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 2wp8_1_J DATA FIRST_RESID 36 DATA SEQUENCE VREHYLRSDI PCLSRSCTKC PQIVVPDAQN ELPKFILSDS PLELSAPIGK DATA SEQUENCE HYVVLDTNVV LQAIDLLENP NCFFDVIVPQ IVLDEVRNKS YPVYTRLRTL DATA SEQUENCE CRDSDDHKRF IVFHNEFSEH TFVEXXXXXX XNDRNDRAIR KTCQWYSEHL DATA SEQUENCE KPYDINVVLV TNDXXXXXXX XXXXESNIIT KSLVQYIELL PNADDIRDSX DATA SEQUENCE XXXXXXXXXX XXXXXXXFTF PEYYSTARVM GGLKNGVLYQ GNIQISEYNF DATA SEQUENCE LEGSVSLPRF SKPVLIVGQK NLNRAFNGDQ VIVELLPQSE WKAPSSIVLD DATA SEQUENCE SEHFDVNDNP DIEXXXXXXX XXXXXNTTVI SDKQRRLLAK DAMIAQRSKK DATA SEQUENCE IQPTAKVVYI QRRSWRQYVG QLAPSSVDPQ SSSTQNVFVI LMDKCLPKVR DATA SEQUENCE IRTRRAAELL DKRIVISIDS WPTTHKYPLG HFVRDLGTIE SAQAETEALL DATA SEQUENCE LEHDVEYRPF SKKVLECLPA EGHDWKAPTK LDDPEAVSKD PLLTKRKDLR DATA SEQUENCE DKLICSIDPP GCVDINDALH AKKLPNGNWE VGVHIADVTH FVKPGTALDA DATA SEQUENCE EGAARGTSVY LVDKRIDMLP MLLGTDLCSL KPYVDRFAFS VIWELDDSAN DATA SEQUENCE IVNVNFMKSV IRSREAFSYE QAQLRIDDKT QNDELTMGMR ALLKLSVKLK DATA SEQUENCE QKRLEAGALN LASPEVKVHM DSETSDPNEV EIKKLLATNS LVEEFMLLAN DATA SEQUENCE ISVARKIYDA FPQTAMLRRH AAPPSTNFEI LNEMLNTRKN MSISLESSKA DATA SEQUENCE LADSLDRCVD PEDPYFNTLV RIMSTRCMMA AQYFYSGAYS YPDFRHYGLA DATA SEQUENCE VDIYTHFTSP IRRYCDVVAH RQLAGAIGYE PLSLTHRDKN KMDMICRNIN DATA SEQUENCE RKHRNAQFAG RASIEYYVGQ VMRNNESTET GYVIKVFNNG IVVLVPKFGV DATA SEQUENCE EGLIRLDNLT EDPNSAAFDE VEYKLTFVPT NSDKPRDVYV FDKVEVQVRS DATA SEQUENCE VMDPITSKRK AELLLK 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 36 V HA 0.000 nan 4.120 nan 0.000 0.244 36 V C 0.000 176.101 176.094 0.012 0.000 1.182 36 V CA 0.000 62.306 62.300 0.010 0.000 1.235 36 V CB 0.000 31.826 31.823 0.005 0.000 1.184 37 R N 3.104 123.618 120.500 0.023 0.000 2.490 37 R HA 0.553 4.893 4.340 -0.001 0.000 0.280 37 R C 0.244 176.560 176.300 0.026 0.000 1.077 37 R CA -0.129 55.987 56.100 0.028 0.000 1.065 37 R CB 0.840 31.164 30.300 0.040 0.000 1.003 37 R HN 0.841 nan 8.270 nan 0.000 0.470 38 E N 1.205 121.415 120.200 0.017 0.000 2.369 38 E HA 0.052 4.402 4.350 -0.001 0.000 0.255 38 E C -0.823 175.776 176.600 -0.002 0.000 1.172 38 E CA -0.046 56.339 56.400 -0.024 0.000 0.932 38 E CB 0.780 30.494 29.700 0.023 0.000 1.040 38 E HN 0.524 nan 8.360 nan 0.000 0.454 39 H N 0.498 119.418 119.070 -0.250 0.000 3.240 39 H HA 0.234 4.789 4.556 -0.001 0.000 0.329 39 H C -1.834 173.275 175.328 -0.365 0.000 1.024 39 H CA -0.386 55.538 56.048 -0.207 0.000 1.487 39 H CB 0.353 29.972 29.762 -0.239 0.000 1.909 39 H HN 0.367 nan 8.280 nan 0.000 0.465 40 Y N 4.090 124.317 120.300 -0.122 0.000 2.446 40 Y HA 0.458 5.007 4.550 -0.001 0.000 0.338 40 Y C -0.472 175.361 175.900 -0.111 0.000 1.055 40 Y CA -0.811 57.209 58.100 -0.132 0.000 1.101 40 Y CB 1.618 39.946 38.460 -0.219 0.000 1.221 40 Y HN 0.393 nan 8.280 nan 0.000 0.460 41 L N 3.722 124.979 121.223 0.057 0.000 2.334 41 L HA 0.702 5.042 4.340 -0.001 0.000 0.273 41 L C -0.326 176.526 176.870 -0.029 0.000 1.013 41 L CA -0.841 54.007 54.840 0.014 0.000 0.816 41 L CB 1.811 43.866 42.059 -0.006 0.000 1.278 41 L HN 0.595 nan 8.230 nan 0.000 0.431 42 R N 0.744 121.198 120.500 -0.076 0.000 2.912 42 R HA 0.727 5.067 4.340 -0.001 0.000 0.262 42 R C -0.016 176.190 176.300 -0.158 0.000 1.057 42 R CA -0.318 55.719 56.100 -0.105 0.000 0.981 42 R CB 1.480 31.706 30.300 -0.122 0.000 1.201 42 R HN 0.748 nan 8.270 nan 0.000 0.484 43 S N -0.113 115.526 115.700 -0.101 0.000 2.780 43 S HA 0.098 4.568 4.470 -0.001 0.000 0.248 43 S C 0.557 175.157 174.600 0.001 0.000 1.036 43 S CA -0.173 57.989 58.200 -0.064 0.000 1.061 43 S CB 0.304 63.517 63.200 0.022 0.000 1.037 43 S HN 0.433 nan 8.310 nan 0.000 0.584 44 D N 1.048 121.431 120.400 -0.027 0.000 2.323 44 D HA 0.155 4.795 4.640 -0.001 0.000 0.209 44 D C 0.230 176.543 176.300 0.022 0.000 0.973 44 D CA 0.312 54.312 54.000 0.001 0.000 0.874 44 D CB 0.276 41.051 40.800 -0.042 0.000 0.930 44 D HN 0.532 nan 8.370 nan 0.000 0.521 45 I N 2.713 123.280 120.570 -0.006 0.000 2.337 45 I HA 0.174 4.343 4.170 -0.001 0.000 0.291 45 I C -2.164 174.036 176.117 0.137 0.000 1.046 45 I CA -1.746 59.552 61.300 -0.003 0.000 1.324 45 I CB 1.077 38.990 38.000 -0.145 0.000 1.409 45 I HN -0.299 nan 8.210 nan 0.000 0.494 46 P HA 0.232 nan 4.420 nan 0.000 0.285 46 P C 0.902 178.361 177.300 0.266 0.000 1.259 46 P CA -0.449 62.750 63.100 0.165 0.000 0.794 46 P CB 0.766 32.367 31.700 -0.165 0.000 0.940 47 C N 3.279 122.798 119.300 0.365 0.000 2.288 47 C HA -0.269 4.191 4.460 -0.001 0.000 0.260 47 C C 1.913 177.108 174.990 0.341 0.000 1.094 47 C CA 2.272 61.517 59.018 0.379 0.000 1.822 47 C CB -2.144 25.980 27.740 0.640 0.000 2.004 47 C HN 0.707 nan 8.230 nan 0.000 0.420 48 L N -2.537 118.726 121.223 0.067 0.000 4.692 48 L HA -0.173 4.167 4.340 -0.001 0.000 0.400 48 L C 1.014 177.964 176.870 0.134 0.000 0.912 48 L CA 0.234 54.999 54.840 -0.126 0.000 1.662 48 L CB -2.141 39.894 42.059 -0.041 0.000 1.814 48 L HN 0.981 nan 8.230 nan 0.000 0.580 49 S N 0.238 116.132 115.700 0.323 0.000 2.528 49 S HA 0.651 5.121 4.470 -0.001 0.000 0.277 49 S C 1.440 176.241 174.600 0.336 0.000 1.297 49 S CA 0.380 58.764 58.200 0.307 0.000 1.052 49 S CB 0.953 64.389 63.200 0.394 0.000 0.917 49 S HN 0.319 nan 8.310 nan 0.000 0.492 50 R N 1.224 121.854 120.500 0.217 0.000 2.293 50 R HA 0.040 4.380 4.340 -0.001 0.000 0.219 50 R C 1.861 178.134 176.300 -0.044 0.000 1.091 50 R CA 2.019 58.190 56.100 0.119 0.000 1.004 50 R CB -1.297 29.050 30.300 0.079 0.000 0.865 50 R HN 1.255 nan 8.270 nan 0.000 0.469 51 S N -2.116 113.511 115.700 -0.121 0.000 2.575 51 S HA 0.193 4.663 4.470 -0.001 0.000 0.237 51 S C 0.455 174.570 174.600 -0.807 0.000 0.975 51 S CA -0.314 57.613 58.200 -0.455 0.000 0.960 51 S CB -1.144 61.731 63.200 -0.540 0.000 0.822 51 S HN 0.469 nan 8.310 nan 0.000 0.472 52 C N 1.796 120.923 119.300 -0.288 0.000 2.648 52 C HA 0.497 4.956 4.460 -0.001 0.000 0.419 52 C C 1.712 176.630 174.990 -0.120 0.000 1.352 52 C CA 0.358 59.332 59.018 -0.074 0.000 1.816 52 C CB 0.347 28.318 27.740 0.385 0.000 2.598 52 C HN 0.707 nan 8.230 nan 0.000 0.598 53 T N 1.946 116.506 114.554 0.009 0.000 3.004 53 T HA 0.151 4.500 4.350 -0.001 0.000 0.266 53 T C 1.544 176.290 174.700 0.077 0.000 0.986 53 T CA 0.429 62.537 62.100 0.013 0.000 0.902 53 T CB -0.048 68.858 68.868 0.064 0.000 1.118 53 T HN 0.747 nan 8.240 nan 0.000 0.522 54 K N -0.085 120.404 120.400 0.148 0.000 2.214 54 K HA 0.167 4.487 4.320 -0.001 0.000 0.201 54 K C 2.233 178.977 176.600 0.240 0.000 1.049 54 K CA 0.813 57.208 56.287 0.179 0.000 0.978 54 K CB -0.024 32.598 32.500 0.203 0.000 0.842 54 K HN 0.271 nan 8.250 nan 0.000 0.474 55 C N 1.570 121.080 119.300 0.351 0.000 2.413 55 C HA -0.040 4.420 4.460 -0.001 0.000 0.277 55 C C -0.846 174.381 174.990 0.396 0.000 1.265 55 C CA 0.355 59.642 59.018 0.447 0.000 1.752 55 C CB -1.305 26.823 27.740 0.646 0.000 1.998 55 C HN 0.317 nan 8.230 nan 0.000 0.489 56 P HA -0.080 nan 4.420 nan 0.000 0.236 56 P C 0.816 178.186 177.300 0.117 0.000 1.172 56 P CA 1.385 64.556 63.100 0.119 0.000 0.759 56 P CB -0.326 31.309 31.700 -0.108 0.000 0.843 57 Q N -2.531 117.353 119.800 0.139 0.000 2.185 57 Q HA 0.189 4.529 4.340 -0.001 0.000 0.234 57 Q C 2.054 178.132 176.000 0.130 0.000 0.819 57 Q CA -0.004 55.867 55.803 0.113 0.000 0.961 57 Q CB -0.242 28.552 28.738 0.093 0.000 1.140 57 Q HN 0.214 nan 8.270 nan 0.000 0.492 58 I N -0.080 120.594 120.570 0.172 0.000 2.546 58 I HA 0.032 4.201 4.170 -0.001 0.000 0.255 58 I C 1.210 177.405 176.117 0.130 0.000 1.163 58 I CA 0.743 62.141 61.300 0.163 0.000 1.457 58 I CB -0.239 37.888 38.000 0.212 0.000 1.092 58 I HN -0.015 nan 8.210 nan 0.000 0.434 59 V N 2.057 122.062 119.914 0.152 0.000 2.649 59 V HA 0.460 4.580 4.120 -0.001 0.000 0.292 59 V C 0.258 176.405 176.094 0.089 0.000 1.055 59 V CA 0.006 62.389 62.300 0.138 0.000 1.023 59 V CB 1.318 33.273 31.823 0.220 0.000 0.992 59 V HN 0.602 nan 8.190 nan 0.000 0.480 60 V N 4.064 124.014 119.914 0.060 0.000 2.628 60 V HA 0.706 4.826 4.120 -0.001 0.000 0.306 60 V C -2.433 173.680 176.094 0.033 0.000 1.045 60 V CA -2.406 59.915 62.300 0.035 0.000 0.905 60 V CB 1.308 33.135 31.823 0.006 0.000 0.997 60 V HN 0.717 nan 8.190 nan 0.000 0.436 61 P HA 0.186 nan 4.420 nan 0.000 0.268 61 P C -0.656 176.649 177.300 0.009 0.000 1.208 61 P CA 0.181 63.295 63.100 0.024 0.000 0.777 61 P CB 0.381 32.092 31.700 0.018 0.000 0.875 62 D N 0.383 120.789 120.400 0.009 0.000 2.440 62 D HA 0.186 4.825 4.640 -0.001 0.000 0.269 62 D C 1.326 177.620 176.300 -0.010 0.000 1.249 62 D CA -0.341 53.656 54.000 -0.004 0.000 1.055 62 D CB -0.449 40.351 40.800 0.001 0.000 1.104 62 D HN 0.252 nan 8.370 nan 0.000 0.561 63 A N -0.775 122.035 122.820 -0.016 0.000 1.948 63 A HA -0.264 4.055 4.320 -0.001 0.000 0.220 63 A C 1.955 179.532 177.584 -0.010 0.000 1.177 63 A CA 1.844 53.870 52.037 -0.018 0.000 0.636 63 A CB -0.971 18.016 19.000 -0.021 0.000 0.815 63 A HN 0.621 nan 8.150 nan 0.000 0.449 64 Q N -1.343 118.454 119.800 -0.005 0.000 2.322 64 Q HA 0.124 4.463 4.340 -0.001 0.000 0.203 64 Q C 0.139 176.141 176.000 0.004 0.000 0.923 64 Q CA 0.138 55.940 55.803 -0.001 0.000 0.949 64 Q CB 0.144 28.883 28.738 0.002 0.000 1.039 64 Q HN 0.645 nan 8.270 nan 0.000 0.496 65 N N 1.227 119.930 118.700 0.004 0.000 2.780 65 N HA -0.189 4.551 4.740 -0.001 0.000 0.248 65 N C -1.461 174.059 175.510 0.016 0.000 1.102 65 N CA 0.614 53.669 53.050 0.008 0.000 0.697 65 N CB -0.700 37.790 38.487 0.005 0.000 1.028 65 N HN 0.312 nan 8.380 nan 0.000 0.554 66 E N 0.159 120.371 120.200 0.020 0.000 2.165 66 E HA 0.464 4.814 4.350 -0.001 0.000 0.266 66 E C -0.221 176.405 176.600 0.044 0.000 0.889 66 E CA -0.636 55.782 56.400 0.030 0.000 0.756 66 E CB 0.780 30.496 29.700 0.027 0.000 1.131 66 E HN 0.292 nan 8.360 nan 0.000 0.411 67 L N 5.886 127.144 121.223 0.058 0.000 2.485 67 L HA 0.192 4.532 4.340 -0.001 0.000 0.275 67 L C -1.636 175.302 176.870 0.113 0.000 1.207 67 L CA -1.463 53.431 54.840 0.090 0.000 0.855 67 L CB 0.036 42.155 42.059 0.101 0.000 1.114 67 L HN 0.484 nan 8.230 nan 0.000 0.485 68 P HA 0.084 nan 4.420 nan 0.000 0.263 68 P C -0.515 176.911 177.300 0.209 0.000 1.195 68 P CA -0.143 63.027 63.100 0.116 0.000 0.762 68 P CB 0.332 32.067 31.700 0.058 0.000 0.799 69 K N 4.196 124.691 120.400 0.158 0.000 2.379 69 K HA 0.221 4.540 4.320 -0.001 0.000 0.284 69 K C -0.073 176.676 176.600 0.249 0.000 1.044 69 K CA -0.342 56.073 56.287 0.212 0.000 0.974 69 K CB -0.432 32.142 32.500 0.124 0.000 0.962 69 K HN 0.426 nan 8.250 nan 0.000 0.474 70 F N 2.121 122.102 119.950 0.051 0.000 2.443 70 F HA 0.191 4.718 4.527 -0.001 0.000 0.353 70 F C 1.342 177.167 175.800 0.041 0.000 1.101 70 F CA -0.846 57.189 58.000 0.058 0.000 1.226 70 F CB 0.941 39.974 39.000 0.056 0.000 1.140 70 F HN 0.424 nan 8.300 nan 0.000 0.557 71 I N 2.030 122.682 120.570 0.136 0.000 3.132 71 I HA 0.070 4.239 4.170 -0.001 0.000 0.255 71 I C 0.771 176.917 176.117 0.048 0.000 1.118 71 I CA 0.386 61.730 61.300 0.074 0.000 1.463 71 I CB -0.604 37.416 38.000 0.033 0.000 1.356 71 I HN 0.322 nan 8.210 nan 0.000 0.463 72 L N 1.384 122.595 121.223 -0.020 0.000 2.483 72 L HA 0.049 4.389 4.340 -0.001 0.000 0.276 72 L C 1.003 177.923 176.870 0.085 0.000 1.213 72 L CA 0.147 54.923 54.840 -0.106 0.000 0.843 72 L CB 0.138 41.842 42.059 -0.591 0.000 1.107 72 L HN 0.186 nan 8.230 nan 0.000 0.487 73 S N 0.433 116.231 115.700 0.162 0.000 2.603 73 S HA 0.038 4.508 4.470 -0.001 0.000 0.268 73 S C 0.813 175.516 174.600 0.172 0.000 1.317 73 S CA -0.626 57.663 58.200 0.149 0.000 1.012 73 S CB 0.900 64.166 63.200 0.111 0.000 0.926 73 S HN 0.642 nan 8.310 nan 0.000 0.539 74 D N 1.746 122.192 120.400 0.077 0.000 2.097 74 D HA -0.003 4.636 4.640 -0.001 0.000 0.195 74 D C 0.210 176.519 176.300 0.015 0.000 0.989 74 D CA 1.308 55.326 54.000 0.029 0.000 0.827 74 D CB -0.176 40.624 40.800 0.000 0.000 0.966 74 D HN 0.427 nan 8.370 nan 0.000 0.456 75 S N 1.562 117.272 115.700 0.016 0.000 2.516 75 S HA 0.369 4.839 4.470 -0.001 0.000 0.268 75 S C -2.387 172.216 174.600 0.004 0.000 1.251 75 S CA -1.114 57.084 58.200 -0.002 0.000 1.153 75 S CB 2.073 65.268 63.200 -0.009 0.000 1.009 75 S HN 0.012 nan 8.310 nan 0.000 0.479 76 P HA 0.317 nan 4.420 nan 0.000 0.284 76 P C -0.463 176.836 177.300 -0.003 0.000 1.292 76 P CA -1.017 62.083 63.100 0.000 0.000 0.800 76 P CB 0.434 32.105 31.700 -0.049 0.000 1.188 77 L N 0.873 122.110 121.223 0.022 0.000 2.628 77 L HA -0.014 4.326 4.340 -0.001 0.000 0.274 77 L C 0.412 177.382 176.870 0.166 0.000 1.209 77 L CA 0.800 55.701 54.840 0.102 0.000 0.930 77 L CB -1.098 41.095 42.059 0.225 0.000 1.183 77 L HN 0.329 nan 8.230 nan 0.000 0.492 78 E N 5.624 125.886 120.200 0.103 0.000 2.081 78 E HA 0.323 4.673 4.350 -0.001 0.000 0.281 78 E C -0.861 175.766 176.600 0.046 0.000 0.986 78 E CA -0.525 55.927 56.400 0.087 0.000 0.796 78 E CB 0.587 30.306 29.700 0.031 0.000 1.085 78 E HN 0.652 nan 8.360 nan 0.000 0.398 79 L N 1.884 123.113 121.223 0.011 0.000 2.472 79 L HA 0.352 4.692 4.340 -0.001 0.000 0.256 79 L C 0.679 177.506 176.870 -0.072 0.000 1.111 79 L CA -0.950 53.841 54.840 -0.083 0.000 0.800 79 L CB 1.130 43.054 42.059 -0.225 0.000 1.286 79 L HN 0.438 nan 8.230 nan 0.000 0.479 80 S N 0.181 115.831 115.700 -0.083 0.000 2.573 80 S HA 0.332 4.802 4.470 -0.001 0.000 0.277 80 S C 0.176 174.737 174.600 -0.065 0.000 1.346 80 S CA -0.719 57.443 58.200 -0.063 0.000 1.034 80 S CB 1.016 64.180 63.200 -0.060 0.000 0.879 80 S HN 0.630 nan 8.310 nan 0.000 0.528 81 A N 2.405 125.196 122.820 -0.049 0.000 2.366 81 A HA 0.436 4.756 4.320 -0.001 0.000 0.249 81 A C -1.098 176.459 177.584 -0.046 0.000 1.084 81 A CA -1.197 50.813 52.037 -0.044 0.000 0.794 81 A CB -0.757 18.224 19.000 -0.033 0.000 1.034 81 A HN 0.676 nan 8.150 nan 0.000 0.491 82 P HA 0.063 nan 4.420 nan 0.000 0.236 82 P C 0.352 177.628 177.300 -0.039 0.000 1.172 82 P CA 1.042 64.121 63.100 -0.035 0.000 0.759 82 P CB 0.091 31.775 31.700 -0.027 0.000 0.843 83 I N -4.420 116.123 120.570 -0.046 0.000 3.639 83 I HA 0.166 4.335 4.170 -0.001 0.000 0.265 83 I C 1.585 177.685 176.117 -0.029 0.000 1.087 83 I CA 0.494 61.759 61.300 -0.059 0.000 1.427 83 I CB -0.432 37.479 38.000 -0.147 0.000 1.824 83 I HN 0.019 nan 8.210 nan 0.000 0.391 84 G N 2.533 111.311 108.800 -0.037 0.000 2.629 84 G HA2 -0.330 3.630 3.960 -0.001 0.000 0.313 84 G HA3 -0.330 3.630 3.960 -0.001 0.000 0.313 84 G C 0.117 175.054 174.900 0.061 0.000 1.217 84 G CA 0.214 45.312 45.100 -0.003 0.000 0.994 84 G HN 0.313 nan 8.290 nan 0.000 0.549 85 K N 2.528 122.953 120.400 0.042 0.000 2.379 85 K HA 0.412 4.731 4.320 -0.001 0.000 0.284 85 K C 0.249 176.882 176.600 0.055 0.000 1.044 85 K CA 0.324 56.635 56.287 0.039 0.000 0.974 85 K CB 0.516 32.994 32.500 -0.037 0.000 0.962 85 K HN 0.852 nan 8.250 nan 0.000 0.474 86 H N 1.214 120.223 119.070 -0.103 0.000 3.012 86 H HA 0.267 4.823 4.556 -0.001 0.000 0.367 86 H C -1.450 173.848 175.328 -0.051 0.000 1.211 86 H CA -0.852 55.139 56.048 -0.095 0.000 1.139 86 H CB 0.458 30.228 29.762 0.014 0.000 1.838 86 H HN 0.306 nan 8.280 nan 0.000 0.550 87 Y N 0.660 120.930 120.300 -0.051 0.000 2.453 87 Y HA 0.466 5.015 4.550 -0.001 0.000 0.326 87 Y C 0.388 176.275 175.900 -0.021 0.000 1.186 87 Y CA -0.997 57.020 58.100 -0.139 0.000 1.200 87 Y CB 1.756 40.127 38.460 -0.148 0.000 1.247 87 Y HN 0.415 nan 8.280 nan 0.000 0.482 88 V N 2.393 122.368 119.914 0.102 0.000 2.547 88 V HA 0.535 4.655 4.120 -0.001 0.000 0.299 88 V C -0.729 175.338 176.094 -0.044 0.000 1.040 88 V CA -0.932 61.405 62.300 0.062 0.000 0.913 88 V CB 1.832 33.660 31.823 0.008 0.000 0.992 88 V HN 0.472 nan 8.190 nan 0.000 0.449 89 V N 5.909 125.809 119.914 -0.024 0.000 2.376 89 V HA 0.421 4.540 4.120 -0.001 0.000 0.287 89 V C -0.265 175.811 176.094 -0.030 0.000 1.015 89 V CA -0.426 61.847 62.300 -0.044 0.000 0.834 89 V CB 1.469 33.282 31.823 -0.017 0.000 1.001 89 V HN 0.623 nan 8.190 nan 0.000 0.428 90 L N 3.782 124.978 121.223 -0.045 0.000 2.305 90 L HA 0.435 4.775 4.340 -0.001 0.000 0.281 90 L C 0.381 177.237 176.870 -0.023 0.000 1.085 90 L CA -0.256 54.554 54.840 -0.050 0.000 0.813 90 L CB 1.082 43.098 42.059 -0.072 0.000 1.157 90 L HN 0.636 nan 8.230 nan 0.000 0.436 91 D N 1.066 121.454 120.400 -0.019 0.000 2.357 91 D HA -0.028 4.611 4.640 -0.001 0.000 0.242 91 D C 1.187 177.476 176.300 -0.019 0.000 1.153 91 D CA 0.030 54.024 54.000 -0.009 0.000 0.918 91 D CB 1.407 42.206 40.800 -0.002 0.000 1.181 91 D HN 0.594 nan 8.370 nan 0.000 0.435 92 T N 1.405 115.952 114.554 -0.012 0.000 2.708 92 T HA -0.191 4.158 4.350 -0.001 0.000 0.266 92 T C 1.519 176.207 174.700 -0.020 0.000 1.037 92 T CA 1.737 63.828 62.100 -0.015 0.000 1.146 92 T CB -0.422 68.440 68.868 -0.010 0.000 0.865 92 T HN 0.405 nan 8.240 nan 0.000 0.435 93 N N 0.303 118.995 118.700 -0.014 0.000 2.453 93 N HA 0.012 4.752 4.740 -0.001 0.000 0.183 93 N C 1.695 177.191 175.510 -0.024 0.000 1.041 93 N CA 0.678 53.719 53.050 -0.015 0.000 0.900 93 N CB -0.287 38.197 38.487 -0.006 0.000 0.961 93 N HN 0.308 nan 8.380 nan 0.000 0.443 94 V N -0.643 119.252 119.914 -0.032 0.000 2.379 94 V HA -0.136 3.984 4.120 -0.001 0.000 0.245 94 V C 2.123 178.171 176.094 -0.076 0.000 1.044 94 V CA 1.066 63.336 62.300 -0.051 0.000 1.036 94 V CB -0.354 31.432 31.823 -0.062 0.000 0.664 94 V HN 0.088 nan 8.190 nan 0.000 0.453 95 V N -0.103 119.767 119.914 -0.074 0.000 2.261 95 V HA -0.254 3.865 4.120 -0.001 0.000 0.246 95 V C 2.363 178.414 176.094 -0.071 0.000 1.047 95 V CA 1.968 64.217 62.300 -0.085 0.000 1.015 95 V CB -0.589 31.194 31.823 -0.066 0.000 0.642 95 V HN 0.421 nan 8.190 nan 0.000 0.446 96 L N 0.002 121.197 121.223 -0.048 0.000 2.043 96 L HA -0.305 4.034 4.340 -0.001 0.000 0.212 96 L C 2.917 179.762 176.870 -0.042 0.000 1.075 96 L CA 2.414 57.231 54.840 -0.038 0.000 0.752 96 L CB -0.861 41.184 42.059 -0.023 0.000 0.891 96 L HN 0.566 nan 8.230 nan 0.000 0.432 97 Q N -0.834 118.942 119.800 -0.040 0.000 2.398 97 Q HA 0.340 4.680 4.340 -0.001 0.000 0.204 97 Q C 1.528 177.504 176.000 -0.040 0.000 0.932 97 Q CA 0.956 56.739 55.803 -0.033 0.000 0.916 97 Q CB 0.048 28.774 28.738 -0.020 0.000 1.024 97 Q HN 0.569 nan 8.270 nan 0.000 0.504 98 A N -0.767 122.016 122.820 -0.061 0.000 2.592 98 A HA 0.488 4.808 4.320 -0.001 0.000 0.290 98 A C 1.301 178.817 177.584 -0.114 0.000 0.998 98 A CA 0.192 52.185 52.037 -0.074 0.000 0.983 98 A CB -0.003 18.952 19.000 -0.075 0.000 1.240 98 A HN 0.410 nan 8.150 nan 0.000 0.535 99 I N 0.291 120.795 120.570 -0.109 0.000 2.399 99 I HA -0.210 3.959 4.170 -0.001 0.000 0.254 99 I C 1.510 177.555 176.117 -0.119 0.000 1.146 99 I CA 1.823 63.044 61.300 -0.132 0.000 1.412 99 I CB -0.091 37.838 38.000 -0.119 0.000 1.076 99 I HN 0.378 nan 8.210 nan 0.000 0.432 100 D N -0.214 120.137 120.400 -0.082 0.000 2.117 100 D HA -0.143 4.496 4.640 -0.001 0.000 0.198 100 D C 2.043 178.319 176.300 -0.040 0.000 0.982 100 D CA 1.095 55.060 54.000 -0.058 0.000 0.828 100 D CB -0.049 40.729 40.800 -0.037 0.000 0.967 100 D HN 0.306 nan 8.370 nan 0.000 0.464 101 L N 0.886 122.089 121.223 -0.033 0.000 2.179 101 L HA -0.005 4.334 4.340 -0.001 0.000 0.208 101 L C 2.232 179.108 176.870 0.009 0.000 1.096 101 L CA 0.919 55.773 54.840 0.022 0.000 0.779 101 L CB -0.382 41.717 42.059 0.066 0.000 0.922 101 L HN -0.012 nan 8.230 nan 0.000 0.443 102 L N -0.917 120.222 121.223 -0.139 0.000 2.083 102 L HA -0.204 4.135 4.340 -0.001 0.000 0.209 102 L C 2.150 178.998 176.870 -0.037 0.000 1.083 102 L CA 1.299 56.036 54.840 -0.172 0.000 0.752 102 L CB -0.570 41.344 42.059 -0.242 0.000 0.899 102 L HN 0.312 nan 8.230 nan 0.000 0.433 103 E N -0.237 119.913 120.200 -0.084 0.000 2.478 103 E HA -0.080 4.269 4.350 -0.001 0.000 0.198 103 E C 0.674 177.277 176.600 0.004 0.000 1.046 103 E CA -0.229 56.127 56.400 -0.072 0.000 0.870 103 E CB -0.034 29.610 29.700 -0.092 0.000 0.818 103 E HN 0.322 nan 8.360 nan 0.000 0.527 104 N N 1.592 120.317 118.700 0.041 0.000 2.513 104 N HA -0.005 4.734 4.740 -0.001 0.000 0.268 104 N C -1.820 173.738 175.510 0.081 0.000 1.180 104 N CA -1.235 51.851 53.050 0.059 0.000 0.948 104 N CB 1.150 39.684 38.487 0.077 0.000 1.083 104 N HN -0.121 nan 8.380 nan 0.000 0.455 105 P HA 0.078 nan 4.420 nan 0.000 0.245 105 P C -0.282 177.165 177.300 0.244 0.000 1.212 105 P CA 0.620 63.805 63.100 0.143 0.000 0.774 105 P CB 0.352 32.097 31.700 0.074 0.000 0.999 106 N N -0.568 118.233 118.700 0.168 0.000 2.282 106 N HA 0.101 4.840 4.740 -0.001 0.000 0.240 106 N C 0.797 176.360 175.510 0.089 0.000 1.182 106 N CA 0.100 53.297 53.050 0.245 0.000 0.874 106 N CB 0.358 38.936 38.487 0.153 0.000 1.126 106 N HN 0.336 nan 8.380 nan 0.000 0.516 107 C N -2.460 116.670 119.300 -0.283 0.000 3.363 107 C HA 0.447 4.906 4.460 -0.001 0.000 0.539 107 C C 0.249 174.647 174.990 -0.987 0.000 1.240 107 C CA -0.515 58.218 59.018 -0.474 0.000 2.560 107 C CB -0.181 27.480 27.740 -0.133 0.000 3.458 107 C HN -0.042 nan 8.230 nan 0.000 0.472 108 F N 2.073 121.578 119.950 -0.742 0.000 2.332 108 F HA 0.621 5.147 4.527 -0.001 0.000 0.368 108 F C 0.602 176.059 175.800 -0.571 0.000 1.110 108 F CA -0.801 56.884 58.000 -0.525 0.000 1.087 108 F CB 0.893 39.761 39.000 -0.220 0.000 1.235 108 F HN 0.049 nan 8.300 nan 0.000 0.470 109 F N -0.374 119.614 119.950 0.064 0.000 2.553 109 F HA 0.155 4.682 4.527 -0.001 0.000 0.282 109 F C 0.563 176.319 175.800 -0.074 0.000 1.089 109 F CA 0.010 58.028 58.000 0.030 0.000 1.411 109 F CB 0.220 39.243 39.000 0.039 0.000 1.125 109 F HN 0.155 nan 8.300 nan 0.000 0.610 110 D N 1.022 121.432 120.400 0.017 0.000 2.469 110 D HA 0.456 5.095 4.640 -0.001 0.000 0.251 110 D C -0.991 175.138 176.300 -0.285 0.000 1.173 110 D CA 0.225 54.152 54.000 -0.122 0.000 0.882 110 D CB 2.584 43.426 40.800 0.070 0.000 1.129 110 D HN -0.220 nan 8.370 nan 0.000 0.549 111 V N 2.877 122.467 119.914 -0.540 0.000 2.656 111 V HA 0.494 4.614 4.120 -0.001 0.000 0.307 111 V C 0.226 176.085 176.094 -0.391 0.000 1.051 111 V CA -0.796 61.162 62.300 -0.570 0.000 0.893 111 V CB 2.439 33.606 31.823 -1.094 0.000 0.999 111 V HN 0.372 nan 8.190 nan 0.000 0.426 112 I N 3.723 124.130 120.570 -0.270 0.000 2.354 112 I HA 0.433 4.602 4.170 -0.001 0.000 0.292 112 I C -0.560 175.518 176.117 -0.066 0.000 0.989 112 I CA -0.646 60.540 61.300 -0.190 0.000 1.188 112 I CB 1.974 39.779 38.000 -0.324 0.000 1.342 112 I HN 0.309 nan 8.210 nan 0.000 0.457 113 V N 8.911 128.832 119.914 0.011 0.000 2.293 113 V HA 0.277 4.397 4.120 -0.001 0.000 0.275 113 V C -2.185 173.934 176.094 0.041 0.000 1.021 113 V CA -1.885 60.433 62.300 0.030 0.000 0.815 113 V CB 0.982 32.833 31.823 0.048 0.000 1.025 113 V HN 0.553 nan 8.190 nan 0.000 0.448 114 P HA -0.049 nan 4.420 nan 0.000 0.264 114 P C 0.874 178.161 177.300 -0.021 0.000 1.183 114 P CA 0.396 63.548 63.100 0.087 0.000 0.763 114 P CB 0.553 32.306 31.700 0.088 0.000 0.807 115 Q N 3.994 123.729 119.800 -0.107 0.000 2.152 115 Q HA -0.201 4.139 4.340 -0.001 0.000 0.206 115 Q C 1.605 177.529 176.000 -0.127 0.000 0.985 115 Q CA 1.563 57.237 55.803 -0.215 0.000 0.863 115 Q CB -0.360 28.173 28.738 -0.342 0.000 0.904 115 Q HN 0.478 nan 8.270 nan 0.000 0.422 116 I N 0.166 120.689 120.570 -0.078 0.000 2.493 116 I HA -0.211 3.959 4.170 -0.001 0.000 0.254 116 I C 1.764 177.861 176.117 -0.033 0.000 1.160 116 I CA 0.559 61.830 61.300 -0.048 0.000 1.445 116 I CB 0.170 38.162 38.000 -0.013 0.000 1.086 116 I HN 0.143 nan 8.210 nan 0.000 0.433 117 V N 0.417 120.316 119.914 -0.024 0.000 2.407 117 V HA -0.220 3.900 4.120 -0.001 0.000 0.245 117 V C 2.244 178.325 176.094 -0.022 0.000 1.041 117 V CA 1.243 63.533 62.300 -0.016 0.000 1.040 117 V CB -0.311 31.510 31.823 -0.004 0.000 0.671 117 V HN 0.402 nan 8.190 nan 0.000 0.455 118 L N 0.439 121.644 121.223 -0.029 0.000 2.043 118 L HA -0.217 4.123 4.340 -0.001 0.000 0.212 118 L C 2.009 178.841 176.870 -0.063 0.000 1.075 118 L CA 2.166 56.997 54.840 -0.015 0.000 0.752 118 L CB -0.708 41.339 42.059 -0.021 0.000 0.891 118 L HN 0.303 nan 8.230 nan 0.000 0.432 119 D N -0.198 120.151 120.400 -0.085 0.000 2.091 119 D HA -0.122 4.517 4.640 -0.001 0.000 0.199 119 D C 2.317 178.570 176.300 -0.079 0.000 0.980 119 D CA 1.579 55.514 54.000 -0.108 0.000 0.831 119 D CB -0.231 40.517 40.800 -0.087 0.000 0.987 119 D HN 0.581 nan 8.370 nan 0.000 0.460 120 E N 0.764 120.936 120.200 -0.046 0.000 2.153 120 E HA -0.124 4.226 4.350 -0.001 0.000 0.194 120 E C 2.317 178.902 176.600 -0.024 0.000 0.988 120 E CA 1.070 57.453 56.400 -0.027 0.000 0.811 120 E CB -0.973 28.718 29.700 -0.015 0.000 0.746 120 E HN 0.139 nan 8.360 nan 0.000 0.466 121 V N 0.586 120.485 119.914 -0.025 0.000 2.307 121 V HA -0.218 3.902 4.120 -0.001 0.000 0.245 121 V C 2.674 178.762 176.094 -0.010 0.000 1.045 121 V CA 2.049 64.344 62.300 -0.010 0.000 1.024 121 V CB -0.442 31.384 31.823 0.005 0.000 0.651 121 V HN 0.560 nan 8.190 nan 0.000 0.449 122 R N 0.066 120.524 120.500 -0.070 0.000 2.152 122 R HA -0.144 4.195 4.340 -0.001 0.000 0.232 122 R C 2.034 178.309 176.300 -0.041 0.000 1.117 122 R CA 1.491 57.501 56.100 -0.150 0.000 0.981 122 R CB -0.146 29.826 30.300 -0.545 0.000 0.870 122 R HN 0.572 nan 8.270 nan 0.000 0.451 123 N N -0.027 118.653 118.700 -0.033 0.000 2.333 123 N HA -0.095 4.645 4.740 -0.001 0.000 0.178 123 N C 1.865 177.391 175.510 0.027 0.000 1.018 123 N CA 1.463 54.514 53.050 0.002 0.000 0.882 123 N CB 0.056 38.537 38.487 -0.009 0.000 0.984 123 N HN 0.277 nan 8.380 nan 0.000 0.434 124 K N 0.873 121.286 120.400 0.021 0.000 2.103 124 K HA 0.050 4.369 4.320 -0.001 0.000 0.204 124 K C 1.052 177.683 176.600 0.051 0.000 1.052 124 K CA 0.989 57.295 56.287 0.031 0.000 0.945 124 K CB -0.080 32.431 32.500 0.018 0.000 0.722 124 K HN 0.183 nan 8.250 nan 0.000 0.443 125 S N -1.654 114.083 115.700 0.061 0.000 2.599 125 S HA 0.316 4.786 4.470 -0.001 0.000 0.269 125 S C 0.072 174.751 174.600 0.132 0.000 1.135 125 S CA -0.616 57.640 58.200 0.092 0.000 1.027 125 S CB 0.239 63.471 63.200 0.053 0.000 1.129 125 S HN 0.338 nan 8.310 nan 0.000 0.458 126 Y N 6.249 126.595 120.300 0.077 0.000 2.224 126 Y HA 0.128 4.678 4.550 -0.001 0.000 0.289 126 Y C -1.379 174.612 175.900 0.152 0.000 1.146 126 Y CA 1.889 60.072 58.100 0.139 0.000 1.182 126 Y CB -0.665 37.857 38.460 0.102 0.000 0.983 126 Y HN 0.531 nan 8.280 nan 0.000 0.524 127 P HA -0.202 nan 4.420 nan 0.000 0.215 127 P C 1.883 179.153 177.300 -0.051 0.000 1.157 127 P CA 2.162 65.303 63.100 0.068 0.000 0.868 127 P CB -0.031 31.701 31.700 0.053 0.000 0.788 128 V N -0.993 118.901 119.914 -0.034 0.000 2.343 128 V HA -0.278 3.842 4.120 -0.001 0.000 0.247 128 V C 2.396 178.423 176.094 -0.112 0.000 1.051 128 V CA 1.895 64.151 62.300 -0.073 0.000 1.036 128 V CB -1.590 30.206 31.823 -0.045 0.000 0.654 128 V HN 0.065 nan 8.190 nan 0.000 0.451 129 Y N 1.792 121.966 120.300 -0.209 0.000 2.114 129 Y HA -0.314 4.236 4.550 -0.001 0.000 0.282 129 Y C 2.603 178.317 175.900 -0.311 0.000 1.165 129 Y CA 2.322 60.258 58.100 -0.273 0.000 1.148 129 Y CB -1.073 37.168 38.460 -0.364 0.000 0.972 129 Y HN 0.200 nan 8.280 nan 0.000 0.504 130 T N 1.133 115.253 114.554 -0.724 0.000 2.653 130 T HA -0.254 4.096 4.350 -0.001 0.000 0.268 130 T C 1.874 176.289 174.700 -0.475 0.000 1.035 130 T CA 2.272 63.962 62.100 -0.684 0.000 1.154 130 T CB -0.253 68.421 68.868 -0.323 0.000 0.862 130 T HN 0.418 nan 8.240 nan 0.000 0.441 131 R N 0.002 120.303 120.500 -0.333 0.000 2.115 131 R HA 0.096 4.436 4.340 -0.001 0.000 0.226 131 R C 2.292 178.402 176.300 -0.317 0.000 1.100 131 R CA 0.667 56.606 56.100 -0.268 0.000 0.980 131 R CB -0.383 29.798 30.300 -0.199 0.000 0.875 131 R HN 0.223 nan 8.270 nan 0.000 0.445 132 L N 0.812 121.836 121.223 -0.332 0.000 2.217 132 L HA -0.045 4.295 4.340 -0.001 0.000 0.211 132 L C 2.068 178.737 176.870 -0.334 0.000 1.107 132 L CA 1.569 56.213 54.840 -0.327 0.000 0.783 132 L CB -0.150 41.786 42.059 -0.204 0.000 0.919 132 L HN -0.037 nan 8.230 nan 0.000 0.442 133 R N -1.033 119.222 120.500 -0.408 0.000 2.093 133 R HA 0.003 4.342 4.340 -0.001 0.000 0.224 133 R C 2.025 178.173 176.300 -0.254 0.000 1.101 133 R CA 1.445 57.341 56.100 -0.341 0.000 0.979 133 R CB -0.867 29.138 30.300 -0.492 0.000 0.877 133 R HN 0.382 nan 8.270 nan 0.000 0.441 134 T N 2.204 116.595 114.554 -0.270 0.000 2.684 134 T HA -0.126 4.223 4.350 -0.001 0.000 0.267 134 T C 2.061 176.645 174.700 -0.193 0.000 1.036 134 T CA 1.169 63.150 62.100 -0.198 0.000 1.148 134 T CB -0.269 68.487 68.868 -0.186 0.000 0.863 134 T HN 0.129 nan 8.240 nan 0.000 0.436 135 L N 0.461 121.506 121.223 -0.297 0.000 1.989 135 L HA -0.169 4.171 4.340 -0.001 0.000 0.211 135 L C 3.049 179.811 176.870 -0.181 0.000 1.071 135 L CA 1.225 55.840 54.840 -0.374 0.000 0.749 135 L CB -0.905 40.602 42.059 -0.921 0.000 0.890 135 L HN 0.386 nan 8.230 nan 0.000 0.431 136 C N -0.519 118.703 119.300 -0.130 0.000 2.367 136 C HA -0.269 4.190 4.460 -0.001 0.000 0.276 136 C C 3.031 178.027 174.990 0.010 0.000 1.195 136 C CA 1.480 60.513 59.018 0.025 0.000 1.756 136 C CB -1.062 26.682 27.740 0.007 0.000 2.046 136 C HN 0.495 nan 8.230 nan 0.000 0.453 137 R N 0.766 121.244 120.500 -0.037 0.000 2.091 137 R HA -0.146 4.193 4.340 -0.001 0.000 0.238 137 R C 0.677 176.973 176.300 -0.007 0.000 1.136 137 R CA 2.080 58.166 56.100 -0.024 0.000 0.959 137 R CB -0.359 29.911 30.300 -0.051 0.000 0.856 137 R HN 0.468 nan 8.270 nan 0.000 0.437 138 D N 0.485 120.876 120.400 -0.015 0.000 2.352 138 D HA 0.091 4.731 4.640 -0.001 0.000 0.236 138 D C -0.544 175.783 176.300 0.045 0.000 1.148 138 D CA 0.240 54.244 54.000 0.006 0.000 0.844 138 D CB 0.461 41.254 40.800 -0.013 0.000 0.933 138 D HN 0.044 nan 8.370 nan 0.000 0.507 139 S N 1.690 117.427 115.700 0.061 0.000 2.549 139 S HA 0.266 4.736 4.470 -0.001 0.000 0.286 139 S C 0.203 174.847 174.600 0.073 0.000 1.314 139 S CA -0.139 58.119 58.200 0.096 0.000 1.062 139 S CB 0.625 63.883 63.200 0.097 0.000 0.865 139 S HN 0.386 nan 8.310 nan 0.000 0.498 140 D N 0.904 121.353 120.400 0.081 0.000 2.946 140 D HA 0.236 4.875 4.640 -0.001 0.000 0.337 140 D C -0.203 176.101 176.300 0.008 0.000 1.332 140 D CA -0.588 53.435 54.000 0.038 0.000 0.935 140 D CB -0.269 40.556 40.800 0.042 0.000 1.440 140 D HN 0.205 nan 8.370 nan 0.000 0.540 141 D N -1.203 119.140 120.400 -0.096 0.000 2.221 141 D HA -0.090 4.550 4.640 -0.001 0.000 0.204 141 D C 1.456 177.665 176.300 -0.152 0.000 0.982 141 D CA 1.434 55.332 54.000 -0.170 0.000 0.857 141 D CB -0.241 40.378 40.800 -0.301 0.000 0.934 141 D HN 0.479 nan 8.370 nan 0.000 0.475 142 H N -0.808 118.295 119.070 0.056 0.000 2.370 142 H HA 0.186 4.741 4.556 -0.001 0.000 0.304 142 H C 0.920 176.371 175.328 0.206 0.000 1.055 142 H CA 0.619 56.712 56.048 0.076 0.000 1.373 142 H CB 0.620 30.445 29.762 0.104 0.000 1.423 142 H HN -0.115 nan 8.280 nan 0.000 0.533 143 K N 0.192 120.805 120.400 0.356 0.000 2.498 143 K HA 0.457 4.776 4.320 -0.001 0.000 0.254 143 K C -1.510 175.271 176.600 0.301 0.000 0.933 143 K CA -0.745 55.787 56.287 0.408 0.000 0.806 143 K CB 1.983 34.748 32.500 0.441 0.000 1.301 143 K HN 0.053 nan 8.250 nan 0.000 0.432 144 R N 3.103 123.767 120.500 0.274 0.000 2.510 144 R HA 0.383 4.723 4.340 -0.001 0.000 0.287 144 R C -1.543 174.820 176.300 0.104 0.000 1.084 144 R CA -0.542 55.672 56.100 0.190 0.000 0.934 144 R CB 1.325 31.672 30.300 0.079 0.000 1.201 144 R HN 0.387 nan 8.270 nan 0.000 0.431 145 F N 3.686 123.627 119.950 -0.015 0.000 2.551 145 F HA 0.608 5.134 4.527 -0.001 0.000 0.316 145 F C 0.186 175.955 175.800 -0.052 0.000 1.089 145 F CA -1.126 56.846 58.000 -0.047 0.000 0.915 145 F CB 1.886 40.853 39.000 -0.055 0.000 1.186 145 F HN 0.357 nan 8.300 nan 0.000 0.456 146 I N -0.106 120.511 120.570 0.079 0.000 2.892 146 I HA 0.772 4.942 4.170 -0.001 0.000 0.306 146 I C -1.469 174.684 176.117 0.059 0.000 1.078 146 I CA -1.187 60.147 61.300 0.056 0.000 1.032 146 I CB 1.931 39.945 38.000 0.024 0.000 1.229 146 I HN 0.193 nan 8.210 nan 0.000 0.435 147 V N 3.792 123.727 119.914 0.036 0.000 2.394 147 V HA 0.364 4.484 4.120 -0.001 0.000 0.282 147 V C -0.835 175.267 176.094 0.013 0.000 1.031 147 V CA -0.265 62.014 62.300 -0.033 0.000 0.881 147 V CB 1.215 32.942 31.823 -0.160 0.000 0.982 147 V HN 0.585 nan 8.190 nan 0.000 0.451 148 F N 4.220 124.120 119.950 -0.083 0.000 2.426 148 F HA 0.486 5.013 4.527 -0.001 0.000 0.348 148 F C 0.559 176.297 175.800 -0.103 0.000 1.124 148 F CA -0.634 57.371 58.000 0.008 0.000 1.008 148 F CB 0.955 40.100 39.000 0.242 0.000 1.139 148 F HN 0.598 nan 8.300 nan 0.000 0.452 149 H N 6.015 124.631 119.070 -0.757 0.000 3.220 149 H HA 0.064 4.620 4.556 -0.001 0.000 0.225 149 H C 1.503 176.424 175.328 -0.679 0.000 1.869 149 H CA 0.188 55.888 56.048 -0.580 0.000 1.428 149 H CB -0.208 29.344 29.762 -0.350 0.000 1.792 149 H HN 0.590 nan 8.280 nan 0.000 0.595 150 N N 0.795 119.293 118.700 -0.336 0.000 2.258 150 N HA -0.208 4.531 4.740 -0.001 0.000 0.187 150 N C 0.840 176.341 175.510 -0.014 0.000 1.012 150 N CA 1.164 54.187 53.050 -0.045 0.000 0.870 150 N CB 0.268 38.871 38.487 0.193 0.000 0.977 150 N HN 0.492 nan 8.380 nan 0.000 0.434 151 E N -0.515 119.629 120.200 -0.093 0.000 2.435 151 E HA 0.007 4.356 4.350 -0.001 0.000 0.195 151 E C 0.728 177.395 176.600 0.112 0.000 1.029 151 E CA 0.310 56.760 56.400 0.083 0.000 0.865 151 E CB -0.153 29.491 29.700 -0.093 0.000 0.833 151 E HN 0.429 nan 8.360 nan 0.000 0.510 152 F N 0.826 120.764 119.950 -0.020 0.000 2.717 152 F HA 0.082 4.609 4.527 -0.001 0.000 0.295 152 F C 1.293 177.006 175.800 -0.144 0.000 1.117 152 F CA -0.542 57.384 58.000 -0.123 0.000 1.361 152 F CB -0.364 38.502 39.000 -0.222 0.000 1.112 152 F HN -0.247 nan 8.300 nan 0.000 0.594 153 S N 0.086 115.768 115.700 -0.031 0.000 2.580 153 S HA 0.121 4.591 4.470 -0.001 0.000 0.274 153 S C 1.029 175.562 174.600 -0.111 0.000 1.329 153 S CA -0.505 57.584 58.200 -0.185 0.000 1.036 153 S CB 1.290 64.278 63.200 -0.352 0.000 0.919 153 S HN 0.308 nan 8.310 nan 0.000 0.515 154 E N 0.834 120.899 120.200 -0.225 0.000 2.110 154 E HA -0.172 4.178 4.350 -0.001 0.000 0.193 154 E C 1.537 178.161 176.600 0.040 0.000 0.988 154 E CA 1.546 57.904 56.400 -0.069 0.000 0.804 154 E CB -0.199 29.467 29.700 -0.055 0.000 0.745 154 E HN 0.721 nan 8.360 nan 0.000 0.458 155 H N -0.324 118.717 119.070 -0.049 0.000 2.333 155 H HA 0.020 4.575 4.556 -0.001 0.000 0.302 155 H C 2.094 177.362 175.328 -0.100 0.000 1.075 155 H CA 1.616 57.608 56.048 -0.092 0.000 1.348 155 H CB -0.651 28.948 29.762 -0.271 0.000 1.393 155 H HN 0.093 nan 8.280 nan 0.000 0.509 156 T N 1.197 115.717 114.554 -0.057 0.000 3.035 156 T HA 0.016 4.366 4.350 -0.001 0.000 0.259 156 T C 0.582 175.327 174.700 0.075 0.000 1.078 156 T CA -0.257 61.846 62.100 0.005 0.000 1.132 156 T CB -0.324 68.559 68.868 0.026 0.000 0.900 156 T HN 0.073 nan 8.240 nan 0.000 0.480 157 F N 2.754 122.696 119.950 -0.013 0.000 2.563 157 F HA 0.372 4.899 4.527 -0.001 0.000 0.363 157 F C -0.236 175.562 175.800 -0.003 0.000 1.123 157 F CA -0.610 57.391 58.000 0.001 0.000 1.307 157 F CB 0.449 39.457 39.000 0.013 0.000 1.115 157 F HN -0.216 nan 8.300 nan 0.000 0.592 158 V N 4.541 123.733 119.914 -1.203 0.000 2.604 158 V HA 0.708 4.827 4.120 -0.001 0.000 0.305 158 V C -0.124 175.259 176.094 -1.186 0.000 1.043 158 V CA 0.174 61.953 62.300 -0.868 0.000 0.888 158 V CB 1.276 32.855 31.823 -0.407 0.000 0.995 158 V HN 1.028 nan 8.190 nan 0.000 0.429 168 D N 1.425 121.823 120.400 -0.004 0.000 2.557 168 D HA 0.281 4.921 4.640 -0.001 0.000 0.236 168 D C 0.826 177.119 176.300 -0.012 0.000 1.154 168 D CA -0.167 53.830 54.000 -0.005 0.000 0.985 168 D CB 0.289 41.089 40.800 -0.001 0.000 1.010 168 D HN 0.328 nan 8.370 nan 0.000 0.516 169 R N 1.357 121.844 120.500 -0.021 0.000 2.178 169 R HA -0.240 4.099 4.340 -0.001 0.000 0.257 169 R C 0.790 177.069 176.300 -0.036 0.000 1.163 169 R CA 1.339 57.415 56.100 -0.039 0.000 0.981 169 R CB 0.186 30.457 30.300 -0.049 0.000 0.878 169 R HN 0.221 nan 8.270 nan 0.000 0.454 170 N N 0.525 119.214 118.700 -0.018 0.000 2.459 170 N HA -0.100 4.640 4.740 -0.001 0.000 0.181 170 N C 0.822 176.331 175.510 -0.003 0.000 1.046 170 N CA 1.000 54.044 53.050 -0.010 0.000 0.904 170 N CB -0.160 38.326 38.487 -0.001 0.000 0.964 170 N HN 0.304 nan 8.380 nan 0.000 0.444 171 D N 0.247 120.645 120.400 -0.002 0.000 2.120 171 D HA -0.058 4.582 4.640 -0.001 0.000 0.202 171 D C 1.895 178.199 176.300 0.007 0.000 0.972 171 D CA 0.568 54.571 54.000 0.006 0.000 0.837 171 D CB -0.114 40.690 40.800 0.006 0.000 0.989 171 D HN 0.208 nan 8.370 nan 0.000 0.469 172 R N 0.802 121.299 120.500 -0.004 0.000 2.159 172 R HA -0.096 4.244 4.340 -0.001 0.000 0.237 172 R C 2.001 178.295 176.300 -0.010 0.000 1.131 172 R CA 1.235 57.331 56.100 -0.008 0.000 0.982 172 R CB -0.045 30.240 30.300 -0.025 0.000 0.868 172 R HN 0.089 nan 8.270 nan 0.000 0.453 173 A N 0.959 123.766 122.820 -0.021 0.000 1.858 173 A HA -0.158 4.162 4.320 -0.001 0.000 0.216 173 A C 2.095 179.699 177.584 0.034 0.000 1.190 173 A CA 1.470 53.496 52.037 -0.019 0.000 0.617 173 A CB -0.445 18.542 19.000 -0.021 0.000 0.827 173 A HN 0.341 nan 8.150 nan 0.000 0.443 174 I N -1.239 119.355 120.570 0.041 0.000 2.252 174 I HA -0.219 3.951 4.170 -0.001 0.000 0.245 174 I C 2.763 178.930 176.117 0.083 0.000 1.102 174 I CA 1.120 62.460 61.300 0.067 0.000 1.385 174 I CB -0.333 37.695 38.000 0.046 0.000 1.064 174 I HN 0.268 nan 8.210 nan 0.000 0.414 175 R N 0.580 121.118 120.500 0.063 0.000 2.097 175 R HA -0.238 4.101 4.340 -0.001 0.000 0.236 175 R C 2.581 178.941 176.300 0.101 0.000 1.135 175 R CA 2.083 58.225 56.100 0.071 0.000 0.934 175 R CB -0.481 29.849 30.300 0.049 0.000 0.846 175 R HN 0.064 nan 8.270 nan 0.000 0.431 176 K N 0.146 120.603 120.400 0.095 0.000 2.211 176 K HA -0.130 4.190 4.320 -0.001 0.000 0.204 176 K C 1.972 178.697 176.600 0.208 0.000 1.047 176 K CA 1.976 58.340 56.287 0.128 0.000 0.935 176 K CB -0.661 31.889 32.500 0.083 0.000 0.728 176 K HN 0.478 nan 8.250 nan 0.000 0.452 177 T N -0.236 114.447 114.554 0.215 0.000 2.788 177 T HA -0.145 4.204 4.350 -0.001 0.000 0.268 177 T C 2.075 177.004 174.700 0.382 0.000 1.044 177 T CA 1.605 63.895 62.100 0.317 0.000 1.139 177 T CB -0.657 68.397 68.868 0.310 0.000 0.867 177 T HN 0.490 nan 8.240 nan 0.000 0.454 178 C N 1.107 120.562 119.300 0.258 0.000 2.466 178 C HA -0.015 4.445 4.460 -0.001 0.000 0.278 178 C C 2.953 178.075 174.990 0.220 0.000 1.288 178 C CA 0.291 59.441 59.018 0.221 0.000 1.722 178 C CB -1.085 26.736 27.740 0.136 0.000 2.017 178 C HN 0.574 nan 8.230 nan 0.000 0.488 179 Q N -0.876 119.041 119.800 0.195 0.000 2.061 179 Q HA -0.259 4.081 4.340 -0.001 0.000 0.204 179 Q C 1.946 178.056 176.000 0.184 0.000 0.984 179 Q CA 2.164 58.063 55.803 0.161 0.000 0.846 179 Q CB -0.237 28.587 28.738 0.145 0.000 0.902 179 Q HN 0.845 nan 8.270 nan 0.000 0.421 180 W N -0.222 121.126 121.300 0.081 0.000 2.354 180 W HA -0.245 4.414 4.660 -0.001 0.000 0.315 180 W C 1.606 178.151 176.519 0.043 0.000 1.206 180 W CA 1.489 58.855 57.345 0.035 0.000 1.290 180 W CB -0.471 28.986 29.460 -0.005 0.000 1.152 180 W HN 0.138 nan 8.180 nan 0.000 0.489 181 Y N 0.464 120.798 120.300 0.057 0.000 2.274 181 Y HA -0.240 4.309 4.550 -0.001 0.000 0.290 181 Y C 2.893 178.753 175.900 -0.066 0.000 1.145 181 Y CA 2.134 60.187 58.100 -0.078 0.000 1.203 181 Y CB -0.976 37.527 38.460 0.072 0.000 0.984 181 Y HN -0.136 nan 8.280 nan 0.000 0.533 182 S N -0.335 115.444 115.700 0.132 0.000 2.351 182 S HA -0.274 4.196 4.470 -0.001 0.000 0.220 182 S C 2.452 177.030 174.600 -0.037 0.000 1.035 182 S CA 1.621 59.850 58.200 0.049 0.000 1.031 182 S CB -0.637 62.595 63.200 0.052 0.000 0.928 182 S HN 0.642 nan 8.310 nan 0.000 0.433 183 E N 0.982 121.137 120.200 -0.076 0.000 2.049 183 E HA -0.282 4.067 4.350 -0.001 0.000 0.198 183 E C 1.754 178.231 176.600 -0.206 0.000 1.007 183 E CA 2.121 58.443 56.400 -0.130 0.000 0.809 183 E CB -1.532 28.096 29.700 -0.121 0.000 0.749 183 E HN 0.742 nan 8.360 nan 0.000 0.450 184 H N 0.005 118.768 119.070 -0.511 0.000 2.390 184 H HA 0.012 4.568 4.556 -0.001 0.000 0.298 184 H C 1.998 177.183 175.328 -0.237 0.000 1.106 184 H CA 2.041 57.745 56.048 -0.573 0.000 1.297 184 H CB -0.135 28.914 29.762 -1.189 0.000 1.375 184 H HN 0.353 nan 8.280 nan 0.000 0.509 185 L N -0.854 120.288 121.223 -0.136 0.000 2.408 185 L HA 0.062 4.401 4.340 -0.001 0.000 0.215 185 L C 2.425 179.220 176.870 -0.125 0.000 1.081 185 L CA 0.241 55.069 54.840 -0.019 0.000 0.840 185 L CB -0.171 41.975 42.059 0.144 0.000 1.002 185 L HN 0.109 nan 8.230 nan 0.000 0.468 186 K N 0.992 121.302 120.400 -0.150 0.000 2.108 186 K HA -0.263 4.057 4.320 -0.001 0.000 0.219 186 K C -0.569 175.876 176.600 -0.259 0.000 1.054 186 K CA 2.456 58.646 56.287 -0.162 0.000 0.945 186 K CB -1.019 31.397 32.500 -0.140 0.000 0.728 186 K HN 0.140 nan 8.250 nan 0.000 0.462 187 P HA -0.188 nan 4.420 nan 0.000 0.218 187 P C 0.074 176.998 177.300 -0.628 0.000 1.147 187 P CA 1.528 64.250 63.100 -0.630 0.000 0.827 187 P CB -0.056 31.046 31.700 -0.997 0.000 0.778 188 Y N -2.555 117.693 120.300 -0.087 0.000 2.636 188 Y HA 0.233 4.783 4.550 -0.001 0.000 0.260 188 Y C 0.650 176.502 175.900 -0.081 0.000 1.177 188 Y CA -0.751 57.304 58.100 -0.075 0.000 1.209 188 Y CB -0.698 37.721 38.460 -0.070 0.000 1.166 188 Y HN -0.148 nan 8.280 nan 0.000 0.531 189 D N -0.029 120.359 120.400 -0.020 0.000 3.059 189 D HA -0.213 4.426 4.640 -0.001 0.000 0.213 189 D C -0.301 175.973 176.300 -0.044 0.000 1.144 189 D CA 0.899 54.881 54.000 -0.031 0.000 0.975 189 D CB -1.274 39.516 40.800 -0.017 0.000 1.125 189 D HN 0.374 nan 8.370 nan 0.000 0.412 190 I N 0.320 120.857 120.570 -0.056 0.000 2.396 190 I HA 0.261 4.430 4.170 -0.001 0.000 0.292 190 I C 0.712 176.764 176.117 -0.108 0.000 0.999 190 I CA -0.477 60.727 61.300 -0.160 0.000 1.310 190 I CB 1.243 39.031 38.000 -0.352 0.000 1.404 190 I HN -0.137 nan 8.210 nan 0.000 0.496 191 N N 3.968 122.616 118.700 -0.087 0.000 2.240 191 N HA 0.475 5.215 4.740 -0.001 0.000 0.302 191 N C -1.222 174.321 175.510 0.053 0.000 1.106 191 N CA -0.452 52.598 53.050 -0.000 0.000 0.778 191 N CB 2.592 41.091 38.487 0.019 0.000 1.431 191 N HN 0.183 nan 8.380 nan 0.000 0.479 192 V N 1.872 121.835 119.914 0.081 0.000 2.481 192 V HA 0.450 4.569 4.120 -0.001 0.000 0.286 192 V C -0.084 176.085 176.094 0.124 0.000 1.042 192 V CA -0.575 61.793 62.300 0.113 0.000 0.928 192 V CB 1.575 33.461 31.823 0.104 0.000 0.986 192 V HN 0.342 nan 8.190 nan 0.000 0.462 193 V N 5.658 125.674 119.914 0.170 0.000 2.555 193 V HA 0.468 4.588 4.120 -0.001 0.000 0.302 193 V C -0.508 175.657 176.094 0.118 0.000 1.038 193 V CA -0.711 61.683 62.300 0.157 0.000 0.887 193 V CB 1.782 33.747 31.823 0.237 0.000 0.991 193 V HN 0.652 nan 8.190 nan 0.000 0.434 194 L N 6.134 127.411 121.223 0.090 0.000 2.283 194 L HA 0.575 4.915 4.340 -0.001 0.000 0.281 194 L C -0.315 176.591 176.870 0.061 0.000 1.033 194 L CA 0.085 54.961 54.840 0.061 0.000 0.848 194 L CB 1.282 43.374 42.059 0.055 0.000 1.226 194 L HN 0.469 nan 8.230 nan 0.000 0.429 195 V N 5.211 125.146 119.914 0.035 0.000 2.555 195 V HA 0.572 4.691 4.120 -0.001 0.000 0.286 195 V C 0.578 176.685 176.094 0.022 0.000 1.044 195 V CA 0.190 62.511 62.300 0.035 0.000 1.026 195 V CB 0.742 32.552 31.823 -0.022 0.000 0.981 195 V HN 0.988 nan 8.190 nan 0.000 0.480 196 T N 2.704 117.279 114.554 0.036 0.000 2.590 196 T HA 0.461 4.811 4.350 -0.001 0.000 0.282 196 T C 0.284 175.000 174.700 0.026 0.000 0.989 196 T CA -0.651 61.463 62.100 0.023 0.000 1.091 196 T CB 1.526 70.409 68.868 0.025 0.000 1.460 196 T HN 0.407 nan 8.240 nan 0.000 0.499 197 N N 0.138 118.850 118.700 0.020 0.000 2.441 197 N HA 0.308 5.047 4.740 -0.001 0.000 0.257 197 N C -0.159 175.363 175.510 0.019 0.000 1.058 197 N CA 1.080 54.142 53.050 0.020 0.000 0.853 197 N CB 0.423 38.918 38.487 0.013 0.000 1.694 197 N HN 0.875 nan 8.380 nan 0.000 0.542 211 S N 0.482 116.191 115.700 0.015 0.000 2.345 211 S HA -0.057 4.412 4.470 -0.001 0.000 0.220 211 S C 1.571 176.185 174.600 0.023 0.000 1.031 211 S CA 2.162 60.373 58.200 0.019 0.000 0.996 211 S CB -0.272 62.939 63.200 0.019 0.000 0.882 211 S HN 1.104 nan 8.310 nan 0.000 0.445 212 N N 0.066 118.777 118.700 0.019 0.000 2.707 212 N HA -0.151 4.588 4.740 -0.001 0.000 0.245 212 N C -0.428 175.099 175.510 0.028 0.000 1.103 212 N CA 1.468 54.530 53.050 0.020 0.000 0.882 212 N CB -1.268 37.230 38.487 0.019 0.000 1.160 212 N HN 0.715 nan 8.380 nan 0.000 0.587 213 I N 1.026 121.616 120.570 0.033 0.000 2.406 213 I HA 0.320 4.490 4.170 -0.001 0.000 0.290 213 I C 0.605 176.745 176.117 0.039 0.000 0.999 213 I CA -0.843 60.483 61.300 0.043 0.000 1.124 213 I CB 1.498 39.530 38.000 0.053 0.000 1.289 213 I HN -0.154 nan 8.210 nan 0.000 0.441 214 I N 5.683 126.277 120.570 0.039 0.000 2.587 214 I HA 0.050 4.220 4.170 -0.001 0.000 0.284 214 I C -0.088 176.059 176.117 0.049 0.000 1.134 214 I CA 0.841 62.162 61.300 0.035 0.000 1.410 214 I CB 0.054 38.070 38.000 0.027 0.000 1.392 214 I HN 0.592 nan 8.210 nan 0.000 0.545 215 T N 6.382 120.963 114.554 0.045 0.000 2.890 215 T HA 0.440 4.789 4.350 -0.001 0.000 0.295 215 T C -0.453 174.280 174.700 0.055 0.000 0.993 215 T CA -1.021 61.110 62.100 0.051 0.000 0.979 215 T CB 1.355 70.247 68.868 0.041 0.000 0.967 215 T HN 0.326 nan 8.240 nan 0.000 0.441 216 K N 1.761 122.206 120.400 0.076 0.000 2.426 216 K HA 0.627 4.947 4.320 -0.001 0.000 0.251 216 K C 0.396 177.051 176.600 0.092 0.000 0.941 216 K CA -0.779 55.560 56.287 0.088 0.000 0.808 216 K CB 2.189 34.767 32.500 0.130 0.000 1.265 216 K HN 0.727 nan 8.250 nan 0.000 0.432 217 S N 0.852 116.600 115.700 0.080 0.000 2.606 217 S HA 0.037 4.507 4.470 -0.001 0.000 0.257 217 S C 1.299 175.971 174.600 0.120 0.000 1.327 217 S CA -0.342 57.905 58.200 0.078 0.000 0.984 217 S CB 0.347 63.583 63.200 0.060 0.000 0.941 217 S HN 0.542 nan 8.310 nan 0.000 0.576 218 L N 1.745 123.033 121.223 0.109 0.000 2.005 218 L HA 0.007 4.347 4.340 -0.001 0.000 0.207 218 L C 2.490 179.461 176.870 0.169 0.000 1.072 218 L CA 1.760 56.695 54.840 0.157 0.000 0.744 218 L CB -1.298 40.829 42.059 0.113 0.000 0.895 218 L HN 0.709 nan 8.230 nan 0.000 0.433 219 V N -0.053 119.926 119.914 0.109 0.000 2.277 219 V HA -0.428 3.692 4.120 -0.001 0.000 0.253 219 V C 2.590 178.732 176.094 0.080 0.000 1.067 219 V CA 2.438 64.788 62.300 0.084 0.000 1.047 219 V CB -1.102 30.755 31.823 0.055 0.000 0.649 219 V HN 0.598 nan 8.190 nan 0.000 0.447 220 Q N -1.556 118.293 119.800 0.081 0.000 2.119 220 Q HA -0.203 4.137 4.340 -0.001 0.000 0.201 220 Q C 2.184 178.221 176.000 0.063 0.000 0.972 220 Q CA 2.031 57.869 55.803 0.057 0.000 0.847 220 Q CB -0.306 28.463 28.738 0.052 0.000 0.903 220 Q HN 0.820 nan 8.270 nan 0.000 0.433 221 Y N 1.231 121.535 120.300 0.008 0.000 2.145 221 Y HA -0.261 4.289 4.550 -0.001 0.000 0.286 221 Y C 1.910 177.780 175.900 -0.049 0.000 1.145 221 Y CA 1.232 59.322 58.100 -0.017 0.000 1.148 221 Y CB -0.053 38.426 38.460 0.032 0.000 0.981 221 Y HN 0.017 nan 8.280 nan 0.000 0.507 222 I N 0.921 121.569 120.570 0.129 0.000 2.208 222 I HA -0.269 3.900 4.170 -0.001 0.000 0.245 222 I C 2.193 178.253 176.117 -0.094 0.000 1.097 222 I CA 1.404 62.715 61.300 0.017 0.000 1.363 222 I CB -1.466 36.602 38.000 0.113 0.000 1.051 222 I HN 0.335 nan 8.210 nan 0.000 0.413 223 E N 0.550 120.714 120.200 -0.061 0.000 2.267 223 E HA -0.131 4.219 4.350 -0.001 0.000 0.197 223 E C 2.148 178.676 176.600 -0.120 0.000 0.998 223 E CA 0.712 57.071 56.400 -0.068 0.000 0.830 223 E CB -0.194 29.484 29.700 -0.037 0.000 0.751 223 E HN 0.512 nan 8.360 nan 0.000 0.491 224 L N 0.424 121.520 121.223 -0.211 0.000 2.591 224 L HA 0.104 4.443 4.340 -0.001 0.000 0.228 224 L C 0.772 177.487 176.870 -0.258 0.000 1.133 224 L CA -0.105 54.587 54.840 -0.245 0.000 0.880 224 L CB -0.079 41.782 42.059 -0.329 0.000 1.033 224 L HN -0.082 nan 8.230 nan 0.000 0.450 225 L N 0.390 121.469 121.223 -0.241 0.000 2.375 225 L HA 0.220 4.560 4.340 -0.001 0.000 0.271 225 L C -0.884 175.934 176.870 -0.086 0.000 1.107 225 L CA -1.759 52.975 54.840 -0.177 0.000 0.806 225 L CB 0.249 42.214 42.059 -0.157 0.000 1.146 225 L HN -0.177 nan 8.230 nan 0.000 0.447 226 P HA -0.205 nan 4.420 nan 0.000 0.213 226 P C 0.398 177.692 177.300 -0.010 0.000 1.176 226 P CA 1.549 64.637 63.100 -0.020 0.000 0.919 226 P CB -0.246 31.456 31.700 0.003 0.000 0.791 227 N N -0.231 118.475 118.700 0.010 0.000 2.484 227 N HA 0.158 4.898 4.740 -0.001 0.000 0.245 227 N C 1.131 176.645 175.510 0.007 0.000 1.184 227 N CA 0.279 53.340 53.050 0.017 0.000 0.884 227 N CB -0.711 37.802 38.487 0.043 0.000 1.182 227 N HN 0.066 nan 8.380 nan 0.000 0.493 228 A N 0.936 123.746 122.820 -0.016 0.000 1.869 228 A HA -0.207 4.113 4.320 -0.001 0.000 0.218 228 A C 1.209 178.792 177.584 -0.002 0.000 1.203 228 A CA 1.493 53.515 52.037 -0.025 0.000 0.638 228 A CB -0.498 18.475 19.000 -0.044 0.000 0.831 228 A HN 0.399 nan 8.150 nan 0.000 0.450 229 D N 1.365 121.766 120.400 0.001 0.000 3.032 229 D HA 0.207 4.846 4.640 -0.001 0.000 0.241 229 D C -1.050 175.260 176.300 0.017 0.000 1.196 229 D CA 0.223 54.229 54.000 0.010 0.000 0.927 229 D CB -0.193 40.610 40.800 0.006 0.000 1.129 229 D HN 0.315 nan 8.370 nan 0.000 0.458 230 D N 1.301 121.716 120.400 0.024 0.000 2.438 230 D HA 0.218 4.858 4.640 -0.001 0.000 0.257 230 D C 0.543 176.866 176.300 0.038 0.000 1.148 230 D CA -0.405 53.614 54.000 0.031 0.000 0.902 230 D CB 0.726 41.547 40.800 0.036 0.000 1.062 230 D HN 0.277 nan 8.370 nan 0.000 0.518 231 I N -2.382 118.211 120.570 0.037 0.000 2.502 231 I HA 0.540 4.710 4.170 -0.001 0.000 0.276 231 I C 0.426 176.568 176.117 0.042 0.000 1.057 231 I CA -1.181 60.145 61.300 0.044 0.000 1.163 231 I CB 0.904 38.928 38.000 0.041 0.000 1.288 231 I HN 0.028 nan 8.210 nan 0.000 0.479 232 R N 3.051 123.578 120.500 0.045 0.000 3.266 232 R HA 0.239 4.578 4.340 -0.001 0.000 0.224 232 R C -0.642 175.685 176.300 0.044 0.000 1.525 232 R CA -0.286 55.837 56.100 0.039 0.000 1.364 232 R CB -0.471 29.850 30.300 0.034 0.000 1.276 232 R HN 0.746 nan 8.270 nan 0.000 0.660 233 D N 1.261 121.687 120.400 0.044 0.000 2.233 233 D HA 0.208 4.847 4.640 -0.001 0.000 0.240 233 D C 0.184 176.506 176.300 0.037 0.000 1.074 233 D CA 0.168 54.198 54.000 0.050 0.000 0.838 233 D CB 1.527 42.360 40.800 0.056 0.000 1.124 233 D HN 0.505 nan 8.370 nan 0.000 0.475 254 T N 5.299 119.145 114.554 -1.180 0.000 3.097 254 T HA 0.470 4.819 4.350 -0.001 0.000 0.332 254 T C -1.146 173.008 174.700 -0.910 0.000 1.269 254 T CA -0.562 61.065 62.100 -0.788 0.000 1.076 254 T CB 1.159 69.825 68.868 -0.337 0.000 1.209 254 T HN 0.415 nan 8.240 nan 0.000 0.474 255 F N 2.455 122.075 119.950 -0.550 0.000 2.380 255 F HA 0.469 4.996 4.527 -0.001 0.000 0.325 255 F C -1.889 173.720 175.800 -0.317 0.000 1.136 255 F CA -2.027 55.725 58.000 -0.414 0.000 1.171 255 F CB 0.641 39.438 39.000 -0.339 0.000 1.230 255 F HN 0.264 nan 8.300 nan 0.000 0.554 256 P HA 0.072 nan 4.420 nan 0.000 0.276 256 P C -0.856 176.367 177.300 -0.129 0.000 1.243 256 P CA -0.311 62.752 63.100 -0.062 0.000 0.768 256 P CB 0.474 32.169 31.700 -0.009 0.000 0.856 257 E N 2.656 122.796 120.200 -0.100 0.000 2.467 257 E HA -0.065 4.284 4.350 -0.001 0.000 0.264 257 E C 0.010 176.570 176.600 -0.067 0.000 1.020 257 E CA 0.652 56.971 56.400 -0.134 0.000 0.945 257 E CB 0.133 29.822 29.700 -0.018 0.000 0.942 257 E HN 0.439 nan 8.360 nan 0.000 0.449 258 Y N 0.728 121.061 120.300 0.054 0.000 2.426 258 Y HA -0.040 4.510 4.550 -0.000 0.000 0.344 258 Y C 0.887 176.971 175.900 0.307 0.000 1.256 258 Y CA -0.392 57.763 58.100 0.091 0.000 1.451 258 Y CB 0.256 38.666 38.460 -0.083 0.000 1.342 258 Y HN 0.362 nan 8.280 nan 0.000 0.600 259 Y N 0.431 120.925 120.300 0.323 0.000 2.426 259 Y HA 0.029 4.578 4.550 -0.001 0.000 0.344 259 Y C 0.834 176.892 175.900 0.264 0.000 1.256 259 Y CA -1.491 56.744 58.100 0.225 0.000 1.451 259 Y CB 0.260 38.824 38.460 0.174 0.000 1.342 259 Y HN 0.613 nan 8.280 nan 0.000 0.600 260 S N -0.421 115.446 115.700 0.278 0.000 2.589 260 S HA 0.033 4.502 4.470 -0.001 0.000 0.265 260 S C 1.179 175.877 174.600 0.163 0.000 1.342 260 S CA -0.088 58.234 58.200 0.203 0.000 1.005 260 S CB 0.726 63.984 63.200 0.097 0.000 0.909 260 S HN 0.692 nan 8.310 nan 0.000 0.555 261 T N 2.367 116.988 114.554 0.112 0.000 2.565 261 T HA -0.237 4.112 4.350 -0.001 0.000 0.265 261 T C 2.182 176.865 174.700 -0.028 0.000 1.082 261 T CA 2.348 64.440 62.100 -0.014 0.000 1.173 261 T CB -1.241 67.637 68.868 0.016 0.000 0.864 261 T HN 0.909 nan 8.240 nan 0.000 0.425 262 A N 1.085 123.905 122.820 0.000 0.000 1.940 262 A HA -0.175 4.145 4.320 -0.001 0.000 0.219 262 A C 2.270 179.848 177.584 -0.010 0.000 1.176 262 A CA 2.248 54.279 52.037 -0.010 0.000 0.631 262 A CB -0.651 18.347 19.000 -0.004 0.000 0.814 262 A HN 0.500 nan 8.150 nan 0.000 0.446 263 R N -0.625 119.879 120.500 0.006 0.000 2.070 263 R HA -0.087 4.253 4.340 -0.001 0.000 0.233 263 R C 2.020 178.353 176.300 0.055 0.000 1.137 263 R CA 1.771 57.877 56.100 0.010 0.000 0.945 263 R CB -0.531 29.756 30.300 -0.021 0.000 0.845 263 R HN 0.265 nan 8.270 nan 0.000 0.430 264 V N 1.189 121.143 119.914 0.065 0.000 2.252 264 V HA -0.341 3.778 4.120 -0.001 0.000 0.249 264 V C 2.535 178.599 176.094 -0.050 0.000 1.056 264 V CA 1.921 64.225 62.300 0.006 0.000 1.022 264 V CB -0.367 31.325 31.823 -0.218 0.000 0.641 264 V HN 0.427 nan 8.190 nan 0.000 0.445 265 M N -0.221 119.334 119.600 -0.074 0.000 2.117 265 M HA -0.122 4.357 4.480 -0.001 0.000 0.262 265 M C 2.297 178.570 176.300 -0.046 0.000 1.065 265 M CA 2.077 57.335 55.300 -0.070 0.000 1.114 265 M CB -1.700 30.861 32.600 -0.065 0.000 1.361 265 M HN 0.495 nan 8.290 nan 0.000 0.408 266 G N 0.055 108.838 108.800 -0.029 0.000 2.545 266 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.217 266 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.217 266 G C 1.516 176.402 174.900 -0.024 0.000 1.218 266 G CA 1.243 46.329 45.100 -0.022 0.000 0.787 266 G HN 0.546 nan 8.290 nan 0.000 0.571 267 G N 0.413 109.210 108.800 -0.005 0.000 2.450 267 G HA2 -0.141 3.818 3.960 -0.001 0.000 0.220 267 G HA3 -0.141 3.818 3.960 -0.001 0.000 0.220 267 G C 1.814 176.670 174.900 -0.073 0.000 1.130 267 G CA 0.774 45.869 45.100 -0.009 0.000 0.760 267 G HN 0.421 nan 8.290 nan 0.000 0.557 268 L N -0.302 120.872 121.223 -0.080 0.000 2.027 268 L HA -0.006 4.333 4.340 -0.001 0.000 0.206 268 L C 2.849 179.657 176.870 -0.103 0.000 1.074 268 L CA 1.457 56.229 54.840 -0.114 0.000 0.745 268 L CB -0.358 41.643 42.059 -0.097 0.000 0.898 268 L HN 0.212 nan 8.230 nan 0.000 0.433 269 K N 0.247 120.604 120.400 -0.071 0.000 2.063 269 K HA -0.174 4.145 4.320 -0.001 0.000 0.208 269 K C 1.480 178.045 176.600 -0.058 0.000 1.048 269 K CA 1.518 57.771 56.287 -0.057 0.000 0.928 269 K CB 0.050 32.525 32.500 -0.041 0.000 0.713 269 K HN 0.309 nan 8.250 nan 0.000 0.442 270 N N -0.264 118.400 118.700 -0.060 0.000 2.461 270 N HA 0.001 4.740 4.740 -0.001 0.000 0.188 270 N C 0.868 176.331 175.510 -0.078 0.000 1.134 270 N CA 1.027 54.045 53.050 -0.052 0.000 0.878 270 N CB 0.662 39.128 38.487 -0.034 0.000 0.972 270 N HN 0.460 nan 8.380 nan 0.000 0.456 271 G N 0.131 108.851 108.800 -0.133 0.000 2.196 271 G HA2 -0.305 3.655 3.960 -0.001 0.000 0.268 271 G HA3 -0.305 3.655 3.960 -0.001 0.000 0.268 271 G C 0.841 175.536 174.900 -0.342 0.000 0.975 271 G CA 0.554 45.522 45.100 -0.219 0.000 0.648 271 G HN 0.322 nan 8.290 nan 0.000 0.538 272 V N 0.159 119.944 119.914 -0.215 0.000 3.461 272 V HA 0.384 4.504 4.120 -0.001 0.000 0.267 272 V C 1.159 177.156 176.094 -0.161 0.000 1.186 272 V CA 1.292 63.519 62.300 -0.121 0.000 1.154 272 V CB -0.095 31.728 31.823 0.001 0.000 0.802 272 V HN 0.404 nan 8.190 nan 0.000 0.474 273 L N -1.296 119.718 121.223 -0.349 0.000 2.371 273 L HA 0.562 4.902 4.340 -0.001 0.000 0.262 273 L C -1.513 175.098 176.870 -0.432 0.000 1.006 273 L CA -0.876 53.835 54.840 -0.215 0.000 0.818 273 L CB 2.397 44.420 42.059 -0.060 0.000 1.354 273 L HN 0.013 nan 8.230 nan 0.000 0.415 274 Y N 0.049 120.362 120.300 0.021 0.000 2.421 274 Y HA 0.397 4.946 4.550 -0.001 0.000 0.339 274 Y C -0.274 175.628 175.900 0.003 0.000 0.996 274 Y CA -0.778 57.335 58.100 0.021 0.000 1.046 274 Y CB 1.852 40.342 38.460 0.050 0.000 1.226 274 Y HN 0.445 nan 8.280 nan 0.000 0.445 275 Q N 1.282 121.161 119.800 0.132 0.000 2.293 275 Q HA 0.672 5.011 4.340 -0.001 0.000 0.251 275 Q C 0.019 176.066 176.000 0.079 0.000 0.930 275 Q CA -0.150 55.696 55.803 0.072 0.000 0.893 275 Q CB 1.395 30.153 28.738 0.033 0.000 1.215 275 Q HN 0.966 nan 8.270 nan 0.000 0.425 276 G N 1.628 110.457 108.800 0.048 0.000 2.601 276 G HA2 0.234 4.193 3.960 -0.001 0.000 0.291 276 G HA3 0.234 4.193 3.960 -0.001 0.000 0.291 276 G C -1.573 173.341 174.900 0.022 0.000 1.456 276 G CA -0.824 44.298 45.100 0.036 0.000 0.804 276 G HN 0.583 nan 8.290 nan 0.000 0.499 277 N N 0.614 119.327 118.700 0.022 0.000 2.469 277 N HA 0.243 4.983 4.740 -0.001 0.000 0.253 277 N C -0.790 174.734 175.510 0.023 0.000 0.970 277 N CA -0.394 52.671 53.050 0.026 0.000 0.940 277 N CB 2.756 41.263 38.487 0.034 0.000 1.128 277 N HN 0.430 nan 8.380 nan 0.000 0.503 278 I N 2.399 122.985 120.570 0.026 0.000 2.421 278 I HA -0.047 4.122 4.170 -0.001 0.000 0.291 278 I C 0.026 176.167 176.117 0.039 0.000 1.089 278 I CA -0.130 61.183 61.300 0.021 0.000 1.354 278 I CB 0.297 38.309 38.000 0.020 0.000 1.413 278 I HN 0.351 nan 8.210 nan 0.000 0.513 279 Q N 7.665 127.482 119.800 0.028 0.000 2.331 279 Q HA 0.343 4.682 4.340 -0.001 0.000 0.257 279 Q C -0.866 175.146 176.000 0.020 0.000 0.957 279 Q CA -0.454 55.373 55.803 0.040 0.000 0.923 279 Q CB 0.865 29.628 28.738 0.040 0.000 1.212 279 Q HN 0.517 nan 8.270 nan 0.000 0.443 280 I N 3.074 123.660 120.570 0.027 0.000 2.529 280 I HA 0.071 4.241 4.170 -0.001 0.000 0.284 280 I C 0.561 176.675 176.117 -0.004 0.000 1.082 280 I CA 0.267 61.570 61.300 0.006 0.000 1.406 280 I CB 0.687 38.696 38.000 0.016 0.000 1.405 280 I HN 0.852 nan 8.210 nan 0.000 0.548 281 S N 4.855 120.547 115.700 -0.013 0.000 2.573 281 S HA 0.012 4.481 4.470 -0.001 0.000 0.277 281 S C 0.971 175.539 174.600 -0.054 0.000 1.346 281 S CA -0.244 57.950 58.200 -0.011 0.000 1.034 281 S CB 0.475 63.686 63.200 0.018 0.000 0.879 281 S HN 0.707 nan 8.310 nan 0.000 0.528 282 E N 1.233 121.354 120.200 -0.131 0.000 2.502 282 E HA 0.019 4.369 4.350 -0.001 0.000 0.194 282 E C 0.186 176.409 176.600 -0.629 0.000 1.062 282 E CA 0.536 56.712 56.400 -0.373 0.000 0.867 282 E CB -0.342 29.062 29.700 -0.494 0.000 0.888 282 E HN 0.889 nan 8.360 nan 0.000 0.510 283 Y N -0.512 119.776 120.300 -0.020 0.000 2.610 283 Y HA 0.296 4.845 4.550 -0.001 0.000 0.254 283 Y C 0.220 176.030 175.900 -0.149 0.000 1.110 283 Y CA -0.878 57.147 58.100 -0.125 0.000 1.238 283 Y CB 1.136 39.442 38.460 -0.257 0.000 1.322 283 Y HN -0.001 nan 8.280 nan 0.000 0.547 284 N N 0.878 119.602 118.700 0.040 0.000 2.549 284 N HA 0.067 4.807 4.740 -0.001 0.000 0.281 284 N C 0.054 175.595 175.510 0.052 0.000 1.084 284 N CA -0.597 52.471 53.050 0.029 0.000 0.862 284 N CB 0.582 39.050 38.487 -0.030 0.000 1.333 284 N HN 0.287 nan 8.380 nan 0.000 0.523 285 F N 2.675 122.558 119.950 -0.112 0.000 2.502 285 F HA 0.226 4.752 4.527 -0.001 0.000 0.298 285 F C 0.572 176.300 175.800 -0.120 0.000 1.111 285 F CA 0.340 58.274 58.000 -0.110 0.000 1.445 285 F CB 0.265 39.201 39.000 -0.107 0.000 1.081 285 F HN 0.314 nan 8.300 nan 0.000 0.558 286 L N 0.744 121.528 121.223 -0.731 0.000 2.653 286 L HA 0.241 4.580 4.340 -0.001 0.000 0.231 286 L C 0.028 176.698 176.870 -0.333 0.000 1.153 286 L CA 0.061 54.470 54.840 -0.717 0.000 0.933 286 L CB -0.157 41.368 42.059 -0.889 0.000 1.175 286 L HN 0.242 nan 8.230 nan 0.000 0.473 287 E N -0.158 119.919 120.200 -0.206 0.000 2.210 287 E HA 0.584 4.933 4.350 -0.001 0.000 0.266 287 E C -0.578 175.972 176.600 -0.084 0.000 0.883 287 E CA -0.584 55.746 56.400 -0.117 0.000 0.761 287 E CB 1.914 31.575 29.700 -0.065 0.000 1.156 287 E HN 0.043 nan 8.360 nan 0.000 0.412 288 G N 1.378 110.133 108.800 -0.075 0.000 2.642 288 G HA2 0.539 4.498 3.960 -0.001 0.000 0.293 288 G HA3 0.539 4.498 3.960 -0.001 0.000 0.293 288 G C -1.194 173.669 174.900 -0.061 0.000 1.341 288 G CA -0.468 44.599 45.100 -0.055 0.000 0.916 288 G HN 0.547 nan 8.290 nan 0.000 0.474 289 S N -1.325 114.344 115.700 -0.051 0.000 2.632 289 S HA 0.829 5.299 4.470 -0.001 0.000 0.289 289 S C -1.392 173.173 174.600 -0.059 0.000 1.115 289 S CA -0.745 57.412 58.200 -0.072 0.000 0.889 289 S CB 2.270 65.430 63.200 -0.067 0.000 1.116 289 S HN 0.996 nan 8.310 nan 0.000 0.486 290 V N 1.942 121.807 119.914 -0.082 0.000 2.668 290 V HA 0.571 4.690 4.120 -0.001 0.000 0.304 290 V C -0.034 176.020 176.094 -0.067 0.000 1.071 290 V CA -0.636 61.629 62.300 -0.059 0.000 0.894 290 V CB 1.899 33.688 31.823 -0.056 0.000 1.008 290 V HN 1.076 nan 8.190 nan 0.000 0.425 291 S N 6.344 122.024 115.700 -0.033 0.000 2.548 291 S HA 0.705 5.175 4.470 -0.001 0.000 0.277 291 S C -0.784 173.815 174.600 -0.001 0.000 1.315 291 S CA -0.164 58.023 58.200 -0.022 0.000 1.050 291 S CB 0.121 63.316 63.200 -0.009 0.000 0.918 291 S HN 0.550 nan 8.310 nan 0.000 0.497 292 L N 5.662 126.895 121.223 0.018 0.000 2.431 292 L HA 0.386 4.725 4.340 -0.001 0.000 0.266 292 L C -1.832 175.079 176.870 0.068 0.000 0.978 292 L CA -2.032 52.840 54.840 0.054 0.000 0.822 292 L CB 2.309 44.402 42.059 0.056 0.000 1.310 292 L HN 0.460 nan 8.230 nan 0.000 0.409 293 P HA -0.107 nan 4.420 nan 0.000 0.215 293 P C 1.445 178.736 177.300 -0.016 0.000 1.157 293 P CA 0.910 64.022 63.100 0.021 0.000 0.863 293 P CB 0.107 31.820 31.700 0.022 0.000 0.787 294 R N -1.035 119.429 120.500 -0.059 0.000 2.133 294 R HA -0.133 4.206 4.340 -0.001 0.000 0.247 294 R C 0.035 176.120 176.300 -0.359 0.000 1.151 294 R CA 1.178 57.128 56.100 -0.250 0.000 0.971 294 R CB -0.513 29.539 30.300 -0.413 0.000 0.866 294 R HN 0.174 nan 8.270 nan 0.000 0.447 295 F N -0.619 119.286 119.950 -0.075 0.000 2.443 295 F HA 0.121 4.648 4.527 -0.001 0.000 0.335 295 F C 1.544 177.302 175.800 -0.071 0.000 1.104 295 F CA -0.437 57.510 58.000 -0.088 0.000 1.013 295 F CB 1.970 40.876 39.000 -0.156 0.000 1.136 295 F HN -0.014 nan 8.300 nan 0.000 0.470 296 S N 2.046 117.835 115.700 0.148 0.000 2.355 296 S HA -0.002 4.467 4.470 -0.001 0.000 0.222 296 S C 0.615 175.241 174.600 0.042 0.000 1.031 296 S CA 0.605 58.847 58.200 0.070 0.000 0.993 296 S CB -0.219 63.015 63.200 0.057 0.000 0.859 296 S HN 0.501 nan 8.310 nan 0.000 0.453 297 K N 1.961 122.377 120.400 0.028 0.000 2.106 297 K HA 0.476 4.795 4.320 -0.001 0.000 0.246 297 K C -2.963 173.588 176.600 -0.081 0.000 0.987 297 K CA -2.398 53.869 56.287 -0.034 0.000 0.904 297 K CB 0.114 32.581 32.500 -0.055 0.000 1.071 297 K HN 0.103 nan 8.250 nan 0.000 0.453 298 P HA -0.036 nan 4.420 nan 0.000 0.268 298 P C -0.556 176.604 177.300 -0.233 0.000 1.204 298 P CA -0.259 62.764 63.100 -0.128 0.000 0.768 298 P CB 0.527 32.171 31.700 -0.093 0.000 0.842 299 V N 5.985 125.719 119.914 -0.300 0.000 2.455 299 V HA 0.144 4.264 4.120 -0.001 0.000 0.273 299 V C -0.160 175.746 176.094 -0.313 0.000 1.045 299 V CA -0.258 61.768 62.300 -0.455 0.000 0.976 299 V CB -0.419 31.020 31.823 -0.639 0.000 0.993 299 V HN 0.305 nan 8.190 nan 0.000 0.475 300 L N 7.292 128.324 121.223 -0.319 0.000 2.436 300 L HA 0.482 4.822 4.340 -0.001 0.000 0.265 300 L C -0.169 176.594 176.870 -0.178 0.000 1.168 300 L CA -0.182 54.534 54.840 -0.207 0.000 0.815 300 L CB 1.073 43.025 42.059 -0.178 0.000 1.109 300 L HN 0.541 nan 8.230 nan 0.000 0.462 301 I N 2.930 123.428 120.570 -0.120 0.000 2.468 301 I HA 0.328 4.498 4.170 -0.001 0.000 0.284 301 I C -0.976 175.093 176.117 -0.079 0.000 1.038 301 I CA -0.510 60.736 61.300 -0.091 0.000 1.083 301 I CB 1.936 39.890 38.000 -0.075 0.000 1.223 301 I HN 0.160 nan 8.210 nan 0.000 0.443 302 V N 4.950 124.825 119.914 -0.066 0.000 2.444 302 V HA 0.925 5.045 4.120 -0.001 0.000 0.294 302 V C 0.391 176.447 176.094 -0.063 0.000 1.022 302 V CA -0.393 61.865 62.300 -0.069 0.000 0.850 302 V CB 1.297 33.090 31.823 -0.050 0.000 0.992 302 V HN 1.064 nan 8.190 nan 0.000 0.426 303 G N 3.724 112.459 108.800 -0.108 0.000 2.629 303 G HA2 -0.123 3.837 3.960 -0.001 0.000 0.686 303 G HA3 -0.123 3.837 3.960 -0.001 0.000 0.686 303 G C 0.097 174.956 174.900 -0.068 0.000 1.232 303 G CA 0.015 45.054 45.100 -0.102 0.000 0.803 303 G HN 0.554 nan 8.290 nan 0.000 0.638 304 Q N -0.089 119.687 119.800 -0.040 0.000 2.082 304 Q HA -0.222 4.118 4.340 -0.001 0.000 0.211 304 Q C 2.620 178.767 176.000 0.246 0.000 1.002 304 Q CA 2.120 57.992 55.803 0.116 0.000 0.868 304 Q CB -0.142 28.689 28.738 0.156 0.000 0.931 304 Q HN 0.639 nan 8.270 nan 0.000 0.414 305 K N 0.250 120.733 120.400 0.137 0.000 2.001 305 K HA -0.075 4.245 4.320 -0.001 0.000 0.208 305 K C 1.751 178.425 176.600 0.124 0.000 1.048 305 K CA 0.978 57.340 56.287 0.124 0.000 0.932 305 K CB -0.249 32.264 32.500 0.021 0.000 0.715 305 K HN 0.186 nan 8.250 nan 0.000 0.437 306 N N 1.329 120.065 118.700 0.060 0.000 2.244 306 N HA -0.065 4.675 4.740 -0.001 0.000 0.183 306 N C 1.909 177.430 175.510 0.017 0.000 1.016 306 N CA 0.694 53.762 53.050 0.030 0.000 0.866 306 N CB -0.301 38.191 38.487 0.008 0.000 0.980 306 N HN 0.106 nan 8.380 nan 0.000 0.430 307 L N 0.307 121.538 121.223 0.014 0.000 2.265 307 L HA -0.076 4.263 4.340 -0.001 0.000 0.215 307 L C 0.224 177.071 176.870 -0.039 0.000 1.117 307 L CA 0.230 55.060 54.840 -0.017 0.000 0.782 307 L CB -0.569 41.464 42.059 -0.044 0.000 0.914 307 L HN 0.177 nan 8.230 nan 0.000 0.441 308 N N 1.354 120.054 118.700 -0.001 0.000 2.678 308 N HA -0.260 4.479 4.740 -0.001 0.000 0.268 308 N C 0.307 175.513 175.510 -0.506 0.000 1.010 308 N CA 0.717 53.666 53.050 -0.168 0.000 0.784 308 N CB -0.477 37.988 38.487 -0.037 0.000 0.905 308 N HN 0.284 nan 8.380 nan 0.000 0.552 309 R N -3.490 116.435 120.500 -0.958 0.000 4.000 309 R HA -0.222 4.117 4.340 -0.001 0.000 0.362 309 R C 0.496 176.591 176.300 -0.342 0.000 1.183 309 R CA 1.326 56.580 56.100 -1.411 0.000 1.011 309 R CB -2.076 27.142 30.300 -1.804 0.000 1.501 309 R HN 0.595 nan 8.270 nan 0.000 0.553 310 A N 0.063 122.820 122.820 -0.106 0.000 2.448 310 A HA 0.467 4.787 4.320 -0.001 0.000 0.239 310 A C -0.083 177.721 177.584 0.366 0.000 1.080 310 A CA 0.384 52.486 52.037 0.110 0.000 0.779 310 A CB 0.163 19.184 19.000 0.034 0.000 1.026 310 A HN 0.165 nan 8.150 nan 0.000 0.499 311 F N 0.147 120.201 119.950 0.174 0.000 2.522 311 F HA 0.346 4.872 4.527 -0.001 0.000 0.324 311 F C 0.649 176.538 175.800 0.148 0.000 1.077 311 F CA -0.869 57.276 58.000 0.242 0.000 0.944 311 F CB 1.434 40.659 39.000 0.374 0.000 1.175 311 F HN 0.738 nan 8.300 nan 0.000 0.468 312 N N 1.246 120.099 118.700 0.255 0.000 2.292 312 N HA 0.271 5.010 4.740 -0.001 0.000 0.258 312 N C 0.912 176.561 175.510 0.231 0.000 1.261 312 N CA 1.873 55.036 53.050 0.189 0.000 0.845 312 N CB 0.548 39.125 38.487 0.151 0.000 1.064 312 N HN 0.855 nan 8.380 nan 0.000 0.471 313 G N 2.286 111.183 108.800 0.161 0.000 2.317 313 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.227 313 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.227 313 G C -0.264 174.695 174.900 0.098 0.000 1.042 313 G CA 0.164 45.349 45.100 0.142 0.000 0.623 313 G HN 0.708 nan 8.290 nan 0.000 0.509 314 D N 2.007 122.466 120.400 0.097 0.000 2.472 314 D HA 0.368 5.007 4.640 -0.001 0.000 0.237 314 D C 0.949 177.250 176.300 0.001 0.000 1.141 314 D CA 0.443 54.453 54.000 0.017 0.000 0.875 314 D CB 0.424 41.219 40.800 -0.009 0.000 1.192 314 D HN 0.528 nan 8.370 nan 0.000 0.450 315 Q N 0.526 120.312 119.800 -0.024 0.000 2.313 315 Q HA 0.381 4.720 4.340 -0.001 0.000 0.266 315 Q C -0.634 175.349 176.000 -0.029 0.000 0.989 315 Q CA -0.056 55.738 55.803 -0.014 0.000 0.890 315 Q CB 1.306 30.037 28.738 -0.012 0.000 1.200 315 Q HN 0.177 nan 8.270 nan 0.000 0.396 316 V N 3.631 123.539 119.914 -0.010 0.000 3.007 316 V HA 0.406 4.525 4.120 -0.001 0.000 0.311 316 V C -0.858 175.243 176.094 0.012 0.000 1.120 316 V CA -0.877 61.413 62.300 -0.017 0.000 0.980 316 V CB 2.328 34.139 31.823 -0.021 0.000 1.033 316 V HN 0.617 nan 8.190 nan 0.000 0.429 317 I N 4.579 125.161 120.570 0.020 0.000 2.359 317 I HA 0.556 4.726 4.170 -0.001 0.000 0.294 317 I C 0.126 176.252 176.117 0.015 0.000 0.987 317 I CA -0.325 60.989 61.300 0.023 0.000 1.225 317 I CB 1.370 39.370 38.000 0.000 0.000 1.366 317 I HN 0.465 nan 8.210 nan 0.000 0.466 318 V N 2.703 122.654 119.914 0.062 0.000 3.019 318 V HA 0.726 4.846 4.120 -0.001 0.000 0.317 318 V C -0.539 175.633 176.094 0.130 0.000 1.094 318 V CA -0.734 61.601 62.300 0.058 0.000 1.000 318 V CB 2.420 34.266 31.823 0.038 0.000 1.060 318 V HN 0.865 nan 8.190 nan 0.000 0.443 319 E N 1.268 121.525 120.200 0.095 0.000 2.266 319 E HA 0.585 4.934 4.350 -0.001 0.000 0.268 319 E C -1.354 175.332 176.600 0.144 0.000 0.879 319 E CA -0.942 55.555 56.400 0.163 0.000 0.762 319 E CB 2.170 31.938 29.700 0.114 0.000 1.199 319 E HN 0.815 nan 8.360 nan 0.000 0.422 320 L N 4.274 125.619 121.223 0.204 0.000 2.397 320 L HA 0.280 4.620 4.340 -0.001 0.000 0.271 320 L C 0.115 177.106 176.870 0.201 0.000 1.148 320 L CA -0.434 54.505 54.840 0.166 0.000 0.825 320 L CB 0.304 42.514 42.059 0.251 0.000 1.117 320 L HN 0.451 nan 8.230 nan 0.000 0.456 321 L N 2.956 124.308 121.223 0.215 0.000 2.421 321 L HA 0.395 4.735 4.340 -0.001 0.000 0.263 321 L C -2.049 175.000 176.870 0.298 0.000 1.122 321 L CA -2.015 52.959 54.840 0.225 0.000 0.804 321 L CB 0.199 42.375 42.059 0.196 0.000 1.150 321 L HN 0.337 nan 8.230 nan 0.000 0.457 322 P HA -0.007 nan 4.420 nan 0.000 0.268 322 P C -0.073 177.128 177.300 -0.165 0.000 1.208 322 P CA -0.014 63.096 63.100 0.016 0.000 0.777 322 P CB 0.439 32.138 31.700 -0.001 0.000 0.875 323 Q N 1.396 120.874 119.800 -0.537 0.000 2.226 323 Q HA -0.171 4.168 4.340 -0.001 0.000 0.204 323 Q C 2.367 178.103 176.000 -0.440 0.000 0.975 323 Q CA 1.795 56.958 55.803 -1.067 0.000 0.866 323 Q CB -0.683 27.403 28.738 -1.087 0.000 0.915 323 Q HN 0.674 nan 8.270 nan 0.000 0.440 324 S N 1.022 116.592 115.700 -0.217 0.000 2.462 324 S HA -0.191 4.278 4.470 -0.001 0.000 0.243 324 S C 1.578 176.176 174.600 -0.003 0.000 1.003 324 S CA 1.303 59.453 58.200 -0.083 0.000 0.970 324 S CB -0.072 63.098 63.200 -0.050 0.000 0.762 324 S HN 0.215 nan 8.310 nan 0.000 0.510 325 E N -1.049 119.181 120.200 0.050 0.000 2.511 325 E HA 0.079 4.429 4.350 -0.001 0.000 0.209 325 E C -0.509 176.255 176.600 0.272 0.000 0.986 325 E CA -0.462 56.024 56.400 0.143 0.000 0.974 325 E CB -0.103 29.687 29.700 0.149 0.000 1.030 325 E HN 0.665 nan 8.360 nan 0.000 0.490 326 W N 2.470 123.763 121.300 -0.012 0.000 2.148 326 W HA 0.162 4.822 4.660 -0.001 0.000 0.347 326 W C 0.796 177.305 176.519 -0.017 0.000 1.288 326 W CA -0.100 57.229 57.345 -0.026 0.000 1.252 326 W CB 0.208 29.653 29.460 -0.025 0.000 1.156 326 W HN -0.278 nan 8.180 nan 0.000 0.580 327 K N 1.393 121.887 120.400 0.156 0.000 2.469 327 K HA 0.706 5.026 4.320 -0.001 0.000 0.254 327 K C -0.412 176.212 176.600 0.040 0.000 0.939 327 K CA -1.049 55.286 56.287 0.081 0.000 0.812 327 K CB 2.361 34.887 32.500 0.043 0.000 1.301 327 K HN 0.407 nan 8.250 nan 0.000 0.433 328 A N 2.329 125.181 122.820 0.052 0.000 2.313 328 A HA 0.466 4.786 4.320 -0.001 0.000 0.261 328 A C -2.326 175.280 177.584 0.038 0.000 1.090 328 A CA -1.201 50.861 52.037 0.041 0.000 0.807 328 A CB -0.473 18.563 19.000 0.059 0.000 1.055 328 A HN 0.377 nan 8.150 nan 0.000 0.492 329 P HA 0.055 nan 4.420 nan 0.000 0.262 329 P C 0.158 177.515 177.300 0.096 0.000 1.182 329 P CA 0.297 63.432 63.100 0.058 0.000 0.761 329 P CB 0.448 32.189 31.700 0.069 0.000 0.795 330 S N 2.429 118.187 115.700 0.096 0.000 2.559 330 S HA -0.002 4.468 4.470 -0.001 0.000 0.282 330 S C 0.975 175.698 174.600 0.205 0.000 1.336 330 S CA 0.197 58.467 58.200 0.115 0.000 1.037 330 S CB -0.113 63.130 63.200 0.072 0.000 0.853 330 S HN 0.354 nan 8.310 nan 0.000 0.523 331 S N 2.467 118.285 115.700 0.197 0.000 2.568 331 S HA 0.298 4.768 4.470 -0.001 0.000 0.232 331 S C 0.171 174.876 174.600 0.176 0.000 0.975 331 S CA -0.549 57.804 58.200 0.254 0.000 0.949 331 S CB -0.659 62.724 63.200 0.305 0.000 0.829 331 S HN 0.694 nan 8.310 nan 0.000 0.479 332 I N -0.881 119.742 120.570 0.089 0.000 2.646 332 I HA 0.795 4.964 4.170 -0.001 0.000 0.299 332 I C -0.302 175.663 176.117 -0.252 0.000 1.036 332 I CA -1.367 59.884 61.300 -0.082 0.000 1.074 332 I CB 1.882 39.846 38.000 -0.061 0.000 1.258 332 I HN -0.111 nan 8.210 nan 0.000 0.430 333 V N 3.927 123.587 119.914 -0.425 0.000 2.716 333 V HA 0.755 4.875 4.120 -0.001 0.000 0.304 333 V C -0.525 175.479 176.094 -0.151 0.000 1.053 333 V CA -0.551 61.499 62.300 -0.417 0.000 0.984 333 V CB 1.501 32.970 31.823 -0.589 0.000 1.021 333 V HN 0.842 nan 8.190 nan 0.000 0.467 334 L N 2.785 123.989 121.223 -0.032 0.000 2.545 334 L HA 0.615 4.955 4.340 -0.001 0.000 0.258 334 L C -1.656 175.305 176.870 0.153 0.000 0.942 334 L CA -0.457 54.446 54.840 0.104 0.000 0.855 334 L CB 2.523 44.673 42.059 0.152 0.000 1.374 334 L HN 1.100 nan 8.230 nan 0.000 0.411 335 D N -1.134 119.283 120.400 0.027 0.000 2.636 335 D HA 0.350 4.990 4.640 -0.001 0.000 0.275 335 D C 0.627 176.429 176.300 -0.829 0.000 1.130 335 D CA -0.094 53.665 54.000 -0.401 0.000 1.031 335 D CB 1.216 41.882 40.800 -0.223 0.000 1.451 335 D HN 0.343 nan 8.370 nan 0.000 0.505 336 S N -0.898 114.102 115.700 -1.165 0.000 2.399 336 S HA -0.227 4.243 4.470 -0.001 0.000 0.231 336 S C 1.483 175.823 174.600 -0.433 0.000 1.022 336 S CA 1.149 58.865 58.200 -0.807 0.000 0.983 336 S CB -0.589 62.250 63.200 -0.602 0.000 0.803 336 S HN 0.601 nan 8.310 nan 0.000 0.480 337 E N 0.641 120.560 120.200 -0.469 0.000 2.268 337 E HA -0.112 4.238 4.350 -0.001 0.000 0.195 337 E C 0.588 176.844 176.600 -0.572 0.000 0.995 337 E CA 0.864 56.940 56.400 -0.539 0.000 0.836 337 E CB 0.005 29.303 29.700 -0.670 0.000 0.763 337 E HN 0.820 nan 8.360 nan 0.000 0.491 338 H N -2.159 116.846 119.070 -0.107 0.000 2.662 338 H HA 0.183 4.739 4.556 -0.001 0.000 0.268 338 H C -1.095 174.288 175.328 0.091 0.000 1.152 338 H CA -0.563 55.467 56.048 -0.031 0.000 1.072 338 H CB 0.502 30.246 29.762 -0.030 0.000 1.660 338 H HN -0.045 nan 8.280 nan 0.000 0.584 339 F N 1.357 121.313 119.950 0.010 0.000 2.529 339 F HA 0.284 4.810 4.527 -0.001 0.000 0.320 339 F C -0.490 175.337 175.800 0.044 0.000 1.118 339 F CA -1.320 56.731 58.000 0.086 0.000 0.915 339 F CB 1.227 40.388 39.000 0.268 0.000 1.161 339 F HN 0.001 nan 8.300 nan 0.000 0.445 340 D N 3.335 123.318 120.400 -0.696 0.000 2.697 340 D HA -0.161 4.478 4.640 -0.001 0.000 0.235 340 D C 1.229 177.389 176.300 -0.234 0.000 1.167 340 D CA 1.253 54.949 54.000 -0.506 0.000 0.656 340 D CB -1.069 39.419 40.800 -0.520 0.000 1.025 340 D HN 0.429 nan 8.370 nan 0.000 0.419 341 V N -2.671 117.134 119.914 -0.181 0.000 3.141 341 V HA -0.092 4.028 4.120 -0.001 0.000 0.265 341 V C 1.656 177.676 176.094 -0.123 0.000 1.126 341 V CA 1.159 63.367 62.300 -0.153 0.000 1.141 341 V CB 0.017 31.781 31.823 -0.098 0.000 0.743 341 V HN 0.128 nan 8.190 nan 0.000 0.492 342 N N 0.543 119.184 118.700 -0.098 0.000 2.412 342 N HA 0.046 4.786 4.740 -0.001 0.000 0.184 342 N C 0.074 175.585 175.510 0.003 0.000 1.101 342 N CA 0.358 53.381 53.050 -0.044 0.000 0.881 342 N CB -0.290 38.172 38.487 -0.043 0.000 0.969 342 N HN 0.570 nan 8.380 nan 0.000 0.459 343 D N 1.283 121.678 120.400 -0.009 0.000 2.423 343 D HA 0.055 4.695 4.640 -0.001 0.000 0.238 343 D C 0.280 176.717 176.300 0.228 0.000 1.142 343 D CA 0.425 54.487 54.000 0.104 0.000 0.884 343 D CB 0.440 41.345 40.800 0.176 0.000 1.199 343 D HN 0.010 nan 8.370 nan 0.000 0.438 344 N N 2.064 120.925 118.700 0.268 0.000 2.509 344 N HA 0.353 5.093 4.740 -0.001 0.000 0.287 344 N C -2.379 173.272 175.510 0.234 0.000 1.121 344 N CA -1.166 52.044 53.050 0.267 0.000 0.977 344 N CB 0.967 39.532 38.487 0.131 0.000 1.167 344 N HN 0.179 nan 8.380 nan 0.000 0.476 345 P HA 0.395 nan 4.420 nan 0.000 0.278 345 P C -1.066 176.095 177.300 -0.232 0.000 1.258 345 P CA -0.178 62.556 63.100 -0.610 0.000 0.811 345 P CB 1.071 31.910 31.700 -1.436 0.000 1.063 346 D N 0.022 120.331 120.400 -0.151 0.000 2.886 346 D HA 0.416 5.055 4.640 -0.001 0.000 0.216 346 D C 0.330 176.586 176.300 -0.074 0.000 1.256 346 D CA -0.229 53.742 54.000 -0.048 0.000 0.844 346 D CB 1.649 42.495 40.800 0.076 0.000 1.669 346 D HN 0.201 nan 8.370 nan 0.000 0.513 347 I N 0.543 121.077 120.570 -0.059 0.000 3.621 347 I HA 0.682 4.851 4.170 -0.001 0.000 0.271 347 I C 0.573 176.696 176.117 0.011 0.000 0.643 347 I CA -0.424 60.834 61.300 -0.071 0.000 2.930 347 I CB 0.127 38.060 38.000 -0.111 0.000 1.514 347 I HN 0.510 nan 8.210 nan 0.000 0.526 362 T N -0.206 114.373 114.554 0.042 0.000 2.769 362 T HA 0.393 4.742 4.350 -0.001 0.000 0.293 362 T C 0.723 175.439 174.700 0.027 0.000 0.931 362 T CA 0.107 62.227 62.100 0.033 0.000 1.139 362 T CB 0.141 69.024 68.868 0.024 0.000 0.881 362 T HN 0.510 nan 8.240 nan 0.000 0.532 363 T N 3.214 117.780 114.554 0.020 0.000 2.932 363 T HA 0.294 4.644 4.350 -0.001 0.000 0.312 363 T C 0.312 175.004 174.700 -0.012 0.000 1.071 363 T CA -0.442 61.658 62.100 -0.001 0.000 1.128 363 T CB 0.417 69.267 68.868 -0.030 0.000 0.984 363 T HN 0.589 nan 8.240 nan 0.000 0.549 364 V N 4.941 124.842 119.914 -0.022 0.000 2.334 364 V HA 0.324 4.444 4.120 -0.001 0.000 0.281 364 V C -0.009 176.051 176.094 -0.056 0.000 1.016 364 V CA -0.931 61.351 62.300 -0.030 0.000 0.832 364 V CB 1.048 32.858 31.823 -0.023 0.000 0.999 364 V HN 0.677 nan 8.190 nan 0.000 0.439 365 I N 4.211 124.748 120.570 -0.056 0.000 2.365 365 I HA 0.289 4.458 4.170 -0.001 0.000 0.291 365 I C 0.977 177.060 176.117 -0.057 0.000 1.004 365 I CA 0.337 61.593 61.300 -0.074 0.000 1.311 365 I CB 1.667 39.632 38.000 -0.059 0.000 1.401 365 I HN 0.777 nan 8.210 nan 0.000 0.491 366 S N 3.461 119.121 115.700 -0.066 0.000 2.593 366 S HA 0.071 4.541 4.470 -0.001 0.000 0.269 366 S C 0.798 175.379 174.600 -0.031 0.000 1.334 366 S CA -0.302 57.870 58.200 -0.048 0.000 1.015 366 S CB 1.435 64.605 63.200 -0.050 0.000 0.912 366 S HN 0.636 nan 8.310 nan 0.000 0.541 367 D N 0.923 121.310 120.400 -0.022 0.000 2.123 367 D HA -0.088 4.551 4.640 -0.001 0.000 0.200 367 D C 1.911 178.209 176.300 -0.004 0.000 0.976 367 D CA 1.375 55.370 54.000 -0.009 0.000 0.831 367 D CB -0.182 40.616 40.800 -0.003 0.000 0.974 367 D HN 0.737 nan 8.370 nan 0.000 0.469 368 K N 0.042 120.437 120.400 -0.010 0.000 2.107 368 K HA -0.332 3.988 4.320 -0.001 0.000 0.211 368 K C 2.126 178.729 176.600 0.004 0.000 1.049 368 K CA 1.919 58.202 56.287 -0.007 0.000 0.927 368 K CB -0.135 32.355 32.500 -0.016 0.000 0.714 368 K HN 0.222 nan 8.250 nan 0.000 0.452 369 Q N -0.619 119.184 119.800 0.005 0.000 2.096 369 Q HA -0.169 4.170 4.340 -0.001 0.000 0.197 369 Q C 2.281 178.303 176.000 0.038 0.000 0.964 369 Q CA 1.761 57.581 55.803 0.029 0.000 0.838 369 Q CB -0.094 28.646 28.738 0.002 0.000 0.906 369 Q HN 0.351 nan 8.270 nan 0.000 0.444 370 R N 0.415 120.926 120.500 0.018 0.000 2.097 370 R HA -0.228 4.112 4.340 -0.001 0.000 0.236 370 R C 2.362 178.681 176.300 0.031 0.000 1.135 370 R CA 2.661 58.776 56.100 0.024 0.000 0.934 370 R CB -2.265 28.043 30.300 0.014 0.000 0.846 370 R HN 0.570 nan 8.270 nan 0.000 0.431 371 R N 0.265 120.780 120.500 0.024 0.000 2.103 371 R HA 0.049 4.389 4.340 -0.001 0.000 0.242 371 R C 2.533 178.851 176.300 0.029 0.000 1.142 371 R CA 1.912 58.027 56.100 0.025 0.000 0.960 371 R CB -1.371 28.940 30.300 0.018 0.000 0.858 371 R HN 0.584 nan 8.270 nan 0.000 0.439 372 L N 0.269 121.510 121.223 0.031 0.000 1.988 372 L HA 0.048 4.387 4.340 -0.001 0.000 0.207 372 L C 2.538 179.435 176.870 0.044 0.000 1.071 372 L CA 1.607 56.466 54.840 0.031 0.000 0.744 372 L CB -0.170 41.908 42.059 0.031 0.000 0.893 372 L HN 0.394 nan 8.230 nan 0.000 0.433 373 L N -0.753 120.508 121.223 0.064 0.000 2.362 373 L HA -0.146 4.194 4.340 -0.001 0.000 0.219 373 L C 2.510 179.413 176.870 0.055 0.000 1.134 373 L CA 0.697 55.578 54.840 0.068 0.000 0.807 373 L CB -1.100 41.017 42.059 0.097 0.000 0.927 373 L HN 0.400 nan 8.230 nan 0.000 0.447 374 A N 1.090 123.938 122.820 0.048 0.000 1.828 374 A HA -0.234 4.086 4.320 -0.001 0.000 0.215 374 A C 2.313 179.926 177.584 0.048 0.000 1.203 374 A CA 1.734 53.797 52.037 0.043 0.000 0.614 374 A CB -0.461 18.561 19.000 0.037 0.000 0.844 374 A HN 0.239 nan 8.150 nan 0.000 0.445 375 K N -0.661 119.769 120.400 0.050 0.000 2.127 375 K HA -0.234 4.086 4.320 -0.001 0.000 0.208 375 K C 1.714 178.360 176.600 0.076 0.000 1.047 375 K CA 1.811 58.136 56.287 0.064 0.000 0.927 375 K CB -0.244 32.293 32.500 0.063 0.000 0.716 375 K HN 0.572 nan 8.250 nan 0.000 0.450 376 D N -0.326 120.112 120.400 0.064 0.000 2.269 376 D HA -0.026 4.614 4.640 -0.001 0.000 0.208 376 D C 1.571 177.910 176.300 0.066 0.000 0.963 376 D CA 0.920 54.962 54.000 0.069 0.000 0.864 376 D CB 0.160 40.989 40.800 0.049 0.000 0.936 376 D HN 0.229 nan 8.370 nan 0.000 0.505 377 A N 0.031 122.884 122.820 0.056 0.000 1.935 377 A HA -0.002 4.318 4.320 -0.001 0.000 0.214 377 A C 2.183 179.797 177.584 0.050 0.000 1.178 377 A CA 1.040 53.107 52.037 0.050 0.000 0.640 377 A CB -0.620 18.407 19.000 0.044 0.000 0.825 377 A HN 0.351 nan 8.150 nan 0.000 0.447 378 M N -0.308 119.323 119.600 0.052 0.000 2.149 378 M HA -0.124 4.356 4.480 -0.001 0.000 0.261 378 M C 1.520 177.852 176.300 0.053 0.000 1.064 378 M CA 1.791 57.120 55.300 0.049 0.000 1.102 378 M CB -0.189 32.442 32.600 0.050 0.000 1.369 378 M HN 0.302 nan 8.290 nan 0.000 0.408 379 I N 0.658 121.273 120.570 0.075 0.000 2.353 379 I HA -0.154 4.016 4.170 -0.001 0.000 0.248 379 I C 2.661 178.818 176.117 0.065 0.000 1.119 379 I CA 1.388 62.737 61.300 0.083 0.000 1.417 379 I CB -1.707 36.381 38.000 0.147 0.000 1.078 379 I HN 0.392 nan 8.210 nan 0.000 0.421 380 A N 0.168 123.027 122.820 0.065 0.000 1.972 380 A HA -0.254 4.065 4.320 -0.001 0.000 0.219 380 A C 2.327 179.940 177.584 0.048 0.000 1.169 380 A CA 1.537 53.609 52.037 0.058 0.000 0.635 380 A CB -0.682 18.352 19.000 0.056 0.000 0.810 380 A HN 0.520 nan 8.150 nan 0.000 0.446 381 Q N 0.146 119.970 119.800 0.041 0.000 2.061 381 Q HA -0.250 4.089 4.340 -0.001 0.000 0.204 381 Q C 2.081 178.097 176.000 0.027 0.000 0.984 381 Q CA 2.166 57.988 55.803 0.031 0.000 0.846 381 Q CB -0.104 28.650 28.738 0.026 0.000 0.902 381 Q HN 0.833 nan 8.270 nan 0.000 0.421 382 R N -0.132 120.381 120.500 0.023 0.000 2.334 382 R HA 0.170 4.510 4.340 -0.001 0.000 0.212 382 R C 0.702 177.008 176.300 0.010 0.000 0.897 382 R CA 0.442 56.549 56.100 0.012 0.000 1.056 382 R CB 0.092 30.392 30.300 -0.000 0.000 1.046 382 R HN 0.030 nan 8.270 nan 0.000 0.513 383 S N 1.497 117.210 115.700 0.021 0.000 2.549 383 S HA 0.146 4.616 4.470 -0.001 0.000 0.279 383 S C 0.026 174.644 174.600 0.029 0.000 1.321 383 S CA -0.895 57.317 58.200 0.020 0.000 1.054 383 S CB 1.370 64.591 63.200 0.034 0.000 0.899 383 S HN 0.314 nan 8.310 nan 0.000 0.497 384 K N 2.230 122.644 120.400 0.023 0.000 2.120 384 K HA 0.457 4.776 4.320 -0.001 0.000 0.245 384 K C 0.485 177.115 176.600 0.051 0.000 1.024 384 K CA 0.695 57.003 56.287 0.036 0.000 0.906 384 K CB -0.352 32.164 32.500 0.027 0.000 1.051 384 K HN 1.373 nan 8.250 nan 0.000 0.491 385 K N 1.431 121.870 120.400 0.064 0.000 3.585 385 K HA -0.148 4.172 4.320 -0.001 0.000 0.275 385 K C -0.187 176.459 176.600 0.077 0.000 1.026 385 K CA 1.444 57.774 56.287 0.072 0.000 0.800 385 K CB -2.748 29.791 32.500 0.064 0.000 1.401 385 K HN 0.529 nan 8.250 nan 0.000 0.453 386 I N 0.770 121.403 120.570 0.105 0.000 2.662 386 I HA 0.311 4.481 4.170 -0.001 0.000 0.291 386 I C 1.082 177.274 176.117 0.125 0.000 1.046 386 I CA -0.223 61.155 61.300 0.129 0.000 1.361 386 I CB 1.539 39.654 38.000 0.192 0.000 1.429 386 I HN 0.778 nan 8.210 nan 0.000 0.558 387 Q N 6.297 126.109 119.800 0.020 0.000 2.451 387 Q HA 0.537 4.877 4.340 -0.001 0.000 0.281 387 Q C -2.756 172.861 176.000 -0.637 0.000 1.099 387 Q CA -2.333 53.360 55.803 -0.183 0.000 0.806 387 Q CB 1.896 30.527 28.738 -0.178 0.000 1.419 387 Q HN 0.193 nan 8.270 nan 0.000 0.427 388 P HA -0.046 nan 4.420 nan 0.000 0.257 388 P C -1.056 175.444 177.300 -1.334 0.000 1.162 388 P CA 0.893 62.697 63.100 -2.160 0.000 0.762 388 P CB 0.341 30.910 31.700 -1.886 0.000 0.753 389 T N 2.337 116.145 114.554 -1.243 0.000 2.885 389 T HA 0.741 5.090 4.350 -0.001 0.000 0.285 389 T C -0.122 174.412 174.700 -0.277 0.000 1.019 389 T CA -0.382 61.413 62.100 -0.509 0.000 1.010 389 T CB 1.928 70.669 68.868 -0.212 0.000 1.022 389 T HN 0.332 nan 8.240 nan 0.000 0.466 390 A N 2.215 124.923 122.820 -0.185 0.000 2.486 390 A HA 0.985 5.305 4.320 -0.001 0.000 0.277 390 A C -1.248 176.313 177.584 -0.039 0.000 1.282 390 A CA -0.971 51.016 52.037 -0.084 0.000 0.784 390 A CB 1.559 20.490 19.000 -0.115 0.000 1.350 390 A HN 0.878 nan 8.150 nan 0.000 0.454 391 K N -0.687 119.706 120.400 -0.011 0.000 2.527 391 K HA 0.655 4.974 4.320 -0.001 0.000 0.260 391 K C -1.821 174.767 176.600 -0.019 0.000 0.937 391 K CA -0.733 55.550 56.287 -0.007 0.000 0.826 391 K CB 1.882 34.392 32.500 0.016 0.000 1.359 391 K HN 0.336 nan 8.250 nan 0.000 0.434 392 V N 3.218 123.121 119.914 -0.017 0.000 2.432 392 V HA 0.087 4.207 4.120 -0.001 0.000 0.271 392 V C 0.884 176.965 176.094 -0.022 0.000 1.046 392 V CA -0.210 62.080 62.300 -0.016 0.000 0.945 392 V CB 1.057 32.880 31.823 0.001 0.000 0.992 392 V HN 0.748 nan 8.190 nan 0.000 0.471 393 V N 2.673 122.529 119.914 -0.096 0.000 3.605 393 V HA 0.480 4.599 4.120 -0.001 0.000 0.284 393 V C -0.077 176.051 176.094 0.057 0.000 1.386 393 V CA 0.237 62.395 62.300 -0.236 0.000 1.053 393 V CB -0.437 30.827 31.823 -0.932 0.000 0.857 393 V HN 0.690 nan 8.190 nan 0.000 0.436 394 Y N -0.198 120.009 120.300 -0.156 0.000 2.521 394 Y HA 0.619 5.169 4.550 -0.001 0.000 0.328 394 Y C -1.314 174.302 175.900 -0.473 0.000 1.151 394 Y CA -1.224 56.662 58.100 -0.358 0.000 1.054 394 Y CB 1.772 40.120 38.460 -0.186 0.000 1.338 394 Y HN -0.015 nan 8.280 nan 0.000 0.453 395 I N 5.874 125.876 120.570 -0.947 0.000 2.307 395 I HA 0.196 4.366 4.170 -0.001 0.000 0.289 395 I C 0.707 176.675 176.117 -0.249 0.000 1.021 395 I CA 0.004 60.987 61.300 -0.529 0.000 1.224 395 I CB 1.452 39.071 38.000 -0.635 0.000 1.376 395 I HN 0.874 nan 8.210 nan 0.000 0.470 396 Q N 5.635 125.440 119.800 0.009 0.000 2.212 396 Q HA 0.047 4.386 4.340 -0.001 0.000 0.199 396 Q C 0.543 176.533 176.000 -0.016 0.000 0.950 396 Q CA 0.910 56.771 55.803 0.097 0.000 0.863 396 Q CB 0.704 29.474 28.738 0.053 0.000 0.944 396 Q HN 0.615 nan 8.270 nan 0.000 0.465 397 R N -0.131 120.318 120.500 -0.086 0.000 2.515 397 R HA 0.339 4.679 4.340 -0.001 0.000 0.278 397 R C -1.898 174.295 176.300 -0.177 0.000 1.107 397 R CA -0.717 55.320 56.100 -0.106 0.000 0.945 397 R CB 1.185 31.453 30.300 -0.053 0.000 1.219 397 R HN -0.117 nan 8.270 nan 0.000 0.434 398 R N 1.358 121.703 120.500 -0.259 0.000 2.297 398 R HA 0.188 4.528 4.340 -0.001 0.000 0.308 398 R C 0.544 176.688 176.300 -0.260 0.000 1.029 398 R CA 0.102 55.927 56.100 -0.459 0.000 0.929 398 R CB 1.399 31.254 30.300 -0.742 0.000 1.046 398 R HN 0.786 nan 8.270 nan 0.000 0.461 399 S N 2.937 118.532 115.700 -0.176 0.000 2.562 399 S HA 0.058 4.528 4.470 -0.001 0.000 0.221 399 S C 0.037 174.738 174.600 0.168 0.000 0.975 399 S CA -0.494 57.734 58.200 0.047 0.000 0.918 399 S CB -0.066 63.233 63.200 0.165 0.000 0.772 399 S HN 0.448 nan 8.310 nan 0.000 0.531 400 W N 4.253 125.559 121.300 0.012 0.000 2.484 400 W HA 0.235 4.895 4.660 -0.001 0.000 0.337 400 W C 1.202 177.627 176.519 -0.157 0.000 1.214 400 W CA -0.444 56.893 57.345 -0.014 0.000 1.296 400 W CB -0.255 29.163 29.460 -0.070 0.000 1.174 400 W HN 0.484 nan 8.180 nan 0.000 0.564 401 R N 0.854 121.217 120.500 -0.228 0.000 2.962 401 R HA 0.498 4.838 4.340 -0.001 0.000 0.256 401 R C -0.832 175.122 176.300 -0.576 0.000 1.199 401 R CA -1.183 54.691 56.100 -0.378 0.000 1.012 401 R CB 1.007 31.050 30.300 -0.430 0.000 1.289 401 R HN 0.343 nan 8.270 nan 0.000 0.462 402 Q N 0.705 120.255 119.800 -0.416 0.000 2.297 402 Q HA 0.190 4.529 4.340 -0.001 0.000 0.267 402 Q C -1.299 174.458 176.000 -0.405 0.000 1.006 402 Q CA 0.261 55.861 55.803 -0.337 0.000 0.896 402 Q CB 0.617 29.229 28.738 -0.210 0.000 1.186 402 Q HN 0.343 nan 8.270 nan 0.000 0.392 403 Y N 0.474 120.713 120.300 -0.103 0.000 2.409 403 Y HA 0.358 4.907 4.550 -0.001 0.000 0.339 403 Y C 0.151 176.000 175.900 -0.084 0.000 1.033 403 Y CA -1.078 56.980 58.100 -0.070 0.000 1.094 403 Y CB 1.253 39.690 38.460 -0.039 0.000 1.210 403 Y HN 0.277 nan 8.280 nan 0.000 0.456 404 V N 2.389 122.356 119.914 0.089 0.000 2.607 404 V HA 0.794 4.913 4.120 -0.001 0.000 0.289 404 V C 0.412 176.521 176.094 0.026 0.000 1.053 404 V CA -0.028 62.286 62.300 0.023 0.000 0.996 404 V CB 0.843 32.662 31.823 -0.007 0.000 0.995 404 V HN 0.971 nan 8.190 nan 0.000 0.476 405 G N 3.582 112.384 108.800 0.004 0.000 2.600 405 G HA2 0.659 4.619 3.960 -0.001 0.000 0.293 405 G HA3 0.659 4.619 3.960 -0.001 0.000 0.293 405 G C -1.800 173.097 174.900 -0.004 0.000 1.408 405 G CA -0.713 44.382 45.100 -0.008 0.000 0.782 405 G HN 0.660 nan 8.290 nan 0.000 0.482 406 Q N -0.046 119.746 119.800 -0.014 0.000 2.372 406 Q HA 0.626 4.965 4.340 -0.001 0.000 0.273 406 Q C -0.681 175.308 176.000 -0.017 0.000 1.078 406 Q CA -0.996 54.802 55.803 -0.008 0.000 0.806 406 Q CB 2.558 31.288 28.738 -0.013 0.000 1.332 406 Q HN 0.484 nan 8.270 nan 0.000 0.435 407 L N 1.336 122.553 121.223 -0.010 0.000 2.499 407 L HA 0.170 4.509 4.340 -0.001 0.000 0.281 407 L C 0.438 177.294 176.870 -0.023 0.000 1.234 407 L CA -0.181 54.649 54.840 -0.017 0.000 0.839 407 L CB 0.180 42.224 42.059 -0.025 0.000 1.104 407 L HN 0.837 nan 8.230 nan 0.000 0.500 408 A N 4.186 126.999 122.820 -0.012 0.000 2.410 408 A HA 0.316 4.636 4.320 -0.001 0.000 0.292 408 A C -1.442 176.143 177.584 0.002 0.000 1.232 408 A CA -1.270 50.758 52.037 -0.015 0.000 0.893 408 A CB -0.119 18.887 19.000 0.011 0.000 1.131 408 A HN 0.585 nan 8.150 nan 0.000 0.530 409 P HA -0.221 nan 4.420 nan 0.000 0.217 409 P C 1.617 178.951 177.300 0.056 0.000 1.148 409 P CA 1.970 65.076 63.100 0.011 0.000 0.828 409 P CB -0.007 31.691 31.700 -0.003 0.000 0.783 410 S N -0.748 114.985 115.700 0.055 0.000 2.469 410 S HA -0.103 4.366 4.470 -0.001 0.000 0.238 410 S C 1.872 176.621 174.600 0.249 0.000 0.998 410 S CA 1.309 59.579 58.200 0.117 0.000 0.957 410 S CB -1.346 61.880 63.200 0.044 0.000 0.764 410 S HN 0.326 nan 8.310 nan 0.000 0.514 411 S N -0.188 115.598 115.700 0.143 0.000 2.524 411 S HA 0.344 4.814 4.470 -0.001 0.000 0.215 411 S C 0.263 174.753 174.600 -0.183 0.000 0.986 411 S CA -0.417 57.817 58.200 0.057 0.000 0.911 411 S CB -0.016 63.251 63.200 0.111 0.000 0.805 411 S HN 0.260 nan 8.310 nan 0.000 0.501 412 V N 2.620 122.482 119.914 -0.086 0.000 2.483 412 V HA 0.451 4.570 4.120 -0.001 0.000 0.295 412 V C -0.703 175.363 176.094 -0.046 0.000 1.035 412 V CA -0.917 61.306 62.300 -0.129 0.000 0.896 412 V CB 1.633 33.420 31.823 -0.060 0.000 0.986 412 V HN 0.306 nan 8.190 nan 0.000 0.447 413 D N 6.447 126.787 120.400 -0.100 0.000 2.347 413 D HA 0.294 4.934 4.640 -0.001 0.000 0.235 413 D C -1.480 174.839 176.300 0.031 0.000 1.149 413 D CA -2.078 51.960 54.000 0.063 0.000 0.850 413 D CB 1.987 42.807 40.800 0.033 0.000 1.061 413 D HN 0.235 nan 8.370 nan 0.000 0.487 414 P HA -0.022 nan 4.420 nan 0.000 0.231 414 P C 0.643 177.948 177.300 0.008 0.000 1.168 414 P CA 0.761 63.871 63.100 0.017 0.000 0.779 414 P CB 0.239 31.951 31.700 0.021 0.000 0.844 415 Q N -0.427 119.386 119.800 0.022 0.000 2.172 415 Q HA 0.352 4.692 4.340 -0.001 0.000 0.217 415 Q C 0.668 176.670 176.000 0.003 0.000 0.832 415 Q CA -0.133 55.676 55.803 0.011 0.000 1.010 415 Q CB -0.215 28.535 28.738 0.020 0.000 1.133 415 Q HN 0.195 nan 8.270 nan 0.000 0.489 416 S N -1.005 114.692 115.700 -0.006 0.000 2.552 416 S HA 0.623 5.093 4.470 -0.001 0.000 0.314 416 S C 0.879 175.457 174.600 -0.037 0.000 1.099 416 S CA 0.351 58.541 58.200 -0.018 0.000 1.070 416 S CB 1.215 64.406 63.200 -0.014 0.000 0.998 416 S HN 0.695 nan 8.310 nan 0.000 0.474 417 S N 2.838 118.515 115.700 -0.038 0.000 2.593 417 S HA 0.330 4.800 4.470 -0.001 0.000 0.217 417 S C 0.900 175.467 174.600 -0.055 0.000 0.966 417 S CA -0.109 58.063 58.200 -0.048 0.000 0.914 417 S CB -0.174 63.002 63.200 -0.041 0.000 0.776 417 S HN 0.661 nan 8.310 nan 0.000 0.523 418 S N 1.886 117.554 115.700 -0.054 0.000 2.580 418 S HA 0.331 4.800 4.470 -0.001 0.000 0.266 418 S C 0.849 175.405 174.600 -0.074 0.000 1.354 418 S CA 0.030 58.194 58.200 -0.059 0.000 1.008 418 S CB 0.756 63.922 63.200 -0.056 0.000 0.898 418 S HN 0.676 nan 8.310 nan 0.000 0.555 419 T N 0.470 114.979 114.554 -0.074 0.000 2.913 419 T HA 0.376 4.726 4.350 -0.001 0.000 0.297 419 T C -0.586 174.054 174.700 -0.100 0.000 1.029 419 T CA -0.477 61.572 62.100 -0.086 0.000 1.104 419 T CB 0.258 69.082 68.868 -0.074 0.000 0.964 419 T HN 0.577 nan 8.240 nan 0.000 0.532 420 Q N 1.959 121.687 119.800 -0.119 0.000 2.289 420 Q HA 0.338 4.677 4.340 -0.001 0.000 0.270 420 Q C -1.066 174.835 176.000 -0.166 0.000 1.038 420 Q CA -1.068 54.647 55.803 -0.148 0.000 0.812 420 Q CB 1.810 30.449 28.738 -0.166 0.000 1.300 420 Q HN 0.664 nan 8.270 nan 0.000 0.427 421 N N 1.614 120.201 118.700 -0.187 0.000 2.470 421 N HA 0.348 5.088 4.740 -0.001 0.000 0.268 421 N C -0.493 174.833 175.510 -0.306 0.000 1.136 421 N CA 0.065 52.974 53.050 -0.235 0.000 0.961 421 N CB 1.242 39.593 38.487 -0.227 0.000 1.067 421 N HN 0.432 nan 8.380 nan 0.000 0.468 422 V N -1.220 118.480 119.914 -0.356 0.000 3.232 422 V HA 0.647 4.767 4.120 -0.001 0.000 0.303 422 V C -1.115 174.706 176.094 -0.456 0.000 1.311 422 V CA -1.108 60.982 62.300 -0.350 0.000 1.061 422 V CB 1.471 33.173 31.823 -0.202 0.000 1.085 422 V HN 0.338 nan 8.190 nan 0.000 0.447 423 F N 0.581 120.426 119.950 -0.173 0.000 2.443 423 F HA 0.774 5.300 4.527 -0.001 0.000 0.335 423 F C 0.115 175.816 175.800 -0.166 0.000 1.104 423 F CA -0.802 57.072 58.000 -0.209 0.000 1.013 423 F CB 2.189 41.030 39.000 -0.264 0.000 1.136 423 F HN 0.399 nan 8.300 nan 0.000 0.470 424 V N 5.058 124.997 119.914 0.042 0.000 2.398 424 V HA 0.315 4.435 4.120 -0.001 0.000 0.286 424 V C -0.230 175.837 176.094 -0.044 0.000 1.026 424 V CA -0.707 61.586 62.300 -0.011 0.000 0.868 424 V CB 1.378 33.185 31.823 -0.026 0.000 0.982 424 V HN 0.416 nan 8.190 nan 0.000 0.443 425 I N 5.940 126.468 120.570 -0.069 0.000 2.312 425 I HA 0.273 4.443 4.170 -0.001 0.000 0.291 425 I C 0.317 176.383 176.117 -0.085 0.000 1.031 425 I CA 0.225 61.458 61.300 -0.112 0.000 1.293 425 I CB 0.840 38.757 38.000 -0.139 0.000 1.403 425 I HN 0.403 nan 8.210 nan 0.000 0.484 426 L N 5.868 127.034 121.223 -0.095 0.000 2.467 426 L HA 0.192 4.531 4.340 -0.001 0.000 0.270 426 L C 1.651 178.487 176.870 -0.056 0.000 1.205 426 L CA -0.140 54.661 54.840 -0.064 0.000 0.828 426 L CB 0.299 42.304 42.059 -0.091 0.000 1.101 426 L HN 0.757 nan 8.230 nan 0.000 0.479 427 M N 0.560 120.149 119.600 -0.019 0.000 2.254 427 M HA -0.055 4.425 4.480 -0.001 0.000 0.265 427 M C 0.583 176.876 176.300 -0.012 0.000 1.066 427 M CA 1.181 56.472 55.300 -0.015 0.000 1.123 427 M CB 0.124 32.721 32.600 -0.005 0.000 1.388 427 M HN 0.593 nan 8.290 nan 0.000 0.425 428 D N 1.593 121.994 120.400 0.001 0.000 2.346 428 D HA 0.017 4.656 4.640 -0.001 0.000 0.260 428 D C 0.481 176.759 176.300 -0.037 0.000 1.252 428 D CA 0.171 54.172 54.000 0.002 0.000 0.895 428 D CB 0.911 41.742 40.800 0.051 0.000 1.097 428 D HN 0.095 nan 8.370 nan 0.000 0.489 429 K N 2.622 122.997 120.400 -0.043 0.000 2.442 429 K HA -0.043 4.276 4.320 -0.001 0.000 0.198 429 K C 1.671 178.239 176.600 -0.054 0.000 1.042 429 K CA 0.276 56.522 56.287 -0.068 0.000 0.958 429 K CB -0.589 31.880 32.500 -0.051 0.000 0.766 429 K HN 0.492 nan 8.250 nan 0.000 0.474 430 C N 0.747 120.035 119.300 -0.021 0.000 2.472 430 C HA 0.108 4.568 4.460 -0.001 0.000 0.278 430 C C 1.287 176.294 174.990 0.028 0.000 1.447 430 C CA -0.239 58.795 59.018 0.027 0.000 1.773 430 C CB -0.942 26.817 27.740 0.031 0.000 1.793 430 C HN 0.235 nan 8.230 nan 0.000 0.544 431 L N 1.615 122.803 121.223 -0.060 0.000 2.375 431 L HA 0.413 4.752 4.340 -0.001 0.000 0.268 431 L C -1.815 174.961 176.870 -0.157 0.000 1.058 431 L CA -1.610 53.114 54.840 -0.194 0.000 0.803 431 L CB 0.833 42.761 42.059 -0.218 0.000 1.212 431 L HN -0.095 nan 8.230 nan 0.000 0.451 432 P HA 0.188 nan 4.420 nan 0.000 0.289 432 P C -1.594 175.620 177.300 -0.143 0.000 1.299 432 P CA -0.628 62.449 63.100 -0.038 0.000 0.766 432 P CB 0.629 32.334 31.700 0.009 0.000 1.226 433 K N -0.859 119.498 120.400 -0.072 0.000 2.106 433 K HA 0.597 4.916 4.320 -0.001 0.000 0.246 433 K C -0.907 175.664 176.600 -0.048 0.000 0.987 433 K CA -0.944 55.275 56.287 -0.115 0.000 0.904 433 K CB 0.802 33.163 32.500 -0.232 0.000 1.071 433 K HN 0.152 nan 8.250 nan 0.000 0.453 434 V N 1.215 121.108 119.914 -0.035 0.000 2.656 434 V HA 0.382 4.501 4.120 -0.001 0.000 0.307 434 V C -0.441 175.610 176.094 -0.072 0.000 1.051 434 V CA -1.146 61.113 62.300 -0.069 0.000 0.893 434 V CB 1.486 33.242 31.823 -0.112 0.000 0.999 434 V HN 0.712 nan 8.190 nan 0.000 0.426 435 R N 4.409 124.818 120.500 -0.152 0.000 2.340 435 R HA 0.740 5.080 4.340 -0.001 0.000 0.300 435 R C -0.455 175.721 176.300 -0.207 0.000 1.069 435 R CA -0.186 55.738 56.100 -0.293 0.000 0.984 435 R CB 0.886 30.998 30.300 -0.314 0.000 1.003 435 R HN 0.838 nan 8.270 nan 0.000 0.459 436 I N -1.787 118.663 120.570 -0.201 0.000 2.802 436 I HA 0.547 4.717 4.170 -0.001 0.000 0.298 436 I C -0.921 175.117 176.117 -0.132 0.000 1.176 436 I CA -1.286 59.944 61.300 -0.116 0.000 1.025 436 I CB 2.451 40.424 38.000 -0.045 0.000 1.243 436 I HN 0.476 nan 8.210 nan 0.000 0.424 437 R N 2.572 123.018 120.500 -0.091 0.000 2.393 437 R HA 0.686 5.025 4.340 -0.001 0.000 0.310 437 R C -1.136 175.122 176.300 -0.070 0.000 0.968 437 R CA -0.177 55.864 56.100 -0.098 0.000 0.867 437 R CB 1.698 31.945 30.300 -0.087 0.000 1.124 437 R HN 0.902 nan 8.270 nan 0.000 0.450 438 T N 2.595 117.091 114.554 -0.097 0.000 3.032 438 T HA 0.278 4.628 4.350 -0.001 0.000 0.312 438 T C 0.533 175.156 174.700 -0.128 0.000 1.078 438 T CA -0.713 61.319 62.100 -0.113 0.000 1.028 438 T CB 1.306 70.081 68.868 -0.156 0.000 1.091 438 T HN 0.783 nan 8.240 nan 0.000 0.457 439 R N 2.188 122.615 120.500 -0.122 0.000 2.193 439 R HA 0.080 4.419 4.340 -0.001 0.000 0.229 439 R C 1.462 177.682 176.300 -0.133 0.000 1.110 439 R CA 1.182 57.214 56.100 -0.112 0.000 0.988 439 R CB 0.046 30.290 30.300 -0.094 0.000 0.871 439 R HN 0.446 nan 8.270 nan 0.000 0.458 440 R N -0.409 119.979 120.500 -0.186 0.000 2.652 440 R HA 0.287 4.627 4.340 -0.001 0.000 0.372 440 R C 1.215 177.401 176.300 -0.190 0.000 1.104 440 R CA 0.145 56.127 56.100 -0.197 0.000 1.072 440 R CB 0.764 30.901 30.300 -0.271 0.000 1.367 440 R HN 0.100 nan 8.270 nan 0.000 0.577 441 A N 1.585 124.307 122.820 -0.163 0.000 1.906 441 A HA -0.345 3.974 4.320 -0.001 0.000 0.222 441 A C 2.290 179.809 177.584 -0.108 0.000 1.282 441 A CA 2.520 54.476 52.037 -0.136 0.000 0.675 441 A CB -0.706 18.217 19.000 -0.128 0.000 0.838 441 A HN 0.455 nan 8.150 nan 0.000 0.469 442 A N -1.419 121.346 122.820 -0.091 0.000 1.929 442 A HA -0.086 4.233 4.320 -0.001 0.000 0.216 442 A C 1.962 179.508 177.584 -0.063 0.000 1.176 442 A CA 1.603 53.602 52.037 -0.064 0.000 0.628 442 A CB -0.456 18.514 19.000 -0.051 0.000 0.816 442 A HN 0.679 nan 8.150 nan 0.000 0.444 443 E N -0.131 120.021 120.200 -0.081 0.000 2.047 443 E HA -0.073 4.277 4.350 -0.001 0.000 0.191 443 E C 1.526 178.082 176.600 -0.073 0.000 0.987 443 E CA 0.934 57.289 56.400 -0.075 0.000 0.799 443 E CB -0.218 29.428 29.700 -0.090 0.000 0.752 443 E HN 0.606 nan 8.360 nan 0.000 0.449 444 L N 1.194 122.354 121.223 -0.105 0.000 2.622 444 L HA -0.076 4.264 4.340 -0.001 0.000 0.233 444 L C 2.068 178.913 176.870 -0.042 0.000 1.156 444 L CA -0.262 54.530 54.840 -0.080 0.000 0.866 444 L CB -0.140 41.837 42.059 -0.137 0.000 0.980 444 L HN 0.163 nan 8.230 nan 0.000 0.448 445 L N -0.368 120.829 121.223 -0.044 0.000 2.265 445 L HA -0.117 4.222 4.340 -0.001 0.000 0.215 445 L C 1.103 177.962 176.870 -0.019 0.000 1.117 445 L CA 1.769 56.590 54.840 -0.031 0.000 0.782 445 L CB -0.222 41.819 42.059 -0.030 0.000 0.914 445 L HN 0.184 nan 8.230 nan 0.000 0.441 446 D N -0.721 119.670 120.400 -0.014 0.000 2.696 446 D HA 0.120 4.759 4.640 -0.001 0.000 0.269 446 D C -0.231 176.068 176.300 -0.002 0.000 1.319 446 D CA 0.011 54.006 54.000 -0.008 0.000 0.826 446 D CB 0.497 41.292 40.800 -0.009 0.000 1.086 446 D HN 0.140 nan 8.370 nan 0.000 0.481 447 K N 0.757 121.160 120.400 0.005 0.000 2.138 447 K HA 0.323 4.643 4.320 -0.001 0.000 0.263 447 K C 0.292 176.906 176.600 0.022 0.000 0.965 447 K CA -0.692 55.606 56.287 0.019 0.000 0.868 447 K CB 2.270 34.794 32.500 0.040 0.000 1.083 447 K HN -0.078 nan 8.250 nan 0.000 0.443 448 R N 3.941 124.450 120.500 0.014 0.000 2.309 448 R HA 0.142 4.481 4.340 -0.001 0.000 0.331 448 R C 0.401 176.716 176.300 0.026 0.000 1.116 448 R CA -0.068 56.036 56.100 0.007 0.000 0.970 448 R CB -0.390 29.900 30.300 -0.018 0.000 1.024 448 R HN 0.635 nan 8.270 nan 0.000 0.472 449 I N 0.589 121.188 120.570 0.048 0.000 2.924 449 I HA 0.543 4.712 4.170 -0.001 0.000 0.316 449 I C -0.758 175.340 176.117 -0.031 0.000 1.014 449 I CA -1.171 60.167 61.300 0.065 0.000 1.106 449 I CB 1.859 40.001 38.000 0.237 0.000 1.311 449 I HN 0.114 nan 8.210 nan 0.000 0.502 450 V N 3.925 123.750 119.914 -0.149 0.000 2.513 450 V HA 0.540 4.659 4.120 -0.001 0.000 0.299 450 V C -0.036 175.900 176.094 -0.263 0.000 1.035 450 V CA -0.354 61.839 62.300 -0.180 0.000 0.889 450 V CB 1.424 33.124 31.823 -0.205 0.000 0.988 450 V HN 0.740 nan 8.190 nan 0.000 0.440 451 I N 1.771 122.237 120.570 -0.174 0.000 3.264 451 I HA 0.913 5.082 4.170 -0.001 0.000 0.315 451 I C -0.356 175.617 176.117 -0.240 0.000 1.154 451 I CA -0.583 60.577 61.300 -0.232 0.000 0.962 451 I CB 2.519 40.433 38.000 -0.144 0.000 1.265 451 I HN 0.386 nan 8.210 nan 0.000 0.463 452 S N 2.591 118.045 115.700 -0.411 0.000 2.538 452 S HA 0.672 5.142 4.470 -0.001 0.000 0.288 452 S C -0.605 173.762 174.600 -0.388 0.000 1.108 452 S CA -0.536 57.438 58.200 -0.376 0.000 0.971 452 S CB 1.390 64.318 63.200 -0.454 0.000 1.041 452 S HN 0.489 nan 8.310 nan 0.000 0.483 453 I N 2.768 123.090 120.570 -0.413 0.000 2.474 453 I HA 0.214 4.384 4.170 -0.001 0.000 0.287 453 I C 0.648 176.483 176.117 -0.469 0.000 1.048 453 I CA 0.131 61.021 61.300 -0.682 0.000 1.383 453 I CB 0.625 37.653 38.000 -1.621 0.000 1.412 453 I HN 0.718 nan 8.210 nan 0.000 0.531 454 D N 2.628 122.853 120.400 -0.292 0.000 2.525 454 D HA 0.046 4.686 4.640 -0.001 0.000 0.248 454 D C 0.650 176.982 176.300 0.054 0.000 1.000 454 D CA 0.807 54.786 54.000 -0.036 0.000 0.923 454 D CB 1.000 41.836 40.800 0.061 0.000 1.101 454 D HN 0.633 nan 8.370 nan 0.000 0.493 455 S N -1.239 114.471 115.700 0.017 0.000 2.611 455 S HA 0.454 4.923 4.470 -0.001 0.000 0.268 455 S C -2.246 172.574 174.600 0.367 0.000 1.156 455 S CA -0.787 57.582 58.200 0.282 0.000 0.817 455 S CB 2.022 65.374 63.200 0.252 0.000 1.122 455 S HN 0.123 nan 8.310 nan 0.000 0.466 456 W N 3.446 124.950 121.300 0.340 0.000 2.073 456 W HA 0.478 5.138 4.660 -0.001 0.000 0.295 456 W C -3.103 173.557 176.519 0.235 0.000 1.005 456 W CA -2.056 55.469 57.345 0.300 0.000 1.451 456 W CB 0.786 30.475 29.460 0.382 0.000 1.515 456 W HN 0.718 nan 8.180 nan 0.000 0.341 457 P HA 0.160 nan 4.420 nan 0.000 0.276 457 P C 1.195 178.645 177.300 0.250 0.000 1.261 457 P CA 0.350 63.637 63.100 0.311 0.000 0.800 457 P CB 1.285 33.167 31.700 0.305 0.000 1.066 458 T N -2.831 111.776 114.554 0.087 0.000 2.737 458 T HA -0.171 4.179 4.350 -0.001 0.000 0.269 458 T C 1.270 176.095 174.700 0.208 0.000 1.040 458 T CA 2.141 64.297 62.100 0.094 0.000 1.142 458 T CB -1.800 67.056 68.868 -0.021 0.000 0.861 458 T HN 0.562 nan 8.240 nan 0.000 0.456 459 T N -1.372 113.254 114.554 0.120 0.000 3.244 459 T HA 0.313 4.663 4.350 -0.001 0.000 0.254 459 T C -0.147 174.534 174.700 -0.032 0.000 1.024 459 T CA -0.647 61.461 62.100 0.015 0.000 0.920 459 T CB -0.711 68.097 68.868 -0.100 0.000 1.042 459 T HN 0.674 nan 8.240 nan 0.000 0.572 460 H N -0.051 119.295 119.070 0.459 0.000 2.689 460 H HA 0.423 4.978 4.556 -0.001 0.000 0.346 460 H C 0.784 176.551 175.328 0.731 0.000 1.037 460 H CA -0.885 55.463 56.048 0.499 0.000 1.234 460 H CB 2.132 32.141 29.762 0.412 0.000 1.572 460 H HN -0.061 nan 8.280 nan 0.000 0.524 461 K N 2.565 123.340 120.400 0.625 0.000 2.362 461 K HA -0.018 4.301 4.320 -0.001 0.000 0.200 461 K C -0.666 176.003 176.600 0.116 0.000 1.046 461 K CA 1.145 57.603 56.287 0.285 0.000 0.952 461 K CB 0.349 32.638 32.500 -0.352 0.000 0.753 461 K HN 0.473 nan 8.250 nan 0.000 0.466 462 Y N -0.153 120.392 120.300 0.408 0.000 2.553 462 Y HA 0.315 4.864 4.550 -0.001 0.000 0.347 462 Y C -2.338 173.107 175.900 -0.758 0.000 1.019 462 Y CA -2.995 54.988 58.100 -0.195 0.000 1.032 462 Y CB 1.597 40.070 38.460 0.022 0.000 1.284 462 Y HN -0.055 nan 8.280 nan 0.000 0.466 463 P HA 0.069 nan 4.420 nan 0.000 0.270 463 P C -1.023 176.093 177.300 -0.307 0.000 1.223 463 P CA -0.129 62.529 63.100 -0.736 0.000 0.785 463 P CB 1.301 32.686 31.700 -0.526 0.000 0.923 464 L N 1.409 122.509 121.223 -0.206 0.000 2.317 464 L HA 0.789 5.129 4.340 -0.001 0.000 0.281 464 L C 0.129 176.892 176.870 -0.178 0.000 1.024 464 L CA 0.026 54.765 54.840 -0.168 0.000 0.810 464 L CB 1.256 43.241 42.059 -0.122 0.000 1.240 464 L HN 0.615 nan 8.230 nan 0.000 0.427 465 G N 2.692 111.403 108.800 -0.148 0.000 3.086 465 G HA2 0.598 4.558 3.960 -0.001 0.000 0.282 465 G HA3 0.598 4.558 3.960 -0.001 0.000 0.282 465 G C -1.629 173.264 174.900 -0.011 0.000 1.343 465 G CA -0.362 44.654 45.100 -0.140 0.000 0.895 465 G HN 0.975 nan 8.290 nan 0.000 0.557 466 H N -1.739 117.287 119.070 -0.074 0.000 3.046 466 H HA 0.443 4.999 4.556 -0.001 0.000 0.363 466 H C -1.883 173.458 175.328 0.021 0.000 1.203 466 H CA -0.920 55.117 56.048 -0.018 0.000 1.169 466 H CB 1.575 31.325 29.762 -0.021 0.000 1.851 466 H HN 0.439 nan 8.280 nan 0.000 0.546 467 F N 3.317 123.290 119.950 0.037 0.000 2.529 467 F HA 0.209 4.736 4.527 -0.000 0.000 0.365 467 F C -0.024 175.791 175.800 0.025 0.000 1.102 467 F CA 0.203 58.195 58.000 -0.014 0.000 1.271 467 F CB 0.750 39.747 39.000 -0.005 0.000 1.120 467 F HN 0.346 nan 8.300 nan 0.000 0.579 468 V N 5.145 124.514 119.914 -0.908 0.000 2.840 468 V HA 0.268 4.387 4.120 -0.001 0.000 0.234 468 V C 0.075 175.655 176.094 -0.856 0.000 1.159 468 V CA 0.803 62.736 62.300 -0.611 0.000 1.194 468 V CB -0.102 31.486 31.823 -0.392 0.000 0.971 468 V HN 0.855 nan 8.190 nan 0.000 0.494 469 R N 0.114 119.915 120.500 -1.166 0.000 2.752 469 R HA 0.502 4.841 4.340 -0.001 0.000 0.277 469 R C -2.158 173.947 176.300 -0.324 0.000 1.024 469 R CA -0.738 54.959 56.100 -0.671 0.000 0.866 469 R CB 1.356 31.524 30.300 -0.221 0.000 1.278 469 R HN 0.113 nan 8.270 nan 0.000 0.473 470 D N 0.972 121.435 120.400 0.105 0.000 2.381 470 D HA 0.290 4.930 4.640 -0.001 0.000 0.235 470 D C 0.371 176.710 176.300 0.066 0.000 1.068 470 D CA -0.805 53.307 54.000 0.186 0.000 0.832 470 D CB 1.537 42.514 40.800 0.295 0.000 1.101 470 D HN 0.637 nan 8.370 nan 0.000 0.515 471 L N 2.954 124.195 121.223 0.030 0.000 2.554 471 L HA 0.369 4.708 4.340 -0.001 0.000 0.226 471 L C 1.407 178.281 176.870 0.007 0.000 1.137 471 L CA 0.428 55.271 54.840 0.005 0.000 0.863 471 L CB -0.684 41.362 42.059 -0.021 0.000 0.985 471 L HN 0.716 nan 8.230 nan 0.000 0.451 472 G N -0.114 108.698 108.800 0.021 0.000 2.422 472 G HA2 -0.157 3.803 3.960 -0.001 0.000 0.607 472 G HA3 -0.157 3.803 3.960 -0.001 0.000 0.607 472 G C -0.171 174.734 174.900 0.008 0.000 1.270 472 G CA -0.451 44.657 45.100 0.013 0.000 0.992 472 G HN 0.117 nan 8.290 nan 0.000 0.499 473 T N -1.319 113.237 114.554 0.004 0.000 2.813 473 T HA 0.487 4.837 4.350 -0.001 0.000 0.297 473 T C 2.161 176.861 174.700 -0.001 0.000 1.036 473 T CA 0.464 62.566 62.100 0.002 0.000 1.044 473 T CB 0.799 69.668 68.868 0.002 0.000 0.993 473 T HN 1.717 nan 8.240 nan 0.000 0.535 474 I N -1.893 118.678 120.570 0.002 0.000 2.761 474 I HA 0.093 4.263 4.170 -0.001 0.000 0.261 474 I C 1.695 177.824 176.117 0.020 0.000 1.198 474 I CA 0.803 62.106 61.300 0.005 0.000 1.482 474 I CB -0.512 37.492 38.000 0.006 0.000 1.100 474 I HN 0.532 nan 8.210 nan 0.000 0.445 475 E N 1.186 121.396 120.200 0.017 0.000 2.435 475 E HA -0.058 4.291 4.350 -0.001 0.000 0.195 475 E C 2.181 178.797 176.600 0.026 0.000 1.029 475 E CA 0.632 57.048 56.400 0.026 0.000 0.865 475 E CB 0.010 29.716 29.700 0.009 0.000 0.833 475 E HN 0.439 nan 8.360 nan 0.000 0.510 476 S N -0.328 115.378 115.700 0.010 0.000 2.402 476 S HA -0.246 4.223 4.470 -0.001 0.000 0.233 476 S C 1.622 176.223 174.600 0.003 0.000 1.030 476 S CA 1.457 59.659 58.200 0.002 0.000 1.003 476 S CB -0.208 62.987 63.200 -0.007 0.000 0.813 476 S HN 0.433 nan 8.310 nan 0.000 0.477 477 A N -0.356 122.462 122.820 -0.003 0.000 1.470 477 A HA -0.422 3.897 4.320 -0.001 0.000 0.224 477 A C 1.729 179.301 177.584 -0.020 0.000 0.453 477 A CA 2.170 54.211 52.037 0.005 0.000 1.102 477 A CB -2.269 16.756 19.000 0.041 0.000 1.462 477 A HN 0.824 nan 8.150 nan 0.000 0.719 478 Q N 0.294 120.087 119.800 -0.013 0.000 2.119 478 Q HA 0.341 4.680 4.340 -0.001 0.000 0.201 478 Q C 1.990 177.950 176.000 -0.065 0.000 0.972 478 Q CA 2.661 58.446 55.803 -0.030 0.000 0.847 478 Q CB -0.494 28.236 28.738 -0.014 0.000 0.903 478 Q HN 1.688 nan 8.270 nan 0.000 0.433 479 A N 0.520 123.306 122.820 -0.058 0.000 2.067 479 A HA -0.151 4.169 4.320 -0.001 0.000 0.219 479 A C 2.075 179.592 177.584 -0.111 0.000 1.158 479 A CA 1.333 53.328 52.037 -0.070 0.000 0.661 479 A CB -0.466 18.507 19.000 -0.044 0.000 0.801 479 A HN 0.498 nan 8.150 nan 0.000 0.452 480 E N -0.248 119.863 120.200 -0.147 0.000 2.086 480 E HA -0.091 4.258 4.350 -0.001 0.000 0.190 480 E C 1.952 178.419 176.600 -0.222 0.000 0.975 480 E CA 1.508 57.755 56.400 -0.255 0.000 0.813 480 E CB -0.213 29.204 29.700 -0.471 0.000 0.768 480 E HN 0.531 nan 8.360 nan 0.000 0.457 481 T N 1.227 115.683 114.554 -0.164 0.000 2.684 481 T HA -0.180 4.170 4.350 -0.001 0.000 0.267 481 T C 1.768 176.345 174.700 -0.206 0.000 1.036 481 T CA 1.574 63.589 62.100 -0.141 0.000 1.148 481 T CB -0.262 68.545 68.868 -0.101 0.000 0.863 481 T HN 0.278 nan 8.240 nan 0.000 0.436 482 E N 0.609 120.665 120.200 -0.239 0.000 2.118 482 E HA -0.150 4.200 4.350 -0.001 0.000 0.195 482 E C 2.362 178.835 176.600 -0.211 0.000 0.992 482 E CA 0.988 57.188 56.400 -0.333 0.000 0.804 482 E CB -0.159 29.403 29.700 -0.230 0.000 0.741 482 E HN 0.510 nan 8.360 nan 0.000 0.458 483 A N 0.754 123.489 122.820 -0.141 0.000 1.897 483 A HA -0.118 4.201 4.320 -0.001 0.000 0.215 483 A C 2.150 179.703 177.584 -0.050 0.000 1.181 483 A CA 0.765 52.749 52.037 -0.090 0.000 0.620 483 A CB -0.575 18.368 19.000 -0.095 0.000 0.821 483 A HN 0.238 nan 8.150 nan 0.000 0.443 484 L N -0.538 120.659 121.223 -0.043 0.000 2.013 484 L HA -0.246 4.094 4.340 -0.001 0.000 0.212 484 L C 2.636 179.608 176.870 0.170 0.000 1.073 484 L CA 1.464 56.356 54.840 0.088 0.000 0.753 484 L CB -0.643 41.440 42.059 0.041 0.000 0.890 484 L HN 0.405 nan 8.230 nan 0.000 0.432 485 L N -1.144 120.091 121.223 0.021 0.000 2.005 485 L HA -0.245 4.095 4.340 -0.001 0.000 0.207 485 L C 2.545 179.484 176.870 0.115 0.000 1.072 485 L CA 0.867 55.738 54.840 0.051 0.000 0.744 485 L CB -0.537 41.446 42.059 -0.127 0.000 0.895 485 L HN 0.169 nan 8.230 nan 0.000 0.433 486 L N -0.205 121.060 121.223 0.070 0.000 2.043 486 L HA -0.241 4.099 4.340 -0.001 0.000 0.212 486 L C 2.719 179.583 176.870 -0.010 0.000 1.075 486 L CA 1.700 56.578 54.840 0.064 0.000 0.752 486 L CB -0.647 41.427 42.059 0.025 0.000 0.891 486 L HN 0.232 nan 8.230 nan 0.000 0.432 487 E N -0.960 119.208 120.200 -0.053 0.000 2.150 487 E HA -0.173 4.176 4.350 -0.001 0.000 0.193 487 E C 1.495 177.889 176.600 -0.343 0.000 0.985 487 E CA 1.177 57.456 56.400 -0.201 0.000 0.814 487 E CB -0.176 29.361 29.700 -0.272 0.000 0.752 487 E HN 0.664 nan 8.360 nan 0.000 0.466 488 H N -0.331 118.778 119.070 0.065 0.000 2.505 488 H HA 0.096 4.651 4.556 -0.001 0.000 0.289 488 H C -0.043 175.318 175.328 0.054 0.000 1.052 488 H CA 0.165 56.261 56.048 0.080 0.000 1.156 488 H CB 0.399 30.221 29.762 0.101 0.000 1.507 488 H HN -0.066 nan 8.280 nan 0.000 0.548 489 D N 0.211 120.665 120.400 0.090 0.000 2.983 489 D HA -0.174 4.466 4.640 -0.001 0.000 0.225 489 D C -0.723 175.621 176.300 0.074 0.000 1.174 489 D CA 0.362 54.395 54.000 0.055 0.000 0.831 489 D CB -1.249 39.567 40.800 0.027 0.000 1.104 489 D HN 0.172 nan 8.370 nan 0.000 0.421 490 V N 0.907 120.893 119.914 0.120 0.000 2.488 490 V HA 0.228 4.348 4.120 -0.001 0.000 0.277 490 V C 0.851 177.020 176.094 0.125 0.000 1.046 490 V CA -0.380 61.982 62.300 0.103 0.000 0.986 490 V CB 1.474 33.360 31.823 0.105 0.000 0.989 490 V HN 0.184 nan 8.190 nan 0.000 0.475 491 E N 4.177 124.392 120.200 0.025 0.000 2.316 491 E HA 0.152 4.502 4.350 -0.001 0.000 0.275 491 E C -0.104 176.476 176.600 -0.033 0.000 1.029 491 E CA 0.034 56.387 56.400 -0.079 0.000 0.871 491 E CB 0.564 30.183 29.700 -0.135 0.000 1.022 491 E HN 0.654 nan 8.360 nan 0.000 0.418 492 Y N 1.984 122.211 120.300 -0.122 0.000 2.527 492 Y HA 0.435 4.984 4.550 -0.001 0.000 0.247 492 Y C 0.334 176.137 175.900 -0.162 0.000 1.138 492 Y CA -0.788 57.229 58.100 -0.139 0.000 1.228 492 Y CB -0.090 38.313 38.460 -0.094 0.000 1.252 492 Y HN 0.166 nan 8.280 nan 0.000 0.531 493 R N 2.175 122.460 120.500 -0.358 0.000 2.863 493 R HA 0.227 4.567 4.340 -0.001 0.000 0.273 493 R C -2.281 173.873 176.300 -0.244 0.000 1.057 493 R CA -1.469 54.470 56.100 -0.267 0.000 1.191 493 R CB -0.540 29.595 30.300 -0.275 0.000 1.104 493 R HN 0.076 nan 8.270 nan 0.000 0.519 494 P HA -0.012 nan 4.420 nan 0.000 0.271 494 P C -0.508 176.687 177.300 -0.175 0.000 1.233 494 P CA -0.036 62.975 63.100 -0.148 0.000 0.789 494 P CB 0.283 31.963 31.700 -0.033 0.000 0.951 495 F N -0.183 119.748 119.950 -0.032 0.000 2.553 495 F HA 0.026 4.553 4.527 -0.001 0.000 0.356 495 F C 1.727 177.506 175.800 -0.035 0.000 1.142 495 F CA 0.307 58.286 58.000 -0.035 0.000 1.322 495 F CB 0.216 39.198 39.000 -0.030 0.000 1.126 495 F HN 0.194 nan 8.300 nan 0.000 0.599 496 S N 2.190 117.992 115.700 0.171 0.000 2.558 496 S HA -0.022 4.447 4.470 -0.001 0.000 0.291 496 S C 1.123 175.767 174.600 0.072 0.000 1.306 496 S CA -0.544 57.705 58.200 0.080 0.000 1.056 496 S CB 0.642 63.875 63.200 0.054 0.000 0.836 496 S HN 0.661 nan 8.310 nan 0.000 0.504 497 K N 3.022 123.445 120.400 0.038 0.000 2.283 497 K HA -0.022 4.298 4.320 -0.001 0.000 0.202 497 K C 1.916 178.523 176.600 0.012 0.000 1.048 497 K CA 1.156 57.458 56.287 0.023 0.000 0.948 497 K CB -0.035 32.473 32.500 0.013 0.000 0.742 497 K HN 0.574 nan 8.250 nan 0.000 0.458 498 K N 0.506 120.913 120.400 0.012 0.000 2.281 498 K HA -0.111 4.209 4.320 -0.001 0.000 0.203 498 K C 1.796 178.394 176.600 -0.002 0.000 1.046 498 K CA 0.920 57.209 56.287 0.003 0.000 0.938 498 K CB -0.052 32.450 32.500 0.003 0.000 0.737 498 K HN -0.028 nan 8.250 nan 0.000 0.458 499 V N 1.827 121.742 119.914 0.002 0.000 2.307 499 V HA -0.255 3.865 4.120 -0.001 0.000 0.245 499 V C 2.207 178.273 176.094 -0.048 0.000 1.045 499 V CA 1.436 63.717 62.300 -0.031 0.000 1.024 499 V CB -0.499 31.294 31.823 -0.050 0.000 0.651 499 V HN 0.288 nan 8.190 nan 0.000 0.449 500 L N 0.188 121.390 121.223 -0.035 0.000 2.017 500 L HA -0.398 3.942 4.340 -0.001 0.000 0.234 500 L C 2.716 179.567 176.870 -0.031 0.000 1.097 500 L CA 2.682 57.500 54.840 -0.036 0.000 0.816 500 L CB -0.864 41.183 42.059 -0.020 0.000 0.914 500 L HN 0.513 nan 8.230 nan 0.000 0.444 501 E N -0.571 119.618 120.200 -0.019 0.000 2.284 501 E HA -0.270 4.080 4.350 -0.001 0.000 0.200 501 E C 2.006 178.599 176.600 -0.013 0.000 1.008 501 E CA 1.882 58.275 56.400 -0.013 0.000 0.829 501 E CB -0.077 29.617 29.700 -0.010 0.000 0.744 501 E HN 0.685 nan 8.360 nan 0.000 0.491 502 C N 0.384 119.671 119.300 -0.021 0.000 2.533 502 C HA 0.248 4.708 4.460 -0.001 0.000 0.272 502 C C 1.245 176.228 174.990 -0.012 0.000 1.371 502 C CA -0.626 58.380 59.018 -0.019 0.000 1.758 502 C CB -0.790 26.935 27.740 -0.026 0.000 1.972 502 C HN 0.284 nan 8.230 nan 0.000 0.522 503 L N 1.505 122.712 121.223 -0.026 0.000 2.472 503 L HA 0.262 4.602 4.340 -0.001 0.000 0.260 503 L C -2.190 174.692 176.870 0.021 0.000 1.209 503 L CA -1.408 53.420 54.840 -0.020 0.000 0.817 503 L CB -0.467 41.550 42.059 -0.070 0.000 1.106 503 L HN -0.130 nan 8.230 nan 0.000 0.479 504 P HA 0.025 nan 4.420 nan 0.000 0.267 504 P C 0.186 177.543 177.300 0.094 0.000 1.205 504 P CA -0.024 63.153 63.100 0.127 0.000 0.765 504 P CB 0.996 32.837 31.700 0.236 0.000 0.828 505 A N 4.448 127.321 122.820 0.088 0.000 2.009 505 A HA -0.240 4.080 4.320 -0.001 0.000 0.222 505 A C 1.583 179.200 177.584 0.056 0.000 1.175 505 A CA 1.919 53.989 52.037 0.056 0.000 0.651 505 A CB -0.732 18.300 19.000 0.054 0.000 0.815 505 A HN 0.685 nan 8.150 nan 0.000 0.459 506 E N -0.672 119.590 120.200 0.103 0.000 2.476 506 E HA 0.323 4.673 4.350 -0.001 0.000 0.196 506 E C 1.208 177.865 176.600 0.095 0.000 1.029 506 E CA 0.704 57.162 56.400 0.096 0.000 0.896 506 E CB -0.946 28.821 29.700 0.111 0.000 1.012 506 E HN 0.739 nan 8.360 nan 0.000 0.475 507 G N 2.859 111.695 108.800 0.059 0.000 2.672 507 G HA2 -0.404 3.556 3.960 -0.001 0.000 0.324 507 G HA3 -0.404 3.556 3.960 -0.001 0.000 0.324 507 G C 0.784 175.709 174.900 0.041 0.000 1.286 507 G CA 0.832 45.897 45.100 -0.058 0.000 1.004 507 G HN 0.475 nan 8.290 nan 0.000 0.548 508 H N 1.435 120.541 119.070 0.061 0.000 2.521 508 H HA 0.019 4.575 4.556 -0.001 0.000 0.286 508 H C 2.056 177.441 175.328 0.095 0.000 1.034 508 H CA 1.550 57.633 56.048 0.059 0.000 1.278 508 H CB -0.137 29.642 29.762 0.028 0.000 1.386 508 H HN 0.444 nan 8.280 nan 0.000 0.567 509 D N -0.530 119.986 120.400 0.194 0.000 2.355 509 D HA -0.075 4.565 4.640 -0.001 0.000 0.218 509 D C 0.574 176.961 176.300 0.144 0.000 1.004 509 D CA -0.167 53.914 54.000 0.135 0.000 0.880 509 D CB -0.405 40.442 40.800 0.079 0.000 0.911 509 D HN 0.304 nan 8.370 nan 0.000 0.528 510 W N 2.364 123.681 121.300 0.029 0.000 2.391 510 W HA -0.062 4.598 4.660 -0.001 0.000 0.339 510 W C 0.110 176.626 176.519 -0.006 0.000 1.252 510 W CA 0.644 58.003 57.345 0.024 0.000 1.304 510 W CB 0.339 29.835 29.460 0.061 0.000 1.179 510 W HN -0.315 nan 8.180 nan 0.000 0.567 511 K N 4.948 124.867 120.400 -0.800 0.000 2.501 511 K HA 0.564 4.884 4.320 -0.001 0.000 0.252 511 K C -0.534 175.345 176.600 -1.202 0.000 0.934 511 K CA -1.013 54.857 56.287 -0.694 0.000 0.797 511 K CB 1.732 34.031 32.500 -0.333 0.000 1.270 511 K HN 0.461 nan 8.250 nan 0.000 0.431 512 A N 3.992 126.295 122.820 -0.862 0.000 2.520 512 A HA 0.231 4.550 4.320 -0.001 0.000 0.245 512 A C -2.014 175.365 177.584 -0.343 0.000 1.072 512 A CA -0.765 50.887 52.037 -0.642 0.000 0.761 512 A CB -0.691 18.169 19.000 -0.234 0.000 1.004 512 A HN 0.396 nan 8.150 nan 0.000 0.499 513 P HA 0.060 nan 4.420 nan 0.000 0.266 513 P C 0.813 178.084 177.300 -0.048 0.000 1.193 513 P CA 0.114 63.151 63.100 -0.106 0.000 0.770 513 P CB 0.374 32.063 31.700 -0.018 0.000 0.836 514 T N 1.262 115.787 114.554 -0.048 0.000 2.732 514 T HA -0.051 4.298 4.350 -0.001 0.000 0.261 514 T C 0.676 175.373 174.700 -0.006 0.000 1.040 514 T CA 1.198 63.282 62.100 -0.026 0.000 1.145 514 T CB -0.094 68.757 68.868 -0.029 0.000 0.866 514 T HN 0.378 nan 8.240 nan 0.000 0.427 515 K N 1.432 121.829 120.400 -0.006 0.000 2.263 515 K HA 0.334 4.653 4.320 -0.001 0.000 0.272 515 K C 0.123 176.731 176.600 0.013 0.000 1.033 515 K CA -0.440 55.849 56.287 0.003 0.000 0.884 515 K CB 1.463 33.962 32.500 -0.001 0.000 1.107 515 K HN -0.052 nan 8.250 nan 0.000 0.460 516 L N 2.652 123.889 121.223 0.022 0.000 2.191 516 L HA -0.202 4.138 4.340 -0.001 0.000 0.212 516 L C 1.662 178.543 176.870 0.020 0.000 1.103 516 L CA 1.826 56.683 54.840 0.029 0.000 0.769 516 L CB -0.312 41.762 42.059 0.025 0.000 0.908 516 L HN 0.701 nan 8.230 nan 0.000 0.438 517 D N -1.914 118.494 120.400 0.012 0.000 2.328 517 D HA -0.076 4.564 4.640 -0.001 0.000 0.226 517 D C 0.380 176.683 176.300 0.005 0.000 1.066 517 D CA -0.221 53.784 54.000 0.008 0.000 0.861 517 D CB -0.574 40.229 40.800 0.005 0.000 0.912 517 D HN 0.257 nan 8.370 nan 0.000 0.521 518 D N 1.784 122.187 120.400 0.005 0.000 2.493 518 D HA -0.017 4.622 4.640 -0.001 0.000 0.240 518 D C -1.334 174.966 176.300 0.001 0.000 1.142 518 D CA -1.134 52.865 54.000 -0.000 0.000 0.872 518 D CB 1.575 42.371 40.800 -0.005 0.000 1.173 518 D HN -0.062 nan 8.370 nan 0.000 0.467 519 P HA -0.081 nan 4.420 nan 0.000 0.217 519 P C 1.082 178.382 177.300 -0.001 0.000 1.154 519 P CA 0.692 63.792 63.100 -0.001 0.000 0.841 519 P CB 0.116 31.814 31.700 -0.003 0.000 0.790 520 E N 0.344 120.542 120.200 -0.003 0.000 2.058 520 E HA -0.202 4.147 4.350 -0.001 0.000 0.194 520 E C 1.981 178.582 176.600 0.001 0.000 0.997 520 E CA 1.355 57.753 56.400 -0.004 0.000 0.801 520 E CB -0.552 29.142 29.700 -0.010 0.000 0.746 520 E HN 0.045 nan 8.360 nan 0.000 0.450 521 A N 0.644 123.465 122.820 0.001 0.000 1.892 521 A HA -0.180 4.140 4.320 -0.001 0.000 0.218 521 A C 2.428 180.030 177.584 0.031 0.000 1.188 521 A CA 1.671 53.717 52.037 0.015 0.000 0.631 521 A CB -0.828 18.181 19.000 0.014 0.000 0.822 521 A HN 0.271 nan 8.150 nan 0.000 0.447 522 V N -0.250 119.676 119.914 0.020 0.000 2.626 522 V HA -0.147 3.973 4.120 -0.001 0.000 0.252 522 V C 3.155 179.255 176.094 0.011 0.000 1.067 522 V CA 2.282 64.592 62.300 0.017 0.000 1.081 522 V CB -0.648 31.180 31.823 0.007 0.000 0.686 522 V HN 0.768 nan 8.190 nan 0.000 0.468 523 S N 0.300 116.005 115.700 0.008 0.000 2.362 523 S HA -0.129 4.341 4.470 -0.001 0.000 0.221 523 S C 2.216 176.822 174.600 0.009 0.000 1.032 523 S CA 1.667 59.869 58.200 0.004 0.000 0.973 523 S CB -0.467 62.734 63.200 0.001 0.000 0.849 523 S HN 0.499 nan 8.310 nan 0.000 0.465 524 K N 0.175 120.585 120.400 0.018 0.000 2.281 524 K HA 0.017 4.336 4.320 -0.001 0.000 0.203 524 K C 0.504 177.129 176.600 0.041 0.000 1.046 524 K CA 1.529 57.833 56.287 0.028 0.000 0.938 524 K CB -0.458 32.061 32.500 0.033 0.000 0.737 524 K HN 0.636 nan 8.250 nan 0.000 0.458 525 D N -1.975 118.454 120.400 0.047 0.000 2.312 525 D HA 0.156 4.795 4.640 -0.001 0.000 0.229 525 D C -2.597 173.724 176.300 0.034 0.000 1.337 525 D CA -1.666 52.370 54.000 0.060 0.000 0.964 525 D CB 1.848 42.739 40.800 0.151 0.000 1.456 525 D HN -0.042 nan 8.370 nan 0.000 0.547 526 P HA 0.038 nan 4.420 nan 0.000 0.227 526 P C 1.622 178.888 177.300 -0.057 0.000 1.161 526 P CA 0.141 63.224 63.100 -0.028 0.000 0.788 526 P CB 0.525 32.200 31.700 -0.041 0.000 0.822 527 L N -1.172 120.000 121.223 -0.086 0.000 2.549 527 L HA -0.099 4.241 4.340 -0.001 0.000 0.230 527 L C 2.298 179.137 176.870 -0.051 0.000 1.162 527 L CA 0.335 55.063 54.840 -0.187 0.000 0.834 527 L CB -0.831 41.046 42.059 -0.303 0.000 0.947 527 L HN -0.036 nan 8.230 nan 0.000 0.452 528 L N -0.029 121.194 121.223 0.001 0.000 2.141 528 L HA -0.193 4.146 4.340 -0.001 0.000 0.209 528 L C 2.829 179.705 176.870 0.009 0.000 1.094 528 L CA 2.156 57.001 54.840 0.008 0.000 0.763 528 L CB -0.613 41.468 42.059 0.036 0.000 0.908 528 L HN 0.446 nan 8.230 nan 0.000 0.437 529 T N -3.182 111.372 114.554 0.001 0.000 2.699 529 T HA -0.292 4.058 4.350 -0.001 0.000 0.268 529 T C 1.858 176.571 174.700 0.022 0.000 1.036 529 T CA 1.510 63.613 62.100 0.004 0.000 1.147 529 T CB -0.430 68.432 68.868 -0.009 0.000 0.862 529 T HN 0.310 nan 8.240 nan 0.000 0.446 530 K N 0.573 121.000 120.400 0.045 0.000 2.432 530 K HA 0.119 4.438 4.320 -0.001 0.000 0.196 530 K C 1.337 178.021 176.600 0.140 0.000 1.038 530 K CA -0.049 56.308 56.287 0.117 0.000 0.986 530 K CB 0.030 32.635 32.500 0.175 0.000 0.782 530 K HN 0.381 nan 8.250 nan 0.000 0.485 531 R N 1.907 122.457 120.500 0.082 0.000 2.389 531 R HA 0.092 4.432 4.340 -0.001 0.000 0.295 531 R C -0.250 176.031 176.300 -0.032 0.000 1.075 531 R CA 0.026 56.102 56.100 -0.039 0.000 1.005 531 R CB 0.577 30.776 30.300 -0.169 0.000 0.987 531 R HN -0.124 nan 8.270 nan 0.000 0.452 532 K N 2.423 122.802 120.400 -0.035 0.000 2.098 532 K HA 0.085 4.405 4.320 -0.001 0.000 0.257 532 K C -0.462 176.135 176.600 -0.005 0.000 0.999 532 K CA -0.447 55.836 56.287 -0.006 0.000 0.924 532 K CB 0.697 33.203 32.500 0.009 0.000 1.028 532 K HN 0.726 nan 8.250 nan 0.000 0.466 533 D N 1.921 122.325 120.400 0.006 0.000 2.412 533 D HA 0.259 4.898 4.640 -0.001 0.000 0.224 533 D C -0.309 175.993 176.300 0.003 0.000 1.093 533 D CA -0.342 53.665 54.000 0.010 0.000 0.850 533 D CB 0.530 41.338 40.800 0.013 0.000 1.046 533 D HN 0.437 nan 8.370 nan 0.000 0.507 534 L N 4.012 125.231 121.223 -0.006 0.000 2.984 534 L HA 0.333 4.672 4.340 -0.001 0.000 0.246 534 L C 1.864 178.688 176.870 -0.076 0.000 1.268 534 L CA -0.242 54.572 54.840 -0.044 0.000 1.054 534 L CB 0.252 42.281 42.059 -0.051 0.000 1.393 534 L HN 0.105 nan 8.230 nan 0.000 0.532 535 R N 0.603 121.081 120.500 -0.037 0.000 2.307 535 R HA -0.082 4.258 4.340 -0.001 0.000 0.199 535 R C 1.416 177.694 176.300 -0.036 0.000 1.000 535 R CA 0.918 56.996 56.100 -0.037 0.000 1.023 535 R CB 0.095 30.390 30.300 -0.007 0.000 0.908 535 R HN 0.479 nan 8.270 nan 0.000 0.473 536 D N -0.050 120.332 120.400 -0.031 0.000 2.333 536 D HA -0.063 4.577 4.640 -0.001 0.000 0.208 536 D C -0.019 176.266 176.300 -0.024 0.000 0.984 536 D CA 0.328 54.319 54.000 -0.015 0.000 0.873 536 D CB 0.105 40.906 40.800 0.002 0.000 0.935 536 D HN -0.224 nan 8.370 nan 0.000 0.521 537 K N 1.205 121.554 120.400 -0.086 0.000 2.416 537 K HA 0.158 4.478 4.320 -0.001 0.000 0.283 537 K C 0.464 177.010 176.600 -0.089 0.000 1.037 537 K CA -0.214 55.985 56.287 -0.146 0.000 0.995 537 K CB 1.109 33.322 32.500 -0.479 0.000 0.938 537 K HN 0.245 nan 8.250 nan 0.000 0.475 538 L N 5.698 126.948 121.223 0.045 0.000 2.376 538 L HA 0.166 4.506 4.340 -0.001 0.000 0.250 538 L C 0.470 177.388 176.870 0.080 0.000 1.335 538 L CA -0.068 54.810 54.840 0.063 0.000 1.214 538 L CB -0.600 41.524 42.059 0.107 0.000 1.395 538 L HN 0.348 nan 8.230 nan 0.000 0.424 539 I N 1.054 121.609 120.570 -0.026 0.000 2.532 539 I HA 0.288 4.457 4.170 -0.001 0.000 0.292 539 I C 0.419 176.520 176.117 -0.026 0.000 1.014 539 I CA -0.368 60.913 61.300 -0.032 0.000 1.340 539 I CB 1.501 39.362 38.000 -0.231 0.000 1.422 539 I HN 0.545 nan 8.210 nan 0.000 0.528 540 C N 2.986 122.306 119.300 0.033 0.000 3.323 540 C HA 0.861 5.321 4.460 -0.001 0.000 0.324 540 C C -0.145 174.875 174.990 0.050 0.000 1.428 540 C CA -0.565 58.457 59.018 0.008 0.000 1.368 540 C CB 1.329 29.153 27.740 0.141 0.000 1.731 540 C HN 0.856 nan 8.230 nan 0.000 0.455 541 S N 0.396 116.105 115.700 0.016 0.000 2.638 541 S HA 0.892 5.362 4.470 -0.001 0.000 0.302 541 S C -1.098 173.558 174.600 0.092 0.000 1.096 541 S CA -0.657 57.566 58.200 0.038 0.000 0.953 541 S CB 1.248 64.432 63.200 -0.028 0.000 1.107 541 S HN 0.986 nan 8.310 nan 0.000 0.503 542 I N 1.296 121.878 120.570 0.020 0.000 2.571 542 I HA 0.485 4.655 4.170 -0.001 0.000 0.286 542 I C -1.688 174.206 176.117 -0.371 0.000 1.134 542 I CA -0.484 60.761 61.300 -0.092 0.000 1.052 542 I CB 1.944 39.940 38.000 -0.007 0.000 1.237 542 I HN 0.691 nan 8.210 nan 0.000 0.435 543 D N 6.252 126.327 120.400 -0.541 0.000 2.652 543 D HA 0.487 5.127 4.640 -0.001 0.000 0.285 543 D C -2.801 173.105 176.300 -0.658 0.000 1.173 543 D CA -1.174 52.466 54.000 -0.600 0.000 0.981 543 D CB 1.447 42.115 40.800 -0.221 0.000 1.440 543 D HN 0.178 nan 8.370 nan 0.000 0.485 544 P HA 0.144 nan 4.420 nan 0.000 0.270 544 P C -2.519 174.756 177.300 -0.043 0.000 1.227 544 P CA -0.835 62.254 63.100 -0.017 0.000 0.788 544 P CB -0.609 31.128 31.700 0.062 0.000 0.926 545 P HA 0.137 nan 4.420 nan 0.000 0.277 545 P C 0.645 177.949 177.300 0.006 0.000 1.240 545 P CA 0.349 63.453 63.100 0.006 0.000 0.798 545 P CB 0.185 31.901 31.700 0.027 0.000 0.979 546 G N 0.682 109.484 108.800 0.003 0.000 2.160 546 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.251 546 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.251 546 G C 0.238 175.143 174.900 0.007 0.000 1.008 546 G CA -0.088 45.017 45.100 0.008 0.000 0.724 546 G HN 0.862 nan 8.290 nan 0.000 0.514 547 C N 0.288 119.584 119.300 -0.006 0.000 2.540 547 C HA 0.643 5.103 4.460 -0.001 0.000 0.377 547 C C 2.245 177.237 174.990 0.003 0.000 1.274 547 C CA 0.329 59.343 59.018 -0.006 0.000 1.718 547 C CB -0.499 27.220 27.740 -0.035 0.000 2.391 547 C HN 1.299 nan 8.230 nan 0.000 0.565 548 V N 5.431 125.361 119.914 0.027 0.000 2.871 548 V HA 0.130 4.250 4.120 -0.001 0.000 0.256 548 V C 1.022 177.122 176.094 0.010 0.000 1.082 548 V CA 2.089 64.402 62.300 0.022 0.000 1.105 548 V CB -0.314 31.535 31.823 0.042 0.000 0.713 548 V HN 0.954 nan 8.190 nan 0.000 0.473 549 D N -0.557 119.853 120.400 0.016 0.000 2.863 549 D HA 0.458 5.098 4.640 -0.001 0.000 0.245 549 D C -1.354 174.941 176.300 -0.007 0.000 1.211 549 D CA -0.416 53.584 54.000 0.001 0.000 0.888 549 D CB 2.179 42.989 40.800 0.016 0.000 1.483 549 D HN 0.285 nan 8.370 nan 0.000 0.533 550 I N 2.573 123.130 120.570 -0.022 0.000 2.347 550 I HA 0.109 4.279 4.170 -0.001 0.000 0.283 550 I C 0.719 176.830 176.117 -0.009 0.000 1.058 550 I CA -0.557 60.731 61.300 -0.021 0.000 1.202 550 I CB 0.674 38.653 38.000 -0.034 0.000 1.386 550 I HN 0.210 nan 8.210 nan 0.000 0.475 551 N N 3.363 122.065 118.700 0.002 0.000 2.333 551 N HA -0.047 4.692 4.740 -0.001 0.000 0.178 551 N C -0.173 175.362 175.510 0.042 0.000 1.018 551 N CA 0.838 53.893 53.050 0.009 0.000 0.882 551 N CB 0.145 38.633 38.487 0.003 0.000 0.984 551 N HN 0.616 nan 8.380 nan 0.000 0.434 552 D N -0.741 119.693 120.400 0.057 0.000 2.738 552 D HA 0.662 5.302 4.640 -0.001 0.000 0.237 552 D C -0.939 175.427 176.300 0.110 0.000 1.123 552 D CA -0.910 53.152 54.000 0.103 0.000 0.856 552 D CB 1.986 42.855 40.800 0.116 0.000 1.552 552 D HN 0.015 nan 8.370 nan 0.000 0.480 553 A N 1.167 124.088 122.820 0.168 0.000 2.569 553 A HA 0.835 5.154 4.320 -0.001 0.000 0.290 553 A C -1.555 176.200 177.584 0.286 0.000 1.136 553 A CA -0.831 51.309 52.037 0.171 0.000 0.710 553 A CB 1.490 20.559 19.000 0.116 0.000 1.303 553 A HN 0.535 nan 8.150 nan 0.000 0.413 554 L N 1.503 122.879 121.223 0.255 0.000 2.472 554 L HA 0.579 4.919 4.340 -0.001 0.000 0.260 554 L C -1.025 176.022 176.870 0.295 0.000 0.963 554 L CA -0.792 54.204 54.840 0.259 0.000 0.829 554 L CB 2.634 44.744 42.059 0.086 0.000 1.348 554 L HN 1.057 nan 8.230 nan 0.000 0.408 555 H N 1.574 120.750 119.070 0.176 0.000 3.016 555 H HA 0.887 5.442 4.556 -0.001 0.000 0.362 555 H C -2.079 173.308 175.328 0.098 0.000 1.233 555 H CA -1.008 55.117 56.048 0.129 0.000 1.124 555 H CB 2.267 32.124 29.762 0.158 0.000 1.850 555 H HN 0.687 nan 8.280 nan 0.000 0.549 556 A N 2.760 125.486 122.820 -0.156 0.000 2.429 556 A HA 0.519 4.838 4.320 -0.001 0.000 0.289 556 A C -1.154 176.556 177.584 0.210 0.000 1.043 556 A CA -0.822 51.154 52.037 -0.102 0.000 0.722 556 A CB 1.423 20.342 19.000 -0.134 0.000 1.243 556 A HN 0.715 nan 8.150 nan 0.000 0.415 557 K N 2.317 122.884 120.400 0.278 0.000 2.507 557 K HA 0.345 4.664 4.320 -0.001 0.000 0.251 557 K C -0.921 175.658 176.600 -0.035 0.000 0.943 557 K CA -0.595 55.818 56.287 0.211 0.000 0.794 557 K CB 1.594 34.186 32.500 0.154 0.000 1.188 557 K HN 0.693 nan 8.250 nan 0.000 0.428 558 K N 5.051 125.126 120.400 -0.542 0.000 2.339 558 K HA 0.175 4.495 4.320 -0.001 0.000 0.286 558 K C -0.363 175.945 176.600 -0.488 0.000 1.050 558 K CA -0.259 55.361 56.287 -1.110 0.000 0.956 558 K CB 0.496 32.213 32.500 -1.305 0.000 0.990 558 K HN 0.570 nan 8.250 nan 0.000 0.475 559 L N 6.591 127.580 121.223 -0.390 0.000 2.418 559 L HA 0.162 4.501 4.340 -0.001 0.000 0.265 559 L C -1.003 175.764 176.870 -0.172 0.000 1.143 559 L CA -1.674 53.054 54.840 -0.187 0.000 0.809 559 L CB 0.927 42.925 42.059 -0.102 0.000 1.124 559 L HN 0.647 nan 8.230 nan 0.000 0.456 560 P HA -0.196 nan 4.420 nan 0.000 0.217 560 P C 0.537 177.790 177.300 -0.078 0.000 1.148 560 P CA 1.605 64.655 63.100 -0.083 0.000 0.834 560 P CB -0.168 31.503 31.700 -0.050 0.000 0.783 561 N N -1.585 117.072 118.700 -0.072 0.000 2.422 561 N HA 0.107 4.846 4.740 -0.001 0.000 0.181 561 N C 1.370 176.845 175.510 -0.059 0.000 1.080 561 N CA 1.243 54.263 53.050 -0.051 0.000 0.893 561 N CB -0.313 38.156 38.487 -0.030 0.000 0.973 561 N HN 0.241 nan 8.380 nan 0.000 0.456 562 G N -0.929 107.809 108.800 -0.103 0.000 2.541 562 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.201 562 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.201 562 G C -0.143 174.685 174.900 -0.121 0.000 1.026 562 G CA -0.262 44.776 45.100 -0.103 0.000 0.687 562 G HN 0.354 nan 8.290 nan 0.000 0.492 563 N N 0.056 118.715 118.700 -0.068 0.000 2.297 563 N HA 0.380 5.119 4.740 -0.001 0.000 0.232 563 N C -0.789 174.672 175.510 -0.082 0.000 1.311 563 N CA 0.290 53.342 53.050 0.003 0.000 0.897 563 N CB 0.199 38.712 38.487 0.043 0.000 1.137 563 N HN 0.391 nan 8.380 nan 0.000 0.449 564 W N 0.421 121.737 121.300 0.027 0.000 2.471 564 W HA 0.245 4.904 4.660 -0.002 0.000 0.318 564 W C 0.436 176.975 176.519 0.034 0.000 1.034 564 W CA -0.607 56.751 57.345 0.021 0.000 1.224 564 W CB 0.735 30.205 29.460 0.017 0.000 1.335 564 W HN 0.368 nan 8.180 nan 0.000 0.452 565 E N 3.025 123.362 120.200 0.229 0.000 2.290 565 E HA 0.347 4.696 4.350 -0.001 0.000 0.277 565 E C -1.110 175.564 176.600 0.124 0.000 1.035 565 E CA 0.051 56.556 56.400 0.174 0.000 0.873 565 E CB 0.832 30.608 29.700 0.127 0.000 1.029 565 E HN 0.267 nan 8.360 nan 0.000 0.419 566 V N 3.154 123.157 119.914 0.149 0.000 2.789 566 V HA 0.667 4.787 4.120 -0.001 0.000 0.311 566 V C 0.098 176.314 176.094 0.202 0.000 1.073 566 V CA -0.539 61.793 62.300 0.054 0.000 0.921 566 V CB 2.215 34.118 31.823 0.133 0.000 1.009 566 V HN 0.786 nan 8.190 nan 0.000 0.426 567 G N 2.138 111.000 108.800 0.103 0.000 2.666 567 G HA2 0.613 4.572 3.960 -0.001 0.000 0.303 567 G HA3 0.613 4.572 3.960 -0.001 0.000 0.303 567 G C -1.597 173.349 174.900 0.077 0.000 1.412 567 G CA -0.448 44.739 45.100 0.145 0.000 0.979 567 G HN 0.518 nan 8.290 nan 0.000 0.507 568 V N 3.171 123.082 119.914 -0.005 0.000 2.370 568 V HA 0.391 4.510 4.120 -0.001 0.000 0.283 568 V C -0.779 175.231 176.094 -0.140 0.000 1.023 568 V CA -0.765 61.598 62.300 0.104 0.000 0.857 568 V CB 1.017 33.071 31.823 0.385 0.000 0.985 568 V HN 0.801 nan 8.190 nan 0.000 0.443 569 H N 5.017 124.201 119.070 0.190 0.000 2.587 569 H HA 0.588 5.144 4.556 -0.000 0.000 0.325 569 H C -0.495 174.928 175.328 0.159 0.000 1.012 569 H CA -0.704 55.441 56.048 0.162 0.000 1.213 569 H CB 1.058 30.888 29.762 0.113 0.000 1.431 569 H HN 0.352 nan 8.280 nan 0.000 0.492 570 I N 1.650 122.382 120.570 0.270 0.000 2.525 570 I HA 0.369 4.539 4.170 -0.001 0.000 0.301 570 I C 0.780 177.025 176.117 0.215 0.000 0.992 570 I CA -1.034 60.381 61.300 0.191 0.000 1.162 570 I CB 1.361 39.408 38.000 0.078 0.000 1.332 570 I HN 0.736 nan 8.210 nan 0.000 0.458 571 A N 3.610 126.503 122.820 0.122 0.000 2.573 571 A HA -0.085 4.234 4.320 -0.001 0.000 0.250 571 A C 0.461 178.140 177.584 0.159 0.000 1.049 571 A CA 0.150 52.246 52.037 0.098 0.000 0.767 571 A CB -0.479 18.520 19.000 -0.002 0.000 0.965 571 A HN 0.685 nan 8.150 nan 0.000 0.514 572 D N 3.326 123.871 120.400 0.242 0.000 2.688 572 D HA 0.214 4.853 4.640 -0.001 0.000 0.228 572 D C 1.073 177.567 176.300 0.324 0.000 1.116 572 D CA -0.034 54.150 54.000 0.306 0.000 1.023 572 D CB -0.105 40.859 40.800 0.273 0.000 1.100 572 D HN 0.162 nan 8.370 nan 0.000 0.487 573 V N 1.546 121.540 119.914 0.132 0.000 2.427 573 V HA -0.220 3.899 4.120 -0.001 0.000 0.248 573 V C 2.610 178.821 176.094 0.194 0.000 1.051 573 V CA 2.087 64.460 62.300 0.121 0.000 1.048 573 V CB -0.897 30.882 31.823 -0.072 0.000 0.666 573 V HN 0.580 nan 8.190 nan 0.000 0.456 574 T N -1.480 113.159 114.554 0.141 0.000 2.849 574 T HA -0.320 4.029 4.350 -0.001 0.000 0.270 574 T C 1.744 176.529 174.700 0.142 0.000 1.066 574 T CA 1.952 64.140 62.100 0.147 0.000 1.130 574 T CB -0.654 68.334 68.868 0.200 0.000 0.864 574 T HN 0.684 nan 8.240 nan 0.000 0.481 575 H N 0.372 119.484 119.070 0.069 0.000 2.423 575 H HA 0.079 4.635 4.556 -0.001 0.000 0.297 575 H C 1.348 176.528 175.328 -0.247 0.000 1.075 575 H CA 1.326 57.321 56.048 -0.090 0.000 1.342 575 H CB -0.341 29.340 29.762 -0.135 0.000 1.395 575 H HN 0.480 nan 8.280 nan 0.000 0.530 576 F N -0.785 119.187 119.950 0.038 0.000 2.505 576 F HA 0.190 4.716 4.527 -0.001 0.000 0.289 576 F C 0.547 176.302 175.800 -0.074 0.000 1.101 576 F CA 0.003 57.966 58.000 -0.062 0.000 1.446 576 F CB 0.699 39.645 39.000 -0.091 0.000 1.123 576 F HN -0.092 nan 8.300 nan 0.000 0.564 577 V N 2.860 122.850 119.914 0.127 0.000 2.275 577 V HA 0.247 4.367 4.120 -0.001 0.000 0.272 577 V C -0.209 175.919 176.094 0.056 0.000 1.028 577 V CA -0.870 61.475 62.300 0.074 0.000 0.810 577 V CB 0.397 32.269 31.823 0.081 0.000 1.043 577 V HN -0.064 nan 8.190 nan 0.000 0.453 578 K N 5.169 125.583 120.400 0.024 0.000 2.110 578 K HA 0.541 4.860 4.320 -0.001 0.000 0.263 578 K C -2.613 174.000 176.600 0.022 0.000 0.975 578 K CA -2.155 54.138 56.287 0.010 0.000 0.895 578 K CB 1.874 34.358 32.500 -0.027 0.000 1.060 578 K HN 0.242 nan 8.250 nan 0.000 0.448 579 P HA 0.034 nan 4.420 nan 0.000 0.272 579 P C 0.239 177.528 177.300 -0.018 0.000 1.240 579 P CA 0.076 63.176 63.100 0.000 0.000 0.791 579 P CB 0.327 31.987 31.700 -0.067 0.000 0.978 580 G N -0.305 108.482 108.800 -0.020 0.000 2.305 580 G HA2 -0.151 3.809 3.960 -0.001 0.000 0.287 580 G HA3 -0.151 3.809 3.960 -0.001 0.000 0.287 580 G C 0.070 174.960 174.900 -0.016 0.000 1.036 580 G CA 0.550 45.636 45.100 -0.023 0.000 0.887 580 G HN 0.892 nan 8.290 nan 0.000 0.505 581 T N -4.831 109.718 114.554 -0.008 0.000 2.903 581 T HA 0.828 5.178 4.350 -0.001 0.000 0.299 581 T C 1.343 176.039 174.700 -0.007 0.000 1.093 581 T CA 0.199 62.294 62.100 -0.009 0.000 1.002 581 T CB 1.805 70.668 68.868 -0.008 0.000 1.127 581 T HN 1.404 nan 8.240 nan 0.000 0.488 582 A N 1.331 124.146 122.820 -0.009 0.000 1.903 582 A HA -0.060 4.260 4.320 -0.001 0.000 0.219 582 A C 2.142 179.725 177.584 -0.002 0.000 1.191 582 A CA 1.991 54.026 52.037 -0.004 0.000 0.638 582 A CB -1.111 17.888 19.000 -0.001 0.000 0.823 582 A HN 0.890 nan 8.150 nan 0.000 0.451 583 L N 0.398 121.612 121.223 -0.014 0.000 2.013 583 L HA -0.209 4.131 4.340 -0.001 0.000 0.212 583 L C 1.965 178.833 176.870 -0.004 0.000 1.073 583 L CA 2.933 57.754 54.840 -0.031 0.000 0.753 583 L CB -1.025 41.005 42.059 -0.050 0.000 0.890 583 L HN 0.549 nan 8.230 nan 0.000 0.432 584 D N -0.932 119.478 120.400 0.017 0.000 2.117 584 D HA -0.136 4.504 4.640 -0.001 0.000 0.198 584 D C 2.123 178.407 176.300 -0.026 0.000 0.982 584 D CA 1.363 55.394 54.000 0.051 0.000 0.828 584 D CB -0.032 40.820 40.800 0.086 0.000 0.967 584 D HN 0.423 nan 8.370 nan 0.000 0.464 585 A N 0.105 122.906 122.820 -0.032 0.000 1.908 585 A HA -0.218 4.102 4.320 -0.001 0.000 0.218 585 A C 2.158 179.695 177.584 -0.079 0.000 1.181 585 A CA 2.051 54.050 52.037 -0.063 0.000 0.627 585 A CB -0.832 18.148 19.000 -0.034 0.000 0.818 585 A HN 0.308 nan 8.150 nan 0.000 0.445 586 E N -0.360 119.827 120.200 -0.022 0.000 2.007 586 E HA -0.059 4.290 4.350 -0.001 0.000 0.194 586 E C 2.108 178.708 176.600 -0.000 0.000 0.999 586 E CA 1.683 58.101 56.400 0.031 0.000 0.811 586 E CB -0.855 28.938 29.700 0.154 0.000 0.762 586 E HN 0.393 nan 8.360 nan 0.000 0.450 587 G N 0.073 108.873 108.800 0.001 0.000 2.450 587 G HA2 -0.264 3.696 3.960 -0.001 0.000 0.220 587 G HA3 -0.264 3.696 3.960 -0.001 0.000 0.220 587 G C 1.652 176.385 174.900 -0.278 0.000 1.130 587 G CA 1.213 46.306 45.100 -0.012 0.000 0.760 587 G HN 0.445 nan 8.290 nan 0.000 0.557 588 A N 1.241 123.686 122.820 -0.626 0.000 1.877 588 A HA 0.264 4.583 4.320 -0.001 0.000 0.216 588 A C 2.853 180.185 177.584 -0.420 0.000 1.186 588 A CA 2.311 53.713 52.037 -1.059 0.000 0.620 588 A CB -0.896 17.590 19.000 -0.857 0.000 0.822 588 A HN 0.810 nan 8.150 nan 0.000 0.443 589 A N -0.215 122.465 122.820 -0.233 0.000 1.902 589 A HA -0.176 4.144 4.320 -0.001 0.000 0.217 589 A C 2.289 179.826 177.584 -0.078 0.000 1.181 589 A CA 1.571 53.537 52.037 -0.119 0.000 0.623 589 A CB -0.444 18.508 19.000 -0.080 0.000 0.818 589 A HN 0.558 nan 8.150 nan 0.000 0.443 590 R N -2.098 118.363 120.500 -0.063 0.000 2.075 590 R HA 0.137 4.476 4.340 -0.001 0.000 0.226 590 R C 1.898 178.205 176.300 0.012 0.000 1.114 590 R CA 0.975 57.065 56.100 -0.017 0.000 0.972 590 R CB -0.336 29.971 30.300 0.010 0.000 0.869 590 R HN 0.713 nan 8.270 nan 0.000 0.437 591 G N 0.170 108.977 108.800 0.012 0.000 2.454 591 G HA2 -0.296 3.663 3.960 -0.001 0.000 0.225 591 G HA3 -0.296 3.663 3.960 -0.001 0.000 0.225 591 G C 0.393 175.380 174.900 0.143 0.000 1.138 591 G CA 0.567 45.714 45.100 0.078 0.000 0.667 591 G HN 0.571 nan 8.290 nan 0.000 0.512 592 T N -0.528 114.096 114.554 0.117 0.000 2.977 592 T HA 0.551 4.901 4.350 -0.001 0.000 0.345 592 T C -0.365 174.381 174.700 0.078 0.000 1.562 592 T CA 0.855 63.034 62.100 0.131 0.000 1.090 592 T CB 1.243 70.214 68.868 0.171 0.000 1.383 592 T HN 0.775 nan 8.240 nan 0.000 0.484 593 S N 1.333 117.074 115.700 0.067 0.000 2.585 593 S HA 0.600 5.069 4.470 -0.001 0.000 0.273 593 S C -0.273 174.274 174.600 -0.087 0.000 1.339 593 S CA -0.485 57.690 58.200 -0.042 0.000 1.028 593 S CB 0.615 63.769 63.200 -0.076 0.000 0.906 593 S HN 0.589 nan 8.310 nan 0.000 0.528 594 V N 2.862 122.624 119.914 -0.253 0.000 2.680 594 V HA 0.456 4.575 4.120 -0.001 0.000 0.309 594 V C -1.569 174.291 176.094 -0.390 0.000 1.052 594 V CA -0.678 61.516 62.300 -0.176 0.000 0.908 594 V CB 1.413 33.189 31.823 -0.079 0.000 1.001 594 V HN 0.812 nan 8.190 nan 0.000 0.431 595 Y N 3.956 124.246 120.300 -0.015 0.000 2.338 595 Y HA 0.632 5.182 4.550 -0.001 0.000 0.328 595 Y C -0.298 175.585 175.900 -0.029 0.000 0.965 595 Y CA -0.834 57.254 58.100 -0.019 0.000 1.208 595 Y CB 1.420 39.870 38.460 -0.017 0.000 1.132 595 Y HN 0.353 nan 8.280 nan 0.000 0.469 596 L N 2.167 123.433 121.223 0.072 0.000 2.431 596 L HA 0.316 4.656 4.340 -0.001 0.000 0.260 596 L C 1.487 178.365 176.870 0.012 0.000 1.098 596 L CA -0.272 54.589 54.840 0.036 0.000 0.800 596 L CB 0.817 42.881 42.059 0.008 0.000 1.210 596 L HN 0.510 nan 8.230 nan 0.000 0.465 597 V N 1.107 120.981 119.914 -0.066 0.000 2.277 597 V HA -0.277 3.843 4.120 -0.001 0.000 0.253 597 V C 1.484 177.447 176.094 -0.219 0.000 1.067 597 V CA 2.356 64.518 62.300 -0.230 0.000 1.047 597 V CB -0.513 30.935 31.823 -0.624 0.000 0.649 597 V HN 1.031 nan 8.190 nan 0.000 0.447 598 D N -2.210 118.090 120.400 -0.166 0.000 2.431 598 D HA 0.182 4.821 4.640 -0.001 0.000 0.213 598 D C 0.436 176.723 176.300 -0.021 0.000 1.130 598 D CA -0.004 53.944 54.000 -0.087 0.000 0.834 598 D CB 0.563 41.359 40.800 -0.007 0.000 0.985 598 D HN 0.385 nan 8.370 nan 0.000 0.504 599 K N -0.243 120.149 120.400 -0.014 0.000 2.578 599 K HA 0.357 4.676 4.320 -0.001 0.000 0.269 599 K C -1.666 174.913 176.600 -0.035 0.000 0.941 599 K CA -0.682 55.594 56.287 -0.018 0.000 0.847 599 K CB 2.790 35.273 32.500 -0.029 0.000 1.397 599 K HN -0.071 nan 8.250 nan 0.000 0.422 600 R N 3.873 124.328 120.500 -0.076 0.000 2.483 600 R HA 0.411 4.751 4.340 -0.001 0.000 0.303 600 R C -1.319 174.868 176.300 -0.188 0.000 0.987 600 R CA -0.672 55.304 56.100 -0.207 0.000 0.881 600 R CB 0.740 30.926 30.300 -0.191 0.000 1.177 600 R HN 0.423 nan 8.270 nan 0.000 0.451 601 I N 4.302 124.740 120.570 -0.221 0.000 2.322 601 I HA 0.129 4.299 4.170 -0.001 0.000 0.292 601 I C -0.048 175.977 176.117 -0.153 0.000 1.060 601 I CA -0.050 61.163 61.300 -0.146 0.000 1.309 601 I CB 1.044 38.986 38.000 -0.097 0.000 1.415 601 I HN 0.486 nan 8.210 nan 0.000 0.492 602 D N 6.106 126.464 120.400 -0.069 0.000 2.345 602 D HA 0.090 4.730 4.640 -0.001 0.000 0.247 602 D C 0.978 177.355 176.300 0.128 0.000 1.108 602 D CA -0.130 53.890 54.000 0.033 0.000 0.894 602 D CB 1.401 42.292 40.800 0.151 0.000 1.203 602 D HN 0.513 nan 8.370 nan 0.000 0.430 603 M N 1.605 121.283 119.600 0.130 0.000 2.288 603 M HA -0.038 4.442 4.480 -0.001 0.000 0.266 603 M C -0.544 175.942 176.300 0.311 0.000 1.072 603 M CA 1.170 56.575 55.300 0.175 0.000 1.132 603 M CB 0.316 32.983 32.600 0.112 0.000 1.386 603 M HN 0.169 nan 8.290 nan 0.000 0.432 604 L N -0.633 120.721 121.223 0.217 0.000 2.371 604 L HA 0.570 4.909 4.340 -0.001 0.000 0.262 604 L C -2.328 174.371 176.870 -0.285 0.000 1.006 604 L CA -2.199 52.585 54.840 -0.093 0.000 0.818 604 L CB 1.124 43.130 42.059 -0.089 0.000 1.354 604 L HN -0.131 nan 8.230 nan 0.000 0.415 605 P HA 0.165 nan 4.420 nan 0.000 0.266 605 P C 0.817 178.008 177.300 -0.181 0.000 1.193 605 P CA 0.162 62.941 63.100 -0.534 0.000 0.770 605 P CB 0.441 31.828 31.700 -0.523 0.000 0.836 606 M N 1.656 121.227 119.600 -0.048 0.000 2.213 606 M HA -0.125 4.354 4.480 -0.001 0.000 0.263 606 M C 1.879 178.158 176.300 -0.035 0.000 1.062 606 M CA 1.482 56.776 55.300 -0.012 0.000 1.105 606 M CB -0.545 32.078 32.600 0.039 0.000 1.385 606 M HN 0.402 nan 8.290 nan 0.000 0.417 607 L N 0.819 122.015 121.223 -0.046 0.000 2.129 607 L HA -0.226 4.114 4.340 -0.001 0.000 0.212 607 L C 1.915 178.691 176.870 -0.157 0.000 1.087 607 L CA 1.879 56.694 54.840 -0.041 0.000 0.757 607 L CB -0.362 41.629 42.059 -0.114 0.000 0.896 607 L HN 0.392 nan 8.230 nan 0.000 0.434 608 L N -1.300 119.787 121.223 -0.227 0.000 2.121 608 L HA 0.031 4.370 4.340 -0.001 0.000 0.200 608 L C 2.643 179.360 176.870 -0.255 0.000 1.077 608 L CA 0.985 55.619 54.840 -0.342 0.000 0.766 608 L CB -1.068 40.793 42.059 -0.329 0.000 0.931 608 L HN 0.241 nan 8.230 nan 0.000 0.452 609 G N -0.350 108.353 108.800 -0.162 0.000 2.394 609 G HA2 -0.221 3.739 3.960 -0.001 0.000 0.215 609 G HA3 -0.221 3.739 3.960 -0.001 0.000 0.215 609 G C 1.713 176.565 174.900 -0.079 0.000 1.165 609 G CA 1.318 46.355 45.100 -0.106 0.000 0.784 609 G HN 0.432 nan 8.290 nan 0.000 0.535 610 T N -2.705 111.810 114.554 -0.064 0.000 2.939 610 T HA 0.045 4.394 4.350 -0.001 0.000 0.254 610 T C 1.703 176.362 174.700 -0.068 0.000 1.041 610 T CA 1.475 63.547 62.100 -0.047 0.000 1.142 610 T CB 0.155 69.008 68.868 -0.025 0.000 0.874 610 T HN 0.125 nan 8.240 nan 0.000 0.452 611 D N 0.972 121.323 120.400 -0.081 0.000 2.589 611 D HA 0.222 4.861 4.640 -0.001 0.000 0.262 611 D C 2.141 178.354 176.300 -0.144 0.000 1.410 611 D CA 0.313 54.262 54.000 -0.086 0.000 1.044 611 D CB -0.376 40.408 40.800 -0.026 0.000 1.016 611 D HN 0.274 nan 8.370 nan 0.000 0.349 612 L N 0.326 121.401 121.223 -0.247 0.000 2.017 612 L HA -0.157 4.183 4.340 -0.001 0.000 0.208 612 L C 2.873 179.422 176.870 -0.535 0.000 1.073 612 L CA 1.055 55.626 54.840 -0.449 0.000 0.745 612 L CB -0.386 41.184 42.059 -0.815 0.000 0.894 612 L HN 0.276 nan 8.230 nan 0.000 0.432 613 C N -1.168 117.799 119.300 -0.555 0.000 2.450 613 C HA -0.042 4.418 4.460 -0.001 0.000 0.279 613 C C 1.936 176.829 174.990 -0.162 0.000 1.335 613 C CA -0.352 58.435 59.018 -0.385 0.000 1.749 613 C CB -0.538 26.998 27.740 -0.339 0.000 1.963 613 C HN 0.447 nan 8.230 nan 0.000 0.501 614 S N 0.757 116.374 115.700 -0.138 0.000 2.558 614 S HA 0.118 4.588 4.470 -0.001 0.000 0.293 614 S C 0.023 174.596 174.600 -0.046 0.000 1.292 614 S CA -0.074 58.082 58.200 -0.073 0.000 1.063 614 S CB 0.062 63.221 63.200 -0.069 0.000 0.831 614 S HN 0.462 nan 8.310 nan 0.000 0.499 615 L N 4.940 126.149 121.223 -0.023 0.000 2.583 615 L HA 0.226 4.566 4.340 -0.001 0.000 0.239 615 L C 0.717 177.561 176.870 -0.043 0.000 1.347 615 L CA -0.282 54.550 54.840 -0.012 0.000 1.246 615 L CB -0.621 41.444 42.059 0.010 0.000 1.496 615 L HN 0.584 nan 8.230 nan 0.000 0.413 616 K N 2.302 122.678 120.400 -0.041 0.000 2.414 616 K HA 0.098 4.418 4.320 -0.001 0.000 0.272 616 K C -2.053 174.492 176.600 -0.091 0.000 0.993 616 K CA -1.311 54.945 56.287 -0.053 0.000 0.964 616 K CB 0.231 32.718 32.500 -0.023 0.000 0.925 616 K HN 0.076 nan 8.250 nan 0.000 0.487 617 P HA -0.088 nan 4.420 nan 0.000 0.268 617 P C -0.924 176.248 177.300 -0.214 0.000 1.204 617 P CA 0.327 63.193 63.100 -0.390 0.000 0.768 617 P CB 0.161 31.535 31.700 -0.542 0.000 0.842 618 Y N -1.346 118.925 120.300 -0.049 0.000 4.490 618 Y HA -0.197 4.353 4.550 -0.000 0.000 0.233 618 Y C 0.058 175.943 175.900 -0.025 0.000 1.101 618 Y CA 0.014 58.091 58.100 -0.038 0.000 2.010 618 Y CB -2.461 35.975 38.460 -0.040 0.000 1.622 618 Y HN 0.106 nan 8.280 nan 0.000 0.675 619 V N -0.532 119.423 119.914 0.067 0.000 2.686 619 V HA 0.369 4.488 4.120 -0.001 0.000 0.306 619 V C -0.076 176.041 176.094 0.039 0.000 1.065 619 V CA -1.481 60.852 62.300 0.055 0.000 0.894 619 V CB 2.028 33.885 31.823 0.056 0.000 1.004 619 V HN -0.037 nan 8.190 nan 0.000 0.424 620 D N 3.959 124.383 120.400 0.040 0.000 2.472 620 D HA 0.378 5.018 4.640 -0.001 0.000 0.237 620 D C 0.101 176.461 176.300 0.099 0.000 1.141 620 D CA 0.375 54.406 54.000 0.051 0.000 0.875 620 D CB 0.461 41.276 40.800 0.026 0.000 1.192 620 D HN 0.286 nan 8.370 nan 0.000 0.450 621 R N 1.449 122.029 120.500 0.134 0.000 2.536 621 R HA 0.228 4.567 4.340 -0.001 0.000 0.269 621 R C -0.858 175.621 176.300 0.298 0.000 1.113 621 R CA -0.726 55.483 56.100 0.182 0.000 0.948 621 R CB 0.777 31.141 30.300 0.106 0.000 1.237 621 R HN 0.230 nan 8.270 nan 0.000 0.441 622 F N 1.210 121.282 119.950 0.204 0.000 2.545 622 F HA 0.491 5.019 4.527 0.001 0.000 0.348 622 F C 0.979 176.838 175.800 0.099 0.000 1.163 622 F CA -0.325 57.740 58.000 0.109 0.000 1.331 622 F CB 0.544 39.568 39.000 0.040 0.000 1.138 622 F HN 0.598 nan 8.300 nan 0.000 0.602 623 A N 2.296 125.263 122.820 0.244 0.000 2.609 623 A HA 0.670 4.989 4.320 -0.001 0.000 0.291 623 A C -1.986 175.708 177.584 0.183 0.000 1.096 623 A CA -0.559 51.613 52.037 0.225 0.000 0.684 623 A CB 1.234 20.375 19.000 0.234 0.000 1.282 623 A HN 0.370 nan 8.150 nan 0.000 0.412 624 F N 1.637 121.661 119.950 0.123 0.000 2.411 624 F HA 0.658 5.184 4.527 -0.002 0.000 0.352 624 F C 0.090 175.959 175.800 0.114 0.000 1.123 624 F CA -1.046 56.989 58.000 0.058 0.000 1.044 624 F CB 1.682 40.661 39.000 -0.035 0.000 1.135 624 F HN 0.384 nan 8.300 nan 0.000 0.461 625 S N 4.107 120.035 115.700 0.381 0.000 2.473 625 S HA 0.583 5.052 4.470 -0.001 0.000 0.307 625 S C -0.805 173.740 174.600 -0.093 0.000 1.094 625 S CA -0.716 57.542 58.200 0.096 0.000 1.070 625 S CB 1.810 65.077 63.200 0.112 0.000 1.019 625 S HN 0.270 nan 8.310 nan 0.000 0.480 626 V N 4.918 124.657 119.914 -0.293 0.000 2.333 626 V HA 0.376 4.495 4.120 -0.001 0.000 0.274 626 V C -0.434 175.136 176.094 -0.874 0.000 1.028 626 V CA -0.512 61.374 62.300 -0.691 0.000 0.851 626 V CB 0.454 31.826 31.823 -0.753 0.000 1.000 626 V HN 0.718 nan 8.190 nan 0.000 0.456 627 I N 4.573 124.697 120.570 -0.744 0.000 2.330 627 I HA 0.376 4.546 4.170 -0.001 0.000 0.289 627 I C -0.044 175.767 176.117 -0.511 0.000 1.001 627 I CA -0.440 60.597 61.300 -0.438 0.000 1.193 627 I CB 1.188 39.103 38.000 -0.140 0.000 1.345 627 I HN 0.549 nan 8.210 nan 0.000 0.461 628 W N 3.997 125.258 121.300 -0.064 0.000 2.298 628 W HA 0.409 5.068 4.660 -0.002 0.000 0.358 628 W C 0.345 176.870 176.519 0.010 0.000 1.241 628 W CA -0.538 56.784 57.345 -0.039 0.000 1.385 628 W CB 1.304 30.769 29.460 0.009 0.000 1.225 628 W HN 0.495 nan 8.180 nan 0.000 0.654 629 E N 1.545 121.910 120.200 0.275 0.000 2.155 629 E HA 0.446 4.795 4.350 -0.001 0.000 0.264 629 E C -1.509 175.213 176.600 0.204 0.000 0.886 629 E CA -0.323 56.198 56.400 0.201 0.000 0.752 629 E CB 0.847 30.619 29.700 0.120 0.000 1.133 629 E HN 0.318 nan 8.360 nan 0.000 0.414 630 L N 4.213 125.559 121.223 0.204 0.000 2.346 630 L HA 0.403 4.743 4.340 -0.001 0.000 0.276 630 L C 0.004 176.967 176.870 0.155 0.000 1.006 630 L CA -1.132 53.796 54.840 0.146 0.000 0.817 630 L CB 1.528 43.657 42.059 0.116 0.000 1.272 630 L HN 0.668 nan 8.230 nan 0.000 0.421 631 D N -0.067 120.395 120.400 0.103 0.000 2.451 631 D HA 0.001 4.640 4.640 -0.001 0.000 0.259 631 D C 0.498 176.867 176.300 0.114 0.000 1.201 631 D CA -0.463 53.599 54.000 0.104 0.000 1.028 631 D CB 0.728 41.566 40.800 0.064 0.000 1.095 631 D HN 0.546 nan 8.370 nan 0.000 0.539 632 D N -0.880 119.586 120.400 0.111 0.000 2.190 632 D HA -0.158 4.482 4.640 -0.001 0.000 0.200 632 D C 1.344 177.673 176.300 0.048 0.000 0.992 632 D CA 1.291 55.352 54.000 0.102 0.000 0.854 632 D CB -0.006 40.843 40.800 0.081 0.000 0.936 632 D HN 0.254 nan 8.370 nan 0.000 0.462 633 S N -1.157 114.560 115.700 0.028 0.000 2.593 633 S HA 0.366 4.835 4.470 -0.001 0.000 0.217 633 S C 0.995 175.578 174.600 -0.027 0.000 0.966 633 S CA 0.512 58.711 58.200 -0.002 0.000 0.914 633 S CB 0.383 63.581 63.200 -0.003 0.000 0.776 633 S HN 0.506 nan 8.310 nan 0.000 0.523 634 A N 1.162 123.968 122.820 -0.024 0.000 3.031 634 A HA -0.150 4.170 4.320 -0.001 0.000 0.244 634 A C 0.182 177.717 177.584 -0.083 0.000 1.341 634 A CA 0.181 52.175 52.037 -0.072 0.000 0.943 634 A CB -2.193 16.734 19.000 -0.122 0.000 1.122 634 A HN 0.471 nan 8.150 nan 0.000 0.760 635 N N -0.294 118.385 118.700 -0.035 0.000 2.493 635 N HA 0.564 5.303 4.740 -0.001 0.000 0.275 635 N C 0.091 175.600 175.510 -0.002 0.000 1.186 635 N CA -0.045 52.990 53.050 -0.025 0.000 0.978 635 N CB 0.659 39.145 38.487 -0.002 0.000 1.184 635 N HN 0.498 nan 8.380 nan 0.000 0.487 636 I N 1.789 122.368 120.570 0.014 0.000 2.312 636 I HA 0.079 4.249 4.170 -0.001 0.000 0.291 636 I C 1.257 177.427 176.117 0.089 0.000 1.031 636 I CA -0.340 61.003 61.300 0.071 0.000 1.293 636 I CB 1.131 39.195 38.000 0.107 0.000 1.403 636 I HN 0.228 nan 8.210 nan 0.000 0.484 637 V N 5.769 125.745 119.914 0.104 0.000 2.825 637 V HA 0.009 4.129 4.120 -0.001 0.000 0.246 637 V C 0.341 176.482 176.094 0.078 0.000 1.068 637 V CA 1.080 63.428 62.300 0.080 0.000 1.088 637 V CB -0.507 31.361 31.823 0.075 0.000 0.733 637 V HN 1.011 nan 8.190 nan 0.000 0.468 638 N N -1.275 117.484 118.700 0.099 0.000 3.378 638 N HA 0.531 5.271 4.740 -0.001 0.000 0.294 638 N C -1.396 174.149 175.510 0.058 0.000 1.544 638 N CA -0.442 52.649 53.050 0.068 0.000 0.872 638 N CB 2.066 40.571 38.487 0.031 0.000 1.670 638 N HN -0.162 nan 8.380 nan 0.000 0.551 639 V N -1.315 118.556 119.914 -0.072 0.000 2.969 639 V HA 0.662 4.782 4.120 -0.001 0.000 0.304 639 V C -1.285 174.540 176.094 -0.448 0.000 1.192 639 V CA -0.705 61.388 62.300 -0.345 0.000 0.962 639 V CB 1.495 33.072 31.823 -0.410 0.000 1.045 639 V HN 0.865 nan 8.190 nan 0.000 0.428 640 N N 1.265 119.568 118.700 -0.661 0.000 2.242 640 N HA 0.841 5.581 4.740 -0.001 0.000 0.292 640 N C -1.737 173.326 175.510 -0.745 0.000 1.125 640 N CA -0.464 52.285 53.050 -0.501 0.000 0.783 640 N CB 2.334 40.692 38.487 -0.214 0.000 1.558 640 N HN 0.618 nan 8.380 nan 0.000 0.472 641 F N 1.856 121.715 119.950 -0.152 0.000 2.520 641 F HA 0.646 5.170 4.527 -0.004 0.000 0.322 641 F C -0.039 175.778 175.800 0.029 0.000 1.103 641 F CA -0.890 57.017 58.000 -0.155 0.000 0.926 641 F CB 1.508 40.364 39.000 -0.241 0.000 1.154 641 F HN 0.139 nan 8.300 nan 0.000 0.453 642 M N 1.632 121.415 119.600 0.305 0.000 2.333 642 M HA 0.433 4.912 4.480 -0.001 0.000 0.286 642 M C -1.822 174.587 176.300 0.181 0.000 1.113 642 M CA -0.910 54.526 55.300 0.226 0.000 0.959 642 M CB 2.177 34.828 32.600 0.085 0.000 1.776 642 M HN 0.378 nan 8.290 nan 0.000 0.492 643 K N 2.819 123.056 120.400 -0.271 0.000 2.451 643 K HA 0.352 4.672 4.320 -0.001 0.000 0.280 643 K C 0.032 176.482 176.600 -0.249 0.000 1.020 643 K CA 0.367 56.325 56.287 -0.547 0.000 1.008 643 K CB 0.861 32.691 32.500 -1.116 0.000 0.917 643 K HN 0.945 nan 8.250 nan 0.000 0.478 644 S N 0.009 115.613 115.700 -0.160 0.000 2.661 644 S HA 0.602 5.072 4.470 -0.001 0.000 0.285 644 S C -0.418 174.163 174.600 -0.031 0.000 1.138 644 S CA -1.033 57.136 58.200 -0.051 0.000 0.855 644 S CB 1.448 64.689 63.200 0.068 0.000 1.136 644 S HN 0.187 nan 8.310 nan 0.000 0.484 645 V N 1.490 121.429 119.914 0.042 0.000 2.630 645 V HA 0.795 4.915 4.120 -0.001 0.000 0.305 645 V C -0.030 176.112 176.094 0.079 0.000 1.046 645 V CA -0.720 61.675 62.300 0.158 0.000 0.934 645 V CB 0.795 32.729 31.823 0.185 0.000 1.003 645 V HN 1.057 nan 8.190 nan 0.000 0.451 646 I N 0.623 121.238 120.570 0.075 0.000 3.195 646 I HA 0.809 4.979 4.170 -0.001 0.000 0.313 646 I C -0.833 175.272 176.117 -0.020 0.000 1.237 646 I CA -1.180 60.104 61.300 -0.027 0.000 0.963 646 I CB 2.578 40.504 38.000 -0.123 0.000 1.278 646 I HN 0.585 nan 8.210 nan 0.000 0.460 647 R N 2.198 122.656 120.500 -0.070 0.000 2.569 647 R HA 0.391 4.731 4.340 -0.001 0.000 0.293 647 R C -1.197 175.035 176.300 -0.113 0.000 1.186 647 R CA -0.316 55.748 56.100 -0.061 0.000 0.956 647 R CB 1.701 31.985 30.300 -0.026 0.000 1.196 647 R HN 0.896 nan 8.270 nan 0.000 0.444 648 S N 2.535 118.150 115.700 -0.142 0.000 2.525 648 S HA 0.065 4.535 4.470 -0.001 0.000 0.285 648 S C 1.048 175.470 174.600 -0.298 0.000 1.283 648 S CA -0.264 57.819 58.200 -0.194 0.000 1.072 648 S CB 0.736 63.821 63.200 -0.191 0.000 0.867 648 S HN 0.609 nan 8.310 nan 0.000 0.492 649 R N 2.959 123.307 120.500 -0.254 0.000 2.075 649 R HA 0.235 4.575 4.340 -0.001 0.000 0.232 649 R C 0.335 176.310 176.300 -0.541 0.000 1.126 649 R CA 1.332 57.256 56.100 -0.293 0.000 0.963 649 R CB -0.073 30.160 30.300 -0.112 0.000 0.858 649 R HN 0.738 nan 8.270 nan 0.000 0.435 650 E N -1.642 118.268 120.200 -0.484 0.000 2.366 650 E HA 0.555 4.905 4.350 -0.001 0.000 0.278 650 E C -1.550 174.687 176.600 -0.605 0.000 0.923 650 E CA -0.814 55.199 56.400 -0.646 0.000 0.761 650 E CB 2.273 31.481 29.700 -0.819 0.000 1.231 650 E HN 0.057 nan 8.360 nan 0.000 0.443 651 A N 2.921 125.414 122.820 -0.546 0.000 2.322 651 A HA 0.589 4.909 4.320 -0.001 0.000 0.327 651 A C -1.017 176.343 177.584 -0.373 0.000 1.394 651 A CA -0.448 51.372 52.037 -0.362 0.000 0.921 651 A CB -0.404 18.473 19.000 -0.206 0.000 1.153 651 A HN 0.425 nan 8.150 nan 0.000 0.523 652 F N 1.766 121.674 119.950 -0.069 0.000 2.397 652 F HA 0.474 5.001 4.527 -0.001 0.000 0.331 652 F C 1.331 177.068 175.800 -0.104 0.000 1.090 652 F CA -0.246 57.719 58.000 -0.059 0.000 1.065 652 F CB 1.697 40.671 39.000 -0.043 0.000 1.184 652 F HN 0.598 nan 8.300 nan 0.000 0.499 653 S N 1.237 117.008 115.700 0.118 0.000 2.624 653 S HA 0.175 4.645 4.470 -0.001 0.000 0.263 653 S C 0.780 175.400 174.600 0.034 0.000 1.287 653 S CA -0.564 57.637 58.200 0.002 0.000 0.990 653 S CB 0.348 63.570 63.200 0.036 0.000 0.950 653 S HN 0.648 nan 8.310 nan 0.000 0.561 654 Y N 0.148 120.484 120.300 0.060 0.000 2.151 654 Y HA -0.199 4.350 4.550 -0.001 0.000 0.284 654 Y C 2.841 178.743 175.900 0.003 0.000 1.166 654 Y CA 1.961 60.076 58.100 0.024 0.000 1.163 654 Y CB -0.217 38.251 38.460 0.013 0.000 0.974 654 Y HN 0.824 nan 8.280 nan 0.000 0.511 655 E N 0.227 120.532 120.200 0.175 0.000 2.051 655 E HA -0.264 4.085 4.350 -0.001 0.000 0.192 655 E C 2.107 178.742 176.600 0.059 0.000 0.991 655 E CA 1.269 57.725 56.400 0.093 0.000 0.799 655 E CB -0.096 29.651 29.700 0.078 0.000 0.748 655 E HN 0.558 nan 8.360 nan 0.000 0.449 656 Q N -0.198 119.651 119.800 0.083 0.000 2.112 656 Q HA -0.220 4.120 4.340 -0.001 0.000 0.206 656 Q C 2.155 178.129 176.000 -0.043 0.000 0.987 656 Q CA 1.486 57.347 55.803 0.096 0.000 0.858 656 Q CB -0.191 28.682 28.738 0.225 0.000 0.905 656 Q HN 0.313 nan 8.270 nan 0.000 0.420 657 A N 0.539 123.273 122.820 -0.144 0.000 1.898 657 A HA -0.258 4.062 4.320 -0.001 0.000 0.216 657 A C 2.029 179.482 177.584 -0.218 0.000 1.181 657 A CA 1.599 53.388 52.037 -0.414 0.000 0.620 657 A CB -0.529 18.296 19.000 -0.292 0.000 0.819 657 A HN 0.238 nan 8.150 nan 0.000 0.442 658 Q N -0.450 119.301 119.800 -0.081 0.000 2.002 658 Q HA -0.168 4.172 4.340 -0.001 0.000 0.204 658 Q C 1.838 177.801 176.000 -0.062 0.000 0.988 658 Q CA 1.777 57.547 55.803 -0.054 0.000 0.843 658 Q CB -0.656 28.075 28.738 -0.012 0.000 0.908 658 Q HN 0.446 nan 8.270 nan 0.000 0.420 659 L N 0.377 121.574 121.223 -0.044 0.000 1.997 659 L HA -0.250 4.089 4.340 -0.001 0.000 0.216 659 L C 2.537 179.377 176.870 -0.049 0.000 1.074 659 L CA 2.364 57.187 54.840 -0.029 0.000 0.763 659 L CB -0.828 41.231 42.059 -0.001 0.000 0.890 659 L HN 0.261 nan 8.230 nan 0.000 0.434 660 R N -0.470 119.972 120.500 -0.097 0.000 2.080 660 R HA -0.185 4.155 4.340 -0.001 0.000 0.236 660 R C 2.350 178.602 176.300 -0.079 0.000 1.137 660 R CA 1.875 57.919 56.100 -0.094 0.000 0.943 660 R CB -0.359 29.826 30.300 -0.193 0.000 0.846 660 R HN 0.341 nan 8.270 nan 0.000 0.431 661 I N 0.782 121.286 120.570 -0.109 0.000 2.226 661 I HA -0.270 3.899 4.170 -0.001 0.000 0.245 661 I C 1.211 177.300 176.117 -0.047 0.000 1.100 661 I CA 1.322 62.574 61.300 -0.080 0.000 1.374 661 I CB -0.333 37.612 38.000 -0.092 0.000 1.057 661 I HN 0.229 nan 8.210 nan 0.000 0.413 662 D N 0.293 120.668 120.400 -0.042 0.000 2.363 662 D HA -0.080 4.560 4.640 -0.001 0.000 0.226 662 D C 0.391 176.682 176.300 -0.015 0.000 1.020 662 D CA 0.697 54.682 54.000 -0.025 0.000 0.892 662 D CB -0.409 40.378 40.800 -0.022 0.000 0.900 662 D HN 0.262 nan 8.370 nan 0.000 0.531 663 D N 0.573 120.964 120.400 -0.014 0.000 2.441 663 D HA 0.070 4.709 4.640 -0.001 0.000 0.221 663 D C 0.921 177.222 176.300 0.002 0.000 1.156 663 D CA -0.214 53.785 54.000 -0.002 0.000 0.896 663 D CB 0.533 41.335 40.800 0.003 0.000 1.028 663 D HN -0.220 nan 8.370 nan 0.000 0.509 664 K N 1.050 121.452 120.400 0.004 0.000 2.360 664 K HA -0.110 4.209 4.320 -0.001 0.000 0.201 664 K C 1.907 178.514 176.600 0.013 0.000 1.046 664 K CA 1.332 57.624 56.287 0.007 0.000 0.945 664 K CB 0.093 32.597 32.500 0.007 0.000 0.750 664 K HN 0.555 nan 8.250 nan 0.000 0.464 665 T N -1.447 113.115 114.554 0.014 0.000 2.821 665 T HA -0.150 4.199 4.350 -0.001 0.000 0.267 665 T C 0.947 175.660 174.700 0.022 0.000 1.046 665 T CA 0.585 62.696 62.100 0.018 0.000 1.139 665 T CB -0.058 68.821 68.868 0.018 0.000 0.871 665 T HN 0.113 nan 8.240 nan 0.000 0.454 666 Q N 1.988 121.802 119.800 0.023 0.000 2.307 666 Q HA 0.362 4.701 4.340 -0.001 0.000 0.259 666 Q C -0.808 175.209 176.000 0.029 0.000 0.998 666 Q CA -0.112 55.709 55.803 0.030 0.000 0.923 666 Q CB 0.482 29.240 28.738 0.033 0.000 1.196 666 Q HN 0.526 nan 8.270 nan 0.000 0.416 667 N N 1.975 120.696 118.700 0.035 0.000 2.588 667 N HA 0.032 4.772 4.740 -0.001 0.000 0.298 667 N C -1.357 174.182 175.510 0.049 0.000 1.718 667 N CA -0.238 52.836 53.050 0.040 0.000 0.888 667 N CB 0.722 39.230 38.487 0.035 0.000 1.389 667 N HN 0.550 nan 8.380 nan 0.000 0.491 668 D N -0.439 119.994 120.400 0.054 0.000 2.423 668 D HA 0.025 4.665 4.640 -0.001 0.000 0.255 668 D C 0.683 177.029 176.300 0.076 0.000 1.174 668 D CA -0.431 53.606 54.000 0.062 0.000 1.008 668 D CB 1.605 42.444 40.800 0.065 0.000 1.101 668 D HN 0.112 nan 8.370 nan 0.000 0.516 669 E N -0.807 119.442 120.200 0.081 0.000 2.085 669 E HA -0.227 4.123 4.350 -0.001 0.000 0.194 669 E C 2.038 178.708 176.600 0.118 0.000 0.994 669 E CA 0.948 57.408 56.400 0.101 0.000 0.801 669 E CB -0.052 29.703 29.700 0.091 0.000 0.743 669 E HN 0.471 nan 8.360 nan 0.000 0.453 670 L N 0.590 121.878 121.223 0.109 0.000 2.005 670 L HA -0.099 4.240 4.340 -0.001 0.000 0.207 670 L C 2.241 179.168 176.870 0.094 0.000 1.072 670 L CA 2.296 57.207 54.840 0.118 0.000 0.744 670 L CB -1.045 41.093 42.059 0.132 0.000 0.895 670 L HN 0.044 nan 8.230 nan 0.000 0.433 671 T N 0.332 114.934 114.554 0.080 0.000 2.665 671 T HA -0.226 4.124 4.350 -0.001 0.000 0.268 671 T C 1.990 176.704 174.700 0.024 0.000 1.035 671 T CA 2.094 64.213 62.100 0.032 0.000 1.151 671 T CB -0.303 68.584 68.868 0.032 0.000 0.862 671 T HN 0.253 nan 8.240 nan 0.000 0.438 672 M N 0.980 120.619 119.600 0.065 0.000 2.082 672 M HA -0.062 4.417 4.480 -0.001 0.000 0.258 672 M C 2.818 179.168 176.300 0.082 0.000 1.069 672 M CA 1.783 57.140 55.300 0.095 0.000 1.102 672 M CB -1.826 30.864 32.600 0.150 0.000 1.336 672 M HN 0.438 nan 8.290 nan 0.000 0.404 673 G N -0.216 108.649 108.800 0.108 0.000 2.446 673 G HA2 -0.251 3.709 3.960 -0.001 0.000 0.217 673 G HA3 -0.251 3.709 3.960 -0.001 0.000 0.217 673 G C 1.618 176.438 174.900 -0.133 0.000 1.168 673 G CA 1.030 46.136 45.100 0.010 0.000 0.771 673 G HN 0.399 nan 8.290 nan 0.000 0.551 674 M N -0.033 119.521 119.600 -0.076 0.000 2.080 674 M HA -0.084 4.395 4.480 -0.001 0.000 0.260 674 M C 2.818 179.033 176.300 -0.142 0.000 1.068 674 M CA 1.544 56.776 55.300 -0.113 0.000 1.109 674 M CB -0.294 32.235 32.600 -0.119 0.000 1.342 674 M HN 0.146 nan 8.290 nan 0.000 0.405 675 R N 0.068 120.495 120.500 -0.122 0.000 2.081 675 R HA -0.081 4.258 4.340 -0.001 0.000 0.235 675 R C 2.353 178.534 176.300 -0.199 0.000 1.131 675 R CA 1.473 57.500 56.100 -0.121 0.000 0.960 675 R CB -0.719 29.538 30.300 -0.071 0.000 0.856 675 R HN 0.403 nan 8.270 nan 0.000 0.436 676 A N 1.548 124.168 122.820 -0.334 0.000 1.940 676 A HA -0.156 4.164 4.320 -0.001 0.000 0.219 676 A C 2.236 179.520 177.584 -0.501 0.000 1.176 676 A CA 1.242 52.883 52.037 -0.661 0.000 0.631 676 A CB -0.539 17.559 19.000 -1.504 0.000 0.814 676 A HN 0.171 nan 8.150 nan 0.000 0.446 677 L N -1.314 119.691 121.223 -0.363 0.000 2.017 677 L HA -0.185 4.155 4.340 -0.001 0.000 0.208 677 L C 2.550 179.402 176.870 -0.029 0.000 1.073 677 L CA 1.329 56.023 54.840 -0.244 0.000 0.745 677 L CB -0.521 41.356 42.059 -0.303 0.000 0.894 677 L HN 0.473 nan 8.230 nan 0.000 0.432 678 L N -0.136 121.044 121.223 -0.073 0.000 1.994 678 L HA -0.227 4.113 4.340 -0.001 0.000 0.208 678 L C 2.515 179.360 176.870 -0.042 0.000 1.071 678 L CA 1.851 56.672 54.840 -0.031 0.000 0.745 678 L CB -0.577 41.450 42.059 -0.054 0.000 0.892 678 L HN 0.100 nan 8.230 nan 0.000 0.431 679 K N -0.687 119.661 120.400 -0.087 0.000 2.009 679 K HA -0.191 4.129 4.320 -0.001 0.000 0.210 679 K C 2.117 178.666 176.600 -0.084 0.000 1.049 679 K CA 1.954 58.188 56.287 -0.089 0.000 0.929 679 K CB -0.471 31.961 32.500 -0.113 0.000 0.714 679 K HN 0.344 nan 8.250 nan 0.000 0.440 680 L N 1.094 122.260 121.223 -0.094 0.000 2.042 680 L HA -0.253 4.086 4.340 -0.001 0.000 0.210 680 L C 2.773 179.589 176.870 -0.089 0.000 1.076 680 L CA 1.678 56.481 54.840 -0.062 0.000 0.749 680 L CB -0.752 41.325 42.059 0.031 0.000 0.893 680 L HN 0.321 nan 8.230 nan 0.000 0.432 681 S N -0.748 114.946 115.700 -0.010 0.000 2.382 681 S HA -0.152 4.317 4.470 -0.001 0.000 0.228 681 S C 1.944 176.469 174.600 -0.126 0.000 1.027 681 S CA 1.280 59.415 58.200 -0.110 0.000 0.991 681 S CB -0.775 62.458 63.200 0.055 0.000 0.823 681 S HN 0.167 nan 8.310 nan 0.000 0.469 682 V N 2.048 121.913 119.914 -0.082 0.000 2.407 682 V HA -0.163 3.956 4.120 -0.001 0.000 0.248 682 V C 2.729 178.766 176.094 -0.095 0.000 1.055 682 V CA 2.155 64.406 62.300 -0.081 0.000 1.049 682 V CB -0.662 31.124 31.823 -0.062 0.000 0.662 682 V HN 0.531 nan 8.190 nan 0.000 0.455 683 K N -0.420 119.919 120.400 -0.103 0.000 2.031 683 K HA -0.040 4.280 4.320 -0.001 0.000 0.205 683 K C 2.094 178.614 176.600 -0.133 0.000 1.049 683 K CA 1.162 57.387 56.287 -0.103 0.000 0.939 683 K CB -0.289 32.156 32.500 -0.092 0.000 0.717 683 K HN 0.325 nan 8.250 nan 0.000 0.438 684 L N 1.324 122.433 121.223 -0.190 0.000 2.051 684 L HA -0.280 4.060 4.340 -0.001 0.000 0.214 684 L C 2.601 179.362 176.870 -0.182 0.000 1.076 684 L CA 1.496 56.196 54.840 -0.232 0.000 0.758 684 L CB -0.442 41.389 42.059 -0.380 0.000 0.890 684 L HN 0.218 nan 8.230 nan 0.000 0.433 685 K N -0.132 120.173 120.400 -0.159 0.000 2.103 685 K HA -0.239 4.081 4.320 -0.001 0.000 0.204 685 K C 2.215 178.752 176.600 -0.106 0.000 1.052 685 K CA 1.227 57.438 56.287 -0.128 0.000 0.945 685 K CB 0.056 32.489 32.500 -0.111 0.000 0.722 685 K HN 0.077 nan 8.250 nan 0.000 0.443 686 Q N 1.384 121.126 119.800 -0.096 0.000 2.061 686 Q HA -0.163 4.177 4.340 -0.001 0.000 0.204 686 Q C 1.604 177.556 176.000 -0.079 0.000 0.984 686 Q CA 1.938 57.693 55.803 -0.080 0.000 0.846 686 Q CB 0.044 28.740 28.738 -0.070 0.000 0.902 686 Q HN 0.208 nan 8.270 nan 0.000 0.421 687 K N -0.358 119.990 120.400 -0.087 0.000 2.034 687 K HA -0.209 4.110 4.320 -0.001 0.000 0.214 687 K C 2.218 178.770 176.600 -0.080 0.000 1.051 687 K CA 1.985 58.223 56.287 -0.081 0.000 0.931 687 K CB -0.167 32.277 32.500 -0.093 0.000 0.715 687 K HN 0.184 nan 8.250 nan 0.000 0.446 688 R N 0.339 120.783 120.500 -0.094 0.000 2.148 688 R HA -0.006 4.333 4.340 -0.001 0.000 0.223 688 R C 2.291 178.535 176.300 -0.093 0.000 1.088 688 R CA 0.673 56.716 56.100 -0.095 0.000 0.985 688 R CB -0.112 30.121 30.300 -0.112 0.000 0.880 688 R HN 0.152 nan 8.270 nan 0.000 0.451 689 L N 0.438 121.608 121.223 -0.088 0.000 2.109 689 L HA -0.113 4.227 4.340 -0.001 0.000 0.207 689 L C 1.785 178.609 176.870 -0.076 0.000 1.086 689 L CA 1.301 56.092 54.840 -0.083 0.000 0.760 689 L CB -0.130 41.884 42.059 -0.076 0.000 0.910 689 L HN 0.142 nan 8.230 nan 0.000 0.437 690 E N -0.183 119.977 120.200 -0.068 0.000 2.478 690 E HA -0.093 4.257 4.350 -0.001 0.000 0.198 690 E C 1.655 178.220 176.600 -0.058 0.000 1.046 690 E CA 0.625 56.990 56.400 -0.059 0.000 0.870 690 E CB 0.056 29.726 29.700 -0.051 0.000 0.818 690 E HN 0.443 nan 8.360 nan 0.000 0.527 691 A N -0.026 122.754 122.820 -0.066 0.000 2.345 691 A HA 0.383 4.703 4.320 -0.001 0.000 0.225 691 A C 1.369 178.899 177.584 -0.092 0.000 1.243 691 A CA 0.470 52.467 52.037 -0.066 0.000 0.875 691 A CB 0.042 19.007 19.000 -0.058 0.000 0.929 691 A HN 0.234 nan 8.150 nan 0.000 0.502 692 G N -1.246 107.493 108.800 -0.102 0.000 2.165 692 G HA2 0.155 4.115 3.960 -0.001 0.000 0.226 692 G HA3 0.155 4.115 3.960 -0.001 0.000 0.226 692 G C 0.350 175.148 174.900 -0.171 0.000 1.035 692 G CA 0.181 45.201 45.100 -0.133 0.000 0.744 692 G HN 1.510 nan 8.290 nan 0.000 0.501 693 A N -0.304 122.434 122.820 -0.136 0.000 2.386 693 A HA 0.688 5.007 4.320 -0.001 0.000 0.248 693 A C 0.843 178.361 177.584 -0.110 0.000 1.082 693 A CA -0.080 51.879 52.037 -0.131 0.000 0.789 693 A CB 0.391 19.323 19.000 -0.114 0.000 1.025 693 A HN 0.949 nan 8.150 nan 0.000 0.490 694 L N 2.001 123.174 121.223 -0.084 0.000 2.360 694 L HA 0.098 4.437 4.340 -0.001 0.000 0.276 694 L C 0.619 177.459 176.870 -0.050 0.000 1.121 694 L CA -0.479 54.334 54.840 -0.045 0.000 0.845 694 L CB 0.275 42.346 42.059 0.020 0.000 1.143 694 L HN 0.770 nan 8.230 nan 0.000 0.452 695 N N 4.618 123.286 118.700 -0.053 0.000 2.406 695 N HA 0.113 4.853 4.740 -0.001 0.000 0.265 695 N C -0.358 175.123 175.510 -0.049 0.000 1.203 695 N CA 0.179 53.194 53.050 -0.058 0.000 0.945 695 N CB 0.381 38.830 38.487 -0.063 0.000 1.165 695 N HN 0.508 nan 8.380 nan 0.000 0.485 696 L N 2.934 124.128 121.223 -0.048 0.000 3.141 696 L HA 0.376 4.715 4.340 -0.001 0.000 0.263 696 L C 1.511 178.354 176.870 -0.046 0.000 1.312 696 L CA -0.345 54.472 54.840 -0.037 0.000 1.012 696 L CB 0.180 42.224 42.059 -0.026 0.000 1.408 696 L HN 0.519 nan 8.230 nan 0.000 0.559 697 A N -0.663 122.125 122.820 -0.054 0.000 1.897 697 A HA -0.077 4.243 4.320 -0.001 0.000 0.215 697 A C 1.525 179.078 177.584 -0.051 0.000 1.181 697 A CA 0.781 52.784 52.037 -0.057 0.000 0.620 697 A CB -0.088 18.877 19.000 -0.058 0.000 0.821 697 A HN 0.377 nan 8.150 nan 0.000 0.443 698 S N 0.506 116.176 115.700 -0.050 0.000 2.516 698 S HA 0.250 4.719 4.470 -0.001 0.000 0.282 698 S C -1.154 173.433 174.600 -0.022 0.000 1.286 698 S CA -1.075 57.102 58.200 -0.039 0.000 1.066 698 S CB 0.791 63.957 63.200 -0.056 0.000 0.884 698 S HN 0.246 nan 8.310 nan 0.000 0.491 699 P HA -0.088 nan 4.420 nan 0.000 0.220 699 P C 0.828 178.139 177.300 0.020 0.000 1.148 699 P CA 1.117 64.210 63.100 -0.011 0.000 0.803 699 P CB 0.086 31.775 31.700 -0.019 0.000 0.782 700 E N -0.307 119.918 120.200 0.042 0.000 2.106 700 E HA -0.072 4.277 4.350 -0.001 0.000 0.192 700 E C 2.046 178.730 176.600 0.140 0.000 0.984 700 E CA 0.863 57.319 56.400 0.093 0.000 0.806 700 E CB -0.459 29.313 29.700 0.121 0.000 0.750 700 E HN 0.088 nan 8.360 nan 0.000 0.458 701 V N 1.732 121.687 119.914 0.068 0.000 2.323 701 V HA -0.257 3.863 4.120 -0.001 0.000 0.244 701 V C 2.689 178.843 176.094 0.100 0.000 1.041 701 V CA 2.351 64.697 62.300 0.077 0.000 1.025 701 V CB -0.853 30.966 31.823 -0.007 0.000 0.656 701 V HN 0.347 nan 8.190 nan 0.000 0.451 702 K N -0.353 120.075 120.400 0.046 0.000 2.173 702 K HA -0.231 4.088 4.320 -0.001 0.000 0.207 702 K C 2.188 178.807 176.600 0.032 0.000 1.046 702 K CA 2.027 58.330 56.287 0.027 0.000 0.929 702 K CB -1.358 31.140 32.500 -0.004 0.000 0.720 702 K HN 0.344 nan 8.250 nan 0.000 0.453 703 V N 1.109 121.037 119.914 0.023 0.000 2.490 703 V HA -0.217 3.903 4.120 -0.001 0.000 0.250 703 V C 1.962 177.987 176.094 -0.115 0.000 1.061 703 V CA 1.406 63.671 62.300 -0.057 0.000 1.064 703 V CB -0.705 31.049 31.823 -0.114 0.000 0.670 703 V HN 0.757 nan 8.190 nan 0.000 0.461 704 H N -1.867 117.230 119.070 0.046 0.000 2.543 704 H HA 0.231 4.787 4.556 -0.001 0.000 0.269 704 H C 0.774 176.142 175.328 0.067 0.000 1.005 704 H CA 0.275 56.359 56.048 0.060 0.000 1.146 704 H CB 0.260 30.054 29.762 0.052 0.000 1.353 704 H HN 0.312 nan 8.280 nan 0.000 0.595 705 M N -0.099 119.573 119.600 0.121 0.000 2.792 705 M HA 0.195 4.675 4.480 -0.001 0.000 0.290 705 M C 0.146 176.500 176.300 0.091 0.000 1.155 705 M CA -0.733 54.625 55.300 0.098 0.000 0.781 705 M CB 1.191 33.833 32.600 0.069 0.000 1.741 705 M HN -0.027 nan 8.290 nan 0.000 0.473 706 D N 1.065 121.528 120.400 0.105 0.000 2.371 706 D HA 0.224 4.863 4.640 -0.001 0.000 0.242 706 D C -0.129 176.229 176.300 0.097 0.000 1.218 706 D CA 0.235 54.324 54.000 0.148 0.000 0.945 706 D CB 0.700 41.638 40.800 0.230 0.000 1.137 706 D HN 0.487 nan 8.370 nan 0.000 0.464 707 S N -0.027 115.729 115.700 0.094 0.000 2.449 707 S HA 0.208 4.677 4.470 -0.001 0.000 0.310 707 S C 0.388 175.031 174.600 0.072 0.000 1.096 707 S CA -0.729 57.505 58.200 0.058 0.000 1.095 707 S CB 1.670 64.883 63.200 0.022 0.000 1.007 707 S HN 0.221 nan 8.310 nan 0.000 0.474 708 E N 2.625 122.871 120.200 0.077 0.000 2.502 708 E HA 0.015 4.365 4.350 -0.001 0.000 0.194 708 E C 1.190 177.815 176.600 0.042 0.000 1.062 708 E CA 0.700 57.161 56.400 0.101 0.000 0.867 708 E CB 0.012 29.822 29.700 0.182 0.000 0.888 708 E HN 0.949 nan 8.360 nan 0.000 0.510 709 T N -3.566 111.011 114.554 0.038 0.000 3.014 709 T HA 0.239 4.589 4.350 -0.001 0.000 0.250 709 T C 1.257 175.962 174.700 0.009 0.000 1.060 709 T CA 0.597 62.723 62.100 0.044 0.000 1.040 709 T CB 0.161 69.078 68.868 0.083 0.000 0.971 709 T HN 0.144 nan 8.240 nan 0.000 0.497 710 S N 0.768 116.464 115.700 -0.008 0.000 3.696 710 S HA -0.106 4.364 4.470 -0.001 0.000 0.302 710 S C -0.284 174.288 174.600 -0.047 0.000 1.182 710 S CA 0.374 58.572 58.200 -0.003 0.000 0.857 710 S CB -2.409 60.801 63.200 0.016 0.000 0.960 710 S HN 0.556 nan 8.310 nan 0.000 0.559 711 D N 2.627 122.990 120.400 -0.062 0.000 2.249 711 D HA 0.531 5.170 4.640 -0.001 0.000 0.246 711 D C -1.794 174.372 176.300 -0.224 0.000 1.114 711 D CA -0.956 52.965 54.000 -0.132 0.000 0.854 711 D CB 1.304 42.086 40.800 -0.030 0.000 1.132 711 D HN 0.404 nan 8.370 nan 0.000 0.461 712 P HA 0.105 nan 4.420 nan 0.000 0.271 712 P C -0.408 176.776 177.300 -0.194 0.000 1.216 712 P CA -0.362 62.476 63.100 -0.436 0.000 0.776 712 P CB 0.854 32.056 31.700 -0.830 0.000 0.881 713 N N 1.102 119.738 118.700 -0.107 0.000 2.479 713 N HA 0.051 4.791 4.740 -0.001 0.000 0.257 713 N C 0.334 175.824 175.510 -0.034 0.000 1.232 713 N CA -0.059 52.959 53.050 -0.052 0.000 0.920 713 N CB 0.446 38.916 38.487 -0.030 0.000 1.105 713 N HN 0.380 nan 8.380 nan 0.000 0.444 714 E N 0.723 120.916 120.200 -0.010 0.000 2.318 714 E HA 0.083 4.433 4.350 -0.001 0.000 0.265 714 E C 0.707 177.334 176.600 0.045 0.000 1.069 714 E CA -0.378 56.028 56.400 0.011 0.000 0.893 714 E CB 1.315 31.025 29.700 0.017 0.000 1.076 714 E HN 0.243 nan 8.360 nan 0.000 0.414 715 V N 1.103 121.057 119.914 0.067 0.000 2.239 715 V HA -0.180 3.939 4.120 -0.001 0.000 0.242 715 V C 1.099 177.347 176.094 0.256 0.000 1.038 715 V CA 1.464 63.852 62.300 0.147 0.000 1.002 715 V CB -0.263 31.632 31.823 0.120 0.000 0.641 715 V HN 0.649 nan 8.190 nan 0.000 0.449 716 E N 1.024 121.337 120.200 0.188 0.000 2.152 716 E HA 0.166 4.516 4.350 -0.001 0.000 0.285 716 E C -0.620 175.984 176.600 0.006 0.000 1.043 716 E CA -0.479 55.965 56.400 0.072 0.000 0.839 716 E CB 0.495 30.223 29.700 0.046 0.000 1.069 716 E HN 0.204 nan 8.360 nan 0.000 0.399 717 I N 3.904 124.451 120.570 -0.037 0.000 2.581 717 I HA 0.005 4.175 4.170 -0.001 0.000 0.285 717 I C 1.025 177.125 176.117 -0.028 0.000 1.129 717 I CA 0.528 61.816 61.300 -0.019 0.000 1.397 717 I CB -0.520 37.472 38.000 -0.013 0.000 1.399 717 I HN 0.512 nan 8.210 nan 0.000 0.537 718 K N 5.453 125.846 120.400 -0.013 0.000 2.237 718 K HA 0.565 4.885 4.320 -0.001 0.000 0.270 718 K C 0.532 177.120 176.600 -0.020 0.000 1.015 718 K CA -0.424 55.856 56.287 -0.012 0.000 0.949 718 K CB -0.015 32.486 32.500 0.003 0.000 0.976 718 K HN 0.742 nan 8.250 nan 0.000 0.472 719 K N 2.074 122.462 120.400 -0.020 0.000 2.382 719 K HA 0.513 4.832 4.320 -0.001 0.000 0.275 719 K C 0.383 176.958 176.600 -0.042 0.000 1.009 719 K CA -0.270 56.002 56.287 -0.026 0.000 0.970 719 K CB -0.198 32.290 32.500 -0.019 0.000 0.934 719 K HN 0.578 nan 8.250 nan 0.000 0.479 720 L N 1.337 122.525 121.223 -0.059 0.000 2.456 720 L HA 0.574 4.913 4.340 -0.001 0.000 0.257 720 L C 0.335 177.152 176.870 -0.088 0.000 1.162 720 L CA -0.771 54.010 54.840 -0.100 0.000 0.808 720 L CB 0.688 42.680 42.059 -0.113 0.000 1.136 720 L HN 0.653 nan 8.230 nan 0.000 0.466 721 L N -0.117 121.034 121.223 -0.120 0.000 2.283 721 L HA 0.491 4.830 4.340 -0.001 0.000 0.259 721 L C 1.104 177.917 176.870 -0.094 0.000 1.027 721 L CA -0.695 54.095 54.840 -0.082 0.000 0.828 721 L CB 1.578 43.608 42.059 -0.050 0.000 1.380 721 L HN 0.712 nan 8.230 nan 0.000 0.425 722 A N 0.084 122.867 122.820 -0.061 0.000 1.948 722 A HA -0.217 4.103 4.320 -0.001 0.000 0.220 722 A C 2.128 179.681 177.584 -0.052 0.000 1.177 722 A CA 2.688 54.692 52.037 -0.055 0.000 0.636 722 A CB -1.158 17.817 19.000 -0.042 0.000 0.815 722 A HN 0.949 nan 8.150 nan 0.000 0.449 723 T N -1.770 112.764 114.554 -0.034 0.000 2.833 723 T HA -0.175 4.175 4.350 -0.001 0.000 0.269 723 T C 1.563 176.262 174.700 -0.002 0.000 1.054 723 T CA 1.550 63.673 62.100 0.039 0.000 1.135 723 T CB -0.676 68.279 68.868 0.146 0.000 0.869 723 T HN 0.457 nan 8.240 nan 0.000 0.466 724 N N 1.444 119.967 118.700 -0.294 0.000 2.069 724 N HA -0.070 4.670 4.740 -0.001 0.000 0.191 724 N C 2.119 177.522 175.510 -0.178 0.000 1.031 724 N CA 1.564 54.292 53.050 -0.536 0.000 0.852 724 N CB -0.800 37.365 38.487 -0.536 0.000 1.018 724 N HN 0.453 nan 8.380 nan 0.000 0.423 725 S N 0.005 115.640 115.700 -0.109 0.000 2.371 725 S HA 0.091 4.561 4.470 -0.001 0.000 0.224 725 S C 1.813 176.422 174.600 0.015 0.000 1.029 725 S CA 0.278 58.447 58.200 -0.052 0.000 0.978 725 S CB -0.373 62.789 63.200 -0.062 0.000 0.833 725 S HN 0.337 nan 8.310 nan 0.000 0.466 726 L N 1.071 122.323 121.223 0.047 0.000 1.997 726 L HA -0.104 4.236 4.340 -0.001 0.000 0.216 726 L C 2.381 179.390 176.870 0.231 0.000 1.074 726 L CA 1.914 56.837 54.840 0.138 0.000 0.763 726 L CB -0.552 41.564 42.059 0.095 0.000 0.890 726 L HN 0.267 nan 8.230 nan 0.000 0.434 727 V N -0.327 119.712 119.914 0.207 0.000 2.407 727 V HA -0.308 3.811 4.120 -0.001 0.000 0.248 727 V C 2.429 178.654 176.094 0.217 0.000 1.055 727 V CA 2.347 64.797 62.300 0.250 0.000 1.049 727 V CB -0.257 31.775 31.823 0.348 0.000 0.662 727 V HN 0.628 nan 8.190 nan 0.000 0.455 728 E N -0.764 119.516 120.200 0.134 0.000 2.028 728 E HA -0.185 4.165 4.350 -0.001 0.000 0.190 728 E C 2.171 178.804 176.600 0.054 0.000 0.984 728 E CA 1.050 57.500 56.400 0.084 0.000 0.800 728 E CB -0.043 29.667 29.700 0.018 0.000 0.758 728 E HN 0.550 nan 8.360 nan 0.000 0.448 729 E N -0.152 120.041 120.200 -0.011 0.000 2.209 729 E HA -0.176 4.174 4.350 -0.001 0.000 0.196 729 E C 1.753 178.203 176.600 -0.250 0.000 0.993 729 E CA 0.874 57.179 56.400 -0.159 0.000 0.819 729 E CB -0.174 29.361 29.700 -0.275 0.000 0.745 729 E HN 0.349 nan 8.360 nan 0.000 0.477 730 F N -0.128 119.811 119.950 -0.018 0.000 2.262 730 F HA -0.060 4.466 4.527 -0.002 0.000 0.292 730 F C 2.277 178.135 175.800 0.097 0.000 1.081 730 F CA 0.409 58.397 58.000 -0.021 0.000 1.355 730 F CB -0.183 38.821 39.000 0.007 0.000 1.069 730 F HN -0.063 nan 8.300 nan 0.000 0.506 731 M N -0.060 119.720 119.600 0.300 0.000 2.088 731 M HA -0.239 4.241 4.480 -0.001 0.000 0.256 731 M C 2.272 178.722 176.300 0.251 0.000 1.071 731 M CA 1.444 56.909 55.300 0.275 0.000 1.097 731 M CB -1.436 31.297 32.600 0.220 0.000 1.315 731 M HN 0.086 nan 8.290 nan 0.000 0.406 732 L N -0.397 120.930 121.223 0.174 0.000 2.013 732 L HA -0.232 4.107 4.340 -0.001 0.000 0.212 732 L C 2.571 179.538 176.870 0.162 0.000 1.073 732 L CA 1.708 56.658 54.840 0.183 0.000 0.753 732 L CB -1.639 40.445 42.059 0.041 0.000 0.890 732 L HN 0.312 nan 8.230 nan 0.000 0.432 733 L N -0.112 121.124 121.223 0.021 0.000 2.017 733 L HA -0.129 4.211 4.340 -0.001 0.000 0.208 733 L C 2.642 179.692 176.870 0.300 0.000 1.073 733 L CA 1.939 56.751 54.840 -0.047 0.000 0.745 733 L CB -0.673 41.071 42.059 -0.526 0.000 0.894 733 L HN 0.209 nan 8.230 nan 0.000 0.432 734 A N -0.538 122.590 122.820 0.514 0.000 1.948 734 A HA -0.262 4.057 4.320 -0.001 0.000 0.220 734 A C 2.125 179.886 177.584 0.295 0.000 1.177 734 A CA 2.082 54.476 52.037 0.594 0.000 0.636 734 A CB -0.806 18.537 19.000 0.573 0.000 0.815 734 A HN 0.605 nan 8.150 nan 0.000 0.449 735 N N -0.014 118.845 118.700 0.265 0.000 2.106 735 N HA -0.089 4.651 4.740 -0.001 0.000 0.188 735 N C 1.715 177.257 175.510 0.055 0.000 1.029 735 N CA 1.554 54.668 53.050 0.107 0.000 0.848 735 N CB -0.435 38.084 38.487 0.053 0.000 1.007 735 N HN 0.577 nan 8.380 nan 0.000 0.423 736 I N 0.958 121.645 120.570 0.195 0.000 2.099 736 I HA -0.271 3.899 4.170 -0.001 0.000 0.239 736 I C 2.084 178.310 176.117 0.183 0.000 1.066 736 I CA 1.085 62.508 61.300 0.206 0.000 1.324 736 I CB -0.305 37.814 38.000 0.199 0.000 1.037 736 I HN 0.043 nan 8.210 nan 0.000 0.401 737 S N 0.192 116.051 115.700 0.265 0.000 2.399 737 S HA -0.124 4.345 4.470 -0.001 0.000 0.231 737 S C 2.021 176.756 174.600 0.225 0.000 1.022 737 S CA 1.161 59.563 58.200 0.336 0.000 0.983 737 S CB -0.314 63.194 63.200 0.515 0.000 0.803 737 S HN 0.241 nan 8.310 nan 0.000 0.480 738 V N 1.975 121.888 119.914 -0.002 0.000 2.379 738 V HA -0.122 3.997 4.120 -0.001 0.000 0.245 738 V C 2.689 178.635 176.094 -0.246 0.000 1.044 738 V CA 1.407 63.472 62.300 -0.392 0.000 1.036 738 V CB -1.311 30.021 31.823 -0.818 0.000 0.664 738 V HN 0.527 nan 8.190 nan 0.000 0.453 739 A N 0.413 123.169 122.820 -0.107 0.000 1.873 739 A HA -0.289 4.031 4.320 -0.001 0.000 0.218 739 A C 2.379 180.001 177.584 0.064 0.000 1.193 739 A CA 2.285 54.296 52.037 -0.043 0.000 0.629 739 A CB -0.550 18.445 19.000 -0.008 0.000 0.826 739 A HN 0.512 nan 8.150 nan 0.000 0.447 740 R N -0.808 119.767 120.500 0.125 0.000 2.080 740 R HA -0.174 4.166 4.340 -0.001 0.000 0.236 740 R C 2.411 178.801 176.300 0.150 0.000 1.137 740 R CA 1.853 58.081 56.100 0.213 0.000 0.943 740 R CB -0.311 30.119 30.300 0.216 0.000 0.846 740 R HN 0.482 nan 8.270 nan 0.000 0.431 741 K N 1.574 121.977 120.400 0.005 0.000 2.009 741 K HA -0.132 4.188 4.320 -0.001 0.000 0.210 741 K C 1.967 178.513 176.600 -0.090 0.000 1.049 741 K CA 1.709 57.925 56.287 -0.119 0.000 0.929 741 K CB -0.412 31.790 32.500 -0.497 0.000 0.714 741 K HN 0.372 nan 8.250 nan 0.000 0.440 742 I N -1.639 118.873 120.570 -0.098 0.000 2.614 742 I HA -0.143 4.026 4.170 -0.001 0.000 0.258 742 I C 2.059 178.290 176.117 0.189 0.000 1.189 742 I CA 1.123 62.446 61.300 0.039 0.000 1.462 742 I CB -0.474 37.510 38.000 -0.027 0.000 1.092 742 I HN 0.090 nan 8.210 nan 0.000 0.442 743 Y N 2.857 123.189 120.300 0.054 0.000 2.153 743 Y HA -0.248 4.303 4.550 0.002 0.000 0.289 743 Y C 2.276 178.250 175.900 0.123 0.000 1.127 743 Y CA 1.895 60.071 58.100 0.126 0.000 1.131 743 Y CB -0.718 37.861 38.460 0.200 0.000 0.995 743 Y HN 0.389 nan 8.280 nan 0.000 0.505 744 D N 0.309 120.670 120.400 -0.065 0.000 2.133 744 D HA -0.244 4.396 4.640 -0.001 0.000 0.192 744 D C 2.047 178.198 176.300 -0.248 0.000 1.001 744 D CA 2.068 55.949 54.000 -0.199 0.000 0.844 744 D CB -0.628 40.145 40.800 -0.045 0.000 0.944 744 D HN 0.418 nan 8.370 nan 0.000 0.447 745 A N -1.385 121.294 122.820 -0.236 0.000 2.015 745 A HA 0.061 4.381 4.320 -0.001 0.000 0.219 745 A C 0.836 177.926 177.584 -0.823 0.000 1.163 745 A CA 0.676 52.394 52.037 -0.532 0.000 0.646 745 A CB -0.343 18.296 19.000 -0.603 0.000 0.806 745 A HN 0.306 nan 8.150 nan 0.000 0.448 746 F N -1.149 118.761 119.950 -0.067 0.000 2.627 746 F HA 0.276 4.806 4.527 0.005 0.000 0.344 746 F C -1.865 173.945 175.800 0.016 0.000 1.505 746 F CA -1.420 56.570 58.000 -0.016 0.000 1.111 746 F CB 1.441 40.450 39.000 0.015 0.000 1.585 746 F HN 0.020 nan 8.300 nan 0.000 0.582 747 P HA -0.199 nan 4.420 nan 0.000 0.221 747 P C 1.161 178.648 177.300 0.312 0.000 1.145 747 P CA 1.379 64.527 63.100 0.081 0.000 0.795 747 P CB 0.432 32.090 31.700 -0.069 0.000 0.775 748 Q N 0.142 120.095 119.800 0.255 0.000 1.993 748 Q HA -0.075 4.264 4.340 -0.001 0.000 0.202 748 Q C 1.495 177.689 176.000 0.324 0.000 0.984 748 Q CA 2.328 58.292 55.803 0.268 0.000 0.837 748 Q CB -1.091 27.771 28.738 0.206 0.000 0.902 748 Q HN 0.415 nan 8.270 nan 0.000 0.423 749 T N -3.409 111.304 114.554 0.265 0.000 3.604 749 T HA 0.610 4.960 4.350 -0.001 0.000 0.305 749 T C -0.102 174.652 174.700 0.091 0.000 0.978 749 T CA -0.011 62.201 62.100 0.187 0.000 0.999 749 T CB 0.179 69.070 68.868 0.039 0.000 1.204 749 T HN 0.246 nan 8.240 nan 0.000 0.476 750 A N 2.113 125.017 122.820 0.140 0.000 2.520 750 A HA 0.599 4.919 4.320 -0.001 0.000 0.245 750 A C 0.431 177.926 177.584 -0.148 0.000 1.072 750 A CA -0.326 51.732 52.037 0.034 0.000 0.761 750 A CB -0.196 18.898 19.000 0.157 0.000 1.004 750 A HN 0.720 nan 8.150 nan 0.000 0.499 751 M N 3.654 123.139 119.600 -0.190 0.000 2.146 751 M HA 0.576 5.056 4.480 -0.001 0.000 0.352 751 M C -0.997 175.102 176.300 -0.334 0.000 1.343 751 M CA 0.667 55.812 55.300 -0.259 0.000 1.115 751 M CB -0.449 32.008 32.600 -0.238 0.000 1.657 751 M HN 0.571 nan 8.290 nan 0.000 0.471 752 L N 3.551 124.468 121.223 -0.510 0.000 2.502 752 L HA 0.684 5.024 4.340 -0.001 0.000 0.253 752 L C -0.789 175.918 176.870 -0.272 0.000 1.070 752 L CA -1.158 53.345 54.840 -0.562 0.000 0.871 752 L CB 2.427 43.819 42.059 -1.111 0.000 1.487 752 L HN 0.611 nan 8.230 nan 0.000 0.408 753 R N 0.969 121.477 120.500 0.013 0.000 2.532 753 R HA 0.587 4.926 4.340 -0.001 0.000 0.297 753 R C -1.370 175.113 176.300 0.306 0.000 0.984 753 R CA -0.625 55.578 56.100 0.172 0.000 0.884 753 R CB 2.032 32.315 30.300 -0.030 0.000 1.182 753 R HN 0.759 nan 8.270 nan 0.000 0.442 754 R N 1.464 122.024 120.500 0.101 0.000 2.892 754 R HA 0.494 4.834 4.340 -0.001 0.000 0.265 754 R C -1.376 174.783 176.300 -0.234 0.000 1.025 754 R CA -0.991 55.029 56.100 -0.134 0.000 0.982 754 R CB 1.679 31.617 30.300 -0.604 0.000 1.185 754 R HN 0.561 nan 8.270 nan 0.000 0.484 755 H N 0.352 119.151 119.070 -0.452 0.000 3.181 755 H HA 0.462 5.017 4.556 -0.001 0.000 0.331 755 H C -1.388 173.772 175.328 -0.281 0.000 0.988 755 H CA -0.127 55.623 56.048 -0.496 0.000 1.449 755 H CB 1.549 30.674 29.762 -1.061 0.000 1.749 755 H HN 0.958 nan 8.280 nan 0.000 0.501 756 A N 3.642 126.151 122.820 -0.519 0.000 2.407 756 A HA 0.643 4.962 4.320 -0.001 0.000 0.248 756 A C 0.296 177.483 177.584 -0.661 0.000 1.082 756 A CA -0.030 51.748 52.037 -0.432 0.000 0.785 756 A CB -0.080 18.742 19.000 -0.296 0.000 1.020 756 A HN 0.946 nan 8.150 nan 0.000 0.489 757 A N 3.825 126.315 122.820 -0.551 0.000 2.477 757 A HA 0.550 4.869 4.320 -0.001 0.000 0.246 757 A C -1.840 175.417 177.584 -0.545 0.000 1.078 757 A CA -1.081 50.408 52.037 -0.913 0.000 0.770 757 A CB -0.488 18.246 19.000 -0.444 0.000 1.011 757 A HN 0.711 nan 8.150 nan 0.000 0.494 758 P HA 0.256 nan 4.420 nan 0.000 0.272 758 P C -2.695 174.558 177.300 -0.078 0.000 1.223 758 P CA -1.143 61.830 63.100 -0.211 0.000 0.784 758 P CB -0.120 31.537 31.700 -0.072 0.000 0.923 759 P HA 0.029 nan 4.420 nan 0.000 0.271 759 P C 1.027 178.382 177.300 0.091 0.000 1.216 759 P CA -0.028 63.072 63.100 0.001 0.000 0.771 759 P CB 0.306 31.995 31.700 -0.018 0.000 0.864 760 S N 1.131 116.906 115.700 0.124 0.000 2.462 760 S HA -0.172 4.297 4.470 -0.001 0.000 0.243 760 S C 1.719 176.436 174.600 0.194 0.000 1.003 760 S CA 1.581 59.907 58.200 0.210 0.000 0.970 760 S CB -1.381 61.886 63.200 0.112 0.000 0.762 760 S HN 0.506 nan 8.310 nan 0.000 0.510 761 T N 2.794 117.404 114.554 0.093 0.000 2.833 761 T HA -0.052 4.297 4.350 -0.001 0.000 0.269 761 T C 1.623 176.323 174.700 -0.000 0.000 1.054 761 T CA 1.444 63.573 62.100 0.049 0.000 1.135 761 T CB -0.603 68.276 68.868 0.018 0.000 0.869 761 T HN 0.488 nan 8.240 nan 0.000 0.466 762 N N 0.763 119.413 118.700 -0.084 0.000 2.272 762 N HA -0.036 4.703 4.740 -0.001 0.000 0.185 762 N C 1.087 176.354 175.510 -0.404 0.000 1.014 762 N CA 1.040 53.907 53.050 -0.305 0.000 0.870 762 N CB -0.392 37.772 38.487 -0.538 0.000 0.975 762 N HN 0.464 nan 8.380 nan 0.000 0.433 763 F N 0.404 120.357 119.950 0.006 0.000 2.776 763 F HA 0.195 4.721 4.527 -0.001 0.000 0.300 763 F C 2.052 177.866 175.800 0.024 0.000 1.116 763 F CA -0.232 57.776 58.000 0.013 0.000 1.375 763 F CB -0.030 38.976 39.000 0.011 0.000 1.109 763 F HN 0.009 nan 8.300 nan 0.000 0.585 764 E N 1.339 121.628 120.200 0.149 0.000 2.055 764 E HA -0.256 4.094 4.350 -0.001 0.000 0.209 764 E C 2.214 178.879 176.600 0.108 0.000 1.036 764 E CA 2.054 58.524 56.400 0.117 0.000 0.849 764 E CB -0.130 29.619 29.700 0.082 0.000 0.767 764 E HN 0.213 nan 8.360 nan 0.000 0.461 765 I N 0.675 121.291 120.570 0.077 0.000 2.335 765 I HA -0.231 3.938 4.170 -0.001 0.000 0.251 765 I C 2.430 178.570 176.117 0.038 0.000 1.129 765 I CA 0.773 62.111 61.300 0.063 0.000 1.402 765 I CB -0.816 37.202 38.000 0.031 0.000 1.069 765 I HN 0.312 nan 8.210 nan 0.000 0.424 766 L N 1.214 122.486 121.223 0.083 0.000 2.023 766 L HA -0.102 4.238 4.340 -0.001 0.000 0.205 766 L C 2.167 179.117 176.870 0.133 0.000 1.073 766 L CA 1.787 56.699 54.840 0.120 0.000 0.745 766 L CB -0.978 41.193 42.059 0.187 0.000 0.900 766 L HN 0.234 nan 8.230 nan 0.000 0.435 767 N N -0.408 118.375 118.700 0.140 0.000 2.309 767 N HA -0.174 4.565 4.740 -0.001 0.000 0.182 767 N C 1.541 177.125 175.510 0.124 0.000 1.018 767 N CA 1.197 54.317 53.050 0.118 0.000 0.876 767 N CB 0.041 38.589 38.487 0.102 0.000 0.972 767 N HN 0.556 nan 8.380 nan 0.000 0.434 768 E N 0.516 120.795 120.200 0.132 0.000 2.112 768 E HA 0.012 4.362 4.350 -0.001 0.000 0.190 768 E C 1.902 178.625 176.600 0.205 0.000 0.979 768 E CA 0.605 57.115 56.400 0.184 0.000 0.814 768 E CB 0.043 29.879 29.700 0.226 0.000 0.762 768 E HN 0.302 nan 8.360 nan 0.000 0.460 769 M N 0.384 119.975 119.600 -0.014 0.000 2.132 769 M HA -0.118 4.361 4.480 -0.001 0.000 0.263 769 M C 2.172 178.613 176.300 0.235 0.000 1.065 769 M CA 1.227 56.398 55.300 -0.216 0.000 1.122 769 M CB -0.039 32.349 32.600 -0.352 0.000 1.365 769 M HN 0.122 nan 8.290 nan 0.000 0.411 770 L N -0.169 121.201 121.223 0.245 0.000 2.056 770 L HA -0.218 4.122 4.340 -0.001 0.000 0.207 770 L C 2.459 179.429 176.870 0.167 0.000 1.078 770 L CA 0.855 55.826 54.840 0.219 0.000 0.749 770 L CB -0.905 41.230 42.059 0.127 0.000 0.901 770 L HN 0.437 nan 8.230 nan 0.000 0.433 771 N N 0.241 119.031 118.700 0.149 0.000 2.022 771 N HA -0.175 4.565 4.740 -0.001 0.000 0.194 771 N C 1.714 177.309 175.510 0.142 0.000 1.057 771 N CA 2.424 55.547 53.050 0.122 0.000 0.849 771 N CB -0.403 38.150 38.487 0.109 0.000 1.044 771 N HN 0.084 nan 8.380 nan 0.000 0.424 772 T N 1.530 116.202 114.554 0.197 0.000 2.653 772 T HA -0.111 4.239 4.350 -0.001 0.000 0.268 772 T C 1.900 176.719 174.700 0.198 0.000 1.035 772 T CA 1.199 63.426 62.100 0.212 0.000 1.154 772 T CB -0.018 69.058 68.868 0.347 0.000 0.862 772 T HN 0.264 nan 8.240 nan 0.000 0.441 773 R N -0.020 120.629 120.500 0.249 0.000 2.189 773 R HA 0.237 4.577 4.340 -0.001 0.000 0.203 773 R C 1.541 177.914 176.300 0.122 0.000 1.012 773 R CA 0.775 57.010 56.100 0.226 0.000 1.015 773 R CB 0.106 30.634 30.300 0.379 0.000 0.938 773 R HN 0.159 nan 8.270 nan 0.000 0.472 774 K N -0.170 120.292 120.400 0.103 0.000 2.517 774 K HA 0.189 4.508 4.320 -0.001 0.000 0.210 774 K C -0.404 176.187 176.600 -0.015 0.000 1.166 774 K CA -0.100 56.176 56.287 -0.017 0.000 1.030 774 K CB 0.473 32.928 32.500 -0.075 0.000 0.974 774 K HN -0.050 nan 8.250 nan 0.000 0.585 775 N N 1.636 120.351 118.700 0.025 0.000 2.698 775 N HA -0.231 4.509 4.740 -0.001 0.000 0.258 775 N C -0.752 174.769 175.510 0.019 0.000 0.978 775 N CA 1.381 54.444 53.050 0.022 0.000 0.777 775 N CB -0.700 37.790 38.487 0.005 0.000 0.907 775 N HN 0.373 nan 8.380 nan 0.000 0.543 776 M N -1.182 118.440 119.600 0.037 0.000 2.716 776 M HA 0.510 4.989 4.480 -0.001 0.000 0.278 776 M C -0.114 176.211 176.300 0.042 0.000 1.281 776 M CA -0.782 54.539 55.300 0.034 0.000 0.814 776 M CB 2.556 35.181 32.600 0.043 0.000 1.719 776 M HN 0.144 nan 8.290 nan 0.000 0.457 777 S N 0.056 115.771 115.700 0.024 0.000 2.552 777 S HA 0.727 5.196 4.470 -0.001 0.000 0.272 777 S C -1.492 173.100 174.600 -0.014 0.000 1.150 777 S CA -0.966 57.245 58.200 0.019 0.000 0.849 777 S CB 1.159 64.371 63.200 0.021 0.000 1.113 777 S HN 0.633 nan 8.310 nan 0.000 0.458 778 I N 2.096 122.647 120.570 -0.031 0.000 2.392 778 I HA 0.552 4.721 4.170 -0.001 0.000 0.295 778 I C 0.357 176.401 176.117 -0.121 0.000 0.985 778 I CA -0.506 60.738 61.300 -0.094 0.000 1.221 778 I CB 1.936 39.850 38.000 -0.143 0.000 1.366 778 I HN 0.716 nan 8.210 nan 0.000 0.467 779 S N 5.265 120.888 115.700 -0.128 0.000 2.525 779 S HA 0.601 5.071 4.470 -0.001 0.000 0.290 779 S C 0.128 174.640 174.600 -0.147 0.000 1.152 779 S CA -0.491 57.645 58.200 -0.107 0.000 1.072 779 S CB 0.882 64.040 63.200 -0.071 0.000 1.027 779 S HN 0.587 nan 8.310 nan 0.000 0.500 780 L N 3.771 124.925 121.223 -0.114 0.000 3.069 780 L HA 0.347 4.686 4.340 -0.001 0.000 0.271 780 L C 1.447 178.293 176.870 -0.039 0.000 1.201 780 L CA 0.010 54.783 54.840 -0.112 0.000 1.015 780 L CB 0.162 42.148 42.059 -0.122 0.000 1.371 780 L HN 0.569 nan 8.230 nan 0.000 0.574 781 E N 0.824 121.006 120.200 -0.030 0.000 2.114 781 E HA -0.157 4.193 4.350 -0.001 0.000 0.199 781 E C 0.760 177.363 176.600 0.005 0.000 1.008 781 E CA 1.582 57.976 56.400 -0.011 0.000 0.810 781 E CB 0.133 29.824 29.700 -0.015 0.000 0.739 781 E HN 0.515 nan 8.360 nan 0.000 0.456 782 S N -2.826 112.875 115.700 0.001 0.000 2.636 782 S HA 0.232 4.702 4.470 -0.001 0.000 0.268 782 S C 0.762 175.364 174.600 0.003 0.000 1.159 782 S CA -0.265 57.949 58.200 0.022 0.000 0.815 782 S CB 1.019 64.216 63.200 -0.006 0.000 1.130 782 S HN 0.047 nan 8.310 nan 0.000 0.471 783 S N 0.703 116.380 115.700 -0.038 0.000 2.419 783 S HA -0.134 4.336 4.470 -0.001 0.000 0.233 783 S C 1.663 176.173 174.600 -0.149 0.000 1.016 783 S CA 1.472 59.566 58.200 -0.176 0.000 0.974 783 S CB -0.648 62.085 63.200 -0.779 0.000 0.786 783 S HN 0.761 nan 8.310 nan 0.000 0.492 784 K N 2.359 122.685 120.400 -0.122 0.000 2.031 784 K HA 0.256 4.576 4.320 -0.001 0.000 0.205 784 K C 2.244 178.801 176.600 -0.073 0.000 1.049 784 K CA 1.382 57.614 56.287 -0.093 0.000 0.939 784 K CB -1.198 31.255 32.500 -0.077 0.000 0.717 784 K HN 0.359 nan 8.250 nan 0.000 0.438 785 A N 0.921 123.704 122.820 -0.062 0.000 1.948 785 A HA -0.165 4.155 4.320 -0.001 0.000 0.220 785 A C 2.075 179.615 177.584 -0.073 0.000 1.177 785 A CA 1.894 53.896 52.037 -0.057 0.000 0.636 785 A CB -0.781 18.190 19.000 -0.048 0.000 0.815 785 A HN 0.408 nan 8.150 nan 0.000 0.449 786 L N -0.479 120.693 121.223 -0.085 0.000 2.007 786 L HA 0.110 4.450 4.340 -0.001 0.000 0.205 786 L C 2.614 179.428 176.870 -0.093 0.000 1.073 786 L CA 2.291 57.064 54.840 -0.112 0.000 0.744 786 L CB -1.403 40.580 42.059 -0.127 0.000 0.898 786 L HN 0.315 nan 8.230 nan 0.000 0.435 787 A N -0.137 122.634 122.820 -0.081 0.000 1.884 787 A HA -0.306 4.014 4.320 -0.001 0.000 0.219 787 A C 1.969 179.511 177.584 -0.071 0.000 1.197 787 A CA 2.321 54.313 52.037 -0.075 0.000 0.637 787 A CB -1.248 17.704 19.000 -0.080 0.000 0.827 787 A HN 0.603 nan 8.150 nan 0.000 0.450 788 D N -0.203 120.157 120.400 -0.067 0.000 2.123 788 D HA -0.144 4.495 4.640 -0.001 0.000 0.196 788 D C 2.446 178.712 176.300 -0.057 0.000 0.992 788 D CA 1.948 55.914 54.000 -0.058 0.000 0.833 788 D CB -0.473 40.296 40.800 -0.052 0.000 0.954 788 D HN 0.613 nan 8.370 nan 0.000 0.455 789 S N -0.097 115.565 115.700 -0.063 0.000 2.423 789 S HA -0.103 4.367 4.470 -0.001 0.000 0.231 789 S C 1.895 176.457 174.600 -0.064 0.000 1.014 789 S CA 0.386 58.550 58.200 -0.061 0.000 0.965 789 S CB -0.289 62.870 63.200 -0.069 0.000 0.785 789 S HN 0.030 nan 8.310 nan 0.000 0.495 790 L N 2.732 123.909 121.223 -0.077 0.000 2.017 790 L HA -0.031 4.308 4.340 -0.001 0.000 0.208 790 L C 2.227 179.050 176.870 -0.077 0.000 1.073 790 L CA 1.775 56.563 54.840 -0.087 0.000 0.745 790 L CB -1.462 40.540 42.059 -0.095 0.000 0.894 790 L HN 0.249 nan 8.230 nan 0.000 0.432 791 D N -0.560 119.799 120.400 -0.067 0.000 2.172 791 D HA -0.226 4.413 4.640 -0.001 0.000 0.196 791 D C 2.343 178.618 176.300 -0.042 0.000 0.999 791 D CA 1.119 55.086 54.000 -0.056 0.000 0.856 791 D CB -0.131 40.639 40.800 -0.050 0.000 0.934 791 D HN 0.282 nan 8.370 nan 0.000 0.453 792 R N -0.444 120.033 120.500 -0.038 0.000 2.189 792 R HA 0.036 4.375 4.340 -0.001 0.000 0.218 792 R C 0.608 176.901 176.300 -0.011 0.000 1.074 792 R CA 0.201 56.286 56.100 -0.025 0.000 0.991 792 R CB -0.044 30.241 30.300 -0.025 0.000 0.883 792 R HN 0.120 nan 8.270 nan 0.000 0.457 793 C N 2.378 121.669 119.300 -0.016 0.000 2.612 793 C HA 0.212 4.672 4.460 -0.001 0.000 0.403 793 C C 0.065 175.099 174.990 0.072 0.000 1.056 793 C CA -0.536 58.497 59.018 0.026 0.000 1.256 793 C CB -1.275 26.450 27.740 -0.025 0.000 1.741 793 C HN 0.032 nan 8.230 nan 0.000 0.542 794 V N 2.909 122.869 119.914 0.077 0.000 2.531 794 V HA 0.353 4.472 4.120 -0.001 0.000 0.301 794 V C -0.350 175.781 176.094 0.060 0.000 1.034 794 V CA -0.388 61.961 62.300 0.083 0.000 0.865 794 V CB 1.963 33.803 31.823 0.029 0.000 0.995 794 V HN 0.578 nan 8.190 nan 0.000 0.424 795 D N 6.911 127.358 120.400 0.077 0.000 2.317 795 D HA 0.322 4.962 4.640 -0.001 0.000 0.234 795 D C -1.352 174.938 176.300 -0.017 0.000 1.112 795 D CA -1.859 52.102 54.000 -0.064 0.000 0.840 795 D CB 2.513 43.183 40.800 -0.217 0.000 1.078 795 D HN 0.241 nan 8.370 nan 0.000 0.486 796 P HA -0.155 nan 4.420 nan 0.000 0.216 796 P C 1.190 178.485 177.300 -0.008 0.000 1.153 796 P CA 1.428 64.520 63.100 -0.014 0.000 0.848 796 P CB 0.270 31.956 31.700 -0.022 0.000 0.787 797 E N 0.807 120.990 120.200 -0.028 0.000 2.033 797 E HA -0.196 4.153 4.350 -0.001 0.000 0.199 797 E C 1.112 177.725 176.600 0.022 0.000 1.011 797 E CA 1.756 58.146 56.400 -0.016 0.000 0.815 797 E CB -1.086 28.587 29.700 -0.044 0.000 0.755 797 E HN 0.269 nan 8.360 nan 0.000 0.451 798 D N -1.186 119.240 120.400 0.043 0.000 2.481 798 D HA 0.322 4.962 4.640 -0.001 0.000 0.246 798 D C -2.112 174.291 176.300 0.172 0.000 1.109 798 D CA -2.480 51.600 54.000 0.134 0.000 0.845 798 D CB 1.900 42.829 40.800 0.215 0.000 1.160 798 D HN -0.156 nan 8.370 nan 0.000 0.534 799 P HA -0.150 nan 4.420 nan 0.000 0.215 799 P C 1.193 178.586 177.300 0.155 0.000 1.153 799 P CA 0.928 64.106 63.100 0.131 0.000 0.853 799 P CB 0.061 31.829 31.700 0.112 0.000 0.788 800 Y N -0.956 119.395 120.300 0.085 0.000 2.373 800 Y HA -0.123 4.427 4.550 -0.001 0.000 0.293 800 Y C 2.189 178.068 175.900 -0.036 0.000 1.129 800 Y CA 0.678 58.783 58.100 0.009 0.000 1.226 800 Y CB -0.889 37.572 38.460 0.002 0.000 1.000 800 Y HN -0.204 nan 8.280 nan 0.000 0.549 801 F N 1.719 121.669 119.950 -0.000 0.000 2.063 801 F HA -0.439 4.088 4.527 -0.000 0.000 0.297 801 F C 2.474 178.112 175.800 -0.270 0.000 1.099 801 F CA 2.476 60.416 58.000 -0.099 0.000 1.220 801 F CB -1.121 37.872 39.000 -0.012 0.000 0.972 801 F HN 0.261 nan 8.300 nan 0.000 0.487 802 N N -0.404 118.139 118.700 -0.263 0.000 2.049 802 N HA -0.307 4.433 4.740 -0.001 0.000 0.198 802 N C 1.936 177.147 175.510 -0.498 0.000 1.030 802 N CA 2.898 55.735 53.050 -0.355 0.000 0.870 802 N CB -0.531 37.861 38.487 -0.160 0.000 1.045 802 N HN 0.596 nan 8.380 nan 0.000 0.434 803 T N -0.391 113.816 114.554 -0.578 0.000 2.867 803 T HA -0.124 4.226 4.350 -0.001 0.000 0.268 803 T C 2.169 176.468 174.700 -0.669 0.000 1.057 803 T CA 1.035 62.771 62.100 -0.606 0.000 1.136 803 T CB -0.428 68.044 68.868 -0.660 0.000 0.874 803 T HN 0.218 nan 8.240 nan 0.000 0.466 804 L N 1.606 122.311 121.223 -0.862 0.000 1.989 804 L HA 0.014 4.354 4.340 -0.001 0.000 0.211 804 L C 2.576 179.144 176.870 -0.503 0.000 1.071 804 L CA 1.635 56.105 54.840 -0.617 0.000 0.749 804 L CB -1.010 40.714 42.059 -0.557 0.000 0.890 804 L HN 0.180 nan 8.230 nan 0.000 0.431 805 V N 0.452 119.941 119.914 -0.708 0.000 2.231 805 V HA -0.374 3.745 4.120 -0.001 0.000 0.250 805 V C 2.797 178.710 176.094 -0.301 0.000 1.058 805 V CA 2.428 64.400 62.300 -0.546 0.000 1.022 805 V CB -0.844 30.589 31.823 -0.650 0.000 0.640 805 V HN 0.506 nan 8.190 nan 0.000 0.445 806 R N -0.446 119.877 120.500 -0.295 0.000 2.115 806 R HA -0.218 4.122 4.340 -0.001 0.000 0.239 806 R C 2.232 178.442 176.300 -0.151 0.000 1.133 806 R CA 2.296 58.285 56.100 -0.185 0.000 0.935 806 R CB -0.771 29.416 30.300 -0.189 0.000 0.853 806 R HN 0.455 nan 8.270 nan 0.000 0.433 807 I N 0.560 121.002 120.570 -0.213 0.000 2.315 807 I HA -0.327 3.843 4.170 -0.001 0.000 0.251 807 I C 2.502 178.480 176.117 -0.232 0.000 1.125 807 I CA 1.477 62.630 61.300 -0.245 0.000 1.392 807 I CB -0.157 37.662 38.000 -0.301 0.000 1.065 807 I HN 0.240 nan 8.210 nan 0.000 0.424 808 M N -0.493 119.012 119.600 -0.158 0.000 2.287 808 M HA -0.100 4.379 4.480 -0.001 0.000 0.266 808 M C 2.522 178.816 176.300 -0.009 0.000 1.079 808 M CA 1.513 56.767 55.300 -0.075 0.000 1.146 808 M CB -0.248 32.340 32.600 -0.021 0.000 1.374 808 M HN 0.340 nan 8.290 nan 0.000 0.435 809 S N -0.542 115.175 115.700 0.028 0.000 2.428 809 S HA -0.084 4.385 4.470 -0.001 0.000 0.230 809 S C 1.696 176.398 174.600 0.170 0.000 1.014 809 S CA 1.521 59.832 58.200 0.184 0.000 0.957 809 S CB -0.665 62.653 63.200 0.197 0.000 0.784 809 S HN 0.367 nan 8.310 nan 0.000 0.499 810 T N 2.037 116.638 114.554 0.077 0.000 2.746 810 T HA 0.015 4.365 4.350 -0.001 0.000 0.267 810 T C 1.855 176.596 174.700 0.068 0.000 1.039 810 T CA 1.461 63.615 62.100 0.091 0.000 1.142 810 T CB -0.325 68.590 68.868 0.078 0.000 0.866 810 T HN 0.361 nan 8.240 nan 0.000 0.444 811 R N 0.503 121.016 120.500 0.021 0.000 2.211 811 R HA -0.044 4.295 4.340 -0.001 0.000 0.240 811 R C 2.339 178.614 176.300 -0.043 0.000 1.144 811 R CA 0.997 57.106 56.100 0.016 0.000 0.992 811 R CB -0.948 29.353 30.300 0.001 0.000 0.869 811 R HN 0.455 nan 8.270 nan 0.000 0.462 812 C N -0.795 118.433 119.300 -0.120 0.000 2.514 812 C HA 0.239 4.699 4.460 -0.001 0.000 0.271 812 C C 0.903 175.749 174.990 -0.240 0.000 1.399 812 C CA -0.848 57.957 59.018 -0.355 0.000 1.765 812 C CB -0.661 26.516 27.740 -0.939 0.000 1.893 812 C HN 0.345 nan 8.230 nan 0.000 0.531 813 M N 0.880 120.465 119.600 -0.026 0.000 2.232 813 M HA 0.221 4.701 4.480 -0.001 0.000 0.321 813 M C 0.433 176.753 176.300 0.033 0.000 1.101 813 M CA 0.790 56.128 55.300 0.063 0.000 1.181 813 M CB 0.239 32.967 32.600 0.214 0.000 1.432 813 M HN 0.129 nan 8.290 nan 0.000 0.457 814 M N 1.478 121.080 119.600 0.002 0.000 2.227 814 M HA 0.412 4.892 4.480 -0.001 0.000 0.316 814 M C -0.067 176.335 176.300 0.170 0.000 1.144 814 M CA -0.660 54.638 55.300 -0.004 0.000 1.121 814 M CB 0.276 32.777 32.600 -0.165 0.000 1.440 814 M HN 0.717 nan 8.290 nan 0.000 0.473 815 A N 1.285 124.162 122.820 0.096 0.000 2.401 815 A HA 0.589 4.909 4.320 -0.001 0.000 0.259 815 A C 0.319 177.969 177.584 0.109 0.000 1.103 815 A CA -0.437 51.656 52.037 0.093 0.000 0.789 815 A CB -0.005 19.018 19.000 0.039 0.000 1.035 815 A HN 0.919 nan 8.150 nan 0.000 0.491 816 A N 1.987 124.847 122.820 0.066 0.000 2.406 816 A HA 0.535 4.855 4.320 -0.001 0.000 0.243 816 A C 0.276 177.745 177.584 -0.192 0.000 1.082 816 A CA 0.380 52.382 52.037 -0.057 0.000 0.786 816 A CB 0.021 18.909 19.000 -0.187 0.000 1.029 816 A HN 1.206 nan 8.150 nan 0.000 0.495 817 Q N -0.220 119.435 119.800 -0.242 0.000 2.340 817 Q HA 0.613 4.953 4.340 -0.001 0.000 0.276 817 Q C -1.703 174.173 176.000 -0.207 0.000 1.048 817 Q CA -0.712 54.941 55.803 -0.250 0.000 0.832 817 Q CB 0.860 29.524 28.738 -0.123 0.000 1.373 817 Q HN 0.616 nan 8.270 nan 0.000 0.409 818 Y N 1.869 122.164 120.300 -0.008 0.000 2.357 818 Y HA 0.520 5.069 4.550 -0.001 0.000 0.340 818 Y C 0.017 176.012 175.900 0.160 0.000 1.260 818 Y CA 0.085 58.205 58.100 0.034 0.000 1.425 818 Y CB 0.709 39.164 38.460 -0.009 0.000 1.326 818 Y HN 0.698 nan 8.280 nan 0.000 0.580 819 F N -0.400 119.572 119.950 0.037 0.000 2.746 819 F HA 0.424 4.951 4.527 -0.001 0.000 0.311 819 F C -1.997 173.778 175.800 -0.040 0.000 1.135 819 F CA -2.221 55.745 58.000 -0.056 0.000 0.954 819 F CB 0.202 39.028 39.000 -0.290 0.000 1.276 819 F HN 0.382 nan 8.300 nan 0.000 0.440 820 Y N 0.483 120.708 120.300 -0.125 0.000 2.335 820 Y HA 0.589 5.138 4.550 -0.002 0.000 0.323 820 Y C 1.234 177.038 175.900 -0.160 0.000 1.224 820 Y CA -0.501 57.462 58.100 -0.229 0.000 1.241 820 Y CB 1.102 39.540 38.460 -0.037 0.000 1.235 820 Y HN 0.756 nan 8.280 nan 0.000 0.492 821 S N 0.890 116.522 115.700 -0.114 0.000 2.419 821 S HA -0.131 4.339 4.470 -0.001 0.000 0.233 821 S C 1.914 176.736 174.600 0.371 0.000 1.016 821 S CA 0.767 58.985 58.200 0.031 0.000 0.974 821 S CB -1.199 62.167 63.200 0.276 0.000 0.786 821 S HN 1.046 nan 8.310 nan 0.000 0.492 822 G N 1.523 110.555 108.800 0.387 0.000 2.450 822 G HA2 0.046 4.006 3.960 -0.001 0.000 0.220 822 G HA3 0.046 4.006 3.960 -0.001 0.000 0.220 822 G C 1.453 176.482 174.900 0.215 0.000 1.130 822 G CA 0.654 45.989 45.100 0.391 0.000 0.760 822 G HN 0.776 nan 8.290 nan 0.000 0.557 823 A N -1.437 121.330 122.820 -0.088 0.000 2.208 823 A HA 0.515 4.834 4.320 -0.001 0.000 0.209 823 A C 0.259 177.811 177.584 -0.054 0.000 1.161 823 A CA 0.298 52.263 52.037 -0.121 0.000 0.782 823 A CB -0.024 18.754 19.000 -0.371 0.000 0.816 823 A HN 0.311 nan 8.150 nan 0.000 0.477 824 Y N -1.494 118.885 120.300 0.132 0.000 2.644 824 Y HA 0.467 5.017 4.550 -0.001 0.000 0.338 824 Y C 0.499 176.562 175.900 0.272 0.000 1.119 824 Y CA -0.712 57.490 58.100 0.171 0.000 1.060 824 Y CB 1.524 40.067 38.460 0.138 0.000 1.294 824 Y HN 0.083 nan 8.280 nan 0.000 0.472 825 S N -0.551 115.309 115.700 0.267 0.000 2.687 825 S HA 0.232 4.701 4.470 -0.001 0.000 0.283 825 S C 0.557 174.967 174.600 -0.316 0.000 1.170 825 S CA -0.566 57.672 58.200 0.062 0.000 1.008 825 S CB 0.825 64.046 63.200 0.035 0.000 1.026 825 S HN 0.748 nan 8.310 nan 0.000 0.541 826 Y N 2.506 122.396 120.300 -0.683 0.000 2.069 826 Y HA -0.029 4.522 4.550 0.002 0.000 0.278 826 Y C -1.099 174.430 175.900 -0.618 0.000 1.175 826 Y CA 2.288 59.690 58.100 -1.165 0.000 1.134 826 Y CB -1.356 36.753 38.460 -0.585 0.000 0.965 826 Y HN 0.544 nan 8.280 nan 0.000 0.498 827 P HA -0.052 nan 4.420 nan 0.000 0.234 827 P C 0.528 177.809 177.300 -0.031 0.000 1.167 827 P CA 1.445 64.549 63.100 0.008 0.000 0.763 827 P CB 0.080 31.808 31.700 0.047 0.000 0.835 828 D N -1.743 118.631 120.400 -0.044 0.000 2.340 828 D HA 0.092 4.731 4.640 -0.001 0.000 0.220 828 D C 1.442 177.747 176.300 0.009 0.000 1.039 828 D CA 0.278 54.290 54.000 0.020 0.000 0.866 828 D CB -0.317 40.586 40.800 0.171 0.000 0.913 828 D HN 0.268 nan 8.370 nan 0.000 0.523 829 F N 0.683 120.471 119.950 -0.270 0.000 2.456 829 F HA 0.013 4.539 4.527 -0.002 0.000 0.298 829 F C 1.134 176.826 175.800 -0.180 0.000 1.104 829 F CA -0.283 57.554 58.000 -0.270 0.000 1.435 829 F CB 0.248 39.006 39.000 -0.404 0.000 1.078 829 F HN -0.346 nan 8.300 nan 0.000 0.546 830 R N 1.538 122.060 120.500 0.037 0.000 2.489 830 R HA -0.176 4.163 4.340 -0.001 0.000 0.287 830 R C -0.207 176.138 176.300 0.077 0.000 0.902 830 R CA 0.559 56.694 56.100 0.059 0.000 1.136 830 R CB -0.568 29.762 30.300 0.049 0.000 0.872 830 R HN 0.178 nan 8.270 nan 0.000 0.421 831 H N 3.695 122.800 119.070 0.058 0.000 2.652 831 H HA -0.020 4.535 4.556 -0.001 0.000 0.298 831 H C 0.477 175.867 175.328 0.102 0.000 1.076 831 H CA -0.079 56.011 56.048 0.070 0.000 1.360 831 H CB 0.461 30.174 29.762 -0.082 0.000 1.421 831 H HN 0.612 nan 8.280 nan 0.000 0.464 832 Y N 4.241 124.594 120.300 0.089 0.000 2.184 832 Y HA -0.037 4.512 4.550 -0.001 0.000 0.290 832 Y C 2.061 178.099 175.900 0.230 0.000 1.129 832 Y CA 1.967 60.122 58.100 0.092 0.000 1.144 832 Y CB -0.030 38.358 38.460 -0.120 0.000 0.995 832 Y HN 0.689 nan 8.280 nan 0.000 0.513 833 G N -0.146 109.014 108.800 0.599 0.000 2.426 833 G HA2 -0.103 3.856 3.960 -0.001 0.000 0.214 833 G HA3 -0.103 3.856 3.960 -0.001 0.000 0.214 833 G C 1.419 176.363 174.900 0.073 0.000 1.156 833 G CA 0.728 46.017 45.100 0.314 0.000 0.802 833 G HN 0.411 nan 8.290 nan 0.000 0.534 834 L N 0.382 121.630 121.223 0.042 0.000 2.492 834 L HA 0.347 4.687 4.340 -0.001 0.000 0.223 834 L C 1.757 178.544 176.870 -0.138 0.000 1.132 834 L CA 0.321 55.023 54.840 -0.230 0.000 0.850 834 L CB -0.147 41.510 42.059 -0.671 0.000 0.966 834 L HN 0.288 nan 8.230 nan 0.000 0.454 835 A N 0.684 123.473 122.820 -0.051 0.000 2.578 835 A HA -0.084 4.236 4.320 -0.001 0.000 0.298 835 A C 0.098 177.659 177.584 -0.039 0.000 1.472 835 A CA 0.676 52.668 52.037 -0.075 0.000 0.734 835 A CB -2.236 16.691 19.000 -0.122 0.000 1.091 835 A HN 0.367 nan 8.150 nan 0.000 0.426 836 V N -2.641 117.279 119.914 0.011 0.000 2.808 836 V HA 0.700 4.819 4.120 -0.001 0.000 0.308 836 V C 0.789 176.944 176.094 0.101 0.000 1.099 836 V CA -0.195 62.130 62.300 0.043 0.000 0.920 836 V CB 1.974 33.812 31.823 0.025 0.000 1.014 836 V HN 0.267 nan 8.190 nan 0.000 0.425 837 D N 1.673 122.145 120.400 0.120 0.000 2.104 837 D HA 0.036 4.676 4.640 -0.001 0.000 0.194 837 D C 0.397 176.755 176.300 0.096 0.000 0.994 837 D CA 2.379 56.467 54.000 0.147 0.000 0.830 837 D CB 0.406 41.363 40.800 0.263 0.000 0.959 837 D HN 0.672 nan 8.370 nan 0.000 0.452 838 I N -1.614 119.046 120.570 0.150 0.000 2.802 838 I HA 0.385 4.554 4.170 -0.001 0.000 0.298 838 I C -1.843 174.421 176.117 0.245 0.000 1.176 838 I CA -0.947 60.440 61.300 0.145 0.000 1.025 838 I CB 2.450 40.518 38.000 0.113 0.000 1.243 838 I HN -0.149 nan 8.210 nan 0.000 0.424 839 Y N 4.358 124.683 120.300 0.042 0.000 2.604 839 Y HA 0.539 5.088 4.550 -0.001 0.000 0.331 839 Y C -1.106 174.802 175.900 0.013 0.000 1.158 839 Y CA -0.220 57.911 58.100 0.051 0.000 1.056 839 Y CB 2.037 40.548 38.460 0.085 0.000 1.330 839 Y HN 0.598 nan 8.280 nan 0.000 0.457 840 T N 1.923 116.036 114.554 -0.735 0.000 2.802 840 T HA 0.374 4.723 4.350 -0.001 0.000 0.311 840 T C -2.193 172.218 174.700 -0.482 0.000 1.405 840 T CA -0.622 61.178 62.100 -0.501 0.000 1.016 840 T CB 0.950 69.678 68.868 -0.234 0.000 1.352 840 T HN 0.767 nan 8.240 nan 0.000 0.498 841 H N 1.796 120.780 119.070 -0.144 0.000 2.652 841 H HA 0.464 5.020 4.556 -0.001 0.000 0.298 841 H C -0.290 175.093 175.328 0.091 0.000 1.076 841 H CA -0.330 55.722 56.048 0.006 0.000 1.360 841 H CB 0.908 30.775 29.762 0.174 0.000 1.421 841 H HN 0.481 nan 8.280 nan 0.000 0.464 842 F N 1.414 121.415 119.950 0.087 0.000 2.767 842 F HA -0.029 4.499 4.527 0.002 0.000 0.329 842 F C 1.970 177.865 175.800 0.158 0.000 0.912 842 F CA 0.248 58.306 58.000 0.097 0.000 1.115 842 F CB 0.436 39.451 39.000 0.026 0.000 0.936 842 F HN 0.434 nan 8.300 nan 0.000 0.624 843 T N -2.036 112.569 114.554 0.085 0.000 3.194 843 T HA 0.168 4.517 4.350 -0.001 0.000 0.251 843 T C 0.867 175.543 174.700 -0.041 0.000 1.132 843 T CA 0.783 62.894 62.100 0.018 0.000 1.028 843 T CB -0.266 68.705 68.868 0.172 0.000 0.976 843 T HN 0.122 nan 8.240 nan 0.000 0.535 844 S N 2.011 117.660 115.700 -0.084 0.000 2.472 844 S HA 0.352 4.821 4.470 -0.001 0.000 0.191 844 S C -1.975 172.564 174.600 -0.102 0.000 1.244 844 S CA -1.066 57.093 58.200 -0.069 0.000 1.227 844 S CB 0.888 64.070 63.200 -0.030 0.000 1.381 844 S HN 0.154 nan 8.310 nan 0.000 0.394 845 P HA -0.017 nan 4.420 nan 0.000 0.218 845 P C 1.437 178.661 177.300 -0.127 0.000 1.149 845 P CA 0.739 63.689 63.100 -0.249 0.000 0.817 845 P CB 0.064 31.453 31.700 -0.518 0.000 0.785 846 I N -0.307 120.209 120.570 -0.091 0.000 2.286 846 I HA -0.162 4.007 4.170 -0.001 0.000 0.248 846 I C 2.413 178.537 176.117 0.011 0.000 1.115 846 I CA 1.417 62.691 61.300 -0.043 0.000 1.392 846 I CB -0.352 37.624 38.000 -0.041 0.000 1.065 846 I HN -0.142 nan 8.210 nan 0.000 0.418 847 R N -0.110 120.409 120.500 0.032 0.000 2.362 847 R HA 0.272 4.612 4.340 -0.001 0.000 0.227 847 R C -0.026 176.334 176.300 0.099 0.000 0.905 847 R CA 0.090 56.243 56.100 0.088 0.000 1.067 847 R CB 0.438 30.819 30.300 0.135 0.000 1.078 847 R HN 0.185 nan 8.270 nan 0.000 0.516 848 R N -0.711 119.832 120.500 0.071 0.000 2.566 848 R HA 0.098 4.437 4.340 -0.001 0.000 0.271 848 R C -0.872 175.467 176.300 0.065 0.000 1.071 848 R CA -0.572 55.586 56.100 0.097 0.000 0.915 848 R CB 1.191 31.545 30.300 0.091 0.000 1.228 848 R HN -0.034 nan 8.270 nan 0.000 0.449 849 Y N 1.180 121.460 120.300 -0.034 0.000 2.475 849 Y HA -0.088 4.462 4.550 0.000 0.000 0.289 849 Y C 2.126 177.944 175.900 -0.137 0.000 1.121 849 Y CA 0.930 58.987 58.100 -0.071 0.000 1.257 849 Y CB 0.135 38.566 38.460 -0.049 0.000 1.026 849 Y HN 0.758 nan 8.280 nan 0.000 0.555 850 C N 0.638 119.787 119.300 -0.252 0.000 2.413 850 C HA -0.188 4.271 4.460 -0.001 0.000 0.276 850 C C 2.266 177.091 174.990 -0.276 0.000 1.248 850 C CA 2.166 60.946 59.018 -0.396 0.000 1.742 850 C CB -1.152 26.217 27.740 -0.618 0.000 2.017 850 C HN 0.611 nan 8.230 nan 0.000 0.481 851 D N 0.455 120.756 120.400 -0.165 0.000 2.178 851 D HA -0.079 4.561 4.640 -0.001 0.000 0.202 851 D C 2.266 178.452 176.300 -0.191 0.000 0.974 851 D CA 1.206 55.146 54.000 -0.099 0.000 0.841 851 D CB -0.366 40.359 40.800 -0.125 0.000 0.953 851 D HN 0.408 nan 8.370 nan 0.000 0.478 852 V N 0.637 120.343 119.914 -0.347 0.000 2.231 852 V HA -0.265 3.855 4.120 -0.001 0.000 0.248 852 V C 2.548 178.443 176.094 -0.332 0.000 1.054 852 V CA 1.389 63.458 62.300 -0.385 0.000 1.015 852 V CB -0.652 30.823 31.823 -0.579 0.000 0.638 852 V HN 0.112 nan 8.190 nan 0.000 0.444 853 V N 0.265 119.839 119.914 -0.567 0.000 2.287 853 V HA -0.272 3.848 4.120 -0.001 0.000 0.248 853 V C 2.693 178.622 176.094 -0.275 0.000 1.053 853 V CA 2.095 64.063 62.300 -0.554 0.000 1.027 853 V CB -1.266 30.128 31.823 -0.715 0.000 0.646 853 V HN 0.577 nan 8.190 nan 0.000 0.447 854 A N -1.533 121.205 122.820 -0.136 0.000 1.972 854 A HA -0.236 4.084 4.320 -0.001 0.000 0.219 854 A C 2.100 179.800 177.584 0.194 0.000 1.169 854 A CA 1.698 53.747 52.037 0.020 0.000 0.635 854 A CB -0.792 18.271 19.000 0.104 0.000 0.810 854 A HN 0.702 nan 8.150 nan 0.000 0.446 855 H N -0.637 118.520 119.070 0.144 0.000 2.270 855 H HA -0.104 4.452 4.556 0.000 0.000 0.299 855 H C 2.500 178.013 175.328 0.309 0.000 1.077 855 H CA 1.777 58.022 56.048 0.328 0.000 1.294 855 H CB -0.019 29.887 29.762 0.241 0.000 1.371 855 H HN 0.436 nan 8.280 nan 0.000 0.491 856 R N 0.673 121.344 120.500 0.286 0.000 2.119 856 R HA -0.189 4.151 4.340 -0.001 0.000 0.246 856 R C 2.573 178.964 176.300 0.152 0.000 1.146 856 R CA 1.684 57.910 56.100 0.210 0.000 0.962 856 R CB -0.178 30.243 30.300 0.202 0.000 0.863 856 R HN 0.503 nan 8.270 nan 0.000 0.442 857 Q N -0.005 119.825 119.800 0.050 0.000 2.050 857 Q HA -0.173 4.166 4.340 -0.001 0.000 0.202 857 Q C 2.157 178.215 176.000 0.097 0.000 0.980 857 Q CA 1.196 56.970 55.803 -0.048 0.000 0.840 857 Q CB -0.173 28.473 28.738 -0.152 0.000 0.898 857 Q HN 0.187 nan 8.270 nan 0.000 0.424 858 L N 0.870 122.126 121.223 0.056 0.000 2.042 858 L HA -0.152 4.188 4.340 -0.001 0.000 0.210 858 L C 2.185 179.182 176.870 0.210 0.000 1.076 858 L CA 2.123 56.928 54.840 -0.058 0.000 0.749 858 L CB -1.019 40.772 42.059 -0.446 0.000 0.893 858 L HN 0.145 nan 8.230 nan 0.000 0.432 859 A N -0.440 122.642 122.820 0.438 0.000 1.903 859 A HA -0.223 4.097 4.320 -0.001 0.000 0.219 859 A C 2.367 180.144 177.584 0.321 0.000 1.191 859 A CA 2.101 54.385 52.037 0.410 0.000 0.638 859 A CB -1.683 17.512 19.000 0.325 0.000 0.823 859 A HN 0.554 nan 8.150 nan 0.000 0.451 860 G N -0.979 107.991 108.800 0.283 0.000 2.402 860 G HA2 0.044 4.003 3.960 -0.001 0.000 0.216 860 G HA3 0.044 4.003 3.960 -0.001 0.000 0.216 860 G C 1.738 176.813 174.900 0.290 0.000 1.162 860 G CA 1.386 46.675 45.100 0.315 0.000 0.777 860 G HN 0.916 nan 8.290 nan 0.000 0.539 861 A N 1.062 124.050 122.820 0.280 0.000 2.024 861 A HA 0.015 4.335 4.320 -0.001 0.000 0.220 861 A C 2.294 179.900 177.584 0.035 0.000 1.164 861 A CA 1.479 53.566 52.037 0.082 0.000 0.643 861 A CB -0.423 18.579 19.000 0.004 0.000 0.806 861 A HN 0.825 nan 8.150 nan 0.000 0.451 862 I N -5.139 115.493 120.570 0.103 0.000 3.956 862 I HA 0.483 4.652 4.170 -0.001 0.000 0.333 862 I C 1.137 177.339 176.117 0.142 0.000 1.302 862 I CA 0.522 61.898 61.300 0.127 0.000 1.122 862 I CB -0.130 37.985 38.000 0.192 0.000 1.013 862 I HN 0.308 nan 8.210 nan 0.000 0.405 863 G N 1.736 110.619 108.800 0.140 0.000 2.160 863 G HA2 -0.396 3.564 3.960 -0.001 0.000 0.251 863 G HA3 -0.396 3.564 3.960 -0.001 0.000 0.251 863 G C 0.485 175.463 174.900 0.130 0.000 1.008 863 G CA 0.757 45.924 45.100 0.111 0.000 0.724 863 G HN 0.702 nan 8.290 nan 0.000 0.514 864 Y N 0.640 120.971 120.300 0.051 0.000 2.263 864 Y HA 0.339 4.888 4.550 -0.002 0.000 0.292 864 Y C 1.092 176.996 175.900 0.006 0.000 1.130 864 Y CA 1.794 59.903 58.100 0.016 0.000 1.179 864 Y CB 0.488 38.943 38.460 -0.007 0.000 0.998 864 Y HN 0.490 nan 8.280 nan 0.000 0.532 865 E N 0.038 120.259 120.200 0.035 0.000 2.378 865 E HA 0.275 4.625 4.350 -0.001 0.000 0.283 865 E C -2.922 173.715 176.600 0.062 0.000 0.979 865 E CA -2.334 54.038 56.400 -0.047 0.000 0.795 865 E CB 1.713 31.361 29.700 -0.087 0.000 1.221 865 E HN -0.143 nan 8.360 nan 0.000 0.428 866 P HA 0.061 nan 4.420 nan 0.000 0.268 866 P C -0.644 176.697 177.300 0.069 0.000 1.205 866 P CA -0.459 62.683 63.100 0.069 0.000 0.771 866 P CB 0.320 32.041 31.700 0.034 0.000 0.858 867 L N 2.876 124.156 121.223 0.095 0.000 2.453 867 L HA 0.124 4.463 4.340 -0.001 0.000 0.272 867 L C 0.571 177.423 176.870 -0.030 0.000 1.182 867 L CA 0.304 55.154 54.840 0.015 0.000 0.858 867 L CB 0.106 42.092 42.059 -0.121 0.000 1.120 867 L HN 0.348 nan 8.230 nan 0.000 0.474 868 S N 4.503 120.157 115.700 -0.077 0.000 2.546 868 S HA 0.035 4.504 4.470 -0.001 0.000 0.290 868 S C 1.483 175.986 174.600 -0.161 0.000 1.290 868 S CA -0.261 57.849 58.200 -0.150 0.000 1.069 868 S CB 0.121 63.151 63.200 -0.283 0.000 0.846 868 S HN 0.705 nan 8.310 nan 0.000 0.495 869 L N 4.250 125.407 121.223 -0.110 0.000 2.127 869 L HA -0.128 4.211 4.340 -0.001 0.000 0.211 869 L C 2.683 179.492 176.870 -0.101 0.000 1.089 869 L CA 1.586 56.380 54.840 -0.076 0.000 0.757 869 L CB -1.398 40.632 42.059 -0.048 0.000 0.899 869 L HN 0.766 nan 8.230 nan 0.000 0.434 870 T N -1.507 112.948 114.554 -0.166 0.000 2.653 870 T HA -0.267 4.083 4.350 -0.001 0.000 0.267 870 T C 1.392 176.035 174.700 -0.095 0.000 1.037 870 T CA 1.699 63.690 62.100 -0.181 0.000 1.159 870 T CB -0.419 68.246 68.868 -0.339 0.000 0.859 870 T HN 0.379 nan 8.240 nan 0.000 0.449 871 H N 0.377 119.389 119.070 -0.097 0.000 2.555 871 H HA 0.267 4.823 4.556 -0.001 0.000 0.283 871 H C 1.610 176.825 175.328 -0.188 0.000 1.037 871 H CA 0.131 56.090 56.048 -0.149 0.000 1.169 871 H CB 0.192 29.844 29.762 -0.184 0.000 1.375 871 H HN 0.218 nan 8.280 nan 0.000 0.582 872 R N 0.050 120.529 120.500 -0.036 0.000 2.446 872 R HA 0.054 4.394 4.340 -0.001 0.000 0.254 872 R C -0.151 176.133 176.300 -0.027 0.000 0.918 872 R CA -0.023 56.063 56.100 -0.023 0.000 1.069 872 R CB 0.736 31.046 30.300 0.016 0.000 1.194 872 R HN 0.105 nan 8.270 nan 0.000 0.534 873 D N 2.015 122.386 120.400 -0.049 0.000 2.468 873 D HA 0.106 4.745 4.640 -0.001 0.000 0.218 873 D C 0.787 177.008 176.300 -0.131 0.000 1.155 873 D CA -0.006 53.957 54.000 -0.062 0.000 0.924 873 D CB 0.727 41.499 40.800 -0.047 0.000 1.029 873 D HN -0.077 nan 8.370 nan 0.000 0.515 874 K N 2.340 122.637 120.400 -0.172 0.000 2.107 874 K HA -0.251 4.069 4.320 -0.001 0.000 0.211 874 K C 1.356 177.762 176.600 -0.324 0.000 1.049 874 K CA 1.211 57.277 56.287 -0.368 0.000 0.927 874 K CB -0.123 32.278 32.500 -0.166 0.000 0.714 874 K HN 0.399 nan 8.250 nan 0.000 0.452 875 N N 1.337 119.958 118.700 -0.132 0.000 2.043 875 N HA -0.161 4.579 4.740 -0.001 0.000 0.193 875 N C 1.681 177.152 175.510 -0.066 0.000 1.037 875 N CA 1.400 54.412 53.050 -0.064 0.000 0.851 875 N CB -0.237 38.236 38.487 -0.023 0.000 1.027 875 N HN 0.294 nan 8.380 nan 0.000 0.422 876 K N 0.165 120.526 120.400 -0.065 0.000 2.097 876 K HA -0.040 4.279 4.320 -0.001 0.000 0.206 876 K C 1.908 178.489 176.600 -0.031 0.000 1.049 876 K CA 0.893 57.161 56.287 -0.031 0.000 0.933 876 K CB -0.108 32.383 32.500 -0.015 0.000 0.717 876 K HN 0.034 nan 8.250 nan 0.000 0.442 877 M N 1.136 120.663 119.600 -0.122 0.000 2.394 877 M HA -0.101 4.378 4.480 -0.001 0.000 0.264 877 M C 1.312 177.560 176.300 -0.086 0.000 1.073 877 M CA 1.359 56.572 55.300 -0.145 0.000 1.111 877 M CB 0.007 32.417 32.600 -0.316 0.000 1.401 877 M HN -0.022 nan 8.290 nan 0.000 0.448 878 D N -0.309 120.032 120.400 -0.098 0.000 2.103 878 D HA -0.110 4.529 4.640 -0.001 0.000 0.199 878 D C 2.106 178.491 176.300 0.141 0.000 0.978 878 D CA 2.118 56.229 54.000 0.186 0.000 0.829 878 D CB 0.070 41.012 40.800 0.237 0.000 0.981 878 D HN 0.338 nan 8.370 nan 0.000 0.464 879 M N -0.070 119.574 119.600 0.074 0.000 2.279 879 M HA 0.024 4.504 4.480 -0.001 0.000 0.264 879 M C 2.465 178.807 176.300 0.070 0.000 1.062 879 M CA 1.167 56.506 55.300 0.065 0.000 1.099 879 M CB -1.345 31.277 32.600 0.036 0.000 1.394 879 M HN 0.159 nan 8.290 nan 0.000 0.426 880 I N -0.617 119.999 120.570 0.077 0.000 2.233 880 I HA -0.234 3.936 4.170 -0.001 0.000 0.243 880 I C 2.717 178.899 176.117 0.107 0.000 1.093 880 I CA 1.175 62.530 61.300 0.092 0.000 1.380 880 I CB -0.632 37.441 38.000 0.122 0.000 1.067 880 I HN 0.569 nan 8.210 nan 0.000 0.413 881 C N 0.749 120.132 119.300 0.138 0.000 2.413 881 C HA -0.145 4.315 4.460 -0.001 0.000 0.277 881 C C 2.924 178.025 174.990 0.185 0.000 1.228 881 C CA 0.773 59.901 59.018 0.184 0.000 1.731 881 C CB -1.167 26.731 27.740 0.264 0.000 2.042 881 C HN 0.404 nan 8.230 nan 0.000 0.468 882 R N 0.776 121.373 120.500 0.162 0.000 2.112 882 R HA -0.221 4.119 4.340 -0.001 0.000 0.242 882 R C 1.970 178.340 176.300 0.116 0.000 1.137 882 R CA 2.257 58.436 56.100 0.131 0.000 0.944 882 R CB -0.819 29.545 30.300 0.107 0.000 0.857 882 R HN 0.617 nan 8.270 nan 0.000 0.435 883 N N 1.011 119.771 118.700 0.100 0.000 2.039 883 N HA -0.159 4.581 4.740 -0.001 0.000 0.193 883 N C 1.933 177.512 175.510 0.114 0.000 1.044 883 N CA 1.962 55.060 53.050 0.081 0.000 0.847 883 N CB -0.236 38.279 38.487 0.046 0.000 1.030 883 N HN 0.321 nan 8.380 nan 0.000 0.422 884 I N -1.830 118.821 120.570 0.136 0.000 2.264 884 I HA -0.198 3.972 4.170 -0.001 0.000 0.248 884 I C 1.501 177.809 176.117 0.319 0.000 1.111 884 I CA 1.368 62.779 61.300 0.185 0.000 1.382 884 I CB -0.592 37.451 38.000 0.071 0.000 1.060 884 I HN 0.067 nan 8.210 nan 0.000 0.418 885 N N 1.423 120.316 118.700 0.323 0.000 2.104 885 N HA -0.193 4.547 4.740 -0.001 0.000 0.190 885 N C 1.993 177.601 175.510 0.162 0.000 1.024 885 N CA 1.313 54.500 53.050 0.229 0.000 0.853 885 N CB -0.562 38.010 38.487 0.142 0.000 1.008 885 N HN 0.448 nan 8.380 nan 0.000 0.424 886 R N 1.264 121.841 120.500 0.129 0.000 2.070 886 R HA -0.037 4.302 4.340 -0.001 0.000 0.233 886 R C 1.637 177.991 176.300 0.091 0.000 1.137 886 R CA 1.098 57.246 56.100 0.081 0.000 0.945 886 R CB -0.003 30.339 30.300 0.071 0.000 0.845 886 R HN 0.081 nan 8.270 nan 0.000 0.430 887 K N -0.420 120.053 120.400 0.123 0.000 2.147 887 K HA -0.177 4.142 4.320 -0.001 0.000 0.205 887 K C 1.944 178.628 176.600 0.139 0.000 1.049 887 K CA 1.442 57.797 56.287 0.114 0.000 0.936 887 K CB -0.670 31.896 32.500 0.109 0.000 0.722 887 K HN 0.460 nan 8.250 nan 0.000 0.446 888 H N 0.719 119.850 119.070 0.101 0.000 2.326 888 H HA 0.022 4.577 4.556 -0.000 0.000 0.301 888 H C 2.356 177.682 175.328 -0.004 0.000 1.081 888 H CA 1.838 57.948 56.048 0.103 0.000 1.334 888 H CB 0.209 30.080 29.762 0.181 0.000 1.385 888 H HN 0.056 nan 8.280 nan 0.000 0.504 889 R N 0.126 120.687 120.500 0.102 0.000 2.097 889 R HA -0.178 4.162 4.340 -0.001 0.000 0.236 889 R C 1.968 178.059 176.300 -0.348 0.000 1.135 889 R CA 1.981 57.959 56.100 -0.203 0.000 0.934 889 R CB -0.188 29.975 30.300 -0.230 0.000 0.846 889 R HN 0.449 nan 8.270 nan 0.000 0.431 890 N N 0.238 118.853 118.700 -0.141 0.000 2.205 890 N HA -0.163 4.577 4.740 -0.001 0.000 0.186 890 N C 1.554 177.059 175.510 -0.008 0.000 1.015 890 N CA 1.363 54.408 53.050 -0.008 0.000 0.862 890 N CB -0.299 38.243 38.487 0.091 0.000 0.986 890 N HN 0.334 nan 8.380 nan 0.000 0.429 891 A N 1.318 124.119 122.820 -0.033 0.000 1.858 891 A HA -0.168 4.152 4.320 -0.001 0.000 0.216 891 A C 2.202 179.759 177.584 -0.045 0.000 1.190 891 A CA 1.246 53.263 52.037 -0.035 0.000 0.617 891 A CB -0.611 18.366 19.000 -0.038 0.000 0.827 891 A HN 0.301 nan 8.150 nan 0.000 0.443 892 Q N -1.242 118.515 119.800 -0.072 0.000 2.050 892 Q HA -0.120 4.220 4.340 -0.001 0.000 0.202 892 Q C 1.972 178.076 176.000 0.173 0.000 0.980 892 Q CA 1.583 57.400 55.803 0.023 0.000 0.840 892 Q CB -0.316 28.443 28.738 0.035 0.000 0.898 892 Q HN 0.802 nan 8.270 nan 0.000 0.424 893 F N 0.369 120.251 119.950 -0.113 0.000 2.134 893 F HA -0.254 4.272 4.527 -0.000 0.000 0.299 893 F C 2.513 178.026 175.800 -0.479 0.000 1.097 893 F CA 0.192 58.091 58.000 -0.168 0.000 1.264 893 F CB -0.174 38.812 39.000 -0.022 0.000 1.001 893 F HN 0.157 nan 8.300 nan 0.000 0.479 894 A N 0.626 123.154 122.820 -0.485 0.000 1.865 894 A HA -0.180 4.139 4.320 -0.001 0.000 0.217 894 A C 2.430 179.910 177.584 -0.174 0.000 1.191 894 A CA 1.992 53.700 52.037 -0.549 0.000 0.623 894 A CB -1.635 17.214 19.000 -0.251 0.000 0.826 894 A HN 0.408 nan 8.150 nan 0.000 0.444 895 G N -1.321 107.441 108.800 -0.064 0.000 2.448 895 G HA2 -0.183 3.777 3.960 -0.001 0.000 0.219 895 G HA3 -0.183 3.777 3.960 -0.001 0.000 0.219 895 G C 1.729 176.638 174.900 0.015 0.000 1.127 895 G CA 0.764 45.868 45.100 0.007 0.000 0.766 895 G HN 0.511 nan 8.290 nan 0.000 0.552 896 R N 0.053 120.556 120.500 0.004 0.000 2.161 896 R HA 0.187 4.527 4.340 -0.001 0.000 0.213 896 R C 2.874 179.188 176.300 0.024 0.000 1.055 896 R CA 0.754 56.861 56.100 0.011 0.000 0.996 896 R CB -0.100 30.198 30.300 -0.004 0.000 0.901 896 R HN 0.347 nan 8.270 nan 0.000 0.456 897 A N 0.235 123.063 122.820 0.013 0.000 1.968 897 A HA -0.112 4.208 4.320 -0.001 0.000 0.217 897 A C 2.153 179.811 177.584 0.124 0.000 1.169 897 A CA 1.463 53.538 52.037 0.064 0.000 0.638 897 A CB -0.341 18.711 19.000 0.086 0.000 0.812 897 A HN 0.236 nan 8.150 nan 0.000 0.446 898 S N -0.084 115.683 115.700 0.111 0.000 2.348 898 S HA -0.129 4.340 4.470 -0.001 0.000 0.221 898 S C 1.926 176.687 174.600 0.269 0.000 1.033 898 S CA 1.474 59.791 58.200 0.195 0.000 1.010 898 S CB -0.515 62.753 63.200 0.114 0.000 0.891 898 S HN 0.496 nan 8.310 nan 0.000 0.442 899 I N 1.175 121.834 120.570 0.147 0.000 2.208 899 I HA -0.199 3.970 4.170 -0.001 0.000 0.245 899 I C 2.541 178.732 176.117 0.124 0.000 1.097 899 I CA 1.630 63.005 61.300 0.125 0.000 1.363 899 I CB -0.559 37.488 38.000 0.079 0.000 1.051 899 I HN 0.412 nan 8.210 nan 0.000 0.413 900 E N -0.116 120.155 120.200 0.117 0.000 2.150 900 E HA -0.253 4.097 4.350 -0.001 0.000 0.193 900 E C 2.029 178.679 176.600 0.084 0.000 0.985 900 E CA 1.210 57.658 56.400 0.081 0.000 0.814 900 E CB -0.121 29.630 29.700 0.084 0.000 0.752 900 E HN 0.517 nan 8.360 nan 0.000 0.466 901 Y N -0.462 119.859 120.300 0.034 0.000 2.243 901 Y HA -0.216 4.334 4.550 -0.001 0.000 0.293 901 Y C 1.651 177.508 175.900 -0.070 0.000 1.124 901 Y CA 1.352 59.444 58.100 -0.013 0.000 1.159 901 Y CB -0.156 38.306 38.460 0.003 0.000 1.008 901 Y HN 0.006 nan 8.280 nan 0.000 0.527 902 Y N -0.796 119.464 120.300 -0.068 0.000 2.163 902 Y HA -0.225 4.325 4.550 -0.001 0.000 0.288 902 Y C 2.614 178.354 175.900 -0.266 0.000 1.136 902 Y CA 1.895 59.900 58.100 -0.159 0.000 1.147 902 Y CB -0.850 37.590 38.460 -0.034 0.000 0.987 902 Y HN -0.073 nan 8.280 nan 0.000 0.509 903 V N -0.345 119.463 119.914 -0.177 0.000 2.453 903 V HA -0.339 3.781 4.120 -0.001 0.000 0.252 903 V C 2.438 178.316 176.094 -0.360 0.000 1.068 903 V CA 2.025 64.032 62.300 -0.488 0.000 1.070 903 V CB -1.403 30.025 31.823 -0.658 0.000 0.664 903 V HN 0.617 nan 8.190 nan 0.000 0.461 904 G N -1.408 107.219 108.800 -0.288 0.000 2.404 904 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.215 904 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.215 904 G C 1.488 176.211 174.900 -0.296 0.000 1.174 904 G CA 0.482 45.422 45.100 -0.267 0.000 0.780 904 G HN 0.456 nan 8.290 nan 0.000 0.537 905 Q N 0.192 119.746 119.800 -0.410 0.000 2.083 905 Q HA 0.004 4.344 4.340 -0.001 0.000 0.198 905 Q C 2.991 178.867 176.000 -0.207 0.000 0.969 905 Q CA 0.794 56.387 55.803 -0.350 0.000 0.838 905 Q CB -0.821 27.622 28.738 -0.490 0.000 0.900 905 Q HN 0.374 nan 8.270 nan 0.000 0.436 906 V N 1.213 121.020 119.914 -0.179 0.000 2.332 906 V HA -0.265 3.854 4.120 -0.001 0.000 0.248 906 V C 2.317 178.368 176.094 -0.072 0.000 1.055 906 V CA 1.679 63.924 62.300 -0.092 0.000 1.038 906 V CB -0.502 31.279 31.823 -0.069 0.000 0.651 906 V HN 0.347 nan 8.190 nan 0.000 0.450 907 M N -1.208 118.327 119.600 -0.108 0.000 2.254 907 M HA -0.102 4.377 4.480 -0.001 0.000 0.265 907 M C 2.406 178.676 176.300 -0.049 0.000 1.066 907 M CA 1.394 56.662 55.300 -0.053 0.000 1.123 907 M CB -0.403 32.163 32.600 -0.057 0.000 1.388 907 M HN 0.197 nan 8.290 nan 0.000 0.425 908 R N 0.775 121.226 120.500 -0.082 0.000 2.062 908 R HA -0.121 4.219 4.340 -0.001 0.000 0.231 908 R C 1.761 178.030 176.300 -0.052 0.000 1.136 908 R CA 1.586 57.644 56.100 -0.070 0.000 0.948 908 R CB -0.180 30.061 30.300 -0.098 0.000 0.845 908 R HN 0.352 nan 8.270 nan 0.000 0.430 909 N N 1.258 119.922 118.700 -0.061 0.000 2.043 909 N HA -0.151 4.588 4.740 -0.001 0.000 0.193 909 N C 1.117 176.618 175.510 -0.016 0.000 1.037 909 N CA 1.357 54.383 53.050 -0.039 0.000 0.851 909 N CB -0.613 37.850 38.487 -0.040 0.000 1.027 909 N HN 0.272 nan 8.380 nan 0.000 0.422 910 N N 1.581 120.277 118.700 -0.007 0.000 2.449 910 N HA -0.021 4.719 4.740 -0.001 0.000 0.191 910 N C -0.542 174.974 175.510 0.011 0.000 1.161 910 N CA 0.088 53.144 53.050 0.011 0.000 0.863 910 N CB -0.019 38.485 38.487 0.029 0.000 0.980 910 N HN 0.364 nan 8.380 nan 0.000 0.458 911 E N -0.293 119.908 120.200 0.001 0.000 2.238 911 E HA -0.222 4.128 4.350 -0.001 0.000 0.219 911 E C -0.117 176.493 176.600 0.016 0.000 1.275 911 E CA 0.384 56.786 56.400 0.004 0.000 0.714 911 E CB -1.685 28.017 29.700 0.005 0.000 1.154 911 E HN 0.533 nan 8.360 nan 0.000 0.363 912 S N 0.603 116.317 115.700 0.024 0.000 2.586 912 S HA 0.402 4.871 4.470 -0.001 0.000 0.274 912 S C 0.265 174.895 174.600 0.050 0.000 1.281 912 S CA -0.069 58.158 58.200 0.045 0.000 1.035 912 S CB 1.304 64.547 63.200 0.072 0.000 0.962 912 S HN 0.074 nan 8.310 nan 0.000 0.512 913 T N 3.482 118.067 114.554 0.052 0.000 2.771 913 T HA 0.539 4.888 4.350 -0.001 0.000 0.281 913 T C -0.780 173.959 174.700 0.065 0.000 0.982 913 T CA -0.350 61.780 62.100 0.051 0.000 0.978 913 T CB 0.537 69.427 68.868 0.036 0.000 0.930 913 T HN 0.639 nan 8.240 nan 0.000 0.447 914 E N 1.376 121.623 120.200 0.078 0.000 2.359 914 E HA 0.340 4.690 4.350 -0.001 0.000 0.266 914 E C -0.344 176.298 176.600 0.071 0.000 0.920 914 E CA -0.712 55.743 56.400 0.091 0.000 0.788 914 E CB 1.920 31.723 29.700 0.171 0.000 1.279 914 E HN 0.530 nan 8.360 nan 0.000 0.438 915 T N -0.049 114.539 114.554 0.056 0.000 2.728 915 T HA 0.572 4.921 4.350 -0.001 0.000 0.296 915 T C 0.073 174.837 174.700 0.107 0.000 0.940 915 T CA -0.333 61.797 62.100 0.050 0.000 1.013 915 T CB 0.178 69.059 68.868 0.023 0.000 0.912 915 T HN 0.472 nan 8.240 nan 0.000 0.484 916 G N 3.157 112.019 108.800 0.104 0.000 2.537 916 G HA2 0.654 4.614 3.960 -0.001 0.000 0.323 916 G HA3 0.654 4.614 3.960 -0.001 0.000 0.323 916 G C -1.911 173.102 174.900 0.188 0.000 1.207 916 G CA -0.676 44.531 45.100 0.179 0.000 0.976 916 G HN 0.673 nan 8.290 nan 0.000 0.487 917 Y N -0.855 119.521 120.300 0.127 0.000 2.442 917 Y HA 0.394 4.943 4.550 -0.000 0.000 0.344 917 Y C 0.036 176.029 175.900 0.155 0.000 0.976 917 Y CA -0.682 57.520 58.100 0.170 0.000 1.040 917 Y CB 2.661 41.261 38.460 0.234 0.000 1.228 917 Y HN 0.326 nan 8.280 nan 0.000 0.451 918 V N 5.739 125.804 119.914 0.252 0.000 2.405 918 V HA 0.080 4.200 4.120 -0.001 0.000 0.264 918 V C 0.867 177.046 176.094 0.141 0.000 1.048 918 V CA 0.098 62.493 62.300 0.159 0.000 0.966 918 V CB 0.085 31.970 31.823 0.103 0.000 1.015 918 V HN 0.772 nan 8.190 nan 0.000 0.477 919 I N 1.325 121.958 120.570 0.104 0.000 4.018 919 I HA 0.557 4.726 4.170 -0.001 0.000 0.337 919 I C 0.431 176.518 176.117 -0.049 0.000 1.327 919 I CA 0.065 61.397 61.300 0.052 0.000 1.100 919 I CB 0.217 38.280 38.000 0.105 0.000 1.025 919 I HN 0.460 nan 8.210 nan 0.000 0.396 920 K N 0.667 121.020 120.400 -0.077 0.000 2.572 920 K HA 0.660 4.980 4.320 -0.001 0.000 0.263 920 K C -1.840 174.630 176.600 -0.216 0.000 0.932 920 K CA -0.461 55.709 56.287 -0.196 0.000 0.838 920 K CB 2.708 35.092 32.500 -0.193 0.000 1.366 920 K HN -0.074 nan 8.250 nan 0.000 0.425 921 V N 4.785 124.519 119.914 -0.299 0.000 2.482 921 V HA 0.563 4.683 4.120 -0.001 0.000 0.295 921 V C -0.926 174.989 176.094 -0.299 0.000 1.026 921 V CA -0.673 61.547 62.300 -0.134 0.000 0.856 921 V CB 0.849 32.741 31.823 0.115 0.000 1.001 921 V HN 0.618 nan 8.190 nan 0.000 0.424 922 F N 1.722 121.534 119.950 -0.230 0.000 2.525 922 F HA 0.486 5.013 4.527 -0.001 0.000 0.346 922 F C 1.590 176.677 175.800 -1.189 0.000 1.072 922 F CA -0.694 56.960 58.000 -0.577 0.000 1.033 922 F CB 0.827 39.613 39.000 -0.357 0.000 1.324 922 F HN 0.377 nan 8.300 nan 0.000 0.491 923 N N 0.786 118.781 118.700 -1.176 0.000 2.331 923 N HA -0.140 4.600 4.740 -0.001 0.000 0.180 923 N C 0.400 175.707 175.510 -0.339 0.000 1.019 923 N CA 1.077 53.573 53.050 -0.922 0.000 0.881 923 N CB -0.209 37.997 38.487 -0.470 0.000 0.972 923 N HN 0.684 nan 8.380 nan 0.000 0.435 924 N N -0.785 117.767 118.700 -0.247 0.000 2.377 924 N HA 0.233 4.972 4.740 -0.001 0.000 0.259 924 N C -0.053 175.345 175.510 -0.187 0.000 1.332 924 N CA -0.188 52.752 53.050 -0.183 0.000 0.877 924 N CB 0.603 38.994 38.487 -0.161 0.000 1.299 924 N HN 0.067 nan 8.380 nan 0.000 0.501 925 G N 0.346 109.060 108.800 -0.143 0.000 2.328 925 G HA2 0.412 4.372 3.960 -0.001 0.000 0.295 925 G HA3 0.412 4.372 3.960 -0.001 0.000 0.295 925 G C -1.637 173.264 174.900 0.003 0.000 1.413 925 G CA -0.836 44.190 45.100 -0.123 0.000 0.817 925 G HN 0.324 nan 8.290 nan 0.000 0.546 926 I N -2.418 118.133 120.570 -0.032 0.000 3.108 926 I HA 0.910 5.080 4.170 -0.001 0.000 0.312 926 I C -0.927 175.175 176.117 -0.025 0.000 1.095 926 I CA -1.502 59.804 61.300 0.010 0.000 1.000 926 I CB 2.229 40.227 38.000 -0.004 0.000 1.229 926 I HN 0.354 nan 8.210 nan 0.000 0.454 927 V N 3.546 123.451 119.914 -0.015 0.000 2.448 927 V HA 0.487 4.607 4.120 -0.001 0.000 0.295 927 V C -0.115 176.005 176.094 0.044 0.000 1.025 927 V CA -0.588 61.696 62.300 -0.027 0.000 0.859 927 V CB 1.779 33.581 31.823 -0.036 0.000 0.988 927 V HN 0.549 nan 8.190 nan 0.000 0.431 928 V N 5.619 125.574 119.914 0.069 0.000 2.513 928 V HA 0.503 4.623 4.120 -0.001 0.000 0.299 928 V C -0.300 175.886 176.094 0.153 0.000 1.035 928 V CA -0.706 61.664 62.300 0.117 0.000 0.889 928 V CB 1.891 33.777 31.823 0.104 0.000 0.988 928 V HN 0.718 nan 8.190 nan 0.000 0.440 929 L N 5.248 126.588 121.223 0.195 0.000 2.312 929 L HA 0.576 4.916 4.340 -0.001 0.000 0.281 929 L C -0.277 176.732 176.870 0.231 0.000 1.070 929 L CA 0.129 55.096 54.840 0.212 0.000 0.805 929 L CB 1.603 43.785 42.059 0.206 0.000 1.174 929 L HN 0.484 nan 8.230 nan 0.000 0.434 930 V N 7.641 127.692 119.914 0.228 0.000 2.240 930 V HA 0.269 4.388 4.120 -0.001 0.000 0.265 930 V C -1.524 174.689 176.094 0.198 0.000 1.073 930 V CA -1.113 61.327 62.300 0.233 0.000 0.857 930 V CB 0.352 32.356 31.823 0.302 0.000 1.114 930 V HN 0.743 nan 8.190 nan 0.000 0.469 931 P HA -0.269 nan 4.420 nan 0.000 0.219 931 P C 1.809 179.113 177.300 0.007 0.000 1.158 931 P CA 1.547 64.697 63.100 0.083 0.000 0.895 931 P CB 0.337 31.975 31.700 -0.104 0.000 0.792 932 K N -1.124 119.202 120.400 -0.123 0.000 2.034 932 K HA -0.175 4.145 4.320 -0.001 0.000 0.214 932 K C 1.762 178.136 176.600 -0.376 0.000 1.051 932 K CA 1.849 57.926 56.287 -0.349 0.000 0.931 932 K CB -0.463 31.649 32.500 -0.647 0.000 0.715 932 K HN 0.147 nan 8.250 nan 0.000 0.446 933 F N -0.359 119.625 119.950 0.057 0.000 2.749 933 F HA 0.249 4.775 4.527 -0.001 0.000 0.300 933 F C 1.059 176.898 175.800 0.065 0.000 1.103 933 F CA 0.168 58.201 58.000 0.055 0.000 1.342 933 F CB 0.488 39.522 39.000 0.056 0.000 1.098 933 F HN 0.170 nan 8.300 nan 0.000 0.586 934 G N 2.135 111.075 108.800 0.233 0.000 2.370 934 G HA2 -0.163 3.797 3.960 -0.001 0.000 0.293 934 G HA3 -0.163 3.797 3.960 -0.001 0.000 0.293 934 G C -0.636 174.397 174.900 0.222 0.000 0.992 934 G CA 0.131 45.375 45.100 0.241 0.000 1.247 934 G HN 0.226 nan 8.290 nan 0.000 0.505 935 V N 0.788 120.849 119.914 0.246 0.000 2.808 935 V HA 0.467 4.587 4.120 -0.001 0.000 0.308 935 V C 0.109 176.321 176.094 0.195 0.000 1.099 935 V CA -0.992 61.426 62.300 0.196 0.000 0.920 935 V CB 2.109 34.030 31.823 0.164 0.000 1.014 935 V HN 0.578 nan 8.190 nan 0.000 0.425 936 E N 2.141 122.449 120.200 0.181 0.000 2.248 936 E HA 0.742 5.092 4.350 -0.001 0.000 0.272 936 E C -0.025 176.669 176.600 0.156 0.000 1.008 936 E CA -0.485 56.024 56.400 0.181 0.000 0.856 936 E CB 2.188 32.020 29.700 0.220 0.000 1.120 936 E HN 0.836 nan 8.360 nan 0.000 0.397 937 G N 0.638 109.518 108.800 0.134 0.000 2.695 937 G HA2 0.485 4.445 3.960 -0.001 0.000 0.290 937 G HA3 0.485 4.445 3.960 -0.001 0.000 0.290 937 G C -1.881 173.048 174.900 0.047 0.000 1.410 937 G CA -0.737 44.425 45.100 0.105 0.000 0.844 937 G HN 0.307 nan 8.290 nan 0.000 0.478 938 L N 0.866 122.096 121.223 0.011 0.000 2.280 938 L HA 0.663 5.003 4.340 -0.001 0.000 0.287 938 L C -0.542 176.281 176.870 -0.077 0.000 1.023 938 L CA -0.703 54.072 54.840 -0.107 0.000 0.819 938 L CB 0.886 42.843 42.059 -0.169 0.000 1.212 938 L HN 0.378 nan 8.230 nan 0.000 0.420 939 I N 5.529 126.047 120.570 -0.086 0.000 2.301 939 I HA 0.356 4.526 4.170 -0.001 0.000 0.292 939 I C 0.437 176.469 176.117 -0.142 0.000 1.046 939 I CA -0.371 60.872 61.300 -0.094 0.000 1.282 939 I CB 0.450 38.402 38.000 -0.080 0.000 1.409 939 I HN 0.555 nan 8.210 nan 0.000 0.484 940 R N 3.774 124.184 120.500 -0.151 0.000 2.582 940 R HA 0.154 4.494 4.340 -0.001 0.000 0.271 940 R C 1.085 177.262 176.300 -0.206 0.000 1.078 940 R CA -0.719 55.268 56.100 -0.187 0.000 1.127 940 R CB 0.832 31.011 30.300 -0.201 0.000 1.038 940 R HN 0.535 nan 8.270 nan 0.000 0.500 941 L N 2.274 123.368 121.223 -0.216 0.000 2.012 941 L HA -0.216 4.123 4.340 -0.001 0.000 0.210 941 L C 1.479 178.229 176.870 -0.199 0.000 1.073 941 L CA 2.099 56.800 54.840 -0.232 0.000 0.748 941 L CB -0.383 41.564 42.059 -0.186 0.000 0.891 941 L HN 0.766 nan 8.230 nan 0.000 0.431 942 D N -2.506 117.797 120.400 -0.162 0.000 2.349 942 D HA -0.105 4.535 4.640 -0.001 0.000 0.224 942 D C 1.061 177.296 176.300 -0.109 0.000 1.029 942 D CA 0.279 54.207 54.000 -0.120 0.000 0.879 942 D CB -0.719 40.020 40.800 -0.103 0.000 0.906 942 D HN 0.413 nan 8.370 nan 0.000 0.528 943 N N 0.018 118.641 118.700 -0.129 0.000 2.280 943 N HA 0.136 4.875 4.740 -0.001 0.000 0.192 943 N C 1.182 176.623 175.510 -0.115 0.000 1.109 943 N CA 0.077 53.066 53.050 -0.101 0.000 0.855 943 N CB 0.901 39.333 38.487 -0.092 0.000 0.974 943 N HN 0.292 nan 8.380 nan 0.000 0.482 944 L N -1.090 120.023 121.223 -0.183 0.000 2.638 944 L HA 0.203 4.543 4.340 -0.001 0.000 0.232 944 L C 0.561 177.341 176.870 -0.151 0.000 1.099 944 L CA 0.319 54.998 54.840 -0.270 0.000 0.883 944 L CB 0.768 42.444 42.059 -0.639 0.000 1.136 944 L HN -0.109 nan 8.230 nan 0.000 0.492 945 T N -1.720 112.787 114.554 -0.077 0.000 2.942 945 T HA 0.188 4.537 4.350 -0.001 0.000 0.327 945 T C 0.107 174.815 174.700 0.013 0.000 1.360 945 T CA -0.463 61.659 62.100 0.036 0.000 1.055 945 T CB 1.652 70.569 68.868 0.082 0.000 1.261 945 T HN 0.102 nan 8.240 nan 0.000 0.485 946 E N 1.129 121.350 120.200 0.035 0.000 2.358 946 E HA 0.046 4.396 4.350 -0.001 0.000 0.195 946 E C -0.349 176.265 176.600 0.023 0.000 1.010 946 E CA 0.418 56.830 56.400 0.021 0.000 0.856 946 E CB 0.291 30.006 29.700 0.026 0.000 0.795 946 E HN 0.510 nan 8.360 nan 0.000 0.504 947 D N -0.031 120.390 120.400 0.036 0.000 2.440 947 D HA 0.079 4.718 4.640 -0.001 0.000 0.252 947 D C -1.880 174.442 176.300 0.037 0.000 1.180 947 D CA -2.290 51.731 54.000 0.034 0.000 0.894 947 D CB 1.422 42.247 40.800 0.042 0.000 1.111 947 D HN -0.238 nan 8.370 nan 0.000 0.544 948 P HA -0.042 nan 4.420 nan 0.000 0.218 948 P C 0.726 178.040 177.300 0.023 0.000 1.152 948 P CA 0.494 63.597 63.100 0.006 0.000 0.826 948 P CB 0.409 32.095 31.700 -0.023 0.000 0.790 949 N N 0.302 119.016 118.700 0.023 0.000 2.585 949 N HA -0.090 4.650 4.740 -0.001 0.000 0.188 949 N C 1.370 176.902 175.510 0.037 0.000 1.102 949 N CA 1.233 54.299 53.050 0.027 0.000 0.920 949 N CB -0.619 37.883 38.487 0.025 0.000 0.963 949 N HN 0.278 nan 8.380 nan 0.000 0.447 950 S N -1.738 113.989 115.700 0.045 0.000 2.572 950 S HA 0.475 4.945 4.470 -0.001 0.000 0.228 950 S C 0.561 175.200 174.600 0.065 0.000 0.963 950 S CA -0.686 57.544 58.200 0.049 0.000 0.939 950 S CB 0.156 63.384 63.200 0.046 0.000 0.804 950 S HN 0.203 nan 8.310 nan 0.000 0.480 951 A N 1.270 124.136 122.820 0.076 0.000 2.340 951 A HA 0.810 5.130 4.320 -0.001 0.000 0.268 951 A C 0.315 177.959 177.584 0.100 0.000 1.100 951 A CA -0.212 51.889 52.037 0.107 0.000 0.803 951 A CB 0.422 19.486 19.000 0.107 0.000 1.043 951 A HN 0.930 nan 8.150 nan 0.000 0.488 952 A N 1.243 124.130 122.820 0.111 0.000 2.303 952 A HA 0.661 4.981 4.320 -0.001 0.000 0.320 952 A C -0.970 176.715 177.584 0.168 0.000 1.192 952 A CA -0.344 51.752 52.037 0.099 0.000 0.821 952 A CB 0.390 19.415 19.000 0.041 0.000 1.188 952 A HN 1.149 nan 8.150 nan 0.000 0.492 953 F N 2.404 122.347 119.950 -0.011 0.000 2.482 953 F HA 0.578 5.104 4.527 -0.001 0.000 0.331 953 F C -0.841 174.932 175.800 -0.046 0.000 1.115 953 F CA -1.145 56.840 58.000 -0.025 0.000 0.955 953 F CB 1.769 40.767 39.000 -0.004 0.000 1.136 953 F HN 0.518 nan 8.300 nan 0.000 0.452 954 D N 5.128 125.071 120.400 -0.762 0.000 2.481 954 D HA 0.128 4.768 4.640 -0.001 0.000 0.246 954 D C 0.511 176.158 176.300 -1.088 0.000 1.109 954 D CA -0.108 53.447 54.000 -0.741 0.000 0.845 954 D CB 1.484 42.054 40.800 -0.383 0.000 1.160 954 D HN 0.765 nan 8.370 nan 0.000 0.534 955 E N 2.835 122.450 120.200 -0.975 0.000 2.371 955 E HA -0.067 4.283 4.350 -0.001 0.000 0.194 955 E C 1.366 177.573 176.600 -0.656 0.000 1.012 955 E CA 0.578 56.538 56.400 -0.733 0.000 0.860 955 E CB -0.021 29.462 29.700 -0.362 0.000 0.811 955 E HN 0.314 nan 8.360 nan 0.000 0.502 956 V N -0.853 118.721 119.914 -0.568 0.000 2.599 956 V HA 0.071 4.191 4.120 -0.001 0.000 0.245 956 V C 1.810 177.496 176.094 -0.680 0.000 1.046 956 V CA 0.817 62.790 62.300 -0.545 0.000 1.065 956 V CB -0.174 31.486 31.823 -0.273 0.000 0.703 956 V HN -0.051 nan 8.190 nan 0.000 0.464 957 E N -0.563 119.353 120.200 -0.474 0.000 2.479 957 E HA 0.118 4.467 4.350 -0.001 0.000 0.193 957 E C -0.169 176.387 176.600 -0.074 0.000 1.049 957 E CA -0.247 56.030 56.400 -0.205 0.000 0.870 957 E CB -0.201 29.459 29.700 -0.068 0.000 0.944 957 E HN 0.816 nan 8.360 nan 0.000 0.492 958 Y N 0.369 120.604 120.300 -0.108 0.000 3.027 958 Y HA -0.307 4.243 4.550 -0.001 0.000 0.195 958 Y C 0.403 176.259 175.900 -0.073 0.000 1.381 958 Y CA 0.632 58.682 58.100 -0.082 0.000 1.015 958 Y CB -1.675 36.745 38.460 -0.067 0.000 1.329 958 Y HN -0.084 nan 8.280 nan 0.000 0.462 959 K N 1.093 121.440 120.400 -0.088 0.000 2.482 959 K HA 0.724 5.043 4.320 -0.001 0.000 0.251 959 K C -1.766 174.796 176.600 -0.064 0.000 0.936 959 K CA -1.142 54.980 56.287 -0.275 0.000 0.791 959 K CB 1.376 33.577 32.500 -0.497 0.000 1.213 959 K HN 0.145 nan 8.250 nan 0.000 0.428 960 L N 2.980 124.193 121.223 -0.017 0.000 2.333 960 L HA 0.525 4.865 4.340 -0.001 0.000 0.280 960 L C -1.245 175.694 176.870 0.115 0.000 1.004 960 L CA 0.118 55.050 54.840 0.153 0.000 0.820 960 L CB 2.059 44.236 42.059 0.197 0.000 1.247 960 L HN 0.671 nan 8.230 nan 0.000 0.416 961 T N 5.691 120.322 114.554 0.129 0.000 2.807 961 T HA 0.769 5.119 4.350 -0.001 0.000 0.279 961 T C -0.821 174.001 174.700 0.203 0.000 0.993 961 T CA -0.204 61.939 62.100 0.071 0.000 0.970 961 T CB 0.814 69.676 68.868 -0.010 0.000 0.950 961 T HN 0.459 nan 8.240 nan 0.000 0.441 962 F N -0.261 119.685 119.950 -0.007 0.000 2.773 962 F HA 0.737 5.264 4.527 -0.001 0.000 0.314 962 F C -1.868 173.932 175.800 0.001 0.000 1.160 962 F CA -1.547 56.452 58.000 -0.001 0.000 0.920 962 F CB 0.741 39.739 39.000 -0.003 0.000 1.323 962 F HN 0.232 nan 8.300 nan 0.000 0.457 963 V N 3.150 123.158 119.914 0.157 0.000 2.333 963 V HA 0.415 4.535 4.120 -0.001 0.000 0.274 963 V C -2.142 174.079 176.094 0.211 0.000 1.028 963 V CA -1.763 60.571 62.300 0.057 0.000 0.851 963 V CB 0.799 32.660 31.823 0.064 0.000 1.000 963 V HN 0.580 nan 8.190 nan 0.000 0.456 964 P HA 0.167 nan 4.420 nan 0.000 0.271 964 P C 0.163 177.552 177.300 0.148 0.000 1.233 964 P CA -0.045 63.212 63.100 0.261 0.000 0.789 964 P CB 0.302 32.089 31.700 0.144 0.000 0.951 965 T N -0.687 113.945 114.554 0.130 0.000 2.868 965 T HA 0.337 4.686 4.350 -0.001 0.000 0.292 965 T C 1.249 175.982 174.700 0.055 0.000 1.028 965 T CA 0.843 62.985 62.100 0.070 0.000 1.059 965 T CB -0.771 68.126 68.868 0.048 0.000 0.991 965 T HN 0.724 nan 8.240 nan 0.000 0.531 966 N N -0.841 117.881 118.700 0.036 0.000 2.778 966 N HA -0.186 4.553 4.740 -0.001 0.000 0.249 966 N C 0.200 175.724 175.510 0.024 0.000 1.069 966 N CA 1.254 54.321 53.050 0.028 0.000 0.831 966 N CB -1.784 36.720 38.487 0.027 0.000 1.142 966 N HN 0.945 nan 8.380 nan 0.000 0.573 967 S N -2.731 112.984 115.700 0.026 0.000 2.625 967 S HA 0.627 5.097 4.470 -0.001 0.000 0.271 967 S C -0.525 174.082 174.600 0.012 0.000 1.161 967 S CA 0.622 58.832 58.200 0.015 0.000 0.820 967 S CB 1.856 65.062 63.200 0.010 0.000 1.137 967 S HN 0.393 nan 8.310 nan 0.000 0.470 968 D N 0.121 120.521 120.400 0.000 0.000 2.500 968 D HA 0.308 4.948 4.640 -0.001 0.000 0.218 968 D C -0.475 175.817 176.300 -0.014 0.000 1.140 968 D CA 0.246 54.245 54.000 -0.001 0.000 0.830 968 D CB 0.435 41.236 40.800 0.001 0.000 1.055 968 D HN 0.464 nan 8.370 nan 0.000 0.512 969 K N 1.903 122.285 120.400 -0.031 0.000 2.138 969 K HA 0.407 4.726 4.320 -0.001 0.000 0.263 969 K C -2.488 174.061 176.600 -0.084 0.000 0.965 969 K CA -1.831 54.428 56.287 -0.047 0.000 0.868 969 K CB 1.293 33.766 32.500 -0.046 0.000 1.083 969 K HN -0.007 nan 8.250 nan 0.000 0.443 970 P HA 0.063 nan 4.420 nan 0.000 0.268 970 P C -0.835 176.352 177.300 -0.189 0.000 1.204 970 P CA -0.069 62.958 63.100 -0.122 0.000 0.768 970 P CB 0.717 32.374 31.700 -0.071 0.000 0.842 971 R N 2.304 122.589 120.500 -0.358 0.000 2.494 971 R HA 0.328 4.668 4.340 -0.001 0.000 0.305 971 R C -1.011 175.063 176.300 -0.377 0.000 0.959 971 R CA -0.633 55.209 56.100 -0.430 0.000 0.864 971 R CB 1.045 30.916 30.300 -0.714 0.000 1.159 971 R HN 0.362 nan 8.270 nan 0.000 0.446 972 D N 3.142 123.441 120.400 -0.168 0.000 2.233 972 D HA 0.285 4.925 4.640 -0.001 0.000 0.240 972 D C -0.857 175.441 176.300 -0.004 0.000 1.074 972 D CA -0.195 53.748 54.000 -0.096 0.000 0.838 972 D CB 2.165 42.983 40.800 0.031 0.000 1.124 972 D HN 0.128 nan 8.370 nan 0.000 0.475 973 V N 3.384 123.287 119.914 -0.018 0.000 2.604 973 V HA 0.417 4.537 4.120 -0.001 0.000 0.305 973 V C -0.876 175.206 176.094 -0.019 0.000 1.043 973 V CA -0.610 61.760 62.300 0.117 0.000 0.888 973 V CB 1.275 33.231 31.823 0.222 0.000 0.995 973 V HN 0.399 nan 8.190 nan 0.000 0.429 974 Y N 1.836 122.181 120.300 0.074 0.000 2.630 974 Y HA 0.595 5.144 4.550 -0.001 0.000 0.337 974 Y C 0.254 176.161 175.900 0.011 0.000 1.051 974 Y CA -0.996 57.138 58.100 0.057 0.000 1.121 974 Y CB 1.611 40.106 38.460 0.058 0.000 1.299 974 Y HN 0.367 nan 8.280 nan 0.000 0.498 975 V N 2.367 122.333 119.914 0.087 0.000 2.811 975 V HA 0.053 4.172 4.120 -0.001 0.000 0.302 975 V C -0.333 175.648 176.094 -0.189 0.000 1.063 975 V CA 0.109 62.267 62.300 -0.236 0.000 1.088 975 V CB -0.329 31.114 31.823 -0.634 0.000 0.982 975 V HN 0.765 nan 8.190 nan 0.000 0.485 976 F N 1.957 122.044 119.950 0.228 0.000 2.794 976 F HA -0.156 4.370 4.527 -0.001 0.000 0.335 976 F C 0.426 176.382 175.800 0.261 0.000 0.653 976 F CA 0.507 58.708 58.000 0.335 0.000 1.266 976 F CB -2.460 36.776 39.000 0.392 0.000 1.666 976 F HN 0.550 nan 8.300 nan 0.000 0.314 977 D N 1.774 122.336 120.400 0.271 0.000 2.348 977 D HA 0.235 4.875 4.640 -0.001 0.000 0.253 977 D C 0.492 176.730 176.300 -0.104 0.000 1.161 977 D CA -0.248 53.815 54.000 0.106 0.000 0.876 977 D CB 0.836 41.712 40.800 0.127 0.000 1.160 977 D HN 0.222 nan 8.370 nan 0.000 0.459 978 K N 2.238 122.446 120.400 -0.320 0.000 2.412 978 K HA 0.250 4.570 4.320 -0.001 0.000 0.284 978 K C -0.290 176.160 176.600 -0.251 0.000 1.046 978 K CA -0.340 55.576 56.287 -0.619 0.000 0.999 978 K CB 0.240 32.423 32.500 -0.529 0.000 0.941 978 K HN 0.309 nan 8.250 nan 0.000 0.474 979 V N 0.196 119.998 119.914 -0.187 0.000 3.164 979 V HA 0.599 4.718 4.120 -0.001 0.000 0.313 979 V C -0.938 175.139 176.094 -0.027 0.000 1.188 979 V CA -0.891 61.377 62.300 -0.053 0.000 1.058 979 V CB 1.852 33.682 31.823 0.013 0.000 1.110 979 V HN 0.824 nan 8.190 nan 0.000 0.453 980 E N -0.272 119.934 120.200 0.010 0.000 2.266 980 E HA 0.766 5.115 4.350 -0.001 0.000 0.268 980 E C -1.685 174.940 176.600 0.041 0.000 0.879 980 E CA -0.587 55.828 56.400 0.024 0.000 0.762 980 E CB 2.685 32.397 29.700 0.019 0.000 1.199 980 E HN 0.641 nan 8.360 nan 0.000 0.422 981 V N 2.044 121.989 119.914 0.050 0.000 3.159 981 V HA 0.511 4.630 4.120 -0.001 0.000 0.308 981 V C -1.763 174.362 176.094 0.052 0.000 1.190 981 V CA -0.317 62.014 62.300 0.053 0.000 1.037 981 V CB 2.282 34.145 31.823 0.066 0.000 1.060 981 V HN 0.850 nan 8.190 nan 0.000 0.437 982 Q N 2.047 121.871 119.800 0.039 0.000 2.687 982 Q HA 0.752 5.092 4.340 -0.001 0.000 0.295 982 Q C -2.271 173.736 176.000 0.012 0.000 0.920 982 Q CA -0.896 54.925 55.803 0.030 0.000 0.766 982 Q CB 2.363 31.116 28.738 0.026 0.000 1.467 982 Q HN 0.443 nan 8.270 nan 0.000 0.415 983 V N -0.370 119.543 119.914 -0.002 0.000 2.604 983 V HA 0.997 5.117 4.120 -0.001 0.000 0.305 983 V C -0.302 175.779 176.094 -0.021 0.000 1.043 983 V CA 0.113 62.401 62.300 -0.020 0.000 0.888 983 V CB 1.130 32.926 31.823 -0.044 0.000 0.995 983 V HN 1.024 nan 8.190 nan 0.000 0.429 984 R N 1.627 122.114 120.500 -0.022 0.000 2.764 984 R HA 0.821 5.160 4.340 -0.001 0.000 0.270 984 R C -0.422 175.864 176.300 -0.023 0.000 1.014 984 R CA -0.142 55.946 56.100 -0.020 0.000 0.904 984 R CB 1.377 31.671 30.300 -0.011 0.000 1.236 984 R HN 0.736 nan 8.270 nan 0.000 0.466 985 S N 1.016 116.704 115.700 -0.021 0.000 2.400 985 S HA 0.492 4.962 4.470 -0.001 0.000 0.295 985 S C -0.463 174.128 174.600 -0.015 0.000 1.113 985 S CA -0.328 57.859 58.200 -0.020 0.000 1.064 985 S CB -0.243 62.944 63.200 -0.021 0.000 0.990 985 S HN 0.615 nan 8.310 nan 0.000 0.502 986 V N 6.678 126.583 119.914 -0.015 0.000 2.472 986 V HA 0.483 4.603 4.120 -0.001 0.000 0.290 986 V C 0.213 176.300 176.094 -0.012 0.000 1.037 986 V CA -0.857 61.434 62.300 -0.014 0.000 0.908 986 V CB 1.446 33.259 31.823 -0.016 0.000 0.985 986 V HN 0.922 nan 8.190 nan 0.000 0.454 987 M N 3.978 123.570 119.600 -0.013 0.000 2.180 987 M HA 0.455 4.935 4.480 -0.001 0.000 0.350 987 M C -0.526 175.765 176.300 -0.014 0.000 1.125 987 M CA -0.075 55.216 55.300 -0.014 0.000 1.031 987 M CB 1.103 33.692 32.600 -0.018 0.000 1.623 987 M HN 0.669 nan 8.290 nan 0.000 0.451 988 D N 5.783 126.178 120.400 -0.007 0.000 2.312 988 D HA 0.280 4.919 4.640 -0.001 0.000 0.252 988 D C -2.024 174.266 176.300 -0.017 0.000 1.150 988 D CA -1.887 52.114 54.000 0.001 0.000 0.870 988 D CB 1.681 42.505 40.800 0.041 0.000 1.153 988 D HN 0.413 nan 8.370 nan 0.000 0.457 989 P HA -0.040 nan 4.420 nan 0.000 0.219 989 P C 1.132 178.402 177.300 -0.050 0.000 1.150 989 P CA 0.650 63.722 63.100 -0.047 0.000 0.814 989 P CB 0.398 32.068 31.700 -0.050 0.000 0.787 990 I N -2.041 118.514 120.570 -0.025 0.000 2.296 990 I HA -0.056 4.113 4.170 -0.001 0.000 0.242 990 I C 0.815 176.910 176.117 -0.036 0.000 1.087 990 I CA 1.285 62.570 61.300 -0.024 0.000 1.393 990 I CB -1.376 36.635 38.000 0.018 0.000 1.093 990 I HN -0.237 nan 8.210 nan 0.000 0.421 991 T N 1.049 115.589 114.554 -0.023 0.000 2.723 991 T HA 0.088 4.438 4.350 -0.001 0.000 0.297 991 T C 1.258 175.933 174.700 -0.042 0.000 0.925 991 T CA -0.050 62.016 62.100 -0.056 0.000 1.030 991 T CB 0.892 69.712 68.868 -0.079 0.000 0.905 991 T HN 0.057 nan 8.240 nan 0.000 0.502 992 S N 2.883 118.556 115.700 -0.045 0.000 2.528 992 S HA -0.041 4.429 4.470 -0.001 0.000 0.244 992 S C 1.124 175.704 174.600 -0.034 0.000 0.982 992 S CA 0.826 59.001 58.200 -0.042 0.000 0.953 992 S CB -0.051 63.125 63.200 -0.039 0.000 0.754 992 S HN 0.509 nan 8.310 nan 0.000 0.529 993 K N 1.566 121.946 120.400 -0.035 0.000 2.326 993 K HA 0.155 4.475 4.320 -0.001 0.000 0.275 993 K C 0.338 176.926 176.600 -0.020 0.000 1.018 993 K CA 0.022 56.292 56.287 -0.029 0.000 0.962 993 K CB 0.499 32.977 32.500 -0.037 0.000 0.953 993 K HN 0.040 nan 8.250 nan 0.000 0.475 994 R N 2.021 122.510 120.500 -0.018 0.000 2.860 994 R HA 0.112 4.451 4.340 -0.001 0.000 0.282 994 R C -0.140 176.152 176.300 -0.013 0.000 1.408 994 R CA -0.173 55.918 56.100 -0.014 0.000 1.636 994 R CB 0.107 30.398 30.300 -0.016 0.000 1.187 994 R HN 0.575 nan 8.270 nan 0.000 0.611 995 K N 0.594 120.988 120.400 -0.010 0.000 2.140 995 K HA 0.581 4.900 4.320 -0.001 0.000 0.237 995 K C 0.058 176.648 176.600 -0.016 0.000 1.045 995 K CA 0.137 56.418 56.287 -0.009 0.000 0.896 995 K CB 0.536 33.035 32.500 -0.001 0.000 1.122 995 K HN 0.504 nan 8.250 nan 0.000 0.503 996 A N 1.989 124.794 122.820 -0.024 0.000 2.838 996 A HA 0.438 4.757 4.320 -0.001 0.000 0.337 996 A C -0.373 177.191 177.584 -0.033 0.000 1.383 996 A CA -0.353 51.662 52.037 -0.036 0.000 0.985 996 A CB -0.632 18.331 19.000 -0.061 0.000 1.157 996 A HN 0.731 nan 8.150 nan 0.000 0.497 997 E N 0.417 120.604 120.200 -0.022 0.000 2.349 997 E HA 0.334 4.683 4.350 -0.001 0.000 0.262 997 E C -0.598 175.990 176.600 -0.020 0.000 1.088 997 E CA -0.713 55.677 56.400 -0.018 0.000 0.899 997 E CB 1.386 31.077 29.700 -0.016 0.000 1.044 997 E HN 0.570 nan 8.360 nan 0.000 0.420 998 L N 3.234 124.448 121.223 -0.015 0.000 2.319 998 L HA 0.277 4.617 4.340 -0.001 0.000 0.280 998 L C -1.253 175.610 176.870 -0.012 0.000 1.099 998 L CA 0.414 55.249 54.840 -0.009 0.000 0.828 998 L CB 0.062 42.123 42.059 0.004 0.000 1.150 998 L HN 0.393 nan 8.230 nan 0.000 0.442 999 L N 4.389 125.609 121.223 -0.004 0.000 2.256 999 L HA 0.524 4.863 4.340 -0.001 0.000 0.261 999 L C -1.000 175.878 176.870 0.014 0.000 1.022 999 L CA -1.217 53.620 54.840 -0.005 0.000 0.828 999 L CB 1.602 43.659 42.059 -0.002 0.000 1.374 999 L HN 0.420 nan 8.230 nan 0.000 0.436 1000 L N 1.930 123.166 121.223 0.021 0.000 2.257 1000 L HA 0.459 4.799 4.340 -0.001 0.000 0.290 1000 L C 0.653 177.555 176.870 0.053 0.000 1.044 1000 L CA 0.268 55.136 54.840 0.048 0.000 0.810 1000 L CB 0.857 42.962 42.059 0.076 0.000 1.193 1000 L HN 0.692 nan 8.230 nan 0.000 0.425 1001 K N 0.000 120.428 120.400 0.047 0.000 2.780 1001 K HA 0.000 4.320 4.320 -0.001 0.000 0.191 1001 K CA 0.000 56.310 56.287 0.039 0.000 0.838 1001 K CB 0.000 32.520 32.500 0.034 0.000 1.064 1001 K HN 0.000 nan 8.250 nan 0.000 0.543