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 3e0g_1_A DATA FIRST_RESID 1 DATA SEQUENCE DLKcVTNNLQ VWQcSWKAPS GTGRGTDYEV cIEQRSRScY QLEKTSIKIP DATA SEQUENCE ALSHGDYEIT INSLHDFXXX XSKFTLNEQN VSLIPDTPEI LQLSADFSTS DATA SEQUENCE TLYLKWNDRG SVFPHRSNVI WEIKVLRKES MELVKLVTHQ TTLNGKDTLH DATA SEQUENCE HWSWASDMPL EcAIHFVEIR CYIDNLHFSG LEEWSDWSPV KQISWIPDSQ DATA SEQUENCE TKVFPQDKVI LVGSDITFcC VSQEKVLSAL IGHTNCPLIH LDGENVAIKI DATA SEQUENCE RNISVSASSG TNVVFTTEDN IFGTVIFAGY PPDTPQQLNc ETHDLKEIIc DATA SEQUENCE SWNPGRVTAL VGPRATSYTL VESFSGKYVR LKRAEAPTNE SYQLLFQMLP DATA SEQUENCE NQEIYNFTLN AHNPLGRSQS TILVNITEKV YPHTPTSFKV KDINSTAVKL DATA SEQUENCE SWHLPGNFAK INFLcEIEIK KSNSVQEQRN VTIQGVENSS YLVALDKLNP DATA SEQUENCE YTLYTFRIRc STETFWKWSK WSNKKQHLTT EAS 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 1 D HA 0.000 nan 4.640 nan 0.000 0.175 1 D C 0.000 176.373 176.300 0.121 0.000 2.045 1 D CA 0.000 54.066 54.000 0.110 0.000 0.868 1 D CB 0.000 40.855 40.800 0.091 0.000 0.688 2 L N 1.145 122.453 121.223 0.141 0.000 2.473 2 L HA 0.367 4.705 4.340 -0.003 0.000 0.268 2 L C -0.456 176.447 176.870 0.055 0.000 1.215 2 L CA 0.399 55.317 54.840 0.131 0.000 0.823 2 L CB 0.642 42.780 42.059 0.132 0.000 1.099 2 L HN 0.051 nan 8.230 nan 0.000 0.483 3 K N 3.060 123.475 120.400 0.025 0.000 2.570 3 K HA 0.426 4.744 4.320 -0.003 0.000 0.256 3 K C -2.105 174.475 176.600 -0.034 0.000 0.939 3 K CA -0.687 55.593 56.287 -0.013 0.000 0.833 3 K CB 1.352 33.842 32.500 -0.017 0.000 1.318 3 K HN 0.725 nan 8.250 nan 0.000 0.433 4 c N 3.843 122.407 118.600 -0.060 0.000 2.417 4 c HA 0.788 5.356 4.570 -0.003 0.000 0.324 4 c C -0.109 173.923 174.090 -0.096 0.000 1.240 4 c CA -0.623 55.657 56.329 -0.081 0.000 1.632 4 c CB 0.619 43.046 42.510 -0.138 0.000 2.241 4 c HN 0.617 nan 8.230 nan 0.000 0.499 5 V N 0.813 120.693 119.914 -0.058 0.000 3.156 5 V HA 1.013 5.131 4.120 -0.003 0.000 0.311 5 V C -0.609 175.485 176.094 -0.001 0.000 1.208 5 V CA -0.256 62.019 62.300 -0.041 0.000 1.063 5 V CB 1.863 33.671 31.823 -0.024 0.000 1.098 5 V HN 0.908 nan 8.190 nan 0.000 0.452 6 T N 0.269 114.824 114.554 0.003 0.000 2.977 6 T HA 0.436 4.784 4.350 -0.003 0.000 0.345 6 T C -0.429 174.266 174.700 -0.008 0.000 1.562 6 T CA 0.195 62.319 62.100 0.039 0.000 1.090 6 T CB 1.425 70.362 68.868 0.115 0.000 1.383 6 T HN 1.323 nan 8.240 nan 0.000 0.484 7 N N 2.139 120.845 118.700 0.010 0.000 2.193 7 N HA 0.214 4.953 4.740 -0.003 0.000 0.210 7 N C -0.137 175.412 175.510 0.066 0.000 1.215 7 N CA -0.444 52.627 53.050 0.035 0.000 0.901 7 N CB 0.219 38.730 38.487 0.040 0.000 1.060 7 N HN 0.719 nan 8.380 nan 0.000 0.508 8 N N -0.370 118.299 118.700 -0.051 0.000 2.260 8 N HA 0.289 5.027 4.740 -0.003 0.000 0.293 8 N C -0.411 174.935 175.510 -0.273 0.000 1.058 8 N CA -0.940 51.961 53.050 -0.248 0.000 0.824 8 N CB 1.940 40.321 38.487 -0.177 0.000 1.551 8 N HN -0.119 nan 8.380 nan 0.000 0.475 9 L N 0.746 121.692 121.223 -0.461 0.000 2.784 9 L HA -0.098 4.241 4.340 -0.003 0.000 0.247 9 L C 1.381 178.188 176.870 -0.105 0.000 1.162 9 L CA 0.836 55.514 54.840 -0.269 0.000 0.881 9 L CB -0.626 41.264 42.059 -0.282 0.000 1.032 9 L HN 0.701 nan 8.230 nan 0.000 0.446 10 Q N -1.528 118.191 119.800 -0.136 0.000 2.394 10 Q HA 0.154 4.492 4.340 -0.003 0.000 0.218 10 Q C 0.127 176.022 176.000 -0.176 0.000 0.907 10 Q CA 0.371 56.092 55.803 -0.138 0.000 0.919 10 Q CB 0.889 29.543 28.738 -0.140 0.000 1.051 10 Q HN 0.244 nan 8.270 nan 0.000 0.538 11 V N 0.652 120.506 119.914 -0.101 0.000 2.735 11 V HA 0.295 4.413 4.120 -0.003 0.000 0.310 11 V C -1.522 174.650 176.094 0.130 0.000 1.061 11 V CA -0.812 61.431 62.300 -0.095 0.000 0.913 11 V CB 2.092 33.888 31.823 -0.045 0.000 1.005 11 V HN 0.205 nan 8.190 nan 0.000 0.428 12 W N 2.904 124.185 121.300 -0.032 0.000 2.329 12 W HA 0.502 5.160 4.660 -0.003 0.000 0.312 12 W C 0.126 176.606 176.519 -0.065 0.000 1.054 12 W CA -1.074 56.249 57.345 -0.036 0.000 1.245 12 W CB 1.050 30.499 29.460 -0.018 0.000 1.255 12 W HN 0.457 nan 8.180 nan 0.000 0.436 13 Q N 3.464 123.356 119.800 0.153 0.000 2.509 13 Q HA 0.302 4.640 4.340 -0.003 0.000 0.230 13 Q C -0.416 175.586 176.000 0.004 0.000 1.089 13 Q CA 0.074 55.901 55.803 0.041 0.000 0.901 13 Q CB 0.603 29.349 28.738 0.014 0.000 1.208 13 Q HN 0.432 nan 8.270 nan 0.000 0.529 14 c N 1.626 120.217 118.600 -0.014 0.000 2.362 14 c HA 0.730 5.298 4.570 -0.003 0.000 0.363 14 c C 0.318 174.340 174.090 -0.114 0.000 1.220 14 c CA -0.557 55.749 56.329 -0.039 0.000 2.379 14 c CB 0.989 43.497 42.510 -0.004 0.000 2.351 14 c HN 0.850 nan 8.230 nan 0.000 0.582 15 S N 0.349 115.974 115.700 -0.126 0.000 2.614 15 S HA 0.427 4.895 4.470 -0.003 0.000 0.259 15 S C -1.019 173.464 174.600 -0.195 0.000 1.118 15 S CA -0.836 57.193 58.200 -0.285 0.000 1.065 15 S CB -0.185 62.858 63.200 -0.262 0.000 1.121 15 S HN 0.956 nan 8.310 nan 0.000 0.458 16 W N 3.921 125.130 121.300 -0.151 0.000 1.779 16 W HA 0.640 5.298 4.660 -0.003 0.000 0.409 16 W C 0.486 176.969 176.519 -0.060 0.000 1.812 16 W CA -0.806 56.465 57.345 -0.122 0.000 1.994 16 W CB 0.070 29.395 29.460 -0.225 0.000 1.415 16 W HN 0.774 nan 8.180 nan 0.000 0.745 17 K N 0.694 121.345 120.400 0.418 0.000 2.462 17 K HA 0.582 4.900 4.320 -0.003 0.000 0.257 17 K C 0.266 177.071 176.600 0.342 0.000 1.062 17 K CA -0.361 56.104 56.287 0.296 0.000 0.923 17 K CB -0.477 32.196 32.500 0.289 0.000 1.210 17 K HN 0.626 nan 8.250 nan 0.000 0.502 18 A N 0.718 123.688 122.820 0.250 0.000 2.250 18 A HA 0.377 4.695 4.320 -0.003 0.000 0.283 18 A C -2.086 175.693 177.584 0.325 0.000 1.206 18 A CA -1.321 50.856 52.037 0.234 0.000 0.840 18 A CB -0.722 18.365 19.000 0.144 0.000 1.220 18 A HN 0.747 nan 8.150 nan 0.000 0.505 19 P HA 0.288 nan 4.420 nan 0.000 0.285 19 P C 0.049 177.448 177.300 0.164 0.000 1.259 19 P CA -0.136 63.137 63.100 0.289 0.000 0.794 19 P CB 1.635 33.492 31.700 0.262 0.000 0.940 20 S N 2.317 118.085 115.700 0.113 0.000 2.336 20 S HA 0.039 4.508 4.470 -0.003 0.000 0.216 20 S C 1.819 176.432 174.600 0.022 0.000 1.032 20 S CA 1.472 59.681 58.200 0.015 0.000 0.973 20 S CB -0.598 62.541 63.200 -0.102 0.000 0.888 20 S HN 0.738 nan 8.310 nan 0.000 0.455 21 G N 0.252 109.071 108.800 0.031 0.000 2.759 21 G HA2 0.224 4.182 3.960 -0.003 0.000 0.208 21 G HA3 0.224 4.182 3.960 -0.003 0.000 0.208 21 G C 0.174 175.092 174.900 0.030 0.000 1.076 21 G CA -0.045 45.065 45.100 0.018 0.000 0.789 21 G HN 0.401 nan 8.290 nan 0.000 0.546 22 T N 0.969 115.562 114.554 0.065 0.000 2.875 22 T HA 0.563 4.911 4.350 -0.003 0.000 0.284 22 T C 1.066 175.813 174.700 0.078 0.000 0.995 22 T CA 0.085 62.222 62.100 0.061 0.000 1.060 22 T CB 1.820 70.728 68.868 0.066 0.000 0.967 22 T HN 0.191 nan 8.240 nan 0.000 0.476 23 G N 1.699 110.533 108.800 0.056 0.000 2.467 23 G HA2 0.322 4.280 3.960 -0.003 0.000 0.243 23 G HA3 0.322 4.280 3.960 -0.003 0.000 0.243 23 G C 0.044 174.988 174.900 0.075 0.000 1.521 23 G CA -0.521 44.614 45.100 0.058 0.000 1.055 23 G HN 0.853 nan 8.290 nan 0.000 0.553 24 R N -2.265 118.271 120.500 0.061 0.000 2.536 24 R HA 0.569 4.907 4.340 -0.003 0.000 0.279 24 R C 0.512 176.842 176.300 0.049 0.000 1.001 24 R CA -0.007 56.134 56.100 0.069 0.000 1.027 24 R CB 1.159 31.494 30.300 0.059 0.000 1.096 24 R HN 1.493 nan 8.270 nan 0.000 0.502 25 G N 1.027 109.862 108.800 0.058 0.000 2.171 25 G HA2 -0.231 3.727 3.960 -0.003 0.000 0.238 25 G HA3 -0.231 3.727 3.960 -0.003 0.000 0.238 25 G C -0.466 174.437 174.900 0.005 0.000 1.039 25 G CA 0.229 45.351 45.100 0.037 0.000 0.759 25 G HN 0.711 nan 8.290 nan 0.000 0.501 26 T N 0.817 115.356 114.554 -0.024 0.000 2.875 26 T HA 0.529 4.877 4.350 -0.003 0.000 0.284 26 T C 0.159 174.700 174.700 -0.265 0.000 0.995 26 T CA -0.332 61.677 62.100 -0.152 0.000 1.060 26 T CB 1.607 70.341 68.868 -0.223 0.000 0.967 26 T HN 0.233 nan 8.240 nan 0.000 0.476 27 D N 0.611 120.885 120.400 -0.209 0.000 2.377 27 D HA 0.468 5.107 4.640 -0.003 0.000 0.245 27 D C -0.665 175.439 176.300 -0.325 0.000 1.196 27 D CA 0.260 54.187 54.000 -0.123 0.000 0.962 27 D CB 0.470 41.264 40.800 -0.010 0.000 1.127 27 D HN 0.451 nan 8.370 nan 0.000 0.471 28 Y N -0.718 119.675 120.300 0.155 0.000 2.609 28 Y HA 0.418 4.966 4.550 -0.003 0.000 0.342 28 Y C -0.369 175.604 175.900 0.122 0.000 1.058 28 Y CA -0.958 57.237 58.100 0.158 0.000 1.055 28 Y CB 1.948 40.559 38.460 0.251 0.000 1.292 28 Y HN 0.214 nan 8.280 nan 0.000 0.476 29 E N 1.477 121.831 120.200 0.256 0.000 2.283 29 E HA 0.617 4.965 4.350 -0.003 0.000 0.258 29 E C -2.130 174.527 176.600 0.096 0.000 0.893 29 E CA -0.444 56.053 56.400 0.160 0.000 0.798 29 E CB 1.328 31.092 29.700 0.106 0.000 1.242 29 E HN 0.444 nan 8.360 nan 0.000 0.414 30 V N 3.427 123.407 119.914 0.111 0.000 2.581 30 V HA 0.540 4.658 4.120 -0.003 0.000 0.303 30 V C -0.254 175.903 176.094 0.105 0.000 1.041 30 V CA -0.755 61.559 62.300 0.023 0.000 0.907 30 V CB 1.592 33.387 31.823 -0.046 0.000 0.994 30 V HN 0.817 nan 8.190 nan 0.000 0.442 31 c N 4.593 123.223 118.600 0.051 0.000 2.634 31 c HA 0.716 5.284 4.570 -0.003 0.000 0.313 31 c C -0.152 173.981 174.090 0.071 0.000 1.198 31 c CA -0.793 55.596 56.329 0.100 0.000 1.605 31 c CB 1.179 43.731 42.510 0.070 0.000 2.196 31 c HN 0.877 nan 8.230 nan 0.000 0.486 32 I N 0.305 120.951 120.570 0.127 0.000 2.382 32 I HA 0.678 4.846 4.170 -0.003 0.000 0.285 32 I C -0.643 175.624 176.117 0.249 0.000 1.007 32 I CA -0.135 61.252 61.300 0.145 0.000 1.142 32 I CB 1.181 39.216 38.000 0.057 0.000 1.289 32 I HN 0.578 nan 8.210 nan 0.000 0.453 33 E N 5.862 126.210 120.200 0.247 0.000 2.145 33 E HA 0.312 4.661 4.350 -0.003 0.000 0.262 33 E C -0.618 176.072 176.600 0.150 0.000 0.883 33 E CA -0.286 56.218 56.400 0.172 0.000 0.748 33 E CB 1.457 31.217 29.700 0.101 0.000 1.140 33 E HN 0.748 nan 8.360 nan 0.000 0.417 34 Q N 3.918 123.754 119.800 0.061 0.000 2.164 34 Q HA 0.258 4.596 4.340 -0.003 0.000 0.165 34 Q C 0.495 176.470 176.000 -0.042 0.000 0.570 34 Q CA -0.017 55.746 55.803 -0.066 0.000 0.759 34 Q CB 0.363 28.914 28.738 -0.312 0.000 1.059 34 Q HN 0.455 nan 8.270 nan 0.000 0.464 35 R N -0.083 120.387 120.500 -0.051 0.000 2.225 35 R HA 0.394 4.732 4.340 -0.003 0.000 0.194 35 R C 1.307 177.603 176.300 -0.006 0.000 0.949 35 R CA 0.142 56.226 56.100 -0.027 0.000 1.088 35 R CB 0.069 30.347 30.300 -0.038 0.000 1.106 35 R HN 0.134 nan 8.270 nan 0.000 0.566 36 S N 1.622 117.323 115.700 0.003 0.000 2.602 36 S HA 0.166 4.634 4.470 -0.003 0.000 0.257 36 S C 0.290 174.914 174.600 0.040 0.000 1.250 36 S CA -0.094 58.119 58.200 0.022 0.000 0.986 36 S CB 0.426 63.647 63.200 0.036 0.000 1.040 36 S HN 0.289 nan 8.310 nan 0.000 0.562 37 R N -0.128 120.397 120.500 0.042 0.000 2.570 37 R HA 0.329 4.667 4.340 -0.003 0.000 0.246 37 R C -1.215 175.108 176.300 0.038 0.000 1.417 37 R CA -0.382 55.744 56.100 0.042 0.000 1.525 37 R CB -0.500 29.814 30.300 0.023 0.000 1.403 37 R HN 0.326 nan 8.270 nan 0.000 0.754 38 S N -0.562 115.177 115.700 0.065 0.000 2.509 38 S HA 0.795 5.263 4.470 -0.003 0.000 0.297 38 S C 0.088 174.739 174.600 0.085 0.000 1.118 38 S CA -0.706 57.517 58.200 0.037 0.000 1.074 38 S CB 1.487 64.707 63.200 0.032 0.000 1.038 38 S HN 0.433 nan 8.310 nan 0.000 0.498 39 c N 1.179 119.783 118.600 0.007 0.000 2.871 39 c HA 0.855 5.423 4.570 -0.003 0.000 0.351 39 c C -1.071 173.019 174.090 -0.001 0.000 1.338 39 c CA -0.537 55.851 56.329 0.098 0.000 1.686 39 c CB 0.783 43.326 42.510 0.054 0.000 2.135 39 c HN 0.938 nan 8.230 nan 0.000 0.476 40 Y N -0.308 120.006 120.300 0.024 0.000 2.615 40 Y HA 0.531 5.080 4.550 -0.003 0.000 0.341 40 Y C -0.264 175.671 175.900 0.058 0.000 1.089 40 Y CA -0.617 57.507 58.100 0.038 0.000 1.049 40 Y CB 1.346 39.832 38.460 0.044 0.000 1.296 40 Y HN 0.595 nan 8.280 nan 0.000 0.470 41 Q N 2.611 122.546 119.800 0.225 0.000 2.616 41 Q HA 0.563 4.902 4.340 -0.003 0.000 0.250 41 Q C -2.088 174.031 176.000 0.199 0.000 0.991 41 Q CA -0.188 55.719 55.803 0.173 0.000 0.707 41 Q CB 0.598 29.395 28.738 0.098 0.000 1.247 41 Q HN 0.681 nan 8.270 nan 0.000 0.491 42 L N 2.337 123.714 121.223 0.256 0.000 2.352 42 L HA 0.468 4.806 4.340 -0.003 0.000 0.269 42 L C 0.343 177.382 176.870 0.282 0.000 1.034 42 L CA -0.512 54.483 54.840 0.258 0.000 0.806 42 L CB 1.579 43.814 42.059 0.293 0.000 1.244 42 L HN 0.618 nan 8.230 nan 0.000 0.447 43 E N -0.192 120.137 120.200 0.216 0.000 2.485 43 E HA 0.172 4.521 4.350 -0.003 0.000 0.213 43 E C -0.165 176.571 176.600 0.226 0.000 0.923 43 E CA 0.288 56.806 56.400 0.198 0.000 1.054 43 E CB 0.843 30.607 29.700 0.107 0.000 1.077 43 E HN 0.389 nan 8.360 nan 0.000 0.509 44 K N -1.076 119.411 120.400 0.145 0.000 2.092 44 K HA 0.409 4.728 4.320 -0.003 0.000 0.256 44 K C 0.716 177.162 176.600 -0.257 0.000 1.041 44 K CA -0.158 56.136 56.287 0.011 0.000 1.070 44 K CB 0.756 33.213 32.500 -0.072 0.000 1.707 44 K HN -0.211 nan 8.250 nan 0.000 0.750 45 T N -0.003 114.218 114.554 -0.555 0.000 2.983 45 T HA -0.022 4.326 4.350 -0.003 0.000 0.250 45 T C 1.109 175.017 174.700 -1.320 0.000 1.037 45 T CA 0.243 61.542 62.100 -1.335 0.000 1.142 45 T CB 0.071 68.309 68.868 -1.050 0.000 0.876 45 T HN 0.445 nan 8.240 nan 0.000 0.455 46 S N 0.114 115.433 115.700 -0.635 0.000 2.580 46 S HA 0.183 4.652 4.470 -0.003 0.000 0.266 46 S C 0.658 175.079 174.600 -0.299 0.000 1.354 46 S CA -0.173 57.784 58.200 -0.404 0.000 1.008 46 S CB 0.143 63.206 63.200 -0.228 0.000 0.898 46 S HN 0.235 nan 8.310 nan 0.000 0.555 47 I N 0.489 120.943 120.570 -0.193 0.000 4.866 47 I HA 0.422 4.591 4.170 -0.003 0.000 0.325 47 I C 0.450 176.448 176.117 -0.199 0.000 1.240 47 I CA -0.143 61.048 61.300 -0.180 0.000 1.355 47 I CB -0.597 37.298 38.000 -0.176 0.000 1.395 47 I HN 0.747 nan 8.210 nan 0.000 0.479 48 K N 3.024 123.351 120.400 -0.122 0.000 4.387 48 K HA -0.155 4.164 4.320 -0.003 0.000 0.290 48 K C -0.348 176.190 176.600 -0.104 0.000 0.936 48 K CA 0.338 56.583 56.287 -0.071 0.000 0.890 48 K CB -1.019 31.462 32.500 -0.032 0.000 1.617 48 K HN 0.642 nan 8.250 nan 0.000 0.437 49 I N -0.979 119.521 120.570 -0.117 0.000 2.607 49 I HA 0.667 4.836 4.170 -0.003 0.000 0.305 49 I C -2.161 173.873 176.117 -0.139 0.000 0.995 49 I CA -2.744 58.460 61.300 -0.159 0.000 1.148 49 I CB 1.663 39.498 38.000 -0.275 0.000 1.323 49 I HN 0.012 nan 8.210 nan 0.000 0.461 50 P HA 0.080 nan 4.420 nan 0.000 0.268 50 P C -0.474 176.527 177.300 -0.497 0.000 1.205 50 P CA -0.053 62.923 63.100 -0.208 0.000 0.771 50 P CB 0.753 32.402 31.700 -0.086 0.000 0.858 51 A N 3.472 125.801 122.820 -0.819 0.000 2.401 51 A HA 0.333 4.651 4.320 -0.003 0.000 0.259 51 A C -0.287 176.681 177.584 -1.026 0.000 1.103 51 A CA -0.262 50.718 52.037 -1.762 0.000 0.789 51 A CB -0.292 17.953 19.000 -1.257 0.000 1.035 51 A HN 0.550 nan 8.150 nan 0.000 0.491 52 L N 3.690 124.201 121.223 -1.188 0.000 2.337 52 L HA 0.305 4.643 4.340 -0.003 0.000 0.269 52 L C 1.401 178.332 176.870 0.102 0.000 1.018 52 L CA 0.496 55.167 54.840 -0.281 0.000 0.876 52 L CB 0.404 42.355 42.059 -0.180 0.000 1.236 52 L HN 0.914 nan 8.230 nan 0.000 0.436 53 S N 3.096 118.807 115.700 0.019 0.000 2.414 53 S HA -0.128 4.340 4.470 -0.003 0.000 0.225 53 S C 0.638 175.131 174.600 -0.179 0.000 1.041 53 S CA 1.065 59.248 58.200 -0.027 0.000 1.114 53 S CB -0.588 62.534 63.200 -0.130 0.000 1.064 53 S HN 0.650 nan 8.310 nan 0.000 0.420 54 H N 2.018 121.142 119.070 0.090 0.000 2.511 54 H HA 0.691 5.246 4.556 -0.003 0.000 0.328 54 H C 0.580 175.923 175.328 0.025 0.000 1.044 54 H CA 0.264 56.348 56.048 0.060 0.000 1.212 54 H CB 0.873 30.660 29.762 0.042 0.000 1.428 54 H HN 0.817 nan 8.280 nan 0.000 0.483 55 G N 2.997 111.876 108.800 0.132 0.000 2.312 55 G HA2 -0.010 3.948 3.960 -0.003 0.000 0.347 55 G HA3 -0.010 3.948 3.960 -0.003 0.000 0.347 55 G C -1.580 173.336 174.900 0.027 0.000 1.564 55 G CA -1.051 44.071 45.100 0.036 0.000 0.981 55 G HN 0.428 nan 8.290 nan 0.000 0.678 56 D N -0.676 119.721 120.400 -0.005 0.000 2.332 56 D HA 0.732 5.370 4.640 -0.003 0.000 0.252 56 D C -0.445 175.844 176.300 -0.019 0.000 1.050 56 D CA 0.181 54.204 54.000 0.038 0.000 0.970 56 D CB 0.998 41.827 40.800 0.048 0.000 1.141 56 D HN 0.326 nan 8.370 nan 0.000 0.485 57 Y N 0.018 120.375 120.300 0.095 0.000 2.650 57 Y HA 0.505 5.053 4.550 -0.003 0.000 0.331 57 Y C -0.355 175.580 175.900 0.058 0.000 1.082 57 Y CA -0.808 57.344 58.100 0.086 0.000 1.171 57 Y CB 1.879 40.413 38.460 0.123 0.000 1.326 57 Y HN 0.141 nan 8.280 nan 0.000 0.513 58 E N 1.973 122.359 120.200 0.310 0.000 2.502 58 E HA 0.339 4.688 4.350 -0.003 0.000 0.261 58 E C -1.619 175.054 176.600 0.121 0.000 0.974 58 E CA -0.207 56.289 56.400 0.160 0.000 0.795 58 E CB 0.326 30.094 29.700 0.113 0.000 1.385 58 E HN 0.494 nan 8.360 nan 0.000 0.400 59 I N 0.801 121.408 120.570 0.062 0.000 2.312 59 I HA 0.607 4.775 4.170 -0.003 0.000 0.290 59 I C -0.485 175.610 176.117 -0.036 0.000 1.008 59 I CA -0.574 60.718 61.300 -0.013 0.000 1.226 59 I CB 1.770 39.723 38.000 -0.078 0.000 1.371 59 I HN 0.102 nan 8.210 nan 0.000 0.468 60 T N 7.545 122.074 114.554 -0.040 0.000 2.758 60 T HA 0.603 4.951 4.350 -0.003 0.000 0.285 60 T C -0.025 174.607 174.700 -0.112 0.000 0.981 60 T CA -0.251 61.822 62.100 -0.044 0.000 0.965 60 T CB 1.174 70.034 68.868 -0.013 0.000 0.927 60 T HN 0.440 nan 8.240 nan 0.000 0.448 61 I N 3.800 124.278 120.570 -0.153 0.000 2.441 61 I HA 0.423 4.591 4.170 -0.003 0.000 0.295 61 I C -0.364 175.739 176.117 -0.024 0.000 0.994 61 I CA -1.015 60.115 61.300 -0.283 0.000 1.144 61 I CB 1.594 39.025 38.000 -0.949 0.000 1.314 61 I HN 0.487 nan 8.210 nan 0.000 0.445 62 N N 3.398 122.118 118.700 0.034 0.000 2.296 62 N HA 0.241 4.979 4.740 -0.003 0.000 0.294 62 N C 0.114 175.777 175.510 0.255 0.000 1.033 62 N CA -0.541 52.590 53.050 0.135 0.000 0.839 62 N CB 2.149 40.659 38.487 0.038 0.000 1.395 62 N HN 0.416 nan 8.380 nan 0.000 0.479 63 S N 0.925 116.820 115.700 0.325 0.000 2.507 63 S HA -0.052 4.416 4.470 -0.003 0.000 0.235 63 S C 1.199 175.870 174.600 0.119 0.000 0.988 63 S CA 0.077 58.429 58.200 0.254 0.000 0.944 63 S CB -0.190 63.169 63.200 0.266 0.000 0.762 63 S HN 0.607 nan 8.310 nan 0.000 0.526 64 L N -0.435 120.936 121.223 0.246 0.000 5.044 64 L HA -0.227 4.111 4.340 -0.003 0.000 0.412 64 L C -0.429 176.648 176.870 0.345 0.000 0.971 64 L CA 1.173 56.158 54.840 0.242 0.000 1.411 64 L CB -1.332 40.766 42.059 0.066 0.000 1.884 64 L HN 0.588 nan 8.230 nan 0.000 0.631 65 H N -0.281 118.869 119.070 0.133 0.000 2.987 65 H HA 0.296 4.850 4.556 -0.003 0.000 0.285 65 H C -0.681 174.429 175.328 -0.363 0.000 1.176 65 H CA -0.444 55.494 56.048 -0.182 0.000 1.596 65 H CB 0.573 30.270 29.762 -0.109 0.000 2.044 65 H HN 0.133 nan 8.280 nan 0.000 0.500 66 D N 3.501 123.242 120.400 -1.099 0.000 2.705 66 D HA -0.202 4.436 4.640 -0.003 0.000 0.240 66 D C -0.012 176.038 176.300 -0.417 0.000 1.137 66 D CA 1.117 54.679 54.000 -0.731 0.000 0.677 66 D CB -1.087 39.477 40.800 -0.393 0.000 1.049 66 D HN 0.145 nan 8.370 nan 0.000 0.427 73 K N 4.298 124.658 120.400 -0.066 0.000 2.408 73 K HA 0.345 4.663 4.320 -0.003 0.000 0.231 73 K C -1.368 175.112 176.600 -0.201 0.000 1.261 73 K CA 0.154 56.372 56.287 -0.114 0.000 1.193 73 K CB -1.046 31.371 32.500 -0.138 0.000 1.431 73 K HN 0.495 nan 8.250 nan 0.000 0.243 74 F N 0.903 120.817 119.950 -0.060 0.000 2.513 74 F HA 0.256 4.781 4.527 -0.003 0.000 0.358 74 F C -0.104 175.637 175.800 -0.099 0.000 1.118 74 F CA -0.753 57.182 58.000 -0.108 0.000 1.037 74 F CB 1.889 40.781 39.000 -0.180 0.000 1.276 74 F HN 0.071 nan 8.300 nan 0.000 0.446 75 T N 5.584 120.237 114.554 0.166 0.000 3.172 75 T HA 0.735 5.083 4.350 -0.003 0.000 0.320 75 T C -1.266 173.476 174.700 0.070 0.000 1.085 75 T CA -0.301 61.846 62.100 0.078 0.000 1.052 75 T CB 0.743 69.639 68.868 0.047 0.000 1.107 75 T HN 0.379 nan 8.240 nan 0.000 0.458 76 L N 3.719 124.972 121.223 0.050 0.000 2.510 76 L HA 0.700 5.038 4.340 -0.003 0.000 0.252 76 L C -0.280 176.623 176.870 0.056 0.000 1.091 76 L CA -1.017 53.852 54.840 0.049 0.000 0.888 76 L CB 1.786 43.873 42.059 0.047 0.000 1.507 76 L HN 0.569 nan 8.230 nan 0.000 0.407 77 N N -0.860 117.877 118.700 0.062 0.000 2.545 77 N HA 0.768 5.507 4.740 -0.003 0.000 0.289 77 N C -1.587 173.989 175.510 0.109 0.000 1.279 77 N CA -0.838 52.269 53.050 0.095 0.000 0.824 77 N CB 1.638 40.171 38.487 0.076 0.000 1.395 77 N HN 0.419 nan 8.380 nan 0.000 0.526 78 E N 0.726 121.036 120.200 0.183 0.000 2.307 78 E HA 0.231 4.579 4.350 -0.003 0.000 0.280 78 E C -0.692 176.045 176.600 0.228 0.000 0.900 78 E CA -0.166 56.359 56.400 0.208 0.000 0.790 78 E CB 1.991 31.931 29.700 0.400 0.000 1.261 78 E HN 0.583 nan 8.360 nan 0.000 0.405 79 Q N 1.076 120.916 119.800 0.066 0.000 2.274 79 Q HA 0.170 4.509 4.340 -0.003 0.000 0.172 79 Q C 0.703 176.683 176.000 -0.033 0.000 0.613 79 Q CA 0.200 56.042 55.803 0.065 0.000 0.789 79 Q CB 0.204 28.950 28.738 0.014 0.000 1.125 79 Q HN 0.605 nan 8.270 nan 0.000 0.501 80 N N -0.671 117.915 118.700 -0.189 0.000 2.385 80 N HA 0.478 5.216 4.740 -0.003 0.000 0.291 80 N C -0.184 174.999 175.510 -0.545 0.000 1.298 80 N CA -0.632 52.205 53.050 -0.355 0.000 0.955 80 N CB 0.683 38.944 38.487 -0.377 0.000 1.096 80 N HN 0.041 nan 8.380 nan 0.000 0.543 81 V N -2.444 117.180 119.914 -0.483 0.000 3.150 81 V HA 0.433 4.551 4.120 -0.003 0.000 0.312 81 V C -1.246 174.773 176.094 -0.124 0.000 1.556 81 V CA -0.982 61.063 62.300 -0.425 0.000 0.987 81 V CB 1.251 32.624 31.823 -0.750 0.000 1.030 81 V HN 0.760 nan 8.190 nan 0.000 0.483 82 S N 0.690 116.368 115.700 -0.036 0.000 2.707 82 S HA 0.639 5.108 4.470 -0.003 0.000 0.303 82 S C -1.498 173.137 174.600 0.059 0.000 1.132 82 S CA -0.301 57.923 58.200 0.039 0.000 1.046 82 S CB 1.033 64.217 63.200 -0.026 0.000 1.004 82 S HN 0.677 nan 8.310 nan 0.000 0.483 83 L N 6.647 127.934 121.223 0.107 0.000 2.259 83 L HA 0.663 5.002 4.340 -0.003 0.000 0.288 83 L C -1.443 175.376 176.870 -0.085 0.000 1.051 83 L CA 0.005 54.806 54.840 -0.064 0.000 0.824 83 L CB 0.297 42.222 42.059 -0.224 0.000 1.206 83 L HN 0.548 nan 8.230 nan 0.000 0.429 84 I N 8.094 128.624 120.570 -0.067 0.000 2.359 84 I HA 0.457 4.625 4.170 -0.003 0.000 0.284 84 I C -2.058 174.024 176.117 -0.057 0.000 1.018 84 I CA -1.978 59.286 61.300 -0.059 0.000 1.173 84 I CB 1.270 39.255 38.000 -0.024 0.000 1.326 84 I HN 0.531 nan 8.210 nan 0.000 0.462 85 P HA 0.041 nan 4.420 nan 0.000 0.269 85 P C -0.632 176.651 177.300 -0.029 0.000 1.209 85 P CA -0.327 62.721 63.100 -0.086 0.000 0.776 85 P CB 0.467 32.043 31.700 -0.206 0.000 0.876 86 D N 1.144 121.554 120.400 0.017 0.000 2.402 86 D HA -0.025 4.614 4.640 -0.003 0.000 0.268 86 D C 0.495 176.823 176.300 0.048 0.000 1.294 86 D CA 0.687 54.714 54.000 0.045 0.000 0.945 86 D CB -0.251 40.598 40.800 0.081 0.000 1.112 86 D HN 0.246 nan 8.370 nan 0.000 0.517 87 T N 4.465 119.043 114.554 0.041 0.000 2.718 87 T HA -0.001 4.348 4.350 -0.003 0.000 0.265 87 T C -2.029 172.728 174.700 0.096 0.000 1.014 87 T CA -1.100 61.030 62.100 0.051 0.000 1.172 87 T CB 0.406 69.305 68.868 0.051 0.000 1.007 87 T HN 0.211 nan 8.240 nan 0.000 0.500 88 P HA 0.265 nan 4.420 nan 0.000 0.273 88 P C -0.733 176.656 177.300 0.148 0.000 1.250 88 P CA -0.297 62.925 63.100 0.202 0.000 0.793 88 P CB 0.543 32.416 31.700 0.287 0.000 1.011 89 E N 0.352 120.653 120.200 0.168 0.000 2.278 89 E HA 0.359 4.707 4.350 -0.003 0.000 0.272 89 E C -0.828 175.871 176.600 0.164 0.000 0.890 89 E CA -0.741 55.743 56.400 0.141 0.000 0.770 89 E CB 1.139 30.918 29.700 0.130 0.000 1.212 89 E HN 0.252 nan 8.360 nan 0.000 0.415 90 I N 5.560 126.213 120.570 0.138 0.000 2.598 90 I HA -0.053 4.116 4.170 -0.003 0.000 0.284 90 I C 1.202 177.427 176.117 0.180 0.000 1.140 90 I CA -0.097 61.305 61.300 0.171 0.000 1.420 90 I CB 0.713 38.798 38.000 0.142 0.000 1.387 90 I HN 0.768 nan 8.210 nan 0.000 0.553 91 L N 5.881 127.235 121.223 0.218 0.000 2.023 91 L HA 0.009 4.347 4.340 -0.003 0.000 0.205 91 L C 0.627 177.581 176.870 0.140 0.000 1.073 91 L CA 1.869 56.803 54.840 0.156 0.000 0.745 91 L CB -0.116 42.020 42.059 0.127 0.000 0.900 91 L HN 0.686 nan 8.230 nan 0.000 0.435 92 Q N 0.023 119.923 119.800 0.166 0.000 2.429 92 Q HA 0.240 4.578 4.340 -0.003 0.000 0.247 92 Q C -2.200 173.907 176.000 0.179 0.000 0.915 92 Q CA -0.438 55.454 55.803 0.148 0.000 0.971 92 Q CB 1.379 30.189 28.738 0.119 0.000 1.468 92 Q HN 0.134 nan 8.270 nan 0.000 0.439 93 L N 3.458 124.779 121.223 0.163 0.000 2.313 93 L HA 0.743 5.081 4.340 -0.003 0.000 0.283 93 L C -1.061 175.898 176.870 0.149 0.000 1.013 93 L CA 0.167 55.112 54.840 0.175 0.000 0.816 93 L CB 1.647 43.804 42.059 0.164 0.000 1.236 93 L HN 0.680 nan 8.230 nan 0.000 0.419 94 S N 3.476 119.277 115.700 0.168 0.000 2.661 94 S HA 1.025 5.493 4.470 -0.003 0.000 0.285 94 S C -0.784 173.909 174.600 0.154 0.000 1.138 94 S CA -0.364 57.926 58.200 0.149 0.000 0.855 94 S CB 1.683 64.959 63.200 0.127 0.000 1.136 94 S HN 1.096 nan 8.310 nan 0.000 0.484 95 A N 0.324 123.208 122.820 0.107 0.000 2.435 95 A HA 0.738 5.056 4.320 -0.003 0.000 0.304 95 A C -1.582 176.035 177.584 0.055 0.000 1.064 95 A CA -0.552 51.466 52.037 -0.032 0.000 0.727 95 A CB 1.627 20.355 19.000 -0.454 0.000 1.284 95 A HN 0.775 nan 8.150 nan 0.000 0.415 96 D N 1.692 122.109 120.400 0.028 0.000 2.477 96 D HA 0.411 5.049 4.640 -0.003 0.000 0.239 96 D C 0.115 176.386 176.300 -0.048 0.000 1.102 96 D CA -0.431 53.614 54.000 0.076 0.000 0.901 96 D CB -0.125 40.764 40.800 0.148 0.000 1.026 96 D HN 0.301 nan 8.370 nan 0.000 0.515 97 F N 1.295 121.183 119.950 -0.102 0.000 2.250 97 F HA -0.222 4.303 4.527 -0.003 0.000 0.301 97 F C 2.707 178.399 175.800 -0.180 0.000 1.077 97 F CA 1.220 59.100 58.000 -0.201 0.000 1.348 97 F CB -0.406 38.443 39.000 -0.253 0.000 1.040 97 F HN 0.366 nan 8.300 nan 0.000 0.509 98 S N -0.604 115.136 115.700 0.067 0.000 2.359 98 S HA -0.222 4.246 4.470 -0.003 0.000 0.224 98 S C 1.901 176.477 174.600 -0.041 0.000 1.035 98 S CA 1.792 60.002 58.200 0.016 0.000 1.018 98 S CB -1.359 61.854 63.200 0.021 0.000 0.876 98 S HN 0.458 nan 8.310 nan 0.000 0.448 99 T N -1.675 112.837 114.554 -0.072 0.000 3.086 99 T HA 0.332 4.681 4.350 -0.003 0.000 0.250 99 T C 0.555 175.124 174.700 -0.218 0.000 1.074 99 T CA 0.333 62.360 62.100 -0.122 0.000 0.988 99 T CB -0.494 68.313 68.868 -0.101 0.000 0.988 99 T HN 0.439 nan 8.240 nan 0.000 0.530 100 S N 1.207 116.752 115.700 -0.258 0.000 3.628 100 S HA -0.140 4.328 4.470 -0.003 0.000 0.373 100 S C 0.317 174.619 174.600 -0.496 0.000 0.968 100 S CA 0.775 58.731 58.200 -0.407 0.000 1.215 100 S CB -2.452 60.525 63.200 -0.371 0.000 0.912 100 S HN 1.121 nan 8.310 nan 0.000 0.495 101 T N -0.199 114.082 114.554 -0.455 0.000 2.907 101 T HA 0.721 5.070 4.350 -0.003 0.000 0.292 101 T C -0.351 174.033 174.700 -0.526 0.000 1.043 101 T CA -1.069 60.705 62.100 -0.544 0.000 1.003 101 T CB 1.139 69.688 68.868 -0.531 0.000 1.084 101 T HN 0.296 nan 8.240 nan 0.000 0.483 102 L N 2.984 123.875 121.223 -0.554 0.000 2.322 102 L HA 0.556 4.895 4.340 -0.003 0.000 0.279 102 L C -1.114 175.408 176.870 -0.580 0.000 1.036 102 L CA -1.109 53.501 54.840 -0.384 0.000 0.807 102 L CB 1.195 43.173 42.059 -0.136 0.000 1.226 102 L HN 0.699 nan 8.230 nan 0.000 0.433 103 Y N 2.958 123.222 120.300 -0.060 0.000 2.331 103 Y HA 0.542 5.091 4.550 -0.002 0.000 0.334 103 Y C -0.437 175.538 175.900 0.126 0.000 0.960 103 Y CA -0.581 57.522 58.100 0.004 0.000 1.130 103 Y CB 2.018 40.474 38.460 -0.006 0.000 1.164 103 Y HN 0.322 nan 8.280 nan 0.000 0.458 104 L N 4.030 125.472 121.223 0.365 0.000 2.354 104 L HA 0.726 5.064 4.340 -0.003 0.000 0.269 104 L C -1.490 175.671 176.870 0.484 0.000 1.005 104 L CA -0.951 54.148 54.840 0.432 0.000 0.819 104 L CB 1.810 44.209 42.059 0.567 0.000 1.311 104 L HN 0.588 nan 8.230 nan 0.000 0.423 105 K N 4.009 124.669 120.400 0.434 0.000 2.565 105 K HA 0.531 4.849 4.320 -0.003 0.000 0.251 105 K C -2.011 174.787 176.600 0.329 0.000 0.956 105 K CA -0.481 56.001 56.287 0.326 0.000 0.809 105 K CB 1.717 34.380 32.500 0.272 0.000 1.267 105 K HN 0.662 nan 8.250 nan 0.000 0.438 106 W N 1.240 122.494 121.300 -0.076 0.000 3.047 106 W HA 0.575 5.233 4.660 -0.003 0.000 0.341 106 W C -1.552 174.867 176.519 -0.167 0.000 1.225 106 W CA -0.691 56.596 57.345 -0.096 0.000 1.150 106 W CB 1.062 30.454 29.460 -0.113 0.000 1.470 106 W HN 0.251 nan 8.180 nan 0.000 0.578 107 N N 2.181 120.824 118.700 -0.096 0.000 2.524 107 N HA 0.168 4.906 4.740 -0.003 0.000 0.261 107 N C -1.395 174.114 175.510 -0.001 0.000 0.998 107 N CA -0.418 52.491 53.050 -0.236 0.000 0.915 107 N CB 1.015 39.424 38.487 -0.130 0.000 1.187 107 N HN 0.647 nan 8.380 nan 0.000 0.507 108 D N 1.104 121.489 120.400 -0.025 0.000 2.450 108 D HA -0.005 4.633 4.640 -0.003 0.000 0.247 108 D C 0.017 176.422 176.300 0.175 0.000 1.162 108 D CA 0.108 54.301 54.000 0.321 0.000 0.879 108 D CB 0.676 41.824 40.800 0.579 0.000 1.163 108 D HN 0.203 nan 8.370 nan 0.000 0.472 109 R N 3.022 123.640 120.500 0.197 0.000 4.556 109 R HA 0.158 4.497 4.340 -0.003 0.000 0.197 109 R C 1.624 178.008 176.300 0.139 0.000 1.791 109 R CA -0.152 56.026 56.100 0.131 0.000 1.526 109 R CB 0.086 30.461 30.300 0.125 0.000 1.410 109 R HN 0.802 nan 8.270 nan 0.000 0.826 110 G N 0.612 109.487 108.800 0.125 0.000 2.469 110 G HA2 -0.360 3.598 3.960 -0.003 0.000 0.220 110 G HA3 -0.360 3.598 3.960 -0.003 0.000 0.220 110 G C 1.551 176.533 174.900 0.135 0.000 1.136 110 G CA 1.152 46.331 45.100 0.132 0.000 0.759 110 G HN 0.544 nan 8.290 nan 0.000 0.562 111 S N -0.166 115.586 115.700 0.087 0.000 2.392 111 S HA -0.128 4.341 4.470 -0.003 0.000 0.232 111 S C 1.858 176.498 174.600 0.067 0.000 1.041 111 S CA 1.399 59.635 58.200 0.060 0.000 1.026 111 S CB -0.527 62.694 63.200 0.036 0.000 0.845 111 S HN 0.291 nan 8.310 nan 0.000 0.465 112 V N 0.433 120.406 119.914 0.099 0.000 3.189 112 V HA 0.482 4.601 4.120 -0.003 0.000 0.366 112 V C -0.789 175.384 176.094 0.132 0.000 1.313 112 V CA -0.357 61.992 62.300 0.081 0.000 1.302 112 V CB -0.852 31.013 31.823 0.071 0.000 1.260 112 V HN 0.513 nan 8.190 nan 0.000 0.484 113 F N 2.031 121.977 119.950 -0.007 0.000 2.831 113 F HA 0.529 5.055 4.527 -0.003 0.000 0.346 113 F C -1.692 174.095 175.800 -0.021 0.000 1.224 113 F CA -1.955 56.041 58.000 -0.006 0.000 1.048 113 F CB 2.000 41.004 39.000 0.007 0.000 1.339 113 F HN 0.022 nan 8.300 nan 0.000 0.514 114 P HA -0.174 nan 4.420 nan 0.000 0.210 114 P C -0.087 177.072 177.300 -0.235 0.000 1.185 114 P CA 1.519 64.436 63.100 -0.305 0.000 0.924 114 P CB -0.011 31.274 31.700 -0.692 0.000 0.786 115 H N -0.911 118.181 119.070 0.038 0.000 2.505 115 H HA 0.373 4.928 4.556 -0.003 0.000 0.355 115 H C 0.466 175.877 175.328 0.139 0.000 1.179 115 H CA -0.657 55.434 56.048 0.071 0.000 1.343 115 H CB 0.003 29.796 29.762 0.051 0.000 1.501 115 H HN -0.055 nan 8.280 nan 0.000 0.569 116 R N 1.512 122.139 120.500 0.211 0.000 2.357 116 R HA 0.255 4.593 4.340 -0.003 0.000 0.330 116 R C -0.512 175.884 176.300 0.160 0.000 1.102 116 R CA -0.046 56.146 56.100 0.153 0.000 0.974 116 R CB 0.023 30.387 30.300 0.108 0.000 1.002 116 R HN 0.491 nan 8.270 nan 0.000 0.463 117 S N 1.880 117.661 115.700 0.134 0.000 2.568 117 S HA 0.349 4.817 4.470 -0.003 0.000 0.302 117 S C -0.261 174.325 174.600 -0.022 0.000 1.082 117 S CA -1.086 57.159 58.200 0.074 0.000 1.009 117 S CB 1.553 64.802 63.200 0.081 0.000 1.069 117 S HN 0.502 nan 8.310 nan 0.000 0.500 118 N N 0.659 119.342 118.700 -0.028 0.000 2.530 118 N HA 0.429 5.167 4.740 -0.003 0.000 0.277 118 N C -1.029 174.339 175.510 -0.237 0.000 1.168 118 N CA -0.156 52.838 53.050 -0.094 0.000 0.979 118 N CB 1.549 40.106 38.487 0.117 0.000 1.141 118 N HN 0.289 nan 8.380 nan 0.000 0.459 119 V N 2.549 122.227 119.914 -0.395 0.000 3.007 119 V HA 0.528 4.646 4.120 -0.003 0.000 0.311 119 V C -1.116 174.650 176.094 -0.546 0.000 1.120 119 V CA -0.726 61.269 62.300 -0.509 0.000 0.980 119 V CB 2.247 33.696 31.823 -0.624 0.000 1.033 119 V HN 0.488 nan 8.190 nan 0.000 0.429 120 I N 4.703 124.953 120.570 -0.532 0.000 2.411 120 I HA 0.360 4.528 4.170 -0.003 0.000 0.284 120 I C -1.210 174.680 176.117 -0.379 0.000 1.012 120 I CA -0.295 60.817 61.300 -0.313 0.000 1.119 120 I CB 1.521 39.443 38.000 -0.130 0.000 1.261 120 I HN 0.629 nan 8.210 nan 0.000 0.448 121 W N 5.110 126.416 121.300 0.010 0.000 2.376 121 W HA 0.434 5.093 4.660 -0.002 0.000 0.322 121 W C 0.349 176.837 176.519 -0.052 0.000 1.160 121 W CA -0.366 56.958 57.345 -0.034 0.000 1.218 121 W CB 0.898 30.326 29.460 -0.053 0.000 1.205 121 W HN 0.388 nan 8.180 nan 0.000 0.559 122 E N 3.142 123.415 120.200 0.122 0.000 2.255 122 E HA 0.384 4.733 4.350 -0.003 0.000 0.256 122 E C -1.344 175.225 176.600 -0.053 0.000 0.887 122 E CA -0.699 55.693 56.400 -0.013 0.000 0.782 122 E CB 0.794 30.431 29.700 -0.105 0.000 1.214 122 E HN 0.348 nan 8.360 nan 0.000 0.417 123 I N 3.865 124.296 120.570 -0.231 0.000 2.385 123 I HA 0.329 4.497 4.170 -0.003 0.000 0.294 123 I C 0.010 175.976 176.117 -0.253 0.000 0.988 123 I CA -0.263 60.831 61.300 -0.344 0.000 1.265 123 I CB 1.356 38.836 38.000 -0.867 0.000 1.388 123 I HN 0.309 nan 8.210 nan 0.000 0.480 124 K N 5.134 125.439 120.400 -0.159 0.000 2.443 124 K HA 0.722 5.040 4.320 -0.003 0.000 0.252 124 K C -1.841 174.664 176.600 -0.158 0.000 0.933 124 K CA -0.587 55.570 56.287 -0.217 0.000 0.792 124 K CB 1.867 34.131 32.500 -0.393 0.000 1.185 124 K HN 0.415 nan 8.250 nan 0.000 0.425 125 V N 5.760 125.586 119.914 -0.147 0.000 2.378 125 V HA 0.403 4.521 4.120 -0.003 0.000 0.288 125 V C -0.720 175.367 176.094 -0.013 0.000 1.016 125 V CA -0.972 61.309 62.300 -0.032 0.000 0.840 125 V CB 1.180 32.960 31.823 -0.070 0.000 0.994 125 V HN 0.598 nan 8.190 nan 0.000 0.431 126 L N 5.172 126.432 121.223 0.062 0.000 2.334 126 L HA 0.607 4.945 4.340 -0.003 0.000 0.273 126 L C 1.143 178.061 176.870 0.080 0.000 1.013 126 L CA -0.423 54.450 54.840 0.056 0.000 0.816 126 L CB 1.630 43.709 42.059 0.034 0.000 1.278 126 L HN 0.815 nan 8.230 nan 0.000 0.431 127 R N 0.561 121.043 120.500 -0.030 0.000 2.334 127 R HA 0.258 4.597 4.340 -0.003 0.000 0.216 127 R C 0.127 176.294 176.300 -0.221 0.000 0.905 127 R CA 0.041 55.961 56.100 -0.301 0.000 1.064 127 R CB 0.617 30.690 30.300 -0.378 0.000 1.046 127 R HN 0.388 nan 8.270 nan 0.000 0.508 128 K N 0.517 120.940 120.400 0.039 0.000 2.636 128 K HA 0.020 4.338 4.320 -0.003 0.000 0.268 128 K C -0.157 176.568 176.600 0.208 0.000 0.958 128 K CA -0.394 55.975 56.287 0.138 0.000 0.875 128 K CB 1.434 33.961 32.500 0.045 0.000 1.382 128 K HN -0.130 nan 8.250 nan 0.000 0.405 129 E N 1.180 121.528 120.200 0.247 0.000 2.172 129 E HA -0.203 4.146 4.350 -0.003 0.000 0.213 129 E C 0.900 177.413 176.600 -0.146 0.000 1.051 129 E CA 2.617 58.897 56.400 -0.201 0.000 0.860 129 E CB 0.060 29.531 29.700 -0.383 0.000 0.755 129 E HN 0.623 nan 8.360 nan 0.000 0.462 130 S N 0.185 115.839 115.700 -0.076 0.000 2.336 130 S HA -0.087 4.382 4.470 -0.003 0.000 0.214 130 S C 1.468 176.029 174.600 -0.066 0.000 1.032 130 S CA 0.381 58.535 58.200 -0.077 0.000 1.001 130 S CB -0.353 62.820 63.200 -0.046 0.000 0.953 130 S HN 0.292 nan 8.310 nan 0.000 0.430 131 M N 2.671 122.251 119.600 -0.034 0.000 2.286 131 M HA -0.025 4.453 4.480 -0.003 0.000 0.365 131 M C 0.157 176.435 176.300 -0.036 0.000 1.443 131 M CA 0.653 55.936 55.300 -0.027 0.000 0.951 131 M CB 0.141 32.737 32.600 -0.006 0.000 1.961 131 M HN 0.366 nan 8.290 nan 0.000 0.468 132 E N 4.911 125.082 120.200 -0.049 0.000 2.134 132 E HA 0.199 4.547 4.350 -0.003 0.000 0.278 132 E C -0.436 176.136 176.600 -0.046 0.000 0.959 132 E CA -0.636 55.722 56.400 -0.069 0.000 0.783 132 E CB 0.947 30.584 29.700 -0.106 0.000 1.095 132 E HN 0.696 nan 8.360 nan 0.000 0.399 133 L N 4.019 125.212 121.223 -0.050 0.000 2.435 133 L HA 0.308 4.646 4.340 -0.003 0.000 0.195 133 L C 0.726 177.505 176.870 -0.151 0.000 1.072 133 L CA 0.490 55.319 54.840 -0.017 0.000 0.833 133 L CB -0.540 41.602 42.059 0.139 0.000 1.081 133 L HN 0.349 nan 8.230 nan 0.000 0.485 134 V N 0.420 120.103 119.914 -0.386 0.000 2.769 134 V HA 0.497 4.615 4.120 -0.003 0.000 0.312 134 V C -0.752 175.150 176.094 -0.320 0.000 1.061 134 V CA -0.645 61.369 62.300 -0.477 0.000 0.931 134 V CB 2.830 33.973 31.823 -1.133 0.000 1.010 134 V HN 0.172 nan 8.190 nan 0.000 0.433 135 K N 5.872 126.134 120.400 -0.230 0.000 2.604 135 K HA 0.469 4.788 4.320 -0.003 0.000 0.247 135 K C -1.693 174.804 176.600 -0.172 0.000 0.956 135 K CA -0.436 55.737 56.287 -0.190 0.000 0.896 135 K CB 1.507 33.930 32.500 -0.129 0.000 1.131 135 K HN 0.470 nan 8.250 nan 0.000 0.440 136 L N 3.051 124.118 121.223 -0.261 0.000 2.331 136 L HA 0.589 4.928 4.340 -0.003 0.000 0.275 136 L C -0.309 176.459 176.870 -0.171 0.000 1.022 136 L CA -1.054 53.638 54.840 -0.247 0.000 0.812 136 L CB 2.065 43.805 42.059 -0.530 0.000 1.257 136 L HN 0.189 nan 8.230 nan 0.000 0.435 137 V N 1.399 121.271 119.914 -0.071 0.000 2.488 137 V HA 0.337 4.455 4.120 -0.003 0.000 0.293 137 V C -0.121 176.012 176.094 0.064 0.000 1.027 137 V CA -0.435 61.872 62.300 0.012 0.000 0.862 137 V CB 1.941 33.785 31.823 0.034 0.000 1.008 137 V HN 0.837 nan 8.190 nan 0.000 0.428 138 T N 3.567 118.192 114.554 0.118 0.000 2.856 138 T HA 0.489 4.837 4.350 -0.003 0.000 0.283 138 T C -1.089 173.740 174.700 0.214 0.000 1.008 138 T CA -0.382 61.822 62.100 0.173 0.000 0.997 138 T CB 0.884 69.861 68.868 0.182 0.000 0.992 138 T HN 0.779 nan 8.240 nan 0.000 0.454 139 H N 3.959 123.092 119.070 0.104 0.000 2.489 139 H HA 0.578 5.132 4.556 -0.003 0.000 0.343 139 H C -0.460 174.916 175.328 0.080 0.000 1.086 139 H CA -0.370 55.720 56.048 0.070 0.000 1.198 139 H CB 1.674 31.456 29.762 0.032 0.000 1.490 139 H HN 0.900 nan 8.280 nan 0.000 0.504 140 Q N 2.317 121.667 119.800 -0.750 0.000 2.728 140 Q HA 0.412 4.751 4.340 -0.003 0.000 0.378 140 Q C -1.260 174.507 176.000 -0.388 0.000 0.670 140 Q CA -1.079 54.512 55.803 -0.354 0.000 0.915 140 Q CB 1.477 30.198 28.738 -0.027 0.000 1.128 140 Q HN 0.581 nan 8.270 nan 0.000 0.483 141 T N -1.740 112.759 114.554 -0.092 0.000 2.912 141 T HA 0.474 4.822 4.350 -0.003 0.000 0.299 141 T C -0.665 174.054 174.700 0.033 0.000 1.052 141 T CA -0.650 61.426 62.100 -0.039 0.000 0.996 141 T CB 1.664 70.549 68.868 0.028 0.000 1.070 141 T HN 0.426 nan 8.240 nan 0.000 0.465 142 T N 3.810 118.367 114.554 0.005 0.000 2.933 142 T HA 0.141 4.489 4.350 -0.003 0.000 0.263 142 T C 0.661 175.409 174.700 0.080 0.000 0.925 142 T CA -0.299 61.828 62.100 0.046 0.000 1.156 142 T CB -0.860 67.987 68.868 -0.035 0.000 0.916 142 T HN 0.638 nan 8.240 nan 0.000 0.601 143 L N 5.617 126.892 121.223 0.087 0.000 2.791 143 L HA -0.014 4.324 4.340 -0.003 0.000 0.276 143 L C 0.400 177.305 176.870 0.058 0.000 1.136 143 L CA 0.029 54.910 54.840 0.067 0.000 1.008 143 L CB -0.295 41.795 42.059 0.051 0.000 1.348 143 L HN 0.595 nan 8.230 nan 0.000 0.476 144 N N 4.199 122.934 118.700 0.059 0.000 2.701 144 N HA -0.243 4.495 4.740 -0.003 0.000 0.257 144 N C 1.002 176.537 175.510 0.042 0.000 0.969 144 N CA 1.113 54.191 53.050 0.047 0.000 0.786 144 N CB -1.361 37.143 38.487 0.030 0.000 0.917 144 N HN 1.076 nan 8.380 nan 0.000 0.541 145 G N -0.627 108.216 108.800 0.072 0.000 2.422 145 G HA2 -0.351 3.608 3.960 -0.003 0.000 0.301 145 G HA3 -0.351 3.608 3.960 -0.003 0.000 0.301 145 G C 0.010 174.940 174.900 0.051 0.000 0.981 145 G CA 0.898 46.045 45.100 0.079 0.000 0.994 145 G HN 0.592 nan 8.290 nan 0.000 0.514 146 K N -0.011 120.413 120.400 0.041 0.000 2.207 146 K HA 0.289 4.607 4.320 -0.003 0.000 0.255 146 K C -0.682 175.923 176.600 0.008 0.000 0.941 146 K CA -1.054 55.243 56.287 0.017 0.000 0.825 146 K CB 1.149 33.650 32.500 0.001 0.000 1.119 146 K HN 0.023 nan 8.250 nan 0.000 0.430 147 D N 2.527 122.923 120.400 -0.007 0.000 2.412 147 D HA 0.001 4.639 4.640 -0.003 0.000 0.257 147 D C -0.207 176.029 176.300 -0.108 0.000 1.217 147 D CA 0.627 54.606 54.000 -0.036 0.000 0.897 147 D CB 0.552 41.332 40.800 -0.033 0.000 1.132 147 D HN 0.417 nan 8.370 nan 0.000 0.493 148 T N -0.026 114.420 114.554 -0.181 0.000 2.807 148 T HA 0.508 4.857 4.350 -0.003 0.000 0.279 148 T C -0.191 174.078 174.700 -0.719 0.000 0.993 148 T CA -1.063 60.824 62.100 -0.356 0.000 0.970 148 T CB 1.437 70.136 68.868 -0.281 0.000 0.950 148 T HN 0.104 nan 8.240 nan 0.000 0.441 149 L N 3.364 124.167 121.223 -0.700 0.000 2.292 149 L HA 0.508 4.846 4.340 -0.003 0.000 0.284 149 L C -0.627 175.535 176.870 -1.179 0.000 1.065 149 L CA -0.104 54.239 54.840 -0.829 0.000 0.806 149 L CB 0.359 42.122 42.059 -0.493 0.000 1.175 149 L HN 0.802 nan 8.230 nan 0.000 0.431 150 H N 3.435 121.794 119.070 -1.184 0.000 2.529 150 H HA 0.618 5.173 4.556 -0.003 0.000 0.348 150 H C -0.937 173.736 175.328 -1.092 0.000 1.152 150 H CA -0.844 54.443 56.048 -1.268 0.000 1.202 150 H CB 1.353 29.993 29.762 -1.869 0.000 1.562 150 H HN 0.529 nan 8.280 nan 0.000 0.515 151 H N 0.966 119.988 119.070 -0.079 0.000 2.572 151 H HA 0.160 4.715 4.556 -0.002 0.000 0.359 151 H C -1.325 174.223 175.328 0.367 0.000 1.134 151 H CA -0.840 55.293 56.048 0.143 0.000 1.187 151 H CB 2.112 31.934 29.762 0.101 0.000 1.597 151 H HN 0.692 nan 8.280 nan 0.000 0.524 152 W N 2.619 124.131 121.300 0.353 0.000 3.259 152 W HA 0.417 5.075 4.660 -0.002 0.000 0.331 152 W C -1.064 175.565 176.519 0.184 0.000 1.144 152 W CA -0.490 57.015 57.345 0.268 0.000 1.227 152 W CB 1.491 31.124 29.460 0.288 0.000 1.371 152 W HN 0.594 nan 8.180 nan 0.000 0.491 153 S N 3.303 118.554 115.700 -0.747 0.000 2.671 153 S HA 0.866 5.335 4.470 -0.003 0.000 0.299 153 S C -1.760 172.145 174.600 -1.158 0.000 1.116 153 S CA -0.661 56.980 58.200 -0.932 0.000 0.912 153 S CB 2.448 65.199 63.200 -0.749 0.000 1.130 153 S HN 0.781 nan 8.310 nan 0.000 0.501 154 W N 0.418 121.083 121.300 -1.058 0.000 4.020 154 W HA 0.585 5.243 4.660 -0.002 0.000 0.293 154 W C -1.671 174.541 176.519 -0.511 0.000 1.236 154 W CA -0.591 56.314 57.345 -0.733 0.000 1.265 154 W CB 0.926 29.933 29.460 -0.756 0.000 1.248 154 W HN 1.013 nan 8.180 nan 0.000 0.501 155 A N 4.703 126.998 122.820 -0.874 0.000 2.391 155 A HA 0.509 4.827 4.320 -0.003 0.000 0.316 155 A C 0.434 177.220 177.584 -1.330 0.000 1.381 155 A CA 0.063 51.579 52.037 -0.870 0.000 0.998 155 A CB 0.325 19.017 19.000 -0.514 0.000 1.147 155 A HN 0.769 nan 8.150 nan 0.000 0.545 156 S N 1.475 116.291 115.700 -1.473 0.000 2.560 156 S HA -0.021 4.448 4.470 -0.003 0.000 0.276 156 S C 1.227 175.357 174.600 -0.782 0.000 1.350 156 S CA 0.373 57.605 58.200 -1.614 0.000 1.024 156 S CB 0.308 62.930 63.200 -0.964 0.000 0.864 156 S HN 0.744 nan 8.310 nan 0.000 0.536 157 D N 2.505 122.649 120.400 -0.427 0.000 2.277 157 D HA -0.038 4.601 4.640 -0.003 0.000 0.208 157 D C 0.765 176.972 176.300 -0.154 0.000 0.962 157 D CA 0.482 54.371 54.000 -0.184 0.000 0.865 157 D CB -0.047 40.750 40.800 -0.005 0.000 0.939 157 D HN 0.524 nan 8.370 nan 0.000 0.510 158 M N 0.869 120.386 119.600 -0.139 0.000 2.393 158 M HA 0.404 4.882 4.480 -0.003 0.000 0.316 158 M C -2.841 173.359 176.300 -0.166 0.000 1.087 158 M CA -2.125 53.120 55.300 -0.092 0.000 0.937 158 M CB 2.676 35.288 32.600 0.020 0.000 1.668 158 M HN -0.416 nan 8.290 nan 0.000 0.438 159 P HA -0.096 nan 4.420 nan 0.000 0.261 159 P C 0.198 177.299 177.300 -0.331 0.000 1.173 159 P CA -0.111 62.826 63.100 -0.272 0.000 0.760 159 P CB 0.264 31.826 31.700 -0.230 0.000 0.783 160 L N 3.159 124.094 121.223 -0.480 0.000 2.549 160 L HA -0.097 4.242 4.340 -0.003 0.000 0.229 160 L C 1.727 178.426 176.870 -0.285 0.000 1.158 160 L CA 1.622 56.144 54.840 -0.530 0.000 0.842 160 L CB -1.509 40.003 42.059 -0.913 0.000 0.952 160 L HN 0.398 nan 8.230 nan 0.000 0.452 161 E N -1.139 118.787 120.200 -0.457 0.000 2.112 161 E HA -0.105 4.244 4.350 -0.003 0.000 0.190 161 E C 1.890 178.406 176.600 -0.140 0.000 0.979 161 E CA 1.191 57.270 56.400 -0.535 0.000 0.814 161 E CB -0.157 28.456 29.700 -1.812 0.000 0.762 161 E HN 0.600 nan 8.360 nan 0.000 0.460 162 c N -0.491 118.005 118.600 -0.172 0.000 2.589 162 c HA 0.815 5.383 4.570 -0.003 0.000 0.307 162 c C 0.649 174.775 174.090 0.060 0.000 1.328 162 c CA -0.495 55.845 56.329 0.019 0.000 1.742 162 c CB -1.264 41.270 42.510 0.038 0.000 2.037 162 c HN 0.166 nan 8.230 nan 0.000 0.592 163 A N 0.385 123.257 122.820 0.088 0.000 2.582 163 A HA 0.602 4.920 4.320 -0.003 0.000 0.297 163 A C -0.948 176.654 177.584 0.030 0.000 1.059 163 A CA -0.442 51.612 52.037 0.029 0.000 0.705 163 A CB 0.450 19.419 19.000 -0.051 0.000 1.279 163 A HN 0.571 nan 8.150 nan 0.000 0.404 164 I N 1.045 121.570 120.570 -0.074 0.000 2.696 164 I HA 0.426 4.594 4.170 -0.003 0.000 0.284 164 I C -0.606 175.309 176.117 -0.337 0.000 1.129 164 I CA 0.084 61.300 61.300 -0.140 0.000 1.410 164 I CB 0.482 38.351 38.000 -0.217 0.000 1.399 164 I HN 0.745 nan 8.210 nan 0.000 0.579 165 H N 6.036 124.928 119.070 -0.297 0.000 2.924 165 H HA 0.413 4.967 4.556 -0.003 0.000 0.333 165 H C -1.269 173.894 175.328 -0.274 0.000 0.979 165 H CA -0.291 55.652 56.048 -0.175 0.000 1.326 165 H CB 1.106 30.843 29.762 -0.042 0.000 1.600 165 H HN 0.293 nan 8.280 nan 0.000 0.520 166 F N 1.636 121.647 119.950 0.101 0.000 2.440 166 F HA 0.648 5.174 4.527 -0.002 0.000 0.328 166 F C -0.028 175.806 175.800 0.057 0.000 1.070 166 F CA -0.975 57.061 58.000 0.060 0.000 1.011 166 F CB 1.377 40.374 39.000 -0.004 0.000 1.226 166 F HN 0.164 nan 8.300 nan 0.000 0.491 167 V N 1.467 121.524 119.914 0.237 0.000 2.668 167 V HA 0.336 4.455 4.120 -0.003 0.000 0.304 167 V C -0.624 175.528 176.094 0.096 0.000 1.071 167 V CA -0.821 61.563 62.300 0.141 0.000 0.894 167 V CB 1.823 33.755 31.823 0.182 0.000 1.008 167 V HN 0.792 nan 8.190 nan 0.000 0.425 168 E N 3.293 123.506 120.200 0.021 0.000 2.370 168 E HA 0.776 5.124 4.350 -0.003 0.000 0.259 168 E C -1.198 175.508 176.600 0.177 0.000 0.947 168 E CA -0.924 55.525 56.400 0.083 0.000 0.809 168 E CB 3.245 32.924 29.700 -0.035 0.000 1.300 168 E HN 0.572 nan 8.360 nan 0.000 0.419 169 I N 0.188 120.983 120.570 0.375 0.000 2.800 169 I HA 0.381 4.549 4.170 -0.003 0.000 0.294 169 I C -1.976 174.176 176.117 0.058 0.000 1.538 169 I CA -0.426 60.991 61.300 0.194 0.000 1.010 169 I CB 1.559 39.430 38.000 -0.216 0.000 1.381 169 I HN 0.696 nan 8.210 nan 0.000 0.462 170 R N 5.081 125.437 120.500 -0.239 0.000 2.766 170 R HA 0.895 5.233 4.340 -0.003 0.000 0.270 170 R C -1.527 174.733 176.300 -0.067 0.000 1.035 170 R CA -0.655 55.248 56.100 -0.328 0.000 0.911 170 R CB 1.475 31.185 30.300 -0.983 0.000 1.243 170 R HN 0.751 nan 8.270 nan 0.000 0.460 171 C N -1.876 117.405 119.300 -0.032 0.000 3.171 171 C HA 0.776 5.234 4.460 -0.003 0.000 0.308 171 C C -1.376 173.403 174.990 -0.353 0.000 1.334 171 C CA -1.088 57.793 59.018 -0.229 0.000 1.473 171 C CB 1.241 28.445 27.740 -0.893 0.000 1.866 171 C HN 0.900 nan 8.230 nan 0.000 0.465 172 Y N 0.934 120.700 120.300 -0.891 0.000 2.346 172 Y HA 0.787 5.335 4.550 -0.003 0.000 0.332 172 Y C -0.897 174.569 175.900 -0.724 0.000 0.985 172 Y CA -1.049 56.406 58.100 -1.076 0.000 1.112 172 Y CB 1.111 38.542 38.460 -1.716 0.000 1.170 172 Y HN 0.768 nan 8.280 nan 0.000 0.447 173 I N 5.818 125.842 120.570 -0.909 0.000 2.354 173 I HA 0.244 4.412 4.170 -0.003 0.000 0.286 173 I C -1.125 174.588 176.117 -0.675 0.000 1.007 173 I CA -0.654 60.235 61.300 -0.685 0.000 1.167 173 I CB 1.412 39.021 38.000 -0.651 0.000 1.320 173 I HN 0.572 nan 8.210 nan 0.000 0.458 174 D N 6.688 126.842 120.400 -0.409 0.000 2.373 174 D HA 0.110 4.748 4.640 -0.003 0.000 0.227 174 D C -0.427 175.831 176.300 -0.070 0.000 1.091 174 D CA -0.243 53.632 54.000 -0.208 0.000 0.840 174 D CB 0.822 41.641 40.800 0.031 0.000 1.060 174 D HN 0.453 nan 8.370 nan 0.000 0.502 175 N N 5.114 123.806 118.700 -0.013 0.000 2.437 175 N HA 0.081 4.819 4.740 -0.003 0.000 0.259 175 N C 1.225 176.796 175.510 0.101 0.000 0.983 175 N CA -0.435 52.653 53.050 0.064 0.000 0.937 175 N CB 1.047 39.572 38.487 0.063 0.000 1.122 175 N HN 0.497 nan 8.380 nan 0.000 0.499 176 L N 2.705 123.992 121.223 0.106 0.000 2.189 176 L HA -0.191 4.147 4.340 -0.003 0.000 0.214 176 L C 0.888 177.727 176.870 -0.052 0.000 1.097 176 L CA 1.326 56.191 54.840 0.042 0.000 0.764 176 L CB -0.457 41.638 42.059 0.060 0.000 0.900 176 L HN 0.634 nan 8.230 nan 0.000 0.436 177 H N -2.459 116.634 119.070 0.038 0.000 2.520 177 H HA 0.159 4.713 4.556 -0.003 0.000 0.284 177 H C -0.266 175.111 175.328 0.081 0.000 1.037 177 H CA -0.502 55.573 56.048 0.045 0.000 1.168 177 H CB 0.163 29.933 29.762 0.013 0.000 1.497 177 H HN 0.045 nan 8.280 nan 0.000 0.547 178 F N 0.350 120.292 119.950 -0.013 0.000 2.394 178 F HA 0.279 4.804 4.527 -0.003 0.000 0.340 178 F C 0.903 176.678 175.800 -0.041 0.000 1.105 178 F CA -0.572 57.404 58.000 -0.039 0.000 1.124 178 F CB 1.511 40.480 39.000 -0.051 0.000 1.145 178 F HN -0.134 nan 8.300 nan 0.000 0.505 179 S N 2.595 117.840 115.700 -0.758 0.000 2.492 179 S HA 0.208 4.676 4.470 -0.003 0.000 0.218 179 S C 0.996 175.103 174.600 -0.822 0.000 1.016 179 S CA 0.223 58.074 58.200 -0.582 0.000 0.916 179 S CB -0.107 62.902 63.200 -0.319 0.000 0.791 179 S HN 0.841 nan 8.310 nan 0.000 0.513 180 G N 2.265 110.056 108.800 -1.681 0.000 2.606 180 G HA2 0.463 4.421 3.960 -0.003 0.000 0.252 180 G HA3 0.463 4.421 3.960 -0.003 0.000 0.252 180 G C -0.005 174.587 174.900 -0.514 0.000 1.206 180 G CA -0.787 43.689 45.100 -1.040 0.000 0.861 180 G HN 0.435 nan 8.290 nan 0.000 0.561 181 L N -1.503 119.612 121.223 -0.180 0.000 2.426 181 L HA 0.509 4.848 4.340 -0.003 0.000 0.271 181 L C -0.077 176.833 176.870 0.065 0.000 1.169 181 L CA -0.252 54.559 54.840 -0.049 0.000 0.836 181 L CB 0.562 42.599 42.059 -0.037 0.000 1.112 181 L HN 0.426 nan 8.230 nan 0.000 0.465 182 E N 2.376 122.591 120.200 0.024 0.000 2.102 182 E HA 0.326 4.675 4.350 -0.003 0.000 0.263 182 E C -0.922 175.605 176.600 -0.122 0.000 0.894 182 E CA -0.427 55.923 56.400 -0.083 0.000 0.746 182 E CB 1.412 30.961 29.700 -0.252 0.000 1.129 182 E HN 0.672 nan 8.360 nan 0.000 0.416 183 E N 1.522 121.665 120.200 -0.095 0.000 2.292 183 E HA 0.277 4.625 4.350 -0.003 0.000 0.258 183 E C -0.718 175.838 176.600 -0.074 0.000 1.115 183 E CA -0.718 55.677 56.400 -0.008 0.000 0.929 183 E CB 0.993 30.715 29.700 0.037 0.000 1.161 183 E HN 0.321 nan 8.360 nan 0.000 0.453 184 W N 1.223 122.521 121.300 -0.003 0.000 2.251 184 W HA 0.129 4.787 4.660 -0.003 0.000 0.329 184 W C 0.720 177.148 176.519 -0.152 0.000 1.234 184 W CA -0.281 57.023 57.345 -0.070 0.000 1.228 184 W CB 0.916 30.307 29.460 -0.114 0.000 1.135 184 W HN 0.409 nan 8.180 nan 0.000 0.576 185 S N 1.505 117.252 115.700 0.079 0.000 2.596 185 S HA 0.074 4.543 4.470 -0.003 0.000 0.260 185 S C 0.008 174.566 174.600 -0.070 0.000 1.336 185 S CA -0.683 57.505 58.200 -0.020 0.000 0.993 185 S CB 0.645 63.808 63.200 -0.061 0.000 0.923 185 S HN 0.420 nan 8.310 nan 0.000 0.567 186 D N 0.144 120.512 120.400 -0.052 0.000 2.361 186 D HA 0.218 4.856 4.640 -0.003 0.000 0.239 186 D C -0.556 175.688 176.300 -0.094 0.000 1.200 186 D CA -0.094 53.880 54.000 -0.043 0.000 0.915 186 D CB 0.228 41.047 40.800 0.031 0.000 1.170 186 D HN 0.649 nan 8.370 nan 0.000 0.444 187 W N 1.127 122.424 121.300 -0.005 0.000 2.253 187 W HA 0.121 4.779 4.660 -0.003 0.000 0.322 187 W C 1.003 177.517 176.519 -0.008 0.000 1.342 187 W CA -0.469 56.860 57.345 -0.026 0.000 1.218 187 W CB 0.383 29.806 29.460 -0.061 0.000 1.205 187 W HN 0.199 nan 8.180 nan 0.000 0.551 188 S N 5.648 121.506 115.700 0.263 0.000 2.558 188 S HA 0.078 4.546 4.470 -0.003 0.000 0.287 188 S C -1.817 172.881 174.600 0.164 0.000 1.321 188 S CA -1.282 57.020 58.200 0.170 0.000 1.048 188 S CB 0.297 63.575 63.200 0.130 0.000 0.844 188 S HN 0.286 nan 8.310 nan 0.000 0.512 189 P HA 0.083 nan 4.420 nan 0.000 0.266 189 P C -0.250 177.110 177.300 0.100 0.000 1.195 189 P CA -0.399 62.759 63.100 0.097 0.000 0.768 189 P CB 0.222 31.974 31.700 0.086 0.000 0.838 190 V N 3.099 123.061 119.914 0.080 0.000 2.673 190 V HA 0.023 4.141 4.120 -0.003 0.000 0.303 190 V C 0.862 177.052 176.094 0.160 0.000 1.046 190 V CA 0.719 63.081 62.300 0.102 0.000 1.126 190 V CB -0.633 31.220 31.823 0.050 0.000 0.934 190 V HN 0.498 nan 8.190 nan 0.000 0.487 191 K N 4.168 124.684 120.400 0.193 0.000 2.616 191 K HA 0.332 4.650 4.320 -0.003 0.000 0.241 191 K C -0.441 176.273 176.600 0.190 0.000 0.961 191 K CA -0.423 55.971 56.287 0.178 0.000 0.942 191 K CB 1.149 33.737 32.500 0.147 0.000 1.153 191 K HN 0.818 nan 8.250 nan 0.000 0.452 192 Q N 4.026 123.921 119.800 0.157 0.000 2.301 192 Q HA 0.532 4.870 4.340 -0.003 0.000 0.267 192 Q C -0.970 174.998 176.000 -0.054 0.000 1.035 192 Q CA -1.015 54.760 55.803 -0.047 0.000 0.856 192 Q CB 1.885 30.303 28.738 -0.534 0.000 1.337 192 Q HN 0.562 nan 8.270 nan 0.000 0.450 193 I N -0.650 119.870 120.570 -0.084 0.000 2.468 193 I HA 0.562 4.730 4.170 -0.003 0.000 0.284 193 I C -1.421 174.711 176.117 0.024 0.000 1.038 193 I CA -0.165 61.139 61.300 0.007 0.000 1.083 193 I CB 2.106 40.129 38.000 0.038 0.000 1.223 193 I HN 0.532 nan 8.210 nan 0.000 0.443 194 S N 5.677 121.421 115.700 0.073 0.000 2.536 194 S HA 0.635 5.104 4.470 -0.003 0.000 0.298 194 S C -1.494 173.275 174.600 0.283 0.000 1.083 194 S CA -0.469 57.816 58.200 0.141 0.000 0.995 194 S CB 0.841 64.065 63.200 0.040 0.000 1.058 194 S HN 0.701 nan 8.310 nan 0.000 0.488 195 W N 4.942 126.325 121.300 0.138 0.000 2.313 195 W HA 0.564 5.221 4.660 -0.004 0.000 0.328 195 W C -1.055 175.461 176.519 -0.006 0.000 1.197 195 W CA -1.123 56.273 57.345 0.086 0.000 1.235 195 W CB 0.408 29.946 29.460 0.130 0.000 1.158 195 W HN 0.478 nan 8.180 nan 0.000 0.578 196 I N 6.978 127.214 120.570 -0.557 0.000 2.301 196 I HA 0.230 4.399 4.170 -0.003 0.000 0.292 196 I C -2.048 173.408 176.117 -1.102 0.000 1.046 196 I CA -2.508 58.440 61.300 -0.587 0.000 1.282 196 I CB 0.334 38.080 38.000 -0.423 0.000 1.409 196 I HN 0.201 nan 8.210 nan 0.000 0.484 197 P HA -0.001 nan 4.420 nan 0.000 0.243 197 P C -0.848 176.067 177.300 -0.642 0.000 1.134 197 P CA 0.405 63.053 63.100 -0.754 0.000 1.109 197 P CB -0.242 31.311 31.700 -0.245 0.000 1.140 198 D N 0.549 120.439 120.400 -0.850 0.000 2.849 198 D HA 0.396 5.034 4.640 -0.003 0.000 0.314 198 D C -0.250 175.982 176.300 -0.113 0.000 1.210 198 D CA -0.613 53.148 54.000 -0.399 0.000 0.756 198 D CB 0.195 40.750 40.800 -0.408 0.000 1.222 198 D HN 0.060 nan 8.370 nan 0.000 0.521 199 S N -0.519 115.185 115.700 0.006 0.000 2.800 199 S HA 0.274 4.742 4.470 -0.003 0.000 0.293 199 S C -0.461 174.155 174.600 0.027 0.000 1.209 199 S CA -0.375 57.890 58.200 0.108 0.000 0.884 199 S CB 1.453 64.852 63.200 0.333 0.000 1.244 199 S HN 0.092 nan 8.310 nan 0.000 0.540 200 Q N 0.700 120.504 119.800 0.007 0.000 2.287 200 Q HA 0.173 4.512 4.340 -0.003 0.000 0.201 200 Q C 0.525 176.445 176.000 -0.133 0.000 0.946 200 Q CA 0.744 56.510 55.803 -0.062 0.000 0.868 200 Q CB -0.157 28.552 28.738 -0.048 0.000 0.967 200 Q HN 0.701 nan 8.270 nan 0.000 0.516 201 T N 1.297 115.772 114.554 -0.132 0.000 2.853 201 T HA 0.076 4.425 4.350 -0.003 0.000 0.298 201 T C 0.606 175.081 174.700 -0.375 0.000 0.978 201 T CA 0.380 62.300 62.100 -0.300 0.000 1.152 201 T CB 0.310 68.937 68.868 -0.402 0.000 0.914 201 T HN 0.150 nan 8.240 nan 0.000 0.539 202 K N 2.982 123.110 120.400 -0.453 0.000 2.373 202 K HA 0.260 4.578 4.320 -0.003 0.000 0.200 202 K C -0.352 176.018 176.600 -0.383 0.000 1.054 202 K CA -0.092 55.986 56.287 -0.348 0.000 1.065 202 K CB 1.090 33.286 32.500 -0.507 0.000 0.886 202 K HN 0.359 nan 8.250 nan 0.000 0.546 203 V N 1.997 121.585 119.914 -0.544 0.000 2.417 203 V HA 0.430 4.549 4.120 -0.003 0.000 0.291 203 V C -0.888 174.869 176.094 -0.561 0.000 1.024 203 V CA -0.721 61.347 62.300 -0.387 0.000 0.861 203 V CB 0.930 32.675 31.823 -0.129 0.000 0.985 203 V HN -0.016 nan 8.190 nan 0.000 0.436 204 F N 5.679 125.648 119.950 0.031 0.000 2.563 204 F HA 0.687 5.213 4.527 -0.003 0.000 0.316 204 F C -2.313 173.666 175.800 0.298 0.000 1.076 204 F CA -2.389 55.658 58.000 0.079 0.000 0.921 204 F CB 2.607 41.582 39.000 -0.041 0.000 1.209 204 F HN 0.293 nan 8.300 nan 0.000 0.462 205 P HA 0.177 nan 4.420 nan 0.000 0.281 205 P C -1.362 176.078 177.300 0.233 0.000 1.264 205 P CA -0.630 62.655 63.100 0.308 0.000 0.824 205 P CB 1.179 32.988 31.700 0.182 0.000 1.092 206 Q N 0.620 120.491 119.800 0.119 0.000 2.259 206 Q HA 0.121 4.459 4.340 -0.003 0.000 0.249 206 Q C -0.055 176.018 176.000 0.121 0.000 0.914 206 Q CA -0.029 55.816 55.803 0.071 0.000 0.904 206 Q CB 0.274 29.011 28.738 -0.002 0.000 1.213 206 Q HN 0.459 nan 8.270 nan 0.000 0.428 207 D N 0.878 121.373 120.400 0.158 0.000 2.733 207 D HA -0.216 4.422 4.640 -0.003 0.000 0.228 207 D C 0.179 176.603 176.300 0.207 0.000 1.182 207 D CA 1.136 55.284 54.000 0.248 0.000 0.620 207 D CB -0.535 40.373 40.800 0.179 0.000 1.027 207 D HN 0.373 nan 8.370 nan 0.000 0.415 208 K N -0.183 120.346 120.400 0.216 0.000 2.118 208 K HA 0.434 4.753 4.320 -0.003 0.000 0.240 208 K C -0.027 176.682 176.600 0.182 0.000 1.035 208 K CA -0.374 56.001 56.287 0.146 0.000 0.899 208 K CB 1.008 33.579 32.500 0.119 0.000 1.085 208 K HN -0.054 nan 8.250 nan 0.000 0.498 209 V N 2.496 122.461 119.914 0.086 0.000 2.760 209 V HA 0.438 4.556 4.120 -0.003 0.000 0.309 209 V C -0.815 175.291 176.094 0.020 0.000 1.077 209 V CA -0.968 61.378 62.300 0.076 0.000 0.910 209 V CB 1.524 33.345 31.823 -0.003 0.000 1.008 209 V HN 0.727 nan 8.190 nan 0.000 0.424 210 I N 1.376 121.953 120.570 0.012 0.000 2.994 210 I HA 0.576 4.744 4.170 -0.003 0.000 0.306 210 I C -0.668 175.404 176.117 -0.075 0.000 1.195 210 I CA -0.991 60.288 61.300 -0.036 0.000 1.001 210 I CB 1.904 39.878 38.000 -0.043 0.000 1.244 210 I HN 0.550 nan 8.210 nan 0.000 0.437 211 L N 4.159 125.325 121.223 -0.095 0.000 2.500 211 L HA 0.298 4.636 4.340 -0.003 0.000 0.272 211 L C -0.111 176.643 176.870 -0.194 0.000 1.149 211 L CA -0.394 54.356 54.840 -0.150 0.000 0.897 211 L CB 0.537 42.537 42.059 -0.097 0.000 1.178 211 L HN 0.554 nan 8.230 nan 0.000 0.473 212 V N 5.484 125.188 119.914 -0.350 0.000 2.790 212 V HA -0.013 4.105 4.120 -0.003 0.000 0.304 212 V C 1.353 177.343 176.094 -0.174 0.000 1.142 212 V CA 1.452 63.563 62.300 -0.314 0.000 1.282 212 V CB 0.253 31.735 31.823 -0.569 0.000 0.877 212 V HN 1.161 nan 8.190 nan 0.000 0.504 213 G N 3.209 111.956 108.800 -0.088 0.000 2.137 213 G HA2 -0.201 3.758 3.960 -0.003 0.000 0.237 213 G HA3 -0.201 3.758 3.960 -0.003 0.000 0.237 213 G C 0.163 175.042 174.900 -0.034 0.000 1.002 213 G CA 0.226 45.303 45.100 -0.037 0.000 0.702 213 G HN 1.250 nan 8.290 nan 0.000 0.515 214 S N -0.940 114.732 115.700 -0.047 0.000 2.718 214 S HA 0.819 5.287 4.470 -0.003 0.000 0.292 214 S C -0.589 173.988 174.600 -0.038 0.000 1.125 214 S CA -0.690 57.485 58.200 -0.042 0.000 1.013 214 S CB 1.933 65.100 63.200 -0.055 0.000 1.192 214 S HN 0.094 nan 8.310 nan 0.000 0.535 215 D N -0.158 120.215 120.400 -0.045 0.000 2.340 215 D HA 0.757 5.395 4.640 -0.003 0.000 0.240 215 D C -0.817 175.429 176.300 -0.092 0.000 1.001 215 D CA -0.340 53.630 54.000 -0.050 0.000 0.888 215 D CB 1.830 42.611 40.800 -0.032 0.000 1.310 215 D HN 0.635 nan 8.370 nan 0.000 0.474 216 I N 0.034 120.529 120.570 -0.125 0.000 2.828 216 I HA 0.351 4.519 4.170 -0.003 0.000 0.295 216 I C -1.329 174.611 176.117 -0.296 0.000 1.459 216 I CA -0.318 60.837 61.300 -0.242 0.000 1.015 216 I CB 1.971 39.770 38.000 -0.335 0.000 1.345 216 I HN 0.446 nan 8.210 nan 0.000 0.449 217 T N 2.355 116.708 114.554 -0.334 0.000 2.932 217 T HA 0.721 5.069 4.350 -0.003 0.000 0.289 217 T C -1.010 173.478 174.700 -0.354 0.000 1.039 217 T CA -0.464 61.504 62.100 -0.220 0.000 1.024 217 T CB 1.534 70.364 68.868 -0.063 0.000 1.090 217 T HN 0.273 nan 8.240 nan 0.000 0.496 218 F N 0.328 120.363 119.950 0.142 0.000 2.529 218 F HA 0.566 5.091 4.527 -0.003 0.000 0.320 218 F C 0.415 176.325 175.800 0.182 0.000 1.118 218 F CA -1.152 56.964 58.000 0.193 0.000 0.915 218 F CB 1.458 40.638 39.000 0.299 0.000 1.161 218 F HN 0.769 nan 8.300 nan 0.000 0.445 219 c N 1.517 120.309 118.600 0.319 0.000 2.520 219 c HA 0.616 5.184 4.570 -0.003 0.000 0.376 219 c C -0.010 173.993 174.090 -0.144 0.000 1.268 219 c CA -0.632 55.784 56.329 0.146 0.000 2.414 219 c CB 0.830 43.499 42.510 0.265 0.000 2.521 219 c HN 0.929 nan 8.230 nan 0.000 0.618 220 C N 3.745 122.880 119.300 -0.276 0.000 2.982 220 C HA 0.507 4.966 4.460 -0.003 0.000 0.372 220 C C -0.362 174.549 174.990 -0.132 0.000 1.061 220 C CA -0.599 58.149 59.018 -0.450 0.000 1.309 220 C CB -0.853 26.090 27.740 -1.329 0.000 1.766 220 C HN 0.862 nan 8.230 nan 0.000 0.504 221 V N 3.768 123.705 119.914 0.039 0.000 2.775 221 V HA 0.894 5.012 4.120 -0.003 0.000 0.299 221 V C 0.223 176.347 176.094 0.050 0.000 1.062 221 V CA 0.377 62.732 62.300 0.091 0.000 1.063 221 V CB 1.483 33.438 31.823 0.221 0.000 0.994 221 V HN 1.102 nan 8.190 nan 0.000 0.483 222 S N 1.528 117.265 115.700 0.062 0.000 2.633 222 S HA 0.429 4.898 4.470 -0.003 0.000 0.271 222 S C -0.373 174.265 174.600 0.064 0.000 1.112 222 S CA -0.347 57.905 58.200 0.086 0.000 0.828 222 S CB 1.968 65.262 63.200 0.156 0.000 1.086 222 S HN 0.795 nan 8.310 nan 0.000 0.461 223 Q N 0.661 120.502 119.800 0.070 0.000 2.316 223 Q HA 0.455 4.794 4.340 -0.003 0.000 0.235 223 Q C -0.665 175.366 176.000 0.052 0.000 0.863 223 Q CA 0.375 56.207 55.803 0.048 0.000 0.939 223 Q CB 0.588 29.348 28.738 0.037 0.000 1.108 223 Q HN 0.511 nan 8.270 nan 0.000 0.522 224 E N 0.797 121.041 120.200 0.072 0.000 2.166 224 E HA 0.237 4.585 4.350 -0.003 0.000 0.275 224 E C -1.013 175.620 176.600 0.055 0.000 0.941 224 E CA -0.621 55.815 56.400 0.060 0.000 0.784 224 E CB 1.158 30.896 29.700 0.063 0.000 1.115 224 E HN -0.057 nan 8.360 nan 0.000 0.399 225 K N 1.338 121.761 120.400 0.038 0.000 2.579 225 K HA -0.054 4.264 4.320 -0.003 0.000 0.277 225 K C -0.811 175.810 176.600 0.035 0.000 0.985 225 K CA 0.242 56.548 56.287 0.031 0.000 1.088 225 K CB 0.259 32.779 32.500 0.034 0.000 0.836 225 K HN 0.241 nan 8.250 nan 0.000 0.487 226 V N 7.509 127.445 119.914 0.037 0.000 2.383 226 V HA 0.082 4.201 4.120 -0.003 0.000 0.275 226 V C 1.276 177.408 176.094 0.064 0.000 1.036 226 V CA -0.431 61.909 62.300 0.067 0.000 0.889 226 V CB 1.237 33.136 31.823 0.126 0.000 0.985 226 V HN 0.812 nan 8.190 nan 0.000 0.459 227 L N 3.321 124.569 121.223 0.043 0.000 2.049 227 L HA 0.109 4.447 4.340 -0.003 0.000 0.203 227 L C 0.974 177.868 176.870 0.040 0.000 1.074 227 L CA 1.222 56.083 54.840 0.035 0.000 0.749 227 L CB 0.123 42.186 42.059 0.006 0.000 0.907 227 L HN 0.870 nan 8.230 nan 0.000 0.439 228 S N -2.050 113.663 115.700 0.020 0.000 2.615 228 S HA 0.761 5.229 4.470 -0.003 0.000 0.268 228 S C -1.122 173.425 174.600 -0.089 0.000 1.146 228 S CA -0.423 57.771 58.200 -0.009 0.000 0.818 228 S CB 2.172 65.358 63.200 -0.024 0.000 1.111 228 S HN 0.143 nan 8.310 nan 0.000 0.465 229 A N 0.785 123.492 122.820 -0.188 0.000 2.515 229 A HA 0.894 5.212 4.320 -0.003 0.000 0.298 229 A C -1.129 176.259 177.584 -0.326 0.000 1.059 229 A CA -0.946 50.827 52.037 -0.439 0.000 0.698 229 A CB 1.174 19.543 19.000 -1.052 0.000 1.289 229 A HN 1.762 nan 8.150 nan 0.000 0.404 230 L N 0.252 121.273 121.223 -0.336 0.000 2.415 230 L HA 0.716 5.054 4.340 -0.003 0.000 0.256 230 L C 0.228 176.948 176.870 -0.249 0.000 1.010 230 L CA -0.838 53.867 54.840 -0.225 0.000 0.826 230 L CB 1.468 43.434 42.059 -0.156 0.000 1.405 230 L HN 0.690 nan 8.230 nan 0.000 0.410 231 I N 0.997 121.461 120.570 -0.178 0.000 2.641 231 I HA 0.481 4.650 4.170 -0.003 0.000 0.232 231 I C 0.780 176.773 176.117 -0.207 0.000 1.060 231 I CA 0.959 62.158 61.300 -0.169 0.000 1.417 231 I CB 0.519 38.475 38.000 -0.074 0.000 1.227 231 I HN 0.768 nan 8.210 nan 0.000 0.434 232 G N -0.261 108.424 108.800 -0.191 0.000 2.782 232 G HA2 0.348 4.307 3.960 -0.003 0.000 0.280 232 G HA3 0.348 4.307 3.960 -0.003 0.000 0.280 232 G C -1.112 173.642 174.900 -0.244 0.000 1.526 232 G CA -0.254 44.648 45.100 -0.331 0.000 1.083 232 G HN 0.446 nan 8.290 nan 0.000 0.552 233 H N 1.508 120.542 119.070 -0.059 0.000 2.527 233 H HA -0.164 4.390 4.556 -0.003 0.000 0.321 233 H C 0.871 176.173 175.328 -0.043 0.000 1.092 233 H CA 1.368 57.387 56.048 -0.048 0.000 1.118 233 H CB -1.743 27.997 29.762 -0.037 0.000 1.536 233 H HN 0.519 nan 8.280 nan 0.000 0.407 234 T N -1.413 113.143 114.554 0.002 0.000 3.048 234 T HA -0.019 4.329 4.350 -0.003 0.000 0.254 234 T C 0.527 175.215 174.700 -0.021 0.000 0.942 234 T CA 0.259 62.356 62.100 -0.004 0.000 0.931 234 T CB 0.452 69.310 68.868 -0.017 0.000 1.220 234 T HN 0.497 nan 8.240 nan 0.000 0.503 235 N N 1.805 120.475 118.700 -0.051 0.000 2.573 235 N HA -0.149 4.589 4.740 -0.003 0.000 0.280 235 N C -0.800 174.688 175.510 -0.037 0.000 1.187 235 N CA 0.114 53.133 53.050 -0.053 0.000 0.717 235 N CB -1.834 36.636 38.487 -0.029 0.000 0.899 235 N HN 0.494 nan 8.380 nan 0.000 0.546 236 C N 3.077 122.345 119.300 -0.053 0.000 2.452 236 C HA 0.484 4.943 4.460 -0.003 0.000 0.379 236 C C -1.321 173.674 174.990 0.009 0.000 1.275 236 C CA -1.264 57.744 59.018 -0.015 0.000 2.056 236 C CB 0.488 28.221 27.740 -0.013 0.000 2.506 236 C HN 0.528 nan 8.230 nan 0.000 0.560 237 P HA 0.111 nan 4.420 nan 0.000 0.267 237 P C -0.717 176.643 177.300 0.100 0.000 1.201 237 P CA 0.244 63.377 63.100 0.055 0.000 0.775 237 P CB 0.331 32.060 31.700 0.047 0.000 0.854 238 L N 3.234 124.544 121.223 0.145 0.000 2.265 238 L HA 0.352 4.690 4.340 -0.003 0.000 0.288 238 L C 0.357 177.404 176.870 0.294 0.000 1.058 238 L CA -0.543 54.442 54.840 0.242 0.000 0.809 238 L CB 0.317 42.569 42.059 0.321 0.000 1.179 238 L HN 0.251 nan 8.230 nan 0.000 0.429 239 I N 2.962 123.689 120.570 0.261 0.000 2.396 239 I HA 0.091 4.259 4.170 -0.003 0.000 0.289 239 I C -0.198 176.102 176.117 0.306 0.000 1.056 239 I CA -0.470 60.974 61.300 0.239 0.000 1.365 239 I CB 0.363 38.461 38.000 0.164 0.000 1.407 239 I HN 0.439 nan 8.210 nan 0.000 0.509 240 H N 6.400 125.512 119.070 0.071 0.000 2.846 240 H HA 0.365 4.919 4.556 -0.003 0.000 0.278 240 H C -0.136 175.224 175.328 0.053 0.000 1.117 240 H CA -0.287 55.800 56.048 0.064 0.000 1.406 240 H CB 0.593 30.387 29.762 0.052 0.000 1.445 240 H HN 0.334 nan 8.280 nan 0.000 0.469 241 L N 1.341 122.617 121.223 0.088 0.000 2.970 241 L HA 0.168 4.506 4.340 -0.003 0.000 0.214 241 L C 1.785 178.684 176.870 0.047 0.000 1.317 241 L CA -0.092 54.786 54.840 0.063 0.000 1.187 241 L CB 0.523 42.606 42.059 0.040 0.000 2.155 241 L HN 0.508 nan 8.230 nan 0.000 0.554 242 D N -0.647 119.775 120.400 0.037 0.000 2.162 242 D HA 0.046 4.684 4.640 -0.003 0.000 0.203 242 D C 0.561 176.882 176.300 0.035 0.000 0.967 242 D CA 0.926 54.949 54.000 0.039 0.000 0.840 242 D CB 0.270 41.093 40.800 0.039 0.000 0.972 242 D HN 0.528 nan 8.370 nan 0.000 0.482 243 G N 0.389 109.206 108.800 0.028 0.000 3.678 243 G HA2 0.312 4.270 3.960 -0.003 0.000 0.344 243 G HA3 0.312 4.270 3.960 -0.003 0.000 0.344 243 G C -0.071 174.835 174.900 0.010 0.000 1.450 243 G CA -0.338 44.776 45.100 0.024 0.000 1.078 243 G HN -0.089 nan 8.290 nan 0.000 0.474 244 E N 0.439 120.633 120.200 -0.009 0.000 2.604 244 E HA -0.207 4.141 4.350 -0.003 0.000 0.255 244 E C 0.394 176.965 176.600 -0.049 0.000 1.164 244 E CA 0.709 57.083 56.400 -0.044 0.000 0.737 244 E CB -0.959 28.739 29.700 -0.004 0.000 1.317 244 E HN 0.579 nan 8.360 nan 0.000 0.417 245 N N -0.152 118.525 118.700 -0.039 0.000 2.498 245 N HA 0.381 5.119 4.740 -0.003 0.000 0.287 245 N C -0.212 175.266 175.510 -0.054 0.000 1.097 245 N CA 0.245 53.280 53.050 -0.025 0.000 0.973 245 N CB 1.613 40.109 38.487 0.014 0.000 1.153 245 N HN 0.079 nan 8.380 nan 0.000 0.472 246 V N -1.708 118.180 119.914 -0.043 0.000 2.914 246 V HA 0.992 5.110 4.120 -0.003 0.000 0.314 246 V C -0.377 175.764 176.094 0.078 0.000 1.084 246 V CA -1.036 61.275 62.300 0.019 0.000 0.963 246 V CB 1.429 33.313 31.823 0.102 0.000 1.025 246 V HN 0.718 nan 8.190 nan 0.000 0.432 247 A N 3.777 126.708 122.820 0.184 0.000 2.469 247 A HA 1.014 5.333 4.320 -0.003 0.000 0.299 247 A C -0.705 177.064 177.584 0.308 0.000 1.098 247 A CA -0.769 51.403 52.037 0.225 0.000 0.737 247 A CB 1.791 20.882 19.000 0.151 0.000 1.312 247 A HN 1.871 nan 8.150 nan 0.000 0.414 248 I N -1.583 119.187 120.570 0.333 0.000 2.607 248 I HA 0.552 4.720 4.170 -0.003 0.000 0.290 248 I C -0.714 175.519 176.117 0.192 0.000 1.129 248 I CA -0.724 60.734 61.300 0.264 0.000 1.042 248 I CB 1.973 40.138 38.000 0.276 0.000 1.242 248 I HN 0.541 nan 8.210 nan 0.000 0.421 249 K N 5.831 126.303 120.400 0.120 0.000 2.118 249 K HA 0.727 5.045 4.320 -0.003 0.000 0.267 249 K C -1.235 175.405 176.600 0.066 0.000 0.991 249 K CA -0.652 55.675 56.287 0.067 0.000 0.916 249 K CB 1.576 34.105 32.500 0.049 0.000 1.041 249 K HN 0.690 nan 8.250 nan 0.000 0.455 250 I N 2.993 123.582 120.570 0.032 0.000 2.647 250 I HA 0.410 4.578 4.170 -0.003 0.000 0.295 250 I C -0.656 175.466 176.117 0.008 0.000 1.078 250 I CA -1.046 60.278 61.300 0.039 0.000 1.048 250 I CB 2.273 40.322 38.000 0.080 0.000 1.239 250 I HN 0.501 nan 8.210 nan 0.000 0.421 251 R N 2.363 122.872 120.500 0.014 0.000 2.854 251 R HA 0.415 4.753 4.340 -0.003 0.000 0.271 251 R C -0.172 176.132 176.300 0.005 0.000 0.996 251 R CA -1.007 55.096 56.100 0.005 0.000 0.961 251 R CB 0.712 31.018 30.300 0.010 0.000 1.182 251 R HN 0.632 nan 8.270 nan 0.000 0.479 252 N N 0.929 119.628 118.700 -0.000 0.000 2.686 252 N HA -0.228 4.510 4.740 -0.003 0.000 0.261 252 N C -0.835 174.675 175.510 -0.001 0.000 1.001 252 N CA 0.131 53.182 53.050 0.000 0.000 0.764 252 N CB -0.703 37.789 38.487 0.008 0.000 0.898 252 N HN 0.590 nan 8.380 nan 0.000 0.544 253 I N 0.345 120.910 120.570 -0.009 0.000 2.845 253 I HA 0.018 4.187 4.170 -0.003 0.000 0.296 253 I C 0.708 176.817 176.117 -0.014 0.000 1.216 253 I CA 0.698 61.995 61.300 -0.006 0.000 1.438 253 I CB 0.516 38.509 38.000 -0.011 0.000 1.342 253 I HN 0.383 nan 8.210 nan 0.000 0.577 254 S N 5.732 121.430 115.700 -0.003 0.000 2.608 254 S HA 0.542 5.010 4.470 -0.003 0.000 0.291 254 S C -0.471 174.127 174.600 -0.004 0.000 1.146 254 S CA -0.934 57.267 58.200 0.002 0.000 1.043 254 S CB 1.057 64.266 63.200 0.016 0.000 1.037 254 S HN 0.541 nan 8.310 nan 0.000 0.520 255 V N 4.361 124.283 119.914 0.013 0.000 2.644 255 V HA 0.052 4.171 4.120 -0.003 0.000 0.303 255 V C 0.885 176.992 176.094 0.022 0.000 1.058 255 V CA 0.143 62.460 62.300 0.029 0.000 1.228 255 V CB -1.082 30.805 31.823 0.106 0.000 0.861 255 V HN 0.855 nan 8.190 nan 0.000 0.484 256 S N 3.447 119.153 115.700 0.010 0.000 2.608 256 S HA 0.631 5.100 4.470 -0.003 0.000 0.261 256 S C 0.569 175.176 174.600 0.012 0.000 1.314 256 S CA -0.070 58.120 58.200 -0.018 0.000 0.992 256 S CB 1.104 64.269 63.200 -0.059 0.000 0.935 256 S HN 1.198 nan 8.310 nan 0.000 0.564 257 A N 0.990 123.799 122.820 -0.018 0.000 2.246 257 A HA 0.542 4.860 4.320 -0.003 0.000 0.291 257 A C 1.677 179.286 177.584 0.041 0.000 1.103 257 A CA 0.024 52.069 52.037 0.012 0.000 0.844 257 A CB -0.267 18.730 19.000 -0.006 0.000 1.136 257 A HN 1.023 nan 8.150 nan 0.000 0.500 258 S N -0.076 115.662 115.700 0.062 0.000 2.399 258 S HA -0.158 4.311 4.470 -0.003 0.000 0.235 258 S C 1.172 175.851 174.600 0.131 0.000 1.063 258 S CA 1.940 60.198 58.200 0.096 0.000 1.070 258 S CB -0.662 62.582 63.200 0.074 0.000 0.904 258 S HN 1.349 nan 8.310 nan 0.000 0.456 259 S N 0.911 116.647 115.700 0.060 0.000 2.508 259 S HA 0.603 5.072 4.470 -0.003 0.000 0.284 259 S C 0.469 174.938 174.600 -0.220 0.000 1.192 259 S CA -0.377 57.835 58.200 0.020 0.000 1.070 259 S CB 0.691 63.886 63.200 -0.008 0.000 1.004 259 S HN 0.762 nan 8.310 nan 0.000 0.493 260 G N 3.405 111.756 108.800 -0.748 0.000 2.484 260 G HA2 0.276 4.235 3.960 -0.003 0.000 0.235 260 G HA3 0.276 4.235 3.960 -0.003 0.000 0.235 260 G C 0.085 174.637 174.900 -0.581 0.000 1.282 260 G CA -0.307 44.044 45.100 -1.247 0.000 0.857 260 G HN 0.792 nan 8.290 nan 0.000 0.571 261 T N 2.103 116.423 114.554 -0.389 0.000 2.939 261 T HA 0.035 4.383 4.350 -0.003 0.000 0.319 261 T C 0.611 175.155 174.700 -0.260 0.000 1.082 261 T CA 0.258 62.211 62.100 -0.244 0.000 1.133 261 T CB 0.187 68.963 68.868 -0.154 0.000 1.019 261 T HN 0.583 nan 8.240 nan 0.000 0.548 262 N N 0.744 119.308 118.700 -0.227 0.000 2.443 262 N HA 0.575 5.314 4.740 -0.003 0.000 0.293 262 N C -1.317 174.036 175.510 -0.261 0.000 1.159 262 N CA -0.716 52.196 53.050 -0.230 0.000 0.904 262 N CB 1.975 40.347 38.487 -0.192 0.000 1.214 262 N HN 0.231 nan 8.380 nan 0.000 0.513 263 V N 1.169 120.902 119.914 -0.302 0.000 2.524 263 V HA 0.306 4.425 4.120 -0.003 0.000 0.297 263 V C -0.237 175.699 176.094 -0.263 0.000 1.035 263 V CA -0.855 61.216 62.300 -0.381 0.000 0.867 263 V CB 1.615 33.015 31.823 -0.705 0.000 1.004 263 V HN 0.545 nan 8.190 nan 0.000 0.426 264 V N 1.666 121.417 119.914 -0.273 0.000 2.540 264 V HA 0.759 4.877 4.120 -0.003 0.000 0.302 264 V C -0.955 174.979 176.094 -0.265 0.000 1.035 264 V CA -0.647 61.560 62.300 -0.155 0.000 0.873 264 V CB 1.680 33.425 31.823 -0.129 0.000 0.992 264 V HN 0.492 nan 8.190 nan 0.000 0.428 265 F N 2.587 122.503 119.950 -0.055 0.000 2.425 265 F HA 0.817 5.343 4.527 -0.003 0.000 0.331 265 F C 0.874 176.599 175.800 -0.125 0.000 1.085 265 F CA 0.047 58.023 58.000 -0.040 0.000 1.028 265 F CB 2.279 41.307 39.000 0.047 0.000 1.177 265 F HN 0.862 nan 8.300 nan 0.000 0.487 266 T N -1.238 113.317 114.554 0.002 0.000 2.893 266 T HA 0.751 5.099 4.350 -0.003 0.000 0.293 266 T C -0.443 174.195 174.700 -0.104 0.000 1.027 266 T CA -0.671 61.358 62.100 -0.118 0.000 0.988 266 T CB 1.656 70.462 68.868 -0.103 0.000 1.043 266 T HN 0.723 nan 8.240 nan 0.000 0.461 267 T N -0.410 114.033 114.554 -0.186 0.000 2.883 267 T HA 0.544 4.892 4.350 -0.003 0.000 0.284 267 T C 1.110 175.756 174.700 -0.091 0.000 1.041 267 T CA -0.379 61.649 62.100 -0.120 0.000 1.007 267 T CB 1.718 70.499 68.868 -0.146 0.000 1.220 267 T HN 0.689 nan 8.240 nan 0.000 0.552 268 E N 0.939 121.110 120.200 -0.049 0.000 2.045 268 E HA -0.250 4.098 4.350 -0.003 0.000 0.212 268 E C 1.382 177.954 176.600 -0.047 0.000 1.039 268 E CA 2.697 59.077 56.400 -0.034 0.000 0.860 268 E CB -0.524 29.169 29.700 -0.013 0.000 0.776 268 E HN 0.706 nan 8.360 nan 0.000 0.467 269 D N -0.482 119.889 120.400 -0.049 0.000 2.214 269 D HA -0.022 4.616 4.640 -0.003 0.000 0.217 269 D C 0.980 177.233 176.300 -0.078 0.000 0.973 269 D CA 0.368 54.342 54.000 -0.044 0.000 0.880 269 D CB -0.238 40.553 40.800 -0.015 0.000 1.031 269 D HN 0.174 nan 8.370 nan 0.000 0.468 270 N N 0.258 118.877 118.700 -0.134 0.000 2.643 270 N HA 0.432 5.170 4.740 -0.003 0.000 0.305 270 N C -1.045 174.213 175.510 -0.420 0.000 1.283 270 N CA -0.456 52.464 53.050 -0.218 0.000 0.946 270 N CB 2.475 40.879 38.487 -0.139 0.000 1.149 270 N HN 0.014 nan 8.380 nan 0.000 0.600 271 I N 0.906 121.170 120.570 -0.509 0.000 2.692 271 I HA 0.381 4.549 4.170 -0.003 0.000 0.293 271 I C -1.621 174.261 176.117 -0.393 0.000 1.200 271 I CA -0.545 60.461 61.300 -0.490 0.000 1.036 271 I CB 1.125 39.007 38.000 -0.197 0.000 1.258 271 I HN 0.365 nan 8.210 nan 0.000 0.421 272 F N 4.706 124.680 119.950 0.041 0.000 2.661 272 F HA 1.017 5.542 4.527 -0.003 0.000 0.347 272 F C 0.712 176.536 175.800 0.039 0.000 1.086 272 F CA -1.012 57.005 58.000 0.027 0.000 1.016 272 F CB 1.439 40.450 39.000 0.018 0.000 1.368 272 F HN 0.577 nan 8.300 nan 0.000 0.505 273 G N -0.725 108.210 108.800 0.225 0.000 2.325 273 G HA2 0.471 4.430 3.960 -0.003 0.000 0.297 273 G HA3 0.471 4.430 3.960 -0.003 0.000 0.297 273 G C -1.659 173.235 174.900 -0.011 0.000 1.448 273 G CA -0.199 44.953 45.100 0.087 0.000 0.838 273 G HN 0.821 nan 8.290 nan 0.000 0.579 274 T N -2.172 112.329 114.554 -0.089 0.000 2.654 274 T HA 0.791 5.140 4.350 -0.003 0.000 0.289 274 T C -1.141 173.475 174.700 -0.140 0.000 1.062 274 T CA 0.064 62.103 62.100 -0.101 0.000 1.041 274 T CB 1.640 70.450 68.868 -0.097 0.000 1.417 274 T HN 1.211 nan 8.240 nan 0.000 0.510 275 V N 1.265 121.128 119.914 -0.085 0.000 3.102 275 V HA 0.868 4.986 4.120 -0.003 0.000 0.312 275 V C -1.051 175.009 176.094 -0.057 0.000 1.135 275 V CA -0.846 61.370 62.300 -0.141 0.000 1.022 275 V CB 1.866 33.604 31.823 -0.141 0.000 1.056 275 V HN 0.897 nan 8.190 nan 0.000 0.436 276 I N 1.345 121.799 120.570 -0.192 0.000 2.752 276 I HA 0.708 4.876 4.170 -0.003 0.000 0.295 276 I C -1.992 174.002 176.117 -0.204 0.000 1.219 276 I CA -0.319 60.997 61.300 0.028 0.000 1.030 276 I CB 2.028 40.158 38.000 0.216 0.000 1.259 276 I HN 0.441 nan 8.210 nan 0.000 0.423 277 F N 6.512 126.482 119.950 0.034 0.000 2.477 277 F HA 0.799 5.324 4.527 -0.002 0.000 0.335 277 F C 0.160 175.951 175.800 -0.015 0.000 1.130 277 F CA -0.676 57.329 58.000 0.007 0.000 0.948 277 F CB 1.967 40.967 39.000 0.001 0.000 1.154 277 F HN 0.527 nan 8.300 nan 0.000 0.439 278 A N 2.387 125.270 122.820 0.106 0.000 2.273 278 A HA 0.887 5.205 4.320 -0.003 0.000 0.315 278 A C -0.006 177.557 177.584 -0.035 0.000 1.256 278 A CA -0.097 51.941 52.037 0.002 0.000 0.851 278 A CB 0.572 19.548 19.000 -0.041 0.000 1.172 278 A HN 0.938 nan 8.150 nan 0.000 0.508 279 G N 0.446 109.186 108.800 -0.101 0.000 3.021 279 G HA2 0.636 4.595 3.960 -0.003 0.000 0.290 279 G HA3 0.636 4.595 3.960 -0.003 0.000 0.290 279 G C -1.496 173.218 174.900 -0.311 0.000 1.291 279 G CA -0.481 44.558 45.100 -0.101 0.000 0.834 279 G HN 0.508 nan 8.290 nan 0.000 0.564 280 Y N -0.337 119.976 120.300 0.022 0.000 2.598 280 Y HA 0.587 5.135 4.550 -0.003 0.000 0.340 280 Y C -1.981 173.916 175.900 -0.006 0.000 1.038 280 Y CA -1.976 56.130 58.100 0.011 0.000 1.100 280 Y CB 1.695 40.166 38.460 0.019 0.000 1.281 280 Y HN 0.286 nan 8.280 nan 0.000 0.488 281 P HA 0.116 nan 4.420 nan 0.000 0.282 281 P C -2.622 174.720 177.300 0.069 0.000 1.286 281 P CA -0.984 62.149 63.100 0.054 0.000 0.777 281 P CB -0.194 31.529 31.700 0.039 0.000 1.184 282 P HA 0.183 nan 4.420 nan 0.000 0.284 282 P C -0.715 176.629 177.300 0.072 0.000 1.258 282 P CA -0.040 63.090 63.100 0.050 0.000 0.824 282 P CB 0.479 32.176 31.700 -0.005 0.000 1.038 283 D N 0.356 120.816 120.400 0.100 0.000 2.339 283 D HA 0.121 4.759 4.640 -0.003 0.000 0.245 283 D C -0.137 176.222 176.300 0.098 0.000 1.115 283 D CA 0.227 54.277 54.000 0.083 0.000 0.917 283 D CB 0.356 41.201 40.800 0.075 0.000 1.192 283 D HN 0.160 nan 8.370 nan 0.000 0.428 284 T N 4.821 119.413 114.554 0.064 0.000 2.829 284 T HA 0.147 4.496 4.350 -0.003 0.000 0.293 284 T C -2.081 172.656 174.700 0.062 0.000 0.970 284 T CA -0.930 61.201 62.100 0.051 0.000 1.168 284 T CB 0.470 69.357 68.868 0.031 0.000 0.911 284 T HN 0.277 nan 8.240 nan 0.000 0.535 285 P HA -0.013 nan 4.420 nan 0.000 0.260 285 P C -0.319 177.016 177.300 0.057 0.000 1.185 285 P CA 0.078 63.201 63.100 0.039 0.000 0.763 285 P CB 0.475 32.048 31.700 -0.211 0.000 0.776 286 Q N 2.956 122.816 119.800 0.099 0.000 2.230 286 Q HA 0.118 4.456 4.340 -0.003 0.000 0.253 286 Q C -0.242 175.812 176.000 0.089 0.000 0.919 286 Q CA -0.419 55.427 55.803 0.073 0.000 0.908 286 Q CB 0.629 29.399 28.738 0.053 0.000 1.245 286 Q HN 0.271 nan 8.270 nan 0.000 0.437 287 Q N 0.931 120.772 119.800 0.068 0.000 2.456 287 Q HA -0.201 4.137 4.340 -0.003 0.000 0.325 287 Q C -1.275 174.786 176.000 0.102 0.000 1.453 287 Q CA 0.373 56.217 55.803 0.068 0.000 0.848 287 Q CB -2.005 26.759 28.738 0.043 0.000 1.123 287 Q HN 0.536 nan 8.270 nan 0.000 0.374 288 L N 1.905 123.187 121.223 0.098 0.000 2.268 288 L HA 0.456 4.794 4.340 -0.003 0.000 0.289 288 L C -0.484 176.442 176.870 0.093 0.000 1.064 288 L CA 0.122 55.029 54.840 0.112 0.000 0.824 288 L CB 0.622 42.716 42.059 0.057 0.000 1.202 288 L HN 0.208 nan 8.230 nan 0.000 0.433 289 N N 4.023 122.781 118.700 0.097 0.000 2.225 289 N HA 0.519 5.258 4.740 -0.003 0.000 0.298 289 N C -1.560 173.991 175.510 0.067 0.000 1.076 289 N CA -0.370 52.736 53.050 0.093 0.000 0.792 289 N CB 1.937 40.491 38.487 0.112 0.000 1.498 289 N HN 0.471 nan 8.380 nan 0.000 0.474 290 c N 0.851 119.491 118.600 0.066 0.000 2.346 290 c HA 0.462 5.030 4.570 -0.003 0.000 0.326 290 c C 0.625 174.748 174.090 0.056 0.000 1.224 290 c CA -0.868 55.484 56.329 0.038 0.000 1.408 290 c CB 0.131 42.658 42.510 0.028 0.000 2.089 290 c HN 0.789 nan 8.230 nan 0.000 0.456 291 E N 1.076 121.328 120.200 0.086 0.000 2.568 291 E HA 0.790 5.139 4.350 -0.003 0.000 0.242 291 E C -0.761 175.925 176.600 0.143 0.000 0.945 291 E CA -0.550 55.922 56.400 0.120 0.000 0.918 291 E CB 1.555 31.393 29.700 0.230 0.000 1.386 291 E HN 0.429 nan 8.360 nan 0.000 0.426 292 T N -1.188 113.496 114.554 0.215 0.000 3.295 292 T HA 0.186 4.534 4.350 -0.003 0.000 0.331 292 T C -0.322 174.563 174.700 0.309 0.000 1.142 292 T CA -0.503 61.731 62.100 0.224 0.000 1.078 292 T CB 0.972 69.909 68.868 0.116 0.000 1.150 292 T HN 0.602 nan 8.240 nan 0.000 0.465 293 H N 2.727 121.877 119.070 0.134 0.000 2.333 293 H HA 0.098 4.653 4.556 -0.002 0.000 0.302 293 H C 0.132 175.577 175.328 0.195 0.000 1.075 293 H CA 1.381 57.477 56.048 0.081 0.000 1.348 293 H CB 0.572 30.343 29.762 0.015 0.000 1.393 293 H HN 0.737 nan 8.280 nan 0.000 0.509 294 D N -0.592 119.957 120.400 0.248 0.000 2.601 294 D HA 0.213 4.851 4.640 -0.003 0.000 0.230 294 D C -0.511 175.730 176.300 -0.099 0.000 1.106 294 D CA -0.646 53.371 54.000 0.028 0.000 0.873 294 D CB 1.258 42.072 40.800 0.023 0.000 1.515 294 D HN -0.045 nan 8.370 nan 0.000 0.468 295 L N 1.218 122.244 121.223 -0.329 0.000 2.697 295 L HA 0.163 4.502 4.340 -0.003 0.000 0.239 295 L C 1.359 178.162 176.870 -0.111 0.000 1.430 295 L CA 0.220 54.955 54.840 -0.175 0.000 1.193 295 L CB -0.545 41.389 42.059 -0.208 0.000 1.516 295 L HN 0.567 nan 8.230 nan 0.000 0.439 296 K N 0.779 121.143 120.400 -0.059 0.000 2.485 296 K HA 0.137 4.455 4.320 -0.003 0.000 0.200 296 K C 0.174 176.780 176.600 0.010 0.000 1.352 296 K CA 0.057 56.330 56.287 -0.023 0.000 0.953 296 K CB 0.956 33.437 32.500 -0.032 0.000 1.387 296 K HN 0.482 nan 8.250 nan 0.000 0.512 297 E N 0.583 120.794 120.200 0.019 0.000 2.408 297 E HA 0.394 4.743 4.350 -0.003 0.000 0.275 297 E C -0.955 175.676 176.600 0.052 0.000 0.935 297 E CA -0.942 55.480 56.400 0.037 0.000 0.775 297 E CB 1.967 31.678 29.700 0.018 0.000 1.277 297 E HN 0.042 nan 8.360 nan 0.000 0.455 298 I N 1.149 121.762 120.570 0.072 0.000 2.648 298 I HA 0.402 4.570 4.170 -0.003 0.000 0.304 298 I C -0.389 175.750 176.117 0.036 0.000 1.009 298 I CA -1.379 59.955 61.300 0.056 0.000 1.114 298 I CB 1.639 39.662 38.000 0.038 0.000 1.293 298 I HN 0.458 nan 8.210 nan 0.000 0.449 299 I N 4.037 124.622 120.570 0.025 0.000 2.437 299 I HA 0.201 4.369 4.170 -0.003 0.000 0.279 299 I C -0.704 175.398 176.117 -0.026 0.000 1.028 299 I CA -0.253 61.049 61.300 0.004 0.000 1.142 299 I CB 1.192 39.211 38.000 0.031 0.000 1.266 299 I HN 0.575 nan 8.210 nan 0.000 0.461 300 c N 5.413 123.962 118.600 -0.084 0.000 2.227 300 c HA 0.405 4.973 4.570 -0.003 0.000 0.333 300 c C 1.062 175.207 174.090 0.091 0.000 1.145 300 c CA -0.427 55.858 56.329 -0.074 0.000 1.643 300 c CB -0.765 41.570 42.510 -0.292 0.000 2.185 300 c HN 0.791 nan 8.230 nan 0.000 0.497 301 S N 3.012 118.752 115.700 0.066 0.000 2.565 301 S HA 0.854 5.322 4.470 -0.003 0.000 0.290 301 S C -0.854 173.831 174.600 0.142 0.000 1.150 301 S CA -0.607 57.595 58.200 0.003 0.000 1.058 301 S CB 1.310 64.466 63.200 -0.073 0.000 1.032 301 S HN 0.939 nan 8.310 nan 0.000 0.510 302 W N 1.001 122.262 121.300 -0.066 0.000 3.003 302 W HA 0.752 5.410 4.660 -0.004 0.000 0.362 302 W C -1.735 174.708 176.519 -0.128 0.000 1.213 302 W CA -0.915 56.377 57.345 -0.088 0.000 1.157 302 W CB 0.869 30.265 29.460 -0.107 0.000 1.493 302 W HN 0.696 nan 8.180 nan 0.000 0.589 303 N N 1.534 120.321 118.700 0.144 0.000 2.371 303 N HA 0.526 5.265 4.740 -0.003 0.000 0.291 303 N C -2.738 172.865 175.510 0.154 0.000 1.053 303 N CA -1.748 51.277 53.050 -0.041 0.000 0.870 303 N CB 2.606 41.044 38.487 -0.081 0.000 1.503 303 N HN 0.168 nan 8.380 nan 0.000 0.485 304 P HA 0.213 nan 4.420 nan 0.000 0.274 304 P C -0.035 177.331 177.300 0.109 0.000 1.231 304 P CA -0.096 63.139 63.100 0.225 0.000 0.790 304 P CB 1.509 33.405 31.700 0.327 0.000 0.951 305 G N 2.556 111.423 108.800 0.113 0.000 3.372 305 G HA2 0.150 4.109 3.960 -0.003 0.000 0.178 305 G HA3 0.150 4.109 3.960 -0.003 0.000 0.178 305 G C -0.184 174.736 174.900 0.034 0.000 1.817 305 G CA -0.317 44.814 45.100 0.052 0.000 0.996 305 G HN 0.354 nan 8.290 nan 0.000 0.559 306 R N -0.134 120.368 120.500 0.003 0.000 2.537 306 R HA 0.243 4.582 4.340 -0.003 0.000 0.281 306 R C 0.031 176.333 176.300 0.004 0.000 0.988 306 R CA -0.065 56.010 56.100 -0.043 0.000 1.077 306 R CB 0.213 30.434 30.300 -0.131 0.000 0.932 306 R HN 0.148 nan 8.270 nan 0.000 0.409 307 V N 3.073 122.991 119.914 0.006 0.000 2.540 307 V HA -0.060 4.059 4.120 -0.003 0.000 0.297 307 V C 1.881 178.034 176.094 0.098 0.000 1.024 307 V CA 0.664 63.001 62.300 0.061 0.000 1.105 307 V CB 0.757 32.615 31.823 0.057 0.000 0.938 307 V HN 1.051 nan 8.190 nan 0.000 0.482 308 T N 1.952 116.585 114.554 0.131 0.000 3.025 308 T HA -0.067 4.281 4.350 -0.003 0.000 0.270 308 T C 1.389 176.214 174.700 0.209 0.000 1.126 308 T CA 1.149 63.351 62.100 0.170 0.000 1.105 308 T CB -0.348 68.582 68.868 0.103 0.000 0.884 308 T HN 2.057 nan 8.240 nan 0.000 0.522 309 A N -0.095 122.830 122.820 0.175 0.000 3.132 309 A HA -0.098 4.220 4.320 -0.003 0.000 0.266 309 A C 0.296 177.967 177.584 0.145 0.000 1.216 309 A CA 1.346 53.484 52.037 0.169 0.000 0.985 309 A CB -2.519 16.616 19.000 0.225 0.000 1.102 309 A HN 0.686 nan 8.150 nan 0.000 0.833 310 L N -0.334 120.960 121.223 0.118 0.000 2.356 310 L HA 0.771 5.109 4.340 -0.003 0.000 0.277 310 L C 0.395 177.301 176.870 0.060 0.000 0.996 310 L CA -0.604 54.288 54.840 0.087 0.000 0.822 310 L CB 1.848 43.927 42.059 0.033 0.000 1.256 310 L HN 0.637 nan 8.230 nan 0.000 0.413 311 V N -0.335 119.613 119.914 0.056 0.000 3.087 311 V HA 1.012 5.130 4.120 -0.003 0.000 0.311 311 V C 0.592 176.693 176.094 0.012 0.000 1.333 311 V CA 0.122 62.449 62.300 0.046 0.000 1.054 311 V CB 0.872 32.739 31.823 0.072 0.000 1.123 311 V HN 0.928 nan 8.190 nan 0.000 0.473 312 G N 0.381 109.193 108.800 0.020 0.000 2.594 312 G HA2 -0.215 3.743 3.960 -0.003 0.000 0.297 312 G HA3 -0.215 3.743 3.960 -0.003 0.000 0.297 312 G C -1.063 173.819 174.900 -0.030 0.000 1.273 312 G CA 0.490 45.592 45.100 0.004 0.000 0.974 312 G HN 1.102 nan 8.290 nan 0.000 0.552 313 P HA -0.017 nan 4.420 nan 0.000 0.240 313 P C 0.819 178.058 177.300 -0.100 0.000 1.186 313 P CA 1.716 64.775 63.100 -0.068 0.000 0.755 313 P CB -0.300 31.354 31.700 -0.077 0.000 0.870 314 R N -2.472 117.961 120.500 -0.111 0.000 2.534 314 R HA 0.493 4.831 4.340 -0.003 0.000 0.438 314 R C 0.054 176.300 176.300 -0.090 0.000 0.913 314 R CA -0.461 55.560 56.100 -0.132 0.000 1.130 314 R CB -0.096 30.070 30.300 -0.222 0.000 1.611 314 R HN -0.134 nan 8.270 nan 0.000 0.571 315 A N 1.665 124.453 122.820 -0.052 0.000 2.462 315 A HA 0.219 4.537 4.320 -0.003 0.000 0.243 315 A C 0.468 178.014 177.584 -0.063 0.000 1.076 315 A CA 0.333 52.356 52.037 -0.023 0.000 0.773 315 A CB 0.576 19.584 19.000 0.013 0.000 1.010 315 A HN 0.349 nan 8.150 nan 0.000 0.493 316 T N 1.424 115.934 114.554 -0.073 0.000 2.934 316 T HA 0.326 4.674 4.350 -0.003 0.000 0.306 316 T C 0.515 175.025 174.700 -0.317 0.000 1.042 316 T CA 0.584 62.566 62.100 -0.197 0.000 1.145 316 T CB -0.414 68.344 68.868 -0.184 0.000 0.982 316 T HN 1.540 nan 8.240 nan 0.000 0.544 317 S N 4.364 119.844 115.700 -0.368 0.000 2.537 317 S HA 0.666 5.134 4.470 -0.003 0.000 0.301 317 S C -1.369 172.931 174.600 -0.500 0.000 1.092 317 S CA -0.812 57.202 58.200 -0.310 0.000 1.048 317 S CB 0.895 64.037 63.200 -0.097 0.000 1.053 317 S HN 0.687 nan 8.310 nan 0.000 0.501 318 Y N 0.433 120.742 120.300 0.014 0.000 2.468 318 Y HA 0.662 5.210 4.550 -0.003 0.000 0.342 318 Y C 0.258 176.120 175.900 -0.062 0.000 1.021 318 Y CA -0.704 57.360 58.100 -0.060 0.000 1.079 318 Y CB 2.678 41.112 38.460 -0.042 0.000 1.226 318 Y HN 0.770 nan 8.280 nan 0.000 0.460 319 T N 3.353 117.925 114.554 0.030 0.000 3.143 319 T HA 0.264 4.612 4.350 -0.003 0.000 0.312 319 T C -1.606 173.084 174.700 -0.016 0.000 0.986 319 T CA -0.533 61.574 62.100 0.012 0.000 1.024 319 T CB 1.064 69.895 68.868 -0.061 0.000 1.030 319 T HN 0.375 nan 8.240 nan 0.000 0.448 320 L N 4.699 125.954 121.223 0.054 0.000 2.268 320 L HA 0.686 5.024 4.340 -0.003 0.000 0.289 320 L C -0.344 176.657 176.870 0.218 0.000 1.064 320 L CA -0.466 54.406 54.840 0.054 0.000 0.824 320 L CB 0.605 42.670 42.059 0.010 0.000 1.202 320 L HN 0.560 nan 8.230 nan 0.000 0.433 321 V N 5.393 125.410 119.914 0.170 0.000 2.472 321 V HA 0.493 4.611 4.120 -0.003 0.000 0.290 321 V C -0.313 175.914 176.094 0.221 0.000 1.037 321 V CA -0.530 61.914 62.300 0.240 0.000 0.908 321 V CB 1.675 33.564 31.823 0.111 0.000 0.985 321 V HN 0.803 nan 8.190 nan 0.000 0.454 322 E N 3.965 124.318 120.200 0.254 0.000 2.156 322 E HA 0.286 4.635 4.350 -0.003 0.000 0.279 322 E C 0.818 177.375 176.600 -0.072 0.000 0.965 322 E CA 0.254 56.693 56.400 0.064 0.000 0.789 322 E CB 1.959 31.746 29.700 0.145 0.000 1.098 322 E HN 0.835 nan 8.360 nan 0.000 0.397 323 S N 3.651 119.148 115.700 -0.339 0.000 2.414 323 S HA -0.225 4.243 4.470 -0.003 0.000 0.225 323 S C 1.553 175.929 174.600 -0.373 0.000 1.041 323 S CA 2.032 59.935 58.200 -0.495 0.000 1.114 323 S CB -0.247 62.382 63.200 -0.951 0.000 1.064 323 S HN 0.548 nan 8.310 nan 0.000 0.420 324 F N 1.093 121.042 119.950 -0.002 0.000 2.094 324 F HA 0.180 4.705 4.527 -0.003 0.000 0.291 324 F C 3.068 178.891 175.800 0.038 0.000 1.109 324 F CA 0.767 58.768 58.000 0.001 0.000 1.221 324 F CB -1.477 37.501 39.000 -0.038 0.000 1.014 324 F HN 0.288 nan 8.300 nan 0.000 0.473 325 S N -0.010 115.875 115.700 0.309 0.000 2.389 325 S HA -0.145 4.323 4.470 -0.003 0.000 0.231 325 S C 2.121 176.830 174.600 0.182 0.000 1.052 325 S CA 2.324 60.673 58.200 0.250 0.000 1.053 325 S CB -1.096 62.315 63.200 0.351 0.000 0.886 325 S HN 0.859 nan 8.310 nan 0.000 0.456 326 G N 0.679 109.578 108.800 0.165 0.000 2.284 326 G HA2 -0.305 3.653 3.960 -0.003 0.000 0.247 326 G HA3 -0.305 3.653 3.960 -0.003 0.000 0.247 326 G C 0.178 175.188 174.900 0.184 0.000 1.012 326 G CA 0.565 45.753 45.100 0.146 0.000 0.618 326 G HN 0.797 nan 8.290 nan 0.000 0.521 327 K N 0.831 121.344 120.400 0.187 0.000 2.436 327 K HA 0.430 4.748 4.320 -0.003 0.000 0.275 327 K C 0.451 177.223 176.600 0.286 0.000 0.999 327 K CA 0.259 56.603 56.287 0.095 0.000 0.980 327 K CB 0.128 32.636 32.500 0.014 0.000 0.919 327 K HN 0.675 nan 8.250 nan 0.000 0.484 328 Y N -0.434 119.961 120.300 0.159 0.000 2.805 328 Y HA 0.702 5.250 4.550 -0.004 0.000 0.323 328 Y C -1.266 174.702 175.900 0.114 0.000 1.279 328 Y CA -1.364 56.853 58.100 0.195 0.000 1.103 328 Y CB 1.174 39.700 38.460 0.109 0.000 1.324 328 Y HN 0.119 nan 8.280 nan 0.000 0.498 329 V N 1.401 121.601 119.914 0.476 0.000 2.770 329 V HA 0.403 4.521 4.120 -0.003 0.000 0.280 329 V C -1.569 174.678 176.094 0.255 0.000 1.189 329 V CA -0.675 61.797 62.300 0.286 0.000 0.932 329 V CB 1.318 33.229 31.823 0.146 0.000 1.065 329 V HN 0.913 nan 8.190 nan 0.000 0.462 330 R N 5.938 126.579 120.500 0.237 0.000 2.235 330 R HA 0.515 4.854 4.340 -0.003 0.000 0.338 330 R C -0.086 176.284 176.300 0.117 0.000 1.087 330 R CA -0.557 55.626 56.100 0.138 0.000 0.948 330 R CB 0.893 31.244 30.300 0.085 0.000 1.099 330 R HN 0.833 nan 8.270 nan 0.000 0.483 331 L N 3.526 124.833 121.223 0.140 0.000 2.477 331 L HA 0.226 4.564 4.340 -0.003 0.000 0.272 331 L C -0.459 176.458 176.870 0.079 0.000 1.157 331 L CA -0.220 54.690 54.840 0.116 0.000 0.889 331 L CB 0.465 42.623 42.059 0.166 0.000 1.158 331 L HN 0.352 nan 8.230 nan 0.000 0.473 332 K N 5.317 125.743 120.400 0.043 0.000 2.172 332 K HA 0.419 4.737 4.320 -0.003 0.000 0.276 332 K C -0.574 176.029 176.600 0.005 0.000 1.013 332 K CA -0.493 55.807 56.287 0.022 0.000 0.913 332 K CB 0.745 33.255 32.500 0.016 0.000 1.055 332 K HN 0.764 nan 8.250 nan 0.000 0.461 333 R N 2.581 123.079 120.500 -0.003 0.000 2.720 333 R HA 0.709 5.047 4.340 -0.003 0.000 0.272 333 R C -0.587 175.716 176.300 0.005 0.000 0.991 333 R CA -0.734 55.356 56.100 -0.016 0.000 1.010 333 R CB 0.545 30.822 30.300 -0.039 0.000 1.141 333 R HN 0.574 nan 8.270 nan 0.000 0.494 334 A N 0.973 123.801 122.820 0.013 0.000 2.310 334 A HA 0.132 4.450 4.320 -0.003 0.000 0.260 334 A C 0.018 177.622 177.584 0.035 0.000 1.112 334 A CA -0.403 51.647 52.037 0.023 0.000 0.804 334 A CB -0.073 18.941 19.000 0.023 0.000 1.081 334 A HN 0.779 nan 8.150 nan 0.000 0.499 335 E N 0.365 120.586 120.200 0.034 0.000 2.860 335 E HA 0.334 4.683 4.350 -0.003 0.000 0.318 335 E C 0.622 177.255 176.600 0.056 0.000 1.481 335 E CA 0.681 57.106 56.400 0.042 0.000 1.613 335 E CB -0.617 29.104 29.700 0.034 0.000 1.279 335 E HN 1.146 nan 8.360 nan 0.000 0.489 336 A N 1.471 124.337 122.820 0.076 0.000 3.080 336 A HA -0.146 4.172 4.320 -0.003 0.000 0.254 336 A C -1.276 176.353 177.584 0.075 0.000 1.277 336 A CA 0.397 52.491 52.037 0.096 0.000 1.065 336 A CB -1.960 17.094 19.000 0.090 0.000 1.160 336 A HN 0.459 nan 8.150 nan 0.000 0.886 337 P HA -0.005 nan 4.420 nan 0.000 0.231 337 P C 1.095 178.423 177.300 0.047 0.000 1.158 337 P CA 1.657 64.783 63.100 0.044 0.000 0.763 337 P CB -0.353 31.367 31.700 0.034 0.000 0.805 338 T N -1.635 112.966 114.554 0.079 0.000 2.813 338 T HA 0.120 4.468 4.350 -0.003 0.000 0.297 338 T C 0.785 175.510 174.700 0.043 0.000 1.036 338 T CA -0.827 61.327 62.100 0.091 0.000 1.044 338 T CB 0.424 69.420 68.868 0.213 0.000 0.993 338 T HN 0.037 nan 8.240 nan 0.000 0.535 339 N N 0.939 119.631 118.700 -0.014 0.000 2.332 339 N HA 0.028 4.766 4.740 -0.003 0.000 0.285 339 N C 1.036 176.460 175.510 -0.144 0.000 1.292 339 N CA -0.391 52.623 53.050 -0.060 0.000 0.947 339 N CB 0.071 38.522 38.487 -0.060 0.000 1.084 339 N HN 0.915 nan 8.380 nan 0.000 0.529 340 E N -0.146 119.953 120.200 -0.169 0.000 2.110 340 E HA -0.258 4.091 4.350 -0.003 0.000 0.225 340 E C 0.038 176.330 176.600 -0.514 0.000 1.063 340 E CA 1.698 57.944 56.400 -0.256 0.000 0.906 340 E CB -0.288 29.305 29.700 -0.179 0.000 0.795 340 E HN 0.566 nan 8.360 nan 0.000 0.479 341 S N -1.608 113.804 115.700 -0.481 0.000 2.608 341 S HA 0.507 4.976 4.470 -0.003 0.000 0.291 341 S C -1.174 173.028 174.600 -0.663 0.000 1.146 341 S CA -0.733 57.080 58.200 -0.646 0.000 1.043 341 S CB 0.593 63.568 63.200 -0.374 0.000 1.037 341 S HN 0.313 nan 8.310 nan 0.000 0.520 342 Y N 0.736 120.693 120.300 -0.572 0.000 2.581 342 Y HA 0.672 5.221 4.550 -0.002 0.000 0.337 342 Y C -0.719 174.582 175.900 -0.999 0.000 1.108 342 Y CA -1.466 56.253 58.100 -0.636 0.000 1.033 342 Y CB 0.708 38.857 38.460 -0.519 0.000 1.318 342 Y HN 0.590 nan 8.280 nan 0.000 0.459 343 Q N 1.692 121.231 119.800 -0.436 0.000 3.017 343 Q HA 0.856 5.195 4.340 -0.003 0.000 0.299 343 Q C -2.102 173.779 176.000 -0.198 0.000 1.046 343 Q CA -1.064 54.508 55.803 -0.384 0.000 0.821 343 Q CB 2.383 31.018 28.738 -0.172 0.000 1.481 343 Q HN 0.721 nan 8.270 nan 0.000 0.494 344 L N -0.814 120.401 121.223 -0.013 0.000 2.568 344 L HA 0.632 4.970 4.340 -0.003 0.000 0.257 344 L C -2.132 174.765 176.870 0.046 0.000 1.024 344 L CA -0.663 54.213 54.840 0.060 0.000 0.854 344 L CB 2.418 44.600 42.059 0.204 0.000 1.460 344 L HN 0.700 nan 8.230 nan 0.000 0.409 345 L N 2.223 123.474 121.223 0.047 0.000 2.329 345 L HA 0.588 4.927 4.340 -0.003 0.000 0.279 345 L C -1.231 175.697 176.870 0.096 0.000 1.014 345 L CA 0.003 54.870 54.840 0.045 0.000 0.814 345 L CB 1.539 43.600 42.059 0.003 0.000 1.257 345 L HN 0.462 nan 8.230 nan 0.000 0.424 346 F N 1.883 121.797 119.950 -0.060 0.000 2.553 346 F HA 0.505 5.032 4.527 -0.001 0.000 0.335 346 F C -0.445 175.325 175.800 -0.050 0.000 1.148 346 F CA -0.706 57.269 58.000 -0.041 0.000 0.963 346 F CB 1.347 40.325 39.000 -0.036 0.000 1.217 346 F HN 0.487 nan 8.300 nan 0.000 0.441 347 Q N 5.550 125.243 119.800 -0.178 0.000 2.289 347 Q HA 0.257 4.595 4.340 -0.003 0.000 0.273 347 Q C -0.070 175.940 176.000 0.017 0.000 1.029 347 Q CA 0.299 56.052 55.803 -0.084 0.000 0.896 347 Q CB 0.637 29.290 28.738 -0.141 0.000 1.182 347 Q HN 0.686 nan 8.270 nan 0.000 0.385 348 M N 2.545 122.191 119.600 0.078 0.000 2.250 348 M HA 0.022 4.500 4.480 -0.003 0.000 0.337 348 M C -0.496 175.910 176.300 0.176 0.000 1.161 348 M CA 0.223 55.609 55.300 0.143 0.000 1.088 348 M CB 0.407 33.086 32.600 0.131 0.000 1.639 348 M HN 0.404 nan 8.290 nan 0.000 0.447 349 L N 6.007 127.423 121.223 0.321 0.000 2.350 349 L HA 0.449 4.787 4.340 -0.003 0.000 0.275 349 L C -1.877 175.088 176.870 0.160 0.000 1.099 349 L CA -1.585 53.389 54.840 0.222 0.000 0.808 349 L CB 0.860 43.084 42.059 0.275 0.000 1.149 349 L HN 0.464 nan 8.230 nan 0.000 0.442 350 P HA 0.128 nan 4.420 nan 0.000 0.276 350 P C -0.383 176.935 177.300 0.031 0.000 1.235 350 P CA -0.032 63.099 63.100 0.051 0.000 0.772 350 P CB 0.518 32.235 31.700 0.028 0.000 0.871 351 N N 1.094 119.803 118.700 0.015 0.000 2.815 351 N HA -0.125 4.613 4.740 -0.003 0.000 0.249 351 N C 0.710 176.183 175.510 -0.062 0.000 1.114 351 N CA 0.595 53.632 53.050 -0.021 0.000 0.717 351 N CB -1.090 37.382 38.487 -0.025 0.000 1.074 351 N HN 0.583 nan 8.380 nan 0.000 0.555 352 Q N 0.219 119.979 119.800 -0.067 0.000 2.225 352 Q HA 0.068 4.407 4.340 -0.003 0.000 0.193 352 Q C 0.867 176.671 176.000 -0.328 0.000 0.990 352 Q CA 0.709 56.374 55.803 -0.229 0.000 0.841 352 Q CB 0.081 28.648 28.738 -0.284 0.000 0.941 352 Q HN 0.507 nan 8.270 nan 0.000 0.516 353 E N -0.087 119.949 120.200 -0.273 0.000 3.680 353 E HA -0.237 4.111 4.350 -0.003 0.000 0.309 353 E C -1.019 175.399 176.600 -0.303 0.000 0.793 353 E CA 0.838 57.127 56.400 -0.185 0.000 1.083 353 E CB -0.901 28.724 29.700 -0.126 0.000 1.548 353 E HN 0.350 nan 8.360 nan 0.000 0.456 354 I N -1.932 118.266 120.570 -0.620 0.000 2.610 354 I HA 0.474 4.642 4.170 -0.003 0.000 0.289 354 I C -1.092 174.622 176.117 -0.671 0.000 1.163 354 I CA -0.790 60.223 61.300 -0.478 0.000 1.044 354 I CB 1.219 39.050 38.000 -0.281 0.000 1.251 354 I HN -0.053 nan 8.210 nan 0.000 0.424 355 Y N 3.114 123.320 120.300 -0.156 0.000 2.361 355 Y HA 0.524 5.072 4.550 -0.003 0.000 0.337 355 Y C 0.039 175.624 175.900 -0.526 0.000 0.965 355 Y CA -0.788 57.056 58.100 -0.427 0.000 1.091 355 Y CB 1.978 39.838 38.460 -0.999 0.000 1.182 355 Y HN 0.667 nan 8.280 nan 0.000 0.450 356 N N 3.572 122.028 118.700 -0.407 0.000 2.918 356 N HA 0.272 5.010 4.740 -0.003 0.000 0.247 356 N C -1.372 173.906 175.510 -0.386 0.000 1.117 356 N CA -0.202 52.598 53.050 -0.416 0.000 1.005 356 N CB -0.137 37.962 38.487 -0.647 0.000 1.297 356 N HN 0.457 nan 8.380 nan 0.000 0.513 357 F N 0.785 120.651 119.950 -0.139 0.000 2.418 357 F HA 0.267 4.792 4.527 -0.003 0.000 0.341 357 F C 0.896 176.621 175.800 -0.126 0.000 1.120 357 F CA -0.129 57.776 58.000 -0.157 0.000 1.232 357 F CB 1.157 40.065 39.000 -0.153 0.000 1.175 357 F HN 0.112 nan 8.300 nan 0.000 0.569 358 T N 4.663 119.289 114.554 0.120 0.000 3.186 358 T HA 0.162 4.510 4.350 -0.003 0.000 0.320 358 T C -1.016 173.663 174.700 -0.035 0.000 0.955 358 T CA -0.538 61.569 62.100 0.013 0.000 1.030 358 T CB 0.888 69.745 68.868 -0.018 0.000 1.013 358 T HN 0.265 nan 8.240 nan 0.000 0.454 359 L N 4.349 125.507 121.223 -0.109 0.000 2.315 359 L HA 0.483 4.821 4.340 -0.003 0.000 0.283 359 L C -0.342 176.425 176.870 -0.172 0.000 1.089 359 L CA -0.023 54.678 54.840 -0.232 0.000 0.833 359 L CB -0.221 41.569 42.059 -0.447 0.000 1.170 359 L HN 0.574 nan 8.230 nan 0.000 0.442 360 N N 3.542 122.167 118.700 -0.126 0.000 2.487 360 N HA 0.682 5.420 4.740 -0.003 0.000 0.292 360 N C -0.642 174.841 175.510 -0.046 0.000 1.108 360 N CA -0.313 52.691 53.050 -0.076 0.000 0.956 360 N CB 1.775 40.215 38.487 -0.077 0.000 1.176 360 N HN 0.689 nan 8.380 nan 0.000 0.484 361 A N 1.043 123.843 122.820 -0.033 0.000 2.343 361 A HA 0.511 4.829 4.320 -0.003 0.000 0.308 361 A C -1.435 176.114 177.584 -0.058 0.000 1.092 361 A CA -0.438 51.542 52.037 -0.095 0.000 0.751 361 A CB 0.558 19.544 19.000 -0.024 0.000 1.203 361 A HN 0.811 nan 8.150 nan 0.000 0.452 362 H N 1.943 120.879 119.070 -0.223 0.000 2.621 362 H HA 0.770 5.324 4.556 -0.003 0.000 0.360 362 H C -0.668 174.562 175.328 -0.163 0.000 1.163 362 H CA -0.521 55.431 56.048 -0.159 0.000 1.194 362 H CB 1.330 31.008 29.762 -0.140 0.000 1.649 362 H HN 0.705 nan 8.280 nan 0.000 0.532 363 N N 3.154 121.375 118.700 -0.799 0.000 2.710 363 N HA 0.083 4.821 4.740 -0.003 0.000 0.257 363 N C -2.630 172.536 175.510 -0.574 0.000 1.140 363 N CA -1.349 51.400 53.050 -0.501 0.000 0.953 363 N CB 2.387 40.725 38.487 -0.249 0.000 1.664 363 N HN 0.389 nan 8.380 nan 0.000 0.497 364 P HA 0.040 nan 4.420 nan 0.000 0.236 364 P C 0.878 178.081 177.300 -0.162 0.000 1.172 364 P CA 0.661 63.620 63.100 -0.236 0.000 0.759 364 P CB 0.506 32.110 31.700 -0.160 0.000 0.843 365 L N -2.599 118.528 121.223 -0.158 0.000 2.653 365 L HA 0.424 4.762 4.340 -0.003 0.000 0.230 365 L C 1.314 178.135 176.870 -0.082 0.000 1.055 365 L CA 0.374 55.157 54.840 -0.096 0.000 0.880 365 L CB 0.122 42.141 42.059 -0.067 0.000 1.195 365 L HN 0.022 nan 8.230 nan 0.000 0.492 366 G N -0.591 108.143 108.800 -0.111 0.000 2.663 366 G HA2 0.584 4.543 3.960 -0.003 0.000 0.299 366 G HA3 0.584 4.543 3.960 -0.003 0.000 0.299 366 G C -1.641 173.214 174.900 -0.075 0.000 1.372 366 G CA -0.533 44.527 45.100 -0.067 0.000 0.781 366 G HN -0.192 nan 8.290 nan 0.000 0.491 367 R N -0.711 119.781 120.500 -0.013 0.000 2.725 367 R HA 0.736 5.074 4.340 -0.003 0.000 0.277 367 R C -0.759 175.546 176.300 0.008 0.000 0.987 367 R CA -0.545 55.562 56.100 0.011 0.000 0.901 367 R CB 2.305 32.642 30.300 0.062 0.000 1.207 367 R HN 0.881 nan 8.270 nan 0.000 0.463 368 S N 0.829 116.533 115.700 0.006 0.000 2.661 368 S HA 0.586 5.054 4.470 -0.003 0.000 0.285 368 S C -1.357 173.241 174.600 -0.002 0.000 1.138 368 S CA -0.902 57.303 58.200 0.009 0.000 0.855 368 S CB 2.486 65.701 63.200 0.025 0.000 1.136 368 S HN 0.624 nan 8.310 nan 0.000 0.484 369 Q N -0.283 119.512 119.800 -0.008 0.000 2.386 369 Q HA 0.707 5.046 4.340 -0.003 0.000 0.274 369 Q C -1.735 174.250 176.000 -0.026 0.000 1.011 369 Q CA -0.750 55.037 55.803 -0.027 0.000 0.867 369 Q CB 1.767 30.488 28.738 -0.028 0.000 1.409 369 Q HN 0.709 nan 8.270 nan 0.000 0.395 370 S N 1.505 117.177 115.700 -0.046 0.000 2.733 370 S HA 0.574 5.042 4.470 -0.003 0.000 0.294 370 S C -0.894 173.689 174.600 -0.029 0.000 1.149 370 S CA 0.013 58.194 58.200 -0.031 0.000 1.034 370 S CB 1.497 64.678 63.200 -0.032 0.000 1.015 370 S HN 0.761 nan 8.310 nan 0.000 0.486 371 T N 2.500 117.049 114.554 -0.008 0.000 2.895 371 T HA 0.802 5.150 4.350 -0.003 0.000 0.283 371 T C -0.645 174.072 174.700 0.028 0.000 1.014 371 T CA -0.683 61.420 62.100 0.006 0.000 1.037 371 T CB 1.269 70.131 68.868 -0.009 0.000 1.006 371 T HN 0.569 nan 8.240 nan 0.000 0.468 372 I N 2.979 123.585 120.570 0.061 0.000 2.571 372 I HA 0.478 4.646 4.170 -0.003 0.000 0.286 372 I C -1.163 175.001 176.117 0.079 0.000 1.134 372 I CA -1.055 60.290 61.300 0.074 0.000 1.052 372 I CB 1.788 39.843 38.000 0.093 0.000 1.237 372 I HN 0.950 nan 8.210 nan 0.000 0.435 373 L N 8.810 130.052 121.223 0.031 0.000 2.357 373 L HA 0.915 5.253 4.340 -0.003 0.000 0.273 373 L C -1.050 175.825 176.870 0.009 0.000 1.080 373 L CA -0.383 54.457 54.840 -0.001 0.000 0.803 373 L CB 1.230 43.294 42.059 0.008 0.000 1.174 373 L HN 0.557 nan 8.230 nan 0.000 0.443 374 V N 0.821 120.727 119.914 -0.014 0.000 3.147 374 V HA 0.496 4.615 4.120 -0.003 0.000 0.306 374 V C -1.069 174.998 176.094 -0.044 0.000 1.209 374 V CA -0.940 61.347 62.300 -0.022 0.000 1.023 374 V CB 1.952 33.784 31.823 0.015 0.000 1.059 374 V HN 0.843 nan 8.190 nan 0.000 0.435 375 N N 0.988 119.638 118.700 -0.082 0.000 2.816 375 N HA 0.427 5.165 4.740 -0.003 0.000 0.236 375 N C 0.794 176.239 175.510 -0.108 0.000 1.076 375 N CA -0.520 52.474 53.050 -0.093 0.000 0.902 375 N CB 1.027 39.460 38.487 -0.090 0.000 1.149 375 N HN 0.872 nan 8.380 nan 0.000 0.506 376 I N 2.142 122.710 120.570 -0.003 0.000 2.191 376 I HA -0.440 3.728 4.170 -0.003 0.000 0.248 376 I C 2.166 178.230 176.117 -0.088 0.000 1.061 376 I CA 2.105 63.420 61.300 0.025 0.000 1.329 376 I CB -0.354 37.784 38.000 0.229 0.000 1.024 376 I HN 0.625 nan 8.210 nan 0.000 0.423 377 T N -1.946 112.555 114.554 -0.087 0.000 2.708 377 T HA -0.195 4.153 4.350 -0.003 0.000 0.266 377 T C 1.661 176.232 174.700 -0.215 0.000 1.037 377 T CA 1.512 63.549 62.100 -0.104 0.000 1.146 377 T CB -0.823 68.008 68.868 -0.062 0.000 0.865 377 T HN 0.549 nan 8.240 nan 0.000 0.435 378 E N 1.177 121.192 120.200 -0.309 0.000 2.472 378 E HA -0.023 4.325 4.350 -0.003 0.000 0.200 378 E C 0.708 176.712 176.600 -0.993 0.000 1.046 378 E CA 0.475 56.520 56.400 -0.591 0.000 0.871 378 E CB 0.082 29.465 29.700 -0.529 0.000 0.806 378 E HN 0.369 nan 8.360 nan 0.000 0.533 379 K N 1.032 120.925 120.400 -0.846 0.000 2.896 379 K HA 0.188 4.506 4.320 -0.003 0.000 0.210 379 K C -0.441 175.825 176.600 -0.556 0.000 1.116 379 K CA -0.192 55.339 56.287 -1.259 0.000 1.050 379 K CB 1.026 33.017 32.500 -0.849 0.000 0.812 379 K HN -0.052 nan 8.250 nan 0.000 0.462 380 V N 1.207 120.967 119.914 -0.257 0.000 2.607 380 V HA 0.316 4.434 4.120 -0.003 0.000 0.289 380 V C -1.320 174.934 176.094 0.267 0.000 1.053 380 V CA -0.533 61.791 62.300 0.041 0.000 0.996 380 V CB 0.858 32.702 31.823 0.036 0.000 0.995 380 V HN 0.424 nan 8.190 nan 0.000 0.476 381 Y N 8.216 128.579 120.300 0.105 0.000 2.445 381 Y HA 0.661 5.209 4.550 -0.003 0.000 0.332 381 Y C -2.826 173.013 175.900 -0.101 0.000 1.037 381 Y CA -3.065 55.057 58.100 0.038 0.000 1.296 381 Y CB 1.874 40.365 38.460 0.053 0.000 1.099 381 Y HN 0.541 nan 8.280 nan 0.000 0.496 382 P HA 0.120 nan 4.420 nan 0.000 0.271 382 P C -0.672 176.228 177.300 -0.667 0.000 1.216 382 P CA 0.331 63.181 63.100 -0.417 0.000 0.776 382 P CB 0.540 32.066 31.700 -0.291 0.000 0.881 383 H N 0.804 119.563 119.070 -0.517 0.000 2.551 383 H HA 0.165 4.719 4.556 -0.003 0.000 0.358 383 H C 0.280 175.476 175.328 -0.219 0.000 1.151 383 H CA -0.607 55.213 56.048 -0.380 0.000 1.374 383 H CB 0.863 30.590 29.762 -0.059 0.000 1.473 383 H HN 0.285 nan 8.280 nan 0.000 0.574 384 T N 4.363 118.840 114.554 -0.127 0.000 2.933 384 T HA 0.018 4.367 4.350 -0.003 0.000 0.306 384 T C -2.176 172.399 174.700 -0.210 0.000 1.045 384 T CA -1.031 60.976 62.100 -0.154 0.000 1.143 384 T CB 0.302 69.123 68.868 -0.079 0.000 1.003 384 T HN 0.488 nan 8.240 nan 0.000 0.540 385 P HA 0.290 nan 4.420 nan 0.000 0.271 385 P C -0.709 176.586 177.300 -0.009 0.000 1.244 385 P CA -0.276 62.759 63.100 -0.107 0.000 0.793 385 P CB 0.523 32.155 31.700 -0.113 0.000 0.984 386 T N -0.816 113.776 114.554 0.064 0.000 2.894 386 T HA 0.396 4.744 4.350 -0.003 0.000 0.309 386 T C -1.073 173.778 174.700 0.251 0.000 1.208 386 T CA -0.408 61.760 62.100 0.113 0.000 1.016 386 T CB 0.015 68.871 68.868 -0.019 0.000 1.192 386 T HN 0.383 nan 8.240 nan 0.000 0.491 387 S N 1.947 117.772 115.700 0.209 0.000 3.386 387 S HA -0.119 4.349 4.470 -0.003 0.000 0.403 387 S C -0.453 174.294 174.600 0.245 0.000 0.893 387 S CA 1.068 59.374 58.200 0.177 0.000 1.336 387 S CB -2.141 61.160 63.200 0.168 0.000 0.925 387 S HN 1.027 nan 8.310 nan 0.000 0.589 388 F N -0.359 119.643 119.950 0.085 0.000 2.577 388 F HA 0.905 5.430 4.527 -0.003 0.000 0.318 388 F C -0.296 175.511 175.800 0.012 0.000 1.065 388 F CA -1.235 56.800 58.000 0.059 0.000 0.929 388 F CB 1.366 40.424 39.000 0.096 0.000 1.237 388 F HN 0.045 nan 8.300 nan 0.000 0.468 389 K N 1.123 121.532 120.400 0.015 0.000 2.208 389 K HA 0.794 5.113 4.320 -0.003 0.000 0.241 389 K C -1.740 174.853 176.600 -0.012 0.000 1.087 389 K CA -1.323 54.883 56.287 -0.136 0.000 0.883 389 K CB 2.372 34.799 32.500 -0.121 0.000 1.360 389 K HN 0.475 nan 8.250 nan 0.000 0.496 390 V N 1.807 121.644 119.914 -0.127 0.000 2.465 390 V HA 0.316 4.434 4.120 -0.003 0.000 0.263 390 V C -0.758 175.161 176.094 -0.292 0.000 0.981 390 V CA -0.658 61.575 62.300 -0.111 0.000 0.838 390 V CB 0.792 32.675 31.823 0.101 0.000 1.068 390 V HN 0.585 nan 8.190 nan 0.000 0.458 391 K N 2.658 122.934 120.400 -0.208 0.000 2.443 391 K HA 0.772 5.090 4.320 -0.003 0.000 0.251 391 K C -1.364 175.180 176.600 -0.094 0.000 0.972 391 K CA -0.397 55.782 56.287 -0.181 0.000 0.833 391 K CB 2.957 35.348 32.500 -0.181 0.000 1.317 391 K HN 0.743 nan 8.250 nan 0.000 0.441 392 D N 0.766 121.135 120.400 -0.053 0.000 3.057 392 D HA 0.294 4.933 4.640 -0.003 0.000 0.328 392 D C -0.294 175.995 176.300 -0.019 0.000 1.317 392 D CA -0.762 53.216 54.000 -0.037 0.000 0.973 392 D CB 0.325 41.111 40.800 -0.024 0.000 1.424 392 D HN 0.359 nan 8.370 nan 0.000 0.569 393 I N 0.599 121.160 120.570 -0.015 0.000 3.138 393 I HA 0.058 4.226 4.170 -0.003 0.000 0.288 393 I C 1.856 177.977 176.117 0.006 0.000 1.148 393 I CA -0.596 60.699 61.300 -0.007 0.000 1.315 393 I CB 0.062 38.056 38.000 -0.011 0.000 1.426 393 I HN 0.434 nan 8.210 nan 0.000 0.615 394 N N 1.082 119.787 118.700 0.008 0.000 2.103 394 N HA -0.207 4.531 4.740 -0.003 0.000 0.200 394 N C 0.944 176.465 175.510 0.019 0.000 1.016 394 N CA 1.832 54.891 53.050 0.015 0.000 0.890 394 N CB 0.030 38.522 38.487 0.009 0.000 1.075 394 N HN 0.663 nan 8.380 nan 0.000 0.506 395 S N -2.103 113.604 115.700 0.012 0.000 2.745 395 S HA 0.468 4.936 4.470 -0.003 0.000 0.292 395 S C 0.042 174.650 174.600 0.013 0.000 1.127 395 S CA 0.220 58.427 58.200 0.011 0.000 1.007 395 S CB 0.883 64.086 63.200 0.005 0.000 1.165 395 S HN 0.567 nan 8.310 nan 0.000 0.544 396 T N 0.572 115.132 114.554 0.011 0.000 11.211 396 T HA -0.187 4.161 4.350 -0.003 0.000 0.581 396 T C 0.537 175.245 174.700 0.015 0.000 1.288 396 T CA 0.600 62.705 62.100 0.008 0.000 3.104 396 T CB -1.764 67.105 68.868 0.001 0.000 2.594 396 T HN 1.360 nan 8.240 nan 0.000 0.303 397 A N 0.727 123.552 122.820 0.008 0.000 2.388 397 A HA 0.774 5.092 4.320 -0.003 0.000 0.280 397 A C 0.533 178.133 177.584 0.026 0.000 1.377 397 A CA 0.079 52.124 52.037 0.014 0.000 0.863 397 A CB 0.173 19.173 19.000 -0.000 0.000 1.416 397 A HN 1.916 nan 8.150 nan 0.000 0.517 398 V N -1.795 118.144 119.914 0.042 0.000 2.581 398 V HA 0.670 4.788 4.120 -0.003 0.000 0.303 398 V C -0.459 175.587 176.094 -0.079 0.000 1.041 398 V CA -0.851 61.458 62.300 0.014 0.000 0.907 398 V CB 1.299 33.175 31.823 0.089 0.000 0.994 398 V HN 0.861 nan 8.190 nan 0.000 0.442 399 K N 5.206 125.540 120.400 -0.109 0.000 2.292 399 K HA 0.629 4.948 4.320 -0.003 0.000 0.270 399 K C -0.852 175.607 176.600 -0.235 0.000 1.062 399 K CA -0.622 55.565 56.287 -0.166 0.000 0.916 399 K CB 1.180 33.608 32.500 -0.121 0.000 1.166 399 K HN 0.740 nan 8.250 nan 0.000 0.458 400 L N 1.881 122.881 121.223 -0.372 0.000 2.436 400 L HA 0.211 4.549 4.340 -0.003 0.000 0.265 400 L C -0.016 176.574 176.870 -0.468 0.000 1.168 400 L CA -0.382 54.182 54.840 -0.460 0.000 0.815 400 L CB 1.246 42.867 42.059 -0.731 0.000 1.109 400 L HN 0.707 nan 8.230 nan 0.000 0.462 401 S N 0.768 116.269 115.700 -0.332 0.000 2.775 401 S HA 0.416 4.884 4.470 -0.003 0.000 0.277 401 S C -1.325 173.271 174.600 -0.006 0.000 1.156 401 S CA -0.766 57.302 58.200 -0.221 0.000 1.081 401 S CB 0.714 63.866 63.200 -0.079 0.000 1.054 401 S HN 0.488 nan 8.310 nan 0.000 0.482 402 W N 1.589 122.886 121.300 -0.005 0.000 2.639 402 W HA 0.764 5.422 4.660 -0.003 0.000 0.347 402 W C -0.598 176.024 176.519 0.171 0.000 1.067 402 W CA -1.330 56.023 57.345 0.013 0.000 1.218 402 W CB -0.131 29.202 29.460 -0.213 0.000 1.393 402 W HN 0.586 nan 8.180 nan 0.000 0.557 403 H N 2.390 121.655 119.070 0.325 0.000 2.481 403 H HA 0.655 5.209 4.556 -0.003 0.000 0.333 403 H C -1.703 173.685 175.328 0.099 0.000 1.066 403 H CA -1.751 54.433 56.048 0.226 0.000 1.209 403 H CB 1.161 31.027 29.762 0.173 0.000 1.445 403 H HN 0.682 nan 8.280 nan 0.000 0.488 404 L N 8.458 129.827 121.223 0.244 0.000 2.441 404 L HA 0.436 4.774 4.340 -0.003 0.000 0.270 404 L C -2.561 174.384 176.870 0.125 0.000 0.973 404 L CA -1.790 53.029 54.840 -0.035 0.000 0.842 404 L CB 2.269 44.164 42.059 -0.273 0.000 1.239 404 L HN 0.578 nan 8.230 nan 0.000 0.406 405 P HA 0.523 nan 4.420 nan 0.000 0.274 405 P C -0.041 177.481 177.300 0.369 0.000 1.237 405 P CA 0.319 63.522 63.100 0.171 0.000 0.793 405 P CB 1.646 33.390 31.700 0.073 0.000 0.977 406 G N 0.915 109.916 108.800 0.335 0.000 2.306 406 G HA2 -0.036 3.922 3.960 -0.003 0.000 0.262 406 G HA3 -0.036 3.922 3.960 -0.003 0.000 0.262 406 G C -1.370 173.599 174.900 0.116 0.000 1.263 406 G CA -0.305 44.964 45.100 0.282 0.000 1.088 406 G HN 0.864 nan 8.290 nan 0.000 0.489 407 N N -0.479 118.008 118.700 -0.356 0.000 2.576 407 N HA 0.712 5.450 4.740 -0.003 0.000 0.269 407 N C -0.719 174.435 175.510 -0.592 0.000 1.058 407 N CA -0.687 52.190 53.050 -0.289 0.000 0.860 407 N CB 0.593 38.955 38.487 -0.208 0.000 1.249 407 N HN 0.480 nan 8.380 nan 0.000 0.525 408 F N 1.726 121.793 119.950 0.194 0.000 2.859 408 F HA 0.422 4.948 4.527 -0.002 0.000 0.324 408 F C 1.642 177.583 175.800 0.236 0.000 1.158 408 F CA -0.456 57.677 58.000 0.222 0.000 1.147 408 F CB 0.204 39.432 39.000 0.381 0.000 1.137 408 F HN 0.555 nan 8.300 nan 0.000 0.516 409 A N 0.330 123.325 122.820 0.292 0.000 2.194 409 A HA -0.173 4.146 4.320 -0.003 0.000 0.220 409 A C 2.133 179.824 177.584 0.177 0.000 1.162 409 A CA 1.564 53.731 52.037 0.216 0.000 0.674 409 A CB -0.407 18.669 19.000 0.126 0.000 0.789 409 A HN 0.398 nan 8.150 nan 0.000 0.470 410 K N -0.855 119.641 120.400 0.161 0.000 2.262 410 K HA 0.144 4.462 4.320 -0.003 0.000 0.200 410 K C 0.836 177.508 176.600 0.121 0.000 1.049 410 K CA 0.685 57.038 56.287 0.110 0.000 0.979 410 K CB 0.059 32.597 32.500 0.064 0.000 0.773 410 K HN 0.677 nan 8.250 nan 0.000 0.474 411 I N -1.691 118.979 120.570 0.166 0.000 3.264 411 I HA 0.404 4.573 4.170 -0.003 0.000 0.309 411 I C -1.007 175.212 176.117 0.171 0.000 1.099 411 I CA -0.875 60.492 61.300 0.112 0.000 0.989 411 I CB 1.099 39.111 38.000 0.021 0.000 1.250 411 I HN -0.172 nan 8.210 nan 0.000 0.478 412 N N 0.516 119.269 118.700 0.089 0.000 2.518 412 N HA 0.647 5.385 4.740 -0.003 0.000 0.284 412 N C -1.204 174.324 175.510 0.030 0.000 1.230 412 N CA -0.116 53.049 53.050 0.191 0.000 0.941 412 N CB 1.311 39.879 38.487 0.135 0.000 1.219 412 N HN 0.471 nan 8.380 nan 0.000 0.560 413 F N -0.305 119.615 119.950 -0.050 0.000 2.631 413 F HA 0.515 5.040 4.527 -0.003 0.000 0.328 413 F C 0.154 175.905 175.800 -0.081 0.000 1.067 413 F CA -0.822 57.105 58.000 -0.121 0.000 0.969 413 F CB 1.004 39.868 39.000 -0.227 0.000 1.332 413 F HN 0.121 nan 8.300 nan 0.000 0.490 414 L N 1.885 123.154 121.223 0.078 0.000 2.861 414 L HA 0.431 4.769 4.340 -0.003 0.000 0.290 414 L C -1.145 175.766 176.870 0.068 0.000 1.346 414 L CA -0.235 54.631 54.840 0.043 0.000 0.779 414 L CB -0.139 41.890 42.059 -0.050 0.000 1.143 414 L HN 0.608 nan 8.230 nan 0.000 0.548 415 c N 1.337 119.994 118.600 0.095 0.000 2.658 415 c HA 0.146 4.715 4.570 -0.003 0.000 0.376 415 c C 0.912 175.140 174.090 0.231 0.000 1.202 415 c CA -0.561 55.813 56.329 0.075 0.000 1.435 415 c CB -1.647 40.718 42.510 -0.242 0.000 2.076 415 c HN 0.498 nan 8.230 nan 0.000 0.569 416 E N 3.149 123.530 120.200 0.301 0.000 2.351 416 E HA 0.193 4.541 4.350 -0.003 0.000 0.266 416 E C 0.148 176.913 176.600 0.275 0.000 1.031 416 E CA 0.266 56.848 56.400 0.304 0.000 0.911 416 E CB 0.544 30.472 29.700 0.380 0.000 0.986 416 E HN 0.725 nan 8.360 nan 0.000 0.446 417 I N 0.820 121.528 120.570 0.230 0.000 2.315 417 I HA 0.276 4.444 4.170 -0.003 0.000 0.291 417 I C 0.048 176.264 176.117 0.164 0.000 1.006 417 I CA -0.795 60.623 61.300 0.197 0.000 1.265 417 I CB 0.920 39.004 38.000 0.141 0.000 1.387 417 I HN 0.365 nan 8.210 nan 0.000 0.475 418 E N 6.592 126.876 120.200 0.139 0.000 2.134 418 E HA 0.559 4.907 4.350 -0.003 0.000 0.278 418 E C -1.266 175.401 176.600 0.113 0.000 0.959 418 E CA -0.825 55.631 56.400 0.094 0.000 0.783 418 E CB 1.980 31.691 29.700 0.018 0.000 1.095 418 E HN 0.563 nan 8.360 nan 0.000 0.399 419 I N 3.259 123.887 120.570 0.098 0.000 2.321 419 I HA 0.204 4.373 4.170 -0.003 0.000 0.291 419 I C 0.000 176.145 176.117 0.046 0.000 0.998 419 I CA -0.371 60.955 61.300 0.043 0.000 1.227 419 I CB 1.355 39.367 38.000 0.020 0.000 1.368 419 I HN 0.521 nan 8.210 nan 0.000 0.466 420 K N 6.682 127.086 120.400 0.007 0.000 2.265 420 K HA 0.404 4.722 4.320 -0.003 0.000 0.267 420 K C -0.035 176.544 176.600 -0.036 0.000 0.994 420 K CA -0.675 55.605 56.287 -0.011 0.000 0.860 420 K CB 1.062 33.521 32.500 -0.067 0.000 1.099 420 K HN 0.516 nan 8.250 nan 0.000 0.448 421 K N 1.070 121.370 120.400 -0.167 0.000 2.462 421 K HA 0.088 4.406 4.320 -0.003 0.000 0.257 421 K C -0.284 176.039 176.600 -0.461 0.000 1.062 421 K CA -0.096 55.806 56.287 -0.642 0.000 0.923 421 K CB 0.418 32.630 32.500 -0.481 0.000 1.210 421 K HN 0.725 nan 8.250 nan 0.000 0.502 422 S N 2.240 117.652 115.700 -0.480 0.000 3.232 422 S HA 0.043 4.512 4.470 -0.003 0.000 0.298 422 S C -0.471 174.021 174.600 -0.181 0.000 1.159 422 S CA 0.032 58.064 58.200 -0.279 0.000 1.240 422 S CB -0.974 62.086 63.200 -0.233 0.000 1.584 422 S HN 0.701 nan 8.310 nan 0.000 0.558 423 N N 1.087 119.697 118.700 -0.149 0.000 2.696 423 N HA -0.196 4.543 4.740 -0.003 0.000 0.249 423 N C 0.406 175.864 175.510 -0.087 0.000 1.090 423 N CA 1.463 54.453 53.050 -0.101 0.000 0.716 423 N CB -1.615 36.824 38.487 -0.080 0.000 1.020 423 N HN 0.612 nan 8.380 nan 0.000 0.548 424 S N -2.148 113.492 115.700 -0.100 0.000 3.829 424 S HA 0.367 4.836 4.470 -0.003 0.000 0.201 424 S C 0.423 174.987 174.600 -0.060 0.000 1.005 424 S CA 0.193 58.348 58.200 -0.076 0.000 0.935 424 S CB 0.457 63.609 63.200 -0.080 0.000 1.181 424 S HN 0.245 nan 8.310 nan 0.000 0.622 425 V N 1.030 120.904 119.914 -0.067 0.000 2.975 425 V HA 0.788 4.906 4.120 -0.003 0.000 0.318 425 V C -0.826 175.255 176.094 -0.021 0.000 1.077 425 V CA -0.571 61.709 62.300 -0.033 0.000 1.000 425 V CB 1.572 33.386 31.823 -0.015 0.000 1.066 425 V HN 0.508 nan 8.190 nan 0.000 0.452 426 Q N 1.059 120.861 119.800 0.004 0.000 3.550 426 Q HA 0.301 4.640 4.340 -0.003 0.000 0.206 426 Q C -0.518 175.503 176.000 0.035 0.000 0.891 426 Q CA -0.418 55.395 55.803 0.018 0.000 0.737 426 Q CB 1.233 29.968 28.738 -0.005 0.000 1.417 426 Q HN 1.060 nan 8.270 nan 0.000 0.460 427 E N 1.191 121.422 120.200 0.052 0.000 2.435 427 E HA 0.248 4.596 4.350 -0.003 0.000 0.254 427 E C -0.845 175.793 176.600 0.064 0.000 1.289 427 E CA -0.077 56.356 56.400 0.055 0.000 0.983 427 E CB 0.523 30.259 29.700 0.059 0.000 1.010 427 E HN 0.354 nan 8.360 nan 0.000 0.509 428 Q N -0.521 119.321 119.800 0.069 0.000 2.347 428 Q HA 0.557 4.895 4.340 -0.003 0.000 0.271 428 Q C -1.019 175.034 176.000 0.088 0.000 1.064 428 Q CA -0.746 55.108 55.803 0.085 0.000 0.800 428 Q CB 2.271 31.062 28.738 0.088 0.000 1.304 428 Q HN 0.650 nan 8.270 nan 0.000 0.438 429 R N 0.612 121.174 120.500 0.102 0.000 2.643 429 R HA 0.708 5.047 4.340 -0.003 0.000 0.269 429 R C -1.447 174.923 176.300 0.118 0.000 1.037 429 R CA -0.907 55.251 56.100 0.097 0.000 0.894 429 R CB 1.429 31.775 30.300 0.076 0.000 1.238 429 R HN 0.728 nan 8.270 nan 0.000 0.459 430 N N 1.235 120.002 118.700 0.112 0.000 2.371 430 N HA 0.336 5.074 4.740 -0.003 0.000 0.291 430 N C -1.330 174.244 175.510 0.107 0.000 1.053 430 N CA -0.704 52.425 53.050 0.132 0.000 0.870 430 N CB 2.584 41.160 38.487 0.149 0.000 1.503 430 N HN 0.320 nan 8.380 nan 0.000 0.485 431 V N 0.802 120.785 119.914 0.115 0.000 2.495 431 V HA 0.417 4.535 4.120 -0.003 0.000 0.298 431 V C 0.545 176.714 176.094 0.124 0.000 1.031 431 V CA -0.684 61.671 62.300 0.092 0.000 0.871 431 V CB 1.541 33.392 31.823 0.047 0.000 0.988 431 V HN 0.820 nan 8.190 nan 0.000 0.432 432 T N 6.481 121.099 114.554 0.106 0.000 2.780 432 T HA 0.573 4.921 4.350 -0.003 0.000 0.294 432 T C -0.483 174.294 174.700 0.129 0.000 0.949 432 T CA -0.422 61.752 62.100 0.124 0.000 1.074 432 T CB 0.031 68.961 68.868 0.103 0.000 0.910 432 T HN 0.620 nan 8.240 nan 0.000 0.501 433 I N 2.790 123.454 120.570 0.157 0.000 2.608 433 I HA 0.538 4.706 4.170 -0.003 0.000 0.295 433 I C -0.235 176.009 176.117 0.212 0.000 1.049 433 I CA -1.152 60.244 61.300 0.159 0.000 1.063 433 I CB 1.616 39.717 38.000 0.168 0.000 1.248 433 I HN 0.600 nan 8.210 nan 0.000 0.424 434 Q N 2.420 122.352 119.800 0.220 0.000 2.407 434 Q HA 0.424 4.762 4.340 -0.003 0.000 0.214 434 Q C 0.060 176.281 176.000 0.369 0.000 1.043 434 Q CA -0.119 55.843 55.803 0.266 0.000 0.983 434 Q CB 1.455 30.304 28.738 0.185 0.000 1.211 434 Q HN 1.004 nan 8.270 nan 0.000 0.564 435 G N 0.299 109.352 108.800 0.421 0.000 2.370 435 G HA2 0.407 4.365 3.960 -0.003 0.000 0.272 435 G HA3 0.407 4.365 3.960 -0.003 0.000 0.272 435 G C 0.070 175.145 174.900 0.292 0.000 1.208 435 G CA -0.135 45.276 45.100 0.518 0.000 0.856 435 G HN 0.451 nan 8.290 nan 0.000 0.500 436 V N 0.403 120.404 119.914 0.146 0.000 3.815 436 V HA 0.755 4.874 4.120 -0.003 0.000 0.284 436 V C 0.520 176.593 176.094 -0.036 0.000 1.266 436 V CA -0.823 61.412 62.300 -0.108 0.000 0.923 436 V CB 0.966 32.495 31.823 -0.489 0.000 1.267 436 V HN 0.589 nan 8.190 nan 0.000 0.461 437 E N 0.679 120.824 120.200 -0.092 0.000 2.385 437 E HA 0.202 4.550 4.350 -0.003 0.000 0.254 437 E C 0.196 176.800 176.600 0.006 0.000 1.228 437 E CA -0.438 55.949 56.400 -0.022 0.000 0.956 437 E CB 0.183 29.862 29.700 -0.035 0.000 1.116 437 E HN 0.722 nan 8.360 nan 0.000 0.507 438 N N 1.339 120.074 118.700 0.058 0.000 2.670 438 N HA -0.012 4.726 4.740 -0.003 0.000 0.296 438 N C -1.409 174.155 175.510 0.091 0.000 1.216 438 N CA 0.350 53.473 53.050 0.121 0.000 1.123 438 N CB -0.916 37.639 38.487 0.112 0.000 1.459 438 N HN 0.436 nan 8.380 nan 0.000 0.509 439 S N -0.486 115.242 115.700 0.047 0.000 2.724 439 S HA 0.418 4.886 4.470 -0.003 0.000 0.278 439 S C -0.149 174.387 174.600 -0.107 0.000 1.190 439 S CA -0.868 57.272 58.200 -0.099 0.000 0.860 439 S CB 0.664 63.769 63.200 -0.157 0.000 1.206 439 S HN 0.139 nan 8.310 nan 0.000 0.507 440 S N -0.222 115.353 115.700 -0.209 0.000 2.625 440 S HA 0.669 5.137 4.470 -0.003 0.000 0.258 440 S C -1.152 173.410 174.600 -0.062 0.000 1.256 440 S CA -0.073 58.154 58.200 0.046 0.000 0.983 440 S CB -0.254 62.948 63.200 0.003 0.000 1.032 440 S HN 0.565 nan 8.310 nan 0.000 0.572 441 Y N -1.150 119.238 120.300 0.146 0.000 2.669 441 Y HA 0.643 5.191 4.550 -0.003 0.000 0.335 441 Y C -1.197 174.690 175.900 -0.022 0.000 1.116 441 Y CA -1.145 57.026 58.100 0.118 0.000 1.081 441 Y CB 0.845 39.478 38.460 0.289 0.000 1.297 441 Y HN 0.237 nan 8.280 nan 0.000 0.484 442 L N 1.844 123.128 121.223 0.102 0.000 2.457 442 L HA 0.642 4.980 4.340 -0.003 0.000 0.266 442 L C -0.144 176.662 176.870 -0.107 0.000 0.979 442 L CA -0.534 54.266 54.840 -0.067 0.000 0.857 442 L CB 1.030 43.061 42.059 -0.046 0.000 1.213 442 L HN 0.485 nan 8.230 nan 0.000 0.418 443 V N -0.223 119.523 119.914 -0.279 0.000 3.842 443 V HA 1.094 5.212 4.120 -0.003 0.000 0.281 443 V C 0.141 176.111 176.094 -0.207 0.000 1.228 443 V CA -0.422 61.719 62.300 -0.266 0.000 0.897 443 V CB 1.541 33.065 31.823 -0.499 0.000 1.257 443 V HN 0.940 nan 8.190 nan 0.000 0.451 444 A N -0.608 122.100 122.820 -0.188 0.000 2.582 444 A HA 0.748 5.066 4.320 -0.003 0.000 0.297 444 A C -1.146 176.377 177.584 -0.103 0.000 1.059 444 A CA -0.587 51.372 52.037 -0.130 0.000 0.705 444 A CB 0.893 19.848 19.000 -0.075 0.000 1.279 444 A HN 0.878 nan 8.150 nan 0.000 0.404 445 L N 0.512 121.687 121.223 -0.080 0.000 2.664 445 L HA 0.774 5.113 4.340 -0.003 0.000 0.253 445 L C -0.363 176.494 176.870 -0.021 0.000 1.293 445 L CA -0.765 54.052 54.840 -0.039 0.000 1.280 445 L CB 1.028 43.078 42.059 -0.015 0.000 1.993 445 L HN 0.812 nan 8.230 nan 0.000 0.577 446 D N 0.006 120.400 120.400 -0.010 0.000 2.726 446 D HA 0.064 4.702 4.640 -0.003 0.000 0.203 446 D C -1.422 174.873 176.300 -0.008 0.000 1.297 446 D CA -0.381 53.615 54.000 -0.007 0.000 0.863 446 D CB 1.172 41.971 40.800 -0.001 0.000 1.669 446 D HN 0.353 nan 8.370 nan 0.000 0.561 447 K N 2.716 123.111 120.400 -0.009 0.000 4.856 447 K HA -0.146 4.172 4.320 -0.003 0.000 0.306 447 K C -0.640 175.944 176.600 -0.025 0.000 0.895 447 K CA 0.371 56.652 56.287 -0.009 0.000 0.963 447 K CB -0.935 31.564 32.500 -0.001 0.000 1.737 447 K HN 0.473 nan 8.250 nan 0.000 0.424 448 L N 1.537 122.733 121.223 -0.044 0.000 2.334 448 L HA 0.283 4.621 4.340 -0.003 0.000 0.272 448 L C 0.583 177.408 176.870 -0.074 0.000 1.020 448 L CA -0.595 54.175 54.840 -0.116 0.000 0.812 448 L CB 1.478 43.428 42.059 -0.181 0.000 1.264 448 L HN 0.281 nan 8.230 nan 0.000 0.439 449 N N 3.024 121.680 118.700 -0.074 0.000 2.427 449 N HA 0.156 4.894 4.740 -0.003 0.000 0.269 449 N C -2.439 173.148 175.510 0.128 0.000 1.235 449 N CA -0.914 52.195 53.050 0.099 0.000 0.934 449 N CB -0.145 38.539 38.487 0.328 0.000 1.121 449 N HN 0.250 nan 8.380 nan 0.000 0.480 450 P HA -0.066 nan 4.420 nan 0.000 0.260 450 P C -0.017 177.448 177.300 0.276 0.000 1.185 450 P CA 0.520 63.704 63.100 0.140 0.000 0.763 450 P CB 0.058 31.782 31.700 0.040 0.000 0.776 451 Y N 1.349 121.700 120.300 0.085 0.000 2.887 451 Y HA -0.463 4.085 4.550 -0.003 0.000 0.467 451 Y C 1.519 177.522 175.900 0.171 0.000 1.191 451 Y CA 1.200 59.352 58.100 0.086 0.000 2.539 451 Y CB -1.890 36.591 38.460 0.035 0.000 1.225 451 Y HN 0.392 nan 8.280 nan 0.000 0.630 452 T N -0.256 114.467 114.554 0.281 0.000 4.576 452 T HA -0.177 4.171 4.350 -0.003 0.000 0.316 452 T C -0.262 174.377 174.700 -0.102 0.000 0.916 452 T CA 0.531 62.682 62.100 0.086 0.000 2.105 452 T CB -2.061 66.880 68.868 0.122 0.000 1.902 452 T HN 0.881 nan 8.240 nan 0.000 0.973 453 L N -2.134 119.057 121.223 -0.053 0.000 3.762 453 L HA -0.237 4.101 4.340 -0.003 0.000 0.460 453 L C 0.419 177.175 176.870 -0.190 0.000 1.255 453 L CA 0.461 55.224 54.840 -0.130 0.000 0.783 453 L CB -1.583 40.398 42.059 -0.129 0.000 1.600 453 L HN 0.429 nan 8.230 nan 0.000 0.862 454 Y N 0.222 120.437 120.300 -0.142 0.000 2.326 454 Y HA 0.616 5.164 4.550 -0.003 0.000 0.324 454 Y C 1.183 176.936 175.900 -0.245 0.000 1.291 454 Y CA 0.316 58.294 58.100 -0.204 0.000 1.348 454 Y CB 1.592 39.903 38.460 -0.249 0.000 1.294 454 Y HN 0.289 nan 8.280 nan 0.000 0.525 455 T N -0.946 113.556 114.554 -0.087 0.000 2.900 455 T HA 0.666 5.014 4.350 -0.003 0.000 0.303 455 T C -1.299 173.251 174.700 -0.249 0.000 1.142 455 T CA -0.881 61.141 62.100 -0.130 0.000 1.007 455 T CB 1.421 70.247 68.868 -0.070 0.000 1.156 455 T HN 0.221 nan 8.240 nan 0.000 0.490 456 F N 0.356 120.352 119.950 0.077 0.000 2.598 456 F HA 0.944 5.470 4.527 -0.003 0.000 0.327 456 F C 0.299 176.121 175.800 0.036 0.000 1.057 456 F CA -0.996 57.049 58.000 0.075 0.000 0.957 456 F CB 2.323 41.412 39.000 0.149 0.000 1.278 456 F HN 0.710 nan 8.300 nan 0.000 0.484 457 R N 1.512 122.162 120.500 0.249 0.000 2.644 457 R HA 0.671 5.010 4.340 -0.003 0.000 0.257 457 R C -2.077 174.227 176.300 0.006 0.000 1.082 457 R CA -0.589 55.514 56.100 0.005 0.000 0.927 457 R CB 1.380 31.475 30.300 -0.342 0.000 1.258 457 R HN 0.636 nan 8.270 nan 0.000 0.459 458 I N -0.090 120.498 120.570 0.030 0.000 2.769 458 I HA 0.771 4.939 4.170 -0.003 0.000 0.298 458 I C -1.098 175.196 176.117 0.295 0.000 1.128 458 I CA -1.051 60.341 61.300 0.152 0.000 1.031 458 I CB 2.557 40.651 38.000 0.157 0.000 1.235 458 I HN 0.681 nan 8.210 nan 0.000 0.423 459 R N 3.759 124.439 120.500 0.300 0.000 2.535 459 R HA 0.691 5.029 4.340 -0.003 0.000 0.274 459 R C -1.665 174.761 176.300 0.209 0.000 1.090 459 R CA -0.594 55.694 56.100 0.313 0.000 0.930 459 R CB 1.109 31.678 30.300 0.448 0.000 1.223 459 R HN 0.753 nan 8.270 nan 0.000 0.441 460 c N 0.630 119.279 118.600 0.082 0.000 2.551 460 c HA 0.869 5.438 4.570 -0.003 0.000 0.377 460 c C 0.431 174.546 174.090 0.040 0.000 1.622 460 c CA 0.033 56.353 56.329 -0.015 0.000 1.980 460 c CB 1.692 44.086 42.510 -0.193 0.000 1.946 460 c HN 0.930 nan 8.230 nan 0.000 0.525 461 S N -1.512 114.132 115.700 -0.093 0.000 2.655 461 S HA 0.615 5.083 4.470 -0.003 0.000 0.266 461 S C -1.356 173.053 174.600 -0.320 0.000 1.149 461 S CA -0.321 57.707 58.200 -0.285 0.000 0.818 461 S CB 1.244 64.160 63.200 -0.472 0.000 1.130 461 S HN 0.803 nan 8.310 nan 0.000 0.476 462 T N 1.490 115.832 114.554 -0.354 0.000 2.906 462 T HA 0.398 4.746 4.350 -0.003 0.000 0.295 462 T C 0.724 175.281 174.700 -0.237 0.000 1.075 462 T CA -0.511 61.332 62.100 -0.429 0.000 1.005 462 T CB 1.643 70.291 68.868 -0.367 0.000 1.136 462 T HN 0.696 nan 8.240 nan 0.000 0.498 463 E N 1.723 121.799 120.200 -0.206 0.000 2.086 463 E HA -0.133 4.215 4.350 -0.003 0.000 0.200 463 E C 1.057 177.646 176.600 -0.018 0.000 1.012 463 E CA 1.773 58.128 56.400 -0.076 0.000 0.812 463 E CB -0.422 29.249 29.700 -0.048 0.000 0.743 463 E HN 0.795 nan 8.360 nan 0.000 0.453 464 T N -1.160 113.375 114.554 -0.031 0.000 2.860 464 T HA 0.207 4.555 4.350 -0.003 0.000 0.299 464 T C 0.268 175.018 174.700 0.084 0.000 1.045 464 T CA -0.345 61.780 62.100 0.043 0.000 1.071 464 T CB 0.420 69.251 68.868 -0.062 0.000 0.985 464 T HN 0.197 nan 8.240 nan 0.000 0.537 465 F N 0.889 120.853 119.950 0.023 0.000 2.371 465 F HA 0.750 5.275 4.527 -0.002 0.000 0.363 465 F C -0.325 175.667 175.800 0.319 0.000 1.122 465 F CA -2.042 56.004 58.000 0.076 0.000 1.129 465 F CB 0.020 39.068 39.000 0.081 0.000 1.173 465 F HN 0.720 nan 8.300 nan 0.000 0.489 466 W N 2.693 123.878 121.300 -0.192 0.000 2.727 466 W HA 0.253 4.911 4.660 -0.003 0.000 0.445 466 W C -0.956 175.484 176.519 -0.132 0.000 1.002 466 W CA -1.113 56.121 57.345 -0.186 0.000 1.253 466 W CB 1.144 30.471 29.460 -0.221 0.000 1.435 466 W HN 0.341 nan 8.180 nan 0.000 0.623 467 K N 1.605 121.908 120.400 -0.162 0.000 2.489 467 K HA 0.039 4.357 4.320 -0.003 0.000 0.278 467 K C -0.188 176.481 176.600 0.114 0.000 1.000 467 K CA 0.537 56.803 56.287 -0.036 0.000 1.012 467 K CB 0.084 32.560 32.500 -0.038 0.000 0.903 467 K HN 0.203 nan 8.250 nan 0.000 0.485 468 W N 1.530 122.827 121.300 -0.006 0.000 1.711 468 W HA 0.312 4.970 4.660 -0.003 0.000 0.463 468 W C 0.840 177.368 176.519 0.015 0.000 2.053 468 W CA -0.327 57.011 57.345 -0.011 0.000 2.290 468 W CB -0.357 29.071 29.460 -0.052 0.000 1.607 468 W HN 0.486 nan 8.180 nan 0.000 0.789 469 S N -0.997 114.856 115.700 0.255 0.000 2.677 469 S HA 0.472 4.940 4.470 -0.003 0.000 0.304 469 S C -0.836 173.792 174.600 0.047 0.000 1.108 469 S CA -0.925 57.333 58.200 0.096 0.000 0.944 469 S CB 0.668 63.855 63.200 -0.021 0.000 1.127 469 S HN 0.243 nan 8.310 nan 0.000 0.511 470 K N 1.661 122.090 120.400 0.048 0.000 2.368 470 K HA 0.105 4.423 4.320 -0.003 0.000 0.282 470 K C -0.411 176.257 176.600 0.115 0.000 1.035 470 K CA -0.227 56.081 56.287 0.035 0.000 0.973 470 K CB 0.282 32.837 32.500 0.091 0.000 0.957 470 K HN 0.457 nan 8.250 nan 0.000 0.474 471 W N 1.463 122.786 121.300 0.039 0.000 2.253 471 W HA -0.044 4.614 4.660 -0.003 0.000 0.348 471 W C 0.563 177.121 176.519 0.064 0.000 1.267 471 W CA -0.260 57.112 57.345 0.046 0.000 1.298 471 W CB -0.104 29.386 29.460 0.049 0.000 1.181 471 W HN 0.505 nan 8.180 nan 0.000 0.585 472 S N 1.648 117.548 115.700 0.333 0.000 2.738 472 S HA 0.241 4.709 4.470 -0.003 0.000 0.284 472 S C -0.043 174.742 174.600 0.309 0.000 1.146 472 S CA -0.995 57.378 58.200 0.289 0.000 0.997 472 S CB 0.540 63.927 63.200 0.312 0.000 1.081 472 S HN 0.271 nan 8.310 nan 0.000 0.553 473 N N 3.248 122.126 118.700 0.297 0.000 2.386 473 N HA -0.020 4.719 4.740 -0.003 0.000 0.273 473 N C -0.116 175.520 175.510 0.210 0.000 1.331 473 N CA 0.297 53.457 53.050 0.183 0.000 0.891 473 N CB -0.134 38.392 38.487 0.065 0.000 1.139 473 N HN 0.545 nan 8.380 nan 0.000 0.487 474 K N 1.545 122.032 120.400 0.145 0.000 2.436 474 K HA 0.102 4.421 4.320 -0.003 0.000 0.282 474 K C -0.192 176.468 176.600 0.101 0.000 1.044 474 K CA 0.019 56.387 56.287 0.136 0.000 1.028 474 K CB 0.715 33.241 32.500 0.043 0.000 0.919 474 K HN 0.173 nan 8.250 nan 0.000 0.474 475 K N 2.884 123.396 120.400 0.187 0.000 2.267 475 K HA 0.114 4.432 4.320 -0.003 0.000 0.246 475 K C -0.158 176.557 176.600 0.191 0.000 0.954 475 K CA -0.647 55.708 56.287 0.113 0.000 0.824 475 K CB 1.949 34.437 32.500 -0.020 0.000 1.167 475 K HN 0.854 nan 8.250 nan 0.000 0.431 476 Q N 0.061 119.931 119.800 0.117 0.000 2.248 476 Q HA 0.125 4.463 4.340 -0.003 0.000 0.324 476 Q C -0.464 175.573 176.000 0.062 0.000 0.867 476 Q CA -0.488 55.359 55.803 0.074 0.000 1.101 476 Q CB 0.215 28.947 28.738 -0.010 0.000 1.328 476 Q HN 0.444 nan 8.270 nan 0.000 0.408 477 H N 2.348 121.451 119.070 0.056 0.000 3.232 477 H HA 0.183 4.737 4.556 -0.003 0.000 0.254 477 H C -0.831 174.509 175.328 0.020 0.000 1.213 477 H CA -0.075 55.983 56.048 0.018 0.000 1.503 477 H CB 0.236 30.018 29.762 0.033 0.000 1.563 477 H HN 0.476 nan 8.280 nan 0.000 0.490 478 L N 6.133 127.221 121.223 -0.225 0.000 2.369 478 L HA 0.074 4.413 4.340 -0.003 0.000 0.279 478 L C 1.096 177.939 176.870 -0.044 0.000 1.108 478 L CA -0.329 54.394 54.840 -0.195 0.000 0.852 478 L CB 0.492 42.151 42.059 -0.668 0.000 1.169 478 L HN 0.529 nan 8.230 nan 0.000 0.452 479 T N 1.006 115.726 114.554 0.277 0.000 2.748 479 T HA -0.039 4.309 4.350 -0.003 0.000 0.304 479 T C 0.727 175.732 174.700 0.508 0.000 1.041 479 T CA -0.445 61.863 62.100 0.346 0.000 1.033 479 T CB 0.601 69.633 68.868 0.273 0.000 0.995 479 T HN 0.677 nan 8.240 nan 0.000 0.536 480 T N 1.222 115.959 114.554 0.306 0.000 2.723 480 T HA -0.115 4.233 4.350 -0.003 0.000 0.260 480 T C 1.056 175.627 174.700 -0.215 0.000 1.019 480 T CA 0.659 62.780 62.100 0.035 0.000 1.155 480 T CB 0.009 68.884 68.868 0.011 0.000 1.024 480 T HN 0.786 nan 8.240 nan 0.000 0.491 481 E N 2.935 122.774 120.200 -0.601 0.000 2.421 481 E HA 0.273 4.622 4.350 -0.003 0.000 0.209 481 E C 0.138 176.552 176.600 -0.311 0.000 0.871 481 E CA 0.129 56.189 56.400 -0.568 0.000 1.064 481 E CB 0.614 29.661 29.700 -1.089 0.000 1.075 481 E HN 0.693 nan 8.360 nan 0.000 0.513 482 A N 1.468 124.124 122.820 -0.272 0.000 2.410 482 A HA 0.598 4.916 4.320 -0.003 0.000 0.289 482 A C -0.546 176.979 177.584 -0.098 0.000 1.200 482 A CA -0.159 51.787 52.037 -0.151 0.000 0.751 482 A CB 0.915 19.834 19.000 -0.134 0.000 1.161 482 A HN 0.200 nan 8.150 nan 0.000 0.459 483 S N 0.000 115.659 115.700 -0.069 0.000 2.498 483 S HA 0.000 4.468 4.470 -0.003 0.000 0.327 483 S CA 0.000 58.174 58.200 -0.044 0.000 1.107 483 S CB 0.000 63.178 63.200 -0.036 0.000 0.593 483 S HN 0.000 nan 8.310 nan 0.000 0.517