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 2p9s_1_A DATA FIRST_RESID 2 DATA SEQUENCE AGRLPACVVD CGTGYTKLGY AGNTEPQFII PSCIAIKEXX XXXXXXXXXV DATA SEQUENCE MKGVDDLDFF IGDEAIEKPT YATKWPIRHG IVEDWDLMER FMEQVIFKYL DATA SEQUENCE RAEPEDHYFL LTEPPLNTPE NREYTAEIMF ESFNVPGLYI AVQAVLALAA DATA SEQUENCE SWTSRXXGER TLTGTVIDSG DGVTHVIPVA EGYVIGSCIK HIPIAGRDIT DATA SEQUENCE YFIQQLLRDR EVGIPPEQSL ETAKAVKERY SYVCPDLVKE FNKYDTDGSK DATA SEQUENCE WIKQYTGINA ISKKEFSIDV GYERFLGPEI FFHPEFANPD FTQPISEVVD DATA SEQUENCE EVIQNCPIDV RRPLYKNIVL SGGSTMFRDF GRRLQRDLKR TVDARLKLSE DATA SEQUENCE ELSXXXXKPK PIDVQVITHH MQRYAVWFGG SMLASTPEFY QVCHTKKDYE DATA SEQUENCE EIGPSICRHN PVFG 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.299 177.584 -0.475 0.000 1.274 2 A CA 0.000 51.558 52.037 -0.798 0.000 0.836 2 A CB 0.000 18.861 19.000 -0.231 0.000 0.831 3 G N 0.476 108.990 108.800 -0.477 0.000 2.574 3 G HA2 0.445 4.405 3.960 -0.000 0.000 0.248 3 G HA3 0.445 4.405 3.960 -0.000 0.000 0.248 3 G C 0.929 175.743 174.900 -0.144 0.000 1.422 3 G CA 0.228 45.178 45.100 -0.250 0.000 1.051 3 G HN 1.008 nan 8.290 nan 0.000 0.560 4 R N -1.229 119.209 120.500 -0.103 0.000 2.073 4 R HA 0.036 4.376 4.340 -0.000 0.000 0.234 4 R C 0.519 176.786 176.300 -0.055 0.000 1.134 4 R CA 0.748 56.807 56.100 -0.070 0.000 0.952 4 R CB -0.526 29.738 30.300 -0.059 0.000 0.850 4 R HN 0.320 nan 8.270 nan 0.000 0.433 5 L N 3.192 124.373 121.223 -0.069 0.000 2.312 5 L HA 0.418 4.758 4.340 -0.000 0.000 0.281 5 L C -1.948 174.965 176.870 0.071 0.000 1.070 5 L CA -2.427 52.387 54.840 -0.042 0.000 0.805 5 L CB 1.308 43.227 42.059 -0.234 0.000 1.174 5 L HN 0.201 nan 8.230 nan 0.000 0.434 6 P HA 0.215 nan 4.420 nan 0.000 0.278 6 P C -0.612 176.932 177.300 0.407 0.000 1.238 6 P CA -0.453 62.796 63.100 0.249 0.000 0.794 6 P CB 1.259 33.080 31.700 0.200 0.000 0.955 7 A N 2.137 125.117 122.820 0.266 0.000 2.448 7 A HA 0.210 4.529 4.320 -0.000 0.000 0.239 7 A C 0.303 177.841 177.584 -0.077 0.000 1.080 7 A CA -0.217 51.914 52.037 0.156 0.000 0.779 7 A CB -0.350 18.681 19.000 0.053 0.000 1.026 7 A HN 0.678 nan 8.150 nan 0.000 0.499 8 C N 0.728 119.770 119.300 -0.431 0.000 2.388 8 C HA 0.576 5.036 4.460 -0.000 0.000 0.362 8 C C 0.155 174.905 174.990 -0.400 0.000 1.266 8 C CA -0.412 58.175 59.018 -0.719 0.000 2.028 8 C CB 0.207 27.101 27.740 -1.410 0.000 2.440 8 C HN 0.558 nan 8.230 nan 0.000 0.547 9 V N 4.106 123.872 119.914 -0.247 0.000 2.444 9 V HA 0.564 4.684 4.120 -0.000 0.000 0.294 9 V C -0.506 175.667 176.094 0.131 0.000 1.022 9 V CA -0.322 61.877 62.300 -0.168 0.000 0.850 9 V CB 1.648 33.130 31.823 -0.567 0.000 0.992 9 V HN 0.688 nan 8.190 nan 0.000 0.426 10 V N 3.440 123.438 119.914 0.139 0.000 2.482 10 V HA 0.446 4.566 4.120 -0.000 0.000 0.295 10 V C -0.941 175.281 176.094 0.214 0.000 1.026 10 V CA -0.486 61.953 62.300 0.233 0.000 0.856 10 V CB 2.052 33.996 31.823 0.202 0.000 1.001 10 V HN 0.917 nan 8.190 nan 0.000 0.424 11 D N 3.819 124.388 120.400 0.282 0.000 2.472 11 D HA 0.293 4.933 4.640 -0.000 0.000 0.234 11 D C -0.350 176.049 176.300 0.166 0.000 1.088 11 D CA -0.164 53.965 54.000 0.215 0.000 0.882 11 D CB 0.868 41.835 40.800 0.278 0.000 1.037 11 D HN 0.515 nan 8.370 nan 0.000 0.520 12 C N 3.827 123.196 119.300 0.114 0.000 2.442 12 C HA 0.753 5.213 4.460 -0.000 0.000 0.362 12 C C 1.163 176.173 174.990 0.033 0.000 1.242 12 C CA -0.480 58.570 59.018 0.052 0.000 1.741 12 C CB -0.367 27.359 27.740 -0.025 0.000 2.378 12 C HN 0.644 nan 8.230 nan 0.000 0.549 13 G N 2.757 111.591 108.800 0.057 0.000 2.601 13 G HA2 0.448 4.408 3.960 -0.000 0.000 0.317 13 G HA3 0.448 4.408 3.960 -0.000 0.000 0.317 13 G C 0.804 175.719 174.900 0.024 0.000 1.246 13 G CA -0.120 45.020 45.100 0.066 0.000 1.012 13 G HN 0.545 nan 8.290 nan 0.000 0.494 14 T N 0.018 114.590 114.554 0.031 0.000 2.708 14 T HA -0.062 4.288 4.350 -0.000 0.000 0.266 14 T C 2.268 176.957 174.700 -0.018 0.000 1.037 14 T CA 2.036 64.128 62.100 -0.013 0.000 1.146 14 T CB -0.328 68.524 68.868 -0.026 0.000 0.865 14 T HN 0.590 nan 8.240 nan 0.000 0.435 15 G N -1.103 107.683 108.800 -0.023 0.000 2.645 15 G HA2 0.249 4.209 3.960 -0.000 0.000 0.207 15 G HA3 0.249 4.209 3.960 -0.000 0.000 0.207 15 G C -0.164 174.548 174.900 -0.313 0.000 1.145 15 G CA -0.167 44.829 45.100 -0.173 0.000 0.831 15 G HN 0.441 nan 8.290 nan 0.000 0.563 16 Y N 0.200 120.578 120.300 0.129 0.000 2.462 16 Y HA 0.552 5.102 4.550 -0.000 0.000 0.346 16 Y C -0.301 175.652 175.900 0.088 0.000 0.976 16 Y CA -0.807 57.363 58.100 0.118 0.000 1.044 16 Y CB 2.302 40.826 38.460 0.106 0.000 1.230 16 Y HN -0.198 nan 8.280 nan 0.000 0.455 17 T N 3.889 118.592 114.554 0.247 0.000 2.749 17 T HA 0.399 4.749 4.350 -0.000 0.000 0.287 17 T C -0.641 174.120 174.700 0.102 0.000 0.970 17 T CA -0.925 61.286 62.100 0.185 0.000 0.980 17 T CB 0.251 69.289 68.868 0.284 0.000 0.924 17 T HN 0.286 nan 8.240 nan 0.000 0.456 18 K N 3.865 124.298 120.400 0.056 0.000 2.240 18 K HA 0.658 4.978 4.320 -0.000 0.000 0.271 18 K C -0.388 176.174 176.600 -0.064 0.000 1.018 18 K CA -0.549 55.642 56.287 -0.160 0.000 0.874 18 K CB 0.785 33.120 32.500 -0.274 0.000 1.098 18 K HN 0.537 nan 8.250 nan 0.000 0.458 19 L N -1.097 120.030 121.223 -0.160 0.000 2.371 19 L HA 1.005 5.345 4.340 -0.000 0.000 0.262 19 L C -0.017 176.869 176.870 0.026 0.000 1.006 19 L CA -0.817 54.067 54.840 0.073 0.000 0.818 19 L CB 2.384 44.474 42.059 0.052 0.000 1.354 19 L HN 0.629 nan 8.230 nan 0.000 0.415 20 G N -0.124 108.833 108.800 0.261 0.000 2.325 20 G HA2 0.352 4.312 3.960 -0.000 0.000 0.295 20 G HA3 0.352 4.312 3.960 -0.000 0.000 0.295 20 G C -2.399 172.590 174.900 0.149 0.000 1.274 20 G CA -0.701 44.546 45.100 0.246 0.000 0.857 20 G HN 0.534 nan 8.290 nan 0.000 0.499 21 Y N 0.694 121.172 120.300 0.297 0.000 2.420 21 Y HA 0.652 5.202 4.550 -0.000 0.000 0.334 21 Y C 1.007 176.953 175.900 0.076 0.000 1.094 21 Y CA 0.166 58.338 58.100 0.119 0.000 1.126 21 Y CB 1.956 40.456 38.460 0.066 0.000 1.217 21 Y HN 0.804 nan 8.280 nan 0.000 0.462 22 A N 1.326 124.174 122.820 0.047 0.000 2.498 22 A HA 0.423 4.743 4.320 -0.000 0.000 0.239 22 A C 1.337 178.904 177.584 -0.029 0.000 1.068 22 A CA 0.928 52.881 52.037 -0.140 0.000 0.766 22 A CB -0.856 18.000 19.000 -0.241 0.000 1.003 22 A HN 1.480 nan 8.150 nan 0.000 0.497 23 G N 1.661 110.407 108.800 -0.091 0.000 2.279 23 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.223 23 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.223 23 G C 0.279 175.216 174.900 0.063 0.000 1.015 23 G CA 0.120 45.209 45.100 -0.019 0.000 0.621 23 G HN 0.825 nan 8.290 nan 0.000 0.506 24 N N 0.747 119.542 118.700 0.159 0.000 2.525 24 N HA 0.385 5.125 4.740 -0.000 0.000 0.271 24 N C 1.017 176.750 175.510 0.373 0.000 1.194 24 N CA 0.734 53.937 53.050 0.255 0.000 0.964 24 N CB 1.160 39.837 38.487 0.318 0.000 1.126 24 N HN 0.137 nan 8.380 nan 0.000 0.452 25 T N 0.633 115.401 114.554 0.356 0.000 3.067 25 T HA 0.041 4.391 4.350 -0.000 0.000 0.261 25 T C 0.166 175.186 174.700 0.533 0.000 1.110 25 T CA 0.891 63.299 62.100 0.514 0.000 1.113 25 T CB 0.176 69.249 68.868 0.341 0.000 0.917 25 T HN 0.485 nan 8.240 nan 0.000 0.499 26 E N 0.484 120.869 120.200 0.308 0.000 2.367 26 E HA 0.341 4.691 4.350 -0.000 0.000 0.273 26 E C -2.883 173.403 176.600 -0.523 0.000 0.903 26 E CA -2.566 53.847 56.400 0.023 0.000 0.764 26 E CB 2.398 32.096 29.700 -0.004 0.000 1.252 26 E HN -0.057 nan 8.360 nan 0.000 0.446 27 P HA -0.016 nan 4.420 nan 0.000 0.266 27 P C -0.094 176.762 177.300 -0.740 0.000 1.195 27 P CA 0.153 62.301 63.100 -1.588 0.000 0.768 27 P CB 0.652 31.461 31.700 -1.484 0.000 0.838 28 Q N 0.892 120.392 119.800 -0.500 0.000 2.311 28 Q HA 0.178 4.518 4.340 -0.000 0.000 0.203 28 Q C -0.316 175.230 176.000 -0.756 0.000 0.954 28 Q CA 1.249 56.775 55.803 -0.463 0.000 0.885 28 Q CB -0.136 28.453 28.738 -0.249 0.000 0.963 28 Q HN 0.463 nan 8.270 nan 0.000 0.471 29 F N -0.977 118.801 119.950 -0.287 0.000 2.588 29 F HA 0.459 4.986 4.527 -0.000 0.000 0.314 29 F C -0.868 174.735 175.800 -0.330 0.000 1.134 29 F CA -0.970 56.882 58.000 -0.246 0.000 0.961 29 F CB 1.552 40.429 39.000 -0.204 0.000 1.239 29 F HN -0.314 nan 8.300 nan 0.000 0.448 30 I N 5.274 125.789 120.570 -0.091 0.000 2.448 30 I HA 0.482 4.652 4.170 -0.000 0.000 0.281 30 I C -0.733 175.406 176.117 0.037 0.000 1.027 30 I CA -0.397 60.822 61.300 -0.136 0.000 1.111 30 I CB 1.143 38.974 38.000 -0.282 0.000 1.236 30 I HN 0.469 nan 8.210 nan 0.000 0.452 31 I N 3.579 124.209 120.570 0.100 0.000 2.689 31 I HA 0.731 4.901 4.170 -0.000 0.000 0.299 31 I C -2.783 173.497 176.117 0.271 0.000 1.059 31 I CA -2.800 58.588 61.300 0.148 0.000 1.055 31 I CB 2.169 40.118 38.000 -0.085 0.000 1.243 31 I HN 0.149 nan 8.210 nan 0.000 0.425 32 P HA 0.038 nan 4.420 nan 0.000 0.262 32 P C -0.346 176.976 177.300 0.038 0.000 1.182 32 P CA 0.168 63.281 63.100 0.022 0.000 0.761 32 P CB 0.531 32.255 31.700 0.040 0.000 0.795 33 S N 2.049 117.771 115.700 0.037 0.000 3.870 33 S HA 0.134 4.604 4.470 -0.000 0.000 0.198 33 S C 0.521 174.939 174.600 -0.304 0.000 1.336 33 S CA -0.288 57.870 58.200 -0.069 0.000 1.049 33 S CB -1.375 61.777 63.200 -0.080 0.000 1.412 33 S HN 0.550 nan 8.310 nan 0.000 0.448 34 C N 0.187 119.263 119.300 -0.374 0.000 2.889 34 C HA 0.860 5.319 4.460 -0.000 0.000 0.307 34 C C -0.433 174.433 174.990 -0.207 0.000 1.251 34 C CA -1.379 57.200 59.018 -0.731 0.000 1.593 34 C CB 0.579 27.351 27.740 -1.613 0.000 2.104 34 C HN 0.574 nan 8.230 nan 0.000 0.476 35 I N 2.033 122.469 120.570 -0.224 0.000 2.512 35 I HA 0.658 4.828 4.170 -0.000 0.000 0.287 35 I C -0.154 175.936 176.117 -0.046 0.000 1.069 35 I CA -0.390 60.898 61.300 -0.019 0.000 1.056 35 I CB 1.637 39.631 38.000 -0.010 0.000 1.229 35 I HN 1.140 nan 8.210 nan 0.000 0.429 36 A N 8.508 131.370 122.820 0.070 0.000 2.290 36 A HA 0.791 5.111 4.320 -0.000 0.000 0.310 36 A C -0.461 177.295 177.584 0.287 0.000 1.202 36 A CA -0.521 51.597 52.037 0.135 0.000 0.837 36 A CB 0.580 19.656 19.000 0.127 0.000 1.139 36 A HN 0.775 nan 8.150 nan 0.000 0.509 37 I N -1.222 119.535 120.570 0.312 0.000 3.322 37 I HA 0.650 4.820 4.170 -0.000 0.000 0.313 37 I C -0.804 175.492 176.117 0.298 0.000 1.129 37 I CA -1.433 60.089 61.300 0.370 0.000 0.963 37 I CB 1.787 39.885 38.000 0.163 0.000 1.273 37 I HN 0.237 nan 8.210 nan 0.000 0.473 38 K N 2.016 122.516 120.400 0.167 0.000 2.205 38 K HA 0.521 4.841 4.320 -0.000 0.000 0.279 38 K C -0.606 175.999 176.600 0.009 0.000 1.027 38 K CA -0.067 56.212 56.287 -0.012 0.000 0.932 38 K CB 0.916 33.390 32.500 -0.043 0.000 1.032 38 K HN 0.908 nan 8.250 nan 0.000 0.466 52 M N 4.091 123.695 119.600 0.007 0.000 2.084 52 M HA 0.604 5.084 4.480 -0.000 0.000 0.351 52 M C 0.199 176.504 176.300 0.009 0.000 1.240 52 M CA -0.048 55.259 55.300 0.011 0.000 1.083 52 M CB 1.189 33.798 32.600 0.016 0.000 1.593 52 M HN 0.774 nan 8.290 nan 0.000 0.463 53 K N 2.168 122.574 120.400 0.009 0.000 2.238 53 K HA 0.892 5.212 4.320 -0.000 0.000 0.239 53 K C 0.638 177.243 176.600 0.008 0.000 0.987 53 K CA -0.097 56.194 56.287 0.006 0.000 0.857 53 K CB 0.889 33.392 32.500 0.004 0.000 1.154 53 K HN 0.921 nan 8.250 nan 0.000 0.439 54 G N -0.885 107.918 108.800 0.005 0.000 2.602 54 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.310 54 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.310 54 G C 0.721 175.625 174.900 0.006 0.000 1.183 54 G CA 2.227 47.330 45.100 0.004 0.000 0.979 54 G HN 2.146 nan 8.290 nan 0.000 0.545 55 V N -2.422 117.498 119.914 0.009 0.000 2.841 55 V HA 0.481 4.601 4.120 -0.000 0.000 0.363 55 V C 0.881 176.992 176.094 0.029 0.000 1.330 55 V CA 0.823 63.131 62.300 0.013 0.000 1.207 55 V CB 0.681 32.502 31.823 -0.003 0.000 1.318 55 V HN 0.475 nan 8.190 nan 0.000 0.603 56 D N 2.392 122.814 120.400 0.037 0.000 2.263 56 D HA -0.177 4.462 4.640 -0.000 0.000 0.208 56 D C 1.712 178.069 176.300 0.094 0.000 0.971 56 D CA 1.809 55.843 54.000 0.057 0.000 0.867 56 D CB 0.107 40.933 40.800 0.044 0.000 0.929 56 D HN 0.814 nan 8.370 nan 0.000 0.492 57 D N 0.941 121.394 120.400 0.089 0.000 2.178 57 D HA -0.148 4.492 4.640 -0.000 0.000 0.202 57 D C 2.152 178.607 176.300 0.259 0.000 0.974 57 D CA 0.378 54.454 54.000 0.127 0.000 0.841 57 D CB -0.561 40.289 40.800 0.082 0.000 0.953 57 D HN 0.288 nan 8.370 nan 0.000 0.478 58 L N 0.264 121.589 121.223 0.170 0.000 2.395 58 L HA 0.003 4.343 4.340 -0.000 0.000 0.218 58 L C 0.935 177.767 176.870 -0.063 0.000 1.130 58 L CA 0.199 55.094 54.840 0.092 0.000 0.826 58 L CB -0.288 41.746 42.059 -0.041 0.000 0.941 58 L HN -0.135 nan 8.230 nan 0.000 0.451 59 D N 1.220 121.661 120.400 0.068 0.000 2.498 59 D HA 0.167 4.806 4.640 -0.000 0.000 0.229 59 D C -0.482 175.933 176.300 0.192 0.000 1.188 59 D CA 0.093 54.126 54.000 0.054 0.000 1.028 59 D CB -0.324 40.572 40.800 0.160 0.000 1.087 59 D HN 0.092 nan 8.370 nan 0.000 0.510 60 F N 0.425 120.218 119.950 -0.262 0.000 2.779 60 F HA 0.687 5.214 4.527 -0.000 0.000 0.316 60 F C -1.904 173.459 175.800 -0.728 0.000 1.164 60 F CA -1.428 56.408 58.000 -0.273 0.000 0.924 60 F CB 0.888 39.839 39.000 -0.082 0.000 1.348 60 F HN -0.135 nan 8.300 nan 0.000 0.467 61 F N 1.560 121.572 119.950 0.103 0.000 2.626 61 F HA 0.804 5.331 4.527 -0.000 0.000 0.311 61 F C -0.309 175.562 175.800 0.119 0.000 1.088 61 F CA -0.964 57.017 58.000 -0.032 0.000 0.949 61 F CB 2.336 41.204 39.000 -0.219 0.000 1.322 61 F HN 0.769 nan 8.300 nan 0.000 0.461 62 I N -1.115 119.597 120.570 0.236 0.000 3.264 62 I HA 1.005 5.175 4.170 -0.000 0.000 0.315 62 I C 0.255 176.389 176.117 0.027 0.000 1.154 62 I CA -0.738 60.622 61.300 0.100 0.000 0.962 62 I CB 1.754 39.696 38.000 -0.097 0.000 1.265 62 I HN 0.911 nan 8.210 nan 0.000 0.463 63 G N 1.965 110.757 108.800 -0.014 0.000 2.601 63 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.261 63 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.261 63 G C 0.277 175.180 174.900 0.004 0.000 1.289 63 G CA 0.588 45.671 45.100 -0.029 0.000 0.920 63 G HN 0.904 nan 8.290 nan 0.000 0.571 64 D N 0.650 121.074 120.400 0.040 0.000 2.149 64 D HA -0.120 4.520 4.640 -0.000 0.000 0.194 64 D C 2.110 178.423 176.300 0.022 0.000 1.001 64 D CA 1.815 55.848 54.000 0.055 0.000 0.849 64 D CB -0.194 40.652 40.800 0.077 0.000 0.939 64 D HN 0.743 nan 8.370 nan 0.000 0.449 65 E N 0.213 120.430 120.200 0.027 0.000 2.455 65 E HA -0.074 4.276 4.350 -0.000 0.000 0.202 65 E C 1.402 177.947 176.600 -0.091 0.000 1.045 65 E CA 0.567 56.943 56.400 -0.040 0.000 0.872 65 E CB 0.060 29.778 29.700 0.031 0.000 0.792 65 E HN 0.235 nan 8.360 nan 0.000 0.542 66 A N -0.057 122.751 122.820 -0.020 0.000 2.469 66 A HA 0.218 4.537 4.320 -0.000 0.000 0.245 66 A C 1.701 179.259 177.584 -0.042 0.000 1.221 66 A CA -0.374 51.648 52.037 -0.024 0.000 0.946 66 A CB 0.228 19.242 19.000 0.024 0.000 1.049 66 A HN 0.094 nan 8.150 nan 0.000 0.529 67 I N -0.371 120.186 120.570 -0.023 0.000 2.439 67 I HA -0.124 4.046 4.170 -0.000 0.000 0.251 67 I C 2.028 178.179 176.117 0.056 0.000 1.139 67 I CA 1.149 62.465 61.300 0.026 0.000 1.438 67 I CB 0.218 38.267 38.000 0.081 0.000 1.085 67 I HN 0.273 nan 8.210 nan 0.000 0.427 68 E N -0.230 119.988 120.200 0.031 0.000 2.332 68 E HA 0.081 4.430 4.350 -0.000 0.000 0.202 68 E C 0.242 176.865 176.600 0.039 0.000 0.877 68 E CA -0.078 56.347 56.400 0.042 0.000 0.979 68 E CB 0.096 29.816 29.700 0.034 0.000 0.969 68 E HN 0.049 nan 8.360 nan 0.000 0.495 69 K N 2.159 122.557 120.400 -0.002 0.000 2.403 69 K HA -0.175 4.144 4.320 -0.000 0.000 0.244 69 K C -1.876 174.799 176.600 0.125 0.000 1.095 69 K CA 0.123 56.424 56.287 0.024 0.000 1.146 69 K CB -0.397 32.096 32.500 -0.012 0.000 0.784 69 K HN 0.010 nan 8.250 nan 0.000 0.504 70 P HA -0.187 nan 4.420 nan 0.000 0.216 70 P C 1.236 178.587 177.300 0.085 0.000 1.167 70 P CA 1.673 64.821 63.100 0.080 0.000 0.914 70 P CB 0.161 31.894 31.700 0.055 0.000 0.793 71 T N -3.280 111.338 114.554 0.106 0.000 3.144 71 T HA 0.093 4.443 4.350 -0.000 0.000 0.249 71 T C -0.245 174.354 174.700 -0.168 0.000 1.089 71 T CA -0.144 61.931 62.100 -0.041 0.000 0.989 71 T CB -0.597 68.197 68.868 -0.122 0.000 0.992 71 T HN -0.135 nan 8.240 nan 0.000 0.540 72 Y N 0.634 120.962 120.300 0.047 0.000 2.485 72 Y HA 0.694 5.244 4.550 -0.000 0.000 0.345 72 Y C 0.175 176.106 175.900 0.052 0.000 0.998 72 Y CA -1.646 56.496 58.100 0.070 0.000 1.059 72 Y CB 1.690 40.220 38.460 0.116 0.000 1.234 72 Y HN 0.081 nan 8.280 nan 0.000 0.461 73 A N 1.606 124.546 122.820 0.201 0.000 2.260 73 A HA 0.540 4.860 4.320 -0.000 0.000 0.308 73 A C -0.280 177.365 177.584 0.102 0.000 1.254 73 A CA -0.617 51.494 52.037 0.124 0.000 0.874 73 A CB -0.066 18.983 19.000 0.081 0.000 1.153 73 A HN 0.717 nan 8.150 nan 0.000 0.527 74 T N 4.299 118.896 114.554 0.072 0.000 2.834 74 T HA 0.302 4.652 4.350 -0.000 0.000 0.298 74 T C 0.014 174.679 174.700 -0.059 0.000 0.966 74 T CA 0.124 62.208 62.100 -0.026 0.000 1.141 74 T CB 0.126 69.000 68.868 0.010 0.000 0.905 74 T HN 0.518 nan 8.240 nan 0.000 0.535 75 K N 2.554 122.828 120.400 -0.209 0.000 2.316 75 K HA 0.345 4.665 4.320 -0.000 0.000 0.251 75 K C -1.304 175.076 176.600 -0.366 0.000 0.934 75 K CA -0.635 55.566 56.287 -0.143 0.000 0.802 75 K CB 2.031 34.484 32.500 -0.079 0.000 1.171 75 K HN 0.617 nan 8.250 nan 0.000 0.426 76 W N 3.234 124.481 121.300 -0.089 0.000 2.394 76 W HA 0.332 4.992 4.660 0.000 0.000 0.312 76 W C -1.578 174.835 176.519 -0.177 0.000 0.981 76 W CA -1.750 55.511 57.345 -0.139 0.000 1.519 76 W CB 0.918 30.295 29.460 -0.138 0.000 1.304 76 W HN 0.520 nan 8.180 nan 0.000 0.412 77 P HA -0.110 nan 4.420 nan 0.000 0.221 77 P C 0.056 177.238 177.300 -0.196 0.000 1.145 77 P CA 1.356 64.344 63.100 -0.186 0.000 0.795 77 P CB 0.449 31.970 31.700 -0.299 0.000 0.775 78 I N -0.630 119.852 120.570 -0.147 0.000 2.355 78 I HA 0.472 4.642 4.170 -0.000 0.000 0.288 78 I C 0.657 176.714 176.117 -0.101 0.000 0.999 78 I CA -0.814 60.402 61.300 -0.141 0.000 1.163 78 I CB 1.516 39.426 38.000 -0.150 0.000 1.316 78 I HN -0.305 nan 8.210 nan 0.000 0.454 79 R N 4.042 124.477 120.500 -0.110 0.000 2.360 79 R HA 0.400 4.740 4.340 -0.000 0.000 0.318 79 R C 0.232 176.476 176.300 -0.094 0.000 0.950 79 R CA -0.668 55.322 56.100 -0.183 0.000 0.837 79 R CB 0.011 30.212 30.300 -0.164 0.000 1.165 79 R HN 0.792 nan 8.270 nan 0.000 0.458 80 H N 1.181 120.246 119.070 -0.008 0.000 2.770 80 H HA -0.223 4.333 4.556 0.000 0.000 0.309 80 H C 1.528 176.899 175.328 0.071 0.000 1.206 80 H CA 1.937 58.009 56.048 0.041 0.000 1.147 80 H CB -1.556 28.236 29.762 0.051 0.000 1.422 80 H HN 1.992 nan 8.280 nan 0.000 0.420 81 G N -1.234 107.632 108.800 0.109 0.000 2.284 81 G HA2 -0.358 3.601 3.960 -0.000 0.000 0.261 81 G HA3 -0.358 3.601 3.960 -0.000 0.000 0.261 81 G C 0.323 175.244 174.900 0.035 0.000 0.997 81 G CA 0.414 45.559 45.100 0.075 0.000 0.621 81 G HN 0.406 nan 8.290 nan 0.000 0.534 82 I N 1.132 121.729 120.570 0.045 0.000 2.440 82 I HA 0.449 4.619 4.170 -0.000 0.000 0.294 82 I C 0.867 176.930 176.117 -0.091 0.000 0.995 82 I CA -0.678 60.632 61.300 0.016 0.000 1.306 82 I CB 1.848 39.892 38.000 0.073 0.000 1.407 82 I HN -0.052 nan 8.210 nan 0.000 0.501 83 V N 7.199 126.997 119.914 -0.194 0.000 2.397 83 V HA 0.094 4.214 4.120 -0.000 0.000 0.262 83 V C 1.141 176.975 176.094 -0.432 0.000 1.047 83 V CA -0.089 61.919 62.300 -0.487 0.000 1.003 83 V CB 0.104 31.260 31.823 -1.112 0.000 1.037 83 V HN 0.704 nan 8.190 nan 0.000 0.480 84 E N 2.155 122.174 120.200 -0.301 0.000 2.318 84 E HA 0.033 4.383 4.350 -0.000 0.000 0.193 84 E C 0.423 176.900 176.600 -0.206 0.000 0.998 84 E CA 0.422 56.716 56.400 -0.176 0.000 0.859 84 E CB 0.404 30.045 29.700 -0.097 0.000 0.812 84 E HN 0.666 nan 8.360 nan 0.000 0.492 85 D N -0.987 119.217 120.400 -0.327 0.000 2.389 85 D HA 0.071 4.711 4.640 -0.000 0.000 0.256 85 D C -0.008 176.106 176.300 -0.310 0.000 1.239 85 D CA -0.512 53.350 54.000 -0.231 0.000 0.925 85 D CB 0.015 40.727 40.800 -0.147 0.000 1.145 85 D HN -0.114 nan 8.370 nan 0.000 0.542 86 W N 1.904 123.157 121.300 -0.078 0.000 2.402 86 W HA -0.060 4.600 4.660 -0.000 0.000 0.286 86 W C 1.778 178.253 176.519 -0.074 0.000 1.221 86 W CA 0.160 57.457 57.345 -0.081 0.000 1.257 86 W CB 0.187 29.563 29.460 -0.139 0.000 1.120 86 W HN 0.357 nan 8.180 nan 0.000 0.551 87 D N -0.047 120.407 120.400 0.090 0.000 2.097 87 D HA -0.151 4.489 4.640 -0.000 0.000 0.195 87 D C 2.112 178.394 176.300 -0.030 0.000 0.989 87 D CA 1.289 55.305 54.000 0.026 0.000 0.827 87 D CB -0.515 40.284 40.800 -0.002 0.000 0.966 87 D HN 0.023 nan 8.370 nan 0.000 0.456 88 L N 0.042 121.218 121.223 -0.079 0.000 2.109 88 L HA -0.030 4.310 4.340 -0.000 0.000 0.207 88 L C 2.215 179.018 176.870 -0.111 0.000 1.086 88 L CA 0.967 55.725 54.840 -0.137 0.000 0.760 88 L CB -0.632 41.336 42.059 -0.152 0.000 0.910 88 L HN 0.034 nan 8.230 nan 0.000 0.437 89 M N -0.535 118.994 119.600 -0.119 0.000 2.175 89 M HA -0.195 4.285 4.480 -0.000 0.000 0.264 89 M C 2.188 178.547 176.300 0.098 0.000 1.063 89 M CA 1.602 56.843 55.300 -0.098 0.000 1.119 89 M CB -0.325 32.130 32.600 -0.241 0.000 1.377 89 M HN 0.314 nan 8.290 nan 0.000 0.415 90 E N -0.402 119.873 120.200 0.125 0.000 2.077 90 E HA -0.216 4.133 4.350 -0.000 0.000 0.193 90 E C 2.073 178.815 176.600 0.237 0.000 0.989 90 E CA 1.255 57.779 56.400 0.207 0.000 0.800 90 E CB 0.001 29.782 29.700 0.136 0.000 0.746 90 E HN 0.545 nan 8.360 nan 0.000 0.452 91 R N -0.444 120.097 120.500 0.069 0.000 2.075 91 R HA -0.116 4.224 4.340 -0.000 0.000 0.232 91 R C 2.337 178.664 176.300 0.045 0.000 1.126 91 R CA 1.245 57.322 56.100 -0.038 0.000 0.963 91 R CB -0.507 29.460 30.300 -0.555 0.000 0.858 91 R HN 0.228 nan 8.270 nan 0.000 0.435 92 F N 1.536 121.398 119.950 -0.147 0.000 2.091 92 F HA -0.269 4.258 4.527 0.000 0.000 0.299 92 F C 2.231 178.074 175.800 0.071 0.000 1.103 92 F CA 1.576 59.555 58.000 -0.036 0.000 1.228 92 F CB -0.038 38.910 39.000 -0.087 0.000 0.984 92 F HN -0.092 nan 8.300 nan 0.000 0.477 93 M N 0.148 119.928 119.600 0.301 0.000 2.279 93 M HA -0.189 4.291 4.480 -0.000 0.000 0.264 93 M C 1.990 178.260 176.300 -0.050 0.000 1.062 93 M CA 1.391 56.764 55.300 0.122 0.000 1.099 93 M CB -1.245 31.476 32.600 0.203 0.000 1.394 93 M HN 0.321 nan 8.290 nan 0.000 0.426 94 E N -0.214 120.116 120.200 0.217 0.000 2.077 94 E HA -0.216 4.134 4.350 -0.000 0.000 0.193 94 E C 2.030 178.750 176.600 0.200 0.000 0.989 94 E CA 1.109 57.683 56.400 0.290 0.000 0.800 94 E CB -0.020 29.964 29.700 0.473 0.000 0.746 94 E HN 0.616 nan 8.360 nan 0.000 0.452 95 Q N -0.096 119.793 119.800 0.147 0.000 2.269 95 Q HA -0.034 4.306 4.340 -0.000 0.000 0.201 95 Q C 2.298 178.311 176.000 0.022 0.000 0.946 95 Q CA 0.386 56.216 55.803 0.045 0.000 0.877 95 Q CB 0.370 29.126 28.738 0.030 0.000 0.963 95 Q HN 0.124 nan 8.270 nan 0.000 0.472 96 V N 1.151 121.005 119.914 -0.100 0.000 2.332 96 V HA -0.288 3.832 4.120 -0.000 0.000 0.248 96 V C 2.030 178.057 176.094 -0.111 0.000 1.055 96 V CA 1.715 63.934 62.300 -0.135 0.000 1.038 96 V CB -0.315 31.412 31.823 -0.161 0.000 0.651 96 V HN 0.331 nan 8.190 nan 0.000 0.450 97 I N -1.625 118.832 120.570 -0.188 0.000 2.206 97 I HA -0.123 4.047 4.170 -0.000 0.000 0.239 97 I C 2.011 177.908 176.117 -0.367 0.000 1.078 97 I CA 1.625 62.724 61.300 -0.334 0.000 1.367 97 I CB -0.245 37.371 38.000 -0.640 0.000 1.078 97 I HN 0.205 nan 8.210 nan 0.000 0.413 98 F N 0.453 120.334 119.950 -0.116 0.000 2.743 98 F HA 0.050 4.577 4.527 -0.000 0.000 0.297 98 F C 2.321 178.031 175.800 -0.149 0.000 1.131 98 F CA 0.651 58.595 58.000 -0.094 0.000 1.426 98 F CB -0.086 38.870 39.000 -0.073 0.000 1.116 98 F HN -0.093 nan 8.300 nan 0.000 0.583 99 K N -1.195 119.155 120.400 -0.084 0.000 2.286 99 K HA 0.024 4.344 4.320 -0.000 0.000 0.203 99 K C 1.521 177.795 176.600 -0.544 0.000 1.078 99 K CA 0.646 56.730 56.287 -0.340 0.000 0.957 99 K CB -0.046 32.146 32.500 -0.513 0.000 1.018 99 K HN 0.077 nan 8.250 nan 0.000 0.484 100 Y N 0.914 121.031 120.300 -0.304 0.000 2.205 100 Y HA 0.062 4.612 4.550 0.000 0.000 0.292 100 Y C 1.991 177.745 175.900 -0.244 0.000 1.119 100 Y CA 0.750 58.521 58.100 -0.549 0.000 1.117 100 Y CB -0.128 37.728 38.460 -1.007 0.000 1.037 100 Y HN -0.099 nan 8.280 nan 0.000 0.510 101 L N -0.343 120.873 121.223 -0.012 0.000 2.217 101 L HA -0.076 4.264 4.340 -0.000 0.000 0.211 101 L C 0.468 177.416 176.870 0.130 0.000 1.107 101 L CA 0.692 55.587 54.840 0.092 0.000 0.783 101 L CB -0.426 41.543 42.059 -0.150 0.000 0.919 101 L HN 0.202 nan 8.230 nan 0.000 0.442 102 R N -0.138 120.366 120.500 0.007 0.000 3.251 102 R HA -0.165 4.175 4.340 -0.000 0.000 0.249 102 R C -0.177 176.141 176.300 0.031 0.000 0.949 102 R CA 0.314 56.425 56.100 0.018 0.000 0.645 102 R CB -1.804 28.532 30.300 0.059 0.000 1.065 102 R HN 0.369 nan 8.270 nan 0.000 0.452 103 A N 1.095 123.864 122.820 -0.085 0.000 2.330 103 A HA 0.435 4.754 4.320 -0.000 0.000 0.327 103 A C -0.115 177.400 177.584 -0.114 0.000 1.155 103 A CA -0.679 51.307 52.037 -0.084 0.000 0.803 103 A CB 1.419 20.204 19.000 -0.357 0.000 1.208 103 A HN 0.242 nan 8.150 nan 0.000 0.477 104 E N 4.182 124.456 120.200 0.124 0.000 2.003 104 E HA 0.214 4.563 4.350 -0.000 0.000 0.279 104 E C -1.555 175.185 176.600 0.233 0.000 1.132 104 E CA -2.224 54.260 56.400 0.141 0.000 0.888 104 E CB 0.595 30.417 29.700 0.204 0.000 1.056 104 E HN 0.354 nan 8.360 nan 0.000 0.399 105 P HA -0.242 nan 4.420 nan 0.000 0.217 105 P C 0.238 177.740 177.300 0.338 0.000 1.148 105 P CA 1.409 64.672 63.100 0.271 0.000 0.834 105 P CB 0.333 32.064 31.700 0.052 0.000 0.783 106 E N -0.779 119.577 120.200 0.260 0.000 2.478 106 E HA -0.098 4.252 4.350 -0.000 0.000 0.198 106 E C 0.702 177.432 176.600 0.217 0.000 1.046 106 E CA 0.489 57.024 56.400 0.224 0.000 0.870 106 E CB -0.223 29.589 29.700 0.187 0.000 0.818 106 E HN 0.336 nan 8.360 nan 0.000 0.527 107 D N -1.027 119.520 120.400 0.244 0.000 2.407 107 D HA 0.068 4.708 4.640 -0.000 0.000 0.208 107 D C 0.093 176.409 176.300 0.027 0.000 1.083 107 D CA 0.320 54.387 54.000 0.111 0.000 0.844 107 D CB 0.428 41.228 40.800 -0.000 0.000 0.967 107 D HN 0.176 nan 8.370 nan 0.000 0.506 108 H N -0.372 118.858 119.070 0.266 0.000 2.622 108 H HA 0.229 4.785 4.556 -0.000 0.000 0.363 108 H C -0.582 174.967 175.328 0.369 0.000 1.151 108 H CA -0.631 55.566 56.048 0.249 0.000 1.184 108 H CB 1.335 31.071 29.762 -0.043 0.000 1.643 108 H HN -0.120 nan 8.280 nan 0.000 0.531 109 Y N 0.811 121.285 120.300 0.291 0.000 2.301 109 Y HA 0.162 4.712 4.550 -0.000 0.000 0.328 109 Y C -0.100 175.928 175.900 0.215 0.000 1.242 109 Y CA 0.098 58.372 58.100 0.291 0.000 1.323 109 Y CB 0.552 39.114 38.460 0.170 0.000 1.266 109 Y HN 0.398 nan 8.280 nan 0.000 0.527 110 F N 2.465 122.556 119.950 0.234 0.000 2.532 110 F HA 0.503 5.029 4.527 -0.000 0.000 0.321 110 F C -0.715 175.228 175.800 0.238 0.000 1.089 110 F CA -0.902 57.188 58.000 0.151 0.000 0.926 110 F CB 1.577 40.586 39.000 0.016 0.000 1.168 110 F HN 0.168 nan 8.300 nan 0.000 0.459 111 L N 5.618 127.032 121.223 0.319 0.000 2.316 111 L HA 0.602 4.942 4.340 -0.000 0.000 0.280 111 L C -1.591 175.400 176.870 0.203 0.000 1.006 111 L CA -0.350 54.671 54.840 0.303 0.000 0.836 111 L CB 0.697 42.792 42.059 0.060 0.000 1.221 111 L HN 0.566 nan 8.230 nan 0.000 0.418 112 L N 3.572 124.927 121.223 0.219 0.000 2.334 112 L HA 0.630 4.970 4.340 -0.000 0.000 0.272 112 L C 0.506 177.452 176.870 0.126 0.000 1.020 112 L CA -0.665 54.270 54.840 0.158 0.000 0.812 112 L CB 2.136 44.280 42.059 0.141 0.000 1.264 112 L HN 0.590 nan 8.230 nan 0.000 0.439 113 T N -1.380 113.235 114.554 0.102 0.000 2.923 113 T HA 0.653 5.002 4.350 -0.000 0.000 0.281 113 T C -0.569 174.170 174.700 0.064 0.000 0.995 113 T CA -0.714 61.432 62.100 0.076 0.000 0.985 113 T CB 1.974 70.886 68.868 0.073 0.000 1.114 113 T HN 0.781 nan 8.240 nan 0.000 0.548 114 E N -0.436 119.790 120.200 0.043 0.000 2.390 114 E HA 0.545 4.895 4.350 -0.000 0.000 0.277 114 E C -3.167 173.441 176.600 0.015 0.000 0.939 114 E CA -2.468 53.956 56.400 0.040 0.000 0.769 114 E CB 1.842 31.567 29.700 0.042 0.000 1.251 114 E HN 0.444 nan 8.360 nan 0.000 0.450 115 P HA 0.175 nan 4.420 nan 0.000 0.274 115 P C -2.379 174.881 177.300 -0.067 0.000 1.237 115 P CA -1.383 61.701 63.100 -0.027 0.000 0.793 115 P CB 0.032 31.739 31.700 0.011 0.000 0.977 116 P HA 0.085 nan 4.420 nan 0.000 0.271 116 P C 0.783 178.025 177.300 -0.097 0.000 1.220 116 P CA 0.512 63.513 63.100 -0.166 0.000 0.768 116 P CB 0.067 31.576 31.700 -0.318 0.000 0.848 117 L N 0.493 121.697 121.223 -0.031 0.000 4.613 117 L HA -0.247 4.093 4.340 -0.000 0.000 0.409 117 L C 0.460 177.352 176.870 0.037 0.000 1.100 117 L CA 1.050 55.899 54.840 0.014 0.000 1.029 117 L CB -3.445 38.634 42.059 0.033 0.000 2.137 117 L HN 0.593 nan 8.230 nan 0.000 0.713 118 N N 1.444 120.165 118.700 0.034 0.000 2.454 118 N HA 0.493 5.233 4.740 -0.000 0.000 0.254 118 N C 0.871 176.416 175.510 0.058 0.000 1.228 118 N CA 0.942 54.030 53.050 0.063 0.000 0.900 118 N CB 1.070 39.597 38.487 0.067 0.000 1.089 118 N HN 1.259 nan 8.380 nan 0.000 0.449 119 T N 1.070 115.664 114.554 0.068 0.000 2.828 119 T HA 0.294 4.643 4.350 -0.000 0.000 0.290 119 T C -1.737 172.964 174.700 0.002 0.000 1.019 119 T CA -1.263 60.859 62.100 0.036 0.000 1.031 119 T CB 1.121 70.010 68.868 0.036 0.000 1.001 119 T HN 0.359 nan 8.240 nan 0.000 0.531 120 P HA 0.028 nan 4.420 nan 0.000 0.219 120 P C 1.205 178.423 177.300 -0.136 0.000 1.150 120 P CA 0.728 63.797 63.100 -0.051 0.000 0.814 120 P CB 0.071 31.746 31.700 -0.041 0.000 0.787 121 E N -0.582 119.500 120.200 -0.196 0.000 2.110 121 E HA -0.151 4.198 4.350 -0.000 0.000 0.193 121 E C 1.714 177.886 176.600 -0.713 0.000 0.988 121 E CA 1.197 57.329 56.400 -0.447 0.000 0.804 121 E CB -0.992 28.464 29.700 -0.407 0.000 0.745 121 E HN 0.379 nan 8.360 nan 0.000 0.458 122 N N 0.187 118.700 118.700 -0.311 0.000 2.166 122 N HA -0.118 4.622 4.740 -0.000 0.000 0.186 122 N C 1.700 177.178 175.510 -0.054 0.000 1.019 122 N CA 0.621 53.632 53.050 -0.065 0.000 0.856 122 N CB -0.018 38.651 38.487 0.302 0.000 0.993 122 N HN 0.063 nan 8.380 nan 0.000 0.426 123 R N 1.216 121.686 120.500 -0.050 0.000 2.096 123 R HA -0.108 4.232 4.340 -0.000 0.000 0.235 123 R C 1.737 178.006 176.300 -0.051 0.000 1.127 123 R CA 1.072 57.170 56.100 -0.003 0.000 0.968 123 R CB -0.216 30.082 30.300 -0.004 0.000 0.861 123 R HN 0.446 nan 8.270 nan 0.000 0.440 124 E N -0.059 120.036 120.200 -0.175 0.000 2.106 124 E HA -0.175 4.175 4.350 -0.000 0.000 0.192 124 E C 1.816 178.345 176.600 -0.119 0.000 0.984 124 E CA 1.123 57.437 56.400 -0.142 0.000 0.806 124 E CB -0.131 29.430 29.700 -0.232 0.000 0.750 124 E HN 0.516 nan 8.360 nan 0.000 0.458 125 Y N 0.803 120.915 120.300 -0.315 0.000 2.181 125 Y HA -0.193 4.357 4.550 -0.000 0.000 0.288 125 Y C 2.780 178.461 175.900 -0.365 0.000 1.146 125 Y CA 0.823 58.566 58.100 -0.595 0.000 1.164 125 Y CB -0.160 37.388 38.460 -1.520 0.000 0.982 125 Y HN 0.028 nan 8.280 nan 0.000 0.515 126 T N -0.087 114.462 114.554 -0.009 0.000 2.777 126 T HA -0.188 4.162 4.350 -0.000 0.000 0.266 126 T C 2.096 176.826 174.700 0.050 0.000 1.040 126 T CA 1.185 63.394 62.100 0.183 0.000 1.141 126 T CB -0.416 68.591 68.868 0.233 0.000 0.868 126 T HN 0.460 nan 8.240 nan 0.000 0.444 127 A N 1.119 123.956 122.820 0.027 0.000 1.968 127 A HA -0.038 4.282 4.320 -0.000 0.000 0.217 127 A C 2.179 179.751 177.584 -0.021 0.000 1.169 127 A CA 1.558 53.590 52.037 -0.008 0.000 0.638 127 A CB -0.483 18.621 19.000 0.174 0.000 0.812 127 A HN 0.593 nan 8.150 nan 0.000 0.446 128 E N 0.047 120.289 120.200 0.071 0.000 2.077 128 E HA -0.178 4.172 4.350 -0.000 0.000 0.193 128 E C 1.828 178.423 176.600 -0.009 0.000 0.989 128 E CA 1.327 57.788 56.400 0.103 0.000 0.800 128 E CB -0.213 29.547 29.700 0.100 0.000 0.746 128 E HN 0.673 nan 8.360 nan 0.000 0.452 129 I N 0.556 121.108 120.570 -0.031 0.000 2.142 129 I HA -0.288 3.882 4.170 -0.000 0.000 0.240 129 I C 2.446 178.462 176.117 -0.168 0.000 1.078 129 I CA 0.848 62.099 61.300 -0.081 0.000 1.343 129 I CB -0.241 37.799 38.000 0.067 0.000 1.046 129 I HN 0.249 nan 8.210 nan 0.000 0.405 130 M N -0.394 119.100 119.600 -0.177 0.000 2.229 130 M HA -0.135 4.345 4.480 -0.000 0.000 0.264 130 M C 2.134 178.158 176.300 -0.460 0.000 1.063 130 M CA 1.888 56.994 55.300 -0.323 0.000 1.114 130 M CB -1.094 31.164 32.600 -0.570 0.000 1.387 130 M HN 0.154 nan 8.290 nan 0.000 0.420 131 F N 0.408 120.202 119.950 -0.258 0.000 2.383 131 F HA 0.058 4.585 4.527 -0.000 0.000 0.287 131 F C 2.440 178.156 175.800 -0.139 0.000 1.069 131 F CA 0.546 58.375 58.000 -0.284 0.000 1.402 131 F CB -0.519 38.051 39.000 -0.716 0.000 1.116 131 F HN 0.107 nan 8.300 nan 0.000 0.549 132 E N -0.018 120.215 120.200 0.056 0.000 2.072 132 E HA -0.072 4.278 4.350 -0.000 0.000 0.190 132 E C 2.198 178.754 176.600 -0.073 0.000 0.982 132 E CA 1.290 57.712 56.400 0.036 0.000 0.803 132 E CB -0.477 29.245 29.700 0.037 0.000 0.755 132 E HN 0.238 nan 8.360 nan 0.000 0.453 133 S N 0.346 115.904 115.700 -0.237 0.000 2.339 133 S HA 0.031 4.501 4.470 -0.000 0.000 0.213 133 S C 1.561 175.931 174.600 -0.383 0.000 1.033 133 S CA 0.540 58.465 58.200 -0.458 0.000 0.950 133 S CB -0.175 62.459 63.200 -0.942 0.000 0.893 133 S HN 0.126 nan 8.310 nan 0.000 0.492 134 F N 1.791 121.739 119.950 -0.004 0.000 2.789 134 F HA 0.310 4.837 4.527 -0.000 0.000 0.300 134 F C 0.426 176.233 175.800 0.011 0.000 1.132 134 F CA -0.390 57.616 58.000 0.009 0.000 1.404 134 F CB -1.037 37.897 39.000 -0.110 0.000 1.114 134 F HN 0.058 nan 8.300 nan 0.000 0.584 135 N N -0.520 118.256 118.700 0.125 0.000 2.740 135 N HA -0.157 4.583 4.740 -0.000 0.000 0.248 135 N C -0.391 175.207 175.510 0.146 0.000 1.062 135 N CA 0.699 53.839 53.050 0.149 0.000 0.704 135 N CB -2.215 36.368 38.487 0.160 0.000 0.968 135 N HN 0.210 nan 8.380 nan 0.000 0.547 136 V N -1.833 118.096 119.914 0.026 0.000 2.655 136 V HA 0.281 4.401 4.120 -0.000 0.000 0.300 136 V C -0.502 175.666 176.094 0.123 0.000 1.044 136 V CA -0.818 61.489 62.300 0.012 0.000 1.095 136 V CB 1.089 32.762 31.823 -0.250 0.000 0.952 136 V HN 0.044 nan 8.190 nan 0.000 0.485 137 P HA 0.166 nan 4.420 nan 0.000 0.221 137 P C 0.645 177.768 177.300 -0.295 0.000 1.150 137 P CA 1.470 64.559 63.100 -0.018 0.000 0.800 137 P CB 0.334 32.054 31.700 0.034 0.000 0.787 138 G N -0.439 108.004 108.800 -0.594 0.000 2.720 138 G HA2 0.543 4.503 3.960 -0.000 0.000 0.295 138 G HA3 0.543 4.503 3.960 -0.000 0.000 0.295 138 G C -2.473 172.307 174.900 -0.201 0.000 1.437 138 G CA -0.304 44.399 45.100 -0.661 0.000 0.886 138 G HN 0.183 nan 8.290 nan 0.000 0.509 139 L N 0.536 121.799 121.223 0.067 0.000 2.434 139 L HA 0.904 5.244 4.340 -0.000 0.000 0.260 139 L C -2.065 174.938 176.870 0.222 0.000 0.983 139 L CA -1.200 53.706 54.840 0.110 0.000 0.820 139 L CB 2.277 44.278 42.059 -0.096 0.000 1.361 139 L HN 0.666 nan 8.230 nan 0.000 0.410 140 Y N 4.553 124.928 120.300 0.125 0.000 2.361 140 Y HA 0.649 5.199 4.550 -0.000 0.000 0.328 140 Y C -1.333 174.664 175.900 0.161 0.000 1.044 140 Y CA -0.729 57.448 58.100 0.128 0.000 1.085 140 Y CB 1.470 40.051 38.460 0.201 0.000 1.194 140 Y HN 0.539 nan 8.280 nan 0.000 0.438 141 I N 6.606 127.033 120.570 -0.240 0.000 2.307 141 I HA 0.522 4.692 4.170 -0.000 0.000 0.287 141 I C 0.146 176.088 176.117 -0.292 0.000 1.054 141 I CA -0.530 60.696 61.300 -0.123 0.000 1.218 141 I CB 0.827 38.800 38.000 -0.045 0.000 1.398 141 I HN 0.767 nan 8.210 nan 0.000 0.475 142 A N 5.874 128.666 122.820 -0.046 0.000 2.322 142 A HA 0.479 4.799 4.320 -0.000 0.000 0.269 142 A C -0.204 177.381 177.584 0.002 0.000 1.094 142 A CA -0.420 51.646 52.037 0.049 0.000 0.807 142 A CB 1.204 20.367 19.000 0.273 0.000 1.047 142 A HN 0.540 nan 8.150 nan 0.000 0.487 143 V N 3.358 123.264 119.914 -0.012 0.000 2.348 143 V HA 0.144 4.264 4.120 -0.000 0.000 0.270 143 V C 1.050 177.125 176.094 -0.033 0.000 1.037 143 V CA -0.055 62.229 62.300 -0.027 0.000 0.872 143 V CB 0.126 31.928 31.823 -0.034 0.000 1.002 143 V HN 1.049 nan 8.190 nan 0.000 0.464 144 Q N 4.739 124.525 119.800 -0.023 0.000 2.142 144 Q HA -0.301 4.039 4.340 -0.000 0.000 0.213 144 Q C 2.240 178.215 176.000 -0.042 0.000 1.004 144 Q CA 2.613 58.404 55.803 -0.021 0.000 0.883 144 Q CB -0.303 28.432 28.738 -0.005 0.000 0.939 144 Q HN 1.034 nan 8.270 nan 0.000 0.413 145 A N 0.260 123.048 122.820 -0.053 0.000 1.892 145 A HA -0.203 4.117 4.320 -0.000 0.000 0.218 145 A C 2.359 179.888 177.584 -0.092 0.000 1.188 145 A CA 1.847 53.849 52.037 -0.059 0.000 0.631 145 A CB -0.912 18.056 19.000 -0.054 0.000 0.822 145 A HN 0.245 nan 8.150 nan 0.000 0.447 146 V N 0.376 120.224 119.914 -0.110 0.000 2.255 146 V HA -0.302 3.818 4.120 -0.000 0.000 0.247 146 V C 2.586 178.536 176.094 -0.240 0.000 1.051 146 V CA 2.116 64.314 62.300 -0.169 0.000 1.018 146 V CB -0.915 30.807 31.823 -0.169 0.000 0.641 146 V HN 0.595 nan 8.190 nan 0.000 0.445 147 L N 0.131 121.237 121.223 -0.195 0.000 2.079 147 L HA -0.197 4.143 4.340 -0.000 0.000 0.210 147 L C 2.765 179.506 176.870 -0.214 0.000 1.081 147 L CA 1.638 56.341 54.840 -0.228 0.000 0.752 147 L CB -1.007 40.966 42.059 -0.143 0.000 0.896 147 L HN 0.389 nan 8.230 nan 0.000 0.433 148 A N 0.442 123.184 122.820 -0.130 0.000 1.877 148 A HA -0.171 4.149 4.320 -0.000 0.000 0.216 148 A C 2.290 179.764 177.584 -0.183 0.000 1.186 148 A CA 1.474 53.465 52.037 -0.077 0.000 0.620 148 A CB -0.717 18.272 19.000 -0.018 0.000 0.822 148 A HN 0.341 nan 8.150 nan 0.000 0.443 149 L N -0.755 120.321 121.223 -0.245 0.000 2.042 149 L HA -0.226 4.114 4.340 -0.000 0.000 0.210 149 L C 3.110 179.514 176.870 -0.777 0.000 1.076 149 L CA 1.161 55.803 54.840 -0.329 0.000 0.749 149 L CB -0.500 41.425 42.059 -0.223 0.000 0.893 149 L HN 0.448 nan 8.230 nan 0.000 0.432 150 A N -0.154 122.078 122.820 -0.980 0.000 1.902 150 A HA -0.189 4.131 4.320 -0.000 0.000 0.217 150 A C 2.522 179.559 177.584 -0.912 0.000 1.181 150 A CA 1.721 52.770 52.037 -1.647 0.000 0.623 150 A CB -0.770 17.554 19.000 -1.126 0.000 0.818 150 A HN 0.412 nan 8.150 nan 0.000 0.443 151 A N 0.380 122.952 122.820 -0.414 0.000 1.940 151 A HA -0.122 4.198 4.320 -0.000 0.000 0.219 151 A C 2.477 179.848 177.584 -0.355 0.000 1.176 151 A CA 2.363 54.376 52.037 -0.040 0.000 0.631 151 A CB -0.986 18.116 19.000 0.170 0.000 0.814 151 A HN 1.089 nan 8.150 nan 0.000 0.446 152 S N -1.747 113.620 115.700 -0.554 0.000 2.447 152 S HA -0.165 4.305 4.470 -0.000 0.000 0.233 152 S C 1.484 176.004 174.600 -0.134 0.000 1.006 152 S CA 0.900 58.741 58.200 -0.599 0.000 0.957 152 S CB -0.703 62.340 63.200 -0.261 0.000 0.773 152 S HN 0.645 nan 8.310 nan 0.000 0.507 153 W N 2.413 123.640 121.300 -0.122 0.000 2.560 153 W HA 0.055 4.715 4.660 -0.001 0.000 0.252 153 W C 2.452 178.950 176.519 -0.035 0.000 1.242 153 W CA 0.361 57.674 57.345 -0.053 0.000 1.242 153 W CB -1.880 27.566 29.460 -0.024 0.000 1.136 153 W HN 0.360 nan 8.180 nan 0.000 0.625 154 T N -0.489 114.140 114.554 0.124 0.000 2.833 154 T HA -0.037 4.313 4.350 -0.000 0.000 0.269 154 T C 0.781 175.535 174.700 0.090 0.000 1.054 154 T CA 1.764 63.925 62.100 0.101 0.000 1.135 154 T CB -0.033 68.834 68.868 -0.001 0.000 0.869 154 T HN 0.101 nan 8.240 nan 0.000 0.466 155 S N -2.316 113.422 115.700 0.064 0.000 4.188 155 S HA 0.419 4.889 4.470 -0.000 0.000 0.644 155 S C -0.527 174.123 174.600 0.082 0.000 0.906 155 S CA 0.189 58.435 58.200 0.077 0.000 1.093 155 S CB -0.770 62.476 63.200 0.077 0.000 0.334 155 S HN 1.027 nan 8.310 nan 0.000 1.735 160 E N 2.139 122.299 120.200 -0.067 0.000 2.149 160 E HA 0.511 4.861 4.350 -0.000 0.000 0.255 160 E C 0.571 177.070 176.600 -0.167 0.000 0.888 160 E CA -0.668 55.669 56.400 -0.105 0.000 0.742 160 E CB 0.183 29.851 29.700 -0.054 0.000 1.164 160 E HN 0.264 nan 8.360 nan 0.000 0.422 161 R N 2.096 122.377 120.500 -0.366 0.000 2.734 161 R HA 0.380 4.720 4.340 -0.000 0.000 0.266 161 R C -0.071 176.044 176.300 -0.309 0.000 1.044 161 R CA 0.223 55.896 56.100 -0.711 0.000 1.128 161 R CB 0.816 30.270 30.300 -1.410 0.000 1.010 161 R HN 0.532 nan 8.270 nan 0.000 0.461 162 T N 0.974 115.533 114.554 0.008 0.000 3.087 162 T HA 0.216 4.566 4.350 -0.000 0.000 0.351 162 T C -0.743 174.174 174.700 0.361 0.000 1.520 162 T CA -0.720 61.475 62.100 0.158 0.000 1.111 162 T CB 0.869 69.799 68.868 0.102 0.000 1.353 162 T HN 0.466 nan 8.240 nan 0.000 0.481 163 L N 3.370 124.734 121.223 0.236 0.000 3.034 163 L HA 0.360 4.700 4.340 -0.000 0.000 0.245 163 L C 0.075 176.995 176.870 0.083 0.000 1.295 163 L CA -0.175 54.763 54.840 0.163 0.000 1.068 163 L CB 0.529 42.654 42.059 0.109 0.000 1.426 163 L HN 0.625 nan 8.230 nan 0.000 0.531 164 T N 0.197 114.806 114.554 0.092 0.000 2.809 164 T HA 0.755 5.105 4.350 -0.000 0.000 0.284 164 T C 0.110 174.844 174.700 0.058 0.000 0.992 164 T CA -0.553 61.585 62.100 0.064 0.000 0.957 164 T CB 2.039 70.945 68.868 0.063 0.000 0.942 164 T HN 0.443 nan 8.240 nan 0.000 0.439 165 G N 1.598 110.418 108.800 0.034 0.000 2.328 165 G HA2 0.468 4.428 3.960 -0.000 0.000 0.295 165 G HA3 0.468 4.428 3.960 -0.000 0.000 0.295 165 G C -1.262 173.642 174.900 0.007 0.000 1.413 165 G CA -0.809 44.308 45.100 0.028 0.000 0.817 165 G HN 0.550 nan 8.290 nan 0.000 0.546 166 T N 0.505 115.062 114.554 0.005 0.000 2.749 166 T HA 0.561 4.911 4.350 -0.000 0.000 0.287 166 T C -0.101 174.606 174.700 0.012 0.000 0.970 166 T CA -0.379 61.718 62.100 -0.006 0.000 0.980 166 T CB 1.596 70.450 68.868 -0.023 0.000 0.924 166 T HN 0.584 nan 8.240 nan 0.000 0.456 167 V N 5.046 124.964 119.914 0.007 0.000 2.398 167 V HA 0.422 4.542 4.120 -0.000 0.000 0.286 167 V C 0.055 176.164 176.094 0.025 0.000 1.026 167 V CA -0.791 61.519 62.300 0.016 0.000 0.868 167 V CB 1.234 33.057 31.823 0.001 0.000 0.982 167 V HN 0.835 nan 8.190 nan 0.000 0.443 168 I N 4.428 125.020 120.570 0.037 0.000 2.347 168 I HA 0.295 4.464 4.170 -0.000 0.000 0.283 168 I C -0.049 176.082 176.117 0.025 0.000 1.058 168 I CA -0.015 61.306 61.300 0.036 0.000 1.202 168 I CB 0.760 38.793 38.000 0.056 0.000 1.386 168 I HN 0.608 nan 8.210 nan 0.000 0.475 169 D N 5.236 125.662 120.400 0.044 0.000 2.359 169 D HA 0.156 4.796 4.640 -0.000 0.000 0.230 169 D C -0.801 175.536 176.300 0.061 0.000 1.118 169 D CA 0.075 54.106 54.000 0.052 0.000 0.844 169 D CB 1.497 42.344 40.800 0.078 0.000 1.059 169 D HN 0.316 nan 8.370 nan 0.000 0.493 170 S N 2.607 118.319 115.700 0.020 0.000 2.640 170 S HA 0.641 5.111 4.470 -0.000 0.000 0.320 170 S C 0.220 174.860 174.600 0.067 0.000 1.097 170 S CA -0.524 57.712 58.200 0.060 0.000 1.092 170 S CB 1.082 64.313 63.200 0.052 0.000 0.988 170 S HN 0.601 nan 8.310 nan 0.000 0.470 171 G N 2.813 111.672 108.800 0.098 0.000 3.434 171 G HA2 0.269 4.229 3.960 -0.000 0.000 0.197 171 G HA3 0.269 4.229 3.960 -0.000 0.000 0.197 171 G C -0.008 174.952 174.900 0.100 0.000 1.559 171 G CA -0.041 45.120 45.100 0.101 0.000 0.852 171 G HN 0.586 nan 8.290 nan 0.000 0.682 172 D N -1.477 118.978 120.400 0.092 0.000 2.455 172 D HA 0.199 4.839 4.640 -0.000 0.000 0.228 172 D C 2.134 178.440 176.300 0.010 0.000 1.070 172 D CA 0.942 54.971 54.000 0.048 0.000 0.881 172 D CB 0.451 41.267 40.800 0.027 0.000 1.087 172 D HN 0.326 nan 8.370 nan 0.000 0.498 173 G N -0.139 108.687 108.800 0.042 0.000 2.658 173 G HA2 0.214 4.174 3.960 -0.000 0.000 0.217 173 G HA3 0.214 4.174 3.960 -0.000 0.000 0.217 173 G C 0.106 175.088 174.900 0.135 0.000 1.319 173 G CA 0.362 45.508 45.100 0.076 0.000 0.885 173 G HN 0.118 nan 8.290 nan 0.000 0.553 174 V N -0.225 119.766 119.914 0.129 0.000 2.925 174 V HA 0.461 4.581 4.120 -0.000 0.000 0.311 174 V C -0.445 175.583 176.094 -0.110 0.000 1.104 174 V CA -0.730 61.550 62.300 -0.033 0.000 0.954 174 V CB 2.150 33.880 31.823 -0.155 0.000 1.022 174 V HN 0.345 nan 8.190 nan 0.000 0.427 175 T N 2.609 117.089 114.554 -0.124 0.000 2.869 175 T HA 0.495 4.845 4.350 -0.000 0.000 0.295 175 T C -0.695 173.847 174.700 -0.263 0.000 0.987 175 T CA 0.009 62.064 62.100 -0.074 0.000 1.109 175 T CB 0.215 69.128 68.868 0.074 0.000 0.932 175 T HN 0.677 nan 8.240 nan 0.000 0.518 176 H N 0.113 119.166 119.070 -0.028 0.000 2.572 176 H HA 0.575 5.131 4.556 -0.000 0.000 0.359 176 H C -0.779 174.507 175.328 -0.069 0.000 1.134 176 H CA -0.681 55.309 56.048 -0.097 0.000 1.187 176 H CB 1.406 31.094 29.762 -0.124 0.000 1.597 176 H HN 0.299 nan 8.280 nan 0.000 0.524 177 V N 5.223 125.165 119.914 0.045 0.000 2.326 177 V HA 0.270 4.390 4.120 -0.000 0.000 0.281 177 V C -0.330 175.768 176.094 0.007 0.000 1.015 177 V CA -0.367 61.946 62.300 0.020 0.000 0.823 177 V CB 0.398 32.227 31.823 0.011 0.000 1.009 177 V HN 0.612 nan 8.190 nan 0.000 0.436 178 I N 8.056 128.627 120.570 0.002 0.000 2.390 178 I HA 0.373 4.543 4.170 -0.000 0.000 0.283 178 I C -2.297 173.811 176.117 -0.016 0.000 1.016 178 I CA -1.949 59.341 61.300 -0.017 0.000 1.151 178 I CB 2.451 40.429 38.000 -0.035 0.000 1.293 178 I HN 0.386 nan 8.210 nan 0.000 0.458 179 P HA 0.184 nan 4.420 nan 0.000 0.281 179 P C -0.804 176.497 177.300 0.000 0.000 1.252 179 P CA -0.152 62.938 63.100 -0.016 0.000 0.778 179 P CB 1.767 33.454 31.700 -0.023 0.000 0.895 180 V N 2.924 122.841 119.914 0.005 0.000 2.483 180 V HA 0.586 4.706 4.120 -0.000 0.000 0.297 180 V C 0.126 176.241 176.094 0.036 0.000 1.027 180 V CA -0.851 61.460 62.300 0.019 0.000 0.855 180 V CB 1.704 33.525 31.823 -0.003 0.000 0.995 180 V HN 0.693 nan 8.190 nan 0.000 0.424 181 A N 3.136 125.995 122.820 0.066 0.000 2.267 181 A HA 0.720 5.040 4.320 -0.000 0.000 0.315 181 A C 0.423 178.074 177.584 0.112 0.000 1.297 181 A CA -0.436 51.649 52.037 0.080 0.000 0.865 181 A CB -0.007 19.042 19.000 0.082 0.000 1.165 181 A HN 1.063 nan 8.150 nan 0.000 0.513 182 E N 1.593 121.846 120.200 0.088 0.000 2.328 182 E HA -0.270 4.080 4.350 -0.000 0.000 0.233 182 E C 1.043 177.666 176.600 0.039 0.000 1.219 182 E CA 1.201 57.657 56.400 0.093 0.000 0.717 182 E CB -1.590 28.188 29.700 0.131 0.000 1.210 182 E HN 2.137 nan 8.360 nan 0.000 0.381 183 G N -1.258 107.516 108.800 -0.043 0.000 2.175 183 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.244 183 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.244 183 G C -0.318 174.325 174.900 -0.429 0.000 0.982 183 G CA 0.324 45.280 45.100 -0.239 0.000 0.641 183 G HN 0.296 nan 8.290 nan 0.000 0.527 184 Y N 0.349 120.678 120.300 0.047 0.000 2.328 184 Y HA 0.571 5.121 4.550 -0.000 0.000 0.333 184 Y C 0.781 176.697 175.900 0.026 0.000 0.958 184 Y CA -1.007 57.121 58.100 0.046 0.000 1.167 184 Y CB 1.922 40.417 38.460 0.058 0.000 1.151 184 Y HN 0.098 nan 8.280 nan 0.000 0.470 185 V N 5.308 125.308 119.914 0.143 0.000 2.788 185 V HA -0.063 4.056 4.120 -0.000 0.000 0.307 185 V C 0.603 176.750 176.094 0.089 0.000 1.069 185 V CA 0.295 62.642 62.300 0.078 0.000 1.173 185 V CB 0.377 32.225 31.823 0.041 0.000 0.925 185 V HN 0.603 nan 8.190 nan 0.000 0.492 186 I N 4.867 125.469 120.570 0.054 0.000 2.243 186 I HA 0.172 4.342 4.170 -0.000 0.000 0.289 186 I C 1.764 177.899 176.117 0.031 0.000 1.140 186 I CA 0.106 61.432 61.300 0.044 0.000 1.289 186 I CB 0.159 38.177 38.000 0.030 0.000 1.498 186 I HN 0.857 nan 8.210 nan 0.000 0.561 187 G N 3.340 112.161 108.800 0.036 0.000 2.574 187 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.220 187 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.220 187 G C 1.647 176.566 174.900 0.031 0.000 1.173 187 G CA 1.370 46.488 45.100 0.030 0.000 0.772 187 G HN 0.624 nan 8.290 nan 0.000 0.585 188 S N -1.201 114.517 115.700 0.030 0.000 2.537 188 S HA -0.058 4.411 4.470 -0.000 0.000 0.240 188 S C 1.625 176.244 174.600 0.032 0.000 0.981 188 S CA 1.187 59.406 58.200 0.031 0.000 0.948 188 S CB -0.489 62.726 63.200 0.025 0.000 0.759 188 S HN 0.384 nan 8.310 nan 0.000 0.531 189 C N 0.605 119.921 119.300 0.027 0.000 3.336 189 C HA 0.511 4.971 4.460 -0.000 0.000 0.291 189 C C 0.816 175.819 174.990 0.022 0.000 1.363 189 C CA -1.149 57.883 59.018 0.023 0.000 1.737 189 C CB -1.105 26.641 27.740 0.010 0.000 2.274 189 C HN 0.555 nan 8.230 nan 0.000 0.663 190 I N 2.008 122.589 120.570 0.019 0.000 2.813 190 I HA 0.087 4.257 4.170 -0.000 0.000 0.287 190 I C 0.191 176.322 176.117 0.024 0.000 1.196 190 I CA 1.082 62.381 61.300 -0.003 0.000 1.421 190 I CB 0.373 38.351 38.000 -0.036 0.000 1.365 190 I HN 0.057 nan 8.210 nan 0.000 0.591 191 K N 4.112 124.509 120.400 -0.005 0.000 2.508 191 K HA 0.511 4.831 4.320 -0.000 0.000 0.260 191 K C -0.993 175.590 176.600 -0.028 0.000 0.949 191 K CA -0.655 55.675 56.287 0.072 0.000 0.834 191 K CB 1.460 34.012 32.500 0.087 0.000 1.365 191 K HN 0.488 nan 8.250 nan 0.000 0.437 192 H N 1.947 120.997 119.070 -0.033 0.000 2.693 192 H HA 0.634 5.189 4.556 -0.001 0.000 0.348 192 H C -0.374 174.811 175.328 -0.239 0.000 1.222 192 H CA -1.097 54.834 56.048 -0.194 0.000 1.270 192 H CB 1.866 31.473 29.762 -0.260 0.000 1.798 192 H HN 0.257 nan 8.280 nan 0.000 0.592 193 I N 0.988 121.427 120.570 -0.219 0.000 2.627 193 I HA 0.115 4.285 4.170 -0.000 0.000 0.288 193 I C -2.334 173.487 176.117 -0.494 0.000 1.202 193 I CA -1.874 59.136 61.300 -0.484 0.000 1.050 193 I CB 3.010 40.887 38.000 -0.205 0.000 1.264 193 I HN 0.254 nan 8.210 nan 0.000 0.429 194 P HA 0.074 nan 4.420 nan 0.000 0.274 194 P C -0.478 176.652 177.300 -0.283 0.000 1.370 194 P CA 0.781 63.619 63.100 -0.437 0.000 0.760 194 P CB -0.288 31.151 31.700 -0.435 0.000 1.308 195 I N -0.356 120.065 120.570 -0.247 0.000 2.447 195 I HA 0.573 4.743 4.170 -0.000 0.000 0.287 195 I C 0.204 176.243 176.117 -0.131 0.000 1.023 195 I CA -0.733 60.444 61.300 -0.205 0.000 1.083 195 I CB 1.697 39.536 38.000 -0.268 0.000 1.245 195 I HN -0.145 nan 8.210 nan 0.000 0.434 196 A N 3.820 126.562 122.820 -0.130 0.000 2.525 196 A HA 0.761 5.081 4.320 -0.000 0.000 0.291 196 A C 1.144 178.704 177.584 -0.040 0.000 1.268 196 A CA -0.032 51.990 52.037 -0.024 0.000 0.712 196 A CB -0.056 18.960 19.000 0.027 0.000 1.320 196 A HN 0.714 nan 8.150 nan 0.000 0.456 197 G N -0.211 108.619 108.800 0.050 0.000 2.513 197 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.219 197 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.219 197 G C 1.307 176.240 174.900 0.056 0.000 1.160 197 G CA 1.420 46.567 45.100 0.079 0.000 0.767 197 G HN 0.710 nan 8.290 nan 0.000 0.571 198 R N 0.206 120.715 120.500 0.015 0.000 2.189 198 R HA -0.002 4.338 4.340 -0.000 0.000 0.223 198 R C 1.980 178.301 176.300 0.035 0.000 1.092 198 R CA 1.200 57.301 56.100 0.003 0.000 0.989 198 R CB -0.075 30.183 30.300 -0.070 0.000 0.876 198 R HN 0.377 nan 8.270 nan 0.000 0.457 199 D N 0.519 120.923 120.400 0.006 0.000 2.162 199 D HA -0.057 4.582 4.640 -0.000 0.000 0.203 199 D C 1.931 178.291 176.300 0.100 0.000 0.967 199 D CA 0.919 54.942 54.000 0.038 0.000 0.840 199 D CB 0.070 40.831 40.800 -0.066 0.000 0.972 199 D HN 0.218 nan 8.370 nan 0.000 0.482 200 I N 1.232 121.816 120.570 0.023 0.000 2.252 200 I HA -0.211 3.959 4.170 -0.000 0.000 0.245 200 I C 2.401 178.606 176.117 0.146 0.000 1.102 200 I CA 0.971 62.304 61.300 0.055 0.000 1.385 200 I CB -0.420 37.578 38.000 -0.004 0.000 1.064 200 I HN -0.064 nan 8.210 nan 0.000 0.414 201 T N 0.055 114.693 114.554 0.141 0.000 2.708 201 T HA -0.256 4.094 4.350 -0.000 0.000 0.266 201 T C 1.830 176.611 174.700 0.136 0.000 1.037 201 T CA 1.581 63.757 62.100 0.127 0.000 1.146 201 T CB -0.470 68.466 68.868 0.114 0.000 0.865 201 T HN 0.351 nan 8.240 nan 0.000 0.435 202 Y N 0.824 121.154 120.300 0.049 0.000 2.274 202 Y HA -0.107 4.443 4.550 -0.001 0.000 0.290 202 Y C 1.952 177.916 175.900 0.107 0.000 1.145 202 Y CA 0.836 58.968 58.100 0.052 0.000 1.203 202 Y CB -0.432 38.050 38.460 0.036 0.000 0.984 202 Y HN 0.220 nan 8.280 nan 0.000 0.533 203 F N 0.125 120.053 119.950 -0.037 0.000 2.163 203 F HA -0.135 4.392 4.527 0.000 0.000 0.297 203 F C 1.979 177.698 175.800 -0.136 0.000 1.094 203 F CA 1.363 59.299 58.000 -0.107 0.000 1.290 203 F CB -0.669 38.320 39.000 -0.018 0.000 1.017 203 F HN 0.033 nan 8.300 nan 0.000 0.483 204 I N 0.139 120.620 120.570 -0.148 0.000 2.361 204 I HA -0.307 3.863 4.170 -0.000 0.000 0.251 204 I C 2.558 178.534 176.117 -0.236 0.000 1.133 204 I CA 1.499 62.657 61.300 -0.237 0.000 1.413 204 I CB -0.561 37.389 38.000 -0.082 0.000 1.073 204 I HN 0.285 nan 8.210 nan 0.000 0.424 205 Q N 0.832 120.514 119.800 -0.196 0.000 2.084 205 Q HA -0.277 4.063 4.340 -0.000 0.000 0.202 205 Q C 2.182 178.033 176.000 -0.249 0.000 0.978 205 Q CA 1.711 57.400 55.803 -0.190 0.000 0.844 205 Q CB -0.010 28.625 28.738 -0.172 0.000 0.898 205 Q HN 0.553 nan 8.270 nan 0.000 0.426 206 Q N 0.136 119.723 119.800 -0.355 0.000 2.020 206 Q HA -0.141 4.199 4.340 -0.000 0.000 0.202 206 Q C 2.329 178.166 176.000 -0.272 0.000 0.982 206 Q CA 1.520 57.135 55.803 -0.314 0.000 0.838 206 Q CB -0.123 28.418 28.738 -0.329 0.000 0.899 206 Q HN 0.430 nan 8.270 nan 0.000 0.423 207 L N 0.492 121.490 121.223 -0.375 0.000 2.081 207 L HA -0.246 4.093 4.340 -0.000 0.000 0.212 207 L C 2.302 179.057 176.870 -0.191 0.000 1.080 207 L CA 1.014 55.666 54.840 -0.313 0.000 0.754 207 L CB -0.427 41.377 42.059 -0.425 0.000 0.893 207 L HN 0.295 nan 8.230 nan 0.000 0.433 208 L N -1.015 120.101 121.223 -0.178 0.000 2.109 208 L HA -0.138 4.202 4.340 -0.000 0.000 0.207 208 L C 2.738 179.553 176.870 -0.092 0.000 1.086 208 L CA 0.961 55.732 54.840 -0.114 0.000 0.760 208 L CB -0.393 41.609 42.059 -0.095 0.000 0.910 208 L HN 0.177 nan 8.230 nan 0.000 0.437 209 R N -0.062 120.373 120.500 -0.108 0.000 2.148 209 R HA -0.131 4.209 4.340 -0.000 0.000 0.227 209 R C 1.293 177.550 176.300 -0.072 0.000 1.103 209 R CA 1.057 57.105 56.100 -0.086 0.000 0.983 209 R CB -0.153 30.090 30.300 -0.095 0.000 0.874 209 R HN 0.336 nan 8.270 nan 0.000 0.451 210 D N -0.747 119.603 120.400 -0.083 0.000 2.355 210 D HA -0.046 4.594 4.640 -0.000 0.000 0.218 210 D C 1.451 177.724 176.300 -0.044 0.000 1.004 210 D CA 0.698 54.660 54.000 -0.063 0.000 0.880 210 D CB 0.340 41.097 40.800 -0.072 0.000 0.911 210 D HN 0.201 nan 8.370 nan 0.000 0.528 211 R N -0.238 120.235 120.500 -0.046 0.000 2.663 211 R HA 0.042 4.382 4.340 -0.000 0.000 0.199 211 R C -0.524 175.762 176.300 -0.023 0.000 0.870 211 R CA -0.053 56.029 56.100 -0.030 0.000 1.040 211 R CB 0.913 31.193 30.300 -0.033 0.000 1.524 211 R HN -0.122 nan 8.270 nan 0.000 0.643 212 E N 2.734 122.919 120.200 -0.025 0.000 2.134 212 E HA 0.178 4.528 4.350 -0.000 0.000 0.278 212 E C -0.134 176.462 176.600 -0.006 0.000 0.959 212 E CA -0.353 56.045 56.400 -0.004 0.000 0.783 212 E CB 2.137 31.845 29.700 0.015 0.000 1.095 212 E HN 0.188 nan 8.360 nan 0.000 0.399 213 V N -0.464 119.451 119.914 0.001 0.000 3.170 213 V HA 0.779 4.898 4.120 -0.000 0.000 0.309 213 V C 1.165 177.256 176.094 -0.005 0.000 1.071 213 V CA 0.355 62.649 62.300 -0.009 0.000 1.063 213 V CB 0.999 32.820 31.823 -0.004 0.000 1.123 213 V HN 0.858 nan 8.190 nan 0.000 0.464 214 G N 1.540 110.317 108.800 -0.038 0.000 2.225 214 G HA2 -0.231 3.728 3.960 -0.000 0.000 0.254 214 G HA3 -0.231 3.728 3.960 -0.000 0.000 0.254 214 G C 0.086 174.838 174.900 -0.247 0.000 0.988 214 G CA 0.214 45.274 45.100 -0.066 0.000 0.625 214 G HN 0.972 nan 8.290 nan 0.000 0.527 215 I N 2.976 123.408 120.570 -0.230 0.000 2.505 215 I HA 0.181 4.351 4.170 -0.000 0.000 0.287 215 I C -1.739 174.140 176.117 -0.396 0.000 1.104 215 I CA -1.589 59.467 61.300 -0.407 0.000 1.387 215 I CB 0.743 38.653 38.000 -0.151 0.000 1.404 215 I HN -0.088 nan 8.210 nan 0.000 0.528 216 P HA 0.022 nan 4.420 nan 0.000 0.258 216 P C -1.969 175.235 177.300 -0.160 0.000 1.187 216 P CA -0.748 62.164 63.100 -0.313 0.000 0.767 216 P CB 0.182 31.696 31.700 -0.309 0.000 0.770 217 P HA -0.232 nan 4.420 nan 0.000 0.217 217 P C 0.783 178.065 177.300 -0.029 0.000 1.162 217 P CA 1.608 64.674 63.100 -0.057 0.000 0.901 217 P CB -0.108 31.568 31.700 -0.041 0.000 0.793 218 E N -0.820 119.368 120.200 -0.020 0.000 2.438 218 E HA -0.052 4.298 4.350 -0.000 0.000 0.192 218 E C 0.740 177.353 176.600 0.022 0.000 1.110 218 E CA 0.604 57.009 56.400 0.008 0.000 0.893 218 E CB -0.340 29.369 29.700 0.014 0.000 0.990 218 E HN 0.523 nan 8.360 nan 0.000 0.490 219 Q N -1.060 118.745 119.800 0.007 0.000 1.983 219 Q HA 0.144 4.484 4.340 -0.000 0.000 0.204 219 Q C 1.306 177.328 176.000 0.037 0.000 0.789 219 Q CA -0.043 55.787 55.803 0.045 0.000 1.007 219 Q CB 0.718 29.496 28.738 0.066 0.000 1.229 219 Q HN 0.008 nan 8.270 nan 0.000 0.431 220 S N 0.668 116.371 115.700 0.005 0.000 2.353 220 S HA -0.077 4.393 4.470 -0.000 0.000 0.222 220 S C 1.657 176.267 174.600 0.018 0.000 1.035 220 S CA 1.231 59.427 58.200 -0.005 0.000 1.025 220 S CB 0.036 63.225 63.200 -0.018 0.000 0.902 220 S HN 0.434 nan 8.310 nan 0.000 0.440 221 L N 0.980 122.226 121.223 0.038 0.000 2.072 221 L HA -0.042 4.298 4.340 -0.000 0.000 0.205 221 L C 2.747 179.654 176.870 0.061 0.000 1.079 221 L CA 1.537 56.407 54.840 0.051 0.000 0.752 221 L CB -0.553 41.544 42.059 0.064 0.000 0.906 221 L HN 0.482 nan 8.230 nan 0.000 0.436 222 E N -0.230 120.018 120.200 0.081 0.000 2.085 222 E HA -0.228 4.122 4.350 -0.000 0.000 0.194 222 E C 1.902 178.564 176.600 0.103 0.000 0.994 222 E CA 1.952 58.416 56.400 0.106 0.000 0.801 222 E CB 0.120 29.901 29.700 0.135 0.000 0.743 222 E HN 0.410 nan 8.360 nan 0.000 0.453 223 T N 0.558 115.177 114.554 0.109 0.000 2.777 223 T HA -0.081 4.269 4.350 -0.000 0.000 0.266 223 T C 1.875 176.519 174.700 -0.093 0.000 1.040 223 T CA 1.234 63.364 62.100 0.049 0.000 1.141 223 T CB -0.282 68.680 68.868 0.157 0.000 0.868 223 T HN 0.331 nan 8.240 nan 0.000 0.444 224 A N 1.677 124.479 122.820 -0.031 0.000 1.908 224 A HA -0.142 4.178 4.320 -0.000 0.000 0.218 224 A C 2.234 179.814 177.584 -0.007 0.000 1.181 224 A CA 1.994 54.010 52.037 -0.035 0.000 0.627 224 A CB -0.571 18.418 19.000 -0.018 0.000 0.818 224 A HN 0.465 nan 8.150 nan 0.000 0.445 225 K N -0.438 119.976 120.400 0.024 0.000 2.032 225 K HA -0.118 4.202 4.320 -0.000 0.000 0.209 225 K C 2.169 178.785 176.600 0.026 0.000 1.048 225 K CA 1.288 57.605 56.287 0.050 0.000 0.927 225 K CB -0.337 32.208 32.500 0.074 0.000 0.712 225 K HN 0.384 nan 8.250 nan 0.000 0.441 226 A N 0.440 123.254 122.820 -0.011 0.000 1.933 226 A HA -0.110 4.210 4.320 -0.000 0.000 0.218 226 A C 2.197 179.731 177.584 -0.083 0.000 1.175 226 A CA 1.608 53.621 52.037 -0.039 0.000 0.628 226 A CB -0.529 18.459 19.000 -0.020 0.000 0.814 226 A HN 0.182 nan 8.150 nan 0.000 0.444 227 V N 0.167 120.022 119.914 -0.098 0.000 2.358 227 V HA -0.239 3.881 4.120 -0.000 0.000 0.246 227 V C 2.504 178.680 176.094 0.137 0.000 1.047 227 V CA 2.268 64.610 62.300 0.069 0.000 1.035 227 V CB -0.623 31.200 31.823 0.001 0.000 0.658 227 V HN 0.679 nan 8.190 nan 0.000 0.452 228 K N 0.141 120.605 120.400 0.105 0.000 2.057 228 K HA -0.203 4.117 4.320 -0.000 0.000 0.207 228 K C 2.027 178.748 176.600 0.201 0.000 1.049 228 K CA 1.830 58.239 56.287 0.203 0.000 0.931 228 K CB -0.032 32.592 32.500 0.207 0.000 0.714 228 K HN 0.574 nan 8.250 nan 0.000 0.440 229 E N -0.642 119.595 120.200 0.061 0.000 2.250 229 E HA -0.055 4.295 4.350 -0.000 0.000 0.192 229 E C 1.821 178.381 176.600 -0.067 0.000 0.986 229 E CA 0.501 56.887 56.400 -0.024 0.000 0.849 229 E CB 0.335 30.002 29.700 -0.055 0.000 0.797 229 E HN 0.177 nan 8.360 nan 0.000 0.482 230 R N -1.032 119.379 120.500 -0.149 0.000 2.282 230 R HA 0.099 4.439 4.340 -0.000 0.000 0.195 230 R C 0.623 176.643 176.300 -0.466 0.000 0.909 230 R CA 0.594 56.466 56.100 -0.380 0.000 1.039 230 R CB 0.451 30.366 30.300 -0.642 0.000 1.015 230 R HN 0.146 nan 8.270 nan 0.000 0.513 231 Y N -1.579 118.818 120.300 0.163 0.000 2.435 231 Y HA 0.376 4.926 4.550 -0.000 0.000 0.270 231 Y C 0.648 176.757 175.900 0.348 0.000 1.093 231 Y CA -0.644 57.593 58.100 0.229 0.000 1.226 231 Y CB 0.335 38.906 38.460 0.186 0.000 1.289 231 Y HN -0.213 nan 8.280 nan 0.000 0.529 232 S N 1.251 117.218 115.700 0.445 0.000 2.580 232 S HA 0.332 4.802 4.470 -0.000 0.000 0.266 232 S C -0.790 174.161 174.600 0.586 0.000 1.354 232 S CA 0.096 58.545 58.200 0.416 0.000 1.008 232 S CB 0.151 63.592 63.200 0.403 0.000 0.898 232 S HN 0.388 nan 8.310 nan 0.000 0.555 233 Y N -3.006 117.515 120.300 0.368 0.000 2.774 233 Y HA 0.597 5.147 4.550 -0.000 0.000 0.346 233 Y C -1.706 174.370 175.900 0.294 0.000 1.222 233 Y CA -1.450 56.872 58.100 0.370 0.000 1.088 233 Y CB 0.377 39.037 38.460 0.334 0.000 1.354 233 Y HN 0.271 nan 8.280 nan 0.000 0.455 234 V N 2.639 122.826 119.914 0.455 0.000 2.398 234 V HA 0.497 4.617 4.120 -0.000 0.000 0.286 234 V C 0.460 176.740 176.094 0.311 0.000 1.026 234 V CA -0.597 61.882 62.300 0.298 0.000 0.868 234 V CB 0.752 32.790 31.823 0.358 0.000 0.982 234 V HN 1.128 nan 8.190 nan 0.000 0.443 235 C N 4.674 124.065 119.300 0.152 0.000 2.325 235 C HA 0.665 5.124 4.460 -0.000 0.000 0.370 235 C C -1.038 173.931 174.990 -0.035 0.000 1.217 235 C CA -1.401 57.678 59.018 0.101 0.000 2.254 235 C CB 1.313 28.991 27.740 -0.103 0.000 2.282 235 C HN 0.692 nan 8.230 nan 0.000 0.564 236 P HA 0.180 nan 4.420 nan 0.000 0.222 236 P C -0.519 176.715 177.300 -0.111 0.000 1.157 236 P CA 1.300 64.343 63.100 -0.095 0.000 0.816 236 P CB 0.096 31.760 31.700 -0.060 0.000 0.813 237 D N -2.129 118.201 120.400 -0.117 0.000 2.966 237 D HA 0.196 4.836 4.640 -0.000 0.000 0.222 237 D C 0.707 176.921 176.300 -0.143 0.000 1.292 237 D CA -0.444 53.499 54.000 -0.096 0.000 0.907 237 D CB 0.875 41.632 40.800 -0.072 0.000 1.621 237 D HN -0.296 nan 8.370 nan 0.000 0.557 238 L N 2.607 123.791 121.223 -0.065 0.000 1.955 238 L HA -0.175 4.165 4.340 -0.000 0.000 0.213 238 L C 2.425 179.300 176.870 0.008 0.000 1.072 238 L CA 1.804 56.621 54.840 -0.038 0.000 0.755 238 L CB -0.644 41.519 42.059 0.174 0.000 0.888 238 L HN 0.569 nan 8.230 nan 0.000 0.432 239 V N -2.045 117.913 119.914 0.072 0.000 2.282 239 V HA -0.328 3.792 4.120 -0.000 0.000 0.249 239 V C 2.322 178.420 176.094 0.007 0.000 1.057 239 V CA 2.008 64.352 62.300 0.074 0.000 1.032 239 V CB -1.037 30.795 31.823 0.015 0.000 0.645 239 V HN 0.418 nan 8.190 nan 0.000 0.447 240 K N 0.033 120.398 120.400 -0.059 0.000 2.103 240 K HA -0.227 4.093 4.320 -0.000 0.000 0.207 240 K C 2.270 178.759 176.600 -0.185 0.000 1.048 240 K CA 1.909 58.141 56.287 -0.092 0.000 0.930 240 K CB -0.195 32.251 32.500 -0.090 0.000 0.716 240 K HN 0.545 nan 8.250 nan 0.000 0.444 241 E N 0.332 120.322 120.200 -0.351 0.000 2.046 241 E HA -0.103 4.247 4.350 -0.000 0.000 0.190 241 E C 1.575 177.856 176.600 -0.532 0.000 0.982 241 E CA 1.064 57.068 56.400 -0.659 0.000 0.800 241 E CB -0.119 28.797 29.700 -1.307 0.000 0.756 241 E HN 0.125 nan 8.360 nan 0.000 0.449 242 F N 1.215 120.919 119.950 -0.410 0.000 2.126 242 F HA -0.176 4.351 4.527 -0.001 0.000 0.299 242 F C 2.319 178.118 175.800 -0.002 0.000 1.096 242 F CA 1.454 59.363 58.000 -0.152 0.000 1.255 242 F CB -0.527 38.366 39.000 -0.179 0.000 0.997 242 F HN 0.183 nan 8.300 nan 0.000 0.479 243 N N 0.660 119.452 118.700 0.153 0.000 2.084 243 N HA -0.183 4.557 4.740 -0.000 0.000 0.190 243 N C 1.825 177.404 175.510 0.116 0.000 1.030 243 N CA 1.301 54.419 53.050 0.113 0.000 0.849 243 N CB -0.070 38.445 38.487 0.046 0.000 1.012 243 N HN 0.286 nan 8.380 nan 0.000 0.423 244 K N -0.183 120.232 120.400 0.024 0.000 2.034 244 K HA -0.204 4.116 4.320 -0.000 0.000 0.214 244 K C 2.180 178.831 176.600 0.085 0.000 1.051 244 K CA 1.669 57.925 56.287 -0.052 0.000 0.931 244 K CB -0.420 31.809 32.500 -0.452 0.000 0.715 244 K HN 0.361 nan 8.250 nan 0.000 0.446 245 Y N 1.420 121.689 120.300 -0.052 0.000 2.114 245 Y HA -0.234 4.316 4.550 0.000 0.000 0.284 245 Y C 2.176 178.215 175.900 0.231 0.000 1.143 245 Y CA 0.876 59.090 58.100 0.190 0.000 1.135 245 Y CB -0.110 38.574 38.460 0.374 0.000 0.980 245 Y HN 0.117 nan 8.280 nan 0.000 0.499 246 D N -0.979 119.672 120.400 0.419 0.000 2.263 246 D HA -0.107 4.532 4.640 -0.000 0.000 0.208 246 D C 1.708 178.124 176.300 0.192 0.000 0.971 246 D CA 1.292 55.465 54.000 0.289 0.000 0.867 246 D CB -0.246 40.705 40.800 0.251 0.000 0.929 246 D HN 0.320 nan 8.370 nan 0.000 0.492 247 T N -0.278 114.385 114.554 0.182 0.000 3.207 247 T HA -0.068 4.282 4.350 -0.000 0.000 0.229 247 T C 0.848 175.638 174.700 0.149 0.000 0.999 247 T CA 0.328 62.511 62.100 0.139 0.000 1.386 247 T CB -0.187 68.754 68.868 0.122 0.000 1.130 247 T HN -0.091 nan 8.240 nan 0.000 0.435 248 D N 1.217 121.733 120.400 0.194 0.000 3.008 248 D HA 0.228 4.867 4.640 -0.000 0.000 0.242 248 D C 1.596 178.034 176.300 0.231 0.000 1.222 248 D CA -0.184 53.940 54.000 0.206 0.000 0.883 248 D CB -0.558 40.402 40.800 0.266 0.000 1.110 248 D HN 0.422 nan 8.370 nan 0.000 0.455 249 G N -0.104 108.799 108.800 0.172 0.000 2.550 249 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.222 249 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.222 249 G C 1.567 176.499 174.900 0.054 0.000 1.113 249 G CA 1.034 46.212 45.100 0.131 0.000 0.748 249 G HN 0.436 nan 8.290 nan 0.000 0.585 250 S N -0.254 115.462 115.700 0.027 0.000 2.423 250 S HA -0.037 4.433 4.470 -0.000 0.000 0.231 250 S C 2.098 176.636 174.600 -0.102 0.000 1.014 250 S CA 1.540 59.723 58.200 -0.029 0.000 0.965 250 S CB -0.109 63.078 63.200 -0.022 0.000 0.785 250 S HN 0.267 nan 8.310 nan 0.000 0.495 251 K N -0.780 119.532 120.400 -0.147 0.000 2.404 251 K HA 0.263 4.583 4.320 -0.000 0.000 0.194 251 K C 0.394 176.522 176.600 -0.786 0.000 1.023 251 K CA 0.161 56.203 56.287 -0.409 0.000 1.094 251 K CB 0.020 32.265 32.500 -0.425 0.000 0.841 251 K HN 0.536 nan 8.250 nan 0.000 0.523 252 W N -0.665 120.476 121.300 -0.265 0.000 3.520 252 W HA 0.306 4.966 4.660 0.001 0.000 0.223 252 W C -0.119 176.133 176.519 -0.444 0.000 1.110 252 W CA -0.554 56.486 57.345 -0.509 0.000 1.552 252 W CB 0.556 29.349 29.460 -1.110 0.000 0.775 252 W HN -0.259 nan 8.180 nan 0.000 0.794 253 I N 3.066 123.575 120.570 -0.101 0.000 2.496 253 I HA 0.118 4.288 4.170 -0.000 0.000 0.285 253 I C 0.378 176.447 176.117 -0.080 0.000 1.080 253 I CA -0.035 61.239 61.300 -0.044 0.000 1.404 253 I CB -0.041 37.947 38.000 -0.020 0.000 1.403 253 I HN -0.176 nan 8.210 nan 0.000 0.539 254 K N 5.443 125.773 120.400 -0.116 0.000 2.306 254 K HA 0.535 4.855 4.320 -0.000 0.000 0.236 254 K C -0.294 176.195 176.600 -0.185 0.000 1.013 254 K CA -0.841 55.327 56.287 -0.198 0.000 0.857 254 K CB 1.733 33.987 32.500 -0.410 0.000 1.214 254 K HN 0.401 nan 8.250 nan 0.000 0.449 255 Q N 0.675 120.389 119.800 -0.142 0.000 2.351 255 Q HA 0.446 4.786 4.340 -0.000 0.000 0.273 255 Q C -1.113 174.915 176.000 0.046 0.000 1.077 255 Q CA -0.878 54.898 55.803 -0.044 0.000 0.843 255 Q CB 1.965 30.691 28.738 -0.020 0.000 1.367 255 Q HN 0.613 nan 8.270 nan 0.000 0.449 256 Y N 0.009 120.289 120.300 -0.034 0.000 2.479 256 Y HA 0.494 5.044 4.550 0.000 0.000 0.338 256 Y C -1.413 174.466 175.900 -0.035 0.000 1.055 256 Y CA -0.464 57.661 58.100 0.041 0.000 1.023 256 Y CB 2.136 40.666 38.460 0.116 0.000 1.287 256 Y HN 0.708 nan 8.280 nan 0.000 0.447 257 T N 1.964 116.042 114.554 -0.794 0.000 2.886 257 T HA 0.890 5.240 4.350 -0.000 0.000 0.292 257 T C -0.395 173.650 174.700 -1.092 0.000 1.012 257 T CA -0.323 61.331 62.100 -0.743 0.000 0.982 257 T CB 1.564 70.191 68.868 -0.402 0.000 1.018 257 T HN 1.089 nan 8.240 nan 0.000 0.451 258 G N 0.068 108.104 108.800 -1.275 0.000 2.818 258 G HA2 0.839 4.799 3.960 -0.000 0.000 0.286 258 G HA3 0.839 4.799 3.960 -0.000 0.000 0.286 258 G C -1.066 173.322 174.900 -0.853 0.000 1.364 258 G CA -0.416 44.034 45.100 -1.084 0.000 0.938 258 G HN 1.380 nan 8.290 nan 0.000 0.490 259 I N 0.061 120.469 120.570 -0.271 0.000 2.433 259 I HA 0.657 4.826 4.170 -0.000 0.000 0.292 259 I C 0.029 176.323 176.117 0.294 0.000 1.001 259 I CA -1.381 59.923 61.300 0.008 0.000 1.119 259 I CB 1.456 39.454 38.000 -0.004 0.000 1.289 259 I HN 0.552 nan 8.210 nan 0.000 0.438 260 N N 4.268 123.179 118.700 0.351 0.000 2.452 260 N HA 0.281 5.021 4.740 -0.000 0.000 0.266 260 N C 1.418 177.017 175.510 0.149 0.000 1.209 260 N CA 0.770 53.983 53.050 0.271 0.000 0.929 260 N CB 1.764 40.362 38.487 0.186 0.000 1.063 260 N HN 0.944 nan 8.380 nan 0.000 0.472 261 A N 4.840 127.736 122.820 0.126 0.000 2.093 261 A HA -0.106 4.214 4.320 -0.000 0.000 0.222 261 A C 1.061 178.682 177.584 0.060 0.000 1.162 261 A CA 1.113 53.201 52.037 0.085 0.000 0.655 261 A CB -0.195 18.849 19.000 0.073 0.000 0.805 261 A HN 0.727 nan 8.150 nan 0.000 0.461 262 I N -2.504 118.100 120.570 0.056 0.000 2.910 262 I HA 0.322 4.492 4.170 -0.000 0.000 0.310 262 I C 1.570 177.714 176.117 0.045 0.000 1.043 262 I CA 0.204 61.529 61.300 0.040 0.000 1.053 262 I CB 1.834 39.851 38.000 0.028 0.000 1.242 262 I HN 0.403 nan 8.210 nan 0.000 0.452 263 S N 1.825 117.546 115.700 0.035 0.000 2.489 263 S HA -0.393 4.077 4.470 -0.000 0.000 0.243 263 S C 0.754 175.379 174.600 0.041 0.000 1.283 263 S CA 1.789 60.010 58.200 0.035 0.000 1.635 263 S CB -1.620 61.602 63.200 0.037 0.000 2.140 263 S HN 0.886 nan 8.310 nan 0.000 0.658 264 K N -0.417 120.014 120.400 0.052 0.000 3.048 264 K HA -0.242 4.078 4.320 -0.000 0.000 0.274 264 K C 0.304 176.936 176.600 0.053 0.000 1.098 264 K CA 1.684 58.003 56.287 0.052 0.000 0.807 264 K CB -2.867 29.653 32.500 0.033 0.000 1.217 264 K HN 1.268 nan 8.250 nan 0.000 0.477 265 K N 2.146 122.589 120.400 0.072 0.000 2.249 265 K HA 0.204 4.524 4.320 -0.000 0.000 0.280 265 K C -0.005 176.654 176.600 0.099 0.000 1.033 265 K CA -0.291 56.038 56.287 0.070 0.000 0.946 265 K CB 0.442 32.984 32.500 0.070 0.000 1.005 265 K HN 0.264 nan 8.250 nan 0.000 0.469 266 E N 1.200 121.423 120.200 0.038 0.000 2.366 266 E HA 0.289 4.639 4.350 -0.000 0.000 0.266 266 E C -0.662 175.965 176.600 0.044 0.000 1.015 266 E CA -0.072 56.311 56.400 -0.028 0.000 0.906 266 E CB 0.014 29.669 29.700 -0.075 0.000 0.979 266 E HN 0.530 nan 8.360 nan 0.000 0.443 267 F N 1.108 121.047 119.950 -0.018 0.000 2.482 267 F HA 0.564 5.090 4.527 -0.000 0.000 0.331 267 F C -0.520 175.276 175.800 -0.007 0.000 1.115 267 F CA -1.018 56.981 58.000 -0.001 0.000 0.955 267 F CB 1.196 40.209 39.000 0.021 0.000 1.136 267 F HN 0.120 nan 8.300 nan 0.000 0.452 268 S N 5.253 121.023 115.700 0.116 0.000 2.536 268 S HA 0.918 5.388 4.470 -0.000 0.000 0.298 268 S C -0.664 174.032 174.600 0.161 0.000 1.083 268 S CA -0.699 57.527 58.200 0.044 0.000 0.995 268 S CB 1.967 65.150 63.200 -0.029 0.000 1.058 268 S HN 1.073 nan 8.310 nan 0.000 0.488 269 I N -1.875 118.798 120.570 0.171 0.000 3.264 269 I HA 0.679 4.849 4.170 -0.000 0.000 0.315 269 I C -1.692 174.478 176.117 0.089 0.000 1.154 269 I CA -1.091 60.300 61.300 0.152 0.000 0.962 269 I CB 1.961 40.087 38.000 0.210 0.000 1.265 269 I HN 0.368 nan 8.210 nan 0.000 0.463 270 D N 2.186 122.609 120.400 0.040 0.000 2.163 270 D HA 0.495 5.135 4.640 -0.000 0.000 0.248 270 D C -0.778 175.499 176.300 -0.038 0.000 1.035 270 D CA -0.171 53.823 54.000 -0.010 0.000 0.872 270 D CB 2.836 43.621 40.800 -0.024 0.000 1.183 270 D HN 0.293 nan 8.370 nan 0.000 0.445 271 V N 1.899 121.760 119.914 -0.089 0.000 2.357 271 V HA 0.620 4.740 4.120 -0.000 0.000 0.284 271 V C 0.878 176.934 176.094 -0.064 0.000 1.018 271 V CA -0.294 61.937 62.300 -0.115 0.000 0.841 271 V CB 1.326 32.988 31.823 -0.267 0.000 0.991 271 V HN 0.708 nan 8.190 nan 0.000 0.437 272 G N 2.056 110.812 108.800 -0.074 0.000 3.387 272 G HA2 0.213 4.173 3.960 -0.000 0.000 0.194 272 G HA3 0.213 4.173 3.960 -0.000 0.000 0.194 272 G C 0.628 175.475 174.900 -0.090 0.000 1.417 272 G CA -0.139 44.936 45.100 -0.042 0.000 0.777 272 G HN 0.540 nan 8.290 nan 0.000 0.721 273 Y N 2.088 122.236 120.300 -0.254 0.000 2.173 273 Y HA -0.255 4.295 4.550 0.001 0.000 0.282 273 Y C 3.090 178.371 175.900 -1.032 0.000 1.192 273 Y CA 1.507 59.051 58.100 -0.926 0.000 1.176 273 Y CB -0.042 38.053 38.460 -0.609 0.000 0.969 273 Y HN 0.440 nan 8.280 nan 0.000 0.519 274 E N 1.584 121.552 120.200 -0.387 0.000 2.219 274 E HA -0.255 4.095 4.350 -0.000 0.000 0.198 274 E C 1.732 178.152 176.600 -0.301 0.000 0.998 274 E CA 1.299 57.497 56.400 -0.336 0.000 0.818 274 E CB -0.613 28.954 29.700 -0.222 0.000 0.741 274 E HN 0.560 nan 8.360 nan 0.000 0.477 275 R N 0.151 120.509 120.500 -0.237 0.000 2.103 275 R HA -0.158 4.182 4.340 -0.000 0.000 0.242 275 R C 2.419 178.521 176.300 -0.331 0.000 1.142 275 R CA 2.355 58.413 56.100 -0.071 0.000 0.960 275 R CB -0.524 29.935 30.300 0.264 0.000 0.858 275 R HN 0.482 nan 8.270 nan 0.000 0.439 276 F N -2.605 117.076 119.950 -0.448 0.000 2.694 276 F HA 0.277 4.804 4.527 -0.000 0.000 0.292 276 F C 1.626 177.269 175.800 -0.261 0.000 1.121 276 F CA -0.252 57.414 58.000 -0.557 0.000 1.352 276 F CB -0.367 38.224 39.000 -0.682 0.000 1.107 276 F HN -0.204 nan 8.300 nan 0.000 0.597 277 L N 1.287 122.195 121.223 -0.525 0.000 2.141 277 L HA 0.044 4.384 4.340 -0.000 0.000 0.209 277 L C 2.738 179.713 176.870 0.176 0.000 1.094 277 L CA 1.266 56.061 54.840 -0.075 0.000 0.763 277 L CB -1.074 40.895 42.059 -0.150 0.000 0.908 277 L HN 0.456 nan 8.230 nan 0.000 0.437 278 G N 0.925 109.739 108.800 0.025 0.000 2.480 278 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.216 278 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.216 278 G C -0.828 174.000 174.900 -0.119 0.000 1.200 278 G CA 0.724 45.876 45.100 0.087 0.000 0.782 278 G HN 0.310 nan 8.290 nan 0.000 0.554 279 P HA 0.031 nan 4.420 nan 0.000 0.223 279 P C 1.393 178.690 177.300 -0.004 0.000 1.151 279 P CA 1.142 63.995 63.100 -0.412 0.000 0.787 279 P CB 0.164 31.510 31.700 -0.589 0.000 0.788 280 E N 0.863 121.108 120.200 0.074 0.000 2.171 280 E HA -0.194 4.156 4.350 -0.000 0.000 0.197 280 E C 1.659 178.268 176.600 0.015 0.000 0.997 280 E CA 0.974 57.486 56.400 0.186 0.000 0.810 280 E CB -1.276 28.552 29.700 0.214 0.000 0.738 280 E HN 0.339 nan 8.360 nan 0.000 0.467 281 I N -2.451 118.026 120.570 -0.155 0.000 2.850 281 I HA -0.137 4.033 4.170 -0.000 0.000 0.266 281 I C 1.450 177.423 176.117 -0.240 0.000 1.257 281 I CA 0.688 61.806 61.300 -0.304 0.000 1.465 281 I CB -0.409 37.336 38.000 -0.425 0.000 1.091 281 I HN -0.109 nan 8.210 nan 0.000 0.467 282 F N 1.600 121.394 119.950 -0.260 0.000 2.186 282 F HA 0.000 4.527 4.527 -0.001 0.000 0.299 282 F C 1.838 177.282 175.800 -0.593 0.000 1.090 282 F CA 1.609 59.351 58.000 -0.430 0.000 1.307 282 F CB -0.531 38.116 39.000 -0.589 0.000 1.019 282 F HN 0.030 nan 8.300 nan 0.000 0.489 283 F N -2.403 117.548 119.950 0.002 0.000 2.698 283 F HA 0.089 4.616 4.527 -0.001 0.000 0.295 283 F C 0.519 175.992 175.800 -0.546 0.000 1.124 283 F CA 0.538 58.382 58.000 -0.259 0.000 1.426 283 F CB -0.447 38.360 39.000 -0.321 0.000 1.120 283 F HN -0.077 nan 8.300 nan 0.000 0.583 284 H N -1.254 117.713 119.070 -0.172 0.000 2.439 284 H HA 0.212 4.767 4.556 -0.001 0.000 0.228 284 H C -2.031 173.059 175.328 -0.398 0.000 1.423 284 H CA -1.512 54.296 56.048 -0.401 0.000 1.386 284 H CB 0.523 29.703 29.762 -0.970 0.000 1.641 284 H HN -0.153 nan 8.280 nan 0.000 0.508 285 P HA -0.295 nan 4.420 nan 0.000 0.218 285 P C 1.541 178.858 177.300 0.028 0.000 1.152 285 P CA 1.584 64.688 63.100 0.008 0.000 0.857 285 P CB 0.288 32.131 31.700 0.238 0.000 0.787 286 E N -1.318 118.929 120.200 0.079 0.000 2.331 286 E HA -0.218 4.132 4.350 -0.000 0.000 0.199 286 E C 1.310 178.056 176.600 0.243 0.000 1.008 286 E CA 0.895 57.383 56.400 0.146 0.000 0.843 286 E CB -0.981 28.811 29.700 0.155 0.000 0.761 286 E HN 0.144 nan 8.360 nan 0.000 0.507 287 F N 1.497 121.403 119.950 -0.073 0.000 2.171 287 F HA -0.011 4.516 4.527 -0.001 0.000 0.300 287 F C 2.333 177.996 175.800 -0.229 0.000 1.090 287 F CA 1.061 58.978 58.000 -0.138 0.000 1.293 287 F CB -0.454 38.409 39.000 -0.229 0.000 1.013 287 F HN 0.232 nan 8.300 nan 0.000 0.486 288 A N -1.729 121.020 122.820 -0.119 0.000 2.498 288 A HA 0.181 4.500 4.320 -0.000 0.000 0.238 288 A C 0.435 178.024 177.584 0.009 0.000 1.225 288 A CA -0.234 51.727 52.037 -0.128 0.000 0.978 288 A CB -0.223 18.528 19.000 -0.416 0.000 1.142 288 A HN 0.279 nan 8.150 nan 0.000 0.552 289 N N 0.307 119.020 118.700 0.023 0.000 2.354 289 N HA 0.427 5.166 4.740 -0.000 0.000 0.287 289 N C -2.448 173.109 175.510 0.077 0.000 1.016 289 N CA -1.711 51.373 53.050 0.057 0.000 0.871 289 N CB 2.169 40.700 38.487 0.072 0.000 1.299 289 N HN -0.167 nan 8.380 nan 0.000 0.482 290 P HA 0.110 nan 4.420 nan 0.000 0.235 290 P C -0.287 177.047 177.300 0.058 0.000 1.177 290 P CA 0.599 63.734 63.100 0.058 0.000 0.785 290 P CB 0.454 32.183 31.700 0.048 0.000 0.885 291 D N -1.980 118.467 120.400 0.078 0.000 2.379 291 D HA 0.129 4.769 4.640 -0.000 0.000 0.208 291 D C -0.186 176.204 176.300 0.151 0.000 1.065 291 D CA 0.275 54.328 54.000 0.087 0.000 0.848 291 D CB 0.225 41.071 40.800 0.076 0.000 0.949 291 D HN 0.148 nan 8.370 nan 0.000 0.509 292 F N 0.680 120.623 119.950 -0.012 0.000 2.565 292 F HA 0.352 4.880 4.527 0.002 0.000 0.313 292 F C 0.755 176.551 175.800 -0.006 0.000 1.091 292 F CA -0.483 57.508 58.000 -0.014 0.000 0.915 292 F CB 2.168 41.153 39.000 -0.027 0.000 1.208 292 F HN -0.218 nan 8.300 nan 0.000 0.453 293 T N -0.228 113.999 114.554 -0.545 0.000 3.131 293 T HA 0.185 4.534 4.350 -0.000 0.000 0.283 293 T C 0.114 174.615 174.700 -0.331 0.000 0.906 293 T CA -0.167 61.768 62.100 -0.275 0.000 0.882 293 T CB -0.194 68.583 68.868 -0.152 0.000 1.208 293 T HN 0.535 nan 8.240 nan 0.000 0.561 294 Q N 2.838 122.225 119.800 -0.689 0.000 2.271 294 Q HA 0.242 4.582 4.340 -0.000 0.000 0.273 294 Q C -2.552 173.411 176.000 -0.062 0.000 1.051 294 Q CA -1.544 54.053 55.803 -0.344 0.000 0.901 294 Q CB 0.725 29.238 28.738 -0.375 0.000 1.174 294 Q HN 0.290 nan 8.270 nan 0.000 0.385 295 P HA -0.046 nan 4.420 nan 0.000 0.268 295 P C 0.621 177.937 177.300 0.026 0.000 1.204 295 P CA 0.205 63.293 63.100 -0.019 0.000 0.768 295 P CB 0.550 32.221 31.700 -0.049 0.000 0.842 296 I N 2.965 123.530 120.570 -0.009 0.000 2.236 296 I HA -0.362 3.808 4.170 -0.000 0.000 0.249 296 I C 1.806 177.918 176.117 -0.007 0.000 1.102 296 I CA 2.275 63.558 61.300 -0.028 0.000 1.365 296 I CB -0.072 37.800 38.000 -0.214 0.000 1.051 296 I HN 0.377 nan 8.210 nan 0.000 0.420 297 S N -0.150 115.565 115.700 0.026 0.000 2.382 297 S HA -0.254 4.216 4.470 -0.000 0.000 0.228 297 S C 1.818 176.448 174.600 0.049 0.000 1.027 297 S CA 1.481 59.711 58.200 0.051 0.000 0.991 297 S CB -0.602 62.643 63.200 0.075 0.000 0.823 297 S HN 0.610 nan 8.310 nan 0.000 0.469 298 E N 0.775 120.999 120.200 0.040 0.000 2.047 298 E HA -0.058 4.292 4.350 -0.000 0.000 0.191 298 E C 2.171 178.802 176.600 0.051 0.000 0.987 298 E CA 1.222 57.645 56.400 0.039 0.000 0.799 298 E CB -0.329 29.380 29.700 0.015 0.000 0.752 298 E HN 0.403 nan 8.360 nan 0.000 0.449 299 V N 0.935 120.886 119.914 0.062 0.000 2.392 299 V HA -0.251 3.869 4.120 -0.000 0.000 0.249 299 V C 2.323 178.450 176.094 0.056 0.000 1.059 299 V CA 1.337 63.686 62.300 0.081 0.000 1.051 299 V CB -0.426 31.475 31.823 0.130 0.000 0.658 299 V HN 0.146 nan 8.190 nan 0.000 0.455 300 V N 0.339 120.281 119.914 0.047 0.000 2.358 300 V HA -0.270 3.850 4.120 -0.000 0.000 0.246 300 V C 2.341 178.456 176.094 0.036 0.000 1.047 300 V CA 2.331 64.651 62.300 0.033 0.000 1.035 300 V CB -0.639 31.209 31.823 0.042 0.000 0.658 300 V HN 0.630 nan 8.190 nan 0.000 0.452 301 D N 0.207 120.658 120.400 0.085 0.000 2.087 301 D HA -0.247 4.393 4.640 -0.000 0.000 0.192 301 D C 2.216 178.559 176.300 0.071 0.000 0.993 301 D CA 1.921 56.002 54.000 0.136 0.000 0.828 301 D CB -0.205 40.673 40.800 0.130 0.000 0.968 301 D HN 0.534 nan 8.370 nan 0.000 0.448 302 E N -0.540 119.693 120.200 0.054 0.000 2.114 302 E HA -0.202 4.147 4.350 -0.000 0.000 0.199 302 E C 2.135 178.747 176.600 0.019 0.000 1.008 302 E CA 1.444 57.868 56.400 0.040 0.000 0.810 302 E CB -0.024 29.701 29.700 0.043 0.000 0.739 302 E HN 0.184 nan 8.360 nan 0.000 0.456 303 V N 1.008 120.926 119.914 0.007 0.000 2.307 303 V HA -0.241 3.879 4.120 -0.000 0.000 0.245 303 V C 2.356 178.416 176.094 -0.058 0.000 1.045 303 V CA 1.704 63.996 62.300 -0.013 0.000 1.024 303 V CB -0.349 31.466 31.823 -0.012 0.000 0.651 303 V HN 0.355 nan 8.190 nan 0.000 0.449 304 I N -0.418 120.076 120.570 -0.127 0.000 2.361 304 I HA -0.223 3.947 4.170 -0.000 0.000 0.251 304 I C 2.636 178.661 176.117 -0.153 0.000 1.133 304 I CA 1.065 62.213 61.300 -0.253 0.000 1.413 304 I CB -0.395 37.201 38.000 -0.672 0.000 1.073 304 I HN 0.328 nan 8.210 nan 0.000 0.424 305 Q N 0.600 120.368 119.800 -0.054 0.000 2.167 305 Q HA -0.122 4.217 4.340 -0.000 0.000 0.202 305 Q C 1.792 177.797 176.000 0.008 0.000 0.970 305 Q CA 1.171 56.984 55.803 0.016 0.000 0.855 305 Q CB -0.423 28.349 28.738 0.056 0.000 0.911 305 Q HN 0.509 nan 8.270 nan 0.000 0.438 306 N N -0.532 118.168 118.700 -0.001 0.000 2.459 306 N HA -0.048 4.692 4.740 -0.000 0.000 0.181 306 N C 0.311 175.821 175.510 0.001 0.000 1.046 306 N CA 0.160 53.214 53.050 0.006 0.000 0.904 306 N CB -0.090 38.403 38.487 0.011 0.000 0.964 306 N HN 0.135 nan 8.380 nan 0.000 0.444 307 C N 1.345 120.636 119.300 -0.015 0.000 2.520 307 C HA 0.276 4.736 4.460 -0.000 0.000 0.376 307 C C -1.937 173.052 174.990 -0.003 0.000 1.268 307 C CA -1.311 57.699 59.018 -0.013 0.000 2.414 307 C CB 0.703 28.422 27.740 -0.034 0.000 2.521 307 C HN 0.205 nan 8.230 nan 0.000 0.618 308 P HA -0.053 nan 4.420 nan 0.000 0.255 308 P C 0.889 178.198 177.300 0.016 0.000 1.161 308 P CA 0.485 63.592 63.100 0.013 0.000 0.768 308 P CB 0.105 31.814 31.700 0.015 0.000 0.746 309 I N 5.176 125.759 120.570 0.022 0.000 2.130 309 I HA -0.379 3.791 4.170 -0.000 0.000 0.241 309 I C 1.351 177.489 176.117 0.036 0.000 1.023 309 I CA 2.312 63.631 61.300 0.032 0.000 1.293 309 I CB -0.689 37.330 38.000 0.031 0.000 1.001 309 I HN 0.396 nan 8.210 nan 0.000 0.407 310 D N -0.479 119.939 120.400 0.031 0.000 2.351 310 D HA -0.141 4.499 4.640 -0.000 0.000 0.216 310 D C 1.902 178.223 176.300 0.035 0.000 0.968 310 D CA 1.193 55.213 54.000 0.033 0.000 0.899 310 D CB -0.845 39.972 40.800 0.029 0.000 0.907 310 D HN 0.385 nan 8.370 nan 0.000 0.514 311 V N -0.558 119.373 119.914 0.029 0.000 3.643 311 V HA 0.121 4.241 4.120 -0.000 0.000 0.280 311 V C 1.954 178.056 176.094 0.012 0.000 1.351 311 V CA 0.041 62.356 62.300 0.024 0.000 1.073 311 V CB -0.149 31.685 31.823 0.020 0.000 0.863 311 V HN -0.028 nan 8.190 nan 0.000 0.436 312 R N 0.475 120.983 120.500 0.014 0.000 2.091 312 R HA -0.195 4.145 4.340 -0.000 0.000 0.238 312 R C 2.516 178.864 176.300 0.080 0.000 1.136 312 R CA 2.170 58.265 56.100 -0.010 0.000 0.959 312 R CB -0.552 29.779 30.300 0.051 0.000 0.856 312 R HN 0.554 nan 8.270 nan 0.000 0.437 313 R N 1.130 121.715 120.500 0.143 0.000 2.073 313 R HA -0.066 4.274 4.340 -0.000 0.000 0.234 313 R C -0.409 175.974 176.300 0.137 0.000 1.134 313 R CA 1.337 57.548 56.100 0.186 0.000 0.952 313 R CB -2.131 28.239 30.300 0.118 0.000 0.850 313 R HN 0.267 nan 8.270 nan 0.000 0.433 314 P HA -0.113 nan 4.420 nan 0.000 0.216 314 P C 1.274 178.609 177.300 0.058 0.000 1.150 314 P CA 0.854 63.993 63.100 0.065 0.000 0.837 314 P CB -0.063 31.666 31.700 0.049 0.000 0.786 315 L N -2.613 118.621 121.223 0.020 0.000 1.988 315 L HA -0.196 4.144 4.340 -0.000 0.000 0.207 315 L C 2.446 179.321 176.870 0.009 0.000 1.071 315 L CA 1.674 56.493 54.840 -0.034 0.000 0.744 315 L CB -1.188 40.780 42.059 -0.153 0.000 0.893 315 L HN -0.036 nan 8.230 nan 0.000 0.433 316 Y N 0.840 121.156 120.300 0.027 0.000 2.241 316 Y HA -0.307 4.242 4.550 -0.001 0.000 0.286 316 Y C 2.812 178.728 175.900 0.025 0.000 1.166 316 Y CA 1.946 60.060 58.100 0.023 0.000 1.203 316 Y CB -0.927 37.544 38.460 0.018 0.000 0.977 316 Y HN 0.192 nan 8.280 nan 0.000 0.529 317 K N 0.382 120.894 120.400 0.186 0.000 2.432 317 K HA -0.000 4.320 4.320 -0.000 0.000 0.196 317 K C 0.694 177.351 176.600 0.096 0.000 1.038 317 K CA 1.212 57.569 56.287 0.118 0.000 0.986 317 K CB -0.526 32.030 32.500 0.093 0.000 0.782 317 K HN 0.554 nan 8.250 nan 0.000 0.485 318 N N 0.417 119.172 118.700 0.092 0.000 2.733 318 N HA 0.265 5.005 4.740 -0.000 0.000 0.271 318 N C -1.456 174.097 175.510 0.072 0.000 1.720 318 N CA -0.251 52.848 53.050 0.082 0.000 0.803 318 N CB 0.417 38.953 38.487 0.082 0.000 1.208 318 N HN 0.229 nan 8.380 nan 0.000 0.498 319 I N 2.288 122.905 120.570 0.078 0.000 2.291 319 I HA 0.227 4.397 4.170 -0.000 0.000 0.292 319 I C 0.059 176.224 176.117 0.080 0.000 1.064 319 I CA -0.576 60.765 61.300 0.069 0.000 1.269 319 I CB 1.133 39.179 38.000 0.076 0.000 1.418 319 I HN -0.077 nan 8.210 nan 0.000 0.485 320 V N 7.442 127.400 119.914 0.073 0.000 2.612 320 V HA 0.425 4.545 4.120 -0.000 0.000 0.301 320 V C 0.270 176.422 176.094 0.097 0.000 1.046 320 V CA -0.667 61.691 62.300 0.097 0.000 0.946 320 V CB 2.068 33.938 31.823 0.078 0.000 1.003 320 V HN 0.492 nan 8.190 nan 0.000 0.459 321 L N 3.001 124.293 121.223 0.116 0.000 2.343 321 L HA 0.754 5.094 4.340 -0.000 0.000 0.275 321 L C 0.088 176.981 176.870 0.038 0.000 1.056 321 L CA 0.018 54.896 54.840 0.063 0.000 0.804 321 L CB 1.809 43.890 42.059 0.038 0.000 1.203 321 L HN 0.740 nan 8.230 nan 0.000 0.440 322 S N 1.059 116.755 115.700 -0.008 0.000 2.548 322 S HA 0.791 5.261 4.470 -0.000 0.000 0.278 322 S C -0.724 173.858 174.600 -0.029 0.000 1.150 322 S CA 0.182 58.383 58.200 0.001 0.000 0.907 322 S CB 1.624 64.855 63.200 0.051 0.000 1.108 322 S HN 1.193 nan 8.310 nan 0.000 0.459 323 G N 1.996 110.773 108.800 -0.038 0.000 2.576 323 G HA2 0.298 4.258 3.960 -0.000 0.000 0.686 323 G HA3 0.298 4.258 3.960 -0.000 0.000 0.686 323 G C 0.717 175.546 174.900 -0.119 0.000 1.242 323 G CA -0.043 45.037 45.100 -0.034 0.000 0.819 323 G HN 1.563 nan 8.290 nan 0.000 0.655 324 G N -0.027 108.717 108.800 -0.092 0.000 2.469 324 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.219 324 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.219 324 G C 1.893 176.647 174.900 -0.244 0.000 1.150 324 G CA 1.958 46.954 45.100 -0.173 0.000 0.763 324 G HN 1.538 nan 8.290 nan 0.000 0.561 325 S N 0.172 115.791 115.700 -0.135 0.000 2.727 325 S HA 0.040 4.510 4.470 -0.000 0.000 0.226 325 S C 1.980 176.473 174.600 -0.177 0.000 0.963 325 S CA 1.224 59.380 58.200 -0.075 0.000 0.950 325 S CB -0.144 63.167 63.200 0.185 0.000 0.779 325 S HN 0.712 nan 8.310 nan 0.000 0.532 326 T N -2.279 112.051 114.554 -0.374 0.000 3.044 326 T HA 0.275 4.625 4.350 -0.000 0.000 0.260 326 T C 1.282 175.739 174.700 -0.404 0.000 1.019 326 T CA -0.254 61.469 62.100 -0.628 0.000 0.921 326 T CB -0.080 68.512 68.868 -0.460 0.000 1.053 326 T HN 0.098 nan 8.240 nan 0.000 0.533 327 M N 1.059 120.419 119.600 -0.400 0.000 2.619 327 M HA 0.356 4.836 4.480 -0.000 0.000 0.251 327 M C -0.333 175.850 176.300 -0.195 0.000 1.106 327 M CA -0.654 54.459 55.300 -0.312 0.000 1.086 327 M CB -1.347 31.035 32.600 -0.363 0.000 1.465 327 M HN 0.247 nan 8.290 nan 0.000 0.506 328 F N 1.423 121.393 119.950 0.033 0.000 2.578 328 F HA 0.073 4.600 4.527 0.000 0.000 0.376 328 F C 1.386 177.326 175.800 0.233 0.000 1.085 328 F CA -0.053 58.050 58.000 0.172 0.000 1.260 328 F CB -0.117 39.043 39.000 0.266 0.000 1.095 328 F HN 0.031 nan 8.300 nan 0.000 0.573 329 R N 3.440 124.190 120.500 0.417 0.000 2.538 329 R HA -0.085 4.255 4.340 -0.000 0.000 0.282 329 R C 0.227 176.737 176.300 0.351 0.000 1.009 329 R CA 0.526 56.817 56.100 0.318 0.000 1.063 329 R CB 0.021 30.488 30.300 0.277 0.000 0.945 329 R HN 0.839 nan 8.270 nan 0.000 0.414 330 D N 2.645 123.198 120.400 0.255 0.000 3.028 330 D HA -0.280 4.360 4.640 -0.000 0.000 0.207 330 D C 0.551 176.995 176.300 0.239 0.000 1.100 330 D CA 1.314 55.438 54.000 0.206 0.000 0.995 330 D CB -1.198 39.710 40.800 0.179 0.000 1.108 330 D HN 0.591 nan 8.370 nan 0.000 0.421 331 F N 1.244 121.318 119.950 0.207 0.000 2.095 331 F HA -0.090 4.437 4.527 0.000 0.000 0.298 331 F C 2.336 178.242 175.800 0.176 0.000 1.104 331 F CA 2.615 60.765 58.000 0.250 0.000 1.232 331 F CB -0.378 38.770 39.000 0.246 0.000 0.987 331 F HN 0.046 nan 8.300 nan 0.000 0.475 332 G N -0.354 108.575 108.800 0.215 0.000 2.422 332 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.218 332 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.218 332 G C 1.746 176.644 174.900 -0.004 0.000 1.140 332 G CA 0.625 45.774 45.100 0.080 0.000 0.775 332 G HN 0.370 nan 8.290 nan 0.000 0.545 333 R N 0.150 120.657 120.500 0.013 0.000 2.062 333 R HA -0.047 4.293 4.340 -0.000 0.000 0.231 333 R C 2.583 178.830 176.300 -0.087 0.000 1.136 333 R CA 1.546 57.635 56.100 -0.019 0.000 0.948 333 R CB -0.226 30.078 30.300 0.007 0.000 0.845 333 R HN 0.244 nan 8.270 nan 0.000 0.430 334 R N 0.816 121.226 120.500 -0.150 0.000 2.081 334 R HA -0.074 4.265 4.340 -0.000 0.000 0.235 334 R C 2.162 178.282 176.300 -0.301 0.000 1.131 334 R CA 1.529 57.430 56.100 -0.331 0.000 0.960 334 R CB -0.810 29.132 30.300 -0.597 0.000 0.856 334 R HN 0.399 nan 8.270 nan 0.000 0.436 335 L N 0.127 121.237 121.223 -0.188 0.000 2.017 335 L HA -0.213 4.127 4.340 -0.000 0.000 0.208 335 L C 2.569 179.406 176.870 -0.055 0.000 1.073 335 L CA 2.009 56.804 54.840 -0.075 0.000 0.745 335 L CB -0.439 41.503 42.059 -0.196 0.000 0.894 335 L HN 0.463 nan 8.230 nan 0.000 0.432 336 Q N -0.180 119.588 119.800 -0.054 0.000 2.030 336 Q HA -0.314 4.026 4.340 -0.000 0.000 0.204 336 Q C 2.378 178.353 176.000 -0.041 0.000 0.986 336 Q CA 2.105 57.893 55.803 -0.025 0.000 0.843 336 Q CB -0.189 28.540 28.738 -0.014 0.000 0.904 336 Q HN 0.358 nan 8.270 nan 0.000 0.420 337 R N -0.008 120.452 120.500 -0.067 0.000 2.097 337 R HA -0.201 4.139 4.340 -0.000 0.000 0.236 337 R C 1.734 177.989 176.300 -0.074 0.000 1.135 337 R CA 2.196 58.252 56.100 -0.073 0.000 0.934 337 R CB -0.321 29.922 30.300 -0.095 0.000 0.846 337 R HN 0.377 nan 8.270 nan 0.000 0.431 338 D N 0.556 120.898 120.400 -0.096 0.000 2.116 338 D HA -0.193 4.447 4.640 -0.000 0.000 0.193 338 D C 1.812 178.094 176.300 -0.030 0.000 0.998 338 D CA 1.001 54.958 54.000 -0.072 0.000 0.836 338 D CB -0.311 40.441 40.800 -0.080 0.000 0.951 338 D HN 0.174 nan 8.370 nan 0.000 0.449 339 L N 1.033 122.250 121.223 -0.011 0.000 2.083 339 L HA -0.121 4.219 4.340 -0.000 0.000 0.209 339 L C 1.845 178.699 176.870 -0.026 0.000 1.083 339 L CA 1.702 56.551 54.840 0.015 0.000 0.752 339 L CB -0.243 41.851 42.059 0.058 0.000 0.899 339 L HN -0.114 nan 8.230 nan 0.000 0.433 340 K N -0.790 119.582 120.400 -0.046 0.000 2.057 340 K HA -0.156 4.163 4.320 -0.000 0.000 0.207 340 K C 2.220 178.781 176.600 -0.065 0.000 1.049 340 K CA 1.452 57.696 56.287 -0.072 0.000 0.931 340 K CB -0.137 32.327 32.500 -0.060 0.000 0.714 340 K HN 0.339 nan 8.250 nan 0.000 0.440 341 R N 0.172 120.642 120.500 -0.049 0.000 2.080 341 R HA -0.110 4.230 4.340 -0.000 0.000 0.236 341 R C 2.444 178.722 176.300 -0.036 0.000 1.137 341 R CA 1.964 58.039 56.100 -0.041 0.000 0.943 341 R CB -0.554 29.724 30.300 -0.037 0.000 0.846 341 R HN 0.166 nan 8.270 nan 0.000 0.431 342 T N 0.614 115.151 114.554 -0.027 0.000 2.720 342 T HA -0.121 4.229 4.350 -0.000 0.000 0.268 342 T C 1.952 176.636 174.700 -0.027 0.000 1.037 342 T CA 1.421 63.511 62.100 -0.015 0.000 1.144 342 T CB -0.176 68.695 68.868 0.006 0.000 0.864 342 T HN -0.008 nan 8.240 nan 0.000 0.444 343 V N 1.627 121.505 119.914 -0.060 0.000 2.229 343 V HA -0.171 3.949 4.120 -0.000 0.000 0.243 343 V C 2.341 178.383 176.094 -0.086 0.000 1.042 343 V CA 1.956 64.192 62.300 -0.108 0.000 1.000 343 V CB -0.701 30.969 31.823 -0.254 0.000 0.637 343 V HN 0.373 nan 8.190 nan 0.000 0.446 344 D N 0.341 120.690 120.400 -0.085 0.000 2.149 344 D HA -0.203 4.437 4.640 -0.000 0.000 0.194 344 D C 2.115 178.391 176.300 -0.041 0.000 1.001 344 D CA 1.794 55.757 54.000 -0.062 0.000 0.849 344 D CB -0.368 40.399 40.800 -0.055 0.000 0.939 344 D HN 0.445 nan 8.370 nan 0.000 0.449 345 A N 0.204 123.004 122.820 -0.034 0.000 1.898 345 A HA -0.179 4.141 4.320 -0.000 0.000 0.216 345 A C 2.144 179.717 177.584 -0.017 0.000 1.181 345 A CA 1.649 53.673 52.037 -0.022 0.000 0.620 345 A CB -0.484 18.506 19.000 -0.017 0.000 0.819 345 A HN 0.144 nan 8.150 nan 0.000 0.442 346 R N -0.853 119.636 120.500 -0.018 0.000 2.075 346 R HA -0.063 4.277 4.340 -0.000 0.000 0.232 346 R C 1.390 177.683 176.300 -0.012 0.000 1.126 346 R CA 1.327 57.421 56.100 -0.010 0.000 0.963 346 R CB -0.314 29.984 30.300 -0.003 0.000 0.858 346 R HN 0.384 nan 8.270 nan 0.000 0.435 347 L N 1.115 122.325 121.223 -0.023 0.000 2.551 347 L HA -0.002 4.338 4.340 -0.000 0.000 0.228 347 L C 2.165 179.025 176.870 -0.016 0.000 1.153 347 L CA 1.322 56.149 54.840 -0.021 0.000 0.851 347 L CB -0.322 41.717 42.059 -0.033 0.000 0.959 347 L HN 0.148 nan 8.230 nan 0.000 0.451 348 K N -0.312 120.078 120.400 -0.016 0.000 2.076 348 K HA -0.087 4.233 4.320 -0.000 0.000 0.204 348 K C 1.865 178.460 176.600 -0.008 0.000 1.051 348 K CA 0.835 57.115 56.287 -0.013 0.000 0.949 348 K CB 0.032 32.524 32.500 -0.014 0.000 0.726 348 K HN 0.120 nan 8.250 nan 0.000 0.443 349 L N 1.254 122.473 121.223 -0.006 0.000 2.450 349 L HA -0.086 4.253 4.340 -0.000 0.000 0.224 349 L C 2.002 178.871 176.870 -0.002 0.000 1.149 349 L CA 1.120 55.959 54.840 -0.003 0.000 0.816 349 L CB -0.211 41.847 42.059 -0.001 0.000 0.932 349 L HN 0.118 nan 8.230 nan 0.000 0.449 350 S N -0.792 114.906 115.700 -0.002 0.000 2.341 350 S HA -0.107 4.363 4.470 -0.000 0.000 0.216 350 S C 2.309 176.908 174.600 -0.001 0.000 1.034 350 S CA 1.046 59.245 58.200 -0.000 0.000 0.964 350 S CB -0.322 62.878 63.200 -0.000 0.000 0.882 350 S HN 0.563 nan 8.310 nan 0.000 0.469 351 E N 1.299 121.497 120.200 -0.003 0.000 2.118 351 E HA -0.176 4.173 4.350 -0.000 0.000 0.195 351 E C 1.932 178.531 176.600 -0.003 0.000 0.992 351 E CA 1.973 58.371 56.400 -0.003 0.000 0.804 351 E CB -1.612 28.085 29.700 -0.005 0.000 0.741 351 E HN 0.761 nan 8.360 nan 0.000 0.458 352 E N -0.081 120.117 120.200 -0.003 0.000 2.006 352 E HA 0.127 4.477 4.350 -0.000 0.000 0.192 352 E C 2.707 179.306 176.600 -0.001 0.000 0.993 352 E CA 2.509 58.907 56.400 -0.002 0.000 0.808 352 E CB -1.509 28.190 29.700 -0.003 0.000 0.764 352 E HN 1.251 nan 8.360 nan 0.000 0.449 353 L N 0.663 121.886 121.223 -0.001 0.000 2.043 353 L HA 0.310 4.650 4.340 -0.000 0.000 0.212 353 L C 2.521 179.392 176.870 0.001 0.000 1.075 353 L CA 2.657 57.497 54.840 0.000 0.000 0.752 353 L CB -2.061 39.998 42.059 0.001 0.000 0.891 353 L HN 0.819 nan 8.230 nan 0.000 0.432 360 P HA 0.445 nan 4.420 nan 0.000 0.276 360 P C 0.302 177.598 177.300 -0.006 0.000 1.243 360 P CA -0.201 62.898 63.100 -0.002 0.000 0.768 360 P CB 1.269 32.967 31.700 -0.003 0.000 0.856 361 K N 3.819 124.217 120.400 -0.003 0.000 2.527 361 K HA 0.160 4.480 4.320 -0.000 0.000 0.278 361 K C -2.086 174.505 176.600 -0.015 0.000 0.981 361 K CA -0.892 55.392 56.287 -0.005 0.000 1.009 361 K CB -1.664 30.837 32.500 0.001 0.000 0.895 361 K HN 0.449 nan 8.250 nan 0.000 0.493 362 P HA 0.163 nan 4.420 nan 0.000 0.269 362 P C -0.445 176.827 177.300 -0.047 0.000 1.217 362 P CA -0.233 62.845 63.100 -0.036 0.000 0.783 362 P CB 0.366 32.048 31.700 -0.031 0.000 0.898 363 I N 1.680 122.198 120.570 -0.087 0.000 2.339 363 I HA 0.147 4.317 4.170 -0.000 0.000 0.290 363 I C 0.240 176.284 176.117 -0.122 0.000 0.994 363 I CA -0.471 60.751 61.300 -0.129 0.000 1.191 363 I CB 1.160 38.995 38.000 -0.276 0.000 1.343 363 I HN 0.225 nan 8.210 nan 0.000 0.458 364 D N 7.192 127.556 120.400 -0.061 0.000 2.441 364 D HA 0.180 4.820 4.640 -0.000 0.000 0.221 364 D C -0.586 175.712 176.300 -0.004 0.000 1.156 364 D CA -0.159 53.825 54.000 -0.027 0.000 0.896 364 D CB 0.797 41.601 40.800 0.006 0.000 1.028 364 D HN 0.051 nan 8.370 nan 0.000 0.509 365 V N 4.664 124.557 119.914 -0.035 0.000 2.432 365 V HA 0.262 4.382 4.120 -0.000 0.000 0.271 365 V C 0.315 176.435 176.094 0.044 0.000 1.046 365 V CA -0.304 62.009 62.300 0.022 0.000 0.945 365 V CB 1.123 32.930 31.823 -0.027 0.000 0.992 365 V HN 0.473 nan 8.190 nan 0.000 0.471 366 Q N 3.531 123.378 119.800 0.077 0.000 2.290 366 Q HA 0.491 4.831 4.340 -0.000 0.000 0.269 366 Q C -1.584 174.460 176.000 0.072 0.000 1.016 366 Q CA -0.446 55.395 55.803 0.062 0.000 0.754 366 Q CB 2.433 31.206 28.738 0.059 0.000 1.247 366 Q HN 0.604 nan 8.270 nan 0.000 0.451 367 V N 5.435 125.385 119.914 0.060 0.000 2.348 367 V HA 0.275 4.395 4.120 -0.000 0.000 0.270 367 V C -0.005 176.134 176.094 0.075 0.000 1.037 367 V CA -0.556 61.785 62.300 0.068 0.000 0.872 367 V CB 0.949 32.804 31.823 0.052 0.000 1.002 367 V HN 0.656 nan 8.190 nan 0.000 0.464 368 I N 5.346 125.972 120.570 0.093 0.000 2.352 368 I HA 0.325 4.495 4.170 -0.000 0.000 0.290 368 I C 0.702 176.897 176.117 0.131 0.000 1.036 368 I CA 0.232 61.598 61.300 0.111 0.000 1.336 368 I CB 1.073 39.150 38.000 0.129 0.000 1.407 368 I HN 0.710 nan 8.210 nan 0.000 0.497 369 T N 4.554 119.160 114.554 0.087 0.000 2.841 369 T HA 0.717 5.067 4.350 -0.000 0.000 0.283 369 T C -0.442 174.245 174.700 -0.022 0.000 1.000 369 T CA -0.672 61.425 62.100 -0.006 0.000 0.977 369 T CB 2.050 70.899 68.868 -0.032 0.000 0.979 369 T HN 0.713 nan 8.240 nan 0.000 0.446 370 H N 0.907 119.907 119.070 -0.116 0.000 2.960 370 H HA 0.452 5.007 4.556 -0.000 0.000 0.338 370 H C 0.024 175.213 175.328 -0.232 0.000 1.261 370 H CA -0.803 55.137 56.048 -0.181 0.000 1.136 370 H CB 0.640 30.350 29.762 -0.088 0.000 1.875 370 H HN 0.609 nan 8.280 nan 0.000 0.550 371 H N 0.387 119.442 119.070 -0.025 0.000 2.395 371 H HA 0.015 4.571 4.556 0.000 0.000 0.299 371 H C 1.638 176.866 175.328 -0.168 0.000 1.070 371 H CA 1.199 57.179 56.048 -0.114 0.000 1.356 371 H CB 0.381 30.097 29.762 -0.077 0.000 1.401 371 H HN 0.359 nan 8.280 nan 0.000 0.524 372 M N 1.100 120.719 119.600 0.030 0.000 2.686 372 M HA -0.059 4.421 4.480 -0.000 0.000 0.246 372 M C 1.822 178.092 176.300 -0.050 0.000 1.096 372 M CA 0.484 55.728 55.300 -0.093 0.000 1.076 372 M CB -0.816 31.513 32.600 -0.451 0.000 1.504 372 M HN 0.287 nan 8.290 nan 0.000 0.524 373 Q N 0.424 120.047 119.800 -0.295 0.000 2.142 373 Q HA -0.275 4.065 4.340 -0.000 0.000 0.213 373 Q C 2.177 178.061 176.000 -0.193 0.000 1.004 373 Q CA 2.202 57.805 55.803 -0.333 0.000 0.883 373 Q CB -0.488 27.948 28.738 -0.504 0.000 0.939 373 Q HN 0.537 nan 8.270 nan 0.000 0.413 374 R N -0.123 120.187 120.500 -0.318 0.000 2.117 374 R HA -0.177 4.163 4.340 -0.000 0.000 0.243 374 R C 0.552 176.644 176.300 -0.347 0.000 1.143 374 R CA 1.602 57.420 56.100 -0.470 0.000 0.968 374 R CB 0.009 29.810 30.300 -0.831 0.000 0.863 374 R HN 0.392 nan 8.270 nan 0.000 0.444 375 Y N -1.165 119.158 120.300 0.037 0.000 2.713 375 Y HA 0.366 4.916 4.550 -0.000 0.000 0.269 375 Y C 1.378 177.420 175.900 0.237 0.000 1.106 375 Y CA -0.519 57.660 58.100 0.132 0.000 1.174 375 Y CB 0.741 39.277 38.460 0.127 0.000 1.186 375 Y HN 0.137 nan 8.280 nan 0.000 0.555 376 A N 0.240 123.227 122.820 0.278 0.000 1.896 376 A HA -0.232 4.088 4.320 -0.000 0.000 0.220 376 A C 2.183 179.934 177.584 0.278 0.000 1.206 376 A CA 2.598 54.812 52.037 0.295 0.000 0.647 376 A CB -0.981 18.154 19.000 0.225 0.000 0.828 376 A HN 0.320 nan 8.150 nan 0.000 0.455 377 V N -2.436 117.610 119.914 0.221 0.000 2.255 377 V HA -0.284 3.835 4.120 -0.000 0.000 0.247 377 V C 2.182 178.375 176.094 0.166 0.000 1.051 377 V CA 2.159 64.549 62.300 0.150 0.000 1.018 377 V CB -0.973 30.933 31.823 0.138 0.000 0.641 377 V HN 0.848 nan 8.190 nan 0.000 0.445 378 W N -0.065 121.302 121.300 0.111 0.000 2.355 378 W HA -0.239 4.420 4.660 -0.000 0.000 0.309 378 W C 2.351 178.902 176.519 0.054 0.000 1.206 378 W CA 1.867 59.249 57.345 0.061 0.000 1.284 378 W CB -0.450 29.037 29.460 0.044 0.000 1.145 378 W HN 0.304 nan 8.180 nan 0.000 0.502 379 F N 1.176 121.339 119.950 0.354 0.000 2.046 379 F HA -0.118 4.409 4.527 -0.000 0.000 0.297 379 F C 2.338 178.079 175.800 -0.099 0.000 1.123 379 F CA 2.819 60.938 58.000 0.200 0.000 1.199 379 F CB -1.101 38.047 39.000 0.246 0.000 0.972 379 F HN -0.095 nan 8.300 nan 0.000 0.474 380 G N -0.585 108.124 108.800 -0.152 0.000 2.469 380 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.220 380 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.220 380 G C 1.893 176.511 174.900 -0.470 0.000 1.136 380 G CA 0.797 45.681 45.100 -0.360 0.000 0.759 380 G HN 0.687 nan 8.290 nan 0.000 0.562 381 G N 0.231 108.766 108.800 -0.442 0.000 2.402 381 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.216 381 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.216 381 G C 2.085 176.551 174.900 -0.724 0.000 1.162 381 G CA 1.535 46.321 45.100 -0.524 0.000 0.777 381 G HN 0.515 nan 8.290 nan 0.000 0.539 382 S N -0.333 114.788 115.700 -0.965 0.000 2.382 382 S HA -0.102 4.368 4.470 -0.000 0.000 0.228 382 S C 2.500 176.723 174.600 -0.629 0.000 1.027 382 S CA 1.487 59.121 58.200 -0.943 0.000 0.991 382 S CB -0.250 62.274 63.200 -1.127 0.000 0.823 382 S HN 0.166 nan 8.310 nan 0.000 0.469 383 M N 1.103 120.306 119.600 -0.663 0.000 2.077 383 M HA 0.043 4.523 4.480 -0.000 0.000 0.261 383 M C 2.235 178.332 176.300 -0.338 0.000 1.070 383 M CA 1.344 56.349 55.300 -0.492 0.000 1.125 383 M CB -1.661 30.582 32.600 -0.595 0.000 1.339 383 M HN 0.354 nan 8.290 nan 0.000 0.409 384 L N -0.233 120.770 121.223 -0.368 0.000 2.083 384 L HA -0.146 4.194 4.340 -0.000 0.000 0.209 384 L C 2.473 179.177 176.870 -0.276 0.000 1.083 384 L CA 1.079 55.786 54.840 -0.222 0.000 0.752 384 L CB -0.952 40.913 42.059 -0.323 0.000 0.899 384 L HN 0.269 nan 8.230 nan 0.000 0.433 385 A N -1.128 121.290 122.820 -0.670 0.000 2.209 385 A HA -0.055 4.265 4.320 -0.000 0.000 0.212 385 A C 2.294 179.557 177.584 -0.535 0.000 1.158 385 A CA 1.164 52.465 52.037 -1.226 0.000 0.742 385 A CB -0.260 17.928 19.000 -1.353 0.000 0.790 385 A HN 0.354 nan 8.150 nan 0.000 0.472 386 S N -0.380 115.157 115.700 -0.271 0.000 2.524 386 S HA 0.026 4.496 4.470 -0.000 0.000 0.216 386 S C 1.170 175.785 174.600 0.025 0.000 0.987 386 S CA 0.629 58.779 58.200 -0.084 0.000 0.909 386 S CB -0.175 62.965 63.200 -0.099 0.000 0.781 386 S HN 0.812 nan 8.310 nan 0.000 0.521 387 T N 0.372 114.953 114.554 0.045 0.000 2.899 387 T HA 0.333 4.682 4.350 -0.000 0.000 0.284 387 T C -2.254 172.544 174.700 0.164 0.000 1.004 387 T CA -1.695 60.466 62.100 0.103 0.000 1.043 387 T CB 1.051 70.001 68.868 0.136 0.000 1.013 387 T HN -0.173 nan 8.240 nan 0.000 0.518 388 P HA 0.004 nan 4.420 nan 0.000 0.217 388 P C 1.351 178.684 177.300 0.055 0.000 1.151 388 P CA 0.723 63.881 63.100 0.097 0.000 0.828 388 P CB 0.062 31.776 31.700 0.023 0.000 0.788 389 E N -1.089 119.100 120.200 -0.019 0.000 2.209 389 E HA -0.224 4.126 4.350 -0.000 0.000 0.196 389 E C 1.675 177.971 176.600 -0.506 0.000 0.993 389 E CA 0.626 56.904 56.400 -0.203 0.000 0.819 389 E CB -0.602 29.007 29.700 -0.152 0.000 0.745 389 E HN 0.105 nan 8.360 nan 0.000 0.477 390 F N 0.289 119.898 119.950 -0.567 0.000 2.134 390 F HA -0.202 4.324 4.527 -0.000 0.000 0.299 390 F C 1.291 176.749 175.800 -0.570 0.000 1.097 390 F CA 1.464 59.019 58.000 -0.742 0.000 1.264 390 F CB -0.418 38.272 39.000 -0.516 0.000 1.001 390 F HN 0.073 nan 8.300 nan 0.000 0.479 391 Y N 0.241 120.269 120.300 -0.455 0.000 2.616 391 Y HA -0.060 4.490 4.550 -0.000 0.000 0.296 391 Y C 2.248 177.947 175.900 -0.335 0.000 1.154 391 Y CA 0.916 58.706 58.100 -0.516 0.000 1.325 391 Y CB -0.608 37.582 38.460 -0.449 0.000 1.007 391 Y HN 0.257 nan 8.280 nan 0.000 0.542 392 Q N -0.821 118.845 119.800 -0.222 0.000 2.297 392 Q HA -0.024 4.316 4.340 -0.000 0.000 0.203 392 Q C 2.077 177.953 176.000 -0.206 0.000 0.931 392 Q CA 1.157 56.865 55.803 -0.159 0.000 0.885 392 Q CB 0.214 28.870 28.738 -0.136 0.000 0.991 392 Q HN 0.486 nan 8.270 nan 0.000 0.498 393 V N -2.830 116.859 119.914 -0.375 0.000 3.506 393 V HA 0.125 4.245 4.120 -0.000 0.000 0.263 393 V C 0.967 176.890 176.094 -0.285 0.000 1.203 393 V CA -0.341 61.784 62.300 -0.292 0.000 1.133 393 V CB -0.494 31.126 31.823 -0.338 0.000 0.802 393 V HN 0.134 nan 8.190 nan 0.000 0.459 394 C N 1.697 120.774 119.300 -0.371 0.000 2.605 394 C HA 0.394 4.853 4.460 -0.000 0.000 0.404 394 C C 0.583 175.448 174.990 -0.207 0.000 1.284 394 C CA -0.142 58.706 59.018 -0.283 0.000 2.199 394 C CB -0.730 26.870 27.740 -0.233 0.000 2.647 394 C HN 0.646 nan 8.230 nan 0.000 0.604 395 H N 0.662 119.803 119.070 0.119 0.000 2.668 395 H HA 0.351 4.907 4.556 -0.000 0.000 0.303 395 H C 0.798 176.195 175.328 0.115 0.000 1.074 395 H CA -0.056 56.061 56.048 0.115 0.000 1.406 395 H CB 0.585 30.431 29.762 0.141 0.000 1.442 395 H HN 0.742 nan 8.280 nan 0.000 0.482 396 T N -0.351 114.295 114.554 0.154 0.000 2.813 396 T HA 0.035 4.385 4.350 -0.000 0.000 0.297 396 T C 1.492 176.168 174.700 -0.039 0.000 1.036 396 T CA -0.945 61.200 62.100 0.075 0.000 1.044 396 T CB 1.345 70.267 68.868 0.090 0.000 0.993 396 T HN 0.670 nan 8.240 nan 0.000 0.535 397 K N 0.573 120.946 120.400 -0.045 0.000 2.026 397 K HA -0.156 4.163 4.320 -0.000 0.000 0.208 397 K C 2.328 178.847 176.600 -0.136 0.000 1.048 397 K CA 1.448 57.599 56.287 -0.227 0.000 0.929 397 K CB -0.237 32.287 32.500 0.041 0.000 0.713 397 K HN 0.730 nan 8.250 nan 0.000 0.439 398 K N 0.679 121.058 120.400 -0.035 0.000 2.020 398 K HA -0.209 4.111 4.320 -0.000 0.000 0.212 398 K C 1.519 178.092 176.600 -0.045 0.000 1.050 398 K CA 2.243 58.517 56.287 -0.021 0.000 0.929 398 K CB -0.119 32.387 32.500 0.009 0.000 0.714 398 K HN 0.189 nan 8.250 nan 0.000 0.443 399 D N -0.386 119.996 120.400 -0.029 0.000 2.149 399 D HA -0.200 4.440 4.640 -0.000 0.000 0.198 399 D C 1.761 178.006 176.300 -0.091 0.000 0.990 399 D CA 1.033 55.015 54.000 -0.031 0.000 0.839 399 D CB -0.356 40.462 40.800 0.030 0.000 0.948 399 D HN 0.340 nan 8.370 nan 0.000 0.460 400 Y N 1.976 122.098 120.300 -0.297 0.000 2.181 400 Y HA -0.191 4.359 4.550 -0.000 0.000 0.288 400 Y C 2.000 177.733 175.900 -0.278 0.000 1.146 400 Y CA 1.666 59.516 58.100 -0.417 0.000 1.164 400 Y CB 0.018 37.888 38.460 -0.983 0.000 0.982 400 Y HN -0.007 nan 8.280 nan 0.000 0.515 401 E N -0.410 119.629 120.200 -0.269 0.000 2.112 401 E HA -0.129 4.221 4.350 -0.000 0.000 0.190 401 E C 1.954 178.428 176.600 -0.210 0.000 0.979 401 E CA 1.205 57.453 56.400 -0.253 0.000 0.814 401 E CB -0.101 29.546 29.700 -0.089 0.000 0.762 401 E HN 0.638 nan 8.360 nan 0.000 0.460 402 E N 0.542 120.652 120.200 -0.149 0.000 2.112 402 E HA -0.040 4.310 4.350 -0.000 0.000 0.190 402 E C 1.955 178.481 176.600 -0.123 0.000 0.979 402 E CA 0.721 57.055 56.400 -0.110 0.000 0.814 402 E CB 0.187 29.847 29.700 -0.068 0.000 0.762 402 E HN 0.265 nan 8.360 nan 0.000 0.460 403 I N -0.272 120.210 120.570 -0.145 0.000 3.526 403 I HA 0.168 4.338 4.170 -0.000 0.000 0.294 403 I C 0.923 176.929 176.117 -0.186 0.000 1.229 403 I CA 0.295 61.516 61.300 -0.132 0.000 1.408 403 I CB 0.568 38.512 38.000 -0.094 0.000 1.127 403 I HN 0.086 nan 8.210 nan 0.000 0.439 404 G N 1.658 110.277 108.800 -0.303 0.000 2.619 404 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.686 404 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.686 404 G C -2.312 172.346 174.900 -0.403 0.000 1.256 404 G CA -0.467 44.397 45.100 -0.394 0.000 0.826 404 G HN -0.090 nan 8.290 nan 0.000 0.619 405 P HA -0.191 nan 4.420 nan 0.000 0.218 405 P C 2.093 179.368 177.300 -0.043 0.000 1.146 405 P CA 2.353 65.415 63.100 -0.064 0.000 0.820 405 P CB -0.236 31.475 31.700 0.018 0.000 0.778 406 S N 1.396 117.032 115.700 -0.106 0.000 2.387 406 S HA -0.228 4.242 4.470 -0.000 0.000 0.230 406 S C 2.155 176.691 174.600 -0.107 0.000 1.035 406 S CA 1.656 59.801 58.200 -0.092 0.000 1.014 406 S CB -1.980 61.166 63.200 -0.090 0.000 0.836 406 S HN 0.372 nan 8.310 nan 0.000 0.466 407 I N -0.305 120.174 120.570 -0.152 0.000 2.399 407 I HA -0.120 4.050 4.170 -0.000 0.000 0.254 407 I C 1.856 177.636 176.117 -0.561 0.000 1.146 407 I CA 1.200 62.335 61.300 -0.276 0.000 1.412 407 I CB -1.220 36.612 38.000 -0.281 0.000 1.076 407 I HN 0.308 nan 8.210 nan 0.000 0.432 408 C N 1.039 120.143 119.300 -0.327 0.000 2.576 408 C HA 0.160 4.620 4.460 -0.000 0.000 0.267 408 C C 2.686 177.643 174.990 -0.055 0.000 1.364 408 C CA 0.001 58.894 59.018 -0.207 0.000 1.723 408 C CB -1.639 26.131 27.740 0.050 0.000 1.778 408 C HN 0.490 nan 8.230 nan 0.000 0.572 409 R N -0.054 120.418 120.500 -0.047 0.000 2.148 409 R HA -0.031 4.309 4.340 -0.000 0.000 0.223 409 R C 0.664 177.023 176.300 0.098 0.000 1.088 409 R CA 0.847 56.955 56.100 0.013 0.000 0.985 409 R CB -0.126 30.175 30.300 0.001 0.000 0.880 409 R HN 0.614 nan 8.270 nan 0.000 0.451 410 H N 0.195 119.279 119.070 0.024 0.000 2.538 410 H HA 0.345 4.900 4.556 -0.000 0.000 0.353 410 H C -1.216 174.234 175.328 0.202 0.000 1.109 410 H CA -0.912 55.195 56.048 0.099 0.000 1.192 410 H CB 0.962 30.783 29.762 0.099 0.000 1.555 410 H HN -0.134 nan 8.280 nan 0.000 0.518 411 N N 6.178 124.561 118.700 -0.529 0.000 2.531 411 N HA 0.207 4.947 4.740 -0.000 0.000 0.268 411 N C -2.823 172.445 175.510 -0.403 0.000 1.023 411 N CA -1.480 51.328 53.050 -0.402 0.000 0.896 411 N CB 1.971 40.112 38.487 -0.576 0.000 1.233 411 N HN 0.505 nan 8.380 nan 0.000 0.512 412 P HA -0.110 nan 4.420 nan 0.000 0.257 412 P C 0.238 177.717 177.300 0.298 0.000 1.162 412 P CA 0.182 63.357 63.100 0.124 0.000 0.762 412 P CB 0.622 32.442 31.700 0.200 0.000 0.753 413 V N 6.074 126.102 119.914 0.191 0.000 2.811 413 V HA 0.553 4.672 4.120 -0.000 0.000 0.302 413 V C -0.204 176.036 176.094 0.243 0.000 1.063 413 V CA 0.426 62.765 62.300 0.066 0.000 1.088 413 V CB -0.383 31.227 31.823 -0.355 0.000 0.982 413 V HN 0.557 nan 8.190 nan 0.000 0.485 414 F N 3.040 123.010 119.950 0.034 0.000 2.817 414 F HA 0.942 5.469 4.527 0.000 0.000 0.317 414 F C -0.263 175.580 175.800 0.072 0.000 1.168 414 F CA -0.092 57.937 58.000 0.049 0.000 0.911 414 F CB 1.089 40.111 39.000 0.036 0.000 1.337 414 F HN 1.259 nan 8.300 nan 0.000 0.464 415 G N 0.000 108.903 108.800 0.172 0.000 5.446 415 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 415 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 415 G CA 0.000 45.182 45.100 0.137 0.000 0.502 415 G HN 0.000 nan 8.290 nan 0.000 0.925