 0.000 1.251 81 D CA 0.241 54.221 54.000 -0.034 0.000 0.961 81 D CB 1.234 42.017 40.800 -0.029 0.000 1.116 81 D HN 0.419 nan 8.370 nan 0.000 0.484 82 S N 0.703 116.394 115.700 -0.015 0.000 2.855 82 S HA 0.202 4.672 4.470 -0.000 0.000 0.249 82 S C 0.569 175.163 174.600 -0.011 0.000 1.033 82 S CA -0.495 57.699 58.200 -0.011 0.000 1.038 82 S CB -0.044 63.151 63.200 -0.008 0.000 0.960 82 S HN 0.435 nan 8.310 nan 0.000 0.548 83 N N 0.692 119.385 118.700 -0.012 0.000 2.159 83 N HA 0.052 4.792 4.740 -0.000 0.000 0.217 83 N C 0.893 176.396 175.510 -0.012 0.000 1.223 83 N CA 0.771 53.815 53.050 -0.010 0.000 0.896 83 N CB 1.137 39.620 38.487 -0.007 0.000 1.064 83 N HN 0.489 nan 8.380 nan 0.000 0.518 84 T N -5.348 109.197 114.554 -0.014 0.000 3.151 84 T HA 0.234 4.584 4.350 -0.000 0.000 0.257 84 T C 1.343 176.032 174.700 -0.019 0.000 0.872 84 T CA 0.726 62.817 62.100 -0.016 0.000 0.873 84 T CB 0.885 69.743 68.868 -0.017 0.000 1.272 84 T HN 0.071 nan 8.240 nan 0.000 0.543 85 G N 1.749 110.538 108.800 -0.018 0.000 2.205 85 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.261 85 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.261 85 G C 0.088 174.979 174.900 -0.016 0.000 0.980 85 G CA 0.262 45.352 45.100 -0.015 0.000 0.632 85 G HN 0.725 nan 8.290 nan 0.000 0.533 86 Q N -0.035 119.752 119.800 -0.022 0.000 2.394 86 Q HA 0.451 4.791 4.340 -0.000 0.000 0.248 86 Q C 0.743 176.730 176.000 -0.021 0.000 0.992 86 Q CA -0.411 55.377 55.803 -0.025 0.000 0.888 86 Q CB 0.749 29.465 28.738 -0.038 0.000 1.257 86 Q HN 0.355 nan 8.270 nan 0.000 0.462 87 I N 2.360 122.928 120.570 -0.004 0.000 2.668 87 I HA -0.138 4.032 4.170 -0.000 0.000 0.285 87 I C 0.865 176.978 176.117 -0.006 0.000 1.168 87 I CA 0.690 62.000 61.300 0.017 0.000 1.424 87 I CB 0.149 38.205 38.000 0.093 0.000 1.377 87 I HN 0.170 nan 8.210 nan 0.000 0.560 88 Q N 6.852 126.633 119.800 -0.033 0.000 2.296 88 Q HA 0.304 4.644 4.340 -0.000 0.000 0.263 88 Q C -0.551 175.470 176.000 0.036 0.000 1.026 88 Q CA 0.081 55.849 55.803 -0.058 0.000 0.912 88 Q CB 0.975 29.591 28.738 -0.204 0.000 1.198 88 Q HN 0.484 nan 8.270 nan 0.000 0.407 89 I N 4.448 124.996 120.570 -0.037 0.000 2.412 89 I HA 0.135 4.305 4.170 -0.000 0.000 0.279 89 I C -0.609 175.480 176.117 -0.045 0.000 1.063 89 I CA -0.323 60.854 61.300 -0.204 0.000 1.193 89 I CB 0.634 38.326 38.000 -0.513 0.000 1.370 89 I HN 0.530 nan 8.210 nan 0.000 0.479 90 D N 1.852 122.382 120.400 0.217 0.000 2.643 90 D HA 0.198 4.838 4.640 -0.000 0.000 0.283 90 D C 0.073 176.532 176.300 0.266 0.000 1.242 90 D CA -0.875 53.240 54.000 0.193 0.000 0.863 90 D CB 0.486 41.362 40.800 0.127 0.000 1.382 90 D HN 0.160 nan 8.370 nan 0.000 0.444 91 N N -0.257 118.460 118.700 0.029 0.000 2.149 91 N HA -0.212 4.528 4.740 -0.000 0.000 0.188 91 N C 1.221 176.686 175.510 -0.075 0.000 1.019 91 N CA 1.087 54.022 53.050 -0.192 0.000 0.857 91 N CB 0.053 38.039 38.487 -0.835 0.000 0.997 91 N HN 0.603 nan 8.380 nan 0.000 0.426 92 E N 0.210 120.356 120.200 -0.089 0.000 2.209 92 E HA -0.181 4.169 4.350 -0.000 0.000 0.196 92 E C 0.534 176.907 176.600 -0.378 0.000 0.993 92 E CA 1.121 57.380 56.400 -0.235 0.000 0.819 92 E CB 0.157 29.652 29.700 -0.343 0.000 0.745 92 E HN 0.586 nan 8.360 nan 0.000 0.477 93 H N -1.668 117.482 119.070 0.132 0.000 2.784 93 H HA 0.256 4.812 4.556 -0.000 0.000 0.273 93 H C -0.198 175.195 175.328 0.108 0.000 1.112 93 H CA -0.417 55.719 56.048 0.146 0.000 1.162 93 H CB 0.439 30.314 29.762 0.187 0.000 1.586 93 H HN -0.142 nan 8.280 nan 0.000 0.548 94 R N 1.843 122.429 120.500 0.144 0.000 2.449 94 R HA 0.223 4.563 4.340 -0.000 0.000 0.296 94 R C -0.915 175.306 176.300 -0.132 0.000 1.047 94 R CA 0.043 56.043 56.100 -0.167 0.000 1.018 94 R CB 0.156 30.476 30.300 0.033 0.000 0.962 94 R HN 0.199 nan 8.270 nan 0.000 0.428 95 L N 5.410 126.474 121.223 -0.265 0.000 2.319 95 L HA 0.590 4.930 4.340 -0.000 0.000 0.267 95 L C -0.646 176.134 176.870 -0.150 0.000 1.011 95 L CA -1.136 53.635 54.840 -0.115 0.000 0.818 95 L CB 1.785 43.832 42.059 -0.020 0.000 1.316 95 L HN 0.515 nan 8.230 nan 0.000 0.432 96 L N 1.792 122.961 121.223 -0.089 0.000 2.401 96 L HA 0.626 4.966 4.340 -0.000 0.000 0.266 96 L C -0.685 176.125 176.870 -0.101 0.000 0.991 96 L CA -0.567 54.192 54.840 -0.135 0.000 0.818 96 L CB 2.445 44.396 42.059 -0.181 0.000 1.321 96 L HN 0.526 nan 8.230 nan 0.000 0.413 97 R N 1.698 122.130 120.500 -0.112 0.000 2.483 97 R HA 0.353 4.693 4.340 -0.000 0.000 0.303 97 R C -1.873 174.445 176.300 0.030 0.000 0.987 97 R CA -0.543 55.517 56.100 -0.066 0.000 0.881 97 R CB 1.217 31.340 30.300 -0.295 0.000 1.177 97 R HN 0.514 nan 8.270 nan 0.000 0.451 98 W N 3.852 125.266 121.300 0.189 0.000 2.304 98 W HA 0.278 4.938 4.660 -0.000 0.000 0.313 98 W C 0.254 176.933 176.519 0.265 0.000 1.323 98 W CA 0.243 57.731 57.345 0.239 0.000 1.223 98 W CB 0.768 30.357 29.460 0.215 0.000 1.237 98 W HN 0.312 nan 8.180 nan 0.000 0.535 99 D N 1.845 122.591 120.400 0.577 0.000 2.927 99 D HA 0.183 4.823 4.640 -0.000 0.000 0.219 99 D C 0.681 177.300 176.300 0.532 0.000 1.248 99 D CA -0.544 53.759 54.000 0.505 0.000 0.861 99 D CB 1.726 42.836 40.800 0.517 0.000 1.677 99 D HN 0.293 nan 8.370 nan 0.000 0.511 100 R N 1.498 122.241 120.500 0.405 0.000 2.240 100 R HA 0.106 4.446 4.340 -0.000 0.000 0.203 100 R C 0.477 176.991 176.300 0.358 0.000 1.011 100 R CA 0.209 56.532 56.100 0.372 0.000 1.007 100 R CB 0.252 30.700 30.300 0.247 0.000 0.911 100 R HN 0.206 nan 8.270 nan 0.000 0.468 101 R N 1.701 122.363 120.500 0.270 0.000 2.490 101 R HA 0.157 4.497 4.340 -0.000 0.000 0.280 101 R C -2.142 174.087 176.300 -0.118 0.000 1.077 101 R CA -1.448 54.716 56.100 0.106 0.000 1.065 101 R CB 0.375 30.712 30.300 0.062 0.000 1.003 101 R HN -0.002 nan 8.270 nan 0.000 0.470 102 P HA 0.231 nan 4.420 nan 0.000 0.281 102 P C -2.347 174.528 177.300 -0.708 0.000 1.281 102 P CA -1.945 60.653 63.100 -0.836 0.000 0.811 102 P CB 0.704 32.173 31.700 -0.385 0.000 1.154 103 P HA -0.142 nan 4.420 nan 0.000 0.216 103 P C 1.190 178.048 177.300 -0.736 0.000 1.150 103 P CA 1.516 63.843 63.100 -1.287 0.000 0.837 103 P CB -0.285 30.249 31.700 -1.944 0.000 0.786 104 N N -0.746 117.820 118.700 -0.223 0.000 2.258 104 N HA -0.178 4.562 4.740 -0.000 0.000 0.187 104 N C 1.421 176.984 175.510 0.089 0.000 1.012 104 N CA 1.366 54.544 53.050 0.214 0.000 0.870 104 N CB -0.740 37.842 38.487 0.159 0.000 0.977 104 N HN 0.228 nan 8.380 nan 0.000 0.434 105 D N -0.241 120.094 120.400 -0.107 0.000 2.355 105 D HA 0.052 4.692 4.640 -0.000 0.000 0.233 105 D C 1.896 178.062 176.300 -0.223 0.000 0.997 105 D CA 0.229 54.166 54.000 -0.106 0.000 0.920 105 D CB 0.003 40.746 40.800 -0.096 0.000 1.063 105 D HN -0.103 nan 8.370 nan 0.000 0.465 106 I N 0.797 121.128 120.570 -0.400 0.000 2.226 106 I HA -0.183 3.987 4.170 -0.000 0.000 0.245 106 I C 2.150 177.981 176.117 -0.476 0.000 1.100 106 I CA 0.803 61.750 61.300 -0.587 0.000 1.374 106 I CB -1.154 36.259 38.000 -0.979 0.000 1.057 106 I HN 0.060 nan 8.210 nan 0.000 0.413 107 F N 0.447 119.931 119.950 -0.776 0.000 2.365 107 F HA -0.123 4.404 4.527 -0.000 0.000 0.300 107 F C 2.307 177.720 175.800 -0.646 0.000 1.090 107 F CA 0.658 58.089 58.000 -0.949 0.000 1.408 107 F CB -1.029 36.808 39.000 -1.940 0.000 1.060 107 F HN 0.056 nan 8.300 nan 0.000 0.534 108 L N 0.052 121.171 121.223 -0.172 0.000 2.127 108 L HA 0.016 4.356 4.340 -0.000 0.000 0.203 108 L C 1.763 178.639 176.870 0.009 0.000 1.080 108 L CA 1.716 56.612 54.840 0.095 0.000 0.768 108 L CB -0.508 41.686 42.059 0.225 0.000 0.924 108 L HN -0.092 nan 8.230 nan 0.000 0.444 109 N N -0.340 118.315 118.700 -0.075 0.000 2.294 109 N HA 0.227 4.967 4.740 -0.000 0.000 0.186 109 N C 0.964 176.396 175.510 -0.130 0.000 1.107 109 N CA 0.841 53.853 53.050 -0.064 0.000 0.884 109 N CB 0.572 39.033 38.487 -0.045 0.000 1.030 109 N HN 0.421 nan 8.380 nan 0.000 0.482 110 G N 1.362 110.001 108.800 -0.268 0.000 2.645 110 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.239 110 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.239 110 G C -1.004 173.610 174.900 -0.477 0.000 1.331 110 G CA -0.572 44.293 45.100 -0.391 0.000 0.890 110 G HN 0.142 nan 8.290 nan 0.000 0.572 111 F N 0.768 120.658 119.950 -0.099 0.000 2.303 111 F HA 0.564 5.091 4.527 -0.000 0.000 0.368 111 F C 1.062 176.836 175.800 -0.044 0.000 1.105 111 F CA -0.662 57.286 58.000 -0.086 0.000 1.153 111 F CB 0.690 39.633 39.000 -0.096 0.000 1.362 111 F HN 0.351 nan 8.300 nan 0.000 0.511 112 I N 5.404 126.047 120.570 0.122 0.000 2.371 112 I HA 0.268 4.437 4.170 -0.000 0.000 0.290 112 I C -1.994 174.180 176.117 0.095 0.000 1.028 112 I CA -1.997 59.351 61.300 0.080 0.000 1.345 112 I CB 0.785 38.819 38.000 0.056 0.000 1.407 112 I HN 0.269 nan 8.210 nan 0.000 0.501 113 P HA 0.120 nan 4.420 nan 0.000 0.269 113 P C 0.208 177.549 177.300 0.069 0.000 1.217 113 P CA -0.217 62.914 63.100 0.051 0.000 0.783 113 P CB 0.536 32.224 31.700 -0.020 0.000 0.898 114 R N 0.144 120.693 120.500 0.082 0.000 2.189 114 R HA 0.030 4.370 4.340 -0.000 0.000 0.223 114 R C 0.102 176.448 176.300 0.076 0.000 1.092 114 R CA 0.667 56.819 56.100 0.088 0.000 0.989 114 R CB -0.230 30.134 30.300 0.105 0.000 0.876 114 R HN 0.274 nan 8.270 nan 0.000 0.457 115 V N 0.803 120.753 119.914 0.059 0.000 2.417 115 V HA 0.158 4.278 4.120 -0.000 0.000 0.291 115 V C 0.682 176.832 176.094 0.094 0.000 1.024 115 V CA -0.295 62.046 62.300 0.069 0.000 0.861 115 V CB 1.684 33.536 31.823 0.049 0.000 0.985 115 V HN 0.289 nan 8.190 nan 0.000 0.436 116 T N -0.383 114.254 114.554 0.137 0.000 3.144 116 T HA 0.152 4.502 4.350 -0.000 0.000 0.290 116 T C 0.370 175.223 174.700 0.255 0.000 0.966 116 T CA -0.361 61.871 62.100 0.220 0.000 0.907 116 T CB -0.333 68.635 68.868 0.167 0.000 1.152 116 T HN 0.466 nan 8.240 nan 0.000 0.532 117 N N 1.990 120.791 118.700 0.168 0.000 2.483 117 N HA 0.129 4.869 4.740 -0.000 0.000 0.264 117 N C 1.103 176.593 175.510 -0.034 0.000 1.197 117 N CA 0.070 53.160 53.050 0.066 0.000 0.927 117 N CB 0.940 39.482 38.487 0.092 0.000 1.065 117 N HN 0.306 nan 8.380 nan 0.000 0.461 118 Q N 1.524 121.127 119.800 -0.329 0.000 2.297 118 Q HA -0.072 4.268 4.340 -0.000 0.000 0.204 118 Q C -0.150 175.780 176.000 -0.117 0.000 0.962 118 Q CA 0.600 55.966 55.803 -0.728 0.000 0.879 118 Q CB -0.004 28.220 28.738 -0.856 0.000 0.947 118 Q HN 0.568 nan 8.270 nan 0.000 0.462 119 N N 1.165 119.928 118.700 0.106 0.000 2.968 119 N HA 0.099 4.839 4.740 -0.000 0.000 0.271 119 N C -1.099 174.555 175.510 0.241 0.000 1.174 119 N CA 0.044 53.259 53.050 0.274 0.000 1.096 119 N CB -0.103 38.516 38.487 0.220 0.000 1.403 119 N HN 0.081 nan 8.380 nan 0.000 0.522 120 L N 0.751 122.120 121.223 0.244 0.000 2.416 120 L HA 0.184 4.524 4.340 -0.000 0.000 0.272 120 L C 0.770 177.780 176.870 0.234 0.000 1.161 120 L CA -0.191 54.786 54.840 0.228 0.000 0.845 120 L CB 0.818 43.021 42.059 0.240 0.000 1.119 120 L HN 0.336 nan 8.230 nan 0.000 0.464 121 S N 3.436 119.220 115.700 0.140 0.000 2.503 121 S HA 0.537 5.007 4.470 -0.000 0.000 0.301 121 S C -1.873 172.696 174.600 -0.051 0.000 1.087 121 S CA -1.495 56.740 58.200 0.059 0.000 1.042 121 S CB 1.761 64.990 63.200 0.049 0.000 1.043 121 S HN 0.414 nan 8.310 nan 0.000 0.489 122 P HA 0.096 nan 4.420 nan 0.000 0.245 122 P C 1.331 178.526 177.300 -0.175 0.000 1.206 122 P CA 0.185 63.147 63.100 -0.230 0.000 0.781 122 P CB 0.013 31.381 31.700 -0.552 0.000 0.994 123 V N 0.395 120.180 119.914 -0.215 0.000 2.261 123 V HA -0.154 3.966 4.120 -0.000 0.000 0.246 123 V C 2.359 178.302 176.094 -0.252 0.000 1.047 123 V CA 1.968 64.006 62.300 -0.437 0.000 1.015 123 V CB -0.565 30.861 31.823 -0.662 0.000 0.642 123 V HN 0.117 nan 8.190 nan 0.000 0.446 124 E N -1.809 118.340 120.200 -0.084 0.000 2.940 124 E HA 0.027 4.377 4.350 -0.000 0.000 0.203 124 E C 1.839 178.512 176.600 0.121 0.000 0.995 124 E CA 0.340 56.782 56.400 0.071 0.000 1.396 124 E CB -0.410 29.301 29.700 0.018 0.000 1.310 124 E HN 0.385 nan 8.360 nan 0.000 0.613 125 D N 1.088 121.523 120.400 0.059 0.000 2.170 125 D HA -0.156 4.484 4.640 -0.000 0.000 0.193 125 D C 1.639 177.948 176.300 0.014 0.000 1.004 125 D CA 2.382 56.408 54.000 0.043 0.000 0.860 125 D CB -0.232 40.594 40.800 0.044 0.000 0.931 125 D HN 0.321 nan 8.370 nan 0.000 0.448 126 T N -3.032 111.572 114.554 0.083 0.000 3.182 126 T HA 0.022 4.372 4.350 -0.000 0.000 0.277 126 T C 0.309 175.286 174.700 0.462 0.000 1.013 126 T CA -0.577 61.609 62.100 0.143 0.000 0.900 126 T CB -0.179 68.742 68.868 0.088 0.000 1.098 126 T HN -0.038 nan 8.240 nan 0.000 0.543 127 H N 2.144 121.386 119.070 0.288 0.000 3.118 127 H HA 0.385 4.941 4.556 -0.000 0.000 0.266 127 H C 1.012 176.480 175.328 0.232 0.000 1.465 127 H CA -1.671 54.506 56.048 0.216 0.000 1.460 127 H CB 0.166 30.005 29.762 0.128 0.000 1.661 127 H HN 0.217 nan 8.280 nan 0.000 0.516 128 L N 4.373 125.758 121.223 0.270 0.000 1.989 128 L HA -0.157 4.183 4.340 -0.000 0.000 0.211 128 L C 1.842 178.603 176.870 -0.181 0.000 1.071 128 L CA 1.649 56.355 54.840 -0.222 0.000 0.749 128 L CB -0.579 41.279 42.059 -0.335 0.000 0.890 128 L HN 0.640 nan 8.230 nan 0.000 0.431 129 L N -0.602 120.499 121.223 -0.204 0.000 2.083 129 L HA -0.237 4.103 4.340 -0.000 0.000 0.209 129 L C 2.320 178.994 176.870 -0.328 0.000 1.083 129 L CA 1.590 56.230 54.840 -0.334 0.000 0.752 129 L CB -0.640 41.261 42.059 -0.264 0.000 0.899 129 L HN 0.433 nan 8.230 nan 0.000 0.433 130 N N -0.515 117.835 118.700 -0.583 0.000 2.084 130 N HA -0.287 4.453 4.740 -0.000 0.000 0.190 130 N C 1.885 177.310 175.510 -0.143 0.000 1.030 130 N CA 1.362 54.142 53.050 -0.450 0.000 0.849 130 N CB -0.254 37.820 38.487 -0.687 0.000 1.012 130 N HN 0.330 nan 8.380 nan 0.000 0.423 131 Y N 0.839 121.033 120.300 -0.176 0.000 2.128 131 Y HA -0.151 4.399 4.550 -0.000 0.000 0.284 131 Y C 1.764 177.635 175.900 -0.049 0.000 1.154 131 Y CA 1.577 59.637 58.100 -0.067 0.000 1.149 131 Y CB -0.356 38.122 38.460 0.030 0.000 0.976 131 Y HN 0.101 nan 8.280 nan 0.000 0.505 132 L N -0.163 120.992 121.223 -0.112 0.000 2.141 132 L HA -0.163 4.177 4.340 -0.000 0.000 0.209 132 L C 2.622 179.468 176.870 -0.040 0.000 1.094 132 L CA 1.347 56.088 54.840 -0.165 0.000 0.763 132 L CB -0.421 41.520 42.059 -0.198 0.000 0.908 132 L HN 0.178 nan 8.230 nan 0.000 0.437 133 R N -1.561 118.913 120.500 -0.044 0.000 2.189 133 R HA 0.031 4.371 4.340 -0.000 0.000 0.203 133 R C 1.539 177.926 176.300 0.146 0.000 1.012 133 R CA 1.007 57.125 56.100 0.030 0.000 1.015 133 R CB 0.279 30.551 30.300 -0.047 0.000 0.938 133 R HN 0.158 nan 8.270 nan 0.000 0.472 134 T N -0.710 113.843 114.554 -0.002 0.000 2.986 134 T HA 0.034 4.384 4.350 -0.000 0.000 0.264 134 T C -0.075 174.356 174.700 -0.449 0.000 0.964 134 T CA -0.180 61.845 62.100 -0.126 0.000 0.895 134 T CB 0.215 69.039 68.868 -0.074 0.000 1.163 134 T HN 0.184 nan 8.240 nan 0.000 0.517 135 N N 2.432 120.791 118.700 -0.569 0.000 2.735 135 N HA -0.153 4.587 4.740 -0.000 0.000 0.248 135 N C -0.172 175.196 175.510 -0.236 0.000 1.083 135 N CA 0.647 53.312 53.050 -0.642 0.000 0.703 135 N CB -1.400 36.416 38.487 -1.118 0.000 1.005 135 N HN 0.545 nan 8.380 nan 0.000 0.550 136 S N -0.574 115.083 115.700 -0.071 0.000 2.576 136 S HA 0.454 4.924 4.470 -0.000 0.000 0.276 136 S C -2.223 172.476 174.600 0.165 0.000 1.339 136 S CA -1.086 57.140 58.200 0.043 0.000 1.039 136 S CB 1.154 64.388 63.200 0.057 0.000 0.902 136 S HN 0.248 nan 8.310 nan 0.000 0.516 137 P HA 0.159 nan 4.420 nan 0.000 0.264 137 P C -0.166 177.224 177.300 0.151 0.000 1.193 137 P CA 0.128 63.311 63.100 0.139 0.000 0.763 137 P CB 0.667 32.421 31.700 0.091 0.000 0.810 138 S N 1.898 117.677 115.700 0.132 0.000 2.727 138 S HA 0.367 4.837 4.470 -0.000 0.000 0.278 138 S C 0.773 175.296 174.600 -0.129 0.000 1.186 138 S CA -0.729 57.493 58.200 0.038 0.000 0.836 138 S CB 0.301 63.608 63.200 0.180 0.000 1.186 138 S HN 0.368 nan 8.310 nan 0.000 0.499 139 I N -1.236 119.079 120.570 -0.424 0.000 3.684 139 I HA 0.447 4.617 4.170 -0.000 0.000 0.304 139 I C -0.786 175.006 176.117 -0.540 0.000 1.278 139 I CA -0.200 60.820 61.300 -0.467 0.000 1.272 139 I CB -0.525 37.161 38.000 -0.523 0.000 1.029 139 I HN 0.266 nan 8.210 nan 0.000 0.458 140 F N 1.293 121.082 119.950 -0.269 0.000 2.385 140 F HA 0.605 5.132 4.527 -0.000 0.000 0.336 140 F C 0.162 175.824 175.800 -0.230 0.000 1.100 140 F CA -0.884 56.877 58.000 -0.399 0.000 1.116 140 F CB 1.453 39.876 39.000 -0.960 0.000 1.166 140 F HN -0.326 nan 8.300 nan 0.000 0.511 141 V N 2.216 122.215 119.914 0.142 0.000 2.525 141 V HA 0.371 4.491 4.120 -0.000 0.000 0.299 141 V C -0.528 175.698 176.094 0.219 0.000 1.034 141 V CA -0.766 61.633 62.300 0.164 0.000 0.863 141 V CB 1.841 33.724 31.823 0.101 0.000 0.999 141 V HN 0.812 nan 8.190 nan 0.000 0.423 142 S N 3.059 118.886 115.700 0.211 0.000 2.585 142 S HA 0.805 5.275 4.470 -0.000 0.000 0.277 142 S C 0.193 174.820 174.600 0.045 0.000 1.241 142 S CA -0.504 57.796 58.200 0.166 0.000 1.041 142 S CB 1.744 65.035 63.200 0.152 0.000 0.987 142 S HN 0.991 nan 8.310 nan 0.000 0.512 143 T N -1.183 113.417 114.554 0.076 0.000 2.887 143 T HA 0.711 5.061 4.350 -0.000 0.000 0.292 143 T C -0.606 174.096 174.700 0.002 0.000 1.087 143 T CA -0.752 61.363 62.100 0.026 0.000 1.009 143 T CB 1.801 70.725 68.868 0.092 0.000 1.203 143 T HN 0.433 nan 8.240 nan 0.000 0.518 144 T N 0.491 115.051 114.554 0.009 0.000 2.841 144 T HA 0.487 4.837 4.350 -0.000 0.000 0.283 144 T C -0.168 174.556 174.700 0.040 0.000 1.000 144 T CA -0.797 61.307 62.100 0.006 0.000 0.977 144 T CB 0.779 69.672 68.868 0.043 0.000 0.979 144 T HN 0.682 nan 8.240 nan 0.000 0.446 145 R N 2.138 122.659 120.500 0.034 0.000 2.640 145 R HA 0.367 4.707 4.340 -0.000 0.000 0.270 145 R C 0.491 176.828 176.300 0.060 0.000 1.024 145 R CA -0.188 55.939 56.100 0.045 0.000 1.085 145 R CB 0.273 30.597 30.300 0.039 0.000 0.963 145 R HN 0.718 nan 8.270 nan 0.000 0.426 146 A N 3.731 126.592 122.820 0.068 0.000 2.371 146 A HA 0.256 4.576 4.320 -0.000 0.000 0.257 146 A C -0.014 177.591 177.584 0.035 0.000 1.089 146 A CA -0.252 51.808 52.037 0.039 0.000 0.794 146 A CB 0.497 19.559 19.000 0.103 0.000 1.029 146 A HN 0.682 nan 8.150 nan 0.000 0.488 147 R N 0.309 120.691 120.500 -0.196 0.000 2.589 147 R HA 0.613 4.953 4.340 -0.000 0.000 0.293 147 R C -1.801 174.232 176.300 -0.445 0.000 0.963 147 R CA -0.288 55.730 56.100 -0.136 0.000 0.905 147 R CB 1.558 31.831 30.300 -0.045 0.000 1.144 147 R HN 0.748 nan 8.270 nan 0.000 0.459 148 Y N 0.219 120.547 120.300 0.047 0.000 2.534 148 Y HA 0.192 4.742 4.550 -0.000 0.000 0.345 148 Y C 0.088 176.011 175.900 0.039 0.000 1.031 148 Y CA -1.204 56.923 58.100 0.046 0.000 1.022 148 Y CB 1.787 40.273 38.460 0.043 0.000 1.292 148 Y HN 0.697 nan 8.280 nan 0.000 0.459 149 N N 0.258 119.069 118.700 0.184 0.000 2.379 149 N HA 0.122 4.862 4.740 -0.000 0.000 0.260 149 N C 0.282 175.861 175.510 0.116 0.000 1.254 149 N CA -0.604 52.517 53.050 0.119 0.000 0.958 149 N CB 0.549 39.086 38.487 0.083 0.000 1.208 149 N HN 0.631 nan 8.380 nan 0.000 0.532 150 N N 0.046 118.793 118.700 0.078 0.000 2.585 150 N HA -0.124 4.616 4.740 -0.000 0.000 0.188 150 N C 0.800 176.343 175.510 0.055 0.000 1.102 150 N CA 0.824 53.910 53.050 0.060 0.000 0.920 150 N CB -0.283 38.231 38.487 0.044 0.000 0.963 150 N HN 0.553 nan 8.380 nan 0.000 0.447 151 L N -0.657 120.606 121.223 0.066 0.000 2.585 151 L HA 0.286 4.626 4.340 -0.000 0.000 0.226 151 L C 1.275 178.187 176.870 0.069 0.000 1.113 151 L CA 0.227 55.102 54.840 0.058 0.000 0.876 151 L CB 0.012 42.105 42.059 0.057 0.000 1.072 151 L HN 0.225 nan 8.230 nan 0.000 0.468 152 G N 0.712 109.571 108.800 0.099 0.000 2.141 152 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.242 152 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.242 152 G C 0.055 175.096 174.900 0.235 0.000 0.982 152 G CA -0.290 44.871 45.100 0.102 0.000 0.662 152 G HN 0.187 nan 8.290 nan 0.000 0.527 153 L N 0.663 122.032 121.223 0.243 0.000 2.312 153 L HA 0.469 4.808 4.340 -0.000 0.000 0.281 153 L C 0.933 177.952 176.870 0.248 0.000 1.070 153 L CA -0.724 54.261 54.840 0.242 0.000 0.805 153 L CB 1.365 43.503 42.059 0.132 0.000 1.174 153 L HN 0.305 nan 8.230 nan 0.000 0.434 154 E N 2.979 123.274 120.200 0.158 0.000 2.384 154 E HA 0.215 4.565 4.350 -0.000 0.000 0.266 154 E C -0.784 175.730 176.600 -0.144 0.000 1.012 154 E CA -0.136 56.118 56.400 -0.243 0.000 0.901 154 E CB 0.763 30.331 29.700 -0.220 0.000 0.967 154 E HN 0.377 nan 8.360 nan 0.000 0.435 155 I N 2.499 122.937 120.570 -0.220 0.000 2.822 155 I HA 0.132 4.302 4.170 -0.000 0.000 0.312 155 I C 0.266 176.348 176.117 -0.058 0.000 1.011 155 I CA -0.922 60.327 61.300 -0.085 0.000 1.105 155 I CB 1.903 39.873 38.000 -0.052 0.000 1.291 155 I HN 0.466 nan 8.210 nan 0.000 0.474 156 T N 5.472 120.026 114.554 0.001 0.000 2.792 156 T HA 0.111 4.461 4.350 -0.000 0.000 0.286 156 T C -2.270 172.460 174.700 0.051 0.000 0.970 156 T CA -0.596 61.527 62.100 0.038 0.000 1.187 156 T CB -0.112 68.773 68.868 0.029 0.000 0.915 156 T HN 0.295 nan 8.240 nan 0.000 0.529 157 P HA 0.210 nan 4.420 nan 0.000 0.293 157 P C -0.538 176.895 177.300 0.220 0.000 1.304 157 P CA -1.074 62.128 63.100 0.170 0.000 0.767 157 P CB 0.509 32.344 31.700 0.225 0.000 1.247 158 W N 0.738 122.093 121.300 0.093 0.000 2.347 158 W HA 0.204 4.864 4.660 -0.000 0.000 0.333 158 W C -0.876 175.670 176.519 0.046 0.000 1.383 158 W CA 1.254 58.623 57.345 0.040 0.000 1.283 158 W CB -0.063 29.413 29.460 0.028 0.000 1.253 158 W HN 0.121 nan 8.180 nan 0.000 0.563 159 T N 9.172 123.256 114.554 -0.784 0.000 2.879 159 T HA 0.272 4.622 4.350 -0.000 0.000 0.290 159 T C -2.509 171.334 174.700 -1.428 0.000 0.993 159 T CA -1.264 60.224 62.100 -1.020 0.000 0.975 159 T CB 1.703 70.189 68.868 -0.636 0.000 0.981 159 T HN 0.191 nan 8.240 nan 0.000 0.439 160 P HA 0.090 nan 4.420 nan 0.000 0.268 160 P C 0.572 177.456 177.300 -0.694 0.000 1.205 160 P CA -0.131 62.363 63.100 -1.009 0.000 0.771 160 P CB 0.668 32.006 31.700 -0.603 0.000 0.858 161 H N 1.103 119.923 119.070 -0.417 0.000 2.456 161 H HA -0.076 4.480 4.556 -0.000 0.000 0.296 161 H C 1.718 176.929 175.328 -0.195 0.000 1.079 161 H CA 2.005 57.886 56.048 -0.278 0.000 1.322 161 H CB -0.599 29.055 29.762 -0.180 0.000 1.388 161 H HN 0.490 nan 8.280 nan 0.000 0.538 162 S N -0.158 115.514 115.700 -0.047 0.000 2.575 162 S HA 0.269 4.739 4.470 -0.000 0.000 0.215 162 S C 2.134 176.670 174.600 -0.107 0.000 0.966 162 S CA 0.238 58.426 58.200 -0.021 0.000 0.911 162 S CB 0.130 63.379 63.200 0.083 0.000 0.780 162 S HN 0.361 nan 8.310 nan 0.000 0.514 163 A N 2.583 125.249 122.820 -0.256 0.000 2.076 163 A HA -0.058 4.262 4.320 -0.000 0.000 0.220 163 A C 1.836 179.277 177.584 -0.238 0.000 1.160 163 A CA 1.450 53.272 52.037 -0.359 0.000 0.653 163 A CB -0.581 17.974 19.000 -0.742 0.000 0.801 163 A HN 0.567 nan 8.150 nan 0.000 0.455 164 N N 0.224 118.827 118.700 -0.163 0.000 2.336 164 N HA 0.040 4.780 4.740 -0.000 0.000 0.189 164 N C -0.532 174.957 175.510 -0.035 0.000 1.113 164 N CA 0.161 53.159 53.050 -0.086 0.000 0.858 164 N CB -0.139 38.303 38.487 -0.075 0.000 0.970 164 N HN 0.617 nan 8.380 nan 0.000 0.471 165 N N 0.906 119.584 118.700 -0.036 0.000 2.419 165 N HA 0.242 4.982 4.740 -0.000 0.000 0.277 165 N C -0.431 175.075 175.510 -0.007 0.000 1.006 165 N CA -0.535 52.507 53.050 -0.014 0.000 0.923 165 N CB 1.060 39.541 38.487 -0.011 0.000 1.140 165 N HN 0.053 nan 8.380 nan 0.000 0.488 166 N N 0.210 118.905 118.700 -0.008 0.000 1.673 166 N HA -0.260 4.480 4.740 -0.000 0.000 0.120 166 N C -0.976 174.502 175.510 -0.052 0.000 0.843 166 N CA 0.776 53.807 53.050 -0.031 0.000 0.859 166 N CB -0.335 38.138 38.487 -0.023 0.000 0.883 166 N HN 0.406 nan 8.380 nan 0.000 0.676 167 I N 1.042 121.559 120.570 -0.089 0.000 2.301 167 I HA 0.465 4.635 4.170 -0.000 0.000 0.292 167 I C -0.206 175.908 176.117 -0.004 0.000 1.046 167 I CA -0.030 61.188 61.300 -0.137 0.000 1.282 167 I CB 0.438 38.310 38.000 -0.213 0.000 1.409 167 I HN 0.288 nan 8.210 nan 0.000 0.484 168 I N 5.963 126.540 120.570 0.011 0.000 2.934 168 I HA 0.497 4.667 4.170 -0.000 0.000 0.306 168 I C -1.484 174.706 176.117 0.123 0.000 1.110 168 I CA -0.618 60.788 61.300 0.177 0.000 1.019 168 I CB 2.328 40.468 38.000 0.234 0.000 1.227 168 I HN 0.335 nan 8.210 nan 0.000 0.434 169 Y N 3.987 124.494 120.300 0.345 0.000 2.524 169 Y HA 0.558 5.108 4.550 -0.000 0.000 0.344 169 Y C -0.301 175.626 175.900 0.044 0.000 1.012 169 Y CA -0.742 57.453 58.100 0.157 0.000 1.068 169 Y CB 1.735 40.115 38.460 -0.133 0.000 1.249 169 Y HN 0.352 nan 8.280 nan 0.000 0.468 170 R N 2.758 123.217 120.500 -0.069 0.000 2.363 170 R HA 0.345 4.685 4.340 -0.000 0.000 0.297 170 R C -1.912 174.114 176.300 -0.457 0.000 1.208 170 R CA -0.529 55.274 56.100 -0.494 0.000 1.121 170 R CB 0.182 30.102 30.300 -0.633 0.000 1.124 170 R HN 0.705 nan 8.270 nan 0.000 0.561 171 Y N 1.593 121.814 120.300 -0.132 0.000 2.377 171 Y HA 0.083 4.633 4.550 -0.000 0.000 0.330 171 Y C 0.662 176.493 175.900 -0.114 0.000 1.108 171 Y CA 0.091 58.189 58.100 -0.005 0.000 1.308 171 Y CB 0.904 39.527 38.460 0.272 0.000 1.216 171 Y HN 0.440 nan 8.280 nan 0.000 0.518 172 E N 4.324 124.538 120.200 0.022 0.000 2.174 172 E HA 0.491 4.841 4.350 -0.000 0.000 0.282 172 E C -1.397 175.171 176.600 -0.054 0.000 0.992 172 E CA -0.379 55.959 56.400 -0.105 0.000 0.803 172 E CB 0.604 30.220 29.700 -0.139 0.000 1.090 172 E HN 0.615 nan 8.360 nan 0.000 0.396 173 I N 4.451 124.902 120.570 -0.197 0.000 2.545 173 I HA 0.337 4.507 4.170 -0.000 0.000 0.292 173 I C -1.152 174.769 176.117 -0.326 0.000 1.040 173 I CA -0.741 60.510 61.300 -0.083 0.000 1.068 173 I CB 1.463 39.455 38.000 -0.013 0.000 1.251 173 I HN 0.480 nan 8.210 nan 0.000 0.424 174 F N 5.049 125.175 119.950 0.293 0.000 2.610 174 F HA 0.734 5.261 4.527 -0.000 0.000 0.355 174 F C 0.156 176.100 175.800 0.241 0.000 1.140 174 F CA -0.473 57.708 58.000 0.301 0.000 1.037 174 F CB 1.667 40.924 39.000 0.429 0.000 1.287 174 F HN 0.415 nan 8.300 nan 0.000 0.457 175 A N 4.237 127.140 122.820 0.139 0.000 2.413 175 A HA 0.930 5.250 4.320 -0.000 0.000 0.307 175 A C -2.856 174.632 177.584 -0.160 0.000 1.087 175 A CA -1.976 49.880 52.037 -0.302 0.000 0.750 175 A CB 1.779 20.471 19.000 -0.514 0.000 1.296 175 A HN 0.313 nan 8.150 nan 0.000 0.423 176 P HA 0.400 nan 4.420 nan 0.000 0.272 176 P C 0.878 178.214 177.300 0.061 0.000 1.223 176 P CA 1.539 64.572 63.100 -0.112 0.000 0.784 176 P CB 0.801 32.401 31.700 -0.166 0.000 0.923 177 G N 1.204 110.052 108.800 0.079 0.000 2.566 177 G HA2 0.200 4.160 3.960 -0.000 0.000 0.280 177 G HA3 0.200 4.160 3.960 -0.000 0.000 0.280 177 G C 0.145 175.008 174.900 -0.061 0.000 1.225 177 G CA 0.553 45.700 45.100 0.078 0.000 0.966 177 G HN 1.302 nan 8.290 nan 0.000 0.560 178 G N -2.196 106.425 108.800 -0.299 0.000 2.675 178 G HA2 0.319 4.279 3.960 -0.000 0.000 0.686 178 G HA3 0.319 4.279 3.960 -0.000 0.000 0.686 178 G C -0.486 174.200 174.900 -0.357 0.000 1.215 178 G CA -0.028 44.516 45.100 -0.927 0.000 0.777 178 G HN 1.562 nan 8.290 nan 0.000 0.638 179 I N 1.121 121.509 120.570 -0.304 0.000 2.331 179 I HA 0.226 4.396 4.170 -0.000 0.000 0.292 179 I C -0.003 176.013 176.117 -0.169 0.000 0.998 179 I CA -0.582 60.645 61.300 -0.122 0.000 1.267 179 I CB 1.636 39.635 38.000 -0.003 0.000 1.386 179 I HN 0.501 nan 8.210 nan 0.000 0.476 180 D N 7.509 127.794 120.400 -0.192 0.000 2.383 180 D HA 0.073 4.713 4.640 -0.000 0.000 0.245 180 D C 1.199 177.423 176.300 -0.126 0.000 1.263 180 D CA -0.082 53.802 54.000 -0.193 0.000 0.936 180 D CB 0.678 41.277 40.800 -0.336 0.000 1.053 180 D HN 0.303 nan 8.370 nan 0.000 0.507 181 I N 3.482 124.017 120.570 -0.057 0.000 2.127 181 I HA -0.287 3.883 4.170 -0.000 0.000 0.241 181 I C 2.064 178.213 176.117 0.053 0.000 1.075 181 I CA 1.046 62.377 61.300 0.051 0.000 1.334 181 I CB -1.147 36.899 38.000 0.077 0.000 1.040 181 I HN 0.445 nan 8.210 nan 0.000 0.405 182 N N 1.366 120.070 118.700 0.007 0.000 2.069 182 N HA -0.156 4.584 4.740 -0.000 0.000 0.191 182 N C 1.715 177.224 175.510 -0.002 0.000 1.031 182 N CA 1.952 55.010 53.050 0.013 0.000 0.852 182 N CB -0.142 38.342 38.487 -0.006 0.000 1.018 182 N HN 0.328 nan 8.380 nan 0.000 0.423 183 A N -1.153 121.652 122.820 -0.025 0.000 2.172 183 A HA 0.044 4.364 4.320 -0.000 0.000 0.216 183 A C 2.175 179.718 177.584 -0.069 0.000 1.154 183 A CA 1.350 53.396 52.037 0.014 0.000 0.701 183 A CB -0.342 18.745 19.000 0.145 0.000 0.789 183 A HN 0.364 nan 8.150 nan 0.000 0.465 184 S N -1.380 114.190 115.700 -0.218 0.000 2.456 184 S HA 0.339 4.809 4.470 -0.000 0.000 0.224 184 S C -0.077 174.079 174.600 -0.740 0.000 1.035 184 S CA 0.296 58.146 58.200 -0.583 0.000 0.940 184 S CB -0.066 62.557 63.200 -0.962 0.000 0.799 184 S HN 0.430 nan 8.310 nan 0.000 0.508 185 F N 0.638 120.569 119.950 -0.031 0.000 2.603 185 F HA 0.481 5.007 4.527 -0.000 0.000 0.317 185 F C -0.005 175.784 175.800 -0.018 0.000 1.066 185 F CA -1.217 56.760 58.000 -0.038 0.000 0.941 185 F CB 1.699 40.668 39.000 -0.052 0.000 1.291 185 F HN -0.315 nan 8.300 nan 0.000 0.472 186 S N 2.379 118.211 115.700 0.221 0.000 2.080 186 S HA 0.360 4.830 4.470 -0.000 0.000 0.162 186 S C -0.742 173.935 174.600 0.127 0.000 1.618 186 S CA -0.791 57.495 58.200 0.142 0.000 1.200 186 S CB -0.089 63.187 63.200 0.127 0.000 1.135 186 S HN 0.558 nan 8.310 nan 0.000 0.455 187 R N 1.545 122.098 120.500 0.088 0.000 2.476 187 R HA 0.444 4.784 4.340 -0.000 0.000 0.305 187 R C -1.016 175.290 176.300 0.010 0.000 0.965 187 R CA -0.512 55.609 56.100 0.035 0.000 0.867 187 R CB 0.637 30.920 30.300 -0.027 0.000 1.176 187 R HN 0.241 nan 8.270 nan 0.000 0.447 194 N N 2.070 120.664 118.700 -0.177 0.000 2.521 194 N HA 0.050 4.790 4.740 -0.000 0.000 0.236 194 N C 1.155 176.567 175.510 -0.163 0.000 1.067 194 N CA -0.236 52.661 53.050 -0.255 0.000 0.939 194 N CB 0.904 38.960 38.487 -0.718 0.000 1.201 194 N HN 0.523 nan 8.380 nan 0.000 0.511 195 E N 0.871 121.034 120.200 -0.061 0.000 2.463 195 E HA -0.129 4.221 4.350 -0.000 0.000 0.201 195 E C -0.410 176.167 176.600 -0.038 0.000 1.045 195 E CA 0.832 57.213 56.400 -0.031 0.000 0.872 195 E CB 0.156 29.858 29.700 0.004 0.000 0.797 195 E HN 0.380 nan 8.360 nan 0.000 0.538 196 D N 1.203 121.567 120.400 -0.061 0.000 2.363 196 D HA 0.023 4.663 4.640 -0.000 0.000 0.214 196 D C -0.303 175.942 176.300 -0.092 0.000 1.093 196 D CA 0.058 54.030 54.000 -0.047 0.000 0.837 196 D CB 0.203 41.009 40.800 0.010 0.000 0.948 196 D HN 0.325 nan 8.370 nan 0.000 0.507 197 E N 1.384 121.494 120.200 -0.150 0.000 2.324 197 E HA 0.107 4.457 4.350 -0.000 0.000 0.271 197 E C -0.486 176.068 176.600 -0.077 0.000 1.028 197 E CA -0.103 56.205 56.400 -0.154 0.000 0.890 197 E CB 0.521 30.096 29.700 -0.209 0.000 1.004 197 E HN -0.089 nan 8.360 nan 0.000 0.431 198 I N 4.262 124.809 120.570 -0.039 0.000 2.436 198 I HA 0.237 4.407 4.170 -0.000 0.000 0.289 198 I C -0.204 175.904 176.117 -0.014 0.000 1.010 198 I CA -0.593 60.674 61.300 -0.055 0.000 1.098 198 I CB 1.516 39.500 38.000 -0.026 0.000 1.266 198 I HN 0.460 nan 8.210 nan 0.000 0.434 199 T N 6.398 120.879 114.554 -0.122 0.000 2.829 199 T HA 0.594 4.944 4.350 -0.000 0.000 0.280 199 T C -0.592 174.020 174.700 -0.146 0.000 0.999 199 T CA -0.259 61.841 62.100 -0.000 0.000 0.983 199 T CB 0.983 69.863 68.868 0.020 0.000 0.968 199 T HN 0.139 nan 8.240 nan 0.000 0.446 200 F N 4.013 124.019 119.950 0.094 0.000 2.347 200 F HA 0.371 4.898 4.527 -0.000 0.000 0.366 200 F C -2.229 173.602 175.800 0.051 0.000 1.107 200 F CA -2.595 55.441 58.000 0.059 0.000 1.058 200 F CB 1.516 40.519 39.000 0.005 0.000 1.236 200 F HN 0.275 nan 8.300 nan 0.000 0.456 201 P HA 0.197 nan 4.420 nan 0.000 0.271 201 P C 0.715 177.890 177.300 -0.208 0.000 1.233 201 P CA 0.505 63.546 63.100 -0.098 0.000 0.764 201 P CB 0.864 32.484 31.700 -0.134 0.000 0.825 202 G N 2.452 111.098 108.800 -0.257 0.000 2.157 202 G HA2 0.039 3.999 3.960 -0.000 0.000 0.248 202 G HA3 0.039 3.999 3.960 -0.000 0.000 0.248 202 G C 0.572 175.394 174.900 -0.129 0.000 0.979 202 G CA 0.237 45.175 45.100 -0.268 0.000 0.650 202 G HN 0.972 nan 8.290 nan 0.000 0.529 203 G N -0.923 107.865 108.800 -0.019 0.000 2.642 203 G HA2 0.071 4.031 3.960 -0.000 0.000 0.231 203 G HA3 0.071 4.031 3.960 -0.000 0.000 0.231 203 G C -0.250 174.677 174.900 0.045 0.000 1.338 203 G CA 0.039 45.172 45.100 0.055 0.000 0.883 203 G HN 1.454 nan 8.290 nan 0.000 0.570 204 I N 0.387 121.000 120.570 0.072 0.000 2.534 204 I HA 0.404 4.574 4.170 -0.000 0.000 0.288 204 I C 0.703 176.892 176.117 0.121 0.000 1.077 204 I CA -0.849 60.484 61.300 0.054 0.000 1.051 204 I CB 1.978 39.968 38.000 -0.017 0.000 1.234 204 I HN 0.520 nan 8.210 nan 0.000 0.425 205 R N 6.155 126.780 120.500 0.209 0.000 2.694 205 R HA 0.170 4.510 4.340 -0.000 0.000 0.268 205 R C -1.393 174.895 176.300 -0.021 0.000 1.061 205 R CA -1.237 54.912 56.100 0.083 0.000 1.133 205 R CB 0.551 30.893 30.300 0.069 0.000 1.020 205 R HN 0.385 nan 8.270 nan 0.000 0.475 206 P HA -0.184 nan 4.420 nan 0.000 0.221 206 P C 0.604 177.786 177.300 -0.197 0.000 1.150 206 P CA 1.268 64.253 63.100 -0.193 0.000 0.800 206 P CB 0.100 31.690 31.700 -0.184 0.000 0.787 207 E N -0.353 119.663 120.200 -0.306 0.000 2.472 207 E HA -0.126 4.224 4.350 -0.000 0.000 0.200 207 E C 0.825 177.197 176.600 -0.379 0.000 1.046 207 E CA 0.771 56.934 56.400 -0.395 0.000 0.871 207 E CB -0.870 28.493 29.700 -0.562 0.000 0.806 207 E HN 0.261 nan 8.360 nan 0.000 0.533 208 F N 0.943 120.938 119.950 0.076 0.000 2.727 208 F HA 0.334 4.861 4.527 -0.000 0.000 0.302 208 F C 0.927 176.953 175.800 0.375 0.000 1.097 208 F CA -0.306 57.823 58.000 0.215 0.000 1.330 208 F CB 0.184 39.227 39.000 0.073 0.000 1.084 208 F HN -0.139 nan 8.300 nan 0.000 0.578 209 I N 0.531 121.306 120.570 0.341 0.000 2.306 209 I HA 0.254 4.424 4.170 -0.000 0.000 0.288 209 I C 1.434 177.574 176.117 0.040 0.000 1.036 209 I CA -0.239 61.172 61.300 0.186 0.000 1.221 209 I CB 1.322 39.350 38.000 0.048 0.000 1.385 209 I HN -0.007 nan 8.210 nan 0.000 0.472 210 R N 4.010 124.409 120.500 -0.168 0.000 2.093 210 R HA 0.017 4.357 4.340 -0.000 0.000 0.224 210 R C 0.525 176.718 176.300 -0.178 0.000 1.101 210 R CA 1.136 56.901 56.100 -0.559 0.000 0.979 210 R CB 0.381 30.032 30.300 -1.082 0.000 0.877 210 R HN 0.812 nan 8.270 nan 0.000 0.441 211 S N -2.411 113.307 115.700 0.030 0.000 2.636 211 S HA 0.402 4.872 4.470 -0.000 0.000 0.268 211 S C -0.874 173.879 174.600 0.255 0.000 1.159 211 S CA -0.775 57.556 58.200 0.219 0.000 0.815 211 S CB 2.091 65.356 63.200 0.108 0.000 1.130 211 S HN 0.003 nan 8.310 nan 0.000 0.471 212 T N 0.390 115.072 114.554 0.214 0.000 2.889 212 T HA 0.606 4.956 4.350 -0.000 0.000 0.315 212 T C -2.247 172.541 174.700 0.147 0.000 1.291 212 T CA -0.424 61.625 62.100 -0.085 0.000 1.028 212 T CB 0.854 69.346 68.868 -0.626 0.000 1.235 212 T HN 0.521 nan 8.240 nan 0.000 0.491 213 Y N 1.951 122.208 120.300 -0.072 0.000 2.323 213 Y HA 0.504 5.054 4.550 -0.000 0.000 0.331 213 Y C 0.648 176.497 175.900 -0.086 0.000 1.092 213 Y CA -1.649 56.376 58.100 -0.125 0.000 1.150 213 Y CB 1.079 39.375 38.460 -0.273 0.000 1.200 213 Y HN 0.624 nan 8.280 nan 0.000 0.472 214 E N 3.016 123.247 120.200 0.052 0.000 2.115 214 E HA 0.295 4.645 4.350 -0.000 0.000 0.282 214 E C -1.774 174.705 176.600 -0.203 0.000 0.987 214 E CA -0.422 55.929 56.400 -0.083 0.000 0.797 214 E CB 0.467 30.297 29.700 0.217 0.000 1.086 214 E HN 0.528 nan 8.360 nan 0.000 0.397 215 Y N 2.834 123.097 120.300 -0.062 0.000 2.331 215 Y HA 0.254 4.804 4.550 -0.000 0.000 0.338 215 Y C -0.078 175.900 175.900 0.131 0.000 0.992 215 Y CA -0.567 57.572 58.100 0.065 0.000 1.121 215 Y CB 1.320 39.842 38.460 0.104 0.000 1.184 215 Y HN 0.489 nan 8.280 nan 0.000 0.469 216 H N 4.386 123.510 119.070 0.090 0.000 2.595 216 H HA 0.191 4.747 4.556 -0.000 0.000 0.313 216 H C -0.417 174.960 175.328 0.081 0.000 1.023 216 H CA -0.732 55.352 56.048 0.061 0.000 1.218 216 H CB 0.790 30.572 29.762 0.032 0.000 1.403 216 H HN 0.796 nan 8.280 nan 0.000 0.477 217 N N 3.095 121.871 118.700 0.126 0.000 2.705 217 N HA -0.228 4.512 4.740 -0.000 0.000 0.255 217 N C 1.199 176.770 175.510 0.101 0.000 1.008 217 N CA 1.062 54.163 53.050 0.085 0.000 0.742 217 N CB -0.805 37.722 38.487 0.067 0.000 0.906 217 N HN 1.177 nan 8.380 nan 0.000 0.541 218 G N -0.807 108.072 108.800 0.131 0.000 2.336 218 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.233 218 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.233 218 G C -0.151 174.924 174.900 0.290 0.000 1.053 218 G CA 0.523 45.698 45.100 0.124 0.000 0.625 218 G HN 0.499 nan 8.290 nan 0.000 0.511 219 E N 1.002 121.355 120.200 0.255 0.000 2.277 219 E HA 0.551 4.901 4.350 -0.000 0.000 0.274 219 E C 0.330 177.005 176.600 0.126 0.000 1.022 219 E CA -0.662 55.850 56.400 0.186 0.000 0.853 219 E CB 1.551 31.301 29.700 0.083 0.000 1.086 219 E HN 0.500 nan 8.360 nan 0.000 0.397 220 I N 1.911 122.429 120.570 -0.086 0.000 2.371 220 I HA -0.016 4.154 4.170 -0.000 0.000 0.290 220 I C 1.476 177.428 176.117 -0.276 0.000 1.028 220 I CA -0.366 60.682 61.300 -0.421 0.000 1.345 220 I CB 0.756 38.389 38.000 -0.612 0.000 1.407 220 I HN 0.370 nan 8.210 nan 0.000 0.501 221 V N 2.590 122.342 119.914 -0.270 0.000 3.431 221 V HA 0.370 4.490 4.120 -0.000 0.000 0.253 221 V C 0.740 176.685 176.094 -0.249 0.000 1.184 221 V CA 0.214 62.369 62.300 -0.242 0.000 1.104 221 V CB -0.066 31.564 31.823 -0.322 0.000 0.799 221 V HN 0.866 nan 8.190 nan 0.000 0.462 222 R N -0.475 119.868 120.500 -0.262 0.000 2.629 222 R HA 0.652 4.992 4.340 -0.000 0.000 0.266 222 R C -1.995 174.147 176.300 -0.263 0.000 1.051 222 R CA -0.737 55.176 56.100 -0.313 0.000 0.895 222 R CB 2.286 32.345 30.300 -0.402 0.000 1.246 222 R HN 0.321 nan 8.270 nan 0.000 0.459 223 I N 2.829 123.226 120.570 -0.288 0.000 2.354 223 I HA 0.314 4.484 4.170 -0.000 0.000 0.286 223 I C -0.879 175.161 176.117 -0.129 0.000 1.007 223 I CA -0.493 60.759 61.300 -0.080 0.000 1.167 223 I CB 1.073 39.045 38.000 -0.046 0.000 1.320 223 I HN 0.417 nan 8.210 nan 0.000 0.458 224 W N 7.232 128.579 121.300 0.078 0.000 2.351 224 W HA 0.577 5.237 4.660 -0.000 0.000 0.311 224 W C -0.182 176.471 176.519 0.223 0.000 1.168 224 W CA -0.272 57.150 57.345 0.128 0.000 1.200 224 W CB 0.918 30.425 29.460 0.079 0.000 1.221 224 W HN 0.212 nan 8.180 nan 0.000 0.519 225 I N 3.396 124.218 120.570 0.421 0.000 2.474 225 I HA 0.191 4.361 4.170 -0.000 0.000 0.294 225 I C -0.297 176.052 176.117 0.388 0.000 1.005 225 I CA -1.176 60.290 61.300 0.278 0.000 1.113 225 I CB 1.612 39.605 38.000 -0.010 0.000 1.289 225 I HN 0.300 nan 8.210 nan 0.000 0.436 226 N N 7.506 126.234 118.700 0.047 0.000 2.462 226 N HA 0.318 5.058 4.740 -0.000 0.000 0.242 226 N C -2.014 173.566 175.510 0.117 0.000 1.010 226 N CA -2.350 50.575 53.050 -0.209 0.000 0.939 226 N CB 1.486 39.378 38.487 -0.992 0.000 1.127 226 N HN 0.214 nan 8.380 nan 0.000 0.509 227 P HA -0.091 nan 4.420 nan 0.000 0.219 227 P C 0.481 177.839 177.300 0.097 0.000 1.146 227 P CA 1.058 64.264 63.100 0.176 0.000 0.808 227 P CB 0.268 32.055 31.700 0.145 0.000 0.779 228 N N -1.634 117.113 118.700 0.078 0.000 2.383 228 N HA -0.024 4.716 4.740 -0.000 0.000 0.192 228 N C -0.016 175.484 175.510 -0.015 0.000 1.141 228 N CA -0.376 52.684 53.050 0.017 0.000 0.851 228 N CB -0.724 37.777 38.487 0.023 0.000 0.976 228 N HN -0.115 nan 8.380 nan 0.000 0.465 229 F N 0.639 120.522 119.950 -0.112 0.000 2.602 229 F HA 0.015 4.542 4.527 -0.000 0.000 0.367 229 F C 1.530 177.278 175.800 -0.086 0.000 1.126 229 F CA -0.202 57.739 58.000 -0.099 0.000 1.321 229 F CB 0.393 39.376 39.000 -0.029 0.000 1.094 229 F HN 0.039 nan 8.300 nan 0.000 0.594 230 I N 3.195 123.146 120.570 -1.031 0.000 2.423 230 I HA -0.241 3.929 4.170 -0.000 0.000 0.254 230 I C 0.715 176.498 176.117 -0.556 0.000 1.151 230 I CA 1.281 62.139 61.300 -0.735 0.000 1.421 230 I CB -0.597 37.011 38.000 -0.653 0.000 1.079 230 I HN 0.573 nan 8.210 nan 0.000 0.431 231 N N 0.706 118.998 118.700 -0.681 0.000 2.800 231 N HA 0.245 4.985 4.740 -0.000 0.000 0.240 231 N C -2.086 173.466 175.510 0.070 0.000 1.096 231 N CA -1.964 50.968 53.050 -0.198 0.000 0.877 231 N CB 1.095 39.509 38.487 -0.122 0.000 1.138 231 N HN 0.064 nan 8.380 nan 0.000 0.509 232 P HA -0.044 nan 4.420 nan 0.000 0.239 232 P C 0.711 178.100 177.300 0.149 0.000 1.184 232 P CA 0.654 63.822 63.100 0.114 0.000 0.760 232 P CB 0.227 31.947 31.700 0.034 0.000 0.884 233 S N -1.466 114.310 115.700 0.127 0.000 2.540 233 S HA 0.044 4.514 4.470 -0.000 0.000 0.218 233 S C 1.298 175.986 174.600 0.147 0.000 0.977 233 S CA 0.405 58.689 58.200 0.139 0.000 0.918 233 S CB -1.012 62.243 63.200 0.093 0.000 0.806 233 S HN 0.192 nan 8.310 nan 0.000 0.496 234 T N -0.690 113.960 114.554 0.160 0.000 3.129 234 T HA 0.404 4.754 4.350 -0.000 0.000 0.267 234 T C 1.300 176.092 174.700 0.154 0.000 1.018 234 T CA -0.322 61.856 62.100 0.130 0.000 0.903 234 T CB -0.438 68.475 68.868 0.075 0.000 1.067 234 T HN 0.330 nan 8.240 nan 0.000 0.549 235 L N 0.842 122.200 121.223 0.224 0.000 2.362 235 L HA 0.100 4.440 4.340 -0.000 0.000 0.219 235 L C 2.096 179.104 176.870 0.231 0.000 1.134 235 L CA 0.671 55.661 54.840 0.250 0.000 0.807 235 L CB -0.502 41.797 42.059 0.400 0.000 0.927 235 L HN 0.324 nan 8.230 nan 0.000 0.447 236 N N -0.290 118.541 118.700 0.219 0.000 2.336 236 N HA -0.053 4.687 4.740 -0.000 0.000 0.189 236 N C 0.521 176.109 175.510 0.130 0.000 1.113 236 N CA 0.490 53.643 53.050 0.173 0.000 0.858 236 N CB 0.257 38.826 38.487 0.137 0.000 0.970 236 N HN 0.328 nan 8.380 nan 0.000 0.471 237 D N 0.261 120.730 120.400 0.115 0.000 2.339 237 D HA 0.038 4.678 4.640 -0.000 0.000 0.217 237 D C 0.430 176.783 176.300 0.089 0.000 1.050 237 D CA 0.080 54.133 54.000 0.087 0.000 0.856 237 D CB 0.679 41.513 40.800 0.056 0.000 0.922 237 D HN -0.083 nan 8.370 nan 0.000 0.518 238 V N 1.985 121.952 119.914 0.088 0.000 2.540 238 V HA 0.089 4.209 4.120 -0.000 0.000 0.297 238 V C 0.732 176.887 176.094 0.101 0.000 1.024 238 V CA 0.160 62.518 62.300 0.096 0.000 1.105 238 V CB 0.568 32.436 31.823 0.075 0.000 0.938 238 V HN 0.135 nan 8.190 nan 0.000 0.482 239 S N 3.075 118.856 115.700 0.135 0.000 2.634 239 S HA 1.015 5.485 4.470 -0.000 0.000 0.296 239 S C -0.108 174.592 174.600 0.167 0.000 1.104 239 S CA -0.188 58.085 58.200 0.122 0.000 0.920 239 S CB 2.430 65.698 63.200 0.113 0.000 1.111 239 S HN 1.243 nan 8.310 nan 0.000 0.493 240 G N -0.351 108.493 108.800 0.073 0.000 2.489 240 G HA2 0.635 4.595 3.960 -0.000 0.000 0.305 240 G HA3 0.635 4.595 3.960 -0.000 0.000 0.305 240 G C -3.677 171.177 174.900 -0.077 0.000 1.311 240 G CA -0.978 44.104 45.100 -0.031 0.000 0.813 240 G HN 0.579 nan 8.290 nan 0.000 0.480 241 P HA 0.271 nan 4.420 nan 0.000 0.271 241 P C 0.396 177.643 177.300 -0.088 0.000 1.218 241 P CA -0.181 62.858 63.100 -0.101 0.000 0.780 241 P CB 0.823 32.447 31.700 -0.127 0.000 0.901 242 S N 1.323 116.994 115.700 -0.049 0.000 2.566 242 S HA -0.006 4.464 4.470 -0.000 0.000 0.280 242 S C 0.679 175.250 174.600 -0.049 0.000 1.343 242 S CA -0.112 58.067 58.200 -0.036 0.000 1.036 242 S CB -0.764 62.428 63.200 -0.014 0.000 0.866 242 S HN 0.671 nan 8.310 nan 0.000 0.526 243 N N -0.787 117.889 118.700 -0.039 0.000 2.725 243 N HA -0.172 4.568 4.740 -0.000 0.000 0.249 243 N C -1.259 174.208 175.510 -0.071 0.000 1.103 243 N CA 0.678 53.702 53.050 -0.042 0.000 0.707 243 N CB -1.252 37.217 38.487 -0.030 0.000 1.043 243 N HN 0.674 nan 8.380 nan 0.000 0.553 244 I N 0.639 121.150 120.570 -0.098 0.000 2.418 244 I HA 0.197 4.367 4.170 -0.000 0.000 0.287 244 I C 0.373 176.404 176.117 -0.143 0.000 1.008 244 I CA -0.797 60.418 61.300 -0.141 0.000 1.104 244 I CB 1.708 39.590 38.000 -0.197 0.000 1.264 244 I HN 0.174 nan 8.210 nan 0.000 0.438 245 S N 6.570 122.180 115.700 -0.150 0.000 2.562 245 S HA 0.317 4.787 4.470 -0.000 0.000 0.281 245 S C -0.264 174.207 174.600 -0.214 0.000 1.333 245 S CA -0.464 57.646 58.200 -0.150 0.000 1.052 245 S CB 0.634 63.751 63.200 -0.139 0.000 0.884 245 S HN 0.508 nan 8.310 nan 0.000 0.506 246 K N 1.983 122.266 120.400 -0.194 0.000 2.185 246 K HA 0.585 4.905 4.320 -0.000 0.000 0.269 246 K C -0.766 175.648 176.600 -0.309 0.000 0.987 246 K CA -0.877 55.259 56.287 -0.251 0.000 0.865 246 K CB 1.802 34.175 32.500 -0.211 0.000 1.090 246 K HN 0.599 nan 8.250 nan 0.000 0.450 247 V N 2.729 122.402 119.914 -0.401 0.000 2.656 247 V HA 0.486 4.606 4.120 -0.000 0.000 0.307 247 V C -1.274 174.734 176.094 -0.144 0.000 1.051 247 V CA -0.868 61.235 62.300 -0.327 0.000 0.893 247 V CB 0.919 32.483 31.823 -0.431 0.000 0.999 247 V HN 0.553 nan 8.190 nan 0.000 0.426 248 F N 5.777 125.818 119.950 0.152 0.000 2.472 248 F HA 0.362 4.889 4.527 -0.000 0.000 0.364 248 F C 0.231 176.263 175.800 0.388 0.000 1.090 248 F CA 0.193 58.357 58.000 0.273 0.000 1.188 248 F CB 0.480 39.599 39.000 0.198 0.000 1.105 248 F HN 0.807 nan 8.300 nan 0.000 0.536 249 W N 6.190 127.804 121.300 0.523 0.000 2.202 249 W HA 0.405 5.065 4.660 -0.000 0.000 0.332 249 W C -0.557 176.183 176.519 0.368 0.000 1.263 249 W CA -0.216 57.398 57.345 0.449 0.000 1.223 249 W CB 0.365 30.197 29.460 0.620 0.000 1.128 249 W HN 0.660 nan 8.180 nan 0.000 0.573 250 H N 0.765 119.510 119.070 -0.541 0.000 2.907 250 H HA 0.416 4.972 4.556 -0.000 0.000 0.361 250 H C -0.936 173.385 175.328 -1.678 0.000 1.194 250 H CA -1.363 54.132 56.048 -0.922 0.000 1.152 250 H CB 0.685 30.306 29.762 -0.235 0.000 1.867 250 H HN 0.513 nan 8.280 nan 0.000 0.561 251 E N 0.039 119.687 120.200 -0.920 0.000 2.413 251 E HA 0.057 4.407 4.350 -0.000 0.000 0.263 251 E C -0.698 175.861 176.600 -0.068 0.000 1.015 251 E CA -0.211 55.936 56.400 -0.422 0.000 0.916 251 E CB 0.000 29.684 29.700 -0.028 0.000 0.947 251 E HN 0.807 nan 8.360 nan 0.000 0.440 252 N N 0.671 119.401 118.700 0.049 0.000 2.721 252 N HA -0.250 4.490 4.740 -0.000 0.000 0.249 252 N C -0.806 174.768 175.510 0.106 0.000 1.072 252 N CA 0.544 53.652 53.050 0.097 0.000 0.710 252 N CB -1.148 37.389 38.487 0.084 0.000 0.993 252 N HN 0.605 nan 8.380 nan 0.000 0.547 253 H N 0.981 120.016 119.070 -0.060 0.000 3.034 253 H HA 0.055 4.611 4.556 -0.000 0.000 0.324 253 H C 1.430 176.816 175.328 0.097 0.000 1.015 253 H CA 1.359 57.372 56.048 -0.059 0.000 1.429 253 H CB 0.854 30.490 29.762 -0.210 0.000 1.429 253 H HN 0.398 nan 8.280 nan 0.000 0.585 254 S N 3.408 119.062 115.700 -0.076 0.000 2.387 254 S HA -0.195 4.275 4.470 -0.000 0.000 0.230 254 S C 1.053 175.793 174.600 0.234 0.000 1.035 254 S CA 1.522 59.760 58.200 0.063 0.000 1.014 254 S CB 0.066 63.256 63.200 -0.017 0.000 0.836 254 S HN 0.652 nan 8.310 nan 0.000 0.466 255 E N 0.735 121.231 120.200 0.493 0.000 2.499 255 E HA 0.394 4.744 4.350 -0.000 0.000 0.207 255 E C 1.092 178.043 176.600 0.585 0.000 1.034 255 E CA 0.158 56.863 56.400 0.509 0.000 1.098 255 E CB 0.375 30.360 29.700 0.476 0.000 1.148 255 E HN 0.586 nan 8.360 nan 0.000 0.447 256 G N 0.803 109.836 108.800 0.389 0.000 3.159 256 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.232 256 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.232 256 G C 0.376 175.243 174.900 -0.053 0.000 1.116 256 G CA -0.361 44.740 45.100 0.001 0.000 0.767 256 G HN 0.196 nan 8.290 nan 0.000 0.547 257 N N 0.523 119.276 118.700 0.087 0.000 2.696 257 N HA 0.126 4.865 4.740 -0.000 0.000 0.308 257 N C -0.967 174.629 175.510 0.143 0.000 1.915 257 N CA -0.983 52.106 53.050 0.065 0.000 0.906 257 N CB -0.308 38.212 38.487 0.054 0.000 1.284 257 N HN -0.199 nan 8.380 nan 0.000 0.488 258 N N 1.853 120.695 118.700 0.236 0.000 2.420 258 N HA 0.263 5.003 4.740 -0.000 0.000 0.262 258 N C 0.059 175.728 175.510 0.266 0.000 1.144 258 N CA 0.139 53.350 53.050 0.270 0.000 0.952 258 N CB 0.724 39.443 38.487 0.386 0.000 1.081 258 N HN 0.618 nan 8.380 nan 0.000 0.480 259 M N -1.130 118.569 119.600 0.165 0.000 2.622 259 M HA 0.559 5.039 4.480 -0.000 0.000 0.276 259 M C -1.209 175.139 176.300 0.080 0.000 1.265 259 M CA -1.055 54.333 55.300 0.147 0.000 0.850 259 M CB 1.761 34.445 32.600 0.140 0.000 1.720 259 M HN -0.074 nan 8.290 nan 0.000 0.465 272 Q N -1.135 118.753 119.800 0.147 0.000 2.297 272 Q HA -0.129 4.211 4.340 -0.000 0.000 0.208 272 Q C -0.455 175.667 176.000 0.203 0.000 0.981 272 Q CA 2.022 57.928 55.803 0.171 0.000 0.876 272 Q CB -0.455 28.375 28.738 0.153 0.000 0.921 272 Q HN 0.651 nan 8.270 nan 0.000 0.446 273 D N -0.239 120.276 120.400 0.192 0.000 2.325 273 D HA 0.084 4.724 4.640 -0.000 0.000 0.225 273 D C 0.655 177.072 176.300 0.196 0.000 1.096 273 D CA -0.194 53.914 54.000 0.181 0.000 0.844 273 D CB -0.110 40.786 40.800 0.161 0.000 0.925 273 D HN 0.227 nan 8.370 nan 0.000 0.513 274 F N 1.347 121.357 119.950 0.099 0.000 2.091 274 F HA -0.213 4.314 4.527 -0.000 0.000 0.299 274 F C 1.523 177.438 175.800 0.192 0.000 1.103 274 F CA 1.484 59.550 58.000 0.111 0.000 1.228 274 F CB 0.264 39.318 39.000 0.089 0.000 0.984 274 F HN -0.084 nan 8.300 nan 0.000 0.477 275 D N -0.663 119.927 120.400 0.316 0.000 2.340 275 D HA -0.007 4.633 4.640 -0.000 0.000 0.220 275 D C 1.810 178.323 176.300 0.355 0.000 1.039 275 D CA 0.409 54.564 54.000 0.259 0.000 0.866 275 D CB 0.297 41.280 40.800 0.306 0.000 0.913 275 D HN 0.315 nan 8.370 nan 0.000 0.523 276 M N -0.461 119.308 119.600 0.281 0.000 2.367 276 M HA 0.096 4.576 4.480 -0.000 0.000 0.256 276 M C 0.165 176.456 176.300 -0.016 0.000 1.091 276 M CA -0.322 55.079 55.300 0.168 0.000 1.049 276 M CB -0.244 32.417 32.600 0.103 0.000 1.406 276 M HN -0.140 nan 8.290 nan 0.000 0.498 277 F N 1.871 121.758 119.950 -0.105 0.000 2.533 277 F HA 0.300 4.827 4.527 -0.000 0.000 0.378 277 F C 1.423 177.167 175.800 -0.093 0.000 1.070 277 F CA -0.415 57.464 58.000 -0.203 0.000 1.172 277 F CB 0.482 39.329 39.000 -0.255 0.000 1.085 277 F HN 0.225 nan 8.300 nan 0.000 0.552 278 A N 7.342 129.851 122.820 -0.518 0.000 1.929 278 A HA -0.212 4.108 4.320 -0.000 0.000 0.221 278 A C -0.516 176.939 177.584 -0.214 0.000 1.211 278 A CA 2.124 53.941 52.037 -0.366 0.000 0.657 278 A CB -2.134 16.617 19.000 -0.414 0.000 0.827 278 A HN 0.699 nan 8.150 nan 0.000 0.462 279 P HA -0.037 nan 4.420 nan 0.000 0.230 279 P C 0.479 177.673 177.300 -0.177 0.000 1.158 279 P CA 0.817 63.700 63.100 -0.361 0.000 0.769 279 P CB -0.065 31.343 31.700 -0.487 0.000 0.807 280 N N -0.589 117.980 118.700 -0.218 0.000 2.314 280 N HA 0.171 4.911 4.740 -0.000 0.000 0.200 280 N C 0.857 175.937 175.510 -0.716 0.000 1.135 280 N CA 0.430 53.321 53.050 -0.265 0.000 0.835 280 N CB 0.634 38.902 38.487 -0.364 0.000 0.989 280 N HN 0.140 nan 8.380 nan 0.000 0.478 281 G N -0.050 108.211 108.800 -0.898 0.000 2.550 281 G HA2 0.523 4.483 3.960 -0.000 0.000 0.293 281 G HA3 0.523 4.483 3.960 -0.000 0.000 0.293 281 G C -1.648 172.558 174.900 -1.157 0.000 1.402 281 G CA -0.617 43.477 45.100 -1.676 0.000 0.784 281 G HN 0.167 nan 8.290 nan 0.000 0.482 282 E N -1.808 117.584 120.200 -1.346 0.000 2.435 282 E HA 0.443 4.793 4.350 -0.000 0.000 0.277 282 E C -1.479 174.789 176.600 -0.554 0.000 1.106 282 E CA -1.069 54.940 56.400 -0.651 0.000 0.868 282 E CB 1.136 30.731 29.700 -0.174 0.000 1.454 282 E HN 0.412 nan 8.360 nan 0.000 0.452 283 I N 2.521 123.002 120.570 -0.149 0.000 2.308 283 I HA 0.172 4.342 4.170 -0.000 0.000 0.293 283 I C -1.404 174.666 176.117 -0.079 0.000 1.078 283 I CA -1.730 59.529 61.300 -0.068 0.000 1.292 283 I CB 0.825 38.852 38.000 0.046 0.000 1.423 283 I HN 0.509 nan 8.210 nan 0.000 0.493 284 P HA -0.062 nan 4.420 nan 0.000 0.217 284 P C -0.428 176.847 177.300 -0.042 0.000 1.151 284 P CA 1.261 64.314 63.100 -0.079 0.000 0.828 284 P CB 0.081 31.723 31.700 -0.096 0.000 0.788 285 N N -2.188 116.496 118.700 -0.026 0.000 3.387 285 N HA 0.115 4.855 4.740 -0.000 0.000 0.294 285 N C -0.873 174.639 175.510 0.002 0.000 1.519 285 N CA -0.783 52.261 53.050 -0.010 0.000 0.875 285 N CB -0.503 37.978 38.487 -0.011 0.000 1.657 285 N HN -0.347 nan 8.380 nan 0.000 0.527 286 N N -0.496 118.209 118.700 0.007 0.000 2.535 286 N HA 0.237 4.977 4.740 -0.000 0.000 0.294 286 N C -1.054 174.464 175.510 0.013 0.000 1.408 286 N CA -0.334 52.724 53.050 0.013 0.000 0.927 286 N CB -0.376 38.121 38.487 0.018 0.000 1.276 286 N HN 0.408 nan 8.380 nan 0.000 0.505 287 N N 0.703 119.410 118.700 0.012 0.000 2.525 287 N HA 0.235 4.975 4.740 -0.000 0.000 0.271 287 N C 0.269 175.791 175.510 0.020 0.000 1.194 287 N CA -0.176 52.883 53.050 0.016 0.000 0.964 287 N CB 1.262 39.759 38.487 0.016 0.000 1.126 287 N HN 0.161 nan 8.380 nan 0.000 0.452 288 L N 1.721 122.959 121.223 0.025 0.000 2.453 288 L HA 0.126 4.466 4.340 -0.000 0.000 0.272 288 L C 0.223 177.115 176.870 0.037 0.000 1.182 288 L CA -0.372 54.486 54.840 0.030 0.000 0.858 288 L CB 0.157 42.238 42.059 0.036 0.000 1.120 288 L HN 0.236 nan 8.230 nan 0.000 0.474 289 L N 3.379 124.627 121.223 0.041 0.000 2.357 289 L HA 0.254 4.594 4.340 -0.000 0.000 0.273 289 L C 0.371 177.276 176.870 0.059 0.000 1.080 289 L CA 0.013 54.890 54.840 0.061 0.000 0.803 289 L CB 0.940 43.048 42.059 0.083 0.000 1.174 289 L HN 0.482 nan 8.230 nan 0.000 0.443 290 N N 2.526 121.257 118.700 0.052 0.000 2.416 290 N HA 0.120 4.860 4.740 -0.000 0.000 0.265 290 N C -0.754 174.777 175.510 0.034 0.000 1.195 290 N CA 0.563 53.633 53.050 0.034 0.000 0.943 290 N CB -0.118 38.377 38.487 0.014 0.000 1.115 290 N HN 0.696 nan 8.380 nan 0.000 0.481 291 N N 1.431 120.159 118.700 0.047 0.000 3.550 291 N HA 0.364 5.104 4.740 -0.000 0.000 0.345 291 N C -1.146 174.397 175.510 0.055 0.000 1.647 291 N CA -0.826 52.262 53.050 0.062 0.000 0.737 291 N CB 0.451 39.001 38.487 0.105 0.000 2.178 291 N HN 0.480 nan 8.380 nan 0.000 0.638 292 N N -0.632 118.111 118.700 0.071 0.000 2.700 292 N HA -0.181 4.559 4.740 -0.000 0.000 0.265 292 N C -0.963 174.573 175.510 0.043 0.000 0.975 292 N CA 0.284 53.372 53.050 0.063 0.000 0.800 292 N CB -0.564 37.964 38.487 0.068 0.000 0.908 292 N HN 0.161 nan 8.380 nan 0.000 0.551 293 S N -0.341 115.378 115.700 0.031 0.000 2.855 293 S HA 0.383 4.853 4.470 -0.000 0.000 0.249 293 S C 0.664 175.272 174.600 0.012 0.000 1.033 293 S CA -0.479 57.731 58.200 0.018 0.000 1.038 293 S CB 0.527 63.728 63.200 0.003 0.000 0.960 293 S HN 0.363 nan 8.310 nan 0.000 0.548 294 L N -0.197 121.035 121.223 0.014 0.000 2.923 294 L HA 0.388 4.728 4.340 -0.000 0.000 0.161 294 L C -0.076 176.793 176.870 -0.002 0.000 1.202 294 L CA -0.168 54.672 54.840 -0.001 0.000 0.920 294 L CB -0.117 41.934 42.059 -0.014 0.000 1.773 294 L HN 0.159 nan 8.230 nan 0.000 0.532 295 N N 1.094 119.802 118.700 0.013 0.000 2.725 295 N HA -0.142 4.598 4.740 -0.000 0.000 0.251 295 N C -0.705 174.806 175.510 0.001 0.000 1.031 295 N CA 0.861 53.929 53.050 0.029 0.000 0.720 295 N CB -0.858 37.657 38.487 0.046 0.000 0.930 295 N HN 0.305 nan 8.380 nan 0.000 0.543 296 V N -2.661 117.222 119.914 -0.051 0.000 3.166 296 V HA 0.682 4.802 4.120 -0.000 0.000 0.317 296 V C 0.799 176.882 176.094 -0.019 0.000 1.136 296 V CA -1.232 60.998 62.300 -0.118 0.000 1.035 296 V CB 2.045 33.574 31.823 -0.490 0.000 1.110 296 V HN 0.023 nan 8.190 nan 0.000 0.450 297 I N 2.569 123.165 120.570 0.044 0.000 2.352 297 I HA 0.323 4.493 4.170 -0.000 0.000 0.290 297 I C 0.297 176.549 176.117 0.224 0.000 1.036 297 I CA -0.091 61.207 61.300 -0.003 0.000 1.336 297 I CB 0.971 38.747 38.000 -0.374 0.000 1.407 297 I HN 0.750 nan 8.210 nan 0.000 0.497 298 Q N 4.676 124.660 119.800 0.306 0.000 2.364 298 Q HA 0.115 4.455 4.340 -0.000 0.000 0.267 298 Q C -0.220 176.110 176.000 0.549 0.000 0.999 298 Q CA -0.333 55.688 55.803 0.364 0.000 0.886 298 Q CB 0.399 29.294 28.738 0.262 0.000 1.243 298 Q HN 0.337 nan 8.270 nan 0.000 0.415 299 N N 1.241 120.205 118.700 0.439 0.000 2.429 299 N HA 0.069 4.808 4.740 -0.000 0.000 0.271 299 N C -0.373 175.389 175.510 0.419 0.000 1.272 299 N CA 0.318 53.625 53.050 0.429 0.000 0.921 299 N CB 0.500 39.178 38.487 0.319 0.000 1.128 299 N HN 0.443 nan 8.380 nan 0.000 0.481 300 S N 0.386 116.302 115.700 0.361 0.000 2.669 300 S HA 0.163 4.633 4.470 -0.000 0.000 0.266 300 S C -1.650 172.876 174.600 -0.122 0.000 1.149 300 S CA -0.865 57.349 58.200 0.024 0.000 0.842 300 S CB 0.765 63.755 63.200 -0.350 0.000 1.160 300 S HN 0.575 nan 8.310 nan 0.000 0.487 301 E N 0.811 120.848 120.200 -0.273 0.000 2.259 301 E HA 0.448 4.798 4.350 -0.000 0.000 0.281 301 E C -1.618 174.737 176.600 -0.409 0.000 1.037 301 E CA -0.018 56.283 56.400 -0.165 0.000 0.854 301 E CB 0.426 30.094 29.700 -0.052 0.000 1.051 301 E HN 0.476 nan 8.360 nan 0.000 0.409 302 Y N 1.554 121.895 120.300 0.068 0.000 2.605 302 Y HA 0.281 4.831 4.550 -0.000 0.000 0.343 302 Y C 0.053 176.029 175.900 0.127 0.000 1.036 302 Y CA -0.918 57.216 58.100 0.057 0.000 1.065 302 Y CB 1.905 40.397 38.460 0.052 0.000 1.288 302 Y HN 0.421 nan 8.280 nan 0.000 0.481 303 Q N 1.503 121.478 119.800 0.292 0.000 2.266 303 Q HA 0.620 4.960 4.340 -0.000 0.000 0.261 303 Q C -1.329 174.810 176.000 0.231 0.000 0.985 303 Q CA -0.801 55.163 55.803 0.268 0.000 0.873 303 Q CB 2.533 31.390 28.738 0.197 0.000 1.306 303 Q HN 0.528 nan 8.270 nan 0.000 0.447 304 I N 2.351 123.035 120.570 0.189 0.000 2.355 304 I HA 0.336 4.506 4.170 -0.000 0.000 0.288 304 I C -0.477 175.806 176.117 0.276 0.000 0.999 304 I CA -0.461 60.909 61.300 0.117 0.000 1.163 304 I CB 0.960 38.812 38.000 -0.246 0.000 1.316 304 I HN 0.261 nan 8.210 nan 0.000 0.454 305 K N 4.946 125.573 120.400 0.379 0.000 2.270 305 K HA 0.363 4.683 4.320 -0.000 0.000 0.255 305 K C -0.504 176.333 176.600 0.396 0.000 0.936 305 K CA -0.889 55.613 56.287 0.358 0.000 0.809 305 K CB 2.089 34.730 32.500 0.235 0.000 1.131 305 K HN 0.502 nan 8.250 nan 0.000 0.427 306 N N 2.240 121.030 118.700 0.151 0.000 2.508 306 N HA -0.030 4.710 4.740 -0.000 0.000 0.264 306 N C 0.618 176.013 175.510 -0.191 0.000 1.216 306 N CA 0.216 53.075 53.050 -0.318 0.000 0.943 306 N CB 0.946 39.162 38.487 -0.451 0.000 1.113 306 N HN 0.537 nan 8.380 nan 0.000 0.447 307 K N 2.760 122.965 120.400 -0.325 0.000 2.103 307 K HA -0.101 4.219 4.320 -0.000 0.000 0.204 307 K C 1.603 178.051 176.600 -0.252 0.000 1.052 307 K CA 1.026 57.140 56.287 -0.288 0.000 0.945 307 K CB 0.073 32.221 32.500 -0.586 0.000 0.722 307 K HN 0.489 nan 8.250 nan 0.000 0.443 308 K N 0.077 120.309 120.400 -0.281 0.000 2.148 308 K HA -0.131 4.189 4.320 -0.000 0.000 0.204 308 K C -0.222 176.294 176.600 -0.140 0.000 1.050 308 K CA 1.147 57.309 56.287 -0.207 0.000 0.942 308 K CB 0.234 32.607 32.500 -0.212 0.000 0.724 308 K HN 0.017 nan 8.250 nan 0.000 0.446 309 D N -0.657 119.667 120.400 -0.126 0.000 2.365 309 D HA 0.138 4.778 4.640 -0.000 0.000 0.235 309 D C -0.167 176.115 176.300 -0.031 0.000 1.368 309 D CA -0.248 53.710 54.000 -0.070 0.000 1.001 309 D CB 0.796 41.558 40.800 -0.065 0.000 1.364 309 D HN -0.072 nan 8.370 nan 0.000 0.577 310 R N 1.507 122.006 120.500 -0.002 0.000 2.293 310 R HA -0.015 4.325 4.340 -0.000 0.000 0.219 310 R C 1.054 177.387 176.300 0.054 0.000 1.091 310 R CA 0.586 56.713 56.100 0.045 0.000 1.004 310 R CB 0.205 30.540 30.300 0.058 0.000 0.865 310 R HN 0.303 nan 8.270 nan 0.000 0.469 311 N N 0.908 119.624 118.700 0.028 0.000 2.457 311 N HA -0.019 4.721 4.740 -0.000 0.000 0.180 311 N C 0.678 176.216 175.510 0.048 0.000 1.050 311 N CA 0.617 53.685 53.050 0.030 0.000 0.906 311 N CB 0.154 38.634 38.487 -0.013 0.000 0.968 311 N HN 0.337 nan 8.380 nan 0.000 0.445 312 I N -1.392 119.215 120.570 0.061 0.000 2.460 312 I HA 0.545 4.715 4.170 -0.000 0.000 0.298 312 I C -0.068 176.155 176.117 0.177 0.000 0.989 312 I CA -1.116 60.248 61.300 0.106 0.000 1.173 312 I CB 1.918 39.960 38.000 0.071 0.000 1.338 312 I HN -0.299 nan 8.210 nan 0.000 0.456 313 V N 2.947 123.002 119.914 0.235 0.000 3.001 313 V HA 0.551 4.671 4.120 -0.000 0.000 0.314 313 V C -0.003 176.264 176.094 0.289 0.000 1.099 313 V CA -0.988 61.477 62.300 0.275 0.000 0.989 313 V CB 1.474 33.452 31.823 0.258 0.000 1.040 313 V HN 0.641 nan 8.190 nan 0.000 0.434 314 V N 2.737 122.787 119.914 0.227 0.000 2.458 314 V HA 0.398 4.518 4.120 -0.000 0.000 0.287 314 V C 0.683 177.006 176.094 0.382 0.000 1.009 314 V CA 1.397 63.753 62.300 0.094 0.000 1.091 314 V CB 0.463 32.044 31.823 -0.404 0.000 0.960 314 V HN 1.213 nan 8.190 nan 0.000 0.476 315 T N 5.925 120.685 114.554 0.344 0.000 2.916 315 T HA 0.500 4.850 4.350 -0.000 0.000 0.298 315 T C -1.036 173.831 174.700 0.278 0.000 1.031 315 T CA -0.727 61.586 62.100 0.355 0.000 0.993 315 T CB 1.295 70.293 68.868 0.217 0.000 1.045 315 T HN 0.430 nan 8.240 nan 0.000 0.454 316 L N 4.689 126.041 121.223 0.215 0.000 2.315 316 L HA 0.394 4.734 4.340 -0.000 0.000 0.283 316 L C 1.285 178.108 176.870 -0.078 0.000 1.089 316 L CA 0.311 55.195 54.840 0.073 0.000 0.833 316 L CB 0.715 42.743 42.059 -0.052 0.000 1.170 316 L HN 0.918 nan 8.230 nan 0.000 0.442 317 D N 2.088 122.436 120.400 -0.087 0.000 2.092 317 D HA -0.130 4.510 4.640 -0.000 0.000 0.193 317 D C 0.777 176.958 176.300 -0.199 0.000 0.994 317 D CA 1.766 55.685 54.000 -0.134 0.000 0.828 317 D CB 0.428 41.169 40.800 -0.098 0.000 0.963 317 D HN 0.550 nan 8.370 nan 0.000 0.450 318 S N -1.967 113.571 115.700 -0.271 0.000 2.971 318 S HA 0.337 4.807 4.470 -0.000 0.000 0.320 318 S C -1.186 173.237 174.600 -0.295 0.000 1.111 318 S CA -0.114 57.914 58.200 -0.286 0.000 0.870 318 S CB 1.060 64.059 63.200 -0.334 0.000 1.331 318 S HN 0.301 nan 8.310 nan 0.000 0.635 319 D N 0.177 120.452 120.400 -0.209 0.000 2.593 319 D HA 0.192 4.832 4.640 -0.000 0.000 0.241 319 D C -0.301 175.982 176.300 -0.027 0.000 1.257 319 D CA -0.228 53.702 54.000 -0.117 0.000 0.828 319 D CB -0.455 40.311 40.800 -0.057 0.000 1.049 319 D HN 0.465 nan 8.370 nan 0.000 0.490 320 Y N -1.861 118.404 120.300 -0.058 0.000 2.598 320 Y HA 0.756 5.306 4.550 -0.000 0.000 0.340 320 Y C 0.613 176.471 175.900 -0.071 0.000 1.038 320 Y CA -1.968 56.103 58.100 -0.048 0.000 1.100 320 Y CB 0.566 39.004 38.460 -0.038 0.000 1.281 320 Y HN -0.110 nan 8.280 nan 0.000 0.488 321 G N 0.262 109.167 108.800 0.174 0.000 2.305 321 G HA2 0.375 4.335 3.960 -0.000 0.000 0.243 321 G HA3 0.375 4.335 3.960 -0.000 0.000 0.243 321 G C 0.908 175.767 174.900 -0.068 0.000 1.288 321 G CA 0.106 45.233 45.100 0.044 0.000 0.901 321 G HN 1.978 nan 8.290 nan 0.000 0.516 322 G N 1.300 109.725 108.800 -0.625 0.000 2.148 322 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.254 322 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.254 322 G C 0.691 175.401 174.900 -0.317 0.000 0.981 322 G CA 0.396 45.094 45.100 -0.669 0.000 0.670 322 G HN 1.082 nan 8.290 nan 0.000 0.528 323 S N 2.584 118.039 115.700 -0.407 0.000 2.533 323 S HA 0.428 4.898 4.470 -0.000 0.000 0.282 323 S C -1.294 173.168 174.600 -0.231 0.000 1.304 323 S CA -0.313 57.626 58.200 -0.434 0.000 1.063 323 S CB 1.292 64.078 63.200 -0.690 0.000 0.881 323 S HN 0.435 nan 8.310 nan 0.000 0.493 324 P HA 0.126 nan 4.420 nan 0.000 0.272 324 P C -0.909 176.380 177.300 -0.018 0.000 1.223 324 P CA -0.316 62.761 63.100 -0.038 0.000 0.784 324 P CB 0.447 32.152 31.700 0.007 0.000 0.923 325 V N 3.061 122.985 119.914 0.016 0.000 2.394 325 V HA 0.274 4.394 4.120 -0.000 0.000 0.282 325 V C 0.558 176.682 176.094 0.050 0.000 1.031 325 V CA -0.171 62.152 62.300 0.037 0.000 0.881 325 V CB 0.756 32.565 31.823 -0.023 0.000 0.982 325 V HN 0.549 nan 8.190 nan 0.000 0.451 326 E N 2.288 122.544 120.200 0.094 0.000 2.359 326 E HA 0.567 4.917 4.350 -0.000 0.000 0.266 326 E C -0.720 175.988 176.600 0.181 0.000 0.920 326 E CA -0.847 55.632 56.400 0.131 0.000 0.788 326 E CB 2.088 31.880 29.700 0.155 0.000 1.279 326 E HN 0.665 nan 8.360 nan 0.000 0.438 327 S N 0.809 116.624 115.700 0.191 0.000 2.565 327 S HA 0.409 4.879 4.470 -0.000 0.000 0.274 327 S C -0.852 173.914 174.600 0.276 0.000 1.309 327 S CA -0.434 57.898 58.200 0.220 0.000 1.043 327 S CB 0.393 63.688 63.200 0.159 0.000 0.939 327 S HN 0.565 nan 8.310 nan 0.000 0.504 328 Y N 0.749 121.141 120.300 0.154 0.000 2.544 328 Y HA 0.394 4.944 4.550 -0.000 0.000 0.342 328 Y C -0.221 175.786 175.900 0.179 0.000 1.062 328 Y CA -1.021 57.184 58.100 0.174 0.000 1.023 328 Y CB 1.622 40.204 38.460 0.204 0.000 1.308 328 Y HN 0.882 nan 8.280 nan 0.000 0.457 329 K N 3.580 124.043 120.400 0.105 0.000 2.491 329 K HA -0.073 4.247 4.320 -0.000 0.000 0.279 329 K C -0.273 176.441 176.600 0.191 0.000 1.026 329 K CA 0.085 56.417 56.287 0.076 0.000 1.070 329 K CB 0.216 32.678 32.500 -0.063 0.000 0.887 329 K HN 0.655 nan 8.250 nan 0.000 0.481 330 N N 4.110 122.857 118.700 0.077 0.000 2.434 330 N HA -0.049 4.691 4.740 -0.000 0.000 0.268 330 N C -0.690 174.752 175.510 -0.115 0.000 1.256 330 N CA 0.419 53.526 53.050 0.095 0.000 0.914 330 N CB 0.059 38.601 38.487 0.090 0.000 1.088 330 N HN 0.483 nan 8.380 nan 0.000 0.478 331 F N 0.501 120.534 119.950 0.139 0.000 2.729 331 F HA 0.307 4.834 4.527 -0.000 0.000 0.315 331 F C 1.675 177.273 175.800 -0.336 0.000 1.102 331 F CA -0.021 57.916 58.000 -0.105 0.000 1.204 331 F CB 0.218 39.172 39.000 -0.077 0.000 1.052 331 F HN 0.614 nan 8.300 nan 0.000 0.551 332 G N 0.832 109.622 108.800 -0.017 0.000 2.221 332 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.265 332 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.265 332 G C 0.048 174.886 174.900 -0.103 0.000 1.041 332 G CA -0.343 44.727 45.100 -0.049 0.000 0.807 332 G HN 0.152 nan 8.290 nan 0.000 0.502 333 F N 0.272 120.248 119.950 0.043 0.000 2.450 333 F HA 0.352 4.879 4.527 -0.000 0.000 0.339 333 F C 1.829 177.585 175.800 -0.074 0.000 1.146 333 F CA -0.383 57.590 58.000 -0.044 0.000 1.267 333 F CB 0.647 39.606 39.000 -0.068 0.000 1.178 333 F HN 0.022 nan 8.300 nan 0.000 0.585 334 E N 1.332 121.597 120.200 0.107 0.000 2.118 334 E HA -0.232 4.118 4.350 -0.000 0.000 0.195 334 E C 1.623 178.150 176.600 -0.122 0.000 0.992 334 E CA 1.401 57.784 56.400 -0.029 0.000 0.804 334 E CB -0.493 29.166 29.700 -0.068 0.000 0.741 334 E HN 0.610 nan 8.360 nan 0.000 0.458 335 N N 0.699 119.326 118.700 -0.120 0.000 2.571 335 N HA -0.137 4.603 4.740 -0.000 0.000 0.189 335 N C 0.788 176.162 175.510 -0.226 0.000 1.154 335 N CA 0.446 53.347 53.050 -0.249 0.000 0.907 335 N CB -0.190 38.157 38.487 -0.233 0.000 0.977 335 N HN 0.227 nan 8.380 nan 0.000 0.449 336 Q N -0.480 119.277 119.800 -0.072 0.000 2.188 336 Q HA 0.253 4.593 4.340 -0.000 0.000 0.212 336 Q C -0.541 175.492 176.000 0.055 0.000 0.846 336 Q CA -0.002 55.849 55.803 0.080 0.000 0.989 336 Q CB 0.604 29.463 28.738 0.202 0.000 1.114 336 Q HN 0.317 nan 8.270 nan 0.000 0.488 337 K N 0.214 120.485 120.400 -0.216 0.000 2.371 337 K HA 0.507 4.827 4.320 -0.000 0.000 0.251 337 K C -1.513 174.840 176.600 -0.412 0.000 0.934 337 K CA -0.532 55.690 56.287 -0.108 0.000 0.798 337 K CB 1.632 34.118 32.500 -0.023 0.000 1.204 337 K HN -0.078 nan 8.250 nan 0.000 0.427 338 W N 0.791 122.138 121.300 0.077 0.000 2.998 338 W HA 0.341 5.001 4.660 -0.000 0.000 0.335 338 W C -0.527 176.087 176.519 0.157 0.000 1.110 338 W CA -0.532 56.866 57.345 0.089 0.000 1.230 338 W CB 1.211 30.686 29.460 0.026 0.000 1.405 338 W HN 0.456 nan 8.180 nan 0.000 0.493 339 N N 2.805 121.736 118.700 0.385 0.000 2.408 339 N HA 0.428 5.168 4.740 -0.000 0.000 0.257 339 N C -0.744 175.053 175.510 0.477 0.000 1.064 339 N CA -0.333 52.935 53.050 0.363 0.000 0.952 339 N CB 0.783 39.424 38.487 0.256 0.000 1.093 339 N HN 0.211 nan 8.380 nan 0.000 0.490 340 I N 2.286 123.146 120.570 0.483 0.000 2.331 340 I HA 0.218 4.388 4.170 -0.000 0.000 0.292 340 I C 0.173 176.589 176.117 0.498 0.000 0.998 340 I CA -0.442 61.126 61.300 0.446 0.000 1.267 340 I CB 1.036 39.202 38.000 0.278 0.000 1.386 340 I HN 0.346 nan 8.210 nan 0.000 0.476 341 K N 6.771 127.490 120.400 0.532 0.000 2.463 341 K HA 0.306 4.626 4.320 -0.000 0.000 0.255 341 K C -1.580 175.328 176.600 0.513 0.000 0.942 341 K CA -0.636 55.946 56.287 0.493 0.000 0.814 341 K CB 1.701 34.488 32.500 0.478 0.000 1.122 341 K HN 0.440 nan 8.250 nan 0.000 0.425 342 Y N 2.892 123.356 120.300 0.273 0.000 2.299 342 Y HA 0.237 4.787 4.550 -0.000 0.000 0.326 342 Y C -0.531 175.382 175.900 0.022 0.000 1.164 342 Y CA -0.466 57.629 58.100 -0.008 0.000 1.234 342 Y CB 1.135 39.539 38.460 -0.095 0.000 1.219 342 Y HN 0.583 nan 8.280 nan 0.000 0.497 343 D N 3.129 123.160 120.400 -0.615 0.000 2.381 343 D HA 0.198 4.838 4.640 -0.000 0.000 0.235 343 D C 0.164 175.867 176.300 -0.995 0.000 1.068 343 D CA -0.062 53.625 54.000 -0.520 0.000 0.832 343 D CB 1.929 42.632 40.800 -0.162 0.000 1.101 343 D HN 0.756 nan 8.370 nan 0.000 0.515 344 S N 3.272 118.576 115.700 -0.659 0.000 2.348 344 S HA -0.153 4.317 4.470 -0.000 0.000 0.221 344 S C 1.676 176.103 174.600 -0.289 0.000 1.033 344 S CA 1.054 58.985 58.200 -0.449 0.000 1.010 344 S CB 0.102 63.207 63.200 -0.157 0.000 0.891 344 S HN 0.545 nan 8.310 nan 0.000 0.442 345 K N 0.907 121.176 120.400 -0.218 0.000 2.147 345 K HA -0.046 4.274 4.320 -0.000 0.000 0.205 345 K C 1.706 178.201 176.600 -0.175 0.000 1.049 345 K CA 1.087 57.282 56.287 -0.154 0.000 0.936 345 K CB -0.044 32.383 32.500 -0.122 0.000 0.722 345 K HN 0.259 nan 8.250 nan 0.000 0.446 346 K N 0.007 120.255 120.400 -0.253 0.000 2.353 346 K HA 0.044 4.364 4.320 -0.000 0.000 0.195 346 K C 0.069 176.556 176.600 -0.188 0.000 1.031 346 K CA -0.066 56.067 56.287 -0.256 0.000 1.079 346 K CB 0.320 32.563 32.500 -0.427 0.000 0.857 346 K HN 0.003 nan 8.250 nan 0.000 0.535 347 N N 1.070 119.644 118.700 -0.209 0.000 2.699 347 N HA -0.246 4.494 4.740 -0.000 0.000 0.256 347 N C -1.424 174.118 175.510 0.053 0.000 0.993 347 N CA 0.855 53.889 53.050 -0.027 0.000 0.759 347 N CB -0.871 37.665 38.487 0.082 0.000 0.906 347 N HN 0.375 nan 8.380 nan 0.000 0.541 348 A N 0.003 122.766 122.820 -0.095 0.000 2.588 348 A HA 0.745 5.065 4.320 -0.000 0.000 0.290 348 A C -1.599 176.056 177.584 0.117 0.000 1.136 348 A CA -0.688 51.423 52.037 0.122 0.000 0.681 348 A CB 1.072 20.179 19.000 0.179 0.000 1.282 348 A HN 0.205 nan 8.150 nan 0.000 0.421 349 Y N 0.227 120.813 120.300 0.476 0.000 2.499 349 Y HA 0.581 5.131 4.550 -0.000 0.000 0.347 349 Y C 0.217 176.301 175.900 0.307 0.000 0.987 349 Y CA -0.676 57.676 58.100 0.421 0.000 1.044 349 Y CB 2.264 40.941 38.460 0.362 0.000 1.245 349 Y HN 0.585 nan 8.280 nan 0.000 0.461 350 K N 2.947 123.526 120.400 0.298 0.000 2.123 350 K HA 0.654 4.974 4.320 -0.000 0.000 0.259 350 K C -1.172 175.465 176.600 0.061 0.000 0.960 350 K CA -0.589 55.689 56.287 -0.015 0.000 0.872 350 K CB 1.551 33.849 32.500 -0.338 0.000 1.079 350 K HN 0.544 nan 8.250 nan 0.000 0.440 351 I N 3.528 124.042 120.570 -0.094 0.000 2.437 351 I HA 0.219 4.389 4.170 -0.000 0.000 0.279 351 I C -1.151 175.028 176.117 0.103 0.000 1.028 351 I CA -0.784 60.535 61.300 0.031 0.000 1.142 351 I CB 0.530 38.414 38.000 -0.194 0.000 1.266 351 I HN 0.450 nan 8.210 nan 0.000 0.461 352 Y N 4.355 124.863 120.300 0.347 0.000 2.326 352 Y HA 0.235 4.785 4.550 -0.000 0.000 0.337 352 Y C 0.918 176.970 175.900 0.253 0.000 1.023 352 Y CA -0.381 57.891 58.100 0.287 0.000 1.143 352 Y CB 0.721 39.276 38.460 0.159 0.000 1.183 352 Y HN 0.522 nan 8.280 nan 0.000 0.485 353 N N 2.750 121.528 118.700 0.130 0.000 2.479 353 N HA -0.013 4.727 4.740 -0.000 0.000 0.257 353 N C 0.929 176.266 175.510 -0.289 0.000 1.232 353 N CA -0.052 52.649 53.050 -0.582 0.000 0.920 353 N CB 0.703 38.739 38.487 -0.752 0.000 1.105 353 N HN 0.740 nan 8.380 nan 0.000 0.444 354 R N 2.025 122.295 120.500 -0.383 0.000 2.075 354 R HA -0.106 4.234 4.340 -0.000 0.000 0.226 354 R C 1.607 177.805 176.300 -0.169 0.000 1.114 354 R CA 0.968 56.954 56.100 -0.190 0.000 0.972 354 R CB -0.287 29.921 30.300 -0.152 0.000 0.869 354 R HN 0.749 nan 8.270 nan 0.000 0.437 355 E N 0.241 120.306 120.200 -0.224 0.000 2.106 355 E HA -0.077 4.273 4.350 -0.000 0.000 0.192 355 E C -0.347 176.170 176.600 -0.138 0.000 0.984 355 E CA 1.058 57.357 56.400 -0.169 0.000 0.806 355 E CB 0.324 29.913 29.700 -0.184 0.000 0.750 355 E HN 0.021 nan 8.360 nan 0.000 0.458 356 T N 1.973 116.434 114.554 -0.156 0.000 3.241 356 T HA 0.218 4.568 4.350 -0.000 0.000 0.387 356 T C -2.356 172.317 174.700 -0.045 0.000 1.451 356 T CA -1.324 60.721 62.100 -0.093 0.000 1.363 356 T CB 1.466 70.278 68.868 -0.093 0.000 1.074 356 T HN 0.026 nan 8.240 nan 0.000 0.598 357 P HA -0.130 nan 4.420 nan 0.000 0.218 357 P C 1.778 179.163 177.300 0.141 0.000 1.146 357 P CA 1.101 64.229 63.100 0.047 0.000 0.813 357 P CB -0.150 31.544 31.700 -0.010 0.000 0.778 358 T N -4.202 110.411 114.554 0.097 0.000 3.160 358 T HA 0.099 4.449 4.350 -0.000 0.000 0.257 358 T C 0.511 175.304 174.700 0.156 0.000 1.147 358 T CA 0.206 62.387 62.100 0.136 0.000 1.064 358 T CB -0.734 68.184 68.868 0.083 0.000 0.949 358 T HN -0.029 nan 8.240 nan 0.000 0.526 359 L N 1.560 122.864 121.223 0.136 0.000 2.313 359 L HA 0.577 4.917 4.340 -0.000 0.000 0.283 359 L C -0.872 176.094 176.870 0.161 0.000 1.013 359 L CA -1.243 53.666 54.840 0.114 0.000 0.816 359 L CB 1.681 43.761 42.059 0.036 0.000 1.236 359 L HN 0.073 nan 8.230 nan 0.000 0.419 360 L N 3.699 124.994 121.223 0.120 0.000 2.317 360 L HA 0.410 4.750 4.340 -0.000 0.000 0.281 360 L C -0.057 176.889 176.870 0.127 0.000 1.024 360 L CA -0.262 54.604 54.840 0.044 0.000 0.810 360 L CB 1.647 43.630 42.059 -0.127 0.000 1.240 360 L HN 0.447 nan 8.230 nan 0.000 0.427 361 L N 2.871 124.153 121.223 0.099 0.000 2.597 361 L HA 0.181 4.521 4.340 -0.000 0.000 0.271 361 L C -0.439 176.567 176.870 0.228 0.000 1.157 361 L CA 0.687 55.506 54.840 -0.035 0.000 0.928 361 L CB -0.119 41.615 42.059 -0.541 0.000 1.216 361 L HN 0.744 nan 8.230 nan 0.000 0.481 362 S N 3.844 119.709 115.700 0.275 0.000 2.549 362 S HA 0.404 4.874 4.470 -0.000 0.000 0.280 362 S C -1.639 173.229 174.600 0.447 0.000 1.109 362 S CA -0.571 57.847 58.200 0.363 0.000 0.905 362 S CB 1.504 64.893 63.200 0.315 0.000 1.081 362 S HN 0.624 nan 8.310 nan 0.000 0.477 363 W N 3.657 125.067 121.300 0.184 0.000 2.361 363 W HA 0.506 5.166 4.660 -0.000 0.000 0.314 363 W C -0.537 176.017 176.519 0.059 0.000 1.041 363 W CA -0.728 56.694 57.345 0.128 0.000 1.241 363 W CB 0.627 30.136 29.460 0.082 0.000 1.279 363 W HN 0.604 nan 8.180 nan 0.000 0.436 364 N N 3.330 121.784 118.700 -0.410 0.000 2.549 364 N HA -0.043 4.697 4.740 -0.000 0.000 0.267 364 N C 1.262 176.139 175.510 -1.055 0.000 1.182 364 N CA 0.754 53.475 53.050 -0.548 0.000 1.019 364 N CB 0.672 38.987 38.487 -0.287 0.000 1.380 364 N HN 0.438 nan 8.380 nan 0.000 0.505 365 S N 2.043 117.016 115.700 -1.212 0.000 2.507 365 S HA -0.012 4.458 4.470 -0.000 0.000 0.235 365 S C 1.001 175.267 174.600 -0.557 0.000 0.988 365 S CA 0.455 57.907 58.200 -1.247 0.000 0.944 365 S CB -0.019 62.745 63.200 -0.727 0.000 0.762 365 S HN 0.448 nan 8.310 nan 0.000 0.526 366 N N 2.118 120.566 118.700 -0.420 0.000 2.270 366 N HA 0.124 4.864 4.740 -0.000 0.000 0.198 366 N C 0.084 175.471 175.510 -0.205 0.000 1.117 366 N CA 0.362 53.261 53.050 -0.251 0.000 0.845 366 N CB 0.708 39.070 38.487 -0.209 0.000 0.980 366 N HN 0.658 nan 8.380 nan 0.000 0.486 367 S N 0.261 115.819 115.700 -0.236 0.000 2.565 367 S HA 0.295 4.765 4.470 -0.000 0.000 0.276 367 S C 0.684 175.234 174.600 -0.083 0.000 1.326 367 S CA -0.733 57.381 58.200 -0.142 0.000 1.045 367 S CB 1.318 64.442 63.200 -0.126 0.000 0.918 367 S HN 0.205 nan 8.310 nan 0.000 0.505 368 S N 2.554 118.226 115.700 -0.048 0.000 2.614 368 S HA 0.397 4.867 4.470 -0.000 0.000 0.265 368 S C 0.507 175.108 174.600 0.000 0.000 1.303 368 S CA -0.350 57.839 58.200 -0.018 0.000 1.000 368 S CB 0.026 63.219 63.200 -0.012 0.000 0.935 368 S HN 0.952 nan 8.310 nan 0.000 0.551 369 N N 0.015 118.725 118.700 0.017 0.000 2.951 369 N HA -0.163 4.577 4.740 -0.000 0.000 0.213 369 N C 0.844 176.388 175.510 0.056 0.000 0.877 369 N CA 1.739 54.811 53.050 0.036 0.000 1.042 369 N CB -1.841 36.670 38.487 0.040 0.000 1.005 369 N HN 1.879 nan 8.380 nan 0.000 0.604 370 G N 1.473 110.301 108.800 0.046 0.000 2.356 370 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.296 370 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.296 370 G C -0.122 174.877 174.900 0.166 0.000 1.022 370 G CA 0.987 46.139 45.100 0.087 0.000 0.961 370 G HN 0.669 nan 8.290 nan 0.000 0.510 371 E N -0.693 119.589 120.200 0.136 0.000 2.760 371 E HA -0.041 4.309 4.350 -0.000 0.000 0.268 371 E C 1.001 177.886 176.600 0.474 0.000 0.935 371 E CA 0.516 57.045 56.400 0.216 0.000 0.960 371 E CB 0.377 30.170 29.700 0.155 0.000 0.931 371 E HN 0.428 nan 8.360 nan 0.000 0.483 372 Q N 0.797 120.833 119.800 0.393 0.000 2.247 372 Q HA 0.078 4.418 4.340 -0.000 0.000 0.211 372 Q C 0.489 176.671 176.000 0.303 0.000 0.861 372 Q CA 0.096 56.125 55.803 0.377 0.000 0.949 372 Q CB 0.472 29.298 28.738 0.147 0.000 1.115 372 Q HN 0.497 nan 8.270 nan 0.000 0.507 373 V N -1.036 119.069 119.914 0.318 0.000 3.051 373 V HA 0.274 4.394 4.120 -0.000 0.000 0.306 373 V C 0.441 176.737 176.094 0.335 0.000 1.083 373 V CA -0.661 61.787 62.300 0.247 0.000 1.104 373 V CB 0.753 32.679 31.823 0.173 0.000 1.027 373 V HN -0.083 nan 8.190 nan 0.000 0.483 374 I N 3.369 124.073 120.570 0.223 0.000 2.392 374 I HA 0.649 4.819 4.170 -0.000 0.000 0.295 374 I C 0.458 176.653 176.117 0.130 0.000 0.985 374 I CA -0.214 61.216 61.300 0.216 0.000 1.221 374 I CB 1.341 39.395 38.000 0.090 0.000 1.366 374 I HN 0.888 nan 8.210 nan 0.000 0.467 375 R N 2.996 123.573 120.500 0.130 0.000 2.869 375 R HA 0.716 5.056 4.340 -0.000 0.000 0.263 375 R C -0.256 176.018 176.300 -0.043 0.000 1.066 375 R CA -1.132 54.958 56.100 -0.016 0.000 0.960 375 R CB 1.425 31.645 30.300 -0.134 0.000 1.221 375 R HN 0.722 nan 8.270 nan 0.000 0.474 376 G N 1.018 109.715 108.800 -0.173 0.000 2.377 376 G HA2 0.507 4.467 3.960 -0.000 0.000 0.316 376 G HA3 0.507 4.467 3.960 -0.000 0.000 0.316 376 G C -1.332 173.410 174.900 -0.264 0.000 1.115 376 G CA -0.080 44.960 45.100 -0.099 0.000 0.952 376 G HN 0.274 nan 8.290 nan 0.000 0.441 377 Y N 0.559 120.892 120.300 0.054 0.000 2.562 377 Y HA 0.532 5.082 4.550 -0.000 0.000 0.343 377 Y C 1.225 177.150 175.900 0.042 0.000 1.025 377 Y CA -0.779 57.345 58.100 0.040 0.000 1.082 377 Y CB 1.996 40.471 38.460 0.024 0.000 1.264 377 Y HN 0.651 nan 8.280 nan 0.000 0.478 378 T N -1.773 112.930 114.554 0.248 0.000 2.802 378 T HA 0.107 4.457 4.350 -0.000 0.000 0.305 378 T C 0.038 174.815 174.700 0.127 0.000 1.053 378 T CA -0.852 61.344 62.100 0.161 0.000 1.058 378 T CB 0.597 69.543 68.868 0.131 0.000 0.988 378 T HN 0.607 nan 8.240 nan 0.000 0.539 379 E N 0.681 120.950 120.200 0.114 0.000 2.498 379 E HA 0.073 4.423 4.350 -0.000 0.000 0.252 379 E C 0.961 177.595 176.600 0.057 0.000 1.025 379 E CA 0.324 56.775 56.400 0.085 0.000 0.938 379 E CB 0.105 29.880 29.700 0.125 0.000 0.947 379 E HN 0.750 nan 8.360 nan 0.000 0.478 380 S N 2.917 118.634 115.700 0.029 0.000 2.499 380 S HA 0.275 4.745 4.470 -0.000 0.000 0.225 380 S C 1.591 176.201 174.600 0.018 0.000 1.050 380 S CA 0.153 58.356 58.200 0.005 0.000 0.928 380 S CB 0.554 63.729 63.200 -0.043 0.000 0.803 380 S HN 0.902 nan 8.310 nan 0.000 0.506 381 G N 0.919 109.746 108.800 0.045 0.000 2.238 381 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.217 381 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.217 381 G C 0.205 175.161 174.900 0.093 0.000 0.996 381 G CA 0.169 45.313 45.100 0.073 0.000 0.632 381 G HN 0.796 nan 8.290 nan 0.000 0.503 382 S N -0.036 115.700 115.700 0.061 0.000 2.614 382 S HA 0.479 4.949 4.470 -0.000 0.000 0.265 382 S C 1.610 176.304 174.600 0.156 0.000 1.303 382 S CA 0.411 58.644 58.200 0.055 0.000 1.000 382 S CB 0.697 63.888 63.200 -0.016 0.000 0.935 382 S HN 0.263 nan 8.310 nan 0.000 0.551 383 N N 2.598 121.367 118.700 0.115 0.000 2.188 383 N HA -0.121 4.619 4.740 -0.000 0.000 0.184 383 N C 1.250 176.833 175.510 0.121 0.000 1.018 383 N CA 1.508 54.662 53.050 0.173 0.000 0.858 383 N CB -0.789 37.712 38.487 0.023 0.000 0.989 383 N HN 0.809 nan 8.380 nan 0.000 0.426 384 N N 0.697 119.404 118.700 0.012 0.000 2.659 384 N HA -0.172 4.568 4.740 -0.000 0.000 0.194 384 N C 0.557 175.996 175.510 -0.120 0.000 1.140 384 N CA 0.903 53.923 53.050 -0.050 0.000 0.936 384 N CB -0.397 38.047 38.487 -0.071 0.000 0.970 384 N HN 0.425 nan 8.380 nan 0.000 0.449 385 Q N -1.388 118.355 119.800 -0.095 0.000 2.198 385 Q HA 0.171 4.511 4.340 -0.000 0.000 0.209 385 Q C -0.800 175.027 176.000 -0.289 0.000 0.848 385 Q CA -0.158 55.561 55.803 -0.141 0.000 0.974 385 Q CB 0.282 28.930 28.738 -0.149 0.000 1.115 385 Q HN 0.429 nan 8.270 nan 0.000 0.494 386 Y N -0.711 119.437 120.300 -0.252 0.000 2.446 386 Y HA 0.397 4.947 4.550 -0.000 0.000 0.338 386 Y C -0.823 174.855 175.900 -0.370 0.000 1.055 386 Y CA -0.826 57.198 58.100 -0.127 0.000 1.101 386 Y CB 1.229 39.657 38.460 -0.054 0.000 1.221 386 Y HN -0.011 nan 8.280 nan 0.000 0.460 387 W N 0.817 122.330 121.300 0.356 0.000 2.998 387 W HA 0.494 5.154 4.660 -0.000 0.000 0.335 387 W C -0.819 175.934 176.519 0.390 0.000 1.110 387 W CA -1.069 56.468 57.345 0.320 0.000 1.230 387 W CB 1.658 31.314 29.460 0.327 0.000 1.405 387 W HN 0.440 nan 8.180 nan 0.000 0.493 388 T N 0.280 115.120 114.554 0.477 0.000 2.889 388 T HA 0.735 5.085 4.350 -0.000 0.000 0.291 388 T C -0.499 174.378 174.700 0.294 0.000 0.995 388 T CA -0.449 61.896 62.100 0.407 0.000 1.092 388 T CB 0.994 70.012 68.868 0.251 0.000 0.954 388 T HN 0.337 nan 8.240 nan 0.000 0.506 389 I N 2.267 122.968 120.570 0.219 0.000 2.420 389 I HA 0.339 4.509 4.170 -0.000 0.000 0.282 389 I C -0.013 176.115 176.117 0.018 0.000 1.019 389 I CA -0.661 60.540 61.300 -0.166 0.000 1.130 389 I CB 1.441 39.033 38.000 -0.680 0.000 1.262 389 I HN 0.686 nan 8.210 nan 0.000 0.454 390 E N 5.735 125.961 120.200 0.043 0.000 2.166 390 E HA 0.361 4.711 4.350 -0.000 0.000 0.275 390 E C -0.743 175.910 176.600 0.088 0.000 0.941 390 E CA -0.932 55.522 56.400 0.091 0.000 0.784 390 E CB 2.548 32.292 29.700 0.073 0.000 1.115 390 E HN 0.343 nan 8.360 nan 0.000 0.399 391 K N 2.786 123.211 120.400 0.040 0.000 2.205 391 K HA 0.119 4.439 4.320 -0.000 0.000 0.279 391 K C -0.128 176.397 176.600 -0.126 0.000 1.027 391 K CA -0.584 55.573 56.287 -0.217 0.000 0.932 391 K CB 0.529 32.855 32.500 -0.291 0.000 1.032 391 K HN 0.481 nan 8.250 nan 0.000 0.466 392 N N 1.791 120.411 118.700 -0.134 0.000 2.491 392 N HA 0.016 4.756 4.740 -0.000 0.000 0.279 392 N C 0.968 176.449 175.510 -0.048 0.000 1.236 392 N CA -0.547 52.475 53.050 -0.046 0.000 0.982 392 N CB 0.166 38.657 38.487 0.005 0.000 1.194 392 N HN 0.196 nan 8.380 nan 0.000 0.582 393 V N 0.511 120.417 119.914 -0.014 0.000 2.317 393 V HA -0.305 3.815 4.120 -0.000 0.000 0.251 393 V C 1.385 177.472 176.094 -0.012 0.000 1.065 393 V CA 2.300 64.594 62.300 -0.010 0.000 1.049 393 V CB -1.139 30.686 31.823 0.003 0.000 0.651 393 V HN 0.650 nan 8.190 nan 0.000 0.450 394 N N -0.245 118.472 118.700 0.029 0.000 2.463 394 N HA 0.209 4.949 4.740 -0.000 0.000 0.181 394 N C 1.272 176.733 175.510 -0.082 0.000 1.078 394 N CA 0.969 54.058 53.050 0.066 0.000 0.902 394 N CB 0.468 39.112 38.487 0.260 0.000 0.970 394 N HN 0.585 nan 8.380 nan 0.000 0.451 395 G N -0.927 107.770 108.800 -0.172 0.000 2.130 395 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.216 395 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.216 395 G C -0.244 174.269 174.900 -0.646 0.000 0.999 395 G CA -0.399 44.463 45.100 -0.397 0.000 0.686 395 G HN 0.206 nan 8.290 nan 0.000 0.515 396 F N -0.719 119.041 119.950 -0.317 0.000 2.450 396 F HA 0.788 5.315 4.527 -0.000 0.000 0.328 396 F C 0.491 176.051 175.800 -0.400 0.000 1.068 396 F CA -1.121 56.722 58.000 -0.261 0.000 1.007 396 F CB 1.018 39.967 39.000 -0.085 0.000 1.251 396 F HN 0.026 nan 8.300 nan 0.000 0.492 397 Y N 0.865 121.287 120.300 0.203 0.000 2.377 397 Y HA 0.453 5.003 4.550 -0.000 0.000 0.339 397 Y C -0.314 175.636 175.900 0.082 0.000 1.011 397 Y CA -1.152 56.959 58.100 0.018 0.000 1.093 397 Y CB 1.361 39.710 38.460 -0.186 0.000 1.201 397 Y HN 0.209 nan 8.280 nan 0.000 0.455 398 K N 3.505 123.986 120.400 0.136 0.000 2.206 398 K HA 0.418 4.738 4.320 -0.000 0.000 0.264 398 K C -1.500 175.103 176.600 0.005 0.000 0.967 398 K CA -0.635 55.758 56.287 0.176 0.000 0.844 398 K CB 1.645 34.234 32.500 0.149 0.000 1.099 398 K HN 0.496 nan 8.250 nan 0.000 0.441 399 F N 3.163 123.190 119.950 0.129 0.000 2.404 399 F HA 0.333 4.860 4.527 -0.000 0.000 0.354 399 F C 0.914 176.883 175.800 0.281 0.000 1.122 399 F CA -0.696 57.364 58.000 0.101 0.000 1.080 399 F CB 1.170 40.016 39.000 -0.256 0.000 1.131 399 F HN 0.297 nan 8.300 nan 0.000 0.471 400 R N 2.735 123.532 120.500 0.494 0.000 2.621 400 R HA 0.369 4.709 4.340 -0.000 0.000 0.292 400 R C -0.954 175.538 176.300 0.319 0.000 0.969 400 R CA -0.872 55.461 56.100 0.389 0.000 0.887 400 R CB 1.343 31.763 30.300 0.201 0.000 1.180 400 R HN 0.568 nan 8.270 nan 0.000 0.450 401 N N 2.396 121.119 118.700 0.039 0.000 2.458 401 N HA -0.065 4.675 4.740 -0.000 0.000 0.258 401 N C 0.766 176.189 175.510 -0.145 0.000 1.219 401 N CA -0.103 52.704 53.050 -0.405 0.000 0.902 401 N CB 0.955 39.133 38.487 -0.515 0.000 1.076 401 N HN 0.627 nan 8.380 nan 0.000 0.455 402 L N 4.515 125.655 121.223 -0.139 0.000 2.093 402 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 402 L C 2.502 179.359 176.870 -0.021 0.000 1.085 402 L CA 1.784 56.608 54.840 -0.028 0.000 0.755 402 L CB -0.789 41.271 42.059 0.001 0.000 0.904 402 L HN 0.757 nan 8.230 nan 0.000 0.435 403 S N -1.815 113.875 115.700 -0.016 0.000 2.399 403 S HA -0.136 4.334 4.470 -0.000 0.000 0.231 403 S C 0.914 175.552 174.600 0.064 0.000 1.022 403 S CA 0.979 59.198 58.200 0.032 0.000 0.983 403 S CB -0.320 62.917 63.200 0.062 0.000 0.803 403 S HN 0.583 nan 8.310 nan 0.000 0.480 404 D N 1.120 121.557 120.400 0.061 0.000 2.328 404 D HA 0.306 4.946 4.640 -0.000 0.000 0.243 404 D C -2.413 173.886 176.300 -0.001 0.000 1.324 404 D CA -1.916 52.115 54.000 0.051 0.000 0.966 404 D CB 1.882 42.746 40.800 0.107 0.000 1.324 404 D HN 0.029 nan 8.370 nan 0.000 0.549 405 P HA -0.104 nan 4.420 nan 0.000 0.228 405 P C 1.089 178.403 177.300 0.023 0.000 1.151 405 P CA 0.586 63.701 63.100 0.025 0.000 0.770 405 P CB 0.181 31.901 31.700 0.033 0.000 0.786 406 S N -1.914 113.788 115.700 0.005 0.000 2.562 406 S HA 0.042 4.512 4.470 -0.000 0.000 0.221 406 S C 0.941 175.525 174.600 -0.027 0.000 0.975 406 S CA 0.100 58.299 58.200 -0.001 0.000 0.918 406 S CB -0.507 62.693 63.200 -0.000 0.000 0.772 406 S HN -0.063 nan 8.310 nan 0.000 0.531 407 K N 1.734 122.094 120.400 -0.068 0.000 2.281 407 K HA 0.498 4.818 4.320 -0.000 0.000 0.272 407 K C -0.896 175.692 176.600 -0.020 0.000 1.048 407 K CA -0.215 55.986 56.287 -0.144 0.000 0.898 407 K CB 1.245 33.498 32.500 -0.410 0.000 1.128 407 K HN 0.351 nan 8.250 nan 0.000 0.460 408 I N 3.102 123.695 120.570 0.037 0.000 2.441 408 I HA 0.195 4.365 4.170 -0.000 0.000 0.295 408 I C 0.040 176.268 176.117 0.185 0.000 0.994 408 I CA -1.295 60.100 61.300 0.159 0.000 1.144 408 I CB 1.506 39.588 38.000 0.136 0.000 1.314 408 I HN 0.265 nan 8.210 nan 0.000 0.445 409 L N 6.046 127.431 121.223 0.269 0.000 2.462 409 L HA 0.243 4.583 4.340 -0.000 0.000 0.272 409 L C -0.552 176.528 176.870 0.350 0.000 1.166 409 L CA 1.126 56.053 54.840 0.145 0.000 0.880 409 L CB 0.131 42.020 42.059 -0.284 0.000 1.142 409 L HN 0.584 nan 8.230 nan 0.000 0.473 410 D N 3.083 123.655 120.400 0.288 0.000 2.615 410 D HA 0.438 5.078 4.640 -0.000 0.000 0.267 410 D C -1.476 174.956 176.300 0.219 0.000 1.236 410 D CA -0.437 53.716 54.000 0.256 0.000 0.839 410 D CB 1.184 42.051 40.800 0.112 0.000 1.380 410 D HN 0.411 nan 8.370 nan 0.000 0.433 411 L N 1.383 122.664 121.223 0.097 0.000 2.307 411 L HA 0.424 4.764 4.340 -0.000 0.000 0.282 411 L C 0.609 177.499 176.870 0.033 0.000 1.051 411 L CA -0.933 53.946 54.840 0.065 0.000 0.804 411 L CB 1.267 43.322 42.059 -0.007 0.000 1.197 411 L HN 0.336 nan 8.230 nan 0.000 0.431 412 K N 3.190 123.616 120.400 0.044 0.000 2.491 412 K HA -0.097 4.223 4.320 -0.000 0.000 0.279 412 K C -0.053 176.555 176.600 0.014 0.000 1.026 412 K CA 0.250 56.557 56.287 0.033 0.000 1.070 412 K CB 0.186 32.712 32.500 0.043 0.000 0.887 412 K HN 0.671 nan 8.250 nan 0.000 0.481 413 D N 2.937 123.342 120.400 0.008 0.000 3.070 413 D HA -0.224 4.416 4.640 -0.000 0.000 0.220 413 D C 0.624 176.913 176.300 -0.019 0.000 1.176 413 D CA 1.558 55.556 54.000 -0.003 0.000 0.924 413 D CB -1.477 39.324 40.800 0.001 0.000 1.124 413 D HN 1.036 nan 8.370 nan 0.000 0.411 414 G N 0.080 108.863 108.800 -0.028 0.000 2.176 414 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.252 414 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.252 414 G C -0.047 174.819 174.900 -0.057 0.000 1.024 414 G CA 0.283 45.349 45.100 -0.056 0.000 0.755 414 G HN 0.513 nan 8.290 nan 0.000 0.507 415 N N 0.030 118.709 118.700 -0.036 0.000 2.514 415 N HA 0.352 5.092 4.740 -0.000 0.000 0.277 415 N C 1.518 177.005 175.510 -0.038 0.000 1.126 415 N CA 0.610 53.641 53.050 -0.032 0.000 0.978 415 N CB 0.918 39.397 38.487 -0.012 0.000 1.106 415 N HN 0.390 nan 8.380 nan 0.000 0.461 416 T N -1.068 113.459 114.554 -0.045 0.000 3.022 416 T HA 0.084 4.434 4.350 -0.000 0.000 0.250 416 T C 1.043 175.723 174.700 -0.034 0.000 1.060 416 T CA -0.292 61.779 62.100 -0.048 0.000 1.013 416 T CB 0.259 69.089 68.868 -0.063 0.000 0.982 416 T HN 0.189 nan 8.240 nan 0.000 0.508 417 L N 3.238 124.443 121.223 -0.030 0.000 2.516 417 L HA 0.144 4.484 4.340 -0.000 0.000 0.288 417 L C 0.511 177.359 176.870 -0.037 0.000 1.246 417 L CA 0.380 55.200 54.840 -0.033 0.000 0.844 417 L CB -0.453 41.593 42.059 -0.021 0.000 1.106 417 L HN 0.392 nan 8.230 nan 0.000 0.509 418 N N 4.072 122.722 118.700 -0.082 0.000 2.407 418 N HA -0.045 4.695 4.740 -0.000 0.000 0.250 418 N C 0.685 176.179 175.510 -0.027 0.000 1.236 418 N CA 0.315 53.276 53.050 -0.149 0.000 0.879 418 N CB 0.424 38.708 38.487 -0.339 0.000 1.088 418 N HN 0.430 nan 8.380 nan 0.000 0.450 419 K N -1.667 118.778 120.400 0.075 0.000 3.547 419 K HA -0.174 4.146 4.320 -0.000 0.000 0.309 419 K C -0.211 176.451 176.600 0.102 0.000 1.324 419 K CA 1.081 57.458 56.287 0.150 0.000 0.988 419 K CB -1.553 31.032 32.500 0.141 0.000 1.261 419 K HN 0.845 nan 8.250 nan 0.000 0.444 420 T N 0.894 115.492 114.554 0.074 0.000 2.784 420 T HA 0.307 4.657 4.350 -0.000 0.000 0.291 420 T C -2.369 172.379 174.700 0.080 0.000 0.942 420 T CA -1.329 60.809 62.100 0.062 0.000 1.161 420 T CB 0.796 69.687 68.868 0.039 0.000 0.885 420 T HN -0.138 nan 8.240 nan 0.000 0.534 421 P HA 0.164 nan 4.420 nan 0.000 0.266 421 P C -0.243 177.109 177.300 0.086 0.000 1.195 421 P CA -0.632 62.517 63.100 0.081 0.000 0.768 421 P CB 0.339 32.085 31.700 0.077 0.000 0.838 422 L N 3.723 124.994 121.223 0.081 0.000 2.410 422 L HA 0.192 4.532 4.340 -0.000 0.000 0.273 422 L C 0.587 177.501 176.870 0.074 0.000 1.152 422 L CA 0.534 55.417 54.840 0.072 0.000 0.855 422 L CB 0.275 42.322 42.059 -0.019 0.000 1.129 422 L HN 0.223 nan 8.230 nan 0.000 0.463 423 V N 2.061 122.022 119.914 0.079 0.000 3.164 423 V HA 0.732 4.852 4.120 -0.000 0.000 0.313 423 V C -0.626 175.489 176.094 0.034 0.000 1.188 423 V CA -0.939 61.404 62.300 0.071 0.000 1.058 423 V CB 2.029 33.890 31.823 0.063 0.000 1.110 423 V HN 0.332 nan 8.190 nan 0.000 0.453 424 V N 1.607 121.489 119.914 -0.053 0.000 2.581 424 V HA 0.912 5.032 4.120 -0.000 0.000 0.303 424 V C 0.031 176.053 176.094 -0.120 0.000 1.041 424 V CA 0.799 63.011 62.300 -0.148 0.000 0.907 424 V CB 1.894 33.408 31.823 -0.515 0.000 0.994 424 V HN 1.597 nan 8.190 nan 0.000 0.442 425 S N 3.002 118.660 115.700 -0.070 0.000 2.596 425 S HA 0.608 5.078 4.470 -0.000 0.000 0.270 425 S C -0.466 174.117 174.600 -0.029 0.000 1.155 425 S CA -0.229 57.945 58.200 -0.044 0.000 0.827 425 S CB 1.533 64.729 63.200 -0.007 0.000 1.130 425 S HN 1.290 nan 8.310 nan 0.000 0.467 426 S N 0.063 115.750 115.700 -0.021 0.000 2.584 426 S HA 0.339 4.809 4.470 -0.000 0.000 0.270 426 S C 0.070 174.674 174.600 0.006 0.000 1.346 426 S CA -0.530 57.666 58.200 -0.008 0.000 1.018 426 S CB 0.005 63.202 63.200 -0.006 0.000 0.899 426 S HN 0.897 nan 8.310 nan 0.000 0.542 427 E N 0.819 121.026 120.200 0.012 0.000 2.465 427 E HA 0.048 4.398 4.350 -0.000 0.000 0.260 427 E C -0.140 176.464 176.600 0.007 0.000 0.980 427 E CA 0.312 56.723 56.400 0.018 0.000 0.927 427 E CB 0.170 29.883 29.700 0.021 0.000 0.934 427 E HN 0.661 nan 8.360 nan 0.000 0.459 428 N N 0.877 119.579 118.700 0.003 0.000 2.381 428 N HA 0.121 4.861 4.740 -0.000 0.000 0.294 428 N C 0.116 175.614 175.510 -0.020 0.000 1.216 428 N CA -0.362 52.681 53.050 -0.012 0.000 0.803 428 N CB 1.454 39.928 38.487 -0.021 0.000 1.372 428 N HN 0.450 nan 8.380 nan 0.000 0.500 429 S N -0.936 114.747 115.700 -0.029 0.000 2.593 429 S HA 0.001 4.471 4.470 -0.000 0.000 0.217 429 S C 0.743 175.306 174.600 -0.063 0.000 0.966 429 S CA -0.338 57.838 58.200 -0.040 0.000 0.914 429 S CB 0.013 63.193 63.200 -0.034 0.000 0.776 429 S HN 0.403 nan 8.310 nan 0.000 0.523 430 S N 0.904 116.564 115.700 -0.066 0.000 2.580 430 S HA 0.319 4.789 4.470 -0.000 0.000 0.274 430 S C 0.971 175.489 174.600 -0.136 0.000 1.329 430 S CA -0.544 57.601 58.200 -0.093 0.000 1.036 430 S CB 0.853 64.005 63.200 -0.080 0.000 0.919 430 S HN 0.347 nan 8.310 nan 0.000 0.515 431 S N 2.486 118.079 115.700 -0.179 0.000 2.562 431 S HA -0.032 4.438 4.470 -0.000 0.000 0.221 431 S C 1.889 176.295 174.600 -0.324 0.000 0.975 431 S CA 0.670 58.712 58.200 -0.263 0.000 0.918 431 S CB -0.173 62.860 63.200 -0.277 0.000 0.772 431 S HN 0.882 nan 8.310 nan 0.000 0.531 432 S N 1.990 117.527 115.700 -0.272 0.000 2.515 432 S HA -0.120 4.350 4.470 -0.000 0.000 0.231 432 S C 1.543 175.900 174.600 -0.405 0.000 0.987 432 S CA 0.353 58.349 58.200 -0.341 0.000 0.936 432 S CB -0.387 62.686 63.200 -0.212 0.000 0.766 432 S HN 0.782 nan 8.310 nan 0.000 0.528 433 Q N 0.410 120.061 119.800 -0.248 0.000 2.247 433 Q HA 0.323 4.663 4.340 -0.000 0.000 0.204 433 Q C -0.424 175.541 176.000 -0.059 0.000 0.872 433 Q CA -0.258 55.504 55.803 -0.069 0.000 0.951 433 Q CB -0.019 28.760 28.738 0.068 0.000 1.099 433 Q HN 0.540 nan 8.270 nan 0.000 0.501 434 E N 0.705 120.724 120.200 -0.302 0.000 2.191 434 E HA 0.342 4.692 4.350 -0.000 0.000 0.278 434 E C -1.480 174.959 176.600 -0.269 0.000 0.972 434 E CA -0.518 55.784 56.400 -0.164 0.000 0.804 434 E CB 0.794 30.317 29.700 -0.295 0.000 1.110 434 E HN 0.172 nan 8.360 nan 0.000 0.394 435 W N 2.007 123.428 121.300 0.201 0.000 3.031 435 W HA 0.451 5.111 4.660 -0.000 0.000 0.337 435 W C -0.920 175.831 176.519 0.387 0.000 1.187 435 W CA -0.644 56.859 57.345 0.263 0.000 1.166 435 W CB 0.892 30.523 29.460 0.286 0.000 1.437 435 W HN 0.253 nan 8.180 nan 0.000 0.551 436 L N 4.006 125.571 121.223 0.570 0.000 2.295 436 L HA 0.472 4.812 4.340 -0.000 0.000 0.285 436 L C -0.330 176.730 176.870 0.317 0.000 1.035 436 L CA -0.966 54.129 54.840 0.425 0.000 0.806 436 L CB 0.720 42.962 42.059 0.305 0.000 1.214 436 L HN 0.173 nan 8.230 nan 0.000 0.426 437 I N 2.912 123.599 120.570 0.195 0.000 2.310 437 I HA 0.261 4.431 4.170 -0.000 0.000 0.287 437 I C 0.102 176.277 176.117 0.097 0.000 1.073 437 I CA -0.132 61.154 61.300 -0.023 0.000 1.216 437 I CB 0.740 38.442 38.000 -0.497 0.000 1.415 437 I HN 0.697 nan 8.210 nan 0.000 0.480 438 E N 5.185 125.511 120.200 0.210 0.000 2.134 438 E HA 0.236 4.586 4.350 -0.000 0.000 0.278 438 E C -0.315 176.455 176.600 0.284 0.000 0.959 438 E CA -0.884 55.650 56.400 0.223 0.000 0.783 438 E CB 1.351 31.139 29.700 0.146 0.000 1.095 438 E HN 0.350 nan 8.360 nan 0.000 0.399 439 K N 3.163 123.690 120.400 0.212 0.000 2.412 439 K HA 0.039 4.359 4.320 -0.000 0.000 0.281 439 K C -0.604 175.890 176.600 -0.177 0.000 1.027 439 K CA -0.079 56.138 56.287 -0.118 0.000 0.989 439 K CB 0.541 32.921 32.500 -0.201 0.000 0.935 439 K HN 0.505 nan 8.250 nan 0.000 0.475 440 T N 2.003 116.388 114.554 -0.282 0.000 2.919 440 T HA 0.216 4.566 4.350 -0.000 0.000 0.302 440 T C -0.152 174.255 174.700 -0.488 0.000 1.031 440 T CA -0.749 61.138 62.100 -0.355 0.000 1.127 440 T CB 0.555 69.253 68.868 -0.283 0.000 0.952 440 T HN 0.650 nan 8.240 nan 0.000 0.540 441 N N 1.423 119.724 118.700 -0.665 0.000 2.425 441 N HA 0.346 5.086 4.740 -0.000 0.000 0.289 441 N C -1.129 174.074 175.510 -0.512 0.000 1.074 441 N CA -0.782 51.998 53.050 -0.450 0.000 0.905 441 N CB 1.177 39.557 38.487 -0.178 0.000 1.586 441 N HN 0.647 nan 8.380 nan 0.000 0.490 442 Y N 0.880 121.237 120.300 0.095 0.000 2.638 442 Y HA 0.336 4.886 4.550 -0.000 0.000 0.275 442 Y C 0.851 176.836 175.900 0.142 0.000 1.122 442 Y CA -0.174 58.023 58.100 0.160 0.000 1.266 442 Y CB 0.275 38.865 38.460 0.216 0.000 1.317 442 Y HN 0.498 nan 8.280 nan 0.000 0.501 443 Q N 1.405 121.236 119.800 0.052 0.000 2.664 443 Q HA 0.074 4.414 4.340 -0.000 0.000 0.223 443 Q C 0.675 176.692 176.000 0.029 0.000 1.298 443 Q CA 0.071 55.703 55.803 -0.285 0.000 0.965 443 Q CB 0.400 28.751 28.738 -0.646 0.000 1.510 443 Q HN 0.258 nan 8.270 nan 0.000 0.567 444 T N 0.770 115.426 114.554 0.170 0.000 3.044 444 T HA 0.086 4.436 4.350 -0.000 0.000 0.255 444 T C 0.238 174.970 174.700 0.054 0.000 1.073 444 T CA 0.671 62.840 62.100 0.116 0.000 1.125 444 T CB 0.423 69.391 68.868 0.166 0.000 0.908 444 T HN 0.458 nan 8.240 nan 0.000 0.480 445 V N -0.138 119.774 119.914 -0.004 0.000 2.735 445 V HA 0.628 4.748 4.120 -0.000 0.000 0.310 445 V C -0.442 175.710 176.094 0.098 0.000 1.061 445 V CA -1.577 60.668 62.300 -0.092 0.000 0.913 445 V CB 1.877 33.388 31.823 -0.519 0.000 1.005 445 V HN 0.054 nan 8.190 nan 0.000 0.428 446 K N 2.013 122.516 120.400 0.172 0.000 2.355 446 K HA 0.128 4.448 4.320 -0.000 0.000 0.270 446 K C -0.199 176.608 176.600 0.345 0.000 1.003 446 K CA -0.231 56.200 56.287 0.240 0.000 0.957 446 K CB 0.368 32.993 32.500 0.209 0.000 0.939 446 K HN 0.887 nan 8.250 nan 0.000 0.482 447 D N 1.636 122.226 120.400 0.317 0.000 2.493 447 D HA 0.223 4.863 4.640 -0.000 0.000 0.240 447 D C 0.379 176.860 176.300 0.302 0.000 1.142 447 D CA 1.118 55.318 54.000 0.333 0.000 0.872 447 D CB 1.023 41.979 40.800 0.260 0.000 1.173 447 D HN 0.737 nan 8.370 nan 0.000 0.467 448 G N 0.755 109.765 108.800 0.350 0.000 2.351 448 G HA2 0.309 4.269 3.960 -0.000 0.000 0.279 448 G HA3 0.309 4.269 3.960 -0.000 0.000 0.279 448 G C -0.975 174.041 174.900 0.194 0.000 1.297 448 G CA -0.363 44.851 45.100 0.190 0.000 0.886 448 G HN 0.493 nan 8.290 nan 0.000 0.493 449 T N -1.452 113.087 114.554 -0.026 0.000 2.837 449 T HA 0.752 5.102 4.350 -0.000 0.000 0.285 449 T C -0.955 173.646 174.700 -0.166 0.000 0.984 449 T CA -0.270 61.861 62.100 0.051 0.000 1.049 449 T CB 1.353 70.290 68.868 0.115 0.000 0.947 449 T HN 0.605 nan 8.240 nan 0.000 0.472 450 Y N -0.172 120.223 120.300 0.157 0.000 2.562 450 Y HA 0.432 4.982 4.550 -0.000 0.000 0.345 450 Y C 0.117 176.110 175.900 0.154 0.000 1.045 450 Y CA -1.355 56.831 58.100 0.144 0.000 1.028 450 Y CB 2.250 40.747 38.460 0.061 0.000 1.297 450 Y HN 0.563 nan 8.280 nan 0.000 0.463 451 Q N 1.493 121.478 119.800 0.308 0.000 2.245 451 Q HA 0.649 4.989 4.340 -0.000 0.000 0.256 451 Q C -1.320 174.809 176.000 0.215 0.000 0.942 451 Q CA -1.010 54.931 55.803 0.230 0.000 0.896 451 Q CB 2.703 31.534 28.738 0.154 0.000 1.272 451 Q HN 0.403 nan 8.270 nan 0.000 0.442 452 V N 2.027 122.040 119.914 0.165 0.000 2.409 452 V HA 0.459 4.579 4.120 -0.000 0.000 0.291 452 V C -0.267 175.938 176.094 0.186 0.000 1.020 452 V CA -0.482 61.863 62.300 0.075 0.000 0.848 452 V CB 1.375 33.072 31.823 -0.210 0.000 0.990 452 V HN 0.905 nan 8.190 nan 0.000 0.430 453 S N 2.568 118.442 115.700 0.290 0.000 2.632 453 S HA 0.723 5.193 4.470 -0.000 0.000 0.289 453 S C -0.397 174.415 174.600 0.353 0.000 1.115 453 S CA -0.707 57.685 58.200 0.320 0.000 0.889 453 S CB 1.928 65.243 63.200 0.193 0.000 1.116 453 S HN 0.707 nan 8.310 nan 0.000 0.486 454 S N 0.081 115.869 115.700 0.146 0.000 2.565 454 S HA 0.307 4.777 4.470 -0.000 0.000 0.274 454 S C 1.001 175.496 174.600 -0.175 0.000 1.309 454 S CA -0.491 57.555 58.200 -0.257 0.000 1.043 454 S CB 0.986 63.973 63.200 -0.355 0.000 0.939 454 S HN 0.815 nan 8.310 nan 0.000 0.504 455 K N 3.677 123.918 120.400 -0.264 0.000 2.211 455 K HA 0.019 4.339 4.320 -0.000 0.000 0.204 455 K C 1.639 178.161 176.600 -0.129 0.000 1.047 455 K CA 1.561 57.754 56.287 -0.157 0.000 0.935 455 K CB -0.645 31.751 32.500 -0.174 0.000 0.728 455 K HN 0.749 nan 8.250 nan 0.000 0.452 456 L N -0.110 121.014 121.223 -0.165 0.000 2.131 456 L HA -0.090 4.250 4.340 -0.000 0.000 0.210 456 L C 0.564 177.387 176.870 -0.078 0.000 1.092 456 L CA 0.822 55.591 54.840 -0.119 0.000 0.759 456 L CB -0.150 41.829 42.059 -0.133 0.000 0.903 456 L HN 0.255 nan 8.230 nan 0.000 0.435 457 N N -0.797 117.864 118.700 -0.065 0.000 2.905 457 N HA -0.025 4.715 4.740 -0.000 0.000 0.255 457 N C 0.124 175.634 175.510 -0.001 0.000 1.199 457 N CA -0.098 52.934 53.050 -0.031 0.000 0.911 457 N CB 1.120 39.588 38.487 -0.032 0.000 1.550 457 N HN 0.233 nan 8.380 nan 0.000 0.599 458 E N 1.479 121.688 120.200 0.015 0.000 2.478 458 E HA 0.017 4.367 4.350 -0.000 0.000 0.198 458 E C -0.074 176.566 176.600 0.068 0.000 1.046 458 E CA 0.674 57.103 56.400 0.049 0.000 0.870 458 E CB 0.045 29.775 29.700 0.050 0.000 0.818 458 E HN 0.410 nan 8.360 nan 0.000 0.527 459 N N 0.707 119.437 118.700 0.050 0.000 2.336 459 N HA 0.016 4.756 4.740 -0.000 0.000 0.189 459 N C -0.503 175.049 175.510 0.069 0.000 1.113 459 N CA 0.158 53.244 53.050 0.059 0.000 0.858 459 N CB 0.399 38.908 38.487 0.038 0.000 0.970 459 N HN 0.014 nan 8.380 nan 0.000 0.471 460 K N 2.054 122.496 120.400 0.071 0.000 2.299 460 K HA 0.228 4.548 4.320 -0.000 0.000 0.268 460 K C 0.056 176.753 176.600 0.162 0.000 1.075 460 K CA -0.365 55.977 56.287 0.091 0.000 0.936 460 K CB 1.338 33.866 32.500 0.047 0.000 1.228 460 K HN -0.111 nan 8.250 nan 0.000 0.454 461 V N 0.122 120.151 119.914 0.191 0.000 2.834 461 V HA 0.533 4.653 4.120 -0.000 0.000 0.313 461 V C 0.466 176.718 176.094 0.263 0.000 1.060 461 V CA -1.156 61.277 62.300 0.222 0.000 0.989 461 V CB 1.208 33.144 31.823 0.189 0.000 1.041 461 V HN 0.517 nan 8.190 nan 0.000 0.459 462 I N 2.620 123.336 120.570 0.243 0.000 2.436 462 I HA 0.314 4.484 4.170 -0.000 0.000 0.289 462 I C 0.451 176.843 176.117 0.459 0.000 1.083 462 I CA 0.508 61.946 61.300 0.231 0.000 1.372 462 I CB 0.386 38.319 38.000 -0.111 0.000 1.408 462 I HN 0.857 nan 8.210 nan 0.000 0.516 463 E N 7.087 127.529 120.200 0.405 0.000 2.199 463 E HA 0.222 4.572 4.350 -0.000 0.000 0.269 463 E C -0.948 175.787 176.600 0.224 0.000 0.899 463 E CA -0.760 55.824 56.400 0.308 0.000 0.772 463 E CB 1.517 31.373 29.700 0.262 0.000 1.155 463 E HN 0.500 nan 8.360 nan 0.000 0.408 464 Q N 4.965 124.815 119.800 0.084 0.000 2.349 464 Q HA 0.302 4.642 4.340 -0.000 0.000 0.254 464 Q C -0.914 175.012 176.000 -0.123 0.000 0.980 464 Q CA -0.357 55.447 55.803 0.001 0.000 0.924 464 Q CB 0.802 29.469 28.738 -0.118 0.000 1.209 464 Q HN 0.623 nan 8.270 nan 0.000 0.445 465 I N 3.027 123.468 120.570 -0.215 0.000 2.525 465 I HA 0.205 4.375 4.170 -0.000 0.000 0.301 465 I C 0.574 176.581 176.117 -0.185 0.000 0.992 465 I CA 0.335 61.499 61.300 -0.227 0.000 1.162 465 I CB 1.112 38.906 38.000 -0.343 0.000 1.332 465 I HN 1.066 nan 8.210 nan 0.000 0.458 466 S N 3.457 119.064 115.700 -0.155 0.000 4.046 466 S HA -0.389 4.081 4.470 -0.000 0.000 0.572 466 S C 0.978 175.369 174.600 -0.348 0.000 2.022 466 S CA 1.874 59.952 58.200 -0.204 0.000 4.201 466 S CB -2.031 61.061 63.200 -0.180 0.000 0.438 466 S HN 0.995 nan 8.310 nan 0.000 0.618 467 T N -0.637 113.640 114.554 -0.463 0.000 3.098 467 T HA 0.221 4.571 4.350 -0.000 0.000 0.246 467 T C 1.292 175.702 174.700 -0.483 0.000 0.983 467 T CA 0.786 62.410 62.100 -0.794 0.000 1.094 467 T CB -0.866 67.282 68.868 -1.200 0.000 1.035 467 T HN 0.845 nan 8.240 nan 0.000 0.456 468 N N 1.085 119.649 118.700 -0.228 0.000 2.446 468 N HA 0.128 4.868 4.740 -0.000 0.000 0.179 468 N C 0.375 175.884 175.510 -0.002 0.000 1.054 468 N CA 0.233 53.269 53.050 -0.023 0.000 0.905 468 N CB -0.111 38.389 38.487 0.022 0.000 0.973 468 N HN 0.410 nan 8.380 nan 0.000 0.448 469 K N 0.663 121.027 120.400 -0.060 0.000 2.159 469 K HA 0.457 4.777 4.320 -0.000 0.000 0.266 469 K C -1.055 175.506 176.600 -0.066 0.000 0.975 469 K CA -0.836 55.418 56.287 -0.055 0.000 0.865 469 K CB 1.486 33.929 32.500 -0.095 0.000 1.087 469 K HN 0.016 nan 8.250 nan 0.000 0.446 470 V N 1.266 121.169 119.914 -0.017 0.000 2.823 470 V HA 0.691 4.811 4.120 -0.000 0.000 0.312 470 V C -0.883 175.247 176.094 0.060 0.000 1.072 470 V CA -0.594 61.717 62.300 0.017 0.000 0.937 470 V CB 1.464 33.353 31.823 0.110 0.000 1.013 470 V HN 1.080 nan 8.190 nan 0.000 0.430 471 H N 2.012 121.173 119.070 0.152 0.000 2.960 471 H HA 0.711 5.267 4.556 -0.000 0.000 0.323 471 H C -1.470 173.984 175.328 0.210 0.000 1.326 471 H CA -1.229 54.920 56.048 0.168 0.000 1.124 471 H CB 2.269 32.141 29.762 0.183 0.000 1.853 471 H HN 0.727 nan 8.280 nan 0.000 0.536 472 I N 1.161 121.937 120.570 0.344 0.000 2.519 472 I HA 0.324 4.494 4.170 -0.000 0.000 0.287 472 I C -1.245 174.997 176.117 0.209 0.000 1.047 472 I CA 0.207 61.659 61.300 0.254 0.000 1.381 472 I CB 0.137 38.233 38.000 0.160 0.000 1.417 472 I HN 0.473 nan 8.210 nan 0.000 0.540 473 F N 3.959 123.943 119.950 0.057 0.000 2.654 473 F HA 0.372 4.899 4.527 -0.000 0.000 0.308 473 F C 0.103 175.921 175.800 0.031 0.000 1.108 473 F CA -0.626 57.372 58.000 -0.003 0.000 0.957 473 F CB 1.731 40.738 39.000 0.011 0.000 1.309 473 F HN 0.275 nan 8.300 nan 0.000 0.446 474 S N 2.273 117.991 115.700 0.031 0.000 2.552 474 S HA -0.011 4.459 4.470 -0.000 0.000 0.289 474 S C -0.325 174.395 174.600 0.200 0.000 1.304 474 S CA -0.088 58.163 58.200 0.086 0.000 1.063 474 S CB 0.053 63.260 63.200 0.011 0.000 0.848 474 S HN 0.565 nan 8.310 nan 0.000 0.499 475 N N 1.286 120.067 118.700 0.134 0.000 2.492 475 N HA 0.091 4.831 4.740 -0.000 0.000 0.262 475 N C 0.347 175.921 175.510 0.108 0.000 1.202 475 N CA 0.196 53.319 53.050 0.122 0.000 0.926 475 N CB 0.493 39.042 38.487 0.102 0.000 1.078 475 N HN 0.485 nan 8.380 nan 0.000 0.454 476 S N 1.057 116.812 115.700 0.091 0.000 3.082 476 S HA 0.187 4.657 4.470 -0.000 0.000 0.253 476 S C -0.678 173.968 174.600 0.077 0.000 0.961 476 S CA -0.549 57.698 58.200 0.078 0.000 1.129 476 S CB -0.097 63.146 63.200 0.072 0.000 1.083 476 S HN 0.661 nan 8.310 nan 0.000 0.605 477 D N 1.875 122.309 120.400 0.057 0.000 2.907 477 D HA -0.127 4.513 4.640 -0.000 0.000 0.226 477 D C -0.197 176.156 176.300 0.087 0.000 1.141 477 D CA 1.130 55.163 54.000 0.054 0.000 0.779 477 D CB -1.278 39.683 40.800 0.268 0.000 1.095 477 D HN 0.781 nan 8.370 nan 0.000 0.430 478 K N 0.095 120.504 120.400 0.014 0.000 2.087 478 K HA 0.469 4.789 4.320 -0.000 0.000 0.255 478 K C 1.093 177.706 176.600 0.021 0.000 0.988 478 K CA -0.754 55.548 56.287 0.026 0.000 0.915 478 K CB 1.686 34.135 32.500 -0.084 0.000 1.043 478 K HN -0.182 nan 8.250 nan 0.000 0.457 479 E N 1.047 121.222 120.200 -0.041 0.000 2.086 479 E HA -0.261 4.089 4.350 -0.000 0.000 0.200 479 E C 1.282 177.730 176.600 -0.253 0.000 1.012 479 E CA 1.929 58.243 56.400 -0.143 0.000 0.812 479 E CB -0.129 29.380 29.700 -0.318 0.000 0.743 479 E HN 0.704 nan 8.360 nan 0.000 0.453 480 N N 0.523 119.055 118.700 -0.279 0.000 2.575 480 N HA -0.144 4.596 4.740 -0.000 0.000 0.192 480 N C 0.603 175.927 175.510 -0.309 0.000 1.200 480 N CA 0.661 53.511 53.050 -0.333 0.000 0.897 480 N CB 0.070 38.410 38.487 -0.245 0.000 0.990 480 N HN 0.277 nan 8.380 nan 0.000 0.449 481 Q N -0.305 119.346 119.800 -0.247 0.000 2.159 481 Q HA 0.302 4.642 4.340 -0.000 0.000 0.217 481 Q C -0.763 175.112 176.000 -0.209 0.000 0.818 481 Q CA -0.144 55.574 55.803 -0.141 0.000 1.008 481 Q CB 1.493 30.195 28.738 -0.060 0.000 1.148 481 Q HN 0.114 nan 8.270 nan 0.000 0.491 482 V N 0.552 120.237 119.914 -0.381 0.000 2.604 482 V HA 0.430 4.550 4.120 -0.000 0.000 0.305 482 V C -1.224 174.644 176.094 -0.377 0.000 1.043 482 V CA -0.742 61.397 62.300 -0.269 0.000 0.888 482 V CB 1.302 32.998 31.823 -0.212 0.000 0.995 482 V HN 0.195 nan 8.190 nan 0.000 0.429 483 W N 1.981 123.296 121.300 0.026 0.000 2.736 483 W HA 0.537 5.197 4.660 -0.000 0.000 0.335 483 W C 0.000 176.585 176.519 0.110 0.000 1.059 483 W CA -0.512 56.859 57.345 0.043 0.000 1.226 483 W CB 1.312 30.765 29.460 -0.012 0.000 1.416 483 W HN 0.386 nan 8.180 nan 0.000 0.505 484 N N 2.086 120.980 118.700 0.324 0.000 2.414 484 N HA 0.354 5.094 4.740 -0.000 0.000 0.256 484 N C -1.517 174.168 175.510 0.292 0.000 1.029 484 N CA -0.304 52.912 53.050 0.278 0.000 0.948 484 N CB 0.603 39.209 38.487 0.199 0.000 1.102 484 N HN 0.248 nan 8.380 nan 0.000 0.496 485 L N 4.260 125.671 121.223 0.313 0.000 2.257 485 L HA 0.513 4.853 4.340 -0.000 0.000 0.290 485 L C -0.061 177.033 176.870 0.373 0.000 1.044 485 L CA -0.295 54.705 54.840 0.266 0.000 0.810 485 L CB 0.744 42.826 42.059 0.039 0.000 1.193 485 L HN 0.501 nan 8.230 nan 0.000 0.425 486 I N 3.270 124.074 120.570 0.390 0.000 2.447 486 I HA 0.349 4.519 4.170 -0.000 0.000 0.287 486 I C -1.231 175.072 176.117 0.309 0.000 1.023 486 I CA -0.841 60.663 61.300 0.339 0.000 1.083 486 I CB 1.217 39.346 38.000 0.216 0.000 1.245 486 I HN 0.494 nan 8.210 nan 0.000 0.434 487 Y N 7.997 128.314 120.300 0.028 0.000 2.377 487 Y HA 0.279 4.829 4.550 -0.000 0.000 0.330 487 Y C -0.075 175.722 175.900 -0.171 0.000 1.108 487 Y CA -0.026 57.850 58.100 -0.374 0.000 1.308 487 Y CB 0.554 38.773 38.460 -0.402 0.000 1.216 487 Y HN 0.608 nan 8.280 nan 0.000 0.518 488 N N 7.987 126.278 118.700 -0.682 0.000 2.457 488 N HA 0.267 5.007 4.740 -0.000 0.000 0.250 488 N C -2.363 172.539 175.510 -1.014 0.000 0.982 488 N CA -2.307 50.374 53.050 -0.614 0.000 0.941 488 N CB 1.722 39.936 38.487 -0.455 0.000 1.120 488 N HN 0.375 nan 8.380 nan 0.000 0.505 489 P HA 0.005 nan 4.420 nan 0.000 0.226 489 P C 1.298 178.333 177.300 -0.442 0.000 1.153 489 P CA 0.500 63.254 63.100 -0.576 0.000 0.777 489 P CB 0.480 32.047 31.700 -0.222 0.000 0.794 490 I N -1.644 118.671 120.570 -0.424 0.000 2.339 490 I HA -0.061 4.109 4.170 -0.000 0.000 0.245 490 I C 1.910 177.781 176.117 -0.410 0.000 1.096 490 I CA 1.060 62.148 61.300 -0.353 0.000 1.408 490 I CB -1.560 36.260 38.000 -0.300 0.000 1.092 490 I HN -0.052 nan 8.210 nan 0.000 0.423 491 L N 1.135 122.017 121.223 -0.568 0.000 2.395 491 L HA 0.038 4.378 4.340 -0.000 0.000 0.218 491 L C 0.895 177.443 176.870 -0.536 0.000 1.130 491 L CA 0.603 55.042 54.840 -0.669 0.000 0.826 491 L CB -0.476 40.905 42.059 -1.131 0.000 0.941 491 L HN 0.245 nan 8.230 nan 0.000 0.451 492 K N -1.307 118.742 120.400 -0.585 0.000 3.035 492 K HA -0.198 4.122 4.320 -0.000 0.000 0.262 492 K C 0.138 176.630 176.600 -0.180 0.000 1.024 492 K CA 0.864 56.902 56.287 -0.415 0.000 0.748 492 K CB -2.506 29.711 32.500 -0.472 0.000 1.247 492 K HN 0.324 nan 8.250 nan 0.000 0.482 493 A N -0.181 122.418 122.820 -0.369 0.000 2.569 493 A HA 0.796 5.116 4.320 -0.000 0.000 0.290 493 A C -1.379 176.187 177.584 -0.030 0.000 1.136 493 A CA -0.868 51.144 52.037 -0.042 0.000 0.710 493 A CB 1.031 20.005 19.000 -0.044 0.000 1.303 493 A HN 0.169 nan 8.150 nan 0.000 0.413 494 Y N 0.254 120.733 120.300 0.298 0.000 2.387 494 Y HA 0.567 5.117 4.550 -0.000 0.000 0.336 494 Y C 0.386 176.434 175.900 0.246 0.000 1.067 494 Y CA -0.372 57.901 58.100 0.288 0.000 1.114 494 Y CB 1.907 40.499 38.460 0.220 0.000 1.208 494 Y HN 0.650 nan 8.280 nan 0.000 0.458 495 K N 3.145 123.693 120.400 0.247 0.000 2.234 495 K HA 0.488 4.808 4.320 -0.000 0.000 0.282 495 K C -1.220 175.490 176.600 0.182 0.000 1.039 495 K CA -0.003 56.302 56.287 0.031 0.000 0.928 495 K CB 0.367 32.786 32.500 -0.135 0.000 1.039 495 K HN 0.587 nan 8.250 nan 0.000 0.470 496 I N 5.412 126.082 120.570 0.166 0.000 2.347 496 I HA 0.217 4.387 4.170 -0.000 0.000 0.283 496 I C -0.406 175.867 176.117 0.260 0.000 1.058 496 I CA -0.617 60.742 61.300 0.099 0.000 1.202 496 I CB 0.978 38.831 38.000 -0.245 0.000 1.386 496 I HN 0.364 nan 8.210 nan 0.000 0.475 497 K N 4.137 124.750 120.400 0.355 0.000 2.206 497 K HA 0.362 4.682 4.320 -0.000 0.000 0.264 497 K C 0.078 176.903 176.600 0.376 0.000 0.967 497 K CA -0.578 55.923 56.287 0.358 0.000 0.844 497 K CB 2.075 34.702 32.500 0.211 0.000 1.099 497 K HN 0.489 nan 8.250 nan 0.000 0.441 498 S N 2.398 118.238 115.700 0.232 0.000 2.558 498 S HA -0.043 4.427 4.470 -0.000 0.000 0.291 498 S C 1.027 175.524 174.600 -0.171 0.000 1.306 498 S CA -0.428 57.607 58.200 -0.275 0.000 1.056 498 S CB 0.342 63.446 63.200 -0.160 0.000 0.836 498 S HN 0.596 nan 8.310 nan 0.000 0.504 499 L N 4.480 125.517 121.223 -0.309 0.000 2.095 499 L HA 0.247 4.587 4.340 -0.000 0.000 0.204 499 L C 2.336 179.054 176.870 -0.253 0.000 1.080 499 L CA 1.727 56.456 54.840 -0.186 0.000 0.759 499 L CB -0.633 41.342 42.059 -0.141 0.000 0.914 499 L HN 0.814 nan 8.230 nan 0.000 0.439 500 K N -1.151 119.001 120.400 -0.414 0.000 2.097 500 K HA -0.099 4.221 4.320 -0.000 0.000 0.205 500 K C -0.456 175.656 176.600 -0.814 0.000 1.050 500 K CA 1.188 57.069 56.287 -0.676 0.000 0.938 500 K CB 0.036 31.991 32.500 -0.909 0.000 0.718 500 K HN 0.268 nan 8.250 nan 0.000 0.442 501 Y N -0.619 119.623 120.300 -0.097 0.000 2.681 501 Y HA 0.285 4.835 4.550 -0.000 0.000 0.347 501 Y C -2.188 173.784 175.900 0.120 0.000 1.029 501 Y CA -2.782 55.327 58.100 0.015 0.000 1.279 501 Y CB 1.485 39.913 38.460 -0.054 0.000 1.096 501 Y HN 0.043 nan 8.280 nan 0.000 0.580 502 P HA -0.126 nan 4.420 nan 0.000 0.218 502 P C 0.944 178.338 177.300 0.156 0.000 1.148 502 P CA 1.404 64.586 63.100 0.136 0.000 0.822 502 P CB 0.482 32.229 31.700 0.080 0.000 0.784 503 N N -1.691 117.115 118.700 0.176 0.000 2.443 503 N HA -0.117 4.623 4.740 -0.000 0.000 0.184 503 N C 0.109 175.580 175.510 -0.066 0.000 1.037 503 N CA 0.850 53.920 53.050 0.034 0.000 0.896 503 N CB -0.545 37.916 38.487 -0.044 0.000 0.959 503 N HN 0.338 nan 8.380 nan 0.000 0.442 504 Y N 0.055 120.421 120.300 0.110 0.000 2.341 504 Y HA 0.366 4.916 4.550 -0.000 0.000 0.337 504 Y C 0.546 176.549 175.900 0.171 0.000 1.014 504 Y CA -0.905 57.269 58.100 0.124 0.000 1.111 504 Y CB 1.395 39.926 38.460 0.118 0.000 1.194 504 Y HN -0.162 nan 8.280 nan 0.000 0.462 505 S N 2.306 118.179 115.700 0.288 0.000 2.599 505 S HA 0.568 5.038 4.470 -0.000 0.000 0.287 505 S C -1.267 173.505 174.600 0.287 0.000 1.105 505 S CA -1.022 57.351 58.200 0.287 0.000 0.899 505 S CB 1.719 65.018 63.200 0.165 0.000 1.100 505 S HN 0.516 nan 8.310 nan 0.000 0.482 506 L N 1.975 123.336 121.223 0.230 0.000 2.462 506 L HA 0.566 4.906 4.340 -0.000 0.000 0.272 506 L C 0.191 177.310 176.870 0.416 0.000 1.166 506 L CA 0.857 55.768 54.840 0.119 0.000 0.880 506 L CB -0.051 41.785 42.059 -0.371 0.000 1.142 506 L HN 1.052 nan 8.230 nan 0.000 0.473 507 A N 4.662 127.713 122.820 0.385 0.000 2.515 507 A HA 0.560 4.880 4.320 -0.000 0.000 0.296 507 A C -1.971 175.892 177.584 0.466 0.000 1.094 507 A CA -0.642 51.645 52.037 0.416 0.000 0.718 507 A CB 0.712 19.835 19.000 0.205 0.000 1.307 507 A HN 0.695 nan 8.150 nan 0.000 0.408 508 W N 1.674 123.087 121.300 0.188 0.000 2.335 508 W HA 0.516 5.176 4.660 -0.000 0.000 0.307 508 W C -0.612 175.941 176.519 0.056 0.000 1.117 508 W CA -0.633 56.798 57.345 0.143 0.000 1.228 508 W CB 1.154 30.673 29.460 0.098 0.000 1.240 508 W HN 0.683 nan 8.180 nan 0.000 0.468 509 D N 3.439 123.713 120.400 -0.210 0.000 2.671 509 D HA -0.027 4.613 4.640 -0.000 0.000 0.228 509 D C 1.706 177.545 176.300 -0.769 0.000 1.102 509 D CA 0.670 54.455 54.000 -0.358 0.000 1.044 509 D CB 0.163 40.886 40.800 -0.129 0.000 1.113 509 D HN 0.353 nan 8.370 nan 0.000 0.480 510 S N 1.498 116.450 115.700 -1.247 0.000 2.383 510 S HA -0.205 4.265 4.470 -0.000 0.000 0.229 510 S C 1.572 175.730 174.600 -0.736 0.000 1.030 510 S CA 0.700 57.889 58.200 -1.685 0.000 1.002 510 S CB -0.103 62.189 63.200 -1.513 0.000 0.829 510 S HN 0.435 nan 8.310 nan 0.000 0.467 511 N N 1.420 119.842 118.700 -0.464 0.000 2.424 511 N HA 0.125 4.865 4.740 -0.000 0.000 0.178 511 N C 1.085 176.488 175.510 -0.179 0.000 1.060 511 N CA 0.668 53.561 53.050 -0.261 0.000 0.901 511 N CB -0.050 38.312 38.487 -0.209 0.000 0.979 511 N HN 0.529 nan 8.380 nan 0.000 0.451 512 N N -0.283 118.307 118.700 -0.184 0.000 3.192 512 N HA -0.031 4.709 4.740 -0.000 0.000 0.177 512 N C 1.241 176.717 175.510 -0.056 0.000 1.460 512 N CA 1.218 54.209 53.050 -0.098 0.000 1.146 512 N CB -0.451 37.990 38.487 -0.078 0.000 1.095 512 N HN -0.060 nan 8.380 nan 0.000 0.559 513 T N -0.579 113.954 114.554 -0.035 0.000 3.113 513 T HA 0.096 4.446 4.350 -0.000 0.000 0.263 513 T C 0.344 175.098 174.700 0.091 0.000 1.143 513 T CA 0.446 62.566 62.100 0.032 0.000 1.090 513 T CB -0.326 68.570 68.868 0.047 0.000 0.922 513 T HN 0.445 nan 8.240 nan 0.000 0.521 514 R N 0.195 120.728 120.500 0.054 0.000 3.989 514 R HA -0.144 4.196 4.340 -0.000 0.000 0.335 514 R C -0.183 176.384 176.300 0.445 0.000 1.223 514 R CA 1.143 57.409 56.100 0.276 0.000 0.962 514 R CB -3.103 27.435 30.300 0.397 0.000 1.393 514 R HN 0.474 nan 8.270 nan 0.000 0.554 515 T N 1.770 116.482 114.554 0.263 0.000 2.882 515 T HA 0.412 4.762 4.350 -0.000 0.000 0.287 515 T C 0.857 175.746 174.700 0.314 0.000 1.014 515 T CA -0.493 61.766 62.100 0.266 0.000 1.049 515 T CB 1.038 70.005 68.868 0.166 0.000 1.001 515 T HN 0.001 nan 8.240 nan 0.000 0.525 516 I N 3.418 124.155 120.570 0.279 0.000 2.441 516 I HA 0.332 4.502 4.170 -0.000 0.000 0.287 516 I C 0.580 176.795 176.117 0.163 0.000 1.049 516 I CA -0.233 61.216 61.300 0.249 0.000 1.381 516 I CB 0.245 38.332 38.000 0.145 0.000 1.409 516 I HN 0.404 nan 8.210 nan 0.000 0.523 517 V N 3.338 123.351 119.914 0.166 0.000 3.156 517 V HA 0.994 5.114 4.120 -0.000 0.000 0.311 517 V C -0.375 175.815 176.094 0.160 0.000 1.208 517 V CA -1.015 61.364 62.300 0.131 0.000 1.063 517 V CB 1.754 33.639 31.823 0.103 0.000 1.098 517 V HN 0.779 nan 8.190 nan 0.000 0.452 518 A N 0.610 123.536 122.820 0.178 0.000 2.304 518 A HA 1.034 5.354 4.320 -0.000 0.000 0.323 518 A C -0.032 177.740 177.584 0.313 0.000 1.195 518 A CA -0.044 52.154 52.037 0.268 0.000 0.826 518 A CB 0.902 20.078 19.000 0.293 0.000 1.184 518 A HN 2.449 nan 8.150 nan 0.000 0.496 519 A N 1.395 124.387 122.820 0.286 0.000 2.587 519 A HA 0.844 5.164 4.320 -0.000 0.000 0.293 519 A C 0.258 177.819 177.584 -0.038 0.000 1.087 519 A CA 0.030 52.156 52.037 0.149 0.000 0.692 519 A CB 0.529 19.570 19.000 0.068 0.000 1.291 519 A HN 1.555 nan 8.150 nan 0.000 0.407 520 T N -0.747 113.668 114.554 -0.232 0.000 2.689 520 T HA 0.658 5.008 4.350 -0.000 0.000 0.308 520 T C 0.902 175.607 174.700 0.009 0.000 1.021 520 T CA 0.440 62.389 62.100 -0.252 0.000 0.973 520 T CB 0.422 69.111 68.868 -0.299 0.000 1.113 520 T HN 2.692 nan 8.240 nan 0.000 0.522 521 G N -0.055 108.766 108.800 0.034 0.000 2.746 521 G HA2 0.009 3.969 3.960 -0.000 0.000 0.685 521 G HA3 0.009 3.969 3.960 -0.000 0.000 0.685 521 G C -0.745 174.190 174.900 0.059 0.000 1.350 521 G CA -0.104 45.076 45.100 0.133 0.000 0.837 521 G HN 1.067 nan 8.290 nan 0.000 0.564 522 D N -0.389 119.933 120.400 -0.130 0.000 2.861 522 D HA 0.503 5.143 4.640 -0.000 0.000 0.357 522 D C -0.221 176.046 176.300 -0.056 0.000 1.250 522 D CA -0.336 53.629 54.000 -0.058 0.000 0.802 522 D CB -0.175 40.589 40.800 -0.059 0.000 1.141 522 D HN 0.475 nan 8.370 nan 0.000 0.489 523 Y N 0.250 120.590 120.300 0.068 0.000 2.335 523 Y HA 0.253 4.803 4.550 -0.000 0.000 0.323 523 Y C 1.797 177.806 175.900 0.181 0.000 1.224 523 Y CA -0.953 57.197 58.100 0.082 0.000 1.241 523 Y CB 0.733 39.212 38.460 0.032 0.000 1.235 523 Y HN -0.023 nan 8.280 nan 0.000 0.492 524 N N 1.373 120.244 118.700 0.286 0.000 2.091 524 N HA -0.216 4.524 4.740 -0.000 0.000 0.193 524 N C 0.939 176.624 175.510 0.290 0.000 1.021 524 N CA 1.932 55.128 53.050 0.244 0.000 0.862 524 N CB -0.465 38.147 38.487 0.207 0.000 1.018 524 N HN 0.774 nan 8.380 nan 0.000 0.429 525 D N -0.516 120.004 120.400 0.200 0.000 2.378 525 D HA -0.072 4.568 4.640 -0.000 0.000 0.227 525 D C 0.853 177.116 176.300 -0.062 0.000 1.012 525 D CA 0.538 54.579 54.000 0.069 0.000 0.905 525 D CB -0.352 40.489 40.800 0.069 0.000 0.895 525 D HN 0.311 nan 8.370 nan 0.000 0.532 526 Q N -1.026 118.776 119.800 0.004 0.000 2.220 526 Q HA 0.141 4.481 4.340 -0.000 0.000 0.205 526 Q C -0.695 175.125 176.000 -0.300 0.000 0.865 526 Q CA -0.191 55.556 55.803 -0.093 0.000 0.960 526 Q CB 0.348 29.081 28.738 -0.007 0.000 1.097 526 Q HN 0.394 nan 8.270 nan 0.000 0.493 527 Y N -0.916 119.208 120.300 -0.293 0.000 2.420 527 Y HA 0.348 4.898 4.550 -0.000 0.000 0.334 527 Y C -0.696 174.961 175.900 -0.405 0.000 1.094 527 Y CA -0.788 57.178 58.100 -0.223 0.000 1.126 527 Y CB 1.083 39.380 38.460 -0.271 0.000 1.217 527 Y HN -0.004 nan 8.280 nan 0.000 0.462 528 W N 3.571 125.014 121.300 0.239 0.000 2.839 528 W HA 0.626 5.286 4.660 -0.000 0.000 0.334 528 W C -1.570 175.099 176.519 0.249 0.000 1.064 528 W CA -0.655 56.795 57.345 0.176 0.000 1.236 528 W CB 1.174 30.665 29.460 0.053 0.000 1.405 528 W HN 0.166 nan 8.180 nan 0.000 0.478 529 L N 4.942 126.410 121.223 0.407 0.000 2.260 529 L HA 0.440 4.780 4.340 -0.000 0.000 0.289 529 L C -0.119 176.931 176.870 0.300 0.000 1.057 529 L CA -0.473 54.583 54.840 0.359 0.000 0.811 529 L CB 0.318 42.526 42.059 0.248 0.000 1.184 529 L HN 0.330 nan 8.230 nan 0.000 0.429 530 I N 3.945 124.704 120.570 0.314 0.000 2.307 530 I HA 0.227 4.397 4.170 -0.000 0.000 0.289 530 I C -0.152 176.089 176.117 0.206 0.000 1.021 530 I CA -0.334 61.053 61.300 0.145 0.000 1.224 530 I CB 0.916 38.816 38.000 -0.167 0.000 1.376 530 I HN 0.616 nan 8.210 nan 0.000 0.470 531 E N 6.230 126.552 120.200 0.203 0.000 2.158 531 E HA 0.422 4.772 4.350 -0.000 0.000 0.271 531 E C -0.519 176.179 176.600 0.164 0.000 0.911 531 E CA -0.929 55.561 56.400 0.150 0.000 0.767 531 E CB 2.206 31.938 29.700 0.054 0.000 1.120 531 E HN 0.408 nan 8.360 nan 0.000 0.405 532 R N 3.093 123.625 120.500 0.053 0.000 2.265 532 R HA 0.158 4.498 4.340 -0.000 0.000 0.314 532 R C -0.318 175.865 176.300 -0.196 0.000 1.053 532 R CA -0.393 55.567 56.100 -0.233 0.000 0.931 532 R CB 0.399 30.558 30.300 -0.235 0.000 1.024 532 R HN 0.483 nan 8.270 nan 0.000 0.457 533 N N 2.360 120.913 118.700 -0.245 0.000 2.413 533 N HA 0.013 4.753 4.740 -0.000 0.000 0.266 533 N C 0.438 175.854 175.510 -0.157 0.000 1.238 533 N CA -0.313 52.654 53.050 -0.139 0.000 0.972 533 N CB 0.738 39.172 38.487 -0.089 0.000 1.210 533 N HN 0.614 nan 8.380 nan 0.000 0.547 534 E N -0.087 120.053 120.200 -0.100 0.000 2.204 534 E HA -0.160 4.190 4.350 -0.000 0.000 0.194 534 E C 0.001 176.546 176.600 -0.091 0.000 0.989 534 E CA 0.933 57.278 56.400 -0.092 0.000 0.824 534 E CB -0.016 29.649 29.700 -0.059 0.000 0.756 534 E HN 0.553 nan 8.360 nan 0.000 0.477 535 D N -0.352 119.993 120.400 -0.090 0.000 2.325 535 D HA -0.037 4.603 4.640 -0.000 0.000 0.234 535 D C -0.234 176.008 176.300 -0.097 0.000 1.122 535 D CA -0.065 53.889 54.000 -0.076 0.000 0.850 535 D CB -0.362 40.402 40.800 -0.061 0.000 0.921 535 D HN -0.013 nan 8.370 nan 0.000 0.513 536 N N -1.002 117.604 118.700 -0.156 0.000 2.828 536 N HA -0.204 4.536 4.740 -0.000 0.000 0.248 536 N C -0.184 175.157 175.510 -0.283 0.000 1.044 536 N CA 1.556 54.473 53.050 -0.222 0.000 0.851 536 N CB -1.888 36.538 38.487 -0.102 0.000 1.136 536 N HN 0.641 nan 8.380 nan 0.000 0.572 537 T N -3.293 111.125 114.554 -0.226 0.000 2.824 537 T HA 0.597 4.947 4.350 -0.000 0.000 0.277 537 T C -0.064 174.454 174.700 -0.303 0.000 0.975 537 T CA -0.355 61.662 62.100 -0.137 0.000 0.966 537 T CB 1.207 70.052 68.868 -0.039 0.000 1.054 537 T HN 0.144 nan 8.240 nan 0.000 0.533 538 Y N -0.839 119.499 120.300 0.064 0.000 2.536 538 Y HA 0.593 5.143 4.550 -0.000 0.000 0.347 538 Y C -0.027 175.962 175.900 0.147 0.000 1.000 538 Y CA -1.638 56.502 58.100 0.067 0.000 1.051 538 Y CB 1.529 40.001 38.460 0.020 0.000 1.259 538 Y HN 0.432 nan 8.280 nan 0.000 0.468 539 I N 3.636 124.373 120.570 0.278 0.000 2.353 539 I HA 0.301 4.471 4.170 -0.000 0.000 0.293 539 I C -0.340 175.894 176.117 0.194 0.000 0.992 539 I CA -0.915 60.537 61.300 0.253 0.000 1.268 539 I CB 0.995 39.071 38.000 0.128 0.000 1.387 539 I HN 0.507 nan 8.210 nan 0.000 0.478 540 I N 6.367 127.039 120.570 0.171 0.000 2.371 540 I HA 0.362 4.532 4.170 -0.000 0.000 0.282 540 I C 0.319 176.581 176.117 0.242 0.000 1.031 540 I CA -0.459 60.883 61.300 0.071 0.000 1.180 540 I CB 0.729 38.558 38.000 -0.285 0.000 1.336 540 I HN 0.487 nan 8.210 nan 0.000 0.467 541 R N 5.684 126.356 120.500 0.287 0.000 2.393 541 R HA 0.311 4.651 4.340 -0.000 0.000 0.310 541 R C -0.223 176.191 176.300 0.189 0.000 0.968 541 R CA -0.649 55.564 56.100 0.187 0.000 0.867 541 R CB 1.168 31.454 30.300 -0.023 0.000 1.124 541 R HN 0.575 nan 8.270 nan 0.000 0.450 542 N N 3.314 121.985 118.700 -0.048 0.000 2.468 542 N HA -0.126 4.614 4.740 -0.000 0.000 0.265 542 N C 0.511 175.900 175.510 -0.201 0.000 1.199 542 N CA 0.300 53.103 53.050 -0.412 0.000 0.928 542 N CB 0.541 38.740 38.487 -0.481 0.000 1.059 542 N HN 0.622 nan 8.380 nan 0.000 0.467 543 Y N 3.774 123.909 120.300 -0.275 0.000 2.181 543 Y HA -0.232 4.318 4.550 -0.000 0.000 0.288 543 Y C 2.204 178.032 175.900 -0.120 0.000 1.146 543 Y CA 1.974 59.983 58.100 -0.152 0.000 1.164 543 Y CB 0.108 38.502 38.460 -0.109 0.000 0.982 543 Y HN 0.721 nan 8.280 nan 0.000 0.515 544 E N 0.373 120.539 120.200 -0.056 0.000 2.051 544 E HA -0.055 4.295 4.350 -0.000 0.000 0.189 544 E C -0.296 176.275 176.600 -0.048 0.000 0.979 544 E CA 0.988 57.360 56.400 -0.047 0.000 0.803 544 E CB -0.034 29.719 29.700 0.088 0.000 0.761 544 E HN 0.453 nan 8.360 nan 0.000 0.451 545 N N 0.855 119.535 118.700 -0.034 0.000 2.626 545 N HA 0.191 4.931 4.740 -0.000 0.000 0.249 545 N C -0.283 175.113 175.510 -0.189 0.000 1.021 545 N CA -0.184 52.848 53.050 -0.031 0.000 0.886 545 N CB 1.282 39.825 38.487 0.093 0.000 1.149 545 N HN 0.028 nan 8.380 nan 0.000 0.517 546 R N 0.871 121.199 120.500 -0.287 0.000 2.307 546 R HA 0.025 4.365 4.340 -0.000 0.000 0.199 546 R C 1.379 177.459 176.300 -0.367 0.000 1.000 546 R CA 0.746 56.551 56.100 -0.493 0.000 1.023 546 R CB 0.205 29.944 30.300 -0.934 0.000 0.908 546 R HN 0.348 nan 8.270 nan 0.000 0.473 547 K N 0.111 120.354 120.400 -0.261 0.000 2.288 547 K HA 0.024 4.344 4.320 -0.000 0.000 0.201 547 K C 0.354 176.942 176.600 -0.020 0.000 1.048 547 K CA 0.558 56.757 56.287 -0.147 0.000 0.956 547 K CB 0.332 32.669 32.500 -0.272 0.000 0.746 547 K HN 0.017 nan 8.250 nan 0.000 0.461 548 I N 2.394 122.845 120.570 -0.199 0.000 2.342 548 I HA 0.113 4.283 4.170 -0.000 0.000 0.291 548 I C 0.152 176.189 176.117 -0.134 0.000 1.010 548 I CA -0.538 60.570 61.300 -0.319 0.000 1.308 548 I CB 0.864 38.322 38.000 -0.903 0.000 1.400 548 I HN -0.200 nan 8.210 nan 0.000 0.488 549 V N 5.142 125.071 119.914 0.025 0.000 3.102 549 V HA 0.563 4.683 4.120 -0.000 0.000 0.312 549 V C -0.485 175.729 176.094 0.200 0.000 1.135 549 V CA -1.225 61.174 62.300 0.165 0.000 1.022 549 V CB 2.210 34.173 31.823 0.232 0.000 1.056 549 V HN 0.458 nan 8.190 nan 0.000 0.436 550 L N 2.964 124.303 121.223 0.193 0.000 2.513 550 L HA 0.478 4.818 4.340 -0.000 0.000 0.272 550 L C -0.135 177.000 176.870 0.441 0.000 1.187 550 L CA 1.225 56.128 54.840 0.105 0.000 0.895 550 L CB -0.012 41.803 42.059 -0.406 0.000 1.147 550 L HN 1.018 nan 8.230 nan 0.000 0.483 551 D N 4.474 125.114 120.400 0.400 0.000 2.763 551 D HA 0.127 4.767 4.640 -0.000 0.000 0.235 551 D C -1.409 175.085 176.300 0.324 0.000 1.334 551 D CA -0.608 53.598 54.000 0.343 0.000 0.950 551 D CB 1.557 42.500 40.800 0.240 0.000 1.433 551 D HN 0.348 nan 8.370 nan 0.000 0.580 552 L N 3.685 125.075 121.223 0.278 0.000 2.385 552 L HA 0.244 4.584 4.340 -0.000 0.000 0.281 552 L C 0.252 177.160 176.870 0.064 0.000 1.106 552 L CA 0.123 55.075 54.840 0.186 0.000 0.856 552 L CB 0.680 42.777 42.059 0.064 0.000 1.186 552 L HN 0.369 nan 8.230 nan 0.000 0.453 553 S N 5.663 121.408 115.700 0.075 0.000 2.885 553 S HA -0.053 4.416 4.470 -0.000 0.000 0.334 553 S C 0.990 175.576 174.600 -0.023 0.000 1.224 553 S CA 0.435 58.647 58.200 0.020 0.000 1.080 553 S CB -0.503 62.731 63.200 0.056 0.000 0.801 553 S HN 0.897 nan 8.310 nan 0.000 0.510 554 N N 3.018 121.673 118.700 -0.076 0.000 2.681 554 N HA -0.209 4.531 4.740 -0.000 0.000 0.250 554 N C 0.748 176.216 175.510 -0.070 0.000 1.133 554 N CA 1.627 54.629 53.050 -0.081 0.000 0.732 554 N CB -1.777 36.677 38.487 -0.054 0.000 1.107 554 N HN 1.385 nan 8.380 nan 0.000 0.559 555 G N -0.912 107.847 108.800 -0.068 0.000 2.225 555 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.267 555 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.267 555 G C 0.004 174.865 174.900 -0.065 0.000 1.024 555 G CA 0.883 45.937 45.100 -0.076 0.000 0.784 555 G HN 0.898 nan 8.290 nan 0.000 0.507 556 S N -0.452 115.220 115.700 -0.046 0.000 2.480 556 S HA 0.647 5.117 4.470 -0.000 0.000 0.286 556 S C 1.219 175.797 174.600 -0.036 0.000 1.180 556 S CA 0.621 58.797 58.200 -0.040 0.000 1.075 556 S CB 1.106 64.288 63.200 -0.030 0.000 0.996 556 S HN 1.037 nan 8.310 nan 0.000 0.487 557 T N 1.069 115.593 114.554 -0.050 0.000 3.215 557 T HA 0.215 4.565 4.350 -0.000 0.000 0.271 557 T C 0.554 175.205 174.700 -0.082 0.000 1.012 557 T CA -0.398 61.670 62.100 -0.053 0.000 0.899 557 T CB -0.079 68.756 68.868 -0.056 0.000 1.089 557 T HN 0.521 nan 8.240 nan 0.000 0.552 558 T N 2.700 117.203 114.554 -0.084 0.000 2.870 558 T HA 0.153 4.503 4.350 -0.000 0.000 0.300 558 T C -0.244 174.345 174.700 -0.185 0.000 0.989 558 T CA -0.348 61.679 62.100 -0.122 0.000 1.139 558 T CB -0.156 68.659 68.868 -0.089 0.000 0.920 558 T HN 0.274 nan 8.240 nan 0.000 0.537 559 D N 3.414 123.617 120.400 -0.327 0.000 2.586 559 D HA 0.243 4.883 4.640 -0.000 0.000 0.234 559 D C 1.394 177.458 176.300 -0.394 0.000 1.132 559 D CA 1.864 55.490 54.000 -0.624 0.000 0.860 559 D CB 0.217 40.390 40.800 -1.046 0.000 1.159 559 D HN 0.934 nan 8.370 nan 0.000 0.490 560 G N 2.338 110.934 108.800 -0.340 0.000 2.194 560 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.236 560 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.236 560 G C 0.581 175.483 174.900 0.004 0.000 0.987 560 G CA 0.009 44.975 45.100 -0.223 0.000 0.635 560 G HN 0.631 nan 8.290 nan 0.000 0.520 561 N N 1.422 120.123 118.700 0.001 0.000 2.454 561 N HA 0.481 5.221 4.740 -0.000 0.000 0.254 561 N C 1.017 176.615 175.510 0.146 0.000 1.228 561 N CA 1.174 54.263 53.050 0.065 0.000 0.900 561 N CB 0.567 39.074 38.487 0.032 0.000 1.089 561 N HN 0.645 nan 8.380 nan 0.000 0.449 562 G N 1.405 110.292 108.800 0.145 0.000 2.537 562 G HA2 0.508 4.468 3.960 -0.000 0.000 0.273 562 G HA3 0.508 4.468 3.960 -0.000 0.000 0.273 562 G C -0.737 174.264 174.900 0.168 0.000 1.189 562 G CA -0.401 44.802 45.100 0.171 0.000 0.881 562 G HN 0.490 nan 8.290 nan 0.000 0.535 563 L N -0.434 120.891 121.223 0.170 0.000 2.331 563 L HA 0.575 4.915 4.340 -0.000 0.000 0.275 563 L C 0.101 177.085 176.870 0.190 0.000 1.022 563 L CA -0.308 54.636 54.840 0.173 0.000 0.812 563 L CB 1.840 43.959 42.059 0.100 0.000 1.257 563 L HN 0.314 nan 8.230 nan 0.000 0.435 564 L N 0.861 122.216 121.223 0.219 0.000 2.319 564 L HA 0.722 5.062 4.340 -0.000 0.000 0.267 564 L C 0.465 177.498 176.870 0.273 0.000 1.011 564 L CA -0.848 54.161 54.840 0.281 0.000 0.818 564 L CB 1.709 43.958 42.059 0.316 0.000 1.316 564 L HN 0.680 nan 8.230 nan 0.000 0.432 565 G N 0.944 109.916 108.800 0.287 0.000 2.457 565 G HA2 0.492 4.452 3.960 -0.000 0.000 0.316 565 G HA3 0.492 4.452 3.960 -0.000 0.000 0.316 565 G C -1.342 173.577 174.900 0.033 0.000 1.030 565 G CA 0.006 45.053 45.100 -0.088 0.000 1.073 565 G HN 0.273 nan 8.290 nan 0.000 0.430 566 F N 1.031 120.952 119.950 -0.048 0.000 2.577 566 F HA 0.456 4.983 4.527 -0.000 0.000 0.318 566 F C 0.478 176.300 175.800 0.036 0.000 1.065 566 F CA -1.196 56.826 58.000 0.036 0.000 0.929 566 F CB 2.105 41.172 39.000 0.112 0.000 1.237 566 F HN 0.487 nan 8.300 nan 0.000 0.468 567 E N 3.380 123.462 120.200 -0.197 0.000 2.529 567 E HA -0.045 4.305 4.350 -0.000 0.000 0.259 567 E C -0.817 175.988 176.600 0.341 0.000 0.966 567 E CA -0.125 56.312 56.400 0.062 0.000 0.937 567 E CB 0.335 30.014 29.700 -0.035 0.000 0.923 567 E HN 0.442 nan 8.360 nan 0.000 0.468 568 F N 5.874 125.963 119.950 0.231 0.000 2.590 568 F HA 0.015 4.542 4.527 -0.000 0.000 0.389 568 F C 0.480 176.362 175.800 0.136 0.000 1.049 568 F CA 0.461 58.544 58.000 0.138 0.000 1.199 568 F CB 0.272 39.386 39.000 0.191 0.000 1.058 568 F HN 0.608 nan 8.300 nan 0.000 0.556 569 H N 2.675 121.500 119.070 -0.410 0.000 3.457 569 H HA 0.345 4.901 4.556 -0.000 0.000 0.255 569 H C 1.346 176.260 175.328 -0.689 0.000 1.082 569 H CA -0.116 55.631 56.048 -0.503 0.000 1.189 569 H CB -0.067 29.608 29.762 -0.146 0.000 1.511 569 H HN 0.762 nan 8.280 nan 0.000 0.527 570 G N 0.443 108.772 108.800 -0.785 0.000 2.162 570 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.260 570 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.260 570 G C 0.826 175.680 174.900 -0.077 0.000 0.976 570 G CA 0.279 45.154 45.100 -0.375 0.000 0.655 570 G HN 0.926 nan 8.290 nan 0.000 0.533 571 G N -0.718 108.167 108.800 0.142 0.000 2.716 571 G HA2 0.434 4.394 3.960 -0.000 0.000 0.251 571 G HA3 0.434 4.394 3.960 -0.000 0.000 0.251 571 G C 1.314 176.220 174.900 0.010 0.000 1.224 571 G CA 0.046 45.227 45.100 0.135 0.000 0.891 571 G HN 0.800 nan 8.290 nan 0.000 0.561 572 I N 0.344 120.889 120.570 -0.041 0.000 2.335 572 I HA -0.198 3.972 4.170 -0.000 0.000 0.251 572 I C 2.207 178.204 176.117 -0.201 0.000 1.129 572 I CA 1.615 62.848 61.300 -0.113 0.000 1.402 572 I CB 0.007 37.945 38.000 -0.105 0.000 1.069 572 I HN 0.634 nan 8.210 nan 0.000 0.424 573 N N 0.620 119.228 118.700 -0.154 0.000 2.449 573 N HA -0.138 4.601 4.740 -0.000 0.000 0.191 573 N C 0.882 176.216 175.510 -0.294 0.000 1.161 573 N CA 0.471 53.375 53.050 -0.243 0.000 0.863 573 N CB 0.031 38.444 38.487 -0.124 0.000 0.980 573 N HN 0.601 nan 8.380 nan 0.000 0.458 574 Q N -0.231 119.419 119.800 -0.251 0.000 2.149 574 Q HA 0.266 4.606 4.340 -0.000 0.000 0.221 574 Q C -0.395 175.500 176.000 -0.175 0.000 0.807 574 Q CA -0.225 55.508 55.803 -0.116 0.000 1.000 574 Q CB 1.034 29.739 28.738 -0.056 0.000 1.157 574 Q HN 0.251 nan 8.270 nan 0.000 0.487 575 R N -0.012 120.219 120.500 -0.448 0.000 2.393 575 R HA 0.430 4.770 4.340 -0.000 0.000 0.310 575 R C -1.478 174.525 176.300 -0.495 0.000 0.968 575 R CA -0.209 55.730 56.100 -0.269 0.000 0.867 575 R CB 1.105 31.317 30.300 -0.146 0.000 1.124 575 R HN -0.024 nan 8.270 nan 0.000 0.450 576 W N 3.185 124.516 121.300 0.052 0.000 2.785 576 W HA 0.462 5.122 4.660 -0.000 0.000 0.333 576 W C -0.543 176.050 176.519 0.123 0.000 1.062 576 W CA -0.604 56.770 57.345 0.048 0.000 1.233 576 W CB 1.114 30.566 29.460 -0.012 0.000 1.413 576 W HN 0.292 nan 8.180 nan 0.000 0.489 577 I N 4.196 124.954 120.570 0.313 0.000 2.342 577 I HA 0.273 4.443 4.170 -0.000 0.000 0.291 577 I C -0.092 176.172 176.117 0.244 0.000 1.010 577 I CA -0.328 61.131 61.300 0.264 0.000 1.308 577 I CB 0.466 38.567 38.000 0.168 0.000 1.400 577 I HN 0.214 nan 8.210 nan 0.000 0.488 578 I N 7.303 128.010 120.570 0.229 0.000 2.390 578 I HA 0.332 4.501 4.170 -0.000 0.000 0.283 578 I C -0.163 176.077 176.117 0.205 0.000 1.016 578 I CA -0.544 60.782 61.300 0.044 0.000 1.151 578 I CB 0.845 38.578 38.000 -0.445 0.000 1.293 578 I HN 0.489 nan 8.210 nan 0.000 0.458 579 K N 7.992 128.574 120.400 0.302 0.000 2.323 579 K HA 0.497 4.817 4.320 -0.000 0.000 0.259 579 K C -2.607 174.204 176.600 0.352 0.000 0.947 579 K CA -1.880 54.596 56.287 0.315 0.000 0.819 579 K CB 1.962 34.599 32.500 0.227 0.000 1.109 579 K HN 0.102 nan 8.250 nan 0.000 0.429 580 P HA -0.077 nan 4.420 nan 0.000 0.264 580 P C -1.269 176.029 177.300 -0.003 0.000 1.183 580 P CA 0.369 63.376 63.100 -0.155 0.000 0.763 580 P CB 0.195 31.835 31.700 -0.100 0.000 0.807 581 F N 2.330 122.149 119.950 -0.219 0.000 2.556 581 F HA 0.530 5.057 4.527 -0.000 0.000 0.314 581 F C -0.431 175.228 175.800 -0.234 0.000 1.106 581 F CA -0.367 57.514 58.000 -0.199 0.000 0.911 581 F CB 1.730 40.604 39.000 -0.210 0.000 1.190 581 F HN 0.070 nan 8.300 nan 0.000 0.448 582 S N 5.125 120.458 115.700 -0.611 0.000 2.605 582 S HA 0.391 4.861 4.470 -0.000 0.000 0.308 582 S C 0.295 174.663 174.600 -0.386 0.000 1.113 582 S CA -0.461 57.547 58.200 -0.320 0.000 1.049 582 S CB 0.573 63.623 63.200 -0.250 0.000 1.001 582 S HN 0.628 nan 8.310 nan 0.000 0.480 583 F N 2.969 122.973 119.950 0.089 0.000 2.293 583 F HA 0.072 4.599 4.527 -0.000 0.000 0.297 583 F C 1.605 177.462 175.800 0.094 0.000 1.089 583 F CA 0.662 58.788 58.000 0.211 0.000 1.377 583 F CB -0.038 39.181 39.000 0.366 0.000 1.051 583 F HN 0.669 nan 8.300 nan 0.000 0.511 584 N N -0.377 118.258 118.700 -0.109 0.000 3.229 584 N HA 0.093 4.833 4.740 -0.000 0.000 0.275 584 N C 0.731 176.171 175.510 -0.118 0.000 1.225 584 N CA 0.338 53.154 53.050 -0.390 0.000 1.119 584 N CB 0.394 38.114 38.487 -1.277 0.000 1.392 584 N HN 0.029 nan 8.380 nan 0.000 0.520 585 S N 1.180 116.869 115.700 -0.018 0.000 2.436 585 S HA -0.036 4.434 4.470 -0.000 0.000 0.228 585 S C 0.927 175.426 174.600 -0.170 0.000 1.014 585 S CA 0.000 58.102 58.200 -0.163 0.000 0.950 585 S CB -0.559 62.534 63.200 -0.179 0.000 0.784 585 S HN 0.673 nan 8.310 nan 0.000 0.504 586 I N -0.128 120.363 120.570 -0.131 0.000 2.740 586 I HA 0.533 4.703 4.170 -0.000 0.000 0.303 586 I C -0.535 175.571 176.117 -0.019 0.000 1.044 586 I CA -1.411 59.762 61.300 -0.211 0.000 1.064 586 I CB 1.830 39.492 38.000 -0.563 0.000 1.249 586 I HN 0.102 nan 8.210 nan 0.000 0.433 587 Q N 2.130 121.930 119.800 -0.001 0.000 2.299 587 Q HA 0.301 4.641 4.340 -0.000 0.000 0.246 587 Q C -1.108 174.992 176.000 0.167 0.000 0.935 587 Q CA -0.741 55.114 55.803 0.086 0.000 0.887 587 Q CB 0.957 29.739 28.738 0.073 0.000 1.223 587 Q HN 0.510 nan 8.270 nan 0.000 0.439 588 D N 1.120 121.662 120.400 0.236 0.000 2.506 588 D HA 0.394 5.034 4.640 -0.000 0.000 0.234 588 D C 0.197 176.640 176.300 0.237 0.000 1.143 588 D CA 1.359 55.525 54.000 0.277 0.000 0.871 588 D CB 0.904 41.844 40.800 0.233 0.000 1.190 588 D HN 0.821 nan 8.370 nan 0.000 0.459 589 G N 0.081 109.058 108.800 0.294 0.000 2.323 589 G HA2 0.308 4.268 3.960 -0.000 0.000 0.291 589 G HA3 0.308 4.268 3.960 -0.000 0.000 0.291 589 G C -1.378 173.644 174.900 0.203 0.000 1.278 589 G CA -0.929 44.293 45.100 0.204 0.000 0.860 589 G HN 0.384 nan 8.290 nan 0.000 0.504 590 I N 0.612 121.227 120.570 0.075 0.000 2.359 590 I HA 0.564 4.734 4.170 -0.000 0.000 0.294 590 I C -0.905 175.194 176.117 -0.031 0.000 0.987 590 I CA -0.579 60.779 61.300 0.096 0.000 1.225 590 I CB 1.335 39.374 38.000 0.066 0.000 1.366 590 I HN 0.433 nan 8.210 nan 0.000 0.466 591 Y N 3.747 124.091 120.300 0.072 0.000 2.545 591 Y HA 0.446 4.996 4.550 -0.000 0.000 0.348 591 Y C -0.318 175.565 175.900 -0.027 0.000 1.002 591 Y CA -0.784 57.287 58.100 -0.049 0.000 1.039 591 Y CB 1.985 40.242 38.460 -0.338 0.000 1.271 591 Y HN 0.431 nan 8.280 nan 0.000 0.467 592 Q N 1.585 121.449 119.800 0.106 0.000 2.306 592 Q HA 0.476 4.816 4.340 -0.000 0.000 0.265 592 Q C -1.722 174.225 176.000 -0.088 0.000 1.022 592 Q CA -0.926 54.942 55.803 0.108 0.000 0.853 592 Q CB 2.287 31.092 28.738 0.111 0.000 1.327 592 Q HN 0.510 nan 8.270 nan 0.000 0.449 593 F N 2.010 122.053 119.950 0.154 0.000 2.334 593 F HA 0.383 4.910 4.527 -0.000 0.000 0.367 593 F C 0.065 176.121 175.800 0.425 0.000 1.115 593 F CA -0.424 57.663 58.000 0.145 0.000 1.116 593 F CB 0.710 39.486 39.000 -0.374 0.000 1.230 593 F HN 0.252 nan 8.300 nan 0.000 0.484 594 M N 2.976 122.938 119.600 0.604 0.000 2.209 594 M HA 0.274 4.754 4.480 -0.000 0.000 0.355 594 M C 0.400 176.983 176.300 0.472 0.000 1.171 594 M CA -0.737 54.862 55.300 0.499 0.000 1.069 594 M CB 1.506 34.342 32.600 0.393 0.000 1.622 594 M HN 0.625 nan 8.290 nan 0.000 0.459 595 T N -0.135 114.529 114.554 0.184 0.000 2.926 595 T HA 0.166 4.516 4.350 -0.000 0.000 0.307 595 T C 1.040 175.690 174.700 -0.083 0.000 1.059 595 T CA -0.860 61.073 62.100 -0.279 0.000 1.122 595 T CB 0.832 69.487 68.868 -0.356 0.000 0.972 595 T HN 0.446 nan 8.240 nan 0.000 0.545 596 V N 3.079 122.849 119.914 -0.240 0.000 2.515 596 V HA -0.062 4.058 4.120 -0.000 0.000 0.250 596 V C 2.450 178.551 176.094 0.012 0.000 1.058 596 V CA 1.441 63.679 62.300 -0.103 0.000 1.064 596 V CB -0.720 30.906 31.823 -0.329 0.000 0.675 596 V HN 0.879 nan 8.190 nan 0.000 0.461 597 I N -0.009 120.516 120.570 -0.075 0.000 2.439 597 I HA -0.062 4.108 4.170 -0.000 0.000 0.251 597 I C 0.976 177.102 176.117 0.015 0.000 1.139 597 I CA 0.996 62.277 61.300 -0.032 0.000 1.438 597 I CB 0.102 38.060 38.000 -0.070 0.000 1.085 597 I HN 0.324 nan 8.210 nan 0.000 0.427 598 N N 0.300 119.012 118.700 0.020 0.000 2.621 598 N HA 0.136 4.876 4.740 -0.000 0.000 0.271 598 N C 0.167 175.729 175.510 0.087 0.000 1.181 598 N CA -0.155 52.927 53.050 0.053 0.000 0.805 598 N CB 1.121 39.630 38.487 0.038 0.000 1.351 598 N HN 0.053 nan 8.380 nan 0.000 0.539 599 Q N 0.528 120.404 119.800 0.127 0.000 2.291 599 Q HA -0.092 4.248 4.340 -0.000 0.000 0.206 599 Q C 0.039 176.119 176.000 0.132 0.000 0.976 599 Q CA 1.139 57.045 55.803 0.171 0.000 0.875 599 Q CB 0.296 29.148 28.738 0.190 0.000 0.927 599 Q HN 0.540 nan 8.270 nan 0.000 0.450 600 D N 0.119 120.576 120.400 0.095 0.000 2.310 600 D HA -0.034 4.606 4.640 -0.000 0.000 0.212 600 D C -0.006 176.324 176.300 0.049 0.000 0.965 600 D CA 0.792 54.828 54.000 0.060 0.000 0.879 600 D CB 0.131 40.962 40.800 0.051 0.000 0.921 600 D HN 0.183 nan 8.370 nan 0.000 0.510 601 L N 1.351 122.622 121.223 0.080 0.000 2.264 601 L HA 0.353 4.693 4.340 -0.000 0.000 0.289 601 L C -0.129 176.846 176.870 0.175 0.000 1.044 601 L CA -0.934 53.964 54.840 0.097 0.000 0.807 601 L CB 1.030 43.137 42.059 0.081 0.000 1.192 601 L HN -0.133 nan 8.230 nan 0.000 0.425 602 I N 0.835 121.514 120.570 0.183 0.000 2.957 602 I HA 0.788 4.958 4.170 -0.000 0.000 0.310 602 I C 0.124 176.424 176.117 0.306 0.000 1.063 602 I CA -1.043 60.425 61.300 0.280 0.000 1.033 602 I CB 1.542 39.646 38.000 0.173 0.000 1.230 602 I HN 0.462 nan 8.210 nan 0.000 0.447 603 A N 1.980 124.997 122.820 0.330 0.000 2.451 603 A HA 0.429 4.749 4.320 -0.000 0.000 0.266 603 A C -0.441 177.362 177.584 0.364 0.000 1.119 603 A CA 0.099 52.241 52.037 0.175 0.000 0.786 603 A CB -0.435 18.382 19.000 -0.305 0.000 1.061 603 A HN 0.764 nan 8.150 nan 0.000 0.503 604 D N 3.057 123.621 120.400 0.272 0.000 2.593 604 D HA 0.288 4.928 4.640 -0.000 0.000 0.251 604 D C -1.163 175.270 176.300 0.222 0.000 1.140 604 D CA -0.540 53.594 54.000 0.223 0.000 0.855 604 D CB 1.354 42.224 40.800 0.117 0.000 1.267 604 D HN 0.331 nan 8.370 nan 0.000 0.532 605 L N 4.842 126.177 121.223 0.187 0.000 2.515 605 L HA 0.217 4.557 4.340 -0.000 0.000 0.281 605 L C 0.698 177.606 176.870 0.063 0.000 1.131 605 L CA 0.221 55.145 54.840 0.140 0.000 0.905 605 L CB -0.075 41.990 42.059 0.010 0.000 1.246 605 L HN 0.459 nan 8.230 nan 0.000 0.463 606 T N 0.110 114.703 114.554 0.065 0.000 2.770 606 T HA 0.120 4.470 4.350 -0.000 0.000 0.281 606 T C 0.881 175.564 174.700 -0.028 0.000 0.981 606 T CA 0.012 62.125 62.100 0.021 0.000 0.955 606 T CB 1.036 69.918 68.868 0.024 0.000 1.060 606 T HN 0.504 nan 8.240 nan 0.000 0.531 607 T N 0.205 114.727 114.554 -0.053 0.000 3.086 607 T HA 0.189 4.539 4.350 -0.000 0.000 0.250 607 T C 0.533 175.142 174.700 -0.152 0.000 1.074 607 T CA -0.348 61.684 62.100 -0.112 0.000 0.988 607 T CB -0.864 67.960 68.868 -0.073 0.000 0.988 607 T HN 0.690 nan 8.240 nan 0.000 0.530 608 N N 2.162 120.801 118.700 -0.102 0.000 2.437 608 N HA 0.221 4.961 4.740 -0.000 0.000 0.243 608 N C 0.634 176.078 175.510 -0.109 0.000 1.041 608 N CA -0.058 52.938 53.050 -0.091 0.000 0.940 608 N CB 0.010 38.474 38.487 -0.038 0.000 1.133 608 N HN 0.070 nan 8.380 nan 0.000 0.506 609 N N 2.635 121.232 118.700 -0.172 0.000 1.194 609 N HA -0.345 4.395 4.740 -0.000 0.000 0.131 609 N C -0.738 174.495 175.510 -0.461 0.000 0.688 609 N CA 2.056 54.975 53.050 -0.217 0.000 0.927 609 N CB -0.863 37.612 38.487 -0.021 0.000 1.224 609 N HN 0.668 nan 8.380 nan 0.000 0.529 610 Y N -0.153 120.191 120.300 0.072 0.000 2.715 610 Y HA 0.268 4.818 4.550 -0.000 0.000 0.255 610 Y C 0.343 176.336 175.900 0.156 0.000 1.139 610 Y CA 0.207 58.368 58.100 0.101 0.000 1.151 610 Y CB 0.322 38.879 38.460 0.161 0.000 1.201 610 Y HN 0.399 nan 8.280 nan 0.000 0.556 611 T N -0.832 113.834 114.554 0.186 0.000 2.910 611 T HA 0.540 4.890 4.350 -0.000 0.000 0.293 611 T C -0.102 174.686 174.700 0.147 0.000 1.015 611 T CA -0.299 61.914 62.100 0.188 0.000 1.094 611 T CB 0.798 69.736 68.868 0.116 0.000 0.968 611 T HN 0.193 nan 8.240 nan 0.000 0.521 612 I N 2.828 123.482 120.570 0.139 0.000 2.336 612 I HA 0.623 4.793 4.170 -0.000 0.000 0.292 612 I C 0.439 176.597 176.117 0.067 0.000 0.991 612 I CA -0.721 60.636 61.300 0.094 0.000 1.227 612 I CB 1.276 39.266 38.000 -0.016 0.000 1.366 612 I HN 0.961 nan 8.210 nan 0.000 0.466 613 A N 3.489 126.362 122.820 0.089 0.000 2.527 613 A HA 0.756 5.076 4.320 -0.000 0.000 0.293 613 A C -0.300 177.362 177.584 0.129 0.000 1.117 613 A CA -0.642 51.454 52.037 0.098 0.000 0.723 613 A CB 1.503 20.551 19.000 0.080 0.000 1.313 613 A HN 0.657 nan 8.150 nan 0.000 0.411 614 T N -0.034 114.609 114.554 0.149 0.000 2.761 614 T HA 0.600 4.950 4.350 -0.000 0.000 0.296 614 T C -0.326 174.440 174.700 0.110 0.000 0.934 614 T CA -0.124 62.079 62.100 0.171 0.000 1.091 614 T CB -0.031 68.935 68.868 0.163 0.000 0.896 614 T HN 0.588 nan 8.240 nan 0.000 0.515 615 K N 1.941 122.403 120.400 0.103 0.000 2.508 615 K HA 0.444 4.764 4.320 -0.000 0.000 0.260 615 K C -0.369 176.254 176.600 0.038 0.000 0.949 615 K CA -0.947 55.375 56.287 0.059 0.000 0.834 615 K CB 1.956 34.484 32.500 0.046 0.000 1.365 615 K HN 0.564 nan 8.250 nan 0.000 0.437 616 T N 2.003 116.565 114.554 0.013 0.000 2.905 616 T HA -0.071 4.279 4.350 -0.000 0.000 0.299 616 T C 0.164 174.836 174.700 -0.046 0.000 1.024 616 T CA 0.355 62.448 62.100 -0.013 0.000 1.151 616 T CB -0.120 68.733 68.868 -0.024 0.000 0.987 616 T HN 0.423 nan 8.240 nan 0.000 0.535 617 N N 2.812 121.463 118.700 -0.082 0.000 2.513 617 N HA 0.082 4.822 4.740 -0.000 0.000 0.268 617 N C 0.656 176.045 175.510 -0.203 0.000 1.180 617 N CA 0.019 52.957 53.050 -0.186 0.000 0.948 617 N CB 0.405 38.711 38.487 -0.302 0.000 1.083 617 N HN 0.480 nan 8.380 nan 0.000 0.455 618 N N 2.131 120.709 118.700 -0.203 0.000 2.145 618 N HA 0.025 4.765 4.740 -0.000 0.000 0.219 618 N C -0.686 174.834 175.510 0.016 0.000 1.266 618 N CA 0.104 53.102 53.050 -0.085 0.000 0.902 618 N CB 0.473 38.926 38.487 -0.057 0.000 1.078 618 N HN 0.562 nan 8.380 nan 0.000 0.513 619 Y N 0.492 120.710 120.300 -0.138 0.000 4.272 619 Y HA -0.271 4.279 4.550 -0.000 0.000 0.232 619 Y C 0.466 176.322 175.900 -0.073 0.000 1.149 619 Y CA 0.225 58.254 58.100 -0.118 0.000 1.961 619 Y CB -2.492 35.865 38.460 -0.172 0.000 1.611 619 Y HN -0.017 nan 8.280 nan 0.000 0.682 620 S N -2.109 113.593 115.700 0.003 0.000 2.632 620 S HA 0.434 4.904 4.470 -0.000 0.000 0.271 620 S C 1.360 175.915 174.600 -0.074 0.000 1.260 620 S CA -0.275 57.906 58.200 -0.031 0.000 1.010 620 S CB 1.926 65.097 63.200 -0.049 0.000 0.965 620 S HN 0.214 nan 8.310 nan 0.000 0.534 621 S N 2.097 117.738 115.700 -0.098 0.000 2.387 621 S HA -0.178 4.292 4.470 -0.000 0.000 0.230 621 S C 2.014 176.470 174.600 -0.241 0.000 1.035 621 S CA 1.574 59.684 58.200 -0.150 0.000 1.014 621 S CB -0.739 62.366 63.200 -0.158 0.000 0.836 621 S HN 0.926 nan 8.310 nan 0.000 0.466 622 N N 0.982 119.552 118.700 -0.217 0.000 2.571 622 N HA -0.114 4.626 4.740 -0.000 0.000 0.189 622 N C 0.783 176.088 175.510 -0.341 0.000 1.154 622 N CA 0.548 53.437 53.050 -0.269 0.000 0.907 622 N CB -0.183 38.240 38.487 -0.107 0.000 0.977 622 N HN 0.519 nan 8.380 nan 0.000 0.449 623 Q N -0.264 119.388 119.800 -0.248 0.000 2.198 623 Q HA 0.258 4.598 4.340 -0.000 0.000 0.209 623 Q C -0.458 175.463 176.000 -0.132 0.000 0.848 623 Q CA 0.029 55.757 55.803 -0.125 0.000 0.974 623 Q CB 0.735 29.435 28.738 -0.063 0.000 1.115 623 Q HN 0.294 nan 8.270 nan 0.000 0.494 624 K N 0.053 120.234 120.400 -0.366 0.000 2.375 624 K HA 0.506 4.826 4.320 -0.000 0.000 0.249 624 K C -1.541 174.787 176.600 -0.453 0.000 0.942 624 K CA -0.565 55.602 56.287 -0.200 0.000 0.806 624 K CB 1.597 34.048 32.500 -0.081 0.000 1.227 624 K HN -0.090 nan 8.250 nan 0.000 0.430 625 W N 0.671 122.013 121.300 0.070 0.000 2.998 625 W HA 0.227 4.887 4.660 -0.000 0.000 0.335 625 W C -0.250 176.336 176.519 0.112 0.000 1.110 625 W CA -0.772 56.622 57.345 0.081 0.000 1.230 625 W CB 1.683 31.226 29.460 0.138 0.000 1.405 625 W HN 0.484 nan 8.180 nan 0.000 0.493 626 T N -0.611 114.111 114.554 0.281 0.000 2.794 626 T HA 0.584 4.934 4.350 -0.000 0.000 0.296 626 T C -0.653 174.213 174.700 0.277 0.000 0.949 626 T CA -0.547 61.701 62.100 0.246 0.000 1.101 626 T CB 0.919 69.883 68.868 0.160 0.000 0.905 626 T HN 0.235 nan 8.240 nan 0.000 0.516 627 V N 4.264 124.361 119.914 0.305 0.000 2.384 627 V HA 0.551 4.671 4.120 -0.000 0.000 0.287 627 V C 0.120 176.416 176.094 0.337 0.000 1.020 627 V CA -0.601 61.854 62.300 0.258 0.000 0.850 627 V CB 1.661 33.503 31.823 0.031 0.000 0.987 627 V HN 1.156 nan 8.190 nan 0.000 0.436 628 T N 4.540 119.313 114.554 0.366 0.000 2.879 628 T HA 0.387 4.737 4.350 -0.000 0.000 0.290 628 T C -0.937 173.904 174.700 0.236 0.000 0.993 628 T CA -0.409 61.872 62.100 0.302 0.000 0.975 628 T CB 1.094 70.065 68.868 0.171 0.000 0.981 628 T HN 0.479 nan 8.240 nan 0.000 0.439 629 Y N 3.697 123.955 120.300 -0.070 0.000 2.359 629 Y HA 0.346 4.896 4.550 -0.000 0.000 0.330 629 Y C 0.451 176.231 175.900 -0.200 0.000 1.143 629 Y CA -0.440 57.367 58.100 -0.489 0.000 1.318 629 Y CB 0.577 38.725 38.460 -0.519 0.000 1.234 629 Y HN 0.559 nan 8.280 nan 0.000 0.522 630 N N 4.706 122.886 118.700 -0.867 0.000 2.407 630 N HA 0.101 4.841 4.740 -0.000 0.000 0.277 630 N C -0.184 174.767 175.510 -0.931 0.000 0.995 630 N CA -0.397 52.278 53.050 -0.626 0.000 0.903 630 N CB 1.228 39.526 38.487 -0.314 0.000 1.218 630 N HN 0.793 nan 8.380 nan 0.000 0.487 631 D N 3.093 123.170 120.400 -0.538 0.000 2.106 631 D HA -0.158 4.482 4.640 -0.000 0.000 0.191 631 D C 1.175 177.278 176.300 -0.328 0.000 0.997 631 D CA 1.848 55.652 54.000 -0.327 0.000 0.834 631 D CB 0.387 41.118 40.800 -0.116 0.000 0.956 631 D HN 0.532 nan 8.370 nan 0.000 0.448 632 K N 0.376 120.577 120.400 -0.331 0.000 2.097 632 K HA 0.001 4.321 4.320 -0.000 0.000 0.205 632 K C 1.920 178.255 176.600 -0.441 0.000 1.050 632 K CA 0.888 56.982 56.287 -0.322 0.000 0.938 632 K CB 0.098 32.424 32.500 -0.291 0.000 0.718 632 K HN -0.007 nan 8.250 nan 0.000 0.442 633 K N 0.104 120.128 120.400 -0.626 0.000 2.314 633 K HA 0.134 4.454 4.320 -0.000 0.000 0.198 633 K C -0.061 176.170 176.600 -0.616 0.000 1.045 633 K CA 0.145 55.917 56.287 -0.859 0.000 0.988 633 K CB 0.294 32.024 32.500 -1.284 0.000 0.783 633 K HN 0.074 nan 8.250 nan 0.000 0.484 634 R N -0.062 120.094 120.500 -0.574 0.000 3.416 634 R HA -0.212 4.128 4.340 -0.000 0.000 0.263 634 R C -0.320 175.855 176.300 -0.209 0.000 1.053 634 R CA 0.510 56.355 56.100 -0.425 0.000 0.705 634 R CB -1.821 28.162 30.300 -0.529 0.000 1.124 634 R HN 0.311 nan 8.270 nan 0.000 0.444 635 A N -0.546 122.085 122.820 -0.315 0.000 2.588 635 A HA 0.738 5.058 4.320 -0.000 0.000 0.290 635 A C -1.519 176.090 177.584 0.042 0.000 1.136 635 A CA -0.808 51.276 52.037 0.080 0.000 0.681 635 A CB 1.005 20.094 19.000 0.148 0.000 1.282 635 A HN 0.177 nan 8.150 nan 0.000 0.421 636 Y N 0.455 120.941 120.300 0.310 0.000 2.420 636 Y HA 0.573 5.123 4.550 -0.000 0.000 0.334 636 Y C 0.506 176.485 175.900 0.132 0.000 1.094 636 Y CA -0.290 57.960 58.100 0.251 0.000 1.126 636 Y CB 1.914 40.532 38.460 0.264 0.000 1.217 636 Y HN 0.623 nan 8.280 nan 0.000 0.462 637 K N 3.206 123.689 120.400 0.138 0.000 2.185 637 K HA 0.553 4.873 4.320 -0.000 0.000 0.269 637 K C -1.228 175.414 176.600 0.070 0.000 0.987 637 K CA -0.447 55.785 56.287 -0.092 0.000 0.865 637 K CB 0.734 33.071 32.500 -0.272 0.000 1.090 637 K HN 0.623 nan 8.250 nan 0.000 0.450 638 I N 5.043 125.626 120.570 0.021 0.000 2.460 638 I HA 0.281 4.451 4.170 -0.000 0.000 0.277 638 I C -0.277 175.919 176.117 0.131 0.000 1.057 638 I CA -0.550 60.765 61.300 0.025 0.000 1.179 638 I CB 1.031 38.852 38.000 -0.299 0.000 1.329 638 I HN 0.362 nan 8.210 nan 0.000 0.478 639 R N 3.623 124.254 120.500 0.219 0.000 2.368 639 R HA 0.291 4.631 4.340 -0.000 0.000 0.302 639 R C 0.189 176.649 176.300 0.268 0.000 1.002 639 R CA -0.688 55.535 56.100 0.204 0.000 0.929 639 R CB 1.175 31.529 30.300 0.090 0.000 1.073 639 R HN 0.512 nan 8.270 nan 0.000 0.464 640 N N 2.382 121.137 118.700 0.092 0.000 2.492 640 N HA -0.071 4.669 4.740 -0.000 0.000 0.260 640 N C 0.626 175.985 175.510 -0.252 0.000 1.215 640 N CA -0.056 52.754 53.050 -0.400 0.000 0.923 640 N CB 0.898 39.079 38.487 -0.509 0.000 1.092 640 N HN 0.389 nan 8.380 nan 0.000 0.448 641 L N 3.650 124.671 121.223 -0.338 0.000 2.095 641 L HA -0.095 4.245 4.340 -0.000 0.000 0.204 641 L C 2.454 179.205 176.870 -0.198 0.000 1.080 641 L CA 1.535 56.262 54.840 -0.190 0.000 0.759 641 L CB -0.547 41.413 42.059 -0.164 0.000 0.914 641 L HN 0.669 nan 8.230 nan 0.000 0.439 642 Q N -0.391 119.237 119.800 -0.287 0.000 2.046 642 Q HA -0.128 4.212 4.340 -0.000 0.000 0.200 642 Q C 0.319 176.056 176.000 -0.438 0.000 0.975 642 Q CA 1.712 57.290 55.803 -0.376 0.000 0.836 642 Q CB -0.049 28.412 28.738 -0.463 0.000 0.896 642 Q HN 0.528 nan 8.270 nan 0.000 0.428 643 H N -0.453 118.546 119.070 -0.117 0.000 2.572 643 H HA 0.465 5.021 4.556 -0.000 0.000 0.248 643 H C 0.120 175.377 175.328 -0.117 0.000 1.397 643 H CA 0.279 56.294 56.048 -0.056 0.000 1.319 643 H CB 0.877 30.561 29.762 -0.129 0.000 1.452 643 H HN 0.361 nan 8.280 nan 0.000 0.535 644 A N 2.393 125.261 122.820 0.081 0.000 2.019 644 A HA -0.189 4.131 4.320 -0.000 0.000 0.219 644 A C 1.990 179.609 177.584 0.059 0.000 1.164 644 A CA 1.100 53.165 52.037 0.047 0.000 0.644 644 A CB -0.611 18.420 19.000 0.052 0.000 0.805 644 A HN 0.743 nan 8.150 nan 0.000 0.449 645 H N -0.797 118.290 119.070 0.027 0.000 2.561 645 H HA 0.172 4.728 4.556 -0.000 0.000 0.278 645 H C 0.078 175.396 175.328 -0.017 0.000 1.014 645 H CA 0.391 56.442 56.048 0.005 0.000 1.211 645 H CB -0.633 29.131 29.762 0.003 0.000 1.365 645 H HN 0.379 nan 8.280 nan 0.000 0.594 646 L N 2.073 123.039 121.223 -0.429 0.000 2.322 646 L HA 0.338 4.678 4.340 -0.000 0.000 0.281 646 L C -0.007 176.796 176.870 -0.111 0.000 1.014 646 L CA -0.844 53.799 54.840 -0.328 0.000 0.815 646 L CB 2.033 43.852 42.059 -0.400 0.000 1.247 646 L HN 0.165 nan 8.230 nan 0.000 0.421 647 S N 3.105 118.737 115.700 -0.114 0.000 2.542 647 S HA 0.537 5.007 4.470 -0.000 0.000 0.293 647 S C -0.647 173.874 174.600 -0.131 0.000 1.089 647 S CA -0.882 57.290 58.200 -0.046 0.000 0.961 647 S CB 1.858 65.007 63.200 -0.086 0.000 1.062 647 S HN 0.608 nan 8.310 nan 0.000 0.483 648 L N 2.864 123.971 121.223 -0.193 0.000 2.615 648 L HA 0.456 4.796 4.340 -0.000 0.000 0.271 648 L C 0.092 176.876 176.870 -0.143 0.000 1.183 648 L CA 0.557 55.131 54.840 -0.444 0.000 0.933 648 L CB -0.274 41.129 42.059 -1.094 0.000 1.199 648 L HN 1.009 nan 8.230 nan 0.000 0.487 649 A N 5.345 128.087 122.820 -0.130 0.000 2.498 649 A HA 0.506 4.826 4.320 -0.000 0.000 0.298 649 A C -1.879 175.941 177.584 0.394 0.000 1.075 649 A CA -0.618 51.476 52.037 0.096 0.000 0.714 649 A CB 0.891 19.753 19.000 -0.229 0.000 1.299 649 A HN 0.756 nan 8.150 nan 0.000 0.407 650 W N 1.664 123.169 121.300 0.342 0.000 2.390 650 W HA 0.506 5.166 4.660 -0.000 0.000 0.312 650 W C -0.427 176.335 176.519 0.405 0.000 1.123 650 W CA -0.714 56.859 57.345 0.379 0.000 1.202 650 W CB 1.210 30.855 29.460 0.308 0.000 1.251 650 W HN 0.681 nan 8.180 nan 0.000 0.511 651 D N 3.281 123.904 120.400 0.371 0.000 2.848 651 D HA -0.063 4.577 4.640 -0.000 0.000 0.232 651 D C 1.788 177.816 176.300 -0.453 0.000 1.107 651 D CA 0.766 54.804 54.000 0.063 0.000 1.020 651 D CB -0.152 40.645 40.800 -0.006 0.000 1.148 651 D HN 0.372 nan 8.370 nan 0.000 0.453 652 S N 0.913 116.011 115.700 -1.004 0.000 2.387 652 S HA -0.227 4.243 4.470 -0.000 0.000 0.230 652 S C 1.615 175.766 174.600 -0.748 0.000 1.035 652 S CA 0.759 57.950 58.200 -1.682 0.000 1.014 652 S CB -0.164 62.092 63.200 -1.573 0.000 0.836 652 S HN 0.385 nan 8.310 nan 0.000 0.466 653 N N 0.932 119.349 118.700 -0.471 0.000 2.494 653 N HA 0.046 4.786 4.740 -0.000 0.000 0.182 653 N C 0.836 175.939 175.510 -0.679 0.000 1.076 653 N CA 1.108 53.838 53.050 -0.533 0.000 0.908 653 N CB -0.067 38.068 38.487 -0.586 0.000 0.967 653 N HN 0.717 nan 8.380 nan 0.000 0.449 654 H N -1.777 117.218 119.070 -0.125 0.000 2.916 654 H HA 0.197 4.753 4.556 -0.000 0.000 0.229 654 H C 0.571 175.889 175.328 -0.016 0.000 0.917 654 H CA 0.173 56.181 56.048 -0.067 0.000 1.048 654 H CB 0.774 30.484 29.762 -0.086 0.000 1.417 654 H HN 0.090 nan 8.280 nan 0.000 0.445 655 S N -0.312 115.459 115.700 0.119 0.000 2.757 655 S HA 0.094 4.564 4.470 -0.000 0.000 0.285 655 S C -0.756 174.045 174.600 0.334 0.000 1.196 655 S CA -0.313 57.989 58.200 0.169 0.000 0.856 655 S CB 1.277 64.544 63.200 0.111 0.000 1.212 655 S HN 0.207 nan 8.310 nan 0.000 0.516 656 D N -0.159 120.430 120.400 0.316 0.000 2.325 656 D HA 0.099 4.739 4.640 -0.000 0.000 0.225 656 D C 0.320 176.835 176.300 0.359 0.000 1.096 656 D CA -0.239 53.995 54.000 0.390 0.000 0.844 656 D CB -0.190 40.739 40.800 0.214 0.000 0.925 656 D HN 0.512 nan 8.370 nan 0.000 0.513 657 K N 1.080 121.662 120.400 0.303 0.000 2.451 657 K HA 0.052 4.372 4.320 -0.000 0.000 0.280 657 K C -0.287 176.555 176.600 0.404 0.000 1.020 657 K CA -0.210 56.218 56.287 0.235 0.000 1.008 657 K CB 0.530 33.056 32.500 0.043 0.000 0.917 657 K HN 0.011 nan 8.250 nan 0.000 0.478 658 I N 6.800 127.566 120.570 0.325 0.000 2.359 658 I HA 0.385 4.555 4.170 -0.000 0.000 0.294 658 I C -0.052 176.280 176.117 0.359 0.000 0.987 658 I CA -0.438 61.054 61.300 0.321 0.000 1.225 658 I CB 0.263 38.305 38.000 0.069 0.000 1.366 658 I HN 0.632 nan 8.210 nan 0.000 0.466 659 F N 2.240 122.211 119.950 0.035 0.000 2.741 659 F HA 0.729 5.256 4.527 -0.000 0.000 0.311 659 F C -0.016 175.813 175.800 0.048 0.000 1.149 659 F CA -1.288 56.746 58.000 0.056 0.000 0.930 659 F CB 1.362 40.420 39.000 0.098 0.000 1.312 659 F HN 0.443 nan 8.300 nan 0.000 0.450 660 G N 1.366 110.145 108.800 -0.036 0.000 2.372 660 G HA2 0.534 4.494 3.960 -0.000 0.000 0.286 660 G HA3 0.534 4.494 3.960 -0.000 0.000 0.286 660 G C -0.763 173.846 174.900 -0.485 0.000 1.153 660 G CA 0.086 45.075 45.100 -0.186 0.000 0.985 660 G HN 1.016 nan 8.290 nan 0.000 0.429 661 A N 2.862 125.275 122.820 -0.679 0.000 2.340 661 A HA 0.826 5.146 4.320 -0.000 0.000 0.331 661 A C 0.392 177.791 177.584 -0.308 0.000 1.140 661 A CA -0.504 51.168 52.037 -0.609 0.000 0.801 661 A CB 1.673 20.196 19.000 -0.796 0.000 1.234 661 A HN 0.692 nan 8.150 nan 0.000 0.469 662 T N 0.369 114.800 114.554 -0.204 0.000 2.849 662 T HA 0.567 4.917 4.350 -0.000 0.000 0.284 662 T C 0.978 175.640 174.700 -0.063 0.000 1.004 662 T CA 1.402 63.439 62.100 -0.105 0.000 1.021 662 T CB 0.259 69.088 68.868 -0.064 0.000 1.013 662 T HN 2.550 nan 8.240 nan 0.000 0.527 663 G N 2.319 111.105 108.800 -0.023 0.000 2.562 663 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.250 663 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.250 663 G C -0.737 174.168 174.900 0.008 0.000 1.269 663 G CA 0.320 45.418 45.100 -0.003 0.000 0.919 663 G HN 0.984 nan 8.290 nan 0.000 0.574 664 D N -1.660 118.771 120.400 0.052 0.000 2.936 664 D HA 0.664 5.304 4.640 -0.000 0.000 0.238 664 D C -1.220 175.219 176.300 0.231 0.000 1.248 664 D CA -0.246 53.816 54.000 0.104 0.000 0.903 664 D CB 1.199 42.059 40.800 0.101 0.000 1.544 664 D HN 0.783 nan 8.370 nan 0.000 0.543 665 Y N 1.889 122.233 120.300 0.073 0.000 2.641 665 Y HA 0.180 4.730 4.550 -0.000 0.000 0.333 665 Y C 0.144 176.133 175.900 0.149 0.000 1.174 665 Y CA -0.895 57.247 58.100 0.071 0.000 1.057 665 Y CB 1.530 39.998 38.460 0.013 0.000 1.322 665 Y HN 0.292 nan 8.280 nan 0.000 0.457 666 D N 0.490 120.468 120.400 -0.705 0.000 2.149 666 D HA -0.185 4.455 4.640 -0.000 0.000 0.194 666 D C 1.099 177.322 176.300 -0.129 0.000 1.001 666 D CA 2.425 56.193 54.000 -0.387 0.000 0.849 666 D CB -0.120 40.380 40.800 -0.500 0.000 0.939 666 D HN 0.683 nan 8.370 nan 0.000 0.449 667 D N -0.217 120.084 120.400 -0.166 0.000 2.378 667 D HA -0.101 4.539 4.640 -0.000 0.000 0.227 667 D C 0.975 177.227 176.300 -0.080 0.000 1.012 667 D CA 0.370 54.343 54.000 -0.044 0.000 0.905 667 D CB -0.538 40.277 40.800 0.025 0.000 0.895 667 D HN 0.251 nan 8.370 nan 0.000 0.532 668 Q N -1.081 118.671 119.800 -0.080 0.000 2.280 668 Q HA 0.141 4.481 4.340 -0.000 0.000 0.201 668 Q C -0.654 175.106 176.000 -0.401 0.000 0.890 668 Q CA -0.068 55.636 55.803 -0.166 0.000 0.947 668 Q CB 0.318 28.940 28.738 -0.193 0.000 1.081 668 Q HN 0.372 nan 8.270 nan 0.000 0.502 669 Y N -0.732 119.343 120.300 -0.374 0.000 2.377 669 Y HA 0.378 4.928 4.550 -0.000 0.000 0.339 669 Y C -0.754 174.893 175.900 -0.423 0.000 1.011 669 Y CA -0.926 57.012 58.100 -0.270 0.000 1.093 669 Y CB 1.093 39.380 38.460 -0.289 0.000 1.201 669 Y HN -0.009 nan 8.280 nan 0.000 0.455 670 W N 3.863 125.354 121.300 0.319 0.000 2.936 670 W HA 0.713 5.373 4.660 -0.000 0.000 0.338 670 W C -1.371 175.421 176.519 0.455 0.000 1.121 670 W CA -0.656 56.904 57.345 0.359 0.000 1.209 670 W CB 1.360 31.017 29.460 0.327 0.000 1.420 670 W HN 0.190 nan 8.180 nan 0.000 0.516 671 I N 4.598 125.551 120.570 0.637 0.000 2.359 671 I HA 0.284 4.454 4.170 -0.000 0.000 0.284 671 I C -2.264 174.057 176.117 0.340 0.000 1.018 671 I CA -2.177 59.446 61.300 0.538 0.000 1.173 671 I CB 1.218 39.516 38.000 0.495 0.000 1.326 671 I HN -0.085 nan 8.210 nan 0.000 0.462 672 P HA 0.392 nan 4.420 nan 0.000 0.286 672 P C -0.696 176.569 177.300 -0.058 0.000 1.269 672 P CA -0.233 62.709 63.100 -0.265 0.000 0.787 672 P CB 0.944 32.346 31.700 -0.497 0.000 0.920 673 I N 3.825 124.339 120.570 -0.093 0.000 2.439 673 I HA 0.185 4.354 4.170 -0.000 0.000 0.283 673 I C -0.106 175.872 176.117 -0.231 0.000 1.023 673 I CA -1.010 60.235 61.300 -0.091 0.000 1.100 673 I CB 1.492 39.461 38.000 -0.050 0.000 1.238 673 I HN 0.184 nan 8.210 nan 0.000 0.445 674 L N 7.495 128.486 121.223 -0.388 0.000 2.540 674 L HA 0.081 4.421 4.340 -0.000 0.000 0.276 674 L C -0.007 176.569 176.870 -0.489 0.000 1.212 674 L CA 0.901 55.247 54.840 -0.824 0.000 0.893 674 L CB 0.002 41.665 42.059 -0.660 0.000 1.138 674 L HN 0.496 nan 8.230 nan 0.000 0.491 675 Q N 2.377 121.864 119.800 -0.522 0.000 2.193 675 Q HA 0.259 4.599 4.340 -0.000 0.000 0.246 675 Q C 1.230 177.106 176.000 -0.206 0.000 0.959 675 Q CA 0.366 55.992 55.803 -0.295 0.000 0.904 675 Q CB 1.211 29.780 28.738 -0.283 0.000 1.238 675 Q HN 0.805 nan 8.270 nan 0.000 0.469 676 T N -2.671 111.818 114.554 -0.109 0.000 3.051 676 T HA -0.135 4.215 4.350 -0.000 0.000 0.269 676 T C 0.619 175.316 174.700 -0.005 0.000 1.127 676 T CA 1.442 63.520 62.100 -0.037 0.000 1.107 676 T CB -0.103 68.761 68.868 -0.006 0.000 0.898 676 T HN 0.580 nan 8.240 nan 0.000 0.517 677 D N 0.042 120.418 120.400 -0.040 0.000 2.340 677 D HA 0.306 4.946 4.640 -0.000 0.000 0.217 677 D C 1.589 177.920 176.300 0.052 0.000 1.081 677 D CA 0.319 54.340 54.000 0.035 0.000 0.842 677 D CB -0.524 40.294 40.800 0.029 0.000 0.934 677 D HN 0.528 nan 8.370 nan 0.000 0.511 678 G N 0.060 108.822 108.800 -0.064 0.000 2.195 678 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.246 678 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.246 678 G C 0.522 175.280 174.900 -0.237 0.000 0.984 678 G CA 0.398 45.453 45.100 -0.075 0.000 0.633 678 G HN 0.818 nan 8.290 nan 0.000 0.525 679 S N -0.497 114.950 115.700 -0.422 0.000 2.661 679 S HA 0.834 5.304 4.470 -0.000 0.000 0.265 679 S C -0.228 174.028 174.600 -0.573 0.000 1.225 679 S CA -0.473 57.386 58.200 -0.569 0.000 0.986 679 S CB 1.489 64.139 63.200 -0.917 0.000 1.008 679 S HN 0.534 nan 8.310 nan 0.000 0.565 680 F N -0.779 119.019 119.950 -0.254 0.000 2.577 680 F HA 0.648 5.175 4.527 -0.000 0.000 0.318 680 F C -0.061 175.536 175.800 -0.337 0.000 1.065 680 F CA -0.926 56.856 58.000 -0.363 0.000 0.929 680 F CB 1.756 40.430 39.000 -0.544 0.000 1.237 680 F HN 0.462 nan 8.300 nan 0.000 0.468 681 I N 1.700 122.103 120.570 -0.278 0.000 2.603 681 I HA 0.410 4.580 4.170 -0.000 0.000 0.300 681 I C -1.387 174.449 176.117 -0.468 0.000 1.017 681 I CA -0.649 60.518 61.300 -0.223 0.000 1.098 681 I CB 1.821 39.739 38.000 -0.136 0.000 1.279 681 I HN 0.376 nan 8.210 nan 0.000 0.437 682 F N 4.957 124.774 119.950 -0.221 0.000 2.434 682 F HA 0.496 5.023 4.527 -0.000 0.000 0.355 682 F C 0.155 176.079 175.800 0.206 0.000 1.115 682 F CA -0.667 57.267 58.000 -0.110 0.000 1.010 682 F CB 1.016 39.687 39.000 -0.549 0.000 1.234 682 F HN 0.178 nan 8.300 nan 0.000 0.439 683 R N 1.738 122.489 120.500 0.418 0.000 2.410 683 R HA 0.187 4.527 4.340 -0.000 0.000 0.288 683 R C 0.007 176.546 176.300 0.397 0.000 1.051 683 R CA -0.726 55.591 56.100 0.361 0.000 1.021 683 R CB 0.807 31.234 30.300 0.212 0.000 1.032 683 R HN 0.538 nan 8.270 nan 0.000 0.481 684 N N 2.132 120.888 118.700 0.093 0.000 2.488 684 N HA -0.079 4.661 4.740 -0.000 0.000 0.274 684 N C 0.571 175.998 175.510 -0.137 0.000 1.111 684 N CA 0.138 52.934 53.050 -0.423 0.000 0.974 684 N CB 0.659 38.850 38.487 -0.493 0.000 1.089 684 N HN 0.573 nan 8.380 nan 0.000 0.465 685 Y N 4.592 124.738 120.300 -0.256 0.000 2.151 685 Y HA -0.247 4.303 4.550 -0.000 0.000 0.284 685 Y C 2.401 178.221 175.900 -0.134 0.000 1.166 685 Y CA 1.982 59.988 58.100 -0.156 0.000 1.163 685 Y CB 0.128 38.485 38.460 -0.172 0.000 0.974 685 Y HN 0.642 nan 8.280 nan 0.000 0.511 686 K N -0.090 120.286 120.400 -0.039 0.000 2.097 686 K HA -0.164 4.156 4.320 -0.000 0.000 0.205 686 K C 0.017 176.607 176.600 -0.017 0.000 1.050 686 K CA 1.374 57.625 56.287 -0.060 0.000 0.938 686 K CB -0.059 32.438 32.500 -0.006 0.000 0.718 686 K HN 0.202 nan 8.250 nan 0.000 0.442 687 N N -0.277 118.482 118.700 0.099 0.000 2.640 687 N HA 0.200 4.940 4.740 -0.000 0.000 0.262 687 N C -2.650 172.849 175.510 -0.019 0.000 1.174 687 N CA -1.951 51.136 53.050 0.063 0.000 0.791 687 N CB 1.825 40.438 38.487 0.209 0.000 1.279 687 N HN -0.170 nan 8.380 nan 0.000 0.535 688 P HA 0.002 nan 4.420 nan 0.000 0.231 688 P C 0.770 178.074 177.300 0.008 0.000 1.158 688 P CA 0.652 63.745 63.100 -0.012 0.000 0.763 688 P CB 0.316 32.004 31.700 -0.020 0.000 0.805 689 N N -0.434 118.258 118.700 -0.013 0.000 2.494 689 N HA -0.056 4.684 4.740 -0.000 0.000 0.182 689 N C 0.240 175.718 175.510 -0.054 0.000 1.076 689 N CA 0.735 53.778 53.050 -0.012 0.000 0.908 689 N CB -0.185 38.303 38.487 0.001 0.000 0.967 689 N HN -0.072 nan 8.380 nan 0.000 0.449 690 K N 1.042 121.370 120.400 -0.120 0.000 2.156 690 K HA 0.306 4.626 4.320 -0.000 0.000 0.271 690 K C 0.280 176.875 176.600 -0.008 0.000 0.995 690 K CA -0.533 55.621 56.287 -0.221 0.000 0.890 690 K CB 1.620 33.698 32.500 -0.704 0.000 1.073 690 K HN 0.196 nan 8.250 nan 0.000 0.454 691 I N -1.285 119.306 120.570 0.035 0.000 3.108 691 I HA 0.589 4.759 4.170 -0.000 0.000 0.312 691 I C -0.690 175.503 176.117 0.128 0.000 1.095 691 I CA -1.449 59.946 61.300 0.157 0.000 1.000 691 I CB 1.850 39.867 38.000 0.029 0.000 1.229 691 I HN 0.367 nan 8.210 nan 0.000 0.454 692 F N 1.278 121.215 119.950 -0.021 0.000 2.404 692 F HA 0.953 5.480 4.527 -0.000 0.000 0.354 692 F C 0.033 175.925 175.800 0.153 0.000 1.122 692 F CA -0.426 57.495 58.000 -0.132 0.000 1.080 692 F CB 0.909 39.550 39.000 -0.598 0.000 1.131 692 F HN 0.782 nan 8.300 nan 0.000 0.471 693 G N 1.701 110.712 108.800 0.352 0.000 2.815 693 G HA2 0.603 4.563 3.960 -0.000 0.000 0.305 693 G HA3 0.603 4.563 3.960 -0.000 0.000 0.305 693 G C -1.427 173.608 174.900 0.225 0.000 1.277 693 G CA -0.493 44.803 45.100 0.326 0.000 0.795 693 G HN 0.869 nan 8.290 nan 0.000 0.528 694 T N -1.512 113.089 114.554 0.079 0.000 2.888 694 T HA 0.556 4.906 4.350 -0.000 0.000 0.284 694 T C -0.446 174.266 174.700 0.021 0.000 1.017 694 T CA -0.778 61.355 62.100 0.055 0.000 1.022 694 T CB 1.819 70.694 68.868 0.010 0.000 1.013 694 T HN 0.294 nan 8.240 nan 0.000 0.465 695 N N 1.380 120.099 118.700 0.031 0.000 2.452 695 N HA 0.505 5.245 4.740 -0.000 0.000 0.266 695 N C 1.104 176.617 175.510 0.004 0.000 1.175 695 N CA 1.659 54.719 53.050 0.018 0.000 0.945 695 N CB 0.139 38.643 38.487 0.028 0.000 1.063 695 N HN 1.179 nan 8.380 nan 0.000 0.472 696 G N 2.057 110.852 108.800 -0.008 0.000 2.598 696 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.269 696 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.269 696 G C -0.756 174.128 174.900 -0.027 0.000 1.289 696 G CA -0.477 44.614 45.100 -0.015 0.000 0.926 696 G HN 0.549 nan 8.290 nan 0.000 0.567 697 Q N 1.523 121.309 119.800 -0.023 0.000 2.337 697 Q HA 0.327 4.667 4.340 -0.000 0.000 0.270 697 Q C -1.822 174.164 176.000 -0.024 0.000 1.002 697 Q CA -1.082 54.704 55.803 -0.029 0.000 0.888 697 Q CB 0.551 29.279 28.738 -0.017 0.000 1.222 697 Q HN 0.516 nan 8.270 nan 0.000 0.400 698 P HA 0.177 nan 4.420 nan 0.000 0.276 698 P C -0.372 176.928 177.300 0.001 0.000 1.253 698 P CA 0.107 63.193 63.100 -0.024 0.000 0.766 698 P CB 0.303 31.966 31.700 -0.061 0.000 0.845 699 I N -0.621 119.959 120.570 0.017 0.000 3.145 699 I HA 0.544 4.714 4.170 -0.000 0.000 0.313 699 I C -0.172 175.965 176.117 0.033 0.000 1.122 699 I CA -1.715 59.599 61.300 0.024 0.000 0.987 699 I CB 1.806 39.819 38.000 0.021 0.000 1.236 699 I HN 0.004 nan 8.210 nan 0.000 0.453 700 N N 2.248 120.967 118.700 0.032 0.000 2.412 700 N HA -0.031 4.709 4.740 -0.000 0.000 0.258 700 N C 0.103 175.634 175.510 0.034 0.000 1.236 700 N CA 1.210 54.280 53.050 0.033 0.000 0.882 700 N CB 0.066 38.567 38.487 0.024 0.000 1.066 700 N HN 0.800 nan 8.380 nan 0.000 0.465 701 D N 0.442 120.866 120.400 0.041 0.000 3.099 701 D HA -0.192 4.448 4.640 -0.000 0.000 0.213 701 D C -0.580 175.746 176.300 0.044 0.000 1.121 701 D CA 0.945 54.969 54.000 0.040 0.000 0.951 701 D CB -1.424 39.392 40.800 0.027 0.000 1.102 701 D HN 0.654 nan 8.370 nan 0.000 0.423 702 I N -1.704 118.896 120.570 0.051 0.000 2.365 702 I HA 0.513 4.683 4.170 -0.000 0.000 0.291 702 I C -2.250 173.909 176.117 0.071 0.000 1.004 702 I CA -1.707 59.625 61.300 0.053 0.000 1.311 702 I CB 1.287 39.314 38.000 0.045 0.000 1.401 702 I HN -0.288 nan 8.210 nan 0.000 0.491 703 P HA 0.135 nan 4.420 nan 0.000 0.268 703 P C -0.404 176.956 177.300 0.099 0.000 1.205 703 P CA -0.117 63.032 63.100 0.081 0.000 0.771 703 P CB 0.767 32.512 31.700 0.074 0.000 0.858 704 L N 2.850 124.138 121.223 0.108 0.000 2.461 704 L HA 0.215 4.555 4.340 -0.000 0.000 0.272 704 L C 1.102 178.048 176.870 0.127 0.000 1.197 704 L CA 0.376 55.298 54.840 0.136 0.000 0.836 704 L CB -0.172 41.935 42.059 0.080 0.000 1.105 704 L HN 0.303 nan 8.230 nan 0.000 0.477 705 K N 1.664 122.149 120.400 0.141 0.000 2.422 705 K HA 0.590 4.910 4.320 -0.000 0.000 0.251 705 K C -0.816 175.853 176.600 0.114 0.000 0.933 705 K CA -0.665 55.699 56.287 0.128 0.000 0.798 705 K CB 2.334 34.893 32.500 0.097 0.000 1.238 705 K HN 0.640 nan 8.250 nan 0.000 0.428 706 A N 2.764 125.632 122.820 0.080 0.000 2.409 706 A HA 0.376 4.696 4.320 -0.000 0.000 0.262 706 A C -0.262 177.261 177.584 -0.101 0.000 1.113 706 A CA -0.057 51.923 52.037 -0.096 0.000 0.790 706 A CB 0.114 18.787 19.000 -0.545 0.000 1.046 706 A HN 0.711 nan 8.150 nan 0.000 0.496 707 Q N 1.503 121.239 119.800 -0.105 0.000 2.435 707 Q HA 0.429 4.769 4.340 -0.000 0.000 0.282 707 Q C -1.727 174.227 176.000 -0.076 0.000 1.020 707 Q CA -1.144 54.620 55.803 -0.065 0.000 0.820 707 Q CB 1.018 29.748 28.738 -0.014 0.000 1.436 707 Q HN 0.506 nan 8.270 nan 0.000 0.395 708 D N 1.225 121.593 120.400 -0.052 0.000 2.488 708 D HA 0.111 4.751 4.640 -0.000 0.000 0.238 708 D C -0.059 176.225 176.300 -0.025 0.000 1.138 708 D CA 0.010 53.988 54.000 -0.037 0.000 0.873 708 D CB 0.897 41.688 40.800 -0.014 0.000 1.183 708 D HN 0.320 nan 8.370 nan 0.000 0.458 709 V N 2.415 122.318 119.914 -0.018 0.000 2.599 709 V HA 0.040 4.160 4.120 -0.000 0.000 0.300 709 V C 1.498 177.582 176.094 -0.016 0.000 1.034 709 V CA 0.707 62.998 62.300 -0.015 0.000 1.115 709 V CB 1.024 32.844 31.823 -0.004 0.000 0.934 709 V HN 0.718 nan 8.190 nan 0.000 0.485 710 T N 2.157 116.696 114.554 -0.025 0.000 3.009 710 T HA 0.339 4.689 4.350 -0.000 0.000 0.267 710 T C 1.348 176.028 174.700 -0.033 0.000 0.942 710 T CA 0.992 63.077 62.100 -0.025 0.000 0.883 710 T CB 0.001 68.854 68.868 -0.026 0.000 1.192 710 T HN 1.357 nan 8.240 nan 0.000 0.524 711 G N 1.813 110.587 108.800 -0.044 0.000 2.184 711 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.264 711 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.264 711 G C 0.121 174.980 174.900 -0.069 0.000 0.975 711 G CA 0.359 45.426 45.100 -0.056 0.000 0.642 711 G HN 0.542 nan 8.290 nan 0.000 0.536 712 Q N -0.023 119.736 119.800 -0.067 0.000 2.443 712 Q HA 0.267 4.607 4.340 -0.000 0.000 0.232 712 Q C 1.216 177.150 176.000 -0.110 0.000 1.026 712 Q CA -0.376 55.382 55.803 -0.075 0.000 0.924 712 Q CB 0.229 28.930 28.738 -0.062 0.000 1.256 712 Q HN 0.235 nan 8.270 nan 0.000 0.519 713 N N 1.208 119.839 118.700 -0.116 0.000 2.381 713 N HA -0.147 4.593 4.740 -0.000 0.000 0.182 713 N C 1.042 176.419 175.510 -0.222 0.000 1.025 713 N CA 0.977 53.930 53.050 -0.162 0.000 0.888 713 N CB -0.286 38.123 38.487 -0.129 0.000 0.965 713 N HN 0.584 nan 8.380 nan 0.000 0.438 714 N N 0.351 118.942 118.700 -0.181 0.000 2.609 714 N HA -0.106 4.634 4.740 -0.000 0.000 0.190 714 N C 0.732 176.096 175.510 -0.243 0.000 1.157 714 N CA 0.689 53.613 53.050 -0.211 0.000 0.918 714 N CB -0.100 38.314 38.487 -0.123 0.000 0.978 714 N HN 0.329 nan 8.380 nan 0.000 0.448 715 Q N -0.960 118.700 119.800 -0.233 0.000 2.189 715 Q HA 0.225 4.565 4.340 -0.000 0.000 0.223 715 Q C -0.506 175.358 176.000 -0.227 0.000 0.828 715 Q CA -0.005 55.700 55.803 -0.164 0.000 0.967 715 Q CB 0.672 29.357 28.738 -0.088 0.000 1.139 715 Q HN 0.317 nan 8.270 nan 0.000 0.497 716 K N 0.293 120.432 120.400 -0.435 0.000 2.259 716 K HA 0.480 4.800 4.320 -0.000 0.000 0.252 716 K C -1.494 174.732 176.600 -0.623 0.000 0.936 716 K CA -0.416 55.645 56.287 -0.377 0.000 0.810 716 K CB 1.418 33.714 32.500 -0.339 0.000 1.143 716 K HN -0.098 nan 8.250 nan 0.000 0.427 717 W N 1.428 122.665 121.300 -0.105 0.000 2.883 717 W HA 0.351 5.011 4.660 -0.000 0.000 0.335 717 W C -0.938 175.561 176.519 -0.033 0.000 1.083 717 W CA -0.565 56.804 57.345 0.041 0.000 1.233 717 W CB 0.817 30.483 29.460 0.342 0.000 1.412 717 W HN 0.377 nan 8.180 nan 0.000 0.490 718 Y N 2.579 123.067 120.300 0.314 0.000 2.308 718 Y HA 0.496 5.045 4.550 -0.000 0.000 0.329 718 Y C 0.364 176.439 175.900 0.292 0.000 1.111 718 Y CA -0.836 57.381 58.100 0.195 0.000 1.179 718 Y CB 0.779 39.263 38.460 0.040 0.000 1.201 718 Y HN 0.054 nan 8.280 nan 0.000 0.483 719 L N 4.492 125.975 121.223 0.434 0.000 2.264 719 L HA 0.487 4.827 4.340 -0.000 0.000 0.289 719 L C 0.076 177.151 176.870 0.342 0.000 1.044 719 L CA -0.678 54.321 54.840 0.264 0.000 0.807 719 L CB 1.077 43.199 42.059 0.106 0.000 1.192 719 L HN 0.501 nan 8.230 nan 0.000 0.425 720 R N 1.965 122.636 120.500 0.284 0.000 2.196 720 R HA 0.168 4.508 4.340 -0.000 0.000 0.340 720 R C -0.433 175.986 176.300 0.198 0.000 1.043 720 R CA -0.578 55.684 56.100 0.270 0.000 0.883 720 R CB 0.334 30.783 30.300 0.247 0.000 1.078 720 R HN 0.469 nan 8.270 nan 0.000 0.462 721 H N 5.927 124.980 119.070 -0.027 0.000 2.908 721 H HA 0.132 4.688 4.556 -0.000 0.000 0.269 721 H C 0.515 175.728 175.328 -0.191 0.000 1.303 721 H CA -0.428 55.376 56.048 -0.407 0.000 1.341 721 H CB 0.323 29.892 29.762 -0.322 0.000 1.519 721 H HN 0.756 nan 8.280 nan 0.000 0.505 722 L N 2.782 123.962 121.223 -0.071 0.000 2.141 722 L HA -0.128 4.212 4.340 -0.000 0.000 0.209 722 L C 1.910 178.707 176.870 -0.123 0.000 1.094 722 L CA 0.804 55.637 54.840 -0.011 0.000 0.763 722 L CB -0.165 41.936 42.059 0.071 0.000 0.908 722 L HN 0.459 nan 8.230 nan 0.000 0.437 723 N N -0.170 118.371 118.700 -0.265 0.000 2.521 723 N HA -0.063 4.677 4.740 -0.000 0.000 0.188 723 N C 0.975 176.198 175.510 -0.477 0.000 1.146 723 N CA 0.429 53.320 53.050 -0.264 0.000 0.893 723 N CB 0.029 38.469 38.487 -0.079 0.000 0.975 723 N HN 0.369 nan 8.380 nan 0.000 0.451 724 S N -1.216 114.008 115.700 -0.793 0.000 2.596 724 S HA 0.183 4.653 4.470 -0.000 0.000 0.262 724 S C 1.126 175.568 174.600 -0.264 0.000 1.218 724 S CA 0.098 57.891 58.200 -0.679 0.000 0.998 724 S CB 0.671 63.496 63.200 -0.624 0.000 1.060 724 S HN 0.202 nan 8.310 nan 0.000 0.552 725 S N -1.108 114.493 115.700 -0.166 0.000 2.629 725 S HA 0.273 4.743 4.470 -0.000 0.000 0.236 725 S C 0.081 174.602 174.600 -0.132 0.000 1.010 725 S CA -0.691 57.441 58.200 -0.113 0.000 0.981 725 S CB -0.697 62.476 63.200 -0.044 0.000 0.919 725 S HN 0.655 nan 8.310 nan 0.000 0.514 726 N N 3.733 122.344 118.700 -0.148 0.000 3.245 726 N HA 0.207 4.947 4.740 -0.000 0.000 0.296 726 N C -1.030 174.305 175.510 -0.292 0.000 1.254 726 N CA 0.065 53.010 53.050 -0.174 0.000 1.190 726 N CB 0.101 38.524 38.487 -0.108 0.000 1.460 726 N HN 0.474 nan 8.380 nan 0.000 0.538 727 N N 0.715 119.213 118.700 -0.336 0.000 2.370 727 N HA 0.306 5.046 4.740 -0.000 0.000 0.303 727 N C -0.396 174.959 175.510 -0.257 0.000 1.103 727 N CA -0.389 52.419 53.050 -0.403 0.000 0.848 727 N CB 1.147 39.139 38.487 -0.825 0.000 1.235 727 N HN 0.030 nan 8.380 nan 0.000 0.496 728 F N 0.898 120.824 119.950 -0.039 0.000 2.495 728 F HA 0.159 4.686 4.527 -0.000 0.000 0.365 728 F C 1.495 177.408 175.800 0.188 0.000 1.090 728 F CA -0.018 57.953 58.000 -0.050 0.000 1.235 728 F CB 0.537 39.208 39.000 -0.548 0.000 1.119 728 F HN 0.297 nan 8.300 nan 0.000 0.562 729 T N 0.336 115.144 114.554 0.423 0.000 2.900 729 T HA 0.821 5.171 4.350 -0.000 0.000 0.295 729 T C -0.013 174.826 174.700 0.232 0.000 1.044 729 T CA -0.287 61.992 62.100 0.298 0.000 0.995 729 T CB 1.598 70.566 68.868 0.167 0.000 1.072 729 T HN 1.293 nan 8.240 nan 0.000 0.473 730 G N 1.095 109.907 108.800 0.019 0.000 2.508 730 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.220 730 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.220 730 G C -1.411 173.198 174.900 -0.486 0.000 1.287 730 G CA -0.520 44.426 45.100 -0.256 0.000 0.916 730 G HN 0.971 nan 8.290 nan 0.000 0.574 731 Y N -0.440 119.600 120.300 -0.433 0.000 2.409 731 Y HA 0.781 5.331 4.550 -0.000 0.000 0.339 731 Y C 0.151 175.679 175.900 -0.619 0.000 1.033 731 Y CA -0.458 57.441 58.100 -0.334 0.000 1.094 731 Y CB 1.831 40.170 38.460 -0.202 0.000 1.210 731 Y HN 0.519 nan 8.280 nan 0.000 0.456 732 F N 0.355 120.457 119.950 0.253 0.000 2.608 732 F HA 0.349 4.876 4.527 -0.000 0.000 0.309 732 F C -0.607 175.330 175.800 0.228 0.000 1.103 732 F CA -1.280 56.854 58.000 0.224 0.000 0.954 732 F CB 1.626 40.760 39.000 0.224 0.000 1.267 732 F HN 0.387 nan 8.300 nan 0.000 0.444 733 N N 2.466 121.394 118.700 0.380 0.000 2.472 733 N HA 0.521 5.261 4.740 -0.000 0.000 0.277 733 N C -1.066 174.565 175.510 0.201 0.000 1.081 733 N CA -0.394 52.834 53.050 0.296 0.000 0.973 733 N CB 1.167 39.800 38.487 0.244 0.000 1.105 733 N HN 0.409 nan 8.380 nan 0.000 0.470 734 I N 2.147 122.768 120.570 0.084 0.000 2.307 734 I HA 0.118 4.288 4.170 -0.000 0.000 0.287 734 I C 0.280 176.413 176.117 0.027 0.000 1.054 734 I CA -0.349 60.805 61.300 -0.245 0.000 1.218 734 I CB 0.376 38.014 38.000 -0.603 0.000 1.398 734 I HN 0.492 nan 8.210 nan 0.000 0.475 735 S N 4.049 119.819 115.700 0.116 0.000 2.608 735 S HA 0.475 4.945 4.470 -0.000 0.000 0.291 735 S C -0.155 174.629 174.600 0.306 0.000 1.146 735 S CA -0.650 57.705 58.200 0.259 0.000 1.043 735 S CB 1.980 65.318 63.200 0.230 0.000 1.037 735 S HN 0.476 nan 8.310 nan 0.000 0.520 736 S N 0.801 116.612 115.700 0.184 0.000 2.513 736 S HA 0.221 4.691 4.470 -0.000 0.000 0.276 736 S C 1.107 175.636 174.600 -0.118 0.000 1.254 736 S CA -0.635 57.484 58.200 -0.135 0.000 1.053 736 S CB 0.698 63.859 63.200 -0.064 0.000 0.958 736 S HN 0.921 nan 8.310 nan 0.000 0.491 737 K N 3.920 124.202 120.400 -0.197 0.000 2.160 737 K HA -0.178 4.142 4.320 -0.000 0.000 0.206 737 K C 1.864 178.379 176.600 -0.141 0.000 1.047 737 K CA 1.835 58.055 56.287 -0.111 0.000 0.930 737 K CB -0.167 32.258 32.500 -0.126 0.000 0.720 737 K HN 0.549 nan 8.250 nan 0.000 0.450 738 K N 0.581 120.825 120.400 -0.261 0.000 2.097 738 K HA -0.091 4.229 4.320 -0.000 0.000 0.205 738 K C -0.118 176.230 176.600 -0.420 0.000 1.050 738 K CA 1.199 57.254 56.287 -0.387 0.000 0.938 738 K CB 0.141 32.250 32.500 -0.651 0.000 0.718 738 K HN 0.146 nan 8.250 nan 0.000 0.442 739 N N -0.426 118.037 118.700 -0.394 0.000 2.655 739 N HA 0.011 4.751 4.740 -0.000 0.000 0.277 739 N C -0.100 175.333 175.510 -0.128 0.000 1.177 739 N CA -0.585 52.300 53.050 -0.275 0.000 0.882 739 N CB 0.397 38.607 38.487 -0.461 0.000 1.481 739 N HN 0.032 nan 8.380 nan 0.000 0.547 740 F N 2.839 122.763 119.950 -0.044 0.000 2.451 740 F HA 0.177 4.704 4.527 -0.000 0.000 0.299 740 F C 1.225 177.076 175.800 0.085 0.000 1.101 740 F CA 0.599 58.621 58.000 0.036 0.000 1.436 740 F CB -0.117 38.920 39.000 0.061 0.000 1.074 740 F HN 0.328 nan 8.300 nan 0.000 0.553 741 N N 0.235 118.449 118.700 -0.810 0.000 2.398 741 N HA -0.005 4.735 4.740 -0.000 0.000 0.188 741 N C -0.503 174.908 175.510 -0.165 0.000 1.122 741 N CA 0.192 52.906 53.050 -0.560 0.000 0.866 741 N CB 0.046 38.102 38.487 -0.718 0.000 0.970 741 N HN 0.053 nan 8.380 nan 0.000 0.462 742 K N 1.288 121.649 120.400 -0.065 0.000 2.263 742 K HA 0.297 4.617 4.320 -0.000 0.000 0.272 742 K C -0.283 176.448 176.600 0.219 0.000 1.033 742 K CA -0.481 55.872 56.287 0.111 0.000 0.884 742 K CB 1.346 33.980 32.500 0.223 0.000 1.107 742 K HN 0.238 nan 8.250 nan 0.000 0.460 743 I N -0.271 120.445 120.570 0.242 0.000 2.934 743 I HA 0.493 4.663 4.170 -0.000 0.000 0.306 743 I C -0.177 176.104 176.117 0.273 0.000 1.110 743 I CA -1.309 60.152 61.300 0.269 0.000 1.019 743 I CB 1.607 39.740 38.000 0.222 0.000 1.227 743 I HN 0.349 nan 8.210 nan 0.000 0.434 744 I N 3.303 123.998 120.570 0.208 0.000 2.598 744 I HA 0.141 4.311 4.170 -0.000 0.000 0.284 744 I C -0.244 176.110 176.117 0.396 0.000 1.140 744 I CA 0.699 62.079 61.300 0.134 0.000 1.420 744 I CB 0.691 38.494 38.000 -0.327 0.000 1.387 744 I HN 0.645 nan 8.210 nan 0.000 0.553 745 T N 7.308 122.061 114.554 0.331 0.000 2.881 745 T HA 0.325 4.675 4.350 -0.000 0.000 0.290 745 T C -0.281 174.567 174.700 0.246 0.000 1.000 745 T CA -0.615 61.644 62.100 0.265 0.000 0.978 745 T CB 1.789 70.746 68.868 0.148 0.000 0.997 745 T HN 0.518 nan 8.240 nan 0.000 0.443 746 M N 4.575 124.265 119.600 0.150 0.000 2.200 746 M HA 0.278 4.758 4.480 -0.000 0.000 0.355 746 M C 0.418 176.713 176.300 -0.009 0.000 1.283 746 M CA -0.624 54.728 55.300 0.086 0.000 1.124 746 M CB 0.414 32.972 32.600 -0.069 0.000 1.625 746 M HN 0.727 nan 8.290 nan 0.000 0.463 747 N N 3.086 121.796 118.700 0.017 0.000 2.317 747 N HA 0.060 4.800 4.740 -0.000 0.000 0.245 747 N C 0.476 175.957 175.510 -0.048 0.000 1.294 747 N CA 0.138 53.177 53.050 -0.018 0.000 0.924 747 N CB 0.070 38.565 38.487 0.014 0.000 1.186 747 N HN 0.729 nan 8.380 nan 0.000 0.495 748 S N -0.325 115.341 115.700 -0.057 0.000 2.382 748 S HA -0.184 4.286 4.470 -0.000 0.000 0.228 748 S C 1.267 175.841 174.600 -0.044 0.000 1.027 748 S CA 1.131 59.294 58.200 -0.063 0.000 0.991 748 S CB -0.843 62.321 63.200 -0.060 0.000 0.823 748 S HN 0.708 nan 8.310 nan 0.000 0.469 749 N N 1.392 120.075 118.700 -0.027 0.000 2.453 749 N HA 0.004 4.744 4.740 -0.000 0.000 0.183 749 N C -0.408 175.093 175.510 -0.015 0.000 1.041 749 N CA 0.424 53.463 53.050 -0.019 0.000 0.900 749 N CB -0.132 38.349 38.487 -0.010 0.000 0.961 749 N HN 0.381 nan 8.380 nan 0.000 0.443 750 K N -0.860 119.532 120.400 -0.013 0.000 3.167 750 K HA -0.159 4.161 4.320 -0.000 0.000 0.272 750 K C 0.551 177.164 176.600 0.023 0.000 1.137 750 K CA 0.920 57.207 56.287 -0.001 0.000 0.800 750 K CB -2.141 30.351 32.500 -0.012 0.000 1.253 750 K HN 0.449 nan 8.250 nan 0.000 0.497 751 T N -3.568 111.001 114.554 0.025 0.000 3.018 751 T HA 0.070 4.420 4.350 -0.000 0.000 0.246 751 T C 0.557 175.288 174.700 0.051 0.000 1.026 751 T CA 0.051 62.168 62.100 0.029 0.000 1.081 751 T CB 0.368 69.243 68.868 0.011 0.000 0.970 751 T HN 0.303 nan 8.240 nan 0.000 0.475 752 Q N 0.060 119.895 119.800 0.059 0.000 2.456 752 Q HA 0.741 5.081 4.340 -0.000 0.000 0.284 752 Q C -1.609 174.449 176.000 0.097 0.000 1.061 752 Q CA -1.203 54.640 55.803 0.067 0.000 0.799 752 Q CB 2.408 31.166 28.738 0.034 0.000 1.445 752 Q HN 0.371 nan 8.270 nan 0.000 0.411 753 A N 1.038 123.912 122.820 0.090 0.000 2.309 753 A HA 0.752 5.072 4.320 -0.000 0.000 0.298 753 A C -0.217 177.413 177.584 0.076 0.000 1.165 753 A CA -0.393 51.703 52.037 0.098 0.000 0.821 753 A CB 0.446 19.439 19.000 -0.012 0.000 1.102 753 A HN 0.549 nan 8.150 nan 0.000 0.500 754 V N 0.380 120.363 119.914 0.115 0.000 3.167 754 V HA 0.818 4.938 4.120 -0.000 0.000 0.310 754 V C -0.552 175.643 176.094 0.168 0.000 1.207 754 V CA -0.983 61.393 62.300 0.125 0.000 1.059 754 V CB 1.418 33.331 31.823 0.150 0.000 1.079 754 V HN 0.810 nan 8.190 nan 0.000 0.446 755 I N 1.317 121.987 120.570 0.165 0.000 2.428 755 I HA 0.806 4.976 4.170 -0.000 0.000 0.296 755 I C -0.864 175.409 176.117 0.260 0.000 0.985 755 I CA -0.559 60.859 61.300 0.197 0.000 1.260 755 I CB 1.218 39.277 38.000 0.098 0.000 1.389 755 I HN 0.752 nan 8.210 nan 0.000 0.484 756 F N 4.508 124.519 119.950 0.102 0.000 2.688 756 F HA 0.289 4.816 4.527 -0.000 0.000 0.308 756 F C -0.803 175.034 175.800 0.060 0.000 1.117 756 F CA -1.014 57.027 58.000 0.069 0.000 0.976 756 F CB 1.139 40.170 39.000 0.052 0.000 1.291 756 F HN 0.416 nan 8.300 nan 0.000 0.439 757 D N 2.790 123.241 120.400 0.086 0.000 2.601 757 D HA -0.103 4.537 4.640 -0.000 0.000 0.229 757 D C -0.105 176.337 176.300 0.236 0.000 1.140 757 D CA 0.609 54.678 54.000 0.116 0.000 0.862 757 D CB 0.418 41.238 40.800 0.034 0.000 1.192 757 D HN 0.345 nan 8.370 nan 0.000 0.480 758 N N 1.811 120.577 118.700 0.109 0.000 2.427 758 N HA -0.000 4.740 4.740 -0.000 0.000 0.269 758 N C 0.459 176.009 175.510 0.066 0.000 1.235 758 N CA 0.017 53.122 53.050 0.091 0.000 0.934 758 N CB 0.084 38.605 38.487 0.057 0.000 1.121 758 N HN 0.432 nan 8.380 nan 0.000 0.480 759 I N -0.039 120.568 120.570 0.061 0.000 4.050 759 I HA 0.399 4.569 4.170 -0.000 0.000 0.327 759 I C 1.023 177.127 176.117 -0.022 0.000 1.473 759 I CA -0.563 60.751 61.300 0.023 0.000 1.124 759 I CB 0.086 38.110 38.000 0.040 0.000 1.129 759 I HN 0.439 nan 8.210 nan 0.000 0.428 760 G N 3.274 112.061 108.800 -0.023 0.000 2.198 760 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.257 760 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.257 760 G C 0.066 174.924 174.900 -0.071 0.000 1.042 760 G CA 0.611 45.685 45.100 -0.043 0.000 0.791 760 G HN 0.767 nan 8.290 nan 0.000 0.502 761 I N -4.287 116.231 120.570 -0.087 0.000 2.676 761 I HA 0.509 4.679 4.170 -0.000 0.000 0.309 761 I C 1.354 177.376 176.117 -0.157 0.000 0.990 761 I CA -1.238 59.989 61.300 -0.122 0.000 1.168 761 I CB 0.871 38.786 38.000 -0.141 0.000 1.343 761 I HN -0.122 nan 8.210 nan 0.000 0.482 762 N N 2.644 121.239 118.700 -0.175 0.000 2.069 762 N HA -0.224 4.516 4.740 -0.000 0.000 0.196 762 N C 1.091 176.424 175.510 -0.295 0.000 1.024 762 N CA 1.996 54.916 53.050 -0.218 0.000 0.869 762 N CB -0.392 37.980 38.487 -0.192 0.000 1.035 762 N HN 0.681 nan 8.380 nan 0.000 0.434 763 N N 0.967 119.497 118.700 -0.285 0.000 2.609 763 N HA -0.037 4.703 4.740 -0.000 0.000 0.190 763 N C 0.566 175.832 175.510 -0.408 0.000 1.157 763 N CA 0.463 53.294 53.050 -0.365 0.000 0.918 763 N CB 0.137 38.471 38.487 -0.255 0.000 0.978 763 N HN 0.475 nan 8.380 nan 0.000 0.448 764 Q N -1.610 118.000 119.800 -0.316 0.000 2.164 764 Q HA 0.237 4.577 4.340 -0.000 0.000 0.226 764 Q C -0.446 175.460 176.000 -0.156 0.000 0.813 764 Q CA -0.061 55.650 55.803 -0.154 0.000 0.978 764 Q CB 0.906 29.637 28.738 -0.010 0.000 1.149 764 Q HN -0.027 nan 8.270 nan 0.000 0.489 765 S N 0.529 116.033 115.700 -0.327 0.000 2.532 765 S HA 0.350 4.820 4.470 -0.000 0.000 0.318 765 S C -1.530 172.971 174.600 -0.166 0.000 1.083 765 S CA -0.614 57.506 58.200 -0.133 0.000 1.131 765 S CB 0.113 63.235 63.200 -0.129 0.000 0.973 765 S HN 0.195 nan 8.310 nan 0.000 0.468 766 W N 3.776 125.121 121.300 0.076 0.000 2.390 766 W HA 0.488 5.148 4.660 -0.000 0.000 0.312 766 W C 0.241 176.739 176.519 -0.036 0.000 1.123 766 W CA -0.890 56.450 57.345 -0.008 0.000 1.202 766 W CB 0.775 30.202 29.460 -0.055 0.000 1.251 766 W HN 0.416 nan 8.180 nan 0.000 0.511 767 K N 2.585 122.930 120.400 -0.091 0.000 2.276 767 K HA 0.406 4.726 4.320 -0.000 0.000 0.283 767 K C -1.171 175.332 176.600 -0.162 0.000 1.044 767 K CA -0.243 55.771 56.287 -0.455 0.000 0.944 767 K CB 0.430 32.378 32.500 -0.919 0.000 1.012 767 K HN 0.441 nan 8.250 nan 0.000 0.472 768 L N 4.709 125.942 121.223 0.016 0.000 2.262 768 L HA 0.360 4.700 4.340 -0.000 0.000 0.288 768 L C -0.235 176.821 176.870 0.310 0.000 1.035 768 L CA 0.106 55.051 54.840 0.176 0.000 0.820 768 L CB 1.088 43.195 42.059 0.080 0.000 1.204 768 L HN 0.550 nan 8.230 nan 0.000 0.424 769 K N 3.763 124.393 120.400 0.384 0.000 2.347 769 K HA 0.212 4.531 4.320 -0.000 0.000 0.262 769 K C -1.225 175.584 176.600 0.348 0.000 1.052 769 K CA -0.728 55.770 56.287 0.352 0.000 0.946 769 K CB 0.563 33.268 32.500 0.342 0.000 1.220 769 K HN 0.383 nan 8.250 nan 0.000 0.450 770 Y N 3.915 124.294 120.300 0.131 0.000 2.377 770 Y HA 0.119 4.669 4.550 -0.000 0.000 0.330 770 Y C -0.255 175.602 175.900 -0.071 0.000 1.108 770 Y CA -0.194 57.796 58.100 -0.183 0.000 1.308 770 Y CB 0.635 38.961 38.460 -0.224 0.000 1.216 770 Y HN 0.536 nan 8.280 nan 0.000 0.518 771 N N 4.924 123.244 118.700 -0.633 0.000 2.469 771 N HA 0.047 4.787 4.740 -0.000 0.000 0.253 771 N C 0.121 175.084 175.510 -0.913 0.000 0.970 771 N CA -0.137 52.603 53.050 -0.516 0.000 0.940 771 N CB 1.098 39.453 38.487 -0.220 0.000 1.128 771 N HN 0.931 nan 8.380 nan 0.000 0.503 772 D N 2.967 122.989 120.400 -0.631 0.000 2.178 772 D HA -0.072 4.567 4.640 -0.000 0.000 0.201 772 D C 1.090 177.213 176.300 -0.296 0.000 0.980 772 D CA 1.241 54.979 54.000 -0.437 0.000 0.842 772 D CB 0.385 41.117 40.800 -0.112 0.000 0.948 772 D HN 0.462 nan 8.370 nan 0.000 0.472 773 N N -0.106 118.434 118.700 -0.266 0.000 2.244 773 N HA -0.072 4.668 4.740 -0.000 0.000 0.183 773 N C 1.228 176.594 175.510 -0.239 0.000 1.016 773 N CA 0.833 53.759 53.050 -0.207 0.000 0.866 773 N CB 0.063 38.439 38.487 -0.184 0.000 0.980 773 N HN 0.312 nan 8.380 nan 0.000 0.430 774 K N 0.229 120.411 120.400 -0.363 0.000 2.367 774 K HA 0.156 4.476 4.320 -0.000 0.000 0.194 774 K C -0.222 176.189 176.600 -0.315 0.000 1.027 774 K CA -0.076 55.981 56.287 -0.383 0.000 1.075 774 K CB 0.318 32.435 32.500 -0.639 0.000 0.845 774 K HN 0.099 nan 8.250 nan 0.000 0.529 775 N N 0.166 118.665 118.700 -0.334 0.000 2.714 775 N HA -0.240 4.500 4.740 -0.000 0.000 0.250 775 N C -0.877 174.547 175.510 -0.142 0.000 1.117 775 N CA 0.592 53.553 53.050 -0.149 0.000 0.719 775 N CB -0.700 37.832 38.487 0.075 0.000 1.081 775 N HN 0.338 nan 8.380 nan 0.000 0.557 776 A N -0.771 121.787 122.820 -0.436 0.000 2.532 776 A HA 0.797 5.117 4.320 -0.000 0.000 0.290 776 A C -1.325 176.141 177.584 -0.197 0.000 1.143 776 A CA -0.598 51.242 52.037 -0.328 0.000 0.728 776 A CB 1.121 19.713 19.000 -0.679 0.000 1.317 776 A HN 0.172 nan 8.150 nan 0.000 0.414 777 Y N 0.298 120.716 120.300 0.197 0.000 2.409 777 Y HA 0.505 5.055 4.550 -0.000 0.000 0.339 777 Y C 0.502 176.519 175.900 0.195 0.000 1.033 777 Y CA -0.383 57.865 58.100 0.246 0.000 1.094 777 Y CB 1.790 40.367 38.460 0.194 0.000 1.210 777 Y HN 0.666 nan 8.280 nan 0.000 0.456 778 Q N 2.859 122.791 119.800 0.221 0.000 2.261 778 Q HA 0.510 4.850 4.340 -0.000 0.000 0.252 778 Q C -1.052 175.168 176.000 0.366 0.000 0.915 778 Q CA -0.298 55.636 55.803 0.219 0.000 0.915 778 Q CB 1.404 30.238 28.738 0.160 0.000 1.204 778 Q HN 0.554 nan 8.270 nan 0.000 0.421 779 I N 3.654 124.418 120.570 0.323 0.000 2.390 779 I HA 0.301 4.471 4.170 -0.000 0.000 0.283 779 I C -0.720 175.554 176.117 0.262 0.000 1.016 779 I CA -0.632 60.753 61.300 0.142 0.000 1.151 779 I CB 0.543 38.410 38.000 -0.222 0.000 1.293 779 I HN 0.725 nan 8.210 nan 0.000 0.458 780 H N 5.148 124.307 119.070 0.148 0.000 2.980 780 H HA 0.746 5.302 4.556 -0.000 0.000 0.367 780 H C -1.537 173.747 175.328 -0.073 0.000 1.206 780 H CA -0.975 55.009 56.048 -0.107 0.000 1.126 780 H CB 1.792 30.965 29.762 -0.982 0.000 1.838 780 H HN 0.363 nan 8.280 nan 0.000 0.552 781 I N 4.048 124.520 120.570 -0.164 0.000 2.439 781 I HA 0.192 4.361 4.170 -0.000 0.000 0.283 781 I C 0.068 176.130 176.117 -0.092 0.000 1.023 781 I CA -0.618 60.530 61.300 -0.253 0.000 1.100 781 I CB 0.966 38.654 38.000 -0.520 0.000 1.238 781 I HN 0.744 nan 8.210 nan 0.000 0.445 782 L N 3.827 125.061 121.223 0.019 0.000 5.891 782 L HA -0.345 3.995 4.340 -0.000 0.000 0.053 782 L C 0.826 177.720 176.870 0.040 0.000 2.528 782 L CA 1.669 56.545 54.840 0.060 0.000 1.612 782 L CB -0.768 41.291 42.059 -0.000 0.000 2.817 782 L HN 0.812 nan 8.230 nan 0.000 0.990 783 D N -0.063 120.352 120.400 0.026 0.000 2.395 783 D HA 0.099 4.739 4.640 -0.000 0.000 0.226 783 D C -0.105 176.294 176.300 0.165 0.000 1.146 783 D CA 0.044 54.108 54.000 0.105 0.000 0.830 783 D CB -0.606 40.276 40.800 0.137 0.000 0.958 783 D HN 0.359 nan 8.370 nan 0.000 0.501 784 N N 0.872 119.577 118.700 0.009 0.000 2.444 784 N HA 0.253 4.993 4.740 -0.000 0.000 0.262 784 N C -1.079 174.492 175.510 0.101 0.000 0.974 784 N CA -0.377 52.741 53.050 0.113 0.000 0.933 784 N CB 1.122 39.636 38.487 0.045 0.000 1.137 784 N HN 0.014 nan 8.380 nan 0.000 0.498 785 F N 1.134 121.218 119.950 0.223 0.000 2.469 785 F HA 0.299 4.826 4.527 -0.000 0.000 0.332 785 F C 0.513 176.522 175.800 0.348 0.000 1.103 785 F CA -1.115 57.070 58.000 0.308 0.000 0.979 785 F CB 1.260 40.402 39.000 0.237 0.000 1.137 785 F HN 0.169 nan 8.300 nan 0.000 0.463 786 L N 4.314 125.805 121.223 0.446 0.000 2.584 786 L HA -0.027 4.313 4.340 -0.000 0.000 0.272 786 L C -1.109 176.169 176.870 0.679 0.000 1.195 786 L CA 0.510 55.503 54.840 0.255 0.000 0.920 786 L CB -0.879 40.974 42.059 -0.342 0.000 1.173 786 L HN 0.502 nan 8.230 nan 0.000 0.489 787 Y N 4.930 125.513 120.300 0.471 0.000 2.386 787 Y HA 0.332 4.882 4.550 -0.000 0.000 0.334 787 Y C -0.620 175.542 175.900 0.436 0.000 1.002 787 Y CA -1.180 57.182 58.100 0.437 0.000 1.068 787 Y CB 1.276 39.878 38.460 0.237 0.000 1.203 787 Y HN 0.488 nan 8.280 nan 0.000 0.443 788 F N 5.527 125.403 119.950 -0.125 0.000 2.495 788 F HA 0.238 4.765 4.527 -0.000 0.000 0.365 788 F C 0.440 176.174 175.800 -0.110 0.000 1.090 788 F CA 0.291 58.235 58.000 -0.094 0.000 1.235 788 F CB 0.952 39.743 39.000 -0.348 0.000 1.119 788 F HN 0.588 nan 8.300 nan 0.000 0.562 789 Q N 4.683 124.107 119.800 -0.626 0.000 2.118 789 Q HA 0.314 4.654 4.340 -0.000 0.000 0.219 789 Q C 0.232 175.774 176.000 -0.763 0.000 0.794 789 Q CA 0.324 55.821 55.803 -0.509 0.000 1.035 789 Q CB 0.824 29.454 28.738 -0.180 0.000 1.177 789 Q HN 0.994 nan 8.270 nan 0.000 0.478 790 G N -0.022 107.809 108.800 -1.614 0.000 2.576 790 G HA2 0.012 3.972 3.960 -0.000 0.000 0.686 790 G HA3 0.012 3.972 3.960 -0.000 0.000 0.686 790 G C -0.123 174.346 174.900 -0.717 0.000 1.242 790 G CA -0.689 43.783 45.100 -1.045 0.000 0.819 790 G HN 0.231 nan 8.290 nan 0.000 0.655 791 G N -0.846 107.537 108.800 -0.696 0.000 2.491 791 G HA2 0.523 4.482 3.960 -0.000 0.000 0.238 791 G HA3 0.523 4.482 3.960 -0.000 0.000 0.238 791 G C 0.752 175.550 174.900 -0.171 0.000 1.277 791 G CA 1.329 45.919 45.100 -0.849 0.000 0.851 791 G HN 2.087 nan 8.290 nan 0.000 0.573 792 H N -0.109 118.943 119.070 -0.029 0.000 3.882 792 H HA -0.174 4.382 4.556 -0.000 0.000 0.165 792 H C -0.054 175.276 175.328 0.004 0.000 0.896 792 H CA 1.203 57.320 56.048 0.115 0.000 1.243 792 H CB -0.752 29.080 29.762 0.118 0.000 0.958 792 H HN 0.541 nan 8.280 nan 0.000 0.400 793 N N 0.774 119.438 118.700 -0.060 0.000 2.417 793 N HA 0.348 5.088 4.740 -0.000 0.000 0.300 793 N C 0.158 175.601 175.510 -0.112 0.000 1.102 793 N CA -0.441 52.529 53.050 -0.134 0.000 0.886 793 N CB 1.147 39.534 38.487 -0.167 0.000 1.203 793 N HN 0.177 nan 8.380 nan 0.000 0.496 794 I N 0.888 121.377 120.570 -0.136 0.000 2.775 794 I HA -0.095 4.075 4.170 -0.000 0.000 0.290 794 I C 0.253 176.360 176.117 -0.017 0.000 1.203 794 I CA 0.023 61.270 61.300 -0.089 0.000 1.433 794 I CB 0.276 38.213 38.000 -0.106 0.000 1.354 794 I HN 0.041 nan 8.210 nan 0.000 0.579 795 V N 7.239 127.174 119.914 0.034 0.000 2.508 795 V HA 0.258 4.378 4.120 -0.000 0.000 0.281 795 V C 0.816 176.973 176.094 0.106 0.000 1.041 795 V CA -0.367 61.995 62.300 0.102 0.000 1.016 795 V CB 0.742 32.619 31.823 0.089 0.000 0.984 795 V HN 0.873 nan 8.190 nan 0.000 0.478 796 A N 4.361 127.285 122.820 0.173 0.000 2.287 796 A HA 0.731 5.051 4.320 -0.000 0.000 0.273 796 A C 0.506 178.226 177.584 0.226 0.000 1.091 796 A CA -0.177 51.963 52.037 0.171 0.000 0.817 796 A CB 0.601 19.704 19.000 0.172 0.000 1.069 796 A HN 0.946 nan 8.150 nan 0.000 0.492 797 T N -0.109 114.554 114.554 0.183 0.000 2.791 797 T HA 0.632 4.982 4.350 -0.000 0.000 0.288 797 T C -0.378 174.413 174.700 0.150 0.000 0.999 797 T CA -0.599 61.637 62.100 0.226 0.000 0.952 797 T CB 0.476 69.475 68.868 0.217 0.000 0.938 797 T HN 0.432 nan 8.240 nan 0.000 0.444 798 M N 3.111 122.809 119.600 0.163 0.000 2.364 798 M HA 0.463 4.943 4.480 -0.000 0.000 0.334 798 M C 0.262 176.619 176.300 0.095 0.000 1.107 798 M CA -0.577 54.712 55.300 -0.018 0.000 0.988 798 M CB 2.346 34.690 32.600 -0.428 0.000 1.673 798 M HN 0.657 nan 8.290 nan 0.000 0.441 799 R N 1.744 122.263 120.500 0.031 0.000 2.543 799 R HA 0.353 4.693 4.340 -0.000 0.000 0.268 799 R C 0.292 176.577 176.300 -0.024 0.000 1.067 799 R CA -0.490 55.653 56.100 0.073 0.000 1.142 799 R CB 0.490 30.811 30.300 0.035 0.000 1.110 799 R HN 0.695 nan 8.270 nan 0.000 0.549 800 N N -0.954 117.742 118.700 -0.008 0.000 2.818 800 N HA -0.145 4.595 4.740 -0.000 0.000 0.250 800 N C -0.411 175.001 175.510 -0.163 0.000 1.108 800 N CA 1.054 54.060 53.050 -0.072 0.000 0.745 800 N CB -1.567 36.880 38.487 -0.066 0.000 1.104 800 N HN 0.441 nan 8.380 nan 0.000 0.557 801 V N -0.347 119.383 119.914 -0.306 0.000 2.614 801 V HA 0.582 4.702 4.120 -0.000 0.000 0.291 801 V C 1.262 177.170 176.094 -0.309 0.000 1.049 801 V CA 0.143 62.221 62.300 -0.370 0.000 1.038 801 V CB 1.256 32.750 31.823 -0.547 0.000 0.980 801 V HN 0.337 nan 8.190 nan 0.000 0.481 802 T N 2.185 116.644 114.554 -0.159 0.000 2.868 802 T HA 0.229 4.579 4.350 -0.000 0.000 0.292 802 T C 0.941 175.597 174.700 -0.074 0.000 1.028 802 T CA -0.186 61.855 62.100 -0.098 0.000 1.059 802 T CB 0.689 69.533 68.868 -0.041 0.000 0.991 802 T HN 0.735 nan 8.240 nan 0.000 0.531 803 N N 0.657 119.340 118.700 -0.028 0.000 2.453 803 N HA -0.083 4.657 4.740 -0.000 0.000 0.183 803 N C 0.531 176.129 175.510 0.147 0.000 1.041 803 N CA 0.828 53.909 53.050 0.051 0.000 0.900 803 N CB -0.067 38.443 38.487 0.038 0.000 0.961 803 N HN 0.619 nan 8.380 nan 0.000 0.443 804 D N 0.099 120.542 120.400 0.072 0.000 2.363 804 D HA -0.006 4.634 4.640 -0.000 0.000 0.214 804 D C -0.265 176.083 176.300 0.079 0.000 1.093 804 D CA 0.073 54.096 54.000 0.039 0.000 0.837 804 D CB 0.013 40.810 40.800 -0.006 0.000 0.948 804 D HN 0.032 nan 8.370 nan 0.000 0.507 805 D N 1.262 121.738 120.400 0.128 0.000 2.383 805 D HA 0.025 4.665 4.640 -0.000 0.000 0.245 805 D C 1.542 177.936 176.300 0.156 0.000 1.263 805 D CA -0.125 53.941 54.000 0.111 0.000 0.936 805 D CB 0.483 41.342 40.800 0.098 0.000 1.053 805 D HN 0.107 nan 8.370 nan 0.000 0.507 806 L N 3.349 124.651 121.223 0.132 0.000 2.353 806 L HA -0.124 4.216 4.340 -0.000 0.000 0.220 806 L C 2.377 179.210 176.870 -0.061 0.000 1.133 806 L CA 0.625 55.529 54.840 0.106 0.000 0.798 806 L CB -0.166 41.951 42.059 0.097 0.000 0.922 806 L HN 0.282 nan 8.230 nan 0.000 0.445 807 R N -0.034 120.335 120.500 -0.220 0.000 2.152 807 R HA -0.108 4.232 4.340 -0.000 0.000 0.232 807 R C 2.281 178.215 176.300 -0.610 0.000 1.117 807 R CA 1.541 57.303 56.100 -0.563 0.000 0.981 807 R CB -0.270 29.395 30.300 -1.059 0.000 0.870 807 R HN 0.445 nan 8.270 nan 0.000 0.451 808 S N -1.092 114.423 115.700 -0.308 0.000 2.575 808 S HA 0.070 4.540 4.470 -0.000 0.000 0.215 808 S C 0.067 174.535 174.600 -0.220 0.000 0.966 808 S CA -0.399 57.772 58.200 -0.048 0.000 0.911 808 S CB 0.085 63.301 63.200 0.027 0.000 0.780 808 S HN 0.111 nan 8.310 nan 0.000 0.514 809 Y N 0.458 120.526 120.300 -0.388 0.000 2.387 809 Y HA 0.598 5.148 4.550 -0.000 0.000 0.336 809 Y C -0.666 174.777 175.900 -0.761 0.000 1.067 809 Y CA -1.080 56.801 58.100 -0.365 0.000 1.114 809 Y CB 1.016 39.268 38.460 -0.346 0.000 1.208 809 Y HN 0.214 nan 8.280 nan 0.000 0.458 810 W N 2.399 123.695 121.300 -0.008 0.000 2.839 810 W HA 0.496 5.156 4.660 -0.000 0.000 0.334 810 W C -1.600 174.893 176.519 -0.043 0.000 1.064 810 W CA -1.109 56.218 57.345 -0.030 0.000 1.236 810 W CB 0.758 30.228 29.460 0.017 0.000 1.405 810 W HN 0.332 nan 8.180 nan 0.000 0.478 811 Y N 1.526 122.006 120.300 0.301 0.000 2.309 811 Y HA 0.482 5.032 4.550 -0.000 0.000 0.327 811 Y C 0.350 176.465 175.900 0.358 0.000 1.172 811 Y CA -0.845 57.419 58.100 0.274 0.000 1.280 811 Y CB 0.707 39.245 38.460 0.130 0.000 1.234 811 Y HN 0.013 nan 8.280 nan 0.000 0.512 812 V N 3.954 124.183 119.914 0.525 0.000 2.326 812 V HA 0.308 4.428 4.120 -0.000 0.000 0.281 812 V C -0.651 175.773 176.094 0.549 0.000 1.015 812 V CA -0.928 61.602 62.300 0.384 0.000 0.823 812 V CB 0.924 32.687 31.823 -0.099 0.000 1.009 812 V HN 0.741 nan 8.190 nan 0.000 0.436 813 E N 3.808 124.356 120.200 0.579 0.000 2.185 813 E HA 0.343 4.693 4.350 -0.000 0.000 0.261 813 E C -1.385 175.461 176.600 0.410 0.000 0.879 813 E CA -0.821 55.873 56.400 0.490 0.000 0.756 813 E CB 2.330 32.260 29.700 0.384 0.000 1.152 813 E HN 0.622 nan 8.360 nan 0.000 0.416 814 Y N 2.956 123.314 120.300 0.097 0.000 2.377 814 Y HA 0.114 4.664 4.550 -0.000 0.000 0.330 814 Y C -0.259 175.440 175.900 -0.334 0.000 1.108 814 Y CA -0.248 57.575 58.100 -0.462 0.000 1.308 814 Y CB 0.522 38.555 38.460 -0.712 0.000 1.216 814 Y HN 0.465 nan 8.280 nan 0.000 0.518 815 N N 4.847 122.984 118.700 -0.937 0.000 2.444 815 N HA 0.201 4.941 4.740 -0.000 0.000 0.262 815 N C -0.053 174.830 175.510 -1.045 0.000 0.974 815 N CA -0.318 52.331 53.050 -0.668 0.000 0.933 815 N CB 0.370 38.666 38.487 -0.319 0.000 1.137 815 N HN 0.595 nan 8.380 nan 0.000 0.498 816 F N 2.048 121.580 119.950 -0.696 0.000 2.146 816 F HA -0.053 4.474 4.527 -0.000 0.000 0.298 816 F C 2.176 177.832 175.800 -0.240 0.000 1.096 816 F CA 0.901 58.606 58.000 -0.490 0.000 1.275 816 F CB -0.209 38.471 39.000 -0.532 0.000 1.008 816 F HN 0.598 nan 8.300 nan 0.000 0.480 817 N N 0.313 119.027 118.700 0.024 0.000 2.135 817 N HA -0.144 4.596 4.740 -0.000 0.000 0.186 817 N C 1.522 177.014 175.510 -0.030 0.000 1.027 817 N CA 1.254 54.330 53.050 0.043 0.000 0.849 817 N CB 0.013 38.543 38.487 0.071 0.000 1.002 817 N HN -0.165 nan 8.380 nan 0.000 0.425 818 K N 0.333 120.673 120.400 -0.099 0.000 2.426 818 K HA 0.012 4.332 4.320 -0.000 0.000 0.193 818 K C -0.160 176.352 176.600 -0.146 0.000 1.028 818 K CA 0.283 56.511 56.287 -0.097 0.000 1.047 818 K CB -0.454 31.997 32.500 -0.082 0.000 0.821 818 K HN 0.286 nan 8.250 nan 0.000 0.513 819 D N 0.219 120.455 120.400 -0.273 0.000 2.760 819 D HA -0.132 4.508 4.640 -0.000 0.000 0.244 819 D C -0.244 175.936 176.300 -0.200 0.000 1.123 819 D CA 1.310 55.158 54.000 -0.254 0.000 0.719 819 D CB -1.120 39.657 40.800 -0.038 0.000 1.045 819 D HN 0.392 nan 8.370 nan 0.000 0.426 820 G N -0.488 108.073 108.800 -0.397 0.000 2.559 820 G HA2 0.546 4.506 3.960 -0.000 0.000 0.291 820 G HA3 0.546 4.506 3.960 -0.000 0.000 0.291 820 G C -1.268 173.494 174.900 -0.230 0.000 1.424 820 G CA -0.969 44.049 45.100 -0.137 0.000 0.786 820 G HN 0.061 nan 8.290 nan 0.000 0.485 821 F N 0.001 120.085 119.950 0.223 0.000 2.443 821 F HA 0.631 5.158 4.527 -0.000 0.000 0.335 821 F C 0.686 176.692 175.800 0.343 0.000 1.104 821 F CA -0.570 57.627 58.000 0.328 0.000 1.013 821 F CB 1.921 41.236 39.000 0.525 0.000 1.136 821 F HN 0.135 nan 8.300 nan 0.000 0.470 822 I N 4.015 124.870 120.570 0.475 0.000 2.440 822 I HA 0.317 4.487 4.170 -0.000 0.000 0.294 822 I C -0.461 175.944 176.117 0.480 0.000 0.995 822 I CA -0.418 61.150 61.300 0.447 0.000 1.306 822 I CB 1.296 39.488 38.000 0.320 0.000 1.407 822 I HN 0.394 nan 8.210 nan 0.000 0.501 823 I N 6.333 127.161 120.570 0.431 0.000 2.405 823 I HA 0.378 4.548 4.170 -0.000 0.000 0.280 823 I C -0.110 176.277 176.117 0.450 0.000 1.027 823 I CA -0.445 61.054 61.300 0.331 0.000 1.161 823 I CB 0.903 38.895 38.000 -0.013 0.000 1.300 823 I HN 0.527 nan 8.210 nan 0.000 0.463 824 R N 5.976 126.788 120.500 0.519 0.000 2.460 824 R HA 0.342 4.682 4.340 -0.000 0.000 0.303 824 R C -0.304 176.261 176.300 0.441 0.000 0.968 824 R CA -0.589 55.800 56.100 0.482 0.000 0.889 824 R CB 1.308 31.858 30.300 0.417 0.000 1.123 824 R HN 0.637 nan 8.270 nan 0.000 0.455 825 N N 2.132 120.940 118.700 0.179 0.000 2.479 825 N HA -0.024 4.716 4.740 -0.000 0.000 0.257 825 N C 0.274 175.646 175.510 -0.231 0.000 1.232 825 N CA 0.465 53.257 53.050 -0.430 0.000 0.920 825 N CB 1.349 39.332 38.487 -0.839 0.000 1.105 825 N HN 0.727 nan 8.380 nan 0.000 0.444 826 A N 3.591 126.164 122.820 -0.412 0.000 2.095 826 A HA -0.016 4.304 4.320 -0.000 0.000 0.212 826 A C 1.619 179.122 177.584 -0.134 0.000 1.162 826 A CA 0.159 52.084 52.037 -0.186 0.000 0.753 826 A CB -0.346 18.396 19.000 -0.430 0.000 0.840 826 A HN 0.791 nan 8.150 nan 0.000 0.468 827 F N 0.599 120.308 119.950 -0.402 0.000 2.163 827 F HA 0.063 4.590 4.527 -0.000 0.000 0.297 827 F C 0.152 175.806 175.800 -0.243 0.000 1.094 827 F CA 1.389 59.215 58.000 -0.290 0.000 1.290 827 F CB 0.389 39.226 39.000 -0.272 0.000 1.017 827 F HN 0.168 nan 8.300 nan 0.000 0.483 828 D N -0.302 119.895 120.400 -0.339 0.000 2.473 828 D HA 0.135 4.775 4.640 -0.000 0.000 0.253 828 D C 0.541 176.732 176.300 -0.182 0.000 1.233 828 D CA 0.136 54.007 54.000 -0.215 0.000 0.908 828 D CB 1.449 42.308 40.800 0.098 0.000 1.170 828 D HN 0.199 nan 8.370 nan 0.000 0.558 829 T N -0.304 114.179 114.554 -0.117 0.000 3.160 829 T HA 0.001 4.351 4.350 -0.000 0.000 0.257 829 T C 1.401 176.030 174.700 -0.120 0.000 1.147 829 T CA 0.193 62.269 62.100 -0.040 0.000 1.064 829 T CB 0.073 68.955 68.868 0.023 0.000 0.949 829 T HN 0.093 nan 8.240 nan 0.000 0.526 830 S N 0.319 115.832 115.700 -0.312 0.000 2.527 830 S HA 0.199 4.669 4.470 -0.000 0.000 0.222 830 S C -0.430 173.762 174.600 -0.680 0.000 0.985 830 S CA -0.006 57.850 58.200 -0.574 0.000 0.921 830 S CB -0.204 62.460 63.200 -0.892 0.000 0.772 830 S HN 0.663 nan 8.310 nan 0.000 0.529 831 Y N 0.765 121.101 120.300 0.060 0.000 2.393 831 Y HA 0.592 5.142 4.550 -0.000 0.000 0.341 831 Y C -0.037 175.997 175.900 0.224 0.000 0.988 831 Y CA -1.649 56.542 58.100 0.152 0.000 1.078 831 Y CB 1.179 39.811 38.460 0.286 0.000 1.203 831 Y HN -0.106 nan 8.280 nan 0.000 0.453 832 V N 1.007 121.175 119.914 0.423 0.000 2.914 832 V HA 0.601 4.721 4.120 -0.000 0.000 0.314 832 V C -0.515 175.847 176.094 0.447 0.000 1.084 832 V CA -1.486 61.068 62.300 0.422 0.000 0.963 832 V CB 1.807 33.834 31.823 0.339 0.000 1.025 832 V HN 0.705 nan 8.190 nan 0.000 0.432 833 L N 2.930 124.394 121.223 0.401 0.000 2.525 833 L HA 0.310 4.650 4.340 -0.000 0.000 0.278 833 L C 0.028 177.200 176.870 0.504 0.000 1.218 833 L CA 0.854 55.881 54.840 0.311 0.000 0.878 833 L CB 0.115 42.134 42.059 -0.068 0.000 1.127 833 L HN 0.901 nan 8.230 nan 0.000 0.492 834 D N 2.451 123.106 120.400 0.424 0.000 2.890 834 D HA 0.173 4.813 4.640 -0.000 0.000 0.233 834 D C -0.991 175.462 176.300 0.255 0.000 1.306 834 D CA -0.445 53.757 54.000 0.336 0.000 0.929 834 D CB 2.267 43.248 40.800 0.301 0.000 1.512 834 D HN 0.084 nan 8.370 nan 0.000 0.568 835 V N 5.196 125.200 119.914 0.150 0.000 2.446 835 V HA 0.033 4.153 4.120 -0.000 0.000 0.276 835 V C 0.845 176.893 176.094 -0.078 0.000 1.030 835 V CA -0.445 61.831 62.300 -0.039 0.000 1.033 835 V CB -0.409 31.150 31.823 -0.440 0.000 0.993 835 V HN 0.455 nan 8.190 nan 0.000 0.477 836 F N 5.807 125.672 119.950 -0.143 0.000 2.580 836 F HA 0.001 4.528 4.527 -0.000 0.000 0.398 836 F C 1.337 177.042 175.800 -0.157 0.000 1.023 836 F CA 0.305 58.223 58.000 -0.136 0.000 1.188 836 F CB -0.336 38.596 39.000 -0.114 0.000 1.005 836 F HN 0.813 nan 8.300 nan 0.000 0.546 837 Q N 3.385 122.805 119.800 -0.634 0.000 2.393 837 Q HA -0.255 4.085 4.340 -0.000 0.000 0.235 837 Q C 1.111 176.918 176.000 -0.322 0.000 0.823 837 Q CA 0.968 56.403 55.803 -0.613 0.000 1.284 837 Q CB -1.927 26.227 28.738 -0.972 0.000 1.669 837 Q HN 1.496 nan 8.270 nan 0.000 0.597 838 G N 0.973 109.626 108.800 -0.244 0.000 2.283 838 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.280 838 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.280 838 G C -0.244 174.576 174.900 -0.134 0.000 1.029 838 G CA 0.517 45.545 45.100 -0.120 0.000 0.840 838 G HN 0.379 nan 8.290 nan 0.000 0.505 839 N N -0.505 117.995 118.700 -0.332 0.000 2.419 839 N HA 0.523 5.263 4.740 -0.000 0.000 0.264 839 N C 0.386 175.674 175.510 -0.369 0.000 1.031 839 N CA -0.999 51.916 53.050 -0.225 0.000 0.951 839 N CB 0.330 38.686 38.487 -0.218 0.000 1.101 839 N HN 0.025 nan 8.380 nan 0.000 0.488 840 F N 1.307 121.219 119.950 -0.062 0.000 2.639 840 F HA 0.402 4.929 4.527 -0.000 0.000 0.302 840 F C 1.319 177.071 175.800 -0.080 0.000 1.097 840 F CA -0.448 57.517 58.000 -0.060 0.000 1.294 840 F CB 0.049 39.007 39.000 -0.070 0.000 1.027 840 F HN 0.457 nan 8.300 nan 0.000 0.550 841 A N 0.522 123.341 122.820 -0.002 0.000 2.498 841 A HA 0.083 4.403 4.320 -0.000 0.000 0.239 841 A C 0.505 178.023 177.584 -0.110 0.000 1.068 841 A CA -0.406 51.599 52.037 -0.053 0.000 0.766 841 A CB -0.047 18.927 19.000 -0.045 0.000 1.003 841 A HN 0.240 nan 8.150 nan 0.000 0.497 842 N N 2.291 120.852 118.700 -0.231 0.000 2.293 842 N HA -0.058 4.682 4.740 -0.000 0.000 0.253 842 N C 0.519 175.949 175.510 -0.134 0.000 1.248 842 N CA 0.958 53.750 53.050 -0.429 0.000 0.845 842 N CB -0.054 37.893 38.487 -0.900 0.000 1.073 842 N HN 0.675 nan 8.380 nan 0.000 0.464 843 N N -1.042 117.689 118.700 0.053 0.000 2.984 843 N HA -0.156 4.584 4.740 -0.000 0.000 0.227 843 N C -0.895 174.670 175.510 0.092 0.000 0.903 843 N CA 0.738 53.888 53.050 0.165 0.000 0.995 843 N CB -1.365 37.224 38.487 0.168 0.000 1.065 843 N HN 0.487 nan 8.380 nan 0.000 0.585 844 T N 3.404 117.987 114.554 0.048 0.000 2.867 844 T HA 0.193 4.543 4.350 -0.000 0.000 0.297 844 T C -2.069 172.675 174.700 0.073 0.000 0.989 844 T CA -0.334 61.801 62.100 0.058 0.000 1.159 844 T CB 1.229 70.085 68.868 -0.020 0.000 0.928 844 T HN 0.095 nan 8.240 nan 0.000 0.538 845 P HA 0.196 nan 4.420 nan 0.000 0.272 845 P C -0.359 176.977 177.300 0.060 0.000 1.223 845 P CA -0.558 62.562 63.100 0.033 0.000 0.784 845 P CB 0.538 32.194 31.700 -0.072 0.000 0.923 846 I N 3.130 123.730 120.570 0.050 0.000 2.395 846 I HA 0.255 4.425 4.170 -0.000 0.000 0.289 846 I C 1.109 177.259 176.117 0.055 0.000 1.023 846 I CA -0.489 60.855 61.300 0.072 0.000 1.350 846 I CB -0.005 38.004 38.000 0.015 0.000 1.409 846 I HN 0.380 nan 8.210 nan 0.000 0.507 847 I N 2.701 123.334 120.570 0.106 0.000 3.436 847 I HA 0.760 4.930 4.170 -0.000 0.000 0.296 847 I C 0.130 176.377 176.117 0.216 0.000 1.143 847 I CA -0.715 60.646 61.300 0.101 0.000 1.009 847 I CB 2.061 40.101 38.000 0.067 0.000 1.301 847 I HN 0.558 nan 8.210 nan 0.000 0.503 848 T N -0.775 113.939 114.554 0.267 0.000 2.829 848 T HA 0.658 5.008 4.350 -0.000 0.000 0.280 848 T C -1.069 173.915 174.700 0.473 0.000 0.999 848 T CA -0.479 61.872 62.100 0.417 0.000 0.983 848 T CB 1.423 70.638 68.868 0.579 0.000 0.968 848 T HN 0.689 nan 8.240 nan 0.000 0.446 849 Y N 0.428 120.947 120.300 0.366 0.000 2.655 849 Y HA 0.455 5.005 4.550 -0.000 0.000 0.336 849 Y C -0.344 175.730 175.900 0.290 0.000 1.154 849 Y CA -1.079 57.223 58.100 0.338 0.000 1.055 849 Y CB 1.941 40.522 38.460 0.202 0.000 1.295 849 Y HN 0.800 nan 8.280 nan 0.000 0.465 850 Q N 1.606 121.228 119.800 -0.295 0.000 2.421 850 Q HA 0.113 4.453 4.340 -0.000 0.000 0.255 850 Q C -0.789 175.032 176.000 -0.298 0.000 1.013 850 Q CA -0.013 55.593 55.803 -0.328 0.000 0.895 850 Q CB 0.272 28.719 28.738 -0.485 0.000 1.271 850 Q HN 0.457 nan 8.270 nan 0.000 0.460 851 N N 0.653 119.257 118.700 -0.161 0.000 2.458 851 N HA 0.048 4.788 4.740 -0.000 0.000 0.270 851 N C -1.285 174.239 175.510 0.022 0.000 1.102 851 N CA 0.319 53.355 53.050 -0.023 0.000 0.967 851 N CB 0.444 38.973 38.487 0.071 0.000 1.078 851 N HN 0.465 nan 8.380 nan 0.000 0.471 852 Y N 3.395 123.790 120.300 0.158 0.000 2.527 852 Y HA 0.376 4.926 4.550 -0.000 0.000 0.247 852 Y C 0.633 176.584 175.900 0.085 0.000 1.138 852 Y CA -0.453 57.718 58.100 0.120 0.000 1.228 852 Y CB -0.104 38.439 38.460 0.138 0.000 1.252 852 Y HN 0.507 nan 8.280 nan 0.000 0.531 853 L N 0.155 121.505 121.223 0.211 0.000 4.001 853 L HA -0.325 4.015 4.340 -0.000 0.000 0.413 853 L C -0.437 176.497 176.870 0.107 0.000 1.185 853 L CA 0.108 55.023 54.840 0.126 0.000 0.963 853 L CB -1.446 40.666 42.059 0.088 0.000 1.976 853 L HN 0.267 nan 8.230 nan 0.000 0.939 854 N N 0.761 119.551 118.700 0.150 0.000 2.453 854 N HA 0.031 4.771 4.740 -0.000 0.000 0.253 854 N C 1.051 176.579 175.510 0.031 0.000 1.252 854 N CA -0.171 52.943 53.050 0.106 0.000 0.917 854 N CB 0.668 39.251 38.487 0.160 0.000 1.117 854 N HN 0.096 nan 8.380 nan 0.000 0.442 855 D N 0.285 120.685 120.400 0.001 0.000 2.182 855 D HA -0.166 4.474 4.640 -0.000 0.000 0.201 855 D C 1.221 177.464 176.300 -0.095 0.000 0.986 855 D CA 1.065 55.028 54.000 -0.061 0.000 0.847 855 D CB -0.134 40.626 40.800 -0.067 0.000 0.942 855 D HN 0.628 nan 8.370 nan 0.000 0.467 856 N N 0.508 119.218 118.700 0.016 0.000 2.515 856 N HA -0.126 4.614 4.740 -0.000 0.000 0.191 856 N C 0.752 176.186 175.510 -0.127 0.000 1.182 856 N CA 0.339 53.420 53.050 0.052 0.000 0.879 856 N CB 0.011 38.580 38.487 0.137 0.000 0.984 856 N HN 0.297 nan 8.380 nan 0.000 0.453 857 Q N -0.047 119.676 119.800 -0.128 0.000 2.171 857 Q HA 0.382 4.722 4.340 -0.000 0.000 0.218 857 Q C -0.416 175.471 176.000 -0.189 0.000 0.822 857 Q CA -0.100 55.681 55.803 -0.036 0.000 0.987 857 Q CB 1.134 29.954 28.738 0.138 0.000 1.144 857 Q HN 0.270 nan 8.270 nan 0.000 0.494 858 L N 0.281 121.211 121.223 -0.488 0.000 2.346 858 L HA 0.565 4.905 4.340 -0.000 0.000 0.274 858 L C -1.290 175.224 176.870 -0.592 0.000 1.007 858 L CA -0.709 53.938 54.840 -0.323 0.000 0.818 858 L CB 1.275 43.254 42.059 -0.133 0.000 1.284 858 L HN 0.024 nan 8.230 nan 0.000 0.424 859 W N 1.168 122.520 121.300 0.086 0.000 3.032 859 W HA 0.479 5.139 4.660 -0.000 0.000 0.335 859 W C -0.542 176.003 176.519 0.045 0.000 1.154 859 W CA -0.586 56.736 57.345 -0.038 0.000 1.204 859 W CB 1.333 30.641 29.460 -0.253 0.000 1.416 859 W HN 0.286 nan 8.180 nan 0.000 0.521 860 N N 1.319 120.115 118.700 0.159 0.000 2.430 860 N HA 0.536 5.276 4.740 -0.000 0.000 0.298 860 N C -1.619 173.757 175.510 -0.223 0.000 1.130 860 N CA -0.656 52.488 53.050 0.157 0.000 0.894 860 N CB 1.658 40.262 38.487 0.196 0.000 1.209 860 N HN 0.178 nan 8.380 nan 0.000 0.503 861 F N 1.089 121.008 119.950 -0.052 0.000 2.382 861 F HA 0.483 5.010 4.527 -0.000 0.000 0.361 861 F C 0.211 176.093 175.800 0.137 0.000 1.109 861 F CA -0.668 57.207 58.000 -0.209 0.000 1.031 861 F CB 0.877 39.316 39.000 -0.936 0.000 1.234 861 F HN 0.154 nan 8.300 nan 0.000 0.445 862 I N 5.562 126.384 120.570 0.420 0.000 2.307 862 I HA 0.308 4.478 4.170 -0.000 0.000 0.289 862 I C -2.277 174.153 176.117 0.522 0.000 1.021 862 I CA -2.292 59.271 61.300 0.438 0.000 1.224 862 I CB 1.058 39.260 38.000 0.337 0.000 1.376 862 I HN 0.247 nan 8.210 nan 0.000 0.470 863 P HA -0.092 nan 4.420 nan 0.000 0.259 863 P C -0.344 177.012 177.300 0.094 0.000 1.155 863 P CA 0.583 63.752 63.100 0.116 0.000 0.759 863 P CB 0.403 32.188 31.700 0.142 0.000 0.753 864 S N 3.133 118.827 115.700 -0.009 0.000 2.900 864 S HA 0.707 5.177 4.470 -0.000 0.000 0.320 864 S C -0.738 173.843 174.600 -0.032 0.000 1.130 864 S CA -0.881 57.337 58.200 0.030 0.000 0.863 864 S CB 0.748 63.989 63.200 0.068 0.000 1.295 864 S HN 0.174 nan 8.310 nan 0.000 0.596 865 L N 0.450 121.616 121.223 -0.094 0.000 2.334 865 L HA 0.778 5.118 4.340 -0.000 0.000 0.273 865 L C 0.563 177.141 176.870 -0.488 0.000 1.013 865 L CA -0.446 54.272 54.840 -0.204 0.000 0.816 865 L CB 1.944 43.917 42.059 -0.144 0.000 1.278 865 L HN 1.009 nan 8.230 nan 0.000 0.431 866 G N 0.000 108.322 108.800 -0.796 0.000 5.446 866 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 866 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 866 G CA 0.000 44.284 45.100 -1.359 0.000 0.502 866 G HN 0.000 nan 8.290 nan 0.000 0.925