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 1o8a_1_A DATA FIRST_RESID 40 DATA SEQUENCE DEAEASKFVE EYDRTSQVVW NEYAEANWNY NTNITTETSK ILLQKNMQIA DATA SEQUENCE NHTLKYGTQA RKFDVNQLQN TTIKRIIKKV QDLERAALPA QELEEYNKIL DATA SEQUENCE LDMETTYSVA TVcHPNGScL QLEPDLTNVM ATSRKYEDLL WAWEGWRDKA DATA SEQUENCE GRAILQFYPK YVELINQAAR LNGYVDAGDS WRSMYETPSL EQDLERLFQE DATA SEQUENCE LQPLYLNLHA YVRRALHRHY GAQHINLEGP IPAHLLGNMW AQTWSNIYDL DATA SEQUENCE VVPFPSAPSM DTTEAMLKQG WTPRRMFKEA DDFFTSLGLL PVPPEFWNKS DATA SEQUENCE MLEKPTDGRE VVcHASAWDF YNGKDFRIKQ cTTVNLEDLV VAHHEMGHIQ DATA SEQUENCE YFMQYKDLPV ALREGANPGF HEAIGDVLAL SVSTPKHLHS LNLLSXXXXS DATA SEQUENCE DEHDINFLMK MALDKIAFIP FSYLVDQWRW RVFDGSITKE NYNQEWWSLR DATA SEQUENCE LKYQGLCPPV PRTQGDFDPG AKFHIPSSVP YIRYFVSFII QFQFHEALcQ DATA SEQUENCE AAGHTGPLHK cDIYQSKEAG QRLATAMKLG FSRPWPEAMQ LITGQPNMSA DATA SEQUENCE SAMLSYFKPL LDWLRTENEL HGEKLGWPQ 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 40 D HA 0.000 nan 4.640 nan 0.000 0.175 40 D C 0.000 176.392 176.300 0.154 0.000 2.045 40 D CA 0.000 54.050 54.000 0.083 0.000 0.868 40 D CB 0.000 40.831 40.800 0.051 0.000 0.688 41 E N 0.746 121.005 120.200 0.100 0.000 2.208 41 E HA 0.279 4.628 4.350 -0.001 0.000 0.193 41 E C 2.199 178.852 176.600 0.088 0.000 0.988 41 E CA 2.000 58.452 56.400 0.087 0.000 0.828 41 E CB -0.036 29.695 29.700 0.051 0.000 0.763 41 E HN 0.687 nan 8.360 nan 0.000 0.478 42 A N 0.444 123.317 122.820 0.088 0.000 1.897 42 A HA -0.107 4.212 4.320 -0.001 0.000 0.215 42 A C 2.050 179.707 177.584 0.123 0.000 1.181 42 A CA 1.342 53.429 52.037 0.084 0.000 0.620 42 A CB -0.407 18.632 19.000 0.065 0.000 0.821 42 A HN 0.269 nan 8.150 nan 0.000 0.443 43 E N -0.314 119.989 120.200 0.173 0.000 2.150 43 E HA -0.076 4.273 4.350 -0.001 0.000 0.193 43 E C 2.234 179.039 176.600 0.342 0.000 0.985 43 E CA 0.708 57.264 56.400 0.261 0.000 0.814 43 E CB -0.178 29.682 29.700 0.267 0.000 0.752 43 E HN 0.620 nan 8.360 nan 0.000 0.466 44 A N 1.145 124.114 122.820 0.249 0.000 1.855 44 A HA -0.193 4.126 4.320 -0.001 0.000 0.215 44 A C 2.321 179.910 177.584 0.009 0.000 1.191 44 A CA 1.926 53.922 52.037 -0.068 0.000 0.613 44 A CB -0.636 18.298 19.000 -0.110 0.000 0.829 44 A HN 0.348 nan 8.150 nan 0.000 0.442 45 S N 0.006 115.734 115.700 0.047 0.000 2.402 45 S HA -0.184 4.286 4.470 -0.001 0.000 0.229 45 S C 1.911 176.549 174.600 0.065 0.000 1.021 45 S CA 1.530 59.753 58.200 0.040 0.000 0.974 45 S CB -0.316 62.905 63.200 0.034 0.000 0.800 45 S HN 0.651 nan 8.310 nan 0.000 0.484 46 K N 0.324 120.789 120.400 0.109 0.000 2.062 46 K HA -0.073 4.246 4.320 -0.001 0.000 0.205 46 K C 1.968 178.665 176.600 0.162 0.000 1.051 46 K CA 1.187 57.547 56.287 0.122 0.000 0.941 46 K CB -0.404 32.180 32.500 0.141 0.000 0.719 46 K HN 0.366 nan 8.250 nan 0.000 0.440 47 F N 1.519 121.512 119.950 0.071 0.000 2.102 47 F HA -0.192 4.335 4.527 -0.001 0.000 0.298 47 F C 1.735 177.591 175.800 0.093 0.000 1.105 47 F CA 1.349 59.410 58.000 0.102 0.000 1.239 47 F CB -0.422 38.589 39.000 0.019 0.000 0.991 47 F HN -0.188 nan 8.300 nan 0.000 0.474 48 V N 0.825 120.701 119.914 -0.064 0.000 2.343 48 V HA -0.295 3.824 4.120 -0.001 0.000 0.247 48 V C 2.273 178.304 176.094 -0.105 0.000 1.051 48 V CA 2.331 64.547 62.300 -0.140 0.000 1.036 48 V CB -0.764 31.038 31.823 -0.035 0.000 0.654 48 V HN 0.385 nan 8.190 nan 0.000 0.451 49 E N -0.146 120.021 120.200 -0.054 0.000 2.077 49 E HA -0.253 4.096 4.350 -0.001 0.000 0.193 49 E C 2.241 178.789 176.600 -0.086 0.000 0.989 49 E CA 1.486 57.855 56.400 -0.052 0.000 0.800 49 E CB -0.152 29.540 29.700 -0.013 0.000 0.746 49 E HN 0.680 nan 8.360 nan 0.000 0.452 50 E N 0.129 120.293 120.200 -0.060 0.000 2.051 50 E HA -0.208 4.141 4.350 -0.001 0.000 0.192 50 E C 1.917 178.388 176.600 -0.214 0.000 0.991 50 E CA 0.967 57.345 56.400 -0.037 0.000 0.799 50 E CB -0.197 29.582 29.700 0.131 0.000 0.748 50 E HN 0.260 nan 8.360 nan 0.000 0.449 51 Y N 1.953 121.946 120.300 -0.512 0.000 2.128 51 Y HA -0.298 4.252 4.550 -0.001 0.000 0.284 51 Y C 1.931 177.476 175.900 -0.592 0.000 1.154 51 Y CA 2.175 59.773 58.100 -0.836 0.000 1.149 51 Y CB -0.294 37.666 38.460 -0.832 0.000 0.976 51 Y HN 0.018 nan 8.280 nan 0.000 0.505 52 D N -0.589 119.544 120.400 -0.444 0.000 2.097 52 D HA -0.208 4.431 4.640 -0.001 0.000 0.195 52 D C 2.294 178.320 176.300 -0.455 0.000 0.989 52 D CA 2.022 55.744 54.000 -0.465 0.000 0.827 52 D CB -0.213 40.454 40.800 -0.221 0.000 0.966 52 D HN 0.551 nan 8.370 nan 0.000 0.456 53 R N -0.340 119.971 120.500 -0.315 0.000 2.092 53 R HA -0.075 4.264 4.340 -0.001 0.000 0.231 53 R C 2.187 178.306 176.300 -0.302 0.000 1.119 53 R CA 1.827 57.778 56.100 -0.248 0.000 0.970 53 R CB -1.331 28.883 30.300 -0.144 0.000 0.864 53 R HN 0.260 nan 8.270 nan 0.000 0.440 54 T N -1.520 112.819 114.554 -0.359 0.000 2.857 54 T HA 0.042 4.392 4.350 -0.001 0.000 0.266 54 T C 2.089 176.424 174.700 -0.610 0.000 1.048 54 T CA 1.198 63.093 62.100 -0.341 0.000 1.139 54 T CB -0.209 68.542 68.868 -0.195 0.000 0.874 54 T HN 0.201 nan 8.240 nan 0.000 0.455 55 S N 1.749 116.905 115.700 -0.906 0.000 2.368 55 S HA -0.126 4.343 4.470 -0.001 0.000 0.225 55 S C 2.275 176.201 174.600 -1.123 0.000 1.030 55 S CA 1.184 58.553 58.200 -1.385 0.000 0.999 55 S CB -0.440 61.627 63.200 -1.888 0.000 0.844 55 S HN 0.612 nan 8.310 nan 0.000 0.459 56 Q N 0.323 119.684 119.800 -0.731 0.000 2.096 56 Q HA -0.122 4.217 4.340 -0.001 0.000 0.204 56 Q C 2.288 178.152 176.000 -0.225 0.000 0.982 56 Q CA 1.591 57.158 55.803 -0.392 0.000 0.850 56 Q CB -0.391 28.202 28.738 -0.242 0.000 0.901 56 Q HN 0.391 nan 8.270 nan 0.000 0.422 57 V N 0.040 119.811 119.914 -0.239 0.000 2.270 57 V HA -0.207 3.913 4.120 -0.001 0.000 0.245 57 V C 2.141 178.178 176.094 -0.095 0.000 1.043 57 V CA 1.599 63.822 62.300 -0.129 0.000 1.014 57 V CB -0.617 31.134 31.823 -0.119 0.000 0.645 57 V HN 0.283 nan 8.190 nan 0.000 0.447 58 V N -0.826 118.970 119.914 -0.196 0.000 2.343 58 V HA -0.237 3.883 4.120 -0.001 0.000 0.247 58 V C 2.177 178.330 176.094 0.097 0.000 1.051 58 V CA 2.152 64.393 62.300 -0.099 0.000 1.036 58 V CB -0.459 31.185 31.823 -0.299 0.000 0.654 58 V HN 0.686 nan 8.190 nan 0.000 0.451 59 W N 0.666 121.779 121.300 -0.312 0.000 2.402 59 W HA -0.045 4.614 4.660 -0.001 0.000 0.286 59 W C 2.584 179.077 176.519 -0.042 0.000 1.221 59 W CA 1.144 58.302 57.345 -0.312 0.000 1.257 59 W CB -1.323 27.655 29.460 -0.803 0.000 1.120 59 W HN 0.402 nan 8.180 nan 0.000 0.551 60 N N 1.059 119.901 118.700 0.236 0.000 2.120 60 N HA -0.187 4.553 4.740 -0.001 0.000 0.188 60 N C 1.414 177.066 175.510 0.236 0.000 1.024 60 N CA 1.691 54.906 53.050 0.275 0.000 0.852 60 N CB -0.199 38.395 38.487 0.177 0.000 1.003 60 N HN 0.267 nan 8.380 nan 0.000 0.424 61 E N -0.731 119.571 120.200 0.171 0.000 2.077 61 E HA -0.206 4.144 4.350 -0.001 0.000 0.193 61 E C 1.773 178.480 176.600 0.178 0.000 0.989 61 E CA 0.986 57.477 56.400 0.151 0.000 0.800 61 E CB -0.240 29.527 29.700 0.111 0.000 0.746 61 E HN 0.424 nan 8.360 nan 0.000 0.452 62 Y N 1.134 121.480 120.300 0.078 0.000 2.181 62 Y HA -0.229 4.320 4.550 -0.001 0.000 0.288 62 Y C 2.151 178.115 175.900 0.108 0.000 1.146 62 Y CA 1.425 59.558 58.100 0.054 0.000 1.164 62 Y CB -0.469 37.971 38.460 -0.035 0.000 0.982 62 Y HN -0.001 nan 8.280 nan 0.000 0.515 63 A N 0.400 123.283 122.820 0.104 0.000 1.940 63 A HA -0.221 4.098 4.320 -0.001 0.000 0.219 63 A C 2.179 179.839 177.584 0.127 0.000 1.176 63 A CA 2.554 54.598 52.037 0.012 0.000 0.631 63 A CB -1.477 17.424 19.000 -0.166 0.000 0.814 63 A HN 0.611 nan 8.150 nan 0.000 0.446 64 E N -0.360 119.981 120.200 0.236 0.000 2.031 64 E HA 0.003 4.352 4.350 -0.001 0.000 0.193 64 E C 2.347 179.069 176.600 0.204 0.000 0.994 64 E CA 2.098 58.677 56.400 0.298 0.000 0.800 64 E CB -1.217 28.603 29.700 0.200 0.000 0.752 64 E HN 1.048 nan 8.360 nan 0.000 0.447 65 A N 1.007 123.872 122.820 0.076 0.000 1.902 65 A HA -0.185 4.134 4.320 -0.001 0.000 0.217 65 A C 2.246 179.841 177.584 0.019 0.000 1.181 65 A CA 2.060 54.114 52.037 0.029 0.000 0.623 65 A CB -0.525 18.458 19.000 -0.028 0.000 0.818 65 A HN 0.488 nan 8.150 nan 0.000 0.443 66 N N -0.938 117.706 118.700 -0.093 0.000 2.188 66 N HA -0.173 4.567 4.740 -0.001 0.000 0.184 66 N C 1.576 177.266 175.510 0.301 0.000 1.018 66 N CA 1.576 54.651 53.050 0.042 0.000 0.858 66 N CB -0.394 38.023 38.487 -0.116 0.000 0.989 66 N HN 0.722 nan 8.380 nan 0.000 0.426 67 W N 1.330 122.635 121.300 0.009 0.000 2.381 67 W HA -0.084 4.575 4.660 -0.001 0.000 0.301 67 W C 1.051 177.473 176.519 -0.162 0.000 1.205 67 W CA 1.032 58.172 57.345 -0.342 0.000 1.285 67 W CB -0.537 28.754 29.460 -0.282 0.000 1.133 67 W HN 0.080 nan 8.180 nan 0.000 0.521 68 N N 0.260 119.035 118.700 0.124 0.000 2.166 68 N HA -0.242 4.497 4.740 -0.001 0.000 0.186 68 N C 1.499 176.985 175.510 -0.039 0.000 1.019 68 N CA 1.931 55.006 53.050 0.041 0.000 0.856 68 N CB -1.367 37.190 38.487 0.118 0.000 0.993 68 N HN 0.380 nan 8.380 nan 0.000 0.426 69 Y N 1.810 122.065 120.300 -0.076 0.000 2.133 69 Y HA 0.007 4.556 4.550 -0.001 0.000 0.287 69 Y C 1.945 177.785 175.900 -0.101 0.000 1.134 69 Y CA 1.410 59.473 58.100 -0.063 0.000 1.133 69 Y CB -0.643 37.801 38.460 -0.027 0.000 0.987 69 Y HN 0.009 nan 8.280 nan 0.000 0.502 70 N N -0.392 118.120 118.700 -0.312 0.000 2.205 70 N HA -0.160 4.580 4.740 -0.001 0.000 0.186 70 N C 1.404 176.608 175.510 -0.511 0.000 1.015 70 N CA 2.139 54.948 53.050 -0.402 0.000 0.862 70 N CB -0.300 38.136 38.487 -0.086 0.000 0.986 70 N HN 0.607 nan 8.380 nan 0.000 0.429 71 T N -3.134 111.048 114.554 -0.620 0.000 3.105 71 T HA 0.155 4.504 4.350 -0.001 0.000 0.253 71 T C 0.186 174.684 174.700 -0.336 0.000 1.047 71 T CA -0.317 61.444 62.100 -0.565 0.000 0.944 71 T CB 0.101 68.471 68.868 -0.830 0.000 1.016 71 T HN -0.046 nan 8.240 nan 0.000 0.544 72 N N 0.830 119.351 118.700 -0.298 0.000 3.111 72 N HA 0.181 4.921 4.740 -0.001 0.000 0.200 72 N C -1.381 174.025 175.510 -0.174 0.000 1.464 72 N CA -0.422 52.519 53.050 -0.182 0.000 0.758 72 N CB -0.078 38.343 38.487 -0.110 0.000 1.548 72 N HN 0.352 nan 8.380 nan 0.000 0.595 73 I N 2.275 122.706 120.570 -0.232 0.000 2.483 73 I HA 0.124 4.293 4.170 -0.001 0.000 0.291 73 I C 0.612 176.709 176.117 -0.033 0.000 1.112 73 I CA 0.400 61.579 61.300 -0.202 0.000 1.350 73 I CB -0.058 37.797 38.000 -0.242 0.000 1.419 73 I HN 0.480 nan 8.210 nan 0.000 0.523 74 T N -0.128 114.453 114.554 0.045 0.000 2.841 74 T HA 0.163 4.512 4.350 -0.001 0.000 0.296 74 T C 0.632 175.384 174.700 0.086 0.000 1.166 74 T CA -0.504 61.627 62.100 0.052 0.000 1.007 74 T CB 1.805 70.693 68.868 0.033 0.000 1.253 74 T HN 0.395 nan 8.240 nan 0.000 0.511 75 T N -0.250 114.341 114.554 0.062 0.000 2.833 75 T HA -0.077 4.272 4.350 -0.001 0.000 0.269 75 T C 1.357 176.090 174.700 0.055 0.000 1.054 75 T CA 2.246 64.381 62.100 0.058 0.000 1.135 75 T CB -0.623 68.271 68.868 0.043 0.000 0.869 75 T HN 0.720 nan 8.240 nan 0.000 0.466 76 E N 0.912 121.143 120.200 0.051 0.000 2.028 76 E HA -0.060 4.290 4.350 -0.001 0.000 0.191 76 E C 2.622 179.258 176.600 0.059 0.000 0.988 76 E CA 1.863 58.291 56.400 0.047 0.000 0.799 76 E CB -0.674 29.049 29.700 0.038 0.000 0.755 76 E HN 0.708 nan 8.360 nan 0.000 0.447 77 T N -1.530 113.073 114.554 0.080 0.000 2.833 77 T HA -0.075 4.275 4.350 -0.001 0.000 0.269 77 T C 2.077 176.854 174.700 0.128 0.000 1.054 77 T CA 1.311 63.478 62.100 0.110 0.000 1.135 77 T CB -0.301 68.646 68.868 0.132 0.000 0.869 77 T HN -0.055 nan 8.240 nan 0.000 0.466 78 S N 1.336 117.116 115.700 0.134 0.000 2.355 78 S HA 0.003 4.472 4.470 -0.001 0.000 0.222 78 S C 1.998 176.587 174.600 -0.020 0.000 1.031 78 S CA 1.177 59.396 58.200 0.033 0.000 0.993 78 S CB -0.327 62.907 63.200 0.058 0.000 0.859 78 S HN 0.617 nan 8.310 nan 0.000 0.453 79 K N 0.996 121.406 120.400 0.016 0.000 2.057 79 K HA -0.030 4.289 4.320 -0.001 0.000 0.207 79 K C 1.945 178.554 176.600 0.015 0.000 1.049 79 K CA 1.241 57.535 56.287 0.012 0.000 0.931 79 K CB -0.255 32.260 32.500 0.024 0.000 0.714 79 K HN 0.305 nan 8.250 nan 0.000 0.440 80 I N 0.926 121.512 120.570 0.026 0.000 2.226 80 I HA -0.266 3.903 4.170 -0.001 0.000 0.245 80 I C 2.289 178.422 176.117 0.026 0.000 1.100 80 I CA 0.501 61.821 61.300 0.033 0.000 1.374 80 I CB -0.245 37.781 38.000 0.043 0.000 1.057 80 I HN 0.225 nan 8.210 nan 0.000 0.413 81 L N 1.004 122.226 121.223 -0.002 0.000 2.017 81 L HA -0.179 4.160 4.340 -0.001 0.000 0.208 81 L C 2.291 179.164 176.870 0.005 0.000 1.073 81 L CA 1.860 56.679 54.840 -0.035 0.000 0.745 81 L CB -0.580 41.392 42.059 -0.145 0.000 0.894 81 L HN 0.135 nan 8.230 nan 0.000 0.432 82 L N -1.044 120.165 121.223 -0.023 0.000 2.131 82 L HA -0.236 4.104 4.340 -0.001 0.000 0.210 82 L C 2.601 179.493 176.870 0.037 0.000 1.092 82 L CA 1.274 56.112 54.840 -0.003 0.000 0.759 82 L CB -0.553 41.492 42.059 -0.024 0.000 0.903 82 L HN 0.436 nan 8.230 nan 0.000 0.435 83 Q N -0.451 119.374 119.800 0.042 0.000 2.123 83 Q HA -0.139 4.200 4.340 -0.001 0.000 0.199 83 Q C 2.158 178.207 176.000 0.081 0.000 0.966 83 Q CA 0.872 56.708 55.803 0.054 0.000 0.845 83 Q CB 0.066 28.832 28.738 0.047 0.000 0.907 83 Q HN 0.261 nan 8.270 nan 0.000 0.439 84 K N 0.740 121.207 120.400 0.111 0.000 2.211 84 K HA -0.053 4.266 4.320 -0.001 0.000 0.203 84 K C 1.536 178.265 176.600 0.215 0.000 1.050 84 K CA 0.611 57.005 56.287 0.179 0.000 0.945 84 K CB -0.183 32.449 32.500 0.219 0.000 0.732 84 K HN 0.254 nan 8.250 nan 0.000 0.451 85 N N 0.709 119.523 118.700 0.190 0.000 2.084 85 N HA -0.140 4.599 4.740 -0.001 0.000 0.190 85 N C 1.715 177.243 175.510 0.028 0.000 1.030 85 N CA 1.194 54.298 53.050 0.091 0.000 0.849 85 N CB -0.104 38.428 38.487 0.075 0.000 1.012 85 N HN 0.056 nan 8.380 nan 0.000 0.423 86 M N 1.721 121.353 119.600 0.052 0.000 2.149 86 M HA -0.100 4.379 4.480 -0.001 0.000 0.261 86 M C 2.015 178.350 176.300 0.058 0.000 1.064 86 M CA 1.315 56.644 55.300 0.048 0.000 1.102 86 M CB -0.731 31.899 32.600 0.049 0.000 1.369 86 M HN 0.164 nan 8.290 nan 0.000 0.408 87 Q N -0.922 118.921 119.800 0.072 0.000 2.046 87 Q HA -0.128 4.211 4.340 -0.001 0.000 0.200 87 Q C 2.264 178.322 176.000 0.097 0.000 0.975 87 Q CA 1.510 57.365 55.803 0.087 0.000 0.836 87 Q CB -0.338 28.455 28.738 0.093 0.000 0.896 87 Q HN 0.517 nan 8.270 nan 0.000 0.428 88 I N 0.458 121.058 120.570 0.050 0.000 2.493 88 I HA -0.201 3.968 4.170 -0.001 0.000 0.254 88 I C 2.071 178.230 176.117 0.069 0.000 1.160 88 I CA 0.729 62.042 61.300 0.022 0.000 1.445 88 I CB -0.043 37.826 38.000 -0.218 0.000 1.086 88 I HN 0.127 nan 8.210 nan 0.000 0.433 89 A N 0.730 123.567 122.820 0.027 0.000 1.898 89 A HA -0.248 4.071 4.320 -0.001 0.000 0.216 89 A C 2.176 179.820 177.584 0.100 0.000 1.181 89 A CA 1.766 53.831 52.037 0.047 0.000 0.620 89 A CB -0.935 18.081 19.000 0.026 0.000 0.819 89 A HN 0.577 nan 8.150 nan 0.000 0.442 90 N N -0.592 118.172 118.700 0.108 0.000 2.166 90 N HA -0.235 4.505 4.740 -0.001 0.000 0.186 90 N C 1.789 177.400 175.510 0.169 0.000 1.019 90 N CA 1.718 54.837 53.050 0.115 0.000 0.856 90 N CB -0.504 38.046 38.487 0.104 0.000 0.993 90 N HN 0.743 nan 8.380 nan 0.000 0.426 91 H N 0.185 119.338 119.070 0.138 0.000 2.357 91 H HA -0.025 4.531 4.556 -0.001 0.000 0.301 91 H C 1.191 176.703 175.328 0.305 0.000 1.082 91 H CA 1.712 57.894 56.048 0.222 0.000 1.342 91 H CB -0.069 29.794 29.762 0.168 0.000 1.389 91 H HN 0.181 nan 8.280 nan 0.000 0.511 92 T N 1.941 116.660 114.554 0.275 0.000 2.746 92 T HA -0.127 4.222 4.350 -0.001 0.000 0.267 92 T C 2.176 176.973 174.700 0.161 0.000 1.039 92 T CA 1.090 63.340 62.100 0.249 0.000 1.142 92 T CB -0.380 68.618 68.868 0.216 0.000 0.866 92 T HN 0.160 nan 8.240 nan 0.000 0.444 93 L N 1.470 122.762 121.223 0.115 0.000 2.017 93 L HA 0.015 4.354 4.340 -0.001 0.000 0.208 93 L C 2.350 179.252 176.870 0.054 0.000 1.073 93 L CA 1.872 56.757 54.840 0.074 0.000 0.745 93 L CB -0.554 41.537 42.059 0.054 0.000 0.894 93 L HN 0.083 nan 8.230 nan 0.000 0.432 94 K N -1.528 118.895 120.400 0.038 0.000 1.991 94 K HA -0.247 4.072 4.320 -0.001 0.000 0.212 94 K C 2.190 178.736 176.600 -0.090 0.000 1.049 94 K CA 2.229 58.486 56.287 -0.050 0.000 0.932 94 K CB -0.468 31.977 32.500 -0.092 0.000 0.717 94 K HN 0.361 nan 8.250 nan 0.000 0.441 95 Y N 0.029 120.340 120.300 0.019 0.000 2.314 95 Y HA -0.010 4.539 4.550 -0.001 0.000 0.293 95 Y C 2.391 178.432 175.900 0.235 0.000 1.129 95 Y CA 1.260 59.472 58.100 0.186 0.000 1.201 95 Y CB -0.475 38.063 38.460 0.129 0.000 0.999 95 Y HN 0.276 nan 8.280 nan 0.000 0.541 96 G N -1.050 107.892 108.800 0.237 0.000 2.402 96 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.216 96 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.216 96 G C 1.734 176.682 174.900 0.079 0.000 1.162 96 G CA 1.518 46.707 45.100 0.148 0.000 0.777 96 G HN 0.297 nan 8.290 nan 0.000 0.539 97 T N 0.705 115.287 114.554 0.048 0.000 2.708 97 T HA -0.127 4.222 4.350 -0.001 0.000 0.266 97 T C 2.414 177.095 174.700 -0.031 0.000 1.037 97 T CA 1.524 63.622 62.100 -0.002 0.000 1.146 97 T CB -0.215 68.643 68.868 -0.018 0.000 0.865 97 T HN 0.321 nan 8.240 nan 0.000 0.435 98 Q N 0.389 120.174 119.800 -0.025 0.000 2.050 98 Q HA -0.056 4.284 4.340 -0.001 0.000 0.202 98 Q C 2.735 178.622 176.000 -0.188 0.000 0.980 98 Q CA 1.415 57.159 55.803 -0.099 0.000 0.840 98 Q CB -0.332 28.399 28.738 -0.011 0.000 0.898 98 Q HN 0.560 nan 8.270 nan 0.000 0.424 99 A N 1.140 123.856 122.820 -0.173 0.000 1.940 99 A HA -0.216 4.103 4.320 -0.001 0.000 0.219 99 A C 1.895 179.474 177.584 -0.009 0.000 1.176 99 A CA 1.413 53.333 52.037 -0.195 0.000 0.631 99 A CB -0.433 18.579 19.000 0.020 0.000 0.814 99 A HN 0.246 nan 8.150 nan 0.000 0.446 100 R N -0.458 120.031 120.500 -0.019 0.000 2.285 100 R HA -0.025 4.314 4.340 -0.001 0.000 0.213 100 R C 1.540 177.813 176.300 -0.044 0.000 1.068 100 R CA 1.118 57.206 56.100 -0.021 0.000 1.004 100 R CB -0.136 30.146 30.300 -0.029 0.000 0.873 100 R HN 0.505 nan 8.270 nan 0.000 0.467 101 K N -0.294 120.051 120.400 -0.091 0.000 2.418 101 K HA 0.028 4.348 4.320 -0.001 0.000 0.195 101 K C -0.158 176.282 176.600 -0.268 0.000 1.035 101 K CA 0.375 56.543 56.287 -0.198 0.000 1.003 101 K CB 0.214 32.539 32.500 -0.291 0.000 0.793 101 K HN -0.032 nan 8.250 nan 0.000 0.494 102 F N 1.381 121.220 119.950 -0.185 0.000 2.384 102 F HA 0.067 4.593 4.527 -0.001 0.000 0.338 102 F C 0.747 176.483 175.800 -0.106 0.000 1.103 102 F CA -0.975 56.933 58.000 -0.154 0.000 1.157 102 F CB 0.683 39.571 39.000 -0.187 0.000 1.167 102 F HN -0.132 nan 8.300 nan 0.000 0.529 103 D N 3.088 123.543 120.400 0.090 0.000 2.468 103 D HA 0.125 4.764 4.640 -0.001 0.000 0.218 103 D C 1.027 177.362 176.300 0.059 0.000 1.155 103 D CA 0.041 54.065 54.000 0.040 0.000 0.924 103 D CB 0.973 41.776 40.800 0.005 0.000 1.029 103 D HN 0.318 nan 8.370 nan 0.000 0.515 104 V N 4.072 124.014 119.914 0.046 0.000 2.439 104 V HA -0.289 3.831 4.120 -0.001 0.000 0.253 104 V C 2.129 178.230 176.094 0.012 0.000 1.074 104 V CA 1.353 63.667 62.300 0.023 0.000 1.076 104 V CB -0.458 31.367 31.823 0.003 0.000 0.664 104 V HN 0.588 nan 8.190 nan 0.000 0.461 105 N N 0.062 118.767 118.700 0.008 0.000 2.223 105 N HA -0.161 4.578 4.740 -0.001 0.000 0.185 105 N C 1.787 177.301 175.510 0.006 0.000 1.016 105 N CA 1.089 54.140 53.050 0.002 0.000 0.863 105 N CB -0.189 38.296 38.487 -0.004 0.000 0.983 105 N HN 0.532 nan 8.380 nan 0.000 0.429 106 Q N 0.137 119.947 119.800 0.015 0.000 2.424 106 Q HA 0.112 4.451 4.340 -0.001 0.000 0.204 106 Q C 0.106 176.121 176.000 0.026 0.000 0.933 106 Q CA -0.072 55.742 55.803 0.018 0.000 0.929 106 Q CB -0.044 28.706 28.738 0.020 0.000 1.037 106 Q HN 0.212 nan 8.270 nan 0.000 0.511 107 L N 1.594 122.834 121.223 0.029 0.000 2.455 107 L HA -0.033 4.306 4.340 -0.001 0.000 0.272 107 L C 1.442 178.318 176.870 0.009 0.000 1.174 107 L CA 0.634 55.488 54.840 0.023 0.000 0.869 107 L CB 0.690 42.754 42.059 0.007 0.000 1.130 107 L HN 0.011 nan 8.230 nan 0.000 0.474 108 Q N 2.062 121.868 119.800 0.010 0.000 2.107 108 Q HA 0.045 4.385 4.340 -0.001 0.000 0.195 108 Q C 0.537 176.536 176.000 -0.002 0.000 0.964 108 Q CA 0.842 56.648 55.803 0.005 0.000 0.833 108 Q CB 0.008 28.751 28.738 0.008 0.000 0.910 108 Q HN 0.614 nan 8.270 nan 0.000 0.465 109 N N 0.532 119.231 118.700 -0.002 0.000 2.434 109 N HA -0.075 4.664 4.740 -0.001 0.000 0.268 109 N C 0.583 176.084 175.510 -0.014 0.000 1.256 109 N CA 0.806 53.852 53.050 -0.007 0.000 0.914 109 N CB 1.036 39.519 38.487 -0.005 0.000 1.088 109 N HN 0.408 nan 8.380 nan 0.000 0.478 110 T N 0.780 115.324 114.554 -0.017 0.000 2.720 110 T HA -0.156 4.193 4.350 -0.001 0.000 0.268 110 T C 1.710 176.393 174.700 -0.029 0.000 1.037 110 T CA 1.770 63.856 62.100 -0.024 0.000 1.144 110 T CB -0.527 68.325 68.868 -0.028 0.000 0.864 110 T HN 0.456 nan 8.240 nan 0.000 0.444 111 T N 2.356 116.896 114.554 -0.024 0.000 2.746 111 T HA 0.030 4.379 4.350 -0.001 0.000 0.267 111 T C 1.909 176.596 174.700 -0.022 0.000 1.039 111 T CA 1.165 63.252 62.100 -0.022 0.000 1.142 111 T CB -0.328 68.533 68.868 -0.012 0.000 0.866 111 T HN 0.257 nan 8.240 nan 0.000 0.444 112 I N 1.288 121.844 120.570 -0.024 0.000 2.315 112 I HA -0.084 4.085 4.170 -0.001 0.000 0.248 112 I C 2.410 178.496 176.117 -0.052 0.000 1.117 112 I CA 1.315 62.592 61.300 -0.037 0.000 1.404 112 I CB -0.967 37.009 38.000 -0.039 0.000 1.071 112 I HN 0.283 nan 8.210 nan 0.000 0.419 113 K N 1.083 121.458 120.400 -0.042 0.000 2.032 113 K HA -0.231 4.089 4.320 -0.001 0.000 0.209 113 K C 2.375 178.956 176.600 -0.033 0.000 1.048 113 K CA 1.570 57.833 56.287 -0.040 0.000 0.927 113 K CB -0.057 32.427 32.500 -0.027 0.000 0.712 113 K HN 0.086 nan 8.250 nan 0.000 0.441 114 R N 0.588 121.071 120.500 -0.028 0.000 2.081 114 R HA -0.076 4.263 4.340 -0.001 0.000 0.235 114 R C 2.321 178.626 176.300 0.008 0.000 1.131 114 R CA 1.545 57.634 56.100 -0.019 0.000 0.960 114 R CB -0.216 30.056 30.300 -0.046 0.000 0.856 114 R HN 0.246 nan 8.270 nan 0.000 0.436 115 I N 0.461 121.030 120.570 -0.001 0.000 2.179 115 I HA -0.297 3.872 4.170 -0.001 0.000 0.242 115 I C 2.255 178.352 176.117 -0.034 0.000 1.088 115 I CA 1.307 62.608 61.300 0.001 0.000 1.357 115 I CB -0.206 37.788 38.000 -0.011 0.000 1.051 115 I HN 0.236 nan 8.210 nan 0.000 0.409 116 I N 1.173 121.715 120.570 -0.046 0.000 2.226 116 I HA -0.327 3.842 4.170 -0.001 0.000 0.245 116 I C 3.122 179.219 176.117 -0.033 0.000 1.100 116 I CA 1.750 63.017 61.300 -0.055 0.000 1.374 116 I CB -0.722 37.178 38.000 -0.166 0.000 1.057 116 I HN 0.215 nan 8.210 nan 0.000 0.413 117 K N 1.240 121.631 120.400 -0.016 0.000 2.063 117 K HA -0.245 4.074 4.320 -0.001 0.000 0.208 117 K C 2.075 178.695 176.600 0.034 0.000 1.048 117 K CA 2.040 58.331 56.287 0.007 0.000 0.928 117 K CB -0.805 31.705 32.500 0.015 0.000 0.713 117 K HN 0.366 nan 8.250 nan 0.000 0.442 118 K N 0.071 120.503 120.400 0.053 0.000 2.097 118 K HA -0.044 4.275 4.320 -0.001 0.000 0.205 118 K C 1.984 178.615 176.600 0.053 0.000 1.050 118 K CA 1.193 57.534 56.287 0.090 0.000 0.938 118 K CB -0.152 32.432 32.500 0.139 0.000 0.718 118 K HN 0.161 nan 8.250 nan 0.000 0.442 119 V N 1.626 121.525 119.914 -0.025 0.000 2.759 119 V HA -0.179 3.940 4.120 -0.001 0.000 0.256 119 V C 1.869 177.976 176.094 0.021 0.000 1.080 119 V CA 1.441 63.694 62.300 -0.079 0.000 1.101 119 V CB -0.430 31.217 31.823 -0.293 0.000 0.698 119 V HN 0.389 nan 8.190 nan 0.000 0.477 120 Q N -0.312 119.503 119.800 0.024 0.000 2.437 120 Q HA -0.088 4.251 4.340 -0.001 0.000 0.210 120 Q C 0.740 176.762 176.000 0.037 0.000 0.972 120 Q CA 0.546 56.364 55.803 0.026 0.000 0.903 120 Q CB -0.015 28.725 28.738 0.004 0.000 0.967 120 Q HN 0.506 nan 8.270 nan 0.000 0.486 121 D N 0.520 120.958 120.400 0.063 0.000 2.380 121 D HA 0.076 4.716 4.640 -0.001 0.000 0.230 121 D C 0.470 176.825 176.300 0.091 0.000 1.154 121 D CA -0.125 53.929 54.000 0.090 0.000 0.859 121 D CB 0.784 41.670 40.800 0.144 0.000 1.045 121 D HN 0.116 nan 8.370 nan 0.000 0.495 122 L N 2.452 123.719 121.223 0.073 0.000 2.599 122 L HA 0.123 4.463 4.340 -0.001 0.000 0.230 122 L C 1.253 178.156 176.870 0.055 0.000 1.141 122 L CA -0.240 54.644 54.840 0.072 0.000 0.877 122 L CB -0.581 41.510 42.059 0.054 0.000 1.009 122 L HN 0.437 nan 8.230 nan 0.000 0.447 123 E N 0.563 120.796 120.200 0.055 0.000 3.440 123 E HA -0.385 3.964 4.350 -0.001 0.000 0.328 123 E C 1.548 178.149 176.600 0.001 0.000 1.514 123 E CA 2.198 58.617 56.400 0.033 0.000 1.926 123 E CB -0.561 29.155 29.700 0.027 0.000 1.874 123 E HN 0.502 nan 8.360 nan 0.000 0.471 124 R N 0.812 121.319 120.500 0.011 0.000 2.159 124 R HA -0.060 4.279 4.340 -0.001 0.000 0.237 124 R C 2.022 178.326 176.300 0.006 0.000 1.131 124 R CA 1.771 57.872 56.100 0.002 0.000 0.982 124 R CB -0.356 30.043 30.300 0.165 0.000 0.868 124 R HN 0.357 nan 8.270 nan 0.000 0.453 125 A N 1.116 123.947 122.820 0.018 0.000 2.178 125 A HA 0.087 4.406 4.320 -0.001 0.000 0.218 125 A C 2.273 179.865 177.584 0.015 0.000 1.157 125 A CA 1.185 53.237 52.037 0.026 0.000 0.689 125 A CB -0.417 18.610 19.000 0.045 0.000 0.787 125 A HN 0.574 nan 8.150 nan 0.000 0.465 126 A N -0.674 122.144 122.820 -0.003 0.000 2.167 126 A HA 0.352 4.672 4.320 -0.001 0.000 0.214 126 A C 0.926 178.492 177.584 -0.031 0.000 1.151 126 A CA -0.001 52.028 52.037 -0.014 0.000 0.735 126 A CB -0.290 18.698 19.000 -0.020 0.000 0.802 126 A HN 0.448 nan 8.150 nan 0.000 0.467 127 L N 0.732 121.931 121.223 -0.041 0.000 2.397 127 L HA 0.233 4.573 4.340 -0.001 0.000 0.271 127 L C -2.213 174.645 176.870 -0.020 0.000 1.148 127 L CA -1.955 52.856 54.840 -0.049 0.000 0.825 127 L CB 0.404 42.420 42.059 -0.070 0.000 1.117 127 L HN 0.033 nan 8.230 nan 0.000 0.456 128 P HA -0.021 nan 4.420 nan 0.000 0.267 128 P C 0.231 177.534 177.300 0.005 0.000 1.200 128 P CA 0.026 63.121 63.100 -0.008 0.000 0.772 128 P CB 0.808 32.501 31.700 -0.013 0.000 0.855 129 A N 2.856 125.682 122.820 0.011 0.000 1.915 129 A HA -0.335 3.984 4.320 -0.001 0.000 0.220 129 A C 2.192 179.791 177.584 0.025 0.000 1.198 129 A CA 2.285 54.334 52.037 0.020 0.000 0.647 129 A CB -1.431 17.581 19.000 0.019 0.000 0.825 129 A HN 0.705 nan 8.150 nan 0.000 0.456 130 Q N -1.093 118.718 119.800 0.020 0.000 2.050 130 Q HA -0.243 4.096 4.340 -0.001 0.000 0.202 130 Q C 1.953 177.972 176.000 0.033 0.000 0.980 130 Q CA 1.946 57.763 55.803 0.024 0.000 0.840 130 Q CB -0.128 28.620 28.738 0.016 0.000 0.898 130 Q HN 0.679 nan 8.270 nan 0.000 0.424 131 E N 0.347 120.562 120.200 0.024 0.000 2.150 131 E HA -0.162 4.187 4.350 -0.001 0.000 0.193 131 E C 1.699 178.341 176.600 0.070 0.000 0.985 131 E CA 0.715 57.134 56.400 0.031 0.000 0.814 131 E CB -0.167 29.527 29.700 -0.010 0.000 0.752 131 E HN 0.284 nan 8.360 nan 0.000 0.466 132 L N 1.412 122.673 121.223 0.062 0.000 2.017 132 L HA -0.181 4.158 4.340 -0.001 0.000 0.208 132 L C 2.136 179.076 176.870 0.117 0.000 1.073 132 L CA 2.173 57.075 54.840 0.103 0.000 0.745 132 L CB -0.626 41.472 42.059 0.066 0.000 0.894 132 L HN 0.259 nan 8.230 nan 0.000 0.432 133 E N -0.835 119.410 120.200 0.075 0.000 2.106 133 E HA -0.297 4.053 4.350 -0.001 0.000 0.192 133 E C 1.997 178.636 176.600 0.064 0.000 0.984 133 E CA 1.386 57.821 56.400 0.058 0.000 0.806 133 E CB -0.590 29.135 29.700 0.042 0.000 0.750 133 E HN 0.745 nan 8.360 nan 0.000 0.458 134 E N -0.196 120.055 120.200 0.085 0.000 2.072 134 E HA -0.232 4.118 4.350 -0.001 0.000 0.191 134 E C 1.913 178.595 176.600 0.136 0.000 0.985 134 E CA 0.950 57.408 56.400 0.096 0.000 0.801 134 E CB -0.254 29.502 29.700 0.094 0.000 0.750 134 E HN 0.419 nan 8.360 nan 0.000 0.452 135 Y N 1.868 122.181 120.300 0.023 0.000 2.200 135 Y HA -0.161 4.389 4.550 -0.001 0.000 0.290 135 Y C 1.908 177.823 175.900 0.025 0.000 1.137 135 Y CA 1.815 59.934 58.100 0.031 0.000 1.163 135 Y CB -0.318 38.150 38.460 0.013 0.000 0.988 135 Y HN 0.089 nan 8.280 nan 0.000 0.518 136 N N 0.630 119.300 118.700 -0.050 0.000 2.166 136 N HA -0.192 4.547 4.740 -0.001 0.000 0.186 136 N C 1.896 177.311 175.510 -0.158 0.000 1.019 136 N CA 1.554 54.512 53.050 -0.153 0.000 0.856 136 N CB -0.401 38.058 38.487 -0.046 0.000 0.993 136 N HN 0.438 nan 8.380 nan 0.000 0.426 137 K N 0.995 121.345 120.400 -0.082 0.000 2.097 137 K HA 0.035 4.354 4.320 -0.001 0.000 0.205 137 K C 2.053 178.577 176.600 -0.126 0.000 1.050 137 K CA 0.612 56.850 56.287 -0.081 0.000 0.938 137 K CB -0.031 32.461 32.500 -0.015 0.000 0.718 137 K HN 0.053 nan 8.250 nan 0.000 0.442 138 I N 1.171 121.684 120.570 -0.095 0.000 2.226 138 I HA -0.301 3.868 4.170 -0.001 0.000 0.245 138 I C 2.142 178.093 176.117 -0.277 0.000 1.100 138 I CA 1.090 62.319 61.300 -0.117 0.000 1.374 138 I CB -0.164 37.876 38.000 0.067 0.000 1.057 138 I HN 0.208 nan 8.210 nan 0.000 0.413 139 L N -0.275 120.764 121.223 -0.306 0.000 2.046 139 L HA -0.241 4.098 4.340 -0.001 0.000 0.208 139 L C 2.563 179.258 176.870 -0.291 0.000 1.077 139 L CA 1.005 55.647 54.840 -0.331 0.000 0.747 139 L CB -0.537 41.287 42.059 -0.393 0.000 0.896 139 L HN 0.271 nan 8.230 nan 0.000 0.432 140 L N -0.079 120.978 121.223 -0.276 0.000 2.046 140 L HA -0.218 4.122 4.340 -0.001 0.000 0.208 140 L C 2.090 178.826 176.870 -0.224 0.000 1.077 140 L CA 1.859 56.540 54.840 -0.264 0.000 0.747 140 L CB -0.667 41.218 42.059 -0.289 0.000 0.896 140 L HN 0.203 nan 8.230 nan 0.000 0.432 141 D N -0.978 119.231 120.400 -0.318 0.000 2.144 141 D HA -0.198 4.441 4.640 -0.001 0.000 0.199 141 D C 2.271 178.237 176.300 -0.557 0.000 0.984 141 D CA 1.499 55.236 54.000 -0.439 0.000 0.834 141 D CB -0.094 40.301 40.800 -0.674 0.000 0.955 141 D HN 0.387 nan 8.370 nan 0.000 0.465 142 M N 0.134 119.371 119.600 -0.606 0.000 2.132 142 M HA -0.147 4.332 4.480 -0.001 0.000 0.263 142 M C 2.170 178.372 176.300 -0.164 0.000 1.065 142 M CA 1.091 56.150 55.300 -0.401 0.000 1.122 142 M CB -0.147 32.255 32.600 -0.330 0.000 1.365 142 M HN -0.129 nan 8.290 nan 0.000 0.411 143 E N 0.419 120.535 120.200 -0.140 0.000 2.051 143 E HA -0.133 4.216 4.350 -0.001 0.000 0.192 143 E C 1.722 178.404 176.600 0.137 0.000 0.991 143 E CA 2.124 58.522 56.400 -0.003 0.000 0.799 143 E CB -0.305 29.425 29.700 0.050 0.000 0.748 143 E HN 0.332 nan 8.360 nan 0.000 0.449 144 T N -0.284 114.345 114.554 0.124 0.000 2.708 144 T HA -0.140 4.210 4.350 -0.001 0.000 0.266 144 T C 1.851 176.614 174.700 0.106 0.000 1.037 144 T CA 1.920 64.109 62.100 0.149 0.000 1.146 144 T CB -0.747 68.203 68.868 0.137 0.000 0.865 144 T HN 0.250 nan 8.240 nan 0.000 0.435 145 T N 0.906 115.496 114.554 0.060 0.000 2.699 145 T HA -0.149 4.200 4.350 -0.001 0.000 0.268 145 T C 1.611 176.370 174.700 0.098 0.000 1.036 145 T CA 1.478 63.622 62.100 0.075 0.000 1.147 145 T CB -0.511 68.410 68.868 0.088 0.000 0.862 145 T HN 0.484 nan 8.240 nan 0.000 0.446 146 Y N 1.717 122.031 120.300 0.023 0.000 2.163 146 Y HA -0.108 4.441 4.550 -0.001 0.000 0.288 146 Y C 2.613 178.642 175.900 0.215 0.000 1.136 146 Y CA 1.380 59.529 58.100 0.083 0.000 1.147 146 Y CB -0.304 38.198 38.460 0.071 0.000 0.987 146 Y HN 0.087 nan 8.280 nan 0.000 0.509 147 S N -0.624 115.264 115.700 0.314 0.000 2.515 147 S HA -0.078 4.391 4.470 -0.001 0.000 0.231 147 S C 1.490 176.160 174.600 0.117 0.000 0.987 147 S CA 1.105 59.447 58.200 0.237 0.000 0.936 147 S CB -0.343 63.002 63.200 0.240 0.000 0.766 147 S HN 0.510 nan 8.310 nan 0.000 0.528 148 V N -2.107 117.861 119.914 0.090 0.000 3.380 148 V HA 0.643 4.762 4.120 -0.001 0.000 0.307 148 V C 0.440 176.570 176.094 0.061 0.000 1.434 148 V CA -0.363 61.974 62.300 0.063 0.000 1.075 148 V CB -0.555 31.297 31.823 0.049 0.000 0.954 148 V HN 0.253 nan 8.190 nan 0.000 0.444 149 A N 1.833 124.689 122.820 0.059 0.000 2.425 149 A HA 0.660 4.979 4.320 -0.001 0.000 0.249 149 A C 0.627 178.299 177.584 0.146 0.000 1.084 149 A CA 0.790 52.844 52.037 0.029 0.000 0.781 149 A CB 0.014 18.911 19.000 -0.172 0.000 1.019 149 A HN 1.027 nan 8.150 nan 0.000 0.490 150 T N -1.487 113.119 114.554 0.088 0.000 2.906 150 T HA 0.641 4.990 4.350 -0.001 0.000 0.295 150 T C -0.899 173.838 174.700 0.062 0.000 1.075 150 T CA -0.710 61.457 62.100 0.112 0.000 1.005 150 T CB 1.382 70.297 68.868 0.078 0.000 1.136 150 T HN 0.695 nan 8.240 nan 0.000 0.498 151 V N 1.307 121.254 119.914 0.056 0.000 2.378 151 V HA 0.481 4.600 4.120 -0.001 0.000 0.288 151 V C -0.048 176.082 176.094 0.060 0.000 1.016 151 V CA -0.785 61.481 62.300 -0.055 0.000 0.840 151 V CB 0.768 32.432 31.823 -0.264 0.000 0.994 151 V HN 1.222 nan 8.190 nan 0.000 0.431 152 c N 4.281 122.931 118.600 0.084 0.000 2.399 152 c HA 0.637 5.206 4.570 -0.001 0.000 0.348 152 c C 0.291 174.521 174.090 0.234 0.000 1.183 152 c CA -0.765 55.662 56.329 0.163 0.000 2.023 152 c CB 0.808 43.390 42.510 0.120 0.000 2.361 152 c HN 0.797 nan 8.230 nan 0.000 0.521 153 H N 0.759 119.993 119.070 0.272 0.000 2.517 153 H HA 0.228 4.783 4.556 -0.001 0.000 0.346 153 H C -1.514 173.873 175.328 0.100 0.000 1.222 153 H CA -1.242 54.900 56.048 0.157 0.000 1.314 153 H CB 0.736 30.473 29.762 -0.041 0.000 1.609 153 H HN 0.399 nan 8.280 nan 0.000 0.571 154 P HA -0.196 nan 4.420 nan 0.000 0.215 154 P C 0.966 178.320 177.300 0.089 0.000 1.157 154 P CA 1.731 64.904 63.100 0.121 0.000 0.874 154 P CB 0.290 32.041 31.700 0.085 0.000 0.790 155 N N -0.893 117.851 118.700 0.074 0.000 2.000 155 N HA -0.088 4.651 4.740 -0.001 0.000 0.198 155 N C 1.463 177.010 175.510 0.061 0.000 1.057 155 N CA 2.417 55.494 53.050 0.045 0.000 0.858 155 N CB -1.314 37.179 38.487 0.010 0.000 1.057 155 N HN 0.270 nan 8.380 nan 0.000 0.423 156 G N -3.051 105.801 108.800 0.087 0.000 4.470 156 G HA2 -0.032 3.927 3.960 -0.001 0.000 0.220 156 G HA3 -0.032 3.927 3.960 -0.001 0.000 0.220 156 G C -0.725 174.235 174.900 0.099 0.000 0.780 156 G CA -0.144 45.006 45.100 0.083 0.000 0.977 156 G HN 0.333 nan 8.290 nan 0.000 0.749 157 S N 0.863 116.642 115.700 0.131 0.000 2.422 157 S HA 0.483 4.952 4.470 -0.001 0.000 0.283 157 S C 0.277 175.001 174.600 0.207 0.000 1.163 157 S CA -0.058 58.232 58.200 0.151 0.000 1.054 157 S CB 0.618 63.904 63.200 0.144 0.000 0.967 157 S HN 0.423 nan 8.310 nan 0.000 0.499 158 c N 4.775 123.465 118.600 0.151 0.000 2.355 158 c HA 0.643 5.212 4.570 -0.001 0.000 0.332 158 c C -0.144 174.032 174.090 0.143 0.000 1.255 158 c CA -0.953 55.464 56.329 0.146 0.000 1.792 158 c CB -0.008 42.562 42.510 0.101 0.000 2.300 158 c HN 0.644 nan 8.230 nan 0.000 0.515 159 L N 3.047 124.367 121.223 0.162 0.000 2.329 159 L HA 0.489 4.828 4.340 -0.001 0.000 0.279 159 L C 0.215 177.134 176.870 0.081 0.000 1.014 159 L CA 0.147 55.067 54.840 0.133 0.000 0.814 159 L CB 0.976 43.153 42.059 0.196 0.000 1.257 159 L HN 0.673 nan 8.230 nan 0.000 0.424 160 Q N 0.836 120.660 119.800 0.041 0.000 2.193 160 Q HA 0.270 4.609 4.340 -0.001 0.000 0.246 160 Q C 0.728 176.662 176.000 -0.111 0.000 0.959 160 Q CA -0.851 54.956 55.803 0.006 0.000 0.904 160 Q CB 1.700 30.445 28.738 0.011 0.000 1.238 160 Q HN 0.488 nan 8.270 nan 0.000 0.469 161 L N 0.892 121.955 121.223 -0.267 0.000 1.989 161 L HA -0.127 4.212 4.340 -0.001 0.000 0.211 161 L C 0.017 176.734 176.870 -0.254 0.000 1.071 161 L CA 1.989 56.509 54.840 -0.533 0.000 0.749 161 L CB 0.068 41.612 42.059 -0.857 0.000 0.890 161 L HN 0.574 nan 8.230 nan 0.000 0.431 162 E N 0.517 120.641 120.200 -0.127 0.000 2.158 162 E HA 0.264 4.613 4.350 -0.001 0.000 0.271 162 E C -1.933 174.653 176.600 -0.023 0.000 0.911 162 E CA -1.510 54.859 56.400 -0.051 0.000 0.767 162 E CB 1.418 31.114 29.700 -0.006 0.000 1.120 162 E HN 0.219 nan 8.360 nan 0.000 0.405 163 P HA 0.073 nan 4.420 nan 0.000 0.275 163 P C 0.029 177.317 177.300 -0.019 0.000 1.310 163 P CA 0.064 63.156 63.100 -0.012 0.000 0.904 163 P CB 0.732 32.438 31.700 0.011 0.000 1.381 164 D N 1.338 121.731 120.400 -0.013 0.000 2.108 164 D HA -0.151 4.488 4.640 -0.001 0.000 0.190 164 D C 2.144 178.443 176.300 -0.002 0.000 0.995 164 D CA 1.288 55.294 54.000 0.011 0.000 0.834 164 D CB -0.742 40.082 40.800 0.040 0.000 0.967 164 D HN 0.206 nan 8.370 nan 0.000 0.446 165 L N 0.697 121.882 121.223 -0.064 0.000 2.083 165 L HA -0.129 4.210 4.340 -0.001 0.000 0.209 165 L C 2.672 179.458 176.870 -0.139 0.000 1.083 165 L CA 1.103 55.879 54.840 -0.106 0.000 0.752 165 L CB -0.677 41.219 42.059 -0.271 0.000 0.899 165 L HN 0.033 nan 8.230 nan 0.000 0.433 166 T N -0.637 113.821 114.554 -0.160 0.000 2.746 166 T HA -0.209 4.140 4.350 -0.001 0.000 0.267 166 T C 1.682 176.348 174.700 -0.056 0.000 1.039 166 T CA 1.880 63.904 62.100 -0.126 0.000 1.142 166 T CB -0.337 68.485 68.868 -0.076 0.000 0.866 166 T HN 0.324 nan 8.240 nan 0.000 0.444 167 N N 0.624 119.308 118.700 -0.027 0.000 2.120 167 N HA -0.089 4.651 4.740 -0.001 0.000 0.188 167 N C 1.711 177.227 175.510 0.010 0.000 1.024 167 N CA 0.947 53.997 53.050 0.000 0.000 0.852 167 N CB -0.376 38.118 38.487 0.012 0.000 1.003 167 N HN 0.140 nan 8.380 nan 0.000 0.424 168 V N 0.689 120.617 119.914 0.022 0.000 2.295 168 V HA -0.238 3.881 4.120 -0.001 0.000 0.246 168 V C 2.314 178.427 176.094 0.032 0.000 1.049 168 V CA 1.390 63.721 62.300 0.051 0.000 1.024 168 V CB -0.488 31.403 31.823 0.113 0.000 0.648 168 V HN 0.423 nan 8.190 nan 0.000 0.447 169 M N -0.252 119.346 119.600 -0.003 0.000 2.213 169 M HA -0.099 4.380 4.480 -0.001 0.000 0.263 169 M C 2.244 178.534 176.300 -0.017 0.000 1.062 169 M CA 2.098 57.385 55.300 -0.022 0.000 1.105 169 M CB -1.452 31.099 32.600 -0.081 0.000 1.385 169 M HN 0.425 nan 8.290 nan 0.000 0.417 170 A N -0.347 122.468 122.820 -0.007 0.000 1.975 170 A HA -0.034 4.285 4.320 -0.001 0.000 0.215 170 A C 2.209 179.800 177.584 0.012 0.000 1.170 170 A CA 1.803 53.845 52.037 0.008 0.000 0.656 170 A CB -0.572 18.437 19.000 0.015 0.000 0.821 170 A HN 0.562 nan 8.150 nan 0.000 0.449 171 T N -4.234 110.328 114.554 0.013 0.000 2.978 171 T HA 0.197 4.546 4.350 -0.001 0.000 0.248 171 T C 1.037 175.746 174.700 0.016 0.000 1.018 171 T CA 0.672 62.780 62.100 0.014 0.000 1.026 171 T CB -0.481 68.397 68.868 0.016 0.000 1.032 171 T HN 0.244 nan 8.240 nan 0.000 0.485 172 S N 0.985 116.703 115.700 0.029 0.000 2.562 172 S HA 0.365 4.834 4.470 -0.001 0.000 0.281 172 S C 0.490 175.129 174.600 0.064 0.000 1.333 172 S CA -0.507 57.721 58.200 0.047 0.000 1.052 172 S CB 0.465 63.704 63.200 0.065 0.000 0.884 172 S HN 0.273 nan 8.310 nan 0.000 0.506 173 R N 2.316 122.872 120.500 0.093 0.000 2.629 173 R HA 0.321 4.661 4.340 -0.001 0.000 0.386 173 R C -0.623 175.862 176.300 0.308 0.000 1.071 173 R CA 0.016 56.215 56.100 0.165 0.000 1.104 173 R CB 0.411 30.730 30.300 0.032 0.000 1.370 173 R HN 0.537 nan 8.270 nan 0.000 0.574 174 K N 0.007 120.547 120.400 0.234 0.000 2.316 174 K HA 0.146 4.465 4.320 -0.001 0.000 0.267 174 K C -0.058 176.684 176.600 0.237 0.000 1.025 174 K CA -0.509 55.918 56.287 0.234 0.000 0.896 174 K CB 1.373 33.952 32.500 0.132 0.000 1.124 174 K HN -0.040 nan 8.250 nan 0.000 0.451 175 Y N 3.027 123.419 120.300 0.153 0.000 2.096 175 Y HA -0.361 4.188 4.550 -0.001 0.000 0.278 175 Y C 1.847 177.786 175.900 0.066 0.000 1.192 175 Y CA 1.948 60.042 58.100 -0.011 0.000 1.143 175 Y CB 0.378 38.758 38.460 -0.133 0.000 0.963 175 Y HN 0.627 nan 8.280 nan 0.000 0.505 176 E N -0.193 120.169 120.200 0.271 0.000 2.152 176 E HA -0.159 4.190 4.350 -0.001 0.000 0.192 176 E C 1.713 178.429 176.600 0.193 0.000 0.983 176 E CA 1.296 57.822 56.400 0.210 0.000 0.818 176 E CB -0.289 29.506 29.700 0.159 0.000 0.758 176 E HN 0.622 nan 8.360 nan 0.000 0.467 177 D N 0.540 121.040 120.400 0.167 0.000 2.149 177 D HA -0.046 4.593 4.640 -0.001 0.000 0.201 177 D C 2.200 178.647 176.300 0.246 0.000 0.972 177 D CA 0.416 54.530 54.000 0.191 0.000 0.835 177 D CB -0.192 40.678 40.800 0.118 0.000 0.966 177 D HN 0.143 nan 8.370 nan 0.000 0.476 178 L N 0.212 121.531 121.223 0.161 0.000 2.083 178 L HA -0.139 4.200 4.340 -0.001 0.000 0.209 178 L C 2.317 179.315 176.870 0.213 0.000 1.083 178 L CA 0.428 55.353 54.840 0.141 0.000 0.752 178 L CB -0.264 41.781 42.059 -0.024 0.000 0.899 178 L HN 0.079 nan 8.230 nan 0.000 0.433 179 L N -0.673 120.644 121.223 0.156 0.000 2.046 179 L HA -0.216 4.123 4.340 -0.001 0.000 0.208 179 L C 2.236 179.210 176.870 0.174 0.000 1.077 179 L CA 1.756 56.603 54.840 0.012 0.000 0.747 179 L CB -0.777 41.217 42.059 -0.108 0.000 0.896 179 L HN 0.319 nan 8.230 nan 0.000 0.432 180 W N 0.353 121.695 121.300 0.069 0.000 2.335 180 W HA -0.254 4.405 4.660 -0.002 0.000 0.311 180 W C 2.331 178.892 176.519 0.070 0.000 1.213 180 W CA 2.783 60.170 57.345 0.069 0.000 1.274 180 W CB -0.441 29.066 29.460 0.078 0.000 1.148 180 W HN 0.248 nan 8.180 nan 0.000 0.498 181 A N -0.776 122.160 122.820 0.194 0.000 1.898 181 A HA -0.181 4.138 4.320 -0.001 0.000 0.216 181 A C 1.734 179.281 177.584 -0.062 0.000 1.181 181 A CA 1.475 53.488 52.037 -0.040 0.000 0.620 181 A CB -1.677 17.432 19.000 0.182 0.000 0.819 181 A HN 0.621 nan 8.150 nan 0.000 0.442 182 W N 0.754 121.988 121.300 -0.109 0.000 2.354 182 W HA -0.169 4.490 4.660 -0.001 0.000 0.315 182 W C 2.122 178.584 176.519 -0.095 0.000 1.206 182 W CA 2.113 59.403 57.345 -0.092 0.000 1.290 182 W CB -0.038 29.374 29.460 -0.080 0.000 1.152 182 W HN 0.383 nan 8.180 nan 0.000 0.489 183 E N -0.220 120.068 120.200 0.147 0.000 2.072 183 E HA -0.053 4.296 4.350 -0.001 0.000 0.191 183 E C 2.408 178.858 176.600 -0.251 0.000 0.985 183 E CA 2.083 58.463 56.400 -0.034 0.000 0.801 183 E CB -1.110 28.635 29.700 0.074 0.000 0.750 183 E HN 0.212 nan 8.360 nan 0.000 0.452 184 G N 0.776 109.352 108.800 -0.373 0.000 2.446 184 G HA2 -0.303 3.656 3.960 -0.001 0.000 0.217 184 G HA3 -0.303 3.656 3.960 -0.001 0.000 0.217 184 G C 1.496 176.205 174.900 -0.319 0.000 1.168 184 G CA 0.808 45.612 45.100 -0.492 0.000 0.771 184 G HN 0.480 nan 8.290 nan 0.000 0.551 185 W N 1.407 122.436 121.300 -0.451 0.000 2.355 185 W HA -0.094 4.565 4.660 -0.001 0.000 0.309 185 W C 2.679 179.005 176.519 -0.321 0.000 1.206 185 W CA 1.187 58.314 57.345 -0.365 0.000 1.284 185 W CB 0.001 29.238 29.460 -0.372 0.000 1.145 185 W HN 0.181 nan 8.180 nan 0.000 0.502 186 R N 0.155 120.375 120.500 -0.467 0.000 2.092 186 R HA -0.155 4.184 4.340 -0.001 0.000 0.231 186 R C 1.752 177.811 176.300 -0.401 0.000 1.119 186 R CA 1.847 57.638 56.100 -0.514 0.000 0.970 186 R CB -0.528 29.455 30.300 -0.529 0.000 0.864 186 R HN 0.063 nan 8.270 nan 0.000 0.440 187 D N 0.401 120.607 120.400 -0.324 0.000 2.117 187 D HA -0.132 4.508 4.640 -0.001 0.000 0.197 187 D C 1.673 177.823 176.300 -0.249 0.000 0.987 187 D CA 1.205 55.064 54.000 -0.235 0.000 0.829 187 D CB 0.087 40.771 40.800 -0.194 0.000 0.961 187 D HN 0.048 nan 8.370 nan 0.000 0.460 188 K N 0.342 120.545 120.400 -0.329 0.000 2.128 188 K HA 0.188 4.507 4.320 -0.001 0.000 0.202 188 K C 1.929 178.279 176.600 -0.417 0.000 1.050 188 K CA 0.715 56.813 56.287 -0.313 0.000 0.966 188 K CB -0.285 32.055 32.500 -0.267 0.000 0.759 188 K HN 0.059 nan 8.250 nan 0.000 0.454 189 A N 0.984 123.352 122.820 -0.753 0.000 1.871 189 A HA 0.139 4.458 4.320 -0.001 0.000 0.211 189 A C 2.435 179.772 177.584 -0.412 0.000 1.207 189 A CA 1.411 52.986 52.037 -0.771 0.000 0.620 189 A CB -1.128 16.892 19.000 -1.633 0.000 0.860 189 A HN 0.287 nan 8.150 nan 0.000 0.450 190 G N -0.022 108.502 108.800 -0.459 0.000 2.480 190 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.216 190 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.216 190 G C 1.735 176.608 174.900 -0.044 0.000 1.200 190 G CA 1.001 45.948 45.100 -0.254 0.000 0.782 190 G HN 0.524 nan 8.290 nan 0.000 0.554 191 R N 0.558 121.004 120.500 -0.089 0.000 2.105 191 R HA -0.004 4.336 4.340 -0.001 0.000 0.239 191 R C 2.915 179.208 176.300 -0.011 0.000 1.135 191 R CA 1.082 57.169 56.100 -0.021 0.000 0.967 191 R CB -0.379 29.884 30.300 -0.062 0.000 0.861 191 R HN 0.363 nan 8.270 nan 0.000 0.442 192 A N 0.907 123.707 122.820 -0.034 0.000 2.121 192 A HA -0.073 4.246 4.320 -0.001 0.000 0.218 192 A C 1.891 179.555 177.584 0.134 0.000 1.154 192 A CA 0.930 52.977 52.037 0.016 0.000 0.679 192 A CB -0.140 18.859 19.000 -0.002 0.000 0.795 192 A HN 0.096 nan 8.150 nan 0.000 0.458 193 I N -0.915 119.757 120.570 0.169 0.000 2.852 193 I HA -0.049 4.120 4.170 -0.001 0.000 0.264 193 I C 2.141 178.374 176.117 0.194 0.000 1.179 193 I CA 0.543 62.031 61.300 0.313 0.000 1.480 193 I CB -0.930 37.249 38.000 0.298 0.000 1.111 193 I HN 0.324 nan 8.210 nan 0.000 0.441 194 L N 1.926 123.154 121.223 0.008 0.000 2.081 194 L HA -0.249 4.090 4.340 -0.001 0.000 0.212 194 L C 2.605 179.370 176.870 -0.174 0.000 1.080 194 L CA 2.067 56.739 54.840 -0.280 0.000 0.754 194 L CB -0.782 41.175 42.059 -0.171 0.000 0.893 194 L HN 0.472 nan 8.230 nan 0.000 0.433 195 Q N -2.411 117.256 119.800 -0.221 0.000 2.291 195 Q HA -0.179 4.160 4.340 -0.001 0.000 0.205 195 Q C 1.707 177.493 176.000 -0.356 0.000 0.970 195 Q CA 1.902 57.495 55.803 -0.349 0.000 0.876 195 Q CB -0.547 27.867 28.738 -0.540 0.000 0.935 195 Q HN 0.534 nan 8.270 nan 0.000 0.455 196 F N -1.517 118.454 119.950 0.035 0.000 2.505 196 F HA 0.135 4.661 4.527 -0.001 0.000 0.289 196 F C 1.716 177.596 175.800 0.134 0.000 1.101 196 F CA -0.239 57.804 58.000 0.072 0.000 1.446 196 F CB -0.138 38.896 39.000 0.057 0.000 1.123 196 F HN -0.070 nan 8.300 nan 0.000 0.564 197 Y N 1.733 122.123 120.300 0.150 0.000 2.114 197 Y HA -0.163 4.387 4.550 -0.001 0.000 0.282 197 Y C -0.632 175.433 175.900 0.275 0.000 1.165 197 Y CA 1.863 60.064 58.100 0.168 0.000 1.148 197 Y CB -1.788 36.578 38.460 -0.157 0.000 0.972 197 Y HN -0.061 nan 8.280 nan 0.000 0.504 198 P HA -0.192 nan 4.420 nan 0.000 0.216 198 P C 1.436 178.811 177.300 0.124 0.000 1.150 198 P CA 2.121 65.357 63.100 0.227 0.000 0.837 198 P CB 0.046 31.831 31.700 0.142 0.000 0.786 199 K N -1.129 119.352 120.400 0.136 0.000 2.103 199 K HA -0.157 4.163 4.320 -0.001 0.000 0.204 199 K C 2.136 178.820 176.600 0.141 0.000 1.052 199 K CA 1.137 57.495 56.287 0.119 0.000 0.945 199 K CB -1.392 31.193 32.500 0.142 0.000 0.722 199 K HN 0.093 nan 8.250 nan 0.000 0.443 200 Y N -0.020 120.306 120.300 0.044 0.000 2.145 200 Y HA -0.187 4.362 4.550 -0.001 0.000 0.286 200 Y C 1.657 177.550 175.900 -0.012 0.000 1.145 200 Y CA 1.666 59.796 58.100 0.050 0.000 1.148 200 Y CB -0.546 37.866 38.460 -0.081 0.000 0.981 200 Y HN -0.143 nan 8.280 nan 0.000 0.507 201 V N 1.262 120.981 119.914 -0.326 0.000 2.343 201 V HA -0.307 3.812 4.120 -0.001 0.000 0.247 201 V C 2.481 178.427 176.094 -0.247 0.000 1.051 201 V CA 2.315 64.410 62.300 -0.342 0.000 1.036 201 V CB -0.775 31.005 31.823 -0.072 0.000 0.654 201 V HN 0.590 nan 8.190 nan 0.000 0.451 202 E N 0.063 120.182 120.200 -0.135 0.000 2.051 202 E HA -0.217 4.132 4.350 -0.001 0.000 0.192 202 E C 2.228 178.714 176.600 -0.190 0.000 0.991 202 E CA 1.528 57.856 56.400 -0.120 0.000 0.799 202 E CB -0.150 29.517 29.700 -0.054 0.000 0.748 202 E HN 0.576 nan 8.360 nan 0.000 0.449 203 L N 0.693 121.799 121.223 -0.195 0.000 2.056 203 L HA -0.107 4.233 4.340 -0.001 0.000 0.207 203 L C 2.749 179.273 176.870 -0.576 0.000 1.078 203 L CA 0.790 55.450 54.840 -0.301 0.000 0.749 203 L CB -0.299 41.669 42.059 -0.153 0.000 0.901 203 L HN 0.304 nan 8.230 nan 0.000 0.433 204 I N -0.104 120.074 120.570 -0.652 0.000 2.439 204 I HA -0.243 3.926 4.170 -0.001 0.000 0.251 204 I C 2.161 177.919 176.117 -0.598 0.000 1.139 204 I CA 1.017 61.882 61.300 -0.726 0.000 1.438 204 I CB -0.040 37.540 38.000 -0.699 0.000 1.085 204 I HN 0.323 nan 8.210 nan 0.000 0.427 205 N N 0.694 119.081 118.700 -0.522 0.000 2.142 205 N HA -0.237 4.502 4.740 -0.001 0.000 0.186 205 N C 1.703 177.041 175.510 -0.287 0.000 1.023 205 N CA 1.122 53.927 53.050 -0.409 0.000 0.852 205 N CB -0.300 38.014 38.487 -0.289 0.000 0.998 205 N HN 0.494 nan 8.380 nan 0.000 0.424 206 Q N 0.340 119.981 119.800 -0.265 0.000 2.050 206 Q HA -0.071 4.268 4.340 -0.001 0.000 0.202 206 Q C 1.852 177.736 176.000 -0.193 0.000 0.980 206 Q CA 1.679 57.364 55.803 -0.197 0.000 0.840 206 Q CB -0.096 28.534 28.738 -0.180 0.000 0.898 206 Q HN 0.353 nan 8.270 nan 0.000 0.424 207 A N 0.740 123.402 122.820 -0.263 0.000 1.908 207 A HA -0.168 4.152 4.320 -0.001 0.000 0.218 207 A C 2.272 179.774 177.584 -0.136 0.000 1.181 207 A CA 1.798 53.707 52.037 -0.214 0.000 0.627 207 A CB -1.010 17.808 19.000 -0.304 0.000 0.818 207 A HN 0.566 nan 8.150 nan 0.000 0.445 208 A N -0.176 122.539 122.820 -0.176 0.000 1.883 208 A HA -0.190 4.129 4.320 -0.001 0.000 0.217 208 A C 2.252 179.849 177.584 0.021 0.000 1.186 208 A CA 1.588 53.580 52.037 -0.075 0.000 0.624 208 A CB -0.494 18.372 19.000 -0.223 0.000 0.822 208 A HN 0.557 nan 8.150 nan 0.000 0.444 209 R N -0.641 119.823 120.500 -0.060 0.000 2.115 209 R HA 0.026 4.366 4.340 -0.001 0.000 0.230 209 R C 1.702 177.971 176.300 -0.051 0.000 1.111 209 R CA 1.149 57.219 56.100 -0.049 0.000 0.976 209 R CB -0.447 29.809 30.300 -0.073 0.000 0.870 209 R HN 0.494 nan 8.270 nan 0.000 0.445 210 L N 0.885 122.074 121.223 -0.057 0.000 2.551 210 L HA -0.045 4.294 4.340 -0.001 0.000 0.228 210 L C 0.968 177.815 176.870 -0.038 0.000 1.153 210 L CA 0.528 55.337 54.840 -0.052 0.000 0.851 210 L CB -0.119 41.906 42.059 -0.058 0.000 0.959 210 L HN 0.177 nan 8.230 nan 0.000 0.451 211 N N -0.213 118.478 118.700 -0.016 0.000 2.204 211 N HA 0.134 4.873 4.740 -0.001 0.000 0.219 211 N C 1.160 176.574 175.510 -0.160 0.000 1.151 211 N CA 0.845 53.887 53.050 -0.013 0.000 0.867 211 N CB 1.426 39.981 38.487 0.113 0.000 1.043 211 N HN 0.286 nan 8.380 nan 0.000 0.516 212 G N 0.366 109.062 108.800 -0.174 0.000 2.157 212 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.239 212 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.239 212 G C -0.297 174.375 174.900 -0.381 0.000 0.982 212 G CA -0.095 44.833 45.100 -0.286 0.000 0.650 212 G HN 0.334 nan 8.290 nan 0.000 0.527 213 Y N -0.888 119.371 120.300 -0.068 0.000 2.488 213 Y HA 0.459 5.009 4.550 -0.001 0.000 0.325 213 Y C 1.813 177.655 175.900 -0.097 0.000 1.204 213 Y CA -0.350 57.702 58.100 -0.080 0.000 1.229 213 Y CB 1.437 39.839 38.460 -0.097 0.000 1.274 213 Y HN 0.249 nan 8.280 nan 0.000 0.493 214 V N -2.266 117.696 119.914 0.080 0.000 2.788 214 V HA 0.081 4.200 4.120 -0.001 0.000 0.251 214 V C -0.405 175.660 176.094 -0.048 0.000 1.068 214 V CA 1.582 63.879 62.300 -0.005 0.000 1.090 214 V CB -0.756 31.058 31.823 -0.015 0.000 0.710 214 V HN 0.903 nan 8.190 nan 0.000 0.467 215 D N -3.165 117.187 120.400 -0.080 0.000 2.764 215 D HA 0.562 5.201 4.640 -0.001 0.000 0.293 215 D C 0.642 176.716 176.300 -0.378 0.000 1.287 215 D CA -0.022 53.856 54.000 -0.203 0.000 0.768 215 D CB 0.925 41.633 40.800 -0.154 0.000 1.288 215 D HN 0.133 nan 8.370 nan 0.000 0.426 216 A N -0.004 122.393 122.820 -0.706 0.000 1.940 216 A HA 0.115 4.434 4.320 -0.001 0.000 0.219 216 A C 2.053 178.998 177.584 -1.065 0.000 1.176 216 A CA 2.337 53.677 52.037 -1.162 0.000 0.631 216 A CB -1.589 16.120 19.000 -2.151 0.000 0.814 216 A HN 0.704 nan 8.150 nan 0.000 0.446 217 G N -0.209 108.244 108.800 -0.579 0.000 2.418 217 G HA2 -0.295 3.664 3.960 -0.001 0.000 0.217 217 G HA3 -0.295 3.664 3.960 -0.001 0.000 0.217 217 G C 1.313 176.041 174.900 -0.286 0.000 1.158 217 G CA 1.426 46.448 45.100 -0.131 0.000 0.771 217 G HN 0.567 nan 8.290 nan 0.000 0.545 218 D N 0.356 120.585 120.400 -0.285 0.000 2.104 218 D HA -0.139 4.501 4.640 -0.001 0.000 0.194 218 D C 2.611 178.719 176.300 -0.320 0.000 0.994 218 D CA 1.652 55.522 54.000 -0.217 0.000 0.830 218 D CB -0.467 40.291 40.800 -0.071 0.000 0.959 218 D HN 0.196 nan 8.370 nan 0.000 0.452 219 S N -1.180 114.160 115.700 -0.600 0.000 2.359 219 S HA -0.162 4.308 4.470 -0.001 0.000 0.224 219 S C 1.843 176.263 174.600 -0.300 0.000 1.035 219 S CA 1.495 59.063 58.200 -1.053 0.000 1.018 219 S CB -0.576 62.119 63.200 -0.842 0.000 0.876 219 S HN 0.437 nan 8.310 nan 0.000 0.448 220 W N 1.846 122.991 121.300 -0.258 0.000 2.358 220 W HA 0.124 4.783 4.660 -0.001 0.000 0.303 220 W C 2.633 179.190 176.519 0.063 0.000 1.208 220 W CA 0.330 57.655 57.345 -0.033 0.000 1.274 220 W CB -1.117 28.442 29.460 0.165 0.000 1.138 220 W HN 0.369 nan 8.180 nan 0.000 0.515 221 R N 0.474 121.112 120.500 0.230 0.000 2.120 221 R HA -0.126 4.213 4.340 -0.001 0.000 0.234 221 R C 2.290 178.739 176.300 0.247 0.000 1.123 221 R CA 1.733 57.946 56.100 0.190 0.000 0.975 221 R CB -0.891 29.303 30.300 -0.177 0.000 0.866 221 R HN 0.166 nan 8.270 nan 0.000 0.446 222 S N 0.698 116.478 115.700 0.133 0.000 2.469 222 S HA -0.136 4.333 4.470 -0.001 0.000 0.238 222 S C 1.911 176.641 174.600 0.217 0.000 0.998 222 S CA 0.898 59.210 58.200 0.188 0.000 0.957 222 S CB -0.201 63.123 63.200 0.208 0.000 0.764 222 S HN 0.249 nan 8.310 nan 0.000 0.514 223 M N -0.382 119.309 119.600 0.150 0.000 2.446 223 M HA -0.033 4.446 4.480 -0.001 0.000 0.263 223 M C 1.011 177.306 176.300 -0.008 0.000 1.066 223 M CA 1.353 56.655 55.300 0.003 0.000 1.087 223 M CB -0.497 31.984 32.600 -0.197 0.000 1.406 223 M HN 0.408 nan 8.290 nan 0.000 0.459 224 Y N 0.088 120.540 120.300 0.253 0.000 2.462 224 Y HA 0.074 4.623 4.550 -0.001 0.000 0.261 224 Y C 0.531 176.693 175.900 0.436 0.000 1.146 224 Y CA -0.072 58.233 58.100 0.342 0.000 1.283 224 Y CB 0.007 38.632 38.460 0.276 0.000 1.090 224 Y HN 0.237 nan 8.280 nan 0.000 0.526 225 E N 0.532 120.984 120.200 0.420 0.000 2.328 225 E HA -0.208 4.141 4.350 -0.001 0.000 0.233 225 E C -0.670 176.104 176.600 0.289 0.000 1.219 225 E CA 0.829 57.408 56.400 0.299 0.000 0.717 225 E CB -1.824 28.011 29.700 0.224 0.000 1.210 225 E HN 0.206 nan 8.360 nan 0.000 0.381 226 T N -0.309 114.449 114.554 0.339 0.000 3.009 226 T HA 0.266 4.615 4.350 -0.001 0.000 0.346 226 T C -1.871 172.950 174.700 0.202 0.000 1.092 226 T CA -1.226 61.053 62.100 0.299 0.000 1.080 226 T CB 1.619 70.774 68.868 0.479 0.000 1.037 226 T HN -0.163 nan 8.240 nan 0.000 0.487 227 P HA -0.124 nan 4.420 nan 0.000 0.217 227 P C 1.477 178.829 177.300 0.087 0.000 1.148 227 P CA 0.862 64.018 63.100 0.094 0.000 0.828 227 P CB 0.154 31.897 31.700 0.071 0.000 0.783 228 S N -1.969 113.798 115.700 0.111 0.000 2.631 228 S HA 0.053 4.522 4.470 -0.001 0.000 0.217 228 S C 1.588 176.265 174.600 0.128 0.000 0.958 228 S CA -0.269 57.996 58.200 0.110 0.000 0.920 228 S CB -1.157 62.113 63.200 0.118 0.000 0.776 228 S HN -0.076 nan 8.310 nan 0.000 0.517 229 L N 2.691 123.993 121.223 0.130 0.000 1.991 229 L HA -0.214 4.125 4.340 -0.001 0.000 0.221 229 L C 2.404 179.339 176.870 0.108 0.000 1.079 229 L CA 2.156 57.067 54.840 0.118 0.000 0.778 229 L CB -0.883 41.215 42.059 0.065 0.000 0.893 229 L HN 0.368 nan 8.230 nan 0.000 0.437 230 E N -1.094 119.145 120.200 0.064 0.000 2.085 230 E HA -0.302 4.047 4.350 -0.001 0.000 0.194 230 E C 2.140 178.835 176.600 0.158 0.000 0.994 230 E CA 1.776 58.243 56.400 0.112 0.000 0.801 230 E CB -0.230 29.498 29.700 0.046 0.000 0.743 230 E HN 0.695 nan 8.360 nan 0.000 0.453 231 Q N 0.497 120.376 119.800 0.131 0.000 2.079 231 Q HA -0.149 4.190 4.340 -0.001 0.000 0.200 231 Q C 1.912 178.009 176.000 0.163 0.000 0.974 231 Q CA 1.195 57.082 55.803 0.139 0.000 0.840 231 Q CB 0.057 28.863 28.738 0.112 0.000 0.898 231 Q HN 0.218 nan 8.270 nan 0.000 0.430 232 D N 0.756 121.258 120.400 0.170 0.000 2.104 232 D HA -0.159 4.481 4.640 -0.001 0.000 0.194 232 D C 1.940 178.378 176.300 0.231 0.000 0.994 232 D CA 1.078 55.195 54.000 0.195 0.000 0.830 232 D CB -0.144 40.787 40.800 0.219 0.000 0.959 232 D HN 0.228 nan 8.370 nan 0.000 0.452 233 L N 0.477 121.853 121.223 0.254 0.000 2.093 233 L HA -0.154 4.185 4.340 -0.001 0.000 0.208 233 L C 2.448 179.483 176.870 0.274 0.000 1.085 233 L CA 0.897 55.939 54.840 0.337 0.000 0.755 233 L CB -0.355 41.875 42.059 0.285 0.000 0.904 233 L HN -0.034 nan 8.230 nan 0.000 0.435 234 E N 0.833 121.183 120.200 0.250 0.000 2.077 234 E HA -0.194 4.155 4.350 -0.001 0.000 0.193 234 E C 2.272 178.978 176.600 0.175 0.000 0.989 234 E CA 1.378 57.896 56.400 0.198 0.000 0.800 234 E CB 0.024 29.863 29.700 0.231 0.000 0.746 234 E HN 0.227 nan 8.360 nan 0.000 0.452 235 R N -0.244 120.359 120.500 0.172 0.000 2.075 235 R HA -0.041 4.298 4.340 -0.001 0.000 0.232 235 R C 2.561 178.942 176.300 0.134 0.000 1.126 235 R CA 1.389 57.573 56.100 0.140 0.000 0.963 235 R CB -0.410 29.968 30.300 0.130 0.000 0.858 235 R HN 0.266 nan 8.270 nan 0.000 0.435 236 L N -0.386 120.951 121.223 0.189 0.000 2.046 236 L HA -0.196 4.144 4.340 -0.001 0.000 0.208 236 L C 2.349 179.324 176.870 0.175 0.000 1.077 236 L CA 1.172 56.124 54.840 0.187 0.000 0.747 236 L CB -0.490 41.734 42.059 0.274 0.000 0.896 236 L HN 0.125 nan 8.230 nan 0.000 0.432 237 F N 0.822 120.818 119.950 0.075 0.000 2.102 237 F HA -0.250 4.276 4.527 -0.001 0.000 0.298 237 F C 2.726 178.485 175.800 -0.069 0.000 1.105 237 F CA 1.557 59.496 58.000 -0.102 0.000 1.239 237 F CB -0.240 38.314 39.000 -0.744 0.000 0.991 237 F HN 0.047 nan 8.300 nan 0.000 0.474 238 Q N 0.668 120.413 119.800 -0.092 0.000 2.170 238 Q HA -0.205 4.134 4.340 -0.001 0.000 0.203 238 Q C 2.102 178.014 176.000 -0.147 0.000 0.976 238 Q CA 1.853 57.581 55.803 -0.125 0.000 0.858 238 Q CB -0.581 28.180 28.738 0.038 0.000 0.907 238 Q HN 0.630 nan 8.270 nan 0.000 0.433 239 E N 0.063 120.211 120.200 -0.088 0.000 2.204 239 E HA -0.091 4.258 4.350 -0.001 0.000 0.194 239 E C 1.601 178.138 176.600 -0.105 0.000 0.989 239 E CA 0.458 56.820 56.400 -0.063 0.000 0.824 239 E CB 0.063 29.754 29.700 -0.015 0.000 0.756 239 E HN 0.242 nan 8.360 nan 0.000 0.477 240 L N 0.896 122.010 121.223 -0.181 0.000 2.592 240 L HA -0.027 4.312 4.340 -0.001 0.000 0.227 240 L C 2.227 178.971 176.870 -0.211 0.000 1.127 240 L CA -0.034 54.695 54.840 -0.185 0.000 0.884 240 L CB 0.152 42.097 42.059 -0.191 0.000 1.065 240 L HN 0.017 nan 8.230 nan 0.000 0.457 241 Q N 0.457 120.084 119.800 -0.288 0.000 2.030 241 Q HA -0.170 4.169 4.340 -0.001 0.000 0.204 241 Q C -0.245 175.718 176.000 -0.062 0.000 0.986 241 Q CA 1.913 57.587 55.803 -0.215 0.000 0.843 241 Q CB -1.360 27.245 28.738 -0.222 0.000 0.904 241 Q HN 0.340 nan 8.270 nan 0.000 0.420 242 P HA -0.166 nan 4.420 nan 0.000 0.216 242 P C 1.545 178.835 177.300 -0.016 0.000 1.153 242 P CA 0.924 64.004 63.100 -0.033 0.000 0.858 242 P CB -0.107 31.575 31.700 -0.030 0.000 0.789 243 L N -1.799 119.411 121.223 -0.023 0.000 2.027 243 L HA -0.147 4.192 4.340 -0.001 0.000 0.206 243 L C 2.350 179.219 176.870 -0.003 0.000 1.074 243 L CA 1.780 56.604 54.840 -0.027 0.000 0.745 243 L CB -1.718 40.298 42.059 -0.073 0.000 0.898 243 L HN -0.066 nan 8.230 nan 0.000 0.433 244 Y N -0.249 120.001 120.300 -0.083 0.000 2.145 244 Y HA -0.225 4.324 4.550 -0.001 0.000 0.286 244 Y C 2.290 178.259 175.900 0.116 0.000 1.145 244 Y CA 1.865 59.953 58.100 -0.020 0.000 1.148 244 Y CB -0.391 38.053 38.460 -0.028 0.000 0.981 244 Y HN 0.178 nan 8.280 nan 0.000 0.507 245 L N 0.141 121.350 121.223 -0.024 0.000 2.083 245 L HA -0.264 4.075 4.340 -0.001 0.000 0.209 245 L C 2.242 179.121 176.870 0.016 0.000 1.083 245 L CA 1.410 56.228 54.840 -0.036 0.000 0.752 245 L CB -0.627 41.418 42.059 -0.023 0.000 0.899 245 L HN 0.317 nan 8.230 nan 0.000 0.433 246 N N 0.025 118.732 118.700 0.013 0.000 2.216 246 N HA -0.139 4.600 4.740 -0.001 0.000 0.183 246 N C 1.847 177.418 175.510 0.103 0.000 1.017 246 N CA 1.005 54.086 53.050 0.052 0.000 0.861 246 N CB 0.004 38.509 38.487 0.029 0.000 0.986 246 N HN 0.198 nan 8.380 nan 0.000 0.428 247 L N 0.735 121.992 121.223 0.057 0.000 2.072 247 L HA -0.105 4.234 4.340 -0.001 0.000 0.205 247 L C 2.273 179.291 176.870 0.246 0.000 1.079 247 L CA 1.747 56.670 54.840 0.139 0.000 0.752 247 L CB -0.841 41.240 42.059 0.036 0.000 0.906 247 L HN 0.188 nan 8.230 nan 0.000 0.436 248 H N -0.455 118.604 119.070 -0.018 0.000 2.290 248 H HA -0.132 4.424 4.556 -0.001 0.000 0.298 248 H C 2.090 177.499 175.328 0.134 0.000 1.087 248 H CA 2.091 58.194 56.048 0.091 0.000 1.291 248 H CB -0.083 29.618 29.762 -0.101 0.000 1.369 248 H HN 0.427 nan 8.280 nan 0.000 0.492 249 A N -0.204 122.783 122.820 0.279 0.000 1.902 249 A HA -0.217 4.103 4.320 -0.001 0.000 0.217 249 A C 2.329 179.977 177.584 0.107 0.000 1.181 249 A CA 1.638 53.789 52.037 0.190 0.000 0.623 249 A CB -1.300 17.806 19.000 0.176 0.000 0.818 249 A HN 0.724 nan 8.150 nan 0.000 0.443 250 Y N 0.488 120.814 120.300 0.043 0.000 2.163 250 Y HA -0.145 4.404 4.550 -0.001 0.000 0.288 250 Y C 2.315 178.222 175.900 0.012 0.000 1.136 250 Y CA 1.906 60.024 58.100 0.030 0.000 1.147 250 Y CB -0.338 38.182 38.460 0.100 0.000 0.987 250 Y HN 0.054 nan 8.280 nan 0.000 0.509 251 V N 1.148 121.078 119.914 0.026 0.000 2.427 251 V HA -0.277 3.842 4.120 -0.001 0.000 0.248 251 V C 2.536 178.497 176.094 -0.221 0.000 1.051 251 V CA 2.191 64.427 62.300 -0.108 0.000 1.048 251 V CB -0.746 31.102 31.823 0.042 0.000 0.666 251 V HN 0.371 nan 8.190 nan 0.000 0.456 252 R N 0.310 120.677 120.500 -0.221 0.000 2.096 252 R HA -0.234 4.105 4.340 -0.001 0.000 0.235 252 R C 2.434 178.661 176.300 -0.122 0.000 1.127 252 R CA 1.922 57.902 56.100 -0.200 0.000 0.968 252 R CB -0.213 29.973 30.300 -0.191 0.000 0.861 252 R HN 0.388 nan 8.270 nan 0.000 0.440 253 R N 0.579 120.975 120.500 -0.173 0.000 2.081 253 R HA -0.016 4.323 4.340 -0.001 0.000 0.235 253 R C 1.956 178.150 176.300 -0.176 0.000 1.131 253 R CA 1.930 57.909 56.100 -0.202 0.000 0.960 253 R CB -0.708 29.414 30.300 -0.296 0.000 0.856 253 R HN 0.307 nan 8.270 nan 0.000 0.436 254 A N 0.470 123.122 122.820 -0.280 0.000 1.933 254 A HA -0.050 4.269 4.320 -0.001 0.000 0.218 254 A C 2.253 179.788 177.584 -0.081 0.000 1.175 254 A CA 1.407 53.305 52.037 -0.233 0.000 0.628 254 A CB -0.546 18.251 19.000 -0.338 0.000 0.814 254 A HN 0.367 nan 8.150 nan 0.000 0.444 255 L N -1.407 119.792 121.223 -0.041 0.000 2.093 255 L HA -0.166 4.174 4.340 -0.001 0.000 0.208 255 L C 2.703 179.676 176.870 0.171 0.000 1.085 255 L CA 1.396 56.300 54.840 0.107 0.000 0.755 255 L CB -0.677 41.410 42.059 0.047 0.000 0.904 255 L HN 0.610 nan 8.230 nan 0.000 0.435 256 H N 0.887 119.958 119.070 0.001 0.000 2.353 256 H HA -0.177 4.378 4.556 -0.001 0.000 0.300 256 H C 2.371 177.692 175.328 -0.013 0.000 1.090 256 H CA 1.714 57.764 56.048 0.003 0.000 1.327 256 H CB 0.194 29.930 29.762 -0.042 0.000 1.383 256 H HN 0.194 nan 8.280 nan 0.000 0.508 257 R N -1.114 119.451 120.500 0.109 0.000 2.081 257 R HA -0.155 4.184 4.340 -0.001 0.000 0.235 257 R C 2.411 178.682 176.300 -0.048 0.000 1.131 257 R CA 1.836 57.953 56.100 0.027 0.000 0.960 257 R CB -0.184 30.109 30.300 -0.012 0.000 0.856 257 R HN 0.408 nan 8.270 nan 0.000 0.436 258 H N -1.646 117.331 119.070 -0.154 0.000 2.370 258 H HA -0.003 4.552 4.556 -0.001 0.000 0.304 258 H C 0.928 176.032 175.328 -0.373 0.000 1.055 258 H CA 1.517 57.381 56.048 -0.307 0.000 1.373 258 H CB 0.133 29.615 29.762 -0.467 0.000 1.423 258 H HN 0.189 nan 8.280 nan 0.000 0.533 259 Y N -0.040 120.221 120.300 -0.065 0.000 2.482 259 Y HA 0.280 4.829 4.550 -0.002 0.000 0.270 259 Y C 1.028 176.891 175.900 -0.061 0.000 1.152 259 Y CA 0.294 58.348 58.100 -0.076 0.000 1.292 259 Y CB 0.703 39.201 38.460 0.063 0.000 1.070 259 Y HN 0.453 nan 8.280 nan 0.000 0.528 260 G N -0.186 108.577 108.800 -0.060 0.000 2.712 260 G HA2 0.019 3.979 3.960 -0.001 0.000 0.686 260 G HA3 0.019 3.979 3.960 -0.001 0.000 0.686 260 G C 0.542 175.239 174.900 -0.338 0.000 1.181 260 G CA -0.570 44.425 45.100 -0.175 0.000 0.762 260 G HN 0.351 nan 8.290 nan 0.000 0.641 261 A N 0.403 122.927 122.820 -0.494 0.000 2.019 261 A HA 0.002 4.321 4.320 -0.001 0.000 0.219 261 A C 2.198 179.641 177.584 -0.235 0.000 1.164 261 A CA 2.283 54.052 52.037 -0.447 0.000 0.644 261 A CB -0.219 18.663 19.000 -0.198 0.000 0.805 261 A HN 0.736 nan 8.150 nan 0.000 0.449 262 Q N -0.730 118.873 119.800 -0.328 0.000 2.436 262 Q HA -0.076 4.264 4.340 -0.001 0.000 0.209 262 Q C 0.725 176.362 176.000 -0.605 0.000 0.965 262 Q CA 0.909 56.439 55.803 -0.455 0.000 0.910 262 Q CB -0.082 28.308 28.738 -0.579 0.000 0.980 262 Q HN 0.850 nan 8.270 nan 0.000 0.491 263 H N -1.439 117.547 119.070 -0.140 0.000 2.986 263 H HA 0.264 4.820 4.556 -0.001 0.000 0.267 263 H C 0.153 175.462 175.328 -0.032 0.000 1.072 263 H CA -0.054 55.914 56.048 -0.132 0.000 1.202 263 H CB 1.723 31.337 29.762 -0.247 0.000 1.535 263 H HN -0.007 nan 8.280 nan 0.000 0.522 264 I N 2.258 122.863 120.570 0.058 0.000 2.439 264 I HA 0.099 4.268 4.170 -0.001 0.000 0.285 264 I C 0.053 176.256 176.117 0.142 0.000 1.021 264 I CA -0.752 60.610 61.300 0.103 0.000 1.091 264 I CB 1.849 39.935 38.000 0.143 0.000 1.242 264 I HN -0.003 nan 8.210 nan 0.000 0.439 265 N N 6.702 125.461 118.700 0.098 0.000 2.406 265 N HA 0.246 4.986 4.740 -0.001 0.000 0.251 265 N C 0.778 176.346 175.510 0.096 0.000 1.069 265 N CA -0.185 52.921 53.050 0.094 0.000 0.947 265 N CB 1.045 39.576 38.487 0.073 0.000 1.111 265 N HN 0.563 nan 8.380 nan 0.000 0.497 266 L N 2.334 123.600 121.223 0.071 0.000 2.549 266 L HA -0.059 4.280 4.340 -0.001 0.000 0.230 266 L C 0.771 177.676 176.870 0.057 0.000 1.162 266 L CA 1.025 55.870 54.840 0.008 0.000 0.834 266 L CB -0.041 41.950 42.059 -0.112 0.000 0.947 266 L HN 0.596 nan 8.230 nan 0.000 0.452 267 E N -0.901 119.352 120.200 0.088 0.000 2.693 267 E HA 0.229 4.578 4.350 -0.001 0.000 0.214 267 E C 0.696 177.406 176.600 0.184 0.000 0.990 267 E CA -0.125 56.346 56.400 0.118 0.000 1.047 267 E CB 0.980 30.726 29.700 0.077 0.000 1.039 267 E HN 0.354 nan 8.360 nan 0.000 0.475 268 G N 1.971 110.890 108.800 0.198 0.000 3.140 268 G HA2 0.446 4.405 3.960 -0.001 0.000 0.271 268 G HA3 0.446 4.405 3.960 -0.001 0.000 0.271 268 G C -2.806 172.240 174.900 0.243 0.000 1.370 268 G CA -1.330 43.908 45.100 0.230 0.000 1.014 268 G HN -0.196 nan 8.290 nan 0.000 0.541 269 P HA 0.335 nan 4.420 nan 0.000 0.274 269 P C -0.562 176.738 177.300 -0.000 0.000 1.246 269 P CA -0.170 62.911 63.100 -0.032 0.000 0.795 269 P CB 1.455 33.046 31.700 -0.182 0.000 1.006 270 I N 1.859 122.407 120.570 -0.038 0.000 2.353 270 I HA 0.237 4.406 4.170 -0.001 0.000 0.293 270 I C -2.117 173.932 176.117 -0.114 0.000 0.992 270 I CA -2.855 58.373 61.300 -0.121 0.000 1.268 270 I CB 1.232 39.067 38.000 -0.275 0.000 1.387 270 I HN 0.092 nan 8.210 nan 0.000 0.478 271 P HA -0.035 nan 4.420 nan 0.000 0.263 271 P C 0.310 177.504 177.300 -0.177 0.000 1.195 271 P CA 0.133 63.157 63.100 -0.127 0.000 0.762 271 P CB 0.841 32.514 31.700 -0.045 0.000 0.799 272 A N 4.022 126.745 122.820 -0.162 0.000 2.225 272 A HA -0.186 4.133 4.320 -0.001 0.000 0.215 272 A C 1.384 178.847 177.584 -0.203 0.000 1.164 272 A CA 1.288 53.277 52.037 -0.080 0.000 0.710 272 A CB -1.112 18.038 19.000 0.249 0.000 0.780 272 A HN 0.709 nan 8.150 nan 0.000 0.473 273 H N -1.623 117.042 119.070 -0.676 0.000 2.551 273 H HA 0.309 4.865 4.556 -0.001 0.000 0.271 273 H C 0.842 175.924 175.328 -0.410 0.000 0.984 273 H CA -0.026 55.684 56.048 -0.564 0.000 1.164 273 H CB -0.626 28.682 29.762 -0.758 0.000 1.437 273 H HN 0.435 nan 8.280 nan 0.000 0.550 274 L N 0.965 121.758 121.223 -0.716 0.000 2.700 274 L HA 0.139 4.478 4.340 -0.001 0.000 0.234 274 L C 0.727 177.354 176.870 -0.406 0.000 1.156 274 L CA -0.098 54.342 54.840 -0.667 0.000 0.946 274 L CB 0.322 41.904 42.059 -0.795 0.000 1.216 274 L HN 0.108 nan 8.230 nan 0.000 0.493 275 L N 0.234 121.244 121.223 -0.355 0.000 2.653 275 L HA 0.336 4.675 4.340 -0.001 0.000 0.231 275 L C 1.555 178.361 176.870 -0.107 0.000 1.153 275 L CA 0.774 55.394 54.840 -0.367 0.000 0.933 275 L CB -0.855 40.811 42.059 -0.654 0.000 1.175 275 L HN 0.454 nan 8.230 nan 0.000 0.473 276 G N 1.013 109.767 108.800 -0.076 0.000 2.184 276 G HA2 -0.295 3.665 3.960 -0.001 0.000 0.264 276 G HA3 -0.295 3.665 3.960 -0.001 0.000 0.264 276 G C 0.347 175.262 174.900 0.024 0.000 0.975 276 G CA 0.496 45.593 45.100 -0.005 0.000 0.642 276 G HN 0.462 nan 8.290 nan 0.000 0.536 277 N N -0.769 117.946 118.700 0.026 0.000 2.264 277 N HA 0.415 5.154 4.740 -0.001 0.000 0.288 277 N C 1.179 176.637 175.510 -0.087 0.000 1.094 277 N CA -0.207 52.856 53.050 0.022 0.000 0.817 277 N CB 1.424 40.004 38.487 0.155 0.000 1.604 277 N HN -0.020 nan 8.380 nan 0.000 0.473 278 M N 2.591 121.965 119.600 -0.376 0.000 2.195 278 M HA 0.003 4.482 4.480 -0.001 0.000 0.260 278 M C 0.505 176.404 176.300 -0.668 0.000 1.066 278 M CA 1.803 56.657 55.300 -0.743 0.000 1.089 278 M CB -0.172 31.473 32.600 -1.592 0.000 1.377 278 M HN 0.634 nan 8.290 nan 0.000 0.411 279 W N -0.844 120.517 121.300 0.102 0.000 3.008 279 W HA 0.574 5.233 4.660 -0.001 0.000 0.355 279 W C 1.105 177.641 176.519 0.027 0.000 1.095 279 W CA 0.257 57.649 57.345 0.078 0.000 1.738 279 W CB -0.925 28.476 29.460 -0.099 0.000 1.091 279 W HN 0.413 nan 8.180 nan 0.000 0.574 280 A N 1.883 124.833 122.820 0.216 0.000 2.832 280 A HA -0.348 3.971 4.320 -0.001 0.000 0.280 280 A C 1.688 179.485 177.584 0.356 0.000 1.464 280 A CA 2.034 54.248 52.037 0.296 0.000 0.804 280 A CB -2.023 17.141 19.000 0.273 0.000 1.020 280 A HN 0.602 nan 8.150 nan 0.000 0.563 281 Q N -0.802 119.028 119.800 0.051 0.000 2.331 281 Q HA 0.124 4.463 4.340 -0.001 0.000 0.203 281 Q C 0.682 176.785 176.000 0.173 0.000 0.944 281 Q CA 1.358 57.049 55.803 -0.188 0.000 0.892 281 Q CB -0.167 28.146 28.738 -0.709 0.000 0.983 281 Q HN 1.252 nan 8.270 nan 0.000 0.482 282 T N -3.225 111.479 114.554 0.251 0.000 2.916 282 T HA 0.397 4.746 4.350 -0.001 0.000 0.298 282 T C -0.936 174.034 174.700 0.450 0.000 1.031 282 T CA -0.903 61.321 62.100 0.206 0.000 0.993 282 T CB 0.938 69.886 68.868 0.132 0.000 1.045 282 T HN 0.282 nan 8.240 nan 0.000 0.454 283 W N 1.319 122.694 121.300 0.125 0.000 2.991 283 W HA 0.262 4.922 4.660 -0.001 0.000 0.391 283 W C 1.902 178.484 176.519 0.105 0.000 1.054 283 W CA -0.663 56.745 57.345 0.105 0.000 1.856 283 W CB -1.064 28.467 29.460 0.118 0.000 1.132 283 W HN 0.924 nan 8.180 nan 0.000 0.601 284 S N 0.197 116.069 115.700 0.287 0.000 2.440 284 S HA -0.200 4.269 4.470 -0.001 0.000 0.238 284 S C 1.420 176.137 174.600 0.196 0.000 1.010 284 S CA 1.184 59.513 58.200 0.214 0.000 0.972 284 S CB -0.374 62.897 63.200 0.118 0.000 0.774 284 S HN 0.170 nan 8.310 nan 0.000 0.501 285 N N 2.098 120.897 118.700 0.165 0.000 2.512 285 N HA 0.066 4.805 4.740 -0.001 0.000 0.183 285 N C 1.317 176.892 175.510 0.108 0.000 1.073 285 N CA 1.220 54.340 53.050 0.117 0.000 0.911 285 N CB -0.283 38.252 38.487 0.080 0.000 0.964 285 N HN 0.838 nan 8.380 nan 0.000 0.447 286 I N -2.905 117.740 120.570 0.124 0.000 3.889 286 I HA 0.160 4.330 4.170 -0.001 0.000 0.332 286 I C 1.525 177.697 176.117 0.092 0.000 1.493 286 I CA -0.555 60.780 61.300 0.058 0.000 1.158 286 I CB -0.368 37.629 38.000 -0.005 0.000 1.117 286 I HN -0.210 nan 8.210 nan 0.000 0.411 287 Y N 3.553 123.885 120.300 0.053 0.000 2.193 287 Y HA -0.340 4.210 4.550 -0.001 0.000 0.285 287 Y C 2.296 178.216 175.900 0.033 0.000 1.166 287 Y CA 2.290 60.429 58.100 0.065 0.000 1.181 287 Y CB -0.203 38.297 38.460 0.067 0.000 0.976 287 Y HN 0.586 nan 8.280 nan 0.000 0.520 288 D N -0.041 120.335 120.400 -0.040 0.000 2.182 288 D HA -0.238 4.401 4.640 -0.001 0.000 0.201 288 D C 1.842 178.023 176.300 -0.199 0.000 0.986 288 D CA 1.709 55.630 54.000 -0.131 0.000 0.847 288 D CB -0.832 39.946 40.800 -0.038 0.000 0.942 288 D HN 0.512 nan 8.370 nan 0.000 0.467 289 L N 0.501 121.612 121.223 -0.186 0.000 2.418 289 L HA 0.015 4.354 4.340 -0.001 0.000 0.218 289 L C 2.000 178.758 176.870 -0.188 0.000 1.125 289 L CA 0.461 55.177 54.840 -0.207 0.000 0.835 289 L CB 0.234 42.151 42.059 -0.235 0.000 0.953 289 L HN 0.081 nan 8.230 nan 0.000 0.454 290 V N -4.406 115.394 119.914 -0.190 0.000 3.252 290 V HA 0.250 4.369 4.120 -0.001 0.000 0.320 290 V C 0.660 176.696 176.094 -0.097 0.000 1.459 290 V CA -0.524 61.704 62.300 -0.120 0.000 1.095 290 V CB 0.322 32.157 31.823 0.020 0.000 0.997 290 V HN -0.033 nan 8.190 nan 0.000 0.469 291 V N 3.592 123.280 119.914 -0.378 0.000 2.583 291 V HA 0.119 4.238 4.120 -0.001 0.000 0.302 291 V C -0.376 175.624 176.094 -0.157 0.000 1.033 291 V CA 0.285 62.308 62.300 -0.462 0.000 1.194 291 V CB 1.387 32.917 31.823 -0.488 0.000 0.879 291 V HN 0.422 nan 8.190 nan 0.000 0.482 292 P HA -0.023 nan 4.420 nan 0.000 0.215 292 P C -0.178 176.767 177.300 -0.591 0.000 1.157 292 P CA 1.412 64.260 63.100 -0.419 0.000 0.863 292 P CB 0.127 31.286 31.700 -0.901 0.000 0.787 293 F N -0.953 118.947 119.950 -0.084 0.000 2.451 293 F HA 0.313 4.839 4.527 -0.001 0.000 0.367 293 F C -1.551 174.219 175.800 -0.050 0.000 1.100 293 F CA -2.152 55.820 58.000 -0.047 0.000 1.171 293 F CB 1.181 40.126 39.000 -0.093 0.000 1.405 293 F HN -0.041 nan 8.300 nan 0.000 0.482 294 P HA -0.119 nan 4.420 nan 0.000 0.228 294 P C 1.255 178.591 177.300 0.060 0.000 1.151 294 P CA 1.010 64.131 63.100 0.036 0.000 0.770 294 P CB 0.400 32.101 31.700 0.003 0.000 0.786 295 S N 0.114 115.869 115.700 0.091 0.000 2.402 295 S HA 0.030 4.499 4.470 -0.001 0.000 0.229 295 S C 1.434 176.060 174.600 0.043 0.000 1.021 295 S CA 0.749 58.992 58.200 0.072 0.000 0.974 295 S CB -0.481 62.773 63.200 0.091 0.000 0.800 295 S HN 0.246 nan 8.310 nan 0.000 0.484 296 A N 3.709 126.533 122.820 0.007 0.000 2.650 296 A HA 0.431 4.750 4.320 -0.001 0.000 0.320 296 A C -2.205 175.388 177.584 0.014 0.000 1.466 296 A CA -1.614 50.370 52.037 -0.089 0.000 1.099 296 A CB -0.177 18.526 19.000 -0.496 0.000 1.136 296 A HN 0.203 nan 8.150 nan 0.000 0.532 297 P HA 0.359 nan 4.420 nan 0.000 0.269 297 P C -0.126 177.259 177.300 0.143 0.000 1.215 297 P CA 0.180 63.343 63.100 0.104 0.000 0.780 297 P CB 1.147 32.899 31.700 0.085 0.000 0.898 298 S N 2.808 118.596 115.700 0.147 0.000 2.502 298 S HA 0.522 4.991 4.470 -0.001 0.000 0.304 298 S C 0.367 175.022 174.600 0.092 0.000 1.097 298 S CA -0.995 57.288 58.200 0.139 0.000 1.045 298 S CB 0.611 63.908 63.200 0.162 0.000 1.019 298 S HN 0.375 nan 8.310 nan 0.000 0.481 299 M N 2.041 121.677 119.600 0.061 0.000 2.252 299 M HA 0.017 4.496 4.480 -0.001 0.000 0.329 299 M C 0.037 176.345 176.300 0.013 0.000 1.101 299 M CA 0.034 55.351 55.300 0.028 0.000 1.117 299 M CB 0.359 32.961 32.600 0.003 0.000 1.563 299 M HN 0.707 nan 8.290 nan 0.000 0.445 300 D N 2.277 122.680 120.400 0.004 0.000 2.455 300 D HA 0.045 4.684 4.640 -0.001 0.000 0.234 300 D C 0.715 176.990 176.300 -0.041 0.000 1.224 300 D CA 0.110 54.108 54.000 -0.005 0.000 0.999 300 D CB 0.544 41.345 40.800 0.001 0.000 1.072 300 D HN 0.564 nan 8.370 nan 0.000 0.514 301 T N 1.835 116.354 114.554 -0.058 0.000 2.653 301 T HA -0.189 4.160 4.350 -0.001 0.000 0.268 301 T C 1.800 176.418 174.700 -0.138 0.000 1.035 301 T CA 1.796 63.828 62.100 -0.114 0.000 1.154 301 T CB -0.129 68.669 68.868 -0.116 0.000 0.862 301 T HN 0.404 nan 8.240 nan 0.000 0.441 302 T N 1.300 115.801 114.554 -0.090 0.000 2.708 302 T HA -0.071 4.279 4.350 -0.001 0.000 0.266 302 T C 2.541 177.203 174.700 -0.063 0.000 1.037 302 T CA 1.773 63.827 62.100 -0.076 0.000 1.146 302 T CB -0.652 68.195 68.868 -0.034 0.000 0.865 302 T HN 0.708 nan 8.240 nan 0.000 0.435 303 E N 1.275 121.449 120.200 -0.043 0.000 2.085 303 E HA 0.002 4.351 4.350 -0.001 0.000 0.194 303 E C 2.354 178.930 176.600 -0.041 0.000 0.994 303 E CA 1.597 57.982 56.400 -0.026 0.000 0.801 303 E CB -1.146 28.545 29.700 -0.014 0.000 0.743 303 E HN 0.629 nan 8.360 nan 0.000 0.453 304 A N 0.341 123.115 122.820 -0.076 0.000 1.858 304 A HA -0.080 4.239 4.320 -0.001 0.000 0.216 304 A C 2.578 180.082 177.584 -0.134 0.000 1.190 304 A CA 2.104 54.083 52.037 -0.098 0.000 0.617 304 A CB -0.448 18.470 19.000 -0.138 0.000 0.827 304 A HN 0.527 nan 8.150 nan 0.000 0.443 305 M N -0.633 118.816 119.600 -0.252 0.000 2.065 305 M HA -0.171 4.309 4.480 -0.001 0.000 0.259 305 M C 2.211 178.515 176.300 0.007 0.000 1.069 305 M CA 1.658 56.747 55.300 -0.353 0.000 1.110 305 M CB -0.633 31.733 32.600 -0.391 0.000 1.328 305 M HN 0.379 nan 8.290 nan 0.000 0.405 306 L N 0.276 121.507 121.223 0.014 0.000 2.046 306 L HA -0.215 4.124 4.340 -0.001 0.000 0.208 306 L C 3.180 180.094 176.870 0.074 0.000 1.077 306 L CA 1.738 56.618 54.840 0.066 0.000 0.747 306 L CB -1.234 40.848 42.059 0.038 0.000 0.896 306 L HN 0.337 nan 8.230 nan 0.000 0.432 307 K N 0.766 121.193 120.400 0.044 0.000 2.044 307 K HA -0.207 4.112 4.320 -0.001 0.000 0.210 307 K C 1.633 178.279 176.600 0.077 0.000 1.049 307 K CA 1.916 58.230 56.287 0.045 0.000 0.927 307 K CB -1.098 31.415 32.500 0.020 0.000 0.713 307 K HN 0.701 nan 8.250 nan 0.000 0.443 308 Q N -0.822 119.055 119.800 0.129 0.000 2.242 308 Q HA 0.365 4.705 4.340 -0.001 0.000 0.246 308 Q C 0.722 176.860 176.000 0.230 0.000 0.883 308 Q CA -0.082 55.828 55.803 0.179 0.000 0.984 308 Q CB -0.293 28.580 28.738 0.225 0.000 1.096 308 Q HN 0.579 nan 8.270 nan 0.000 0.452 309 G N 1.235 110.145 108.800 0.183 0.000 2.356 309 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.296 309 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.296 309 G C -0.604 174.416 174.900 0.200 0.000 1.022 309 G CA -0.167 45.026 45.100 0.155 0.000 0.961 309 G HN 0.487 nan 8.290 nan 0.000 0.510 310 W N 0.300 121.615 121.300 0.025 0.000 2.181 310 W HA 0.519 5.179 4.660 -0.001 0.000 0.335 310 W C 1.244 177.794 176.519 0.052 0.000 1.310 310 W CA 0.691 58.058 57.345 0.037 0.000 1.226 310 W CB 0.809 30.291 29.460 0.037 0.000 1.155 310 W HN 0.537 nan 8.180 nan 0.000 0.565 311 T N 0.109 114.786 114.554 0.206 0.000 2.907 311 T HA 0.433 4.782 4.350 -0.001 0.000 0.290 311 T C -2.229 172.609 174.700 0.231 0.000 1.066 311 T CA -2.095 60.112 62.100 0.178 0.000 1.012 311 T CB 2.137 71.065 68.868 0.101 0.000 1.184 311 T HN 0.003 nan 8.240 nan 0.000 0.522 312 P HA -0.027 nan 4.420 nan 0.000 0.215 312 P C 1.656 179.245 177.300 0.481 0.000 1.153 312 P CA 0.912 64.228 63.100 0.360 0.000 0.853 312 P CB 0.090 31.982 31.700 0.321 0.000 0.788 313 R N -0.599 120.103 120.500 0.336 0.000 2.081 313 R HA -0.134 4.205 4.340 -0.001 0.000 0.235 313 R C 2.418 178.874 176.300 0.261 0.000 1.131 313 R CA 1.158 57.462 56.100 0.340 0.000 0.960 313 R CB -0.256 30.136 30.300 0.153 0.000 0.856 313 R HN -0.082 nan 8.270 nan 0.000 0.436 314 R N 0.540 121.103 120.500 0.105 0.000 2.081 314 R HA -0.092 4.247 4.340 -0.001 0.000 0.235 314 R C 2.150 178.464 176.300 0.022 0.000 1.131 314 R CA 1.735 57.787 56.100 -0.081 0.000 0.960 314 R CB -0.487 29.624 30.300 -0.315 0.000 0.856 314 R HN 0.321 nan 8.270 nan 0.000 0.436 315 M N -0.918 118.810 119.600 0.214 0.000 2.080 315 M HA -0.173 4.306 4.480 -0.001 0.000 0.260 315 M C 2.025 178.412 176.300 0.144 0.000 1.068 315 M CA 1.820 57.277 55.300 0.262 0.000 1.109 315 M CB -0.435 32.286 32.600 0.201 0.000 1.342 315 M HN -0.009 nan 8.290 nan 0.000 0.405 316 F N 0.254 120.387 119.950 0.305 0.000 2.259 316 F HA -0.118 4.408 4.527 -0.001 0.000 0.298 316 F C 2.406 178.470 175.800 0.440 0.000 1.088 316 F CA 0.960 59.173 58.000 0.355 0.000 1.358 316 F CB -0.375 38.922 39.000 0.494 0.000 1.040 316 F HN -0.043 nan 8.300 nan 0.000 0.505 317 K N 0.370 121.089 120.400 0.531 0.000 2.057 317 K HA -0.134 4.185 4.320 -0.001 0.000 0.207 317 K C 1.952 178.686 176.600 0.223 0.000 1.049 317 K CA 1.115 57.582 56.287 0.300 0.000 0.931 317 K CB -0.415 32.069 32.500 -0.027 0.000 0.714 317 K HN 0.229 nan 8.250 nan 0.000 0.440 318 E N 0.611 120.918 120.200 0.178 0.000 2.077 318 E HA -0.112 4.238 4.350 -0.001 0.000 0.193 318 E C 1.999 178.766 176.600 0.279 0.000 0.989 318 E CA 1.051 57.587 56.400 0.226 0.000 0.800 318 E CB -0.221 29.663 29.700 0.306 0.000 0.746 318 E HN 0.244 nan 8.360 nan 0.000 0.452 319 A N 1.499 124.383 122.820 0.107 0.000 1.877 319 A HA -0.239 4.080 4.320 -0.001 0.000 0.216 319 A C 2.055 179.803 177.584 0.274 0.000 1.186 319 A CA 2.043 53.991 52.037 -0.148 0.000 0.620 319 A CB -0.715 17.994 19.000 -0.485 0.000 0.822 319 A HN 0.230 nan 8.150 nan 0.000 0.443 320 D N -0.438 120.136 120.400 0.290 0.000 2.149 320 D HA -0.196 4.443 4.640 -0.001 0.000 0.198 320 D C 1.591 178.076 176.300 0.309 0.000 0.990 320 D CA 1.645 55.823 54.000 0.297 0.000 0.839 320 D CB -0.229 40.776 40.800 0.341 0.000 0.948 320 D HN 0.514 nan 8.370 nan 0.000 0.460 321 D N -1.559 119.014 120.400 0.288 0.000 2.144 321 D HA -0.159 4.480 4.640 -0.001 0.000 0.200 321 D C 1.845 178.313 176.300 0.281 0.000 0.978 321 D CA 0.700 54.849 54.000 0.249 0.000 0.833 321 D CB -0.346 40.593 40.800 0.231 0.000 0.961 321 D HN 0.303 nan 8.370 nan 0.000 0.470 322 F N -0.606 119.489 119.950 0.241 0.000 2.102 322 F HA -0.118 4.408 4.527 -0.001 0.000 0.298 322 F C 1.736 177.507 175.800 -0.048 0.000 1.105 322 F CA 1.147 59.244 58.000 0.162 0.000 1.239 322 F CB -0.162 38.908 39.000 0.117 0.000 0.991 322 F HN -0.042 nan 8.300 nan 0.000 0.474 323 F N 0.431 120.555 119.950 0.289 0.000 2.095 323 F HA -0.271 4.255 4.527 -0.001 0.000 0.298 323 F C 2.821 178.635 175.800 0.025 0.000 1.104 323 F CA 1.997 60.068 58.000 0.119 0.000 1.232 323 F CB -1.249 37.757 39.000 0.011 0.000 0.987 323 F HN 0.014 nan 8.300 nan 0.000 0.475 324 T N -2.717 111.953 114.554 0.194 0.000 2.867 324 T HA -0.180 4.169 4.350 -0.001 0.000 0.268 324 T C 2.094 176.770 174.700 -0.040 0.000 1.057 324 T CA 1.124 63.264 62.100 0.067 0.000 1.136 324 T CB -0.954 67.952 68.868 0.064 0.000 0.874 324 T HN 0.337 nan 8.240 nan 0.000 0.466 325 S N 1.839 117.456 115.700 -0.138 0.000 2.442 325 S HA 0.060 4.529 4.470 -0.001 0.000 0.236 325 S C 1.866 176.271 174.600 -0.325 0.000 1.007 325 S CA 0.594 58.569 58.200 -0.375 0.000 0.965 325 S CB -0.880 61.752 63.200 -0.948 0.000 0.773 325 S HN 0.587 nan 8.310 nan 0.000 0.504 326 L N 0.697 121.805 121.223 -0.191 0.000 2.591 326 L HA 0.332 4.671 4.340 -0.001 0.000 0.228 326 L C 1.935 178.764 176.870 -0.069 0.000 1.133 326 L CA 0.378 55.146 54.840 -0.120 0.000 0.880 326 L CB -0.586 41.447 42.059 -0.044 0.000 1.033 326 L HN 0.616 nan 8.230 nan 0.000 0.450 327 G N 0.107 108.872 108.800 -0.057 0.000 2.175 327 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.244 327 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.244 327 G C 0.323 175.217 174.900 -0.011 0.000 0.982 327 G CA -0.155 44.923 45.100 -0.036 0.000 0.641 327 G HN 0.195 nan 8.290 nan 0.000 0.527 328 L N 0.243 121.478 121.223 0.020 0.000 2.479 328 L HA 0.525 4.864 4.340 -0.001 0.000 0.248 328 L C 1.446 178.326 176.870 0.017 0.000 1.205 328 L CA -0.847 54.015 54.840 0.037 0.000 0.817 328 L CB 0.275 42.419 42.059 0.141 0.000 1.162 328 L HN 0.057 nan 8.230 nan 0.000 0.486 329 L N 2.135 123.336 121.223 -0.037 0.000 2.397 329 L HA 0.282 4.621 4.340 -0.001 0.000 0.271 329 L C -2.045 174.766 176.870 -0.097 0.000 1.148 329 L CA -1.572 53.223 54.840 -0.074 0.000 0.825 329 L CB 0.472 42.456 42.059 -0.126 0.000 1.117 329 L HN 0.361 nan 8.230 nan 0.000 0.456 330 P HA 0.181 nan 4.420 nan 0.000 0.284 330 P C -0.764 176.455 177.300 -0.135 0.000 1.258 330 P CA -0.486 62.585 63.100 -0.049 0.000 0.824 330 P CB 1.647 33.366 31.700 0.032 0.000 1.038 331 V N -0.917 118.861 119.914 -0.227 0.000 2.811 331 V HA 0.298 4.417 4.120 -0.001 0.000 0.302 331 V C -2.369 173.655 176.094 -0.115 0.000 1.063 331 V CA -1.829 60.243 62.300 -0.379 0.000 1.088 331 V CB -0.841 30.375 31.823 -1.012 0.000 0.982 331 V HN 0.420 nan 8.190 nan 0.000 0.485 332 P HA 0.265 nan 4.420 nan 0.000 0.269 332 P C -2.178 175.220 177.300 0.163 0.000 1.215 332 P CA -1.273 61.891 63.100 0.105 0.000 0.780 332 P CB -0.048 31.750 31.700 0.163 0.000 0.898 333 P HA -0.215 nan 4.420 nan 0.000 0.216 333 P C 1.362 178.799 177.300 0.229 0.000 1.150 333 P CA 1.356 64.631 63.100 0.291 0.000 0.843 333 P CB -0.054 31.750 31.700 0.173 0.000 0.787 334 E N -1.358 118.909 120.200 0.111 0.000 2.160 334 E HA -0.234 4.116 4.350 -0.001 0.000 0.195 334 E C 1.747 178.332 176.600 -0.024 0.000 0.991 334 E CA 0.715 57.123 56.400 0.014 0.000 0.810 334 E CB -0.584 29.086 29.700 -0.050 0.000 0.742 334 E HN 0.178 nan 8.360 nan 0.000 0.466 335 F N -0.152 119.700 119.950 -0.164 0.000 2.069 335 F HA -0.192 4.334 4.527 -0.001 0.000 0.298 335 F C 1.496 177.105 175.800 -0.317 0.000 1.113 335 F CA 1.915 59.729 58.000 -0.310 0.000 1.214 335 F CB -0.511 38.196 39.000 -0.489 0.000 0.978 335 F HN 0.079 nan 8.300 nan 0.000 0.474 336 W N 0.570 121.957 121.300 0.146 0.000 2.392 336 W HA -0.189 4.470 4.660 -0.001 0.000 0.279 336 W C 2.496 178.943 176.519 -0.120 0.000 1.225 336 W CA 0.985 58.336 57.345 0.010 0.000 1.233 336 W CB -0.632 28.900 29.460 0.121 0.000 1.122 336 W HN 0.136 nan 8.180 nan 0.000 0.561 337 N N 0.791 119.534 118.700 0.071 0.000 2.336 337 N HA -0.080 4.660 4.740 -0.001 0.000 0.177 337 N C 1.289 176.727 175.510 -0.119 0.000 1.018 337 N CA 1.057 54.101 53.050 -0.011 0.000 0.878 337 N CB 0.023 38.505 38.487 -0.008 0.000 0.997 337 N HN 0.207 nan 8.380 nan 0.000 0.433 338 K N 0.005 120.261 120.400 -0.240 0.000 2.352 338 K HA 0.197 4.516 4.320 -0.001 0.000 0.194 338 K C 0.483 176.884 176.600 -0.332 0.000 1.038 338 K CA -0.143 55.947 56.287 -0.328 0.000 1.023 338 K CB 0.482 32.675 32.500 -0.511 0.000 0.840 338 K HN -0.049 nan 8.250 nan 0.000 0.519 339 S N 1.346 116.782 115.700 -0.440 0.000 2.579 339 S HA 0.098 4.567 4.470 -0.001 0.000 0.275 339 S C 0.019 174.551 174.600 -0.112 0.000 1.345 339 S CA -0.127 57.849 58.200 -0.375 0.000 1.031 339 S CB 0.639 63.281 63.200 -0.930 0.000 0.892 339 S HN 0.201 nan 8.310 nan 0.000 0.529 340 M N 4.088 123.701 119.600 0.022 0.000 2.268 340 M HA 0.301 4.780 4.480 -0.001 0.000 0.340 340 M C -0.603 175.646 176.300 -0.084 0.000 1.099 340 M CA -0.316 54.965 55.300 -0.031 0.000 1.053 340 M CB -0.331 32.214 32.600 -0.091 0.000 1.284 340 M HN 0.616 nan 8.290 nan 0.000 0.410 341 L N 2.098 123.254 121.223 -0.112 0.000 2.591 341 L HA 0.215 4.554 4.340 -0.001 0.000 0.228 341 L C 0.054 176.965 176.870 0.068 0.000 1.133 341 L CA 0.516 55.299 54.840 -0.094 0.000 0.880 341 L CB -0.117 41.844 42.059 -0.162 0.000 1.033 341 L HN 0.625 nan 8.230 nan 0.000 0.450 342 E N -0.161 120.063 120.200 0.039 0.000 2.367 342 E HA 0.261 4.611 4.350 -0.001 0.000 0.273 342 E C -0.971 175.641 176.600 0.021 0.000 0.903 342 E CA -0.911 55.523 56.400 0.057 0.000 0.764 342 E CB 2.290 32.027 29.700 0.061 0.000 1.252 342 E HN -0.089 nan 8.360 nan 0.000 0.446 343 K N 2.588 123.003 120.400 0.025 0.000 2.412 343 K HA 0.162 4.481 4.320 -0.001 0.000 0.284 343 K C -2.316 174.282 176.600 -0.003 0.000 1.046 343 K CA -1.268 55.021 56.287 0.003 0.000 0.999 343 K CB 0.180 32.687 32.500 0.013 0.000 0.941 343 K HN 0.115 nan 8.250 nan 0.000 0.474 344 P HA -0.029 nan 4.420 nan 0.000 0.266 344 P C -0.073 177.221 177.300 -0.010 0.000 1.195 344 P CA -0.038 63.049 63.100 -0.021 0.000 0.768 344 P CB 0.854 32.529 31.700 -0.042 0.000 0.838 345 T N -3.240 111.312 114.554 -0.003 0.000 3.069 345 T HA 0.011 4.360 4.350 -0.001 0.000 0.252 345 T C 1.185 175.885 174.700 -0.001 0.000 1.053 345 T CA -0.081 62.020 62.100 0.002 0.000 0.964 345 T CB -0.378 68.495 68.868 0.008 0.000 1.005 345 T HN 0.217 nan 8.240 nan 0.000 0.532 346 D N 2.209 122.605 120.400 -0.008 0.000 2.393 346 D HA -0.050 4.589 4.640 -0.001 0.000 0.220 346 D C 1.785 178.080 176.300 -0.009 0.000 0.974 346 D CA 1.388 55.382 54.000 -0.010 0.000 0.931 346 D CB -0.715 40.074 40.800 -0.018 0.000 0.889 346 D HN 0.738 nan 8.370 nan 0.000 0.512 347 G N 0.971 109.766 108.800 -0.007 0.000 2.153 347 G HA2 -0.327 3.632 3.960 -0.001 0.000 0.252 347 G HA3 -0.327 3.632 3.960 -0.001 0.000 0.252 347 G C 0.435 175.328 174.900 -0.011 0.000 0.994 347 G CA 0.300 45.397 45.100 -0.004 0.000 0.698 347 G HN 0.402 nan 8.290 nan 0.000 0.521 348 R N 0.074 120.562 120.500 -0.021 0.000 2.486 348 R HA 0.541 4.880 4.340 -0.001 0.000 0.286 348 R C -0.272 176.002 176.300 -0.044 0.000 0.999 348 R CA -0.599 55.479 56.100 -0.036 0.000 0.993 348 R CB 0.747 31.017 30.300 -0.050 0.000 1.084 348 R HN 0.252 nan 8.270 nan 0.000 0.487 349 E N 2.127 122.294 120.200 -0.056 0.000 2.175 349 E HA 0.351 4.700 4.350 -0.001 0.000 0.278 349 E C -1.182 175.351 176.600 -0.112 0.000 0.969 349 E CA -0.672 55.692 56.400 -0.060 0.000 0.796 349 E CB 1.455 31.130 29.700 -0.043 0.000 1.104 349 E HN 0.373 nan 8.360 nan 0.000 0.395 350 V N 0.722 120.573 119.914 -0.105 0.000 3.182 350 V HA 0.602 4.721 4.120 -0.001 0.000 0.308 350 V C -0.943 175.094 176.094 -0.095 0.000 1.240 350 V CA -1.051 61.154 62.300 -0.158 0.000 1.063 350 V CB 1.899 33.621 31.823 -0.168 0.000 1.076 350 V HN 0.357 nan 8.190 nan 0.000 0.446 351 V N 1.305 121.156 119.914 -0.105 0.000 2.353 351 V HA 0.155 4.275 4.120 -0.001 0.000 0.264 351 V C 1.148 177.268 176.094 0.044 0.000 1.049 351 V CA 0.171 62.495 62.300 0.041 0.000 0.896 351 V CB 0.067 31.951 31.823 0.102 0.000 1.025 351 V HN 1.123 nan 8.190 nan 0.000 0.475 352 c N 3.176 121.820 118.600 0.072 0.000 2.446 352 c HA -0.032 4.537 4.570 -0.001 0.000 0.279 352 c C 1.582 175.687 174.090 0.024 0.000 1.366 352 c CA 0.149 56.502 56.329 0.041 0.000 1.763 352 c CB -1.106 41.431 42.510 0.044 0.000 1.929 352 c HN 0.938 nan 8.230 nan 0.000 0.509 353 H N 0.898 119.913 119.070 -0.091 0.000 3.192 353 H HA 0.307 4.862 4.556 -0.001 0.000 0.295 353 H C 0.608 175.829 175.328 -0.178 0.000 0.943 353 H CA 0.499 56.361 56.048 -0.309 0.000 1.416 353 H CB 0.334 29.450 29.762 -1.076 0.000 1.434 353 H HN 0.472 nan 8.280 nan 0.000 0.565 354 A N 4.578 127.135 122.820 -0.440 0.000 2.565 354 A HA 0.389 4.708 4.320 -0.001 0.000 0.237 354 A C -0.040 177.576 177.584 0.053 0.000 1.053 354 A CA 0.641 52.615 52.037 -0.105 0.000 0.755 354 A CB -0.175 18.792 19.000 -0.054 0.000 0.980 354 A HN 0.911 nan 8.150 nan 0.000 0.506 355 S N 0.321 116.177 115.700 0.261 0.000 2.547 355 S HA 0.770 5.239 4.470 -0.001 0.000 0.270 355 S C -0.676 174.229 174.600 0.508 0.000 1.150 355 S CA -0.215 58.186 58.200 0.334 0.000 0.850 355 S CB 1.317 64.692 63.200 0.293 0.000 1.118 355 S HN 2.140 nan 8.310 nan 0.000 0.461 356 A N 0.903 123.962 122.820 0.399 0.000 2.337 356 A HA 0.798 5.117 4.320 -0.001 0.000 0.329 356 A C -1.669 176.270 177.584 0.591 0.000 1.146 356 A CA -0.706 51.681 52.037 0.583 0.000 0.800 356 A CB 0.450 19.699 19.000 0.415 0.000 1.220 356 A HN 0.728 nan 8.150 nan 0.000 0.472 357 W N 0.887 122.487 121.300 0.500 0.000 2.656 357 W HA 0.511 5.170 4.660 -0.001 0.000 0.327 357 W C -0.661 175.870 176.519 0.020 0.000 1.041 357 W CA -0.416 57.057 57.345 0.213 0.000 1.229 357 W CB 1.678 31.262 29.460 0.206 0.000 1.397 357 W HN 0.635 nan 8.180 nan 0.000 0.479 358 D N 1.961 122.063 120.400 -0.496 0.000 2.381 358 D HA 0.251 4.890 4.640 -0.001 0.000 0.235 358 D C -0.383 175.483 176.300 -0.723 0.000 1.068 358 D CA -0.568 52.958 54.000 -0.790 0.000 0.832 358 D CB 0.838 40.671 40.800 -1.611 0.000 1.101 358 D HN 0.181 nan 8.370 nan 0.000 0.515 359 F N 2.884 122.573 119.950 -0.436 0.000 2.664 359 F HA 0.128 4.654 4.527 -0.001 0.000 0.301 359 F C 0.425 176.212 175.800 -0.021 0.000 1.126 359 F CA -0.397 57.497 58.000 -0.177 0.000 1.373 359 F CB -0.664 38.230 39.000 -0.177 0.000 1.042 359 F HN 0.381 nan 8.300 nan 0.000 0.535 360 Y N -0.085 120.232 120.300 0.029 0.000 3.396 360 Y HA -0.345 4.204 4.550 -0.001 0.000 0.214 360 Y C 1.019 176.910 175.900 -0.015 0.000 1.203 360 Y CA 0.403 58.525 58.100 0.037 0.000 1.401 360 Y CB -2.464 36.056 38.460 0.100 0.000 1.409 360 Y HN 0.379 nan 8.280 nan 0.000 0.594 361 N N -1.065 117.644 118.700 0.014 0.000 2.160 361 N HA 0.318 5.057 4.740 -0.001 0.000 0.226 361 N C 1.292 176.770 175.510 -0.055 0.000 1.256 361 N CA 0.406 53.444 53.050 -0.020 0.000 0.890 361 N CB 0.595 39.055 38.487 -0.044 0.000 1.116 361 N HN 0.558 nan 8.380 nan 0.000 0.517 362 G N 0.415 109.172 108.800 -0.071 0.000 2.166 362 G HA2 -0.370 3.590 3.960 -0.001 0.000 0.260 362 G HA3 -0.370 3.590 3.960 -0.001 0.000 0.260 362 G C 0.870 175.760 174.900 -0.015 0.000 0.986 362 G CA 1.162 46.297 45.100 0.058 0.000 0.683 362 G HN 0.485 nan 8.290 nan 0.000 0.527 363 K N -0.757 119.436 120.400 -0.346 0.000 2.556 363 K HA 0.201 4.520 4.320 -0.001 0.000 0.201 363 K C 0.160 176.463 176.600 -0.496 0.000 1.423 363 K CA 0.405 56.545 56.287 -0.245 0.000 1.010 363 K CB 0.435 32.861 32.500 -0.124 0.000 1.409 363 K HN 0.156 nan 8.250 nan 0.000 0.538 364 D N 0.660 120.648 120.400 -0.687 0.000 2.396 364 D HA 0.220 4.859 4.640 -0.001 0.000 0.225 364 D C -1.250 174.653 176.300 -0.663 0.000 1.121 364 D CA -0.241 53.391 54.000 -0.612 0.000 0.853 364 D CB 0.059 40.501 40.800 -0.597 0.000 1.043 364 D HN -0.101 nan 8.370 nan 0.000 0.500 365 F N 2.804 122.770 119.950 0.027 0.000 2.540 365 F HA 0.574 5.100 4.527 -0.001 0.000 0.317 365 F C 0.676 176.595 175.800 0.199 0.000 1.104 365 F CA -0.976 57.159 58.000 0.225 0.000 0.913 365 F CB 1.761 40.921 39.000 0.266 0.000 1.170 365 F HN -0.027 nan 8.300 nan 0.000 0.450 366 R N 2.387 123.159 120.500 0.454 0.000 2.799 366 R HA 0.768 5.107 4.340 -0.001 0.000 0.270 366 R C -1.704 174.829 176.300 0.387 0.000 1.010 366 R CA -1.070 55.105 56.100 0.126 0.000 0.916 366 R CB 2.884 32.933 30.300 -0.418 0.000 1.228 366 R HN 0.582 nan 8.270 nan 0.000 0.469 367 I N 1.092 121.748 120.570 0.142 0.000 2.509 367 I HA 0.353 4.523 4.170 -0.001 0.000 0.293 367 I C -0.641 175.598 176.117 0.205 0.000 1.020 367 I CA -0.749 60.727 61.300 0.295 0.000 1.088 367 I CB 2.210 40.337 38.000 0.212 0.000 1.267 367 I HN 0.376 nan 8.210 nan 0.000 0.430 368 K N 6.881 127.452 120.400 0.285 0.000 2.507 368 K HA 0.474 4.794 4.320 -0.001 0.000 0.253 368 K C -1.328 175.340 176.600 0.112 0.000 0.969 368 K CA -0.432 55.902 56.287 0.078 0.000 0.908 368 K CB 1.377 33.803 32.500 -0.122 0.000 1.127 368 K HN 0.680 nan 8.250 nan 0.000 0.437 369 Q N 3.911 123.754 119.800 0.071 0.000 2.295 369 Q HA 0.249 4.589 4.340 -0.001 0.000 0.268 369 Q C -1.515 174.539 176.000 0.089 0.000 1.010 369 Q CA -0.750 55.119 55.803 0.110 0.000 0.856 369 Q CB 1.716 30.602 28.738 0.248 0.000 1.349 369 Q HN 0.773 nan 8.270 nan 0.000 0.412 370 c N 3.707 122.343 118.600 0.059 0.000 2.615 370 c HA 0.252 4.821 4.570 -0.001 0.000 0.503 370 c C 0.391 174.535 174.090 0.090 0.000 1.039 370 c CA -0.287 56.076 56.329 0.057 0.000 1.226 370 c CB -1.768 40.759 42.510 0.030 0.000 1.447 370 c HN 0.594 nan 8.230 nan 0.000 0.572 371 T N 2.599 117.243 114.554 0.150 0.000 2.908 371 T HA 0.110 4.459 4.350 -0.001 0.000 0.301 371 T C 0.619 175.401 174.700 0.137 0.000 1.019 371 T CA 0.784 62.996 62.100 0.186 0.000 1.152 371 T CB 0.395 69.462 68.868 0.332 0.000 0.966 371 T HN 0.575 nan 8.240 nan 0.000 0.540 372 T N 2.629 117.248 114.554 0.108 0.000 2.888 372 T HA 0.368 4.718 4.350 -0.001 0.000 0.284 372 T C 0.222 174.978 174.700 0.094 0.000 1.017 372 T CA -0.639 61.512 62.100 0.086 0.000 1.022 372 T CB 1.255 70.158 68.868 0.058 0.000 1.013 372 T HN 0.345 nan 8.240 nan 0.000 0.465 373 V N 5.436 125.406 119.914 0.094 0.000 2.326 373 V HA 0.329 4.448 4.120 -0.001 0.000 0.249 373 V C -0.046 176.075 176.094 0.046 0.000 1.114 373 V CA -0.433 61.928 62.300 0.101 0.000 1.028 373 V CB -1.390 30.510 31.823 0.128 0.000 1.170 373 V HN 0.990 nan 8.190 nan 0.000 0.494 374 N N 2.930 121.643 118.700 0.022 0.000 3.116 374 N HA 0.274 5.013 4.740 -0.001 0.000 0.244 374 N C -0.056 175.429 175.510 -0.042 0.000 1.485 374 N CA -0.973 52.063 53.050 -0.023 0.000 0.884 374 N CB 1.152 39.636 38.487 -0.005 0.000 1.415 374 N HN 0.060 nan 8.380 nan 0.000 0.524 375 L N 0.139 121.321 121.223 -0.068 0.000 2.083 375 L HA 0.102 4.441 4.340 -0.001 0.000 0.209 375 L C 2.040 178.883 176.870 -0.044 0.000 1.083 375 L CA 1.962 56.757 54.840 -0.075 0.000 0.752 375 L CB -0.858 41.151 42.059 -0.083 0.000 0.899 375 L HN 0.905 nan 8.230 nan 0.000 0.433 376 E N -0.695 119.490 120.200 -0.025 0.000 2.058 376 E HA -0.285 4.064 4.350 -0.001 0.000 0.194 376 E C 1.560 178.154 176.600 -0.009 0.000 0.997 376 E CA 1.795 58.187 56.400 -0.014 0.000 0.801 376 E CB -0.064 29.639 29.700 0.006 0.000 0.746 376 E HN 0.534 nan 8.360 nan 0.000 0.450 377 D N -0.433 119.970 120.400 0.005 0.000 2.269 377 D HA -0.083 4.556 4.640 -0.001 0.000 0.208 377 D C 1.626 177.929 176.300 0.006 0.000 0.963 377 D CA 0.187 54.197 54.000 0.017 0.000 0.864 377 D CB 0.075 40.900 40.800 0.043 0.000 0.936 377 D HN 0.149 nan 8.370 nan 0.000 0.505 378 L N -0.104 121.127 121.223 0.012 0.000 2.056 378 L HA -0.087 4.253 4.340 -0.001 0.000 0.207 378 L C 1.955 178.885 176.870 0.100 0.000 1.078 378 L CA 1.298 56.171 54.840 0.055 0.000 0.749 378 L CB -0.352 41.733 42.059 0.044 0.000 0.901 378 L HN -0.084 nan 8.230 nan 0.000 0.433 379 V N -1.232 118.682 119.914 -0.001 0.000 2.358 379 V HA -0.248 3.872 4.120 -0.001 0.000 0.246 379 V C 2.488 178.611 176.094 0.048 0.000 1.047 379 V CA 1.585 63.861 62.300 -0.040 0.000 1.035 379 V CB -0.476 31.289 31.823 -0.095 0.000 0.658 379 V HN 0.325 nan 8.190 nan 0.000 0.452 380 V N 0.414 120.346 119.914 0.031 0.000 2.407 380 V HA -0.247 3.872 4.120 -0.001 0.000 0.248 380 V C 2.695 178.867 176.094 0.130 0.000 1.055 380 V CA 1.884 64.222 62.300 0.062 0.000 1.049 380 V CB -1.133 30.699 31.823 0.015 0.000 0.662 380 V HN 0.559 nan 8.190 nan 0.000 0.455 381 A N -0.639 122.187 122.820 0.009 0.000 1.902 381 A HA -0.260 4.059 4.320 -0.001 0.000 0.217 381 A C 2.012 179.581 177.584 -0.024 0.000 1.181 381 A CA 2.162 54.064 52.037 -0.225 0.000 0.623 381 A CB -0.753 17.771 19.000 -0.794 0.000 0.818 381 A HN 0.657 nan 8.150 nan 0.000 0.443 382 H N -1.953 117.110 119.070 -0.013 0.000 2.357 382 H HA -0.100 4.455 4.556 -0.001 0.000 0.301 382 H C 1.965 177.352 175.328 0.099 0.000 1.082 382 H CA 1.771 57.854 56.048 0.060 0.000 1.342 382 H CB -0.419 29.301 29.762 -0.070 0.000 1.389 382 H HN 0.822 nan 8.280 nan 0.000 0.511 383 H N 0.820 119.955 119.070 0.108 0.000 2.289 383 H HA -0.126 4.429 4.556 -0.001 0.000 0.296 383 H C 1.876 177.215 175.328 0.017 0.000 1.091 383 H CA 1.975 58.040 56.048 0.029 0.000 1.274 383 H CB 0.248 30.033 29.762 0.039 0.000 1.364 383 H HN 0.238 nan 8.280 nan 0.000 0.490 384 E N -0.001 120.341 120.200 0.238 0.000 2.106 384 E HA -0.133 4.216 4.350 -0.001 0.000 0.192 384 E C 2.239 178.929 176.600 0.150 0.000 0.984 384 E CA 0.758 57.338 56.400 0.300 0.000 0.806 384 E CB -0.150 29.833 29.700 0.472 0.000 0.750 384 E HN 0.579 nan 8.360 nan 0.000 0.458 385 M N -0.004 119.664 119.600 0.114 0.000 2.296 385 M HA -0.038 4.441 4.480 -0.001 0.000 0.265 385 M C 2.197 178.270 176.300 -0.377 0.000 1.064 385 M CA 1.055 56.290 55.300 -0.108 0.000 1.109 385 M CB -1.140 31.442 32.600 -0.030 0.000 1.396 385 M HN 0.096 nan 8.290 nan 0.000 0.430 386 G N -0.778 107.946 108.800 -0.125 0.000 2.408 386 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.217 386 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.217 386 G C 1.391 176.130 174.900 -0.268 0.000 1.150 386 G CA 0.504 45.536 45.100 -0.114 0.000 0.776 386 G HN 0.419 nan 8.290 nan 0.000 0.542 387 H N 0.522 119.455 119.070 -0.228 0.000 2.353 387 H HA -0.006 4.549 4.556 -0.001 0.000 0.300 387 H C 2.756 177.571 175.328 -0.855 0.000 1.090 387 H CA 0.925 56.759 56.048 -0.358 0.000 1.327 387 H CB -0.135 29.432 29.762 -0.325 0.000 1.383 387 H HN 0.188 nan 8.280 nan 0.000 0.508 388 I N 0.984 121.271 120.570 -0.471 0.000 2.264 388 I HA -0.238 3.931 4.170 -0.001 0.000 0.248 388 I C 2.547 178.317 176.117 -0.578 0.000 1.111 388 I CA 1.137 62.168 61.300 -0.449 0.000 1.382 388 I CB -0.939 36.886 38.000 -0.291 0.000 1.060 388 I HN 0.221 nan 8.210 nan 0.000 0.418 389 Q N 0.427 119.852 119.800 -0.625 0.000 2.084 389 Q HA -0.221 4.118 4.340 -0.001 0.000 0.202 389 Q C 2.307 178.035 176.000 -0.453 0.000 0.978 389 Q CA 1.713 57.157 55.803 -0.599 0.000 0.844 389 Q CB -0.574 27.745 28.738 -0.698 0.000 0.898 389 Q HN 0.546 nan 8.270 nan 0.000 0.426 390 Y N -0.763 119.200 120.300 -0.562 0.000 2.181 390 Y HA -0.241 4.308 4.550 -0.001 0.000 0.288 390 Y C 1.732 177.085 175.900 -0.911 0.000 1.146 390 Y CA 1.295 59.008 58.100 -0.645 0.000 1.164 390 Y CB -0.088 37.906 38.460 -0.777 0.000 0.982 390 Y HN 0.174 nan 8.280 nan 0.000 0.515 391 F N -0.602 119.056 119.950 -0.486 0.000 2.095 391 F HA -0.393 4.133 4.527 -0.001 0.000 0.298 391 F C 2.421 177.932 175.800 -0.481 0.000 1.104 391 F CA 1.032 58.735 58.000 -0.495 0.000 1.232 391 F CB -0.432 38.518 39.000 -0.083 0.000 0.987 391 F HN 0.082 nan 8.300 nan 0.000 0.475 392 M N -0.484 118.840 119.600 -0.460 0.000 2.159 392 M HA -0.203 4.276 4.480 -0.001 0.000 0.263 392 M C 2.202 178.401 176.300 -0.169 0.000 1.063 392 M CA 1.330 56.381 55.300 -0.416 0.000 1.110 392 M CB -0.535 31.732 32.600 -0.555 0.000 1.374 392 M HN 0.144 nan 8.290 nan 0.000 0.411 393 Q N 0.077 119.749 119.800 -0.213 0.000 2.119 393 Q HA -0.145 4.194 4.340 -0.001 0.000 0.201 393 Q C 1.335 177.387 176.000 0.087 0.000 0.972 393 Q CA 1.449 57.199 55.803 -0.089 0.000 0.847 393 Q CB -0.262 28.390 28.738 -0.143 0.000 0.903 393 Q HN 0.800 nan 8.270 nan 0.000 0.433 394 Y N -0.541 119.865 120.300 0.177 0.000 2.607 394 Y HA 0.328 4.877 4.550 -0.001 0.000 0.266 394 Y C 1.339 177.352 175.900 0.187 0.000 1.178 394 Y CA -0.773 57.440 58.100 0.189 0.000 1.226 394 Y CB -0.683 37.923 38.460 0.242 0.000 1.144 394 Y HN -0.004 nan 8.280 nan 0.000 0.528 395 K N -0.191 120.461 120.400 0.421 0.000 2.360 395 K HA -0.160 4.159 4.320 -0.001 0.000 0.201 395 K C 0.072 176.828 176.600 0.259 0.000 1.046 395 K CA 1.900 58.416 56.287 0.382 0.000 0.940 395 K CB -0.163 32.547 32.500 0.351 0.000 0.748 395 K HN 0.214 nan 8.250 nan 0.000 0.465 396 D N 0.799 121.325 120.400 0.209 0.000 2.349 396 D HA 0.141 4.780 4.640 -0.001 0.000 0.214 396 D C 0.435 176.804 176.300 0.115 0.000 1.063 396 D CA 0.125 54.206 54.000 0.136 0.000 0.847 396 D CB 0.242 41.106 40.800 0.106 0.000 0.933 396 D HN 0.206 nan 8.370 nan 0.000 0.513 397 L N 0.996 122.305 121.223 0.143 0.000 2.439 397 L HA 0.315 4.655 4.340 -0.001 0.000 0.259 397 L C -2.109 174.797 176.870 0.060 0.000 1.129 397 L CA -1.934 52.963 54.840 0.095 0.000 0.803 397 L CB 0.305 42.423 42.059 0.098 0.000 1.161 397 L HN -0.367 nan 8.230 nan 0.000 0.462 398 P HA -0.070 nan 4.420 nan 0.000 0.266 398 P C 0.902 178.203 177.300 0.001 0.000 1.195 398 P CA -0.161 62.940 63.100 0.002 0.000 0.768 398 P CB 0.563 32.270 31.700 0.013 0.000 0.838 399 V N 1.780 121.654 119.914 -0.066 0.000 2.453 399 V HA -0.310 3.809 4.120 -0.001 0.000 0.252 399 V C 1.912 178.028 176.094 0.037 0.000 1.068 399 V CA 2.163 64.422 62.300 -0.069 0.000 1.070 399 V CB -2.123 29.453 31.823 -0.411 0.000 0.664 399 V HN 0.541 nan 8.190 nan 0.000 0.461 400 A N 0.369 123.237 122.820 0.080 0.000 2.070 400 A HA 0.129 4.448 4.320 -0.001 0.000 0.220 400 A C 2.065 179.750 177.584 0.168 0.000 1.159 400 A CA 1.831 53.983 52.037 0.192 0.000 0.656 400 A CB -0.556 18.566 19.000 0.202 0.000 0.800 400 A HN 0.649 nan 8.150 nan 0.000 0.453 401 L N -1.198 120.090 121.223 0.109 0.000 2.728 401 L HA 0.180 4.520 4.340 -0.001 0.000 0.238 401 L C 0.560 177.385 176.870 -0.075 0.000 1.143 401 L CA -0.222 54.688 54.840 0.117 0.000 0.937 401 L CB 0.077 42.189 42.059 0.088 0.000 1.225 401 L HN 0.174 nan 8.230 nan 0.000 0.507 402 R N 1.578 121.973 120.500 -0.174 0.000 3.701 402 R HA 0.254 4.593 4.340 -0.001 0.000 0.210 402 R C -0.593 175.282 176.300 -0.708 0.000 1.598 402 R CA 0.128 55.830 56.100 -0.663 0.000 1.427 402 R CB 0.026 30.238 30.300 -0.147 0.000 1.339 402 R HN 0.281 nan 8.270 nan 0.000 0.720 403 E N -0.915 118.892 120.200 -0.654 0.000 2.458 403 E HA 0.391 4.740 4.350 -0.001 0.000 0.278 403 E C -0.310 176.227 176.600 -0.104 0.000 1.004 403 E CA -0.803 55.473 56.400 -0.207 0.000 0.823 403 E CB 1.257 30.789 29.700 -0.280 0.000 1.396 403 E HN 0.331 nan 8.360 nan 0.000 0.463 404 G N -0.255 108.520 108.800 -0.042 0.000 2.599 404 G HA2 0.361 4.320 3.960 -0.001 0.000 0.264 404 G HA3 0.361 4.320 3.960 -0.001 0.000 0.264 404 G C 0.834 175.795 174.900 0.101 0.000 1.200 404 G CA 0.081 45.047 45.100 -0.222 0.000 0.896 404 G HN 0.548 nan 8.290 nan 0.000 0.536 405 A N 0.857 123.724 122.820 0.079 0.000 1.940 405 A HA -0.070 4.249 4.320 -0.001 0.000 0.221 405 A C 1.236 178.878 177.584 0.096 0.000 1.190 405 A CA 2.354 54.346 52.037 -0.074 0.000 0.647 405 A CB -0.693 17.826 19.000 -0.803 0.000 0.821 405 A HN 1.223 nan 8.150 nan 0.000 0.457 406 N N -5.037 113.655 118.700 -0.012 0.000 2.823 406 N HA 0.407 5.146 4.740 -0.001 0.000 0.251 406 N C -2.924 172.570 175.510 -0.027 0.000 1.392 406 N CA -1.638 51.377 53.050 -0.058 0.000 0.864 406 N CB 0.483 38.870 38.487 -0.167 0.000 1.481 406 N HN -0.255 nan 8.380 nan 0.000 0.508 407 P HA -0.052 nan 4.420 nan 0.000 0.217 407 P C 1.286 178.674 177.300 0.147 0.000 1.148 407 P CA 2.242 65.302 63.100 -0.066 0.000 0.828 407 P CB -0.077 31.505 31.700 -0.197 0.000 0.783 408 G N -1.406 107.554 108.800 0.267 0.000 2.418 408 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.217 408 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.217 408 G C 1.201 176.307 174.900 0.342 0.000 1.158 408 G CA 0.393 45.671 45.100 0.297 0.000 0.771 408 G HN 0.140 nan 8.290 nan 0.000 0.545 409 F N 0.474 120.559 119.950 0.224 0.000 2.126 409 F HA -0.045 4.481 4.527 -0.001 0.000 0.299 409 F C 2.583 178.641 175.800 0.430 0.000 1.096 409 F CA 1.266 59.493 58.000 0.378 0.000 1.255 409 F CB -0.621 38.644 39.000 0.443 0.000 0.997 409 F HN 0.168 nan 8.300 nan 0.000 0.479 410 H N 0.429 119.770 119.070 0.452 0.000 2.387 410 H HA -0.103 4.452 4.556 -0.001 0.000 0.299 410 H C 1.979 177.431 175.328 0.207 0.000 1.090 410 H CA 1.634 57.876 56.048 0.324 0.000 1.332 410 H CB 0.095 29.936 29.762 0.133 0.000 1.386 410 H HN 0.213 nan 8.280 nan 0.000 0.516 411 E N -0.085 120.318 120.200 0.338 0.000 2.285 411 E HA -0.004 4.345 4.350 -0.001 0.000 0.194 411 E C 2.201 178.857 176.600 0.092 0.000 0.997 411 E CA 0.682 57.204 56.400 0.204 0.000 0.845 411 E CB -0.092 29.778 29.700 0.284 0.000 0.782 411 E HN 0.450 nan 8.360 nan 0.000 0.491 412 A N 1.332 124.217 122.820 0.109 0.000 1.975 412 A HA -0.052 4.267 4.320 -0.001 0.000 0.215 412 A C 2.102 179.685 177.584 -0.003 0.000 1.170 412 A CA 0.316 52.363 52.037 0.018 0.000 0.656 412 A CB -0.220 18.745 19.000 -0.057 0.000 0.821 412 A HN 0.068 nan 8.150 nan 0.000 0.449 413 I N 0.594 121.188 120.570 0.039 0.000 2.087 413 I HA -0.289 3.880 4.170 -0.001 0.000 0.240 413 I C 2.681 178.769 176.117 -0.048 0.000 1.054 413 I CA 1.946 63.243 61.300 -0.005 0.000 1.311 413 I CB -2.032 35.950 38.000 -0.030 0.000 1.024 413 I HN 0.335 nan 8.210 nan 0.000 0.402 414 G N 0.418 109.174 108.800 -0.074 0.000 2.440 414 G HA2 -0.265 3.695 3.960 -0.001 0.000 0.218 414 G HA3 -0.265 3.695 3.960 -0.001 0.000 0.218 414 G C 1.260 176.095 174.900 -0.109 0.000 1.154 414 G CA 1.072 46.162 45.100 -0.017 0.000 0.767 414 G HN 0.349 nan 8.290 nan 0.000 0.552 415 D N 0.035 120.359 120.400 -0.127 0.000 2.149 415 D HA -0.090 4.549 4.640 -0.001 0.000 0.198 415 D C 2.707 178.785 176.300 -0.370 0.000 0.990 415 D CA 0.645 54.503 54.000 -0.237 0.000 0.839 415 D CB -0.348 40.285 40.800 -0.278 0.000 0.948 415 D HN 0.199 nan 8.370 nan 0.000 0.460 416 V N 0.398 120.127 119.914 -0.307 0.000 2.287 416 V HA -0.244 3.876 4.120 -0.001 0.000 0.248 416 V C 2.322 178.185 176.094 -0.385 0.000 1.053 416 V CA 1.274 63.386 62.300 -0.313 0.000 1.027 416 V CB -0.402 31.345 31.823 -0.127 0.000 0.646 416 V HN 0.163 nan 8.190 nan 0.000 0.447 417 L N 0.315 121.259 121.223 -0.464 0.000 2.056 417 L HA -0.057 4.282 4.340 -0.001 0.000 0.207 417 L C 2.587 178.955 176.870 -0.836 0.000 1.078 417 L CA 2.110 56.474 54.840 -0.792 0.000 0.749 417 L CB -1.180 40.256 42.059 -1.039 0.000 0.901 417 L HN 0.283 nan 8.230 nan 0.000 0.433 418 A N -0.801 121.651 122.820 -0.613 0.000 2.024 418 A HA -0.168 4.152 4.320 -0.001 0.000 0.220 418 A C 2.314 179.596 177.584 -0.502 0.000 1.164 418 A CA 1.408 53.075 52.037 -0.615 0.000 0.643 418 A CB -0.737 18.013 19.000 -0.418 0.000 0.806 418 A HN 0.394 nan 8.150 nan 0.000 0.451 419 L N -0.764 120.155 121.223 -0.506 0.000 2.046 419 L HA -0.176 4.163 4.340 -0.001 0.000 0.208 419 L C 2.856 179.541 176.870 -0.308 0.000 1.077 419 L CA 1.580 56.130 54.840 -0.483 0.000 0.747 419 L CB -0.428 41.134 42.059 -0.828 0.000 0.896 419 L HN 0.339 nan 8.230 nan 0.000 0.432 420 S N -0.700 114.815 115.700 -0.308 0.000 2.368 420 S HA -0.123 4.346 4.470 -0.001 0.000 0.224 420 S C 2.005 176.464 174.600 -0.234 0.000 1.029 420 S CA 1.000 59.122 58.200 -0.131 0.000 0.988 420 S CB -0.100 63.117 63.200 0.029 0.000 0.838 420 S HN 0.155 nan 8.310 nan 0.000 0.462 421 V N 1.718 121.358 119.914 -0.458 0.000 2.392 421 V HA -0.146 3.973 4.120 -0.001 0.000 0.249 421 V C 2.232 178.236 176.094 -0.150 0.000 1.059 421 V CA 1.763 63.773 62.300 -0.484 0.000 1.051 421 V CB -0.798 30.691 31.823 -0.556 0.000 0.658 421 V HN 0.417 nan 8.190 nan 0.000 0.455 422 S N -0.328 115.292 115.700 -0.133 0.000 2.481 422 S HA -0.063 4.406 4.470 -0.001 0.000 0.231 422 S C 1.167 175.827 174.600 0.099 0.000 0.996 422 S CA 0.845 59.056 58.200 0.017 0.000 0.942 422 S CB -0.463 62.767 63.200 0.050 0.000 0.768 422 S HN 0.859 nan 8.310 nan 0.000 0.520 423 T N 1.255 115.812 114.554 0.004 0.000 2.934 423 T HA 0.088 4.437 4.350 -0.001 0.000 0.306 423 T C -1.919 172.608 174.700 -0.288 0.000 1.042 423 T CA -1.170 60.761 62.100 -0.282 0.000 1.145 423 T CB 0.457 69.228 68.868 -0.162 0.000 0.982 423 T HN -0.058 nan 8.240 nan 0.000 0.544 424 P HA -0.142 nan 4.420 nan 0.000 0.216 424 P C 1.602 178.823 177.300 -0.132 0.000 1.154 424 P CA 1.197 64.136 63.100 -0.269 0.000 0.865 424 P CB 0.096 31.606 31.700 -0.316 0.000 0.789 425 K N -1.399 118.909 120.400 -0.155 0.000 2.057 425 K HA -0.237 4.082 4.320 -0.001 0.000 0.207 425 K C 2.204 178.791 176.600 -0.022 0.000 1.049 425 K CA 1.546 57.777 56.287 -0.093 0.000 0.931 425 K CB -0.462 31.974 32.500 -0.107 0.000 0.714 425 K HN 0.164 nan 8.250 nan 0.000 0.440 426 H N 0.350 119.374 119.070 -0.077 0.000 2.357 426 H HA -0.012 4.543 4.556 -0.001 0.000 0.301 426 H C 1.910 177.216 175.328 -0.037 0.000 1.082 426 H CA 1.681 57.697 56.048 -0.054 0.000 1.342 426 H CB -0.009 29.740 29.762 -0.022 0.000 1.389 426 H HN 0.102 nan 8.280 nan 0.000 0.511 427 L N -0.300 120.956 121.223 0.055 0.000 2.079 427 L HA -0.231 4.108 4.340 -0.001 0.000 0.210 427 L C 2.584 179.423 176.870 -0.052 0.000 1.081 427 L CA 1.528 56.365 54.840 -0.006 0.000 0.752 427 L CB -0.623 41.423 42.059 -0.021 0.000 0.896 427 L HN 0.535 nan 8.230 nan 0.000 0.433 428 H N 0.041 119.043 119.070 -0.114 0.000 2.423 428 H HA -0.131 4.424 4.556 -0.001 0.000 0.297 428 H C 2.349 177.603 175.328 -0.123 0.000 1.075 428 H CA 1.697 57.680 56.048 -0.108 0.000 1.342 428 H CB 0.271 29.969 29.762 -0.107 0.000 1.395 428 H HN 0.391 nan 8.280 nan 0.000 0.530 429 S N 0.070 115.740 115.700 -0.050 0.000 2.447 429 S HA -0.034 4.435 4.470 -0.001 0.000 0.233 429 S C 2.041 176.537 174.600 -0.174 0.000 1.006 429 S CA 0.581 58.699 58.200 -0.138 0.000 0.957 429 S CB -0.467 62.554 63.200 -0.298 0.000 0.773 429 S HN 0.417 nan 8.310 nan 0.000 0.507 430 L N 0.862 121.994 121.223 -0.151 0.000 2.592 430 L HA 0.311 4.651 4.340 -0.001 0.000 0.227 430 L C 0.788 177.672 176.870 0.023 0.000 1.127 430 L CA 0.109 54.952 54.840 0.005 0.000 0.884 430 L CB -0.697 41.424 42.059 0.104 0.000 1.065 430 L HN 0.343 nan 8.230 nan 0.000 0.457 431 N N 0.113 118.736 118.700 -0.129 0.000 2.780 431 N HA -0.207 4.532 4.740 -0.001 0.000 0.248 431 N C 0.188 175.605 175.510 -0.155 0.000 1.102 431 N CA 0.520 53.464 53.050 -0.176 0.000 0.697 431 N CB -1.208 37.241 38.487 -0.063 0.000 1.028 431 N HN 0.303 nan 8.380 nan 0.000 0.554 432 L N -1.164 119.950 121.223 -0.181 0.000 2.766 432 L HA 0.392 4.731 4.340 -0.001 0.000 0.242 432 L C 0.447 177.235 176.870 -0.137 0.000 1.136 432 L CA 0.183 54.905 54.840 -0.195 0.000 0.933 432 L CB 0.208 42.101 42.059 -0.277 0.000 1.241 432 L HN 0.146 nan 8.230 nan 0.000 0.522 433 L N -1.349 119.798 121.223 -0.127 0.000 2.479 433 L HA 0.518 4.857 4.340 -0.001 0.000 0.255 433 L C -0.526 176.350 176.870 0.010 0.000 1.026 433 L CA -0.436 54.383 54.840 -0.035 0.000 0.842 433 L CB 2.591 44.662 42.059 0.019 0.000 1.444 433 L HN -0.007 nan 8.230 nan 0.000 0.409 440 D N 1.476 121.865 120.400 -0.019 0.000 2.092 440 D HA -0.124 4.516 4.640 -0.001 0.000 0.193 440 D C 1.382 177.584 176.300 -0.164 0.000 0.994 440 D CA 1.909 55.875 54.000 -0.057 0.000 0.828 440 D CB -0.581 40.175 40.800 -0.072 0.000 0.963 440 D HN 0.842 nan 8.370 nan 0.000 0.450 441 E N -0.893 119.087 120.200 -0.367 0.000 2.160 441 E HA -0.164 4.186 4.350 -0.001 0.000 0.195 441 E C 2.042 178.454 176.600 -0.312 0.000 0.991 441 E CA 1.131 57.093 56.400 -0.730 0.000 0.810 441 E CB -0.194 28.905 29.700 -1.001 0.000 0.742 441 E HN 0.743 nan 8.360 nan 0.000 0.466 442 H N -0.068 118.936 119.070 -0.110 0.000 2.470 442 H HA -0.029 4.526 4.556 -0.001 0.000 0.289 442 H C 1.626 176.993 175.328 0.064 0.000 1.033 442 H CA 0.964 57.013 56.048 0.003 0.000 1.331 442 H CB 0.273 30.028 29.762 -0.013 0.000 1.414 442 H HN 0.072 nan 8.280 nan 0.000 0.545 443 D N 0.211 120.699 120.400 0.147 0.000 2.117 443 D HA -0.118 4.521 4.640 -0.001 0.000 0.198 443 D C 2.009 178.347 176.300 0.063 0.000 0.982 443 D CA 0.767 54.866 54.000 0.165 0.000 0.828 443 D CB 0.146 41.038 40.800 0.154 0.000 0.967 443 D HN 0.271 nan 8.370 nan 0.000 0.464 444 I N 1.492 122.049 120.570 -0.022 0.000 2.252 444 I HA -0.183 3.986 4.170 -0.001 0.000 0.245 444 I C 1.929 178.005 176.117 -0.069 0.000 1.102 444 I CA 0.854 62.078 61.300 -0.127 0.000 1.385 444 I CB -1.122 36.727 38.000 -0.251 0.000 1.064 444 I HN -0.041 nan 8.210 nan 0.000 0.414 445 N N 0.945 119.687 118.700 0.070 0.000 2.120 445 N HA -0.212 4.528 4.740 -0.001 0.000 0.188 445 N C 1.790 177.428 175.510 0.213 0.000 1.024 445 N CA 1.119 54.283 53.050 0.191 0.000 0.852 445 N CB -0.613 38.020 38.487 0.244 0.000 1.003 445 N HN 0.284 nan 8.380 nan 0.000 0.424 446 F N 1.557 121.534 119.950 0.045 0.000 2.102 446 F HA -0.001 4.526 4.527 -0.001 0.000 0.298 446 F C 2.012 177.835 175.800 0.038 0.000 1.105 446 F CA 1.020 59.032 58.000 0.020 0.000 1.239 446 F CB -0.585 38.439 39.000 0.039 0.000 0.991 446 F HN -0.054 nan 8.300 nan 0.000 0.474 447 L N -0.415 120.672 121.223 -0.227 0.000 2.079 447 L HA -0.246 4.094 4.340 -0.001 0.000 0.210 447 L C 2.483 179.347 176.870 -0.010 0.000 1.081 447 L CA 1.501 56.193 54.840 -0.246 0.000 0.752 447 L CB -0.640 41.313 42.059 -0.175 0.000 0.896 447 L HN 0.321 nan 8.230 nan 0.000 0.433 448 M N 0.193 119.796 119.600 0.005 0.000 2.132 448 M HA -0.206 4.274 4.480 -0.001 0.000 0.263 448 M C 2.166 178.551 176.300 0.141 0.000 1.065 448 M CA 1.802 57.159 55.300 0.095 0.000 1.122 448 M CB -0.354 32.318 32.600 0.120 0.000 1.365 448 M HN -0.050 nan 8.290 nan 0.000 0.411 449 K N -0.713 119.718 120.400 0.052 0.000 2.057 449 K HA -0.145 4.174 4.320 -0.001 0.000 0.207 449 K C 1.839 178.416 176.600 -0.038 0.000 1.049 449 K CA 1.615 57.866 56.287 -0.061 0.000 0.931 449 K CB -0.021 32.285 32.500 -0.324 0.000 0.714 449 K HN 0.300 nan 8.250 nan 0.000 0.440 450 M N 0.156 119.683 119.600 -0.121 0.000 2.132 450 M HA -0.077 4.403 4.480 -0.001 0.000 0.263 450 M C 2.361 178.780 176.300 0.197 0.000 1.065 450 M CA 1.520 56.820 55.300 0.000 0.000 1.122 450 M CB -1.040 31.508 32.600 -0.086 0.000 1.365 450 M HN 0.242 nan 8.290 nan 0.000 0.411 451 A N 0.268 123.212 122.820 0.207 0.000 1.930 451 A HA -0.096 4.223 4.320 -0.001 0.000 0.217 451 A C 2.277 179.825 177.584 -0.060 0.000 1.175 451 A CA 1.099 53.072 52.037 -0.107 0.000 0.627 451 A CB -0.937 17.947 19.000 -0.194 0.000 0.815 451 A HN 0.472 nan 8.150 nan 0.000 0.443 452 L N -0.701 120.561 121.223 0.065 0.000 2.187 452 L HA -0.210 4.129 4.340 -0.001 0.000 0.213 452 L C 1.778 178.676 176.870 0.046 0.000 1.100 452 L CA 1.360 56.274 54.840 0.122 0.000 0.765 452 L CB -0.399 41.821 42.059 0.269 0.000 0.904 452 L HN 0.350 nan 8.230 nan 0.000 0.437 453 D N -0.969 119.469 120.400 0.063 0.000 2.468 453 D HA -0.047 4.592 4.640 -0.001 0.000 0.243 453 D C 2.203 178.608 176.300 0.174 0.000 0.994 453 D CA 0.588 54.641 54.000 0.089 0.000 0.932 453 D CB 0.093 40.941 40.800 0.079 0.000 1.078 453 D HN -0.021 nan 8.370 nan 0.000 0.473 454 K N 0.855 121.377 120.400 0.203 0.000 2.057 454 K HA -0.016 4.303 4.320 -0.001 0.000 0.206 454 K C 2.020 178.748 176.600 0.213 0.000 1.050 454 K CA 0.588 57.088 56.287 0.355 0.000 0.935 454 K CB -0.162 32.541 32.500 0.339 0.000 0.715 454 K HN 0.198 nan 8.250 nan 0.000 0.439 455 I N 0.861 121.371 120.570 -0.100 0.000 2.400 455 I HA -0.066 4.103 4.170 -0.001 0.000 0.248 455 I C 2.345 178.408 176.117 -0.089 0.000 1.109 455 I CA 0.818 62.013 61.300 -0.176 0.000 1.425 455 I CB -1.459 36.327 38.000 -0.358 0.000 1.094 455 I HN -0.032 nan 8.210 nan 0.000 0.425 456 A N 0.353 123.039 122.820 -0.224 0.000 1.978 456 A HA -0.256 4.063 4.320 -0.001 0.000 0.220 456 A C 2.222 179.666 177.584 -0.233 0.000 1.170 456 A CA 1.321 53.061 52.037 -0.495 0.000 0.636 456 A CB -1.041 17.127 19.000 -1.386 0.000 0.810 456 A HN 0.385 nan 8.150 nan 0.000 0.448 457 F N 0.361 120.183 119.950 -0.215 0.000 2.407 457 F HA -0.050 4.476 4.527 -0.001 0.000 0.299 457 F C 1.805 177.551 175.800 -0.091 0.000 1.097 457 F CA 0.331 58.238 58.000 -0.155 0.000 1.422 457 F CB 0.022 38.838 39.000 -0.307 0.000 1.067 457 F HN 0.105 nan 8.300 nan 0.000 0.539 458 I N 2.326 122.871 120.570 -0.041 0.000 2.091 458 I HA -0.228 3.942 4.170 -0.001 0.000 0.239 458 I C -0.208 175.960 176.117 0.086 0.000 1.061 458 I CA 1.809 63.120 61.300 0.019 0.000 1.317 458 I CB -2.770 35.239 38.000 0.015 0.000 1.031 458 I HN 0.094 nan 8.210 nan 0.000 0.401 459 P HA -0.204 nan 4.420 nan 0.000 0.219 459 P C 2.013 179.231 177.300 -0.137 0.000 1.150 459 P CA 1.460 64.578 63.100 0.030 0.000 0.814 459 P CB -0.285 31.347 31.700 -0.114 0.000 0.787 460 F N 2.667 122.430 119.950 -0.312 0.000 2.113 460 F HA -0.171 4.355 4.527 -0.001 0.000 0.297 460 F C 2.410 177.930 175.800 -0.467 0.000 1.103 460 F CA 2.196 59.972 58.000 -0.374 0.000 1.248 460 F CB -0.814 37.997 39.000 -0.314 0.000 0.999 460 F HN -0.058 nan 8.300 nan 0.000 0.475 461 S N -1.006 114.358 115.700 -0.559 0.000 2.442 461 S HA -0.271 4.198 4.470 -0.001 0.000 0.236 461 S C 1.944 176.407 174.600 -0.228 0.000 1.007 461 S CA 1.128 59.088 58.200 -0.401 0.000 0.965 461 S CB -1.357 61.477 63.200 -0.611 0.000 0.773 461 S HN 0.604 nan 8.310 nan 0.000 0.504 462 Y N 1.936 121.941 120.300 -0.490 0.000 2.243 462 Y HA 0.242 4.791 4.550 -0.001 0.000 0.293 462 Y C 2.087 177.434 175.900 -0.921 0.000 1.124 462 Y CA 0.897 58.474 58.100 -0.872 0.000 1.159 462 Y CB -0.382 37.416 38.460 -1.105 0.000 1.008 462 Y HN 0.331 nan 8.280 nan 0.000 0.527 463 L N -0.928 119.789 121.223 -0.843 0.000 2.046 463 L HA -0.157 4.182 4.340 -0.001 0.000 0.208 463 L C 2.005 178.434 176.870 -0.736 0.000 1.077 463 L CA 1.482 55.824 54.840 -0.830 0.000 0.747 463 L CB -0.633 41.011 42.059 -0.693 0.000 0.896 463 L HN 0.106 nan 8.230 nan 0.000 0.432 464 V N 0.625 120.070 119.914 -0.782 0.000 2.231 464 V HA -0.351 3.768 4.120 -0.001 0.000 0.250 464 V C 2.027 177.928 176.094 -0.322 0.000 1.058 464 V CA 2.398 64.374 62.300 -0.540 0.000 1.022 464 V CB -0.749 30.618 31.823 -0.760 0.000 0.640 464 V HN 0.527 nan 8.190 nan 0.000 0.445 465 D N -1.325 118.767 120.400 -0.514 0.000 2.347 465 D HA -0.047 4.592 4.640 -0.001 0.000 0.213 465 D C 2.320 177.896 176.300 -1.208 0.000 0.985 465 D CA 0.296 53.841 54.000 -0.759 0.000 0.879 465 D CB -0.085 40.220 40.800 -0.826 0.000 0.919 465 D HN 0.382 nan 8.370 nan 0.000 0.526 466 Q N -0.872 118.343 119.800 -0.976 0.000 2.119 466 Q HA -0.124 4.215 4.340 -0.001 0.000 0.201 466 Q C 1.930 177.760 176.000 -0.283 0.000 0.972 466 Q CA 0.703 56.082 55.803 -0.706 0.000 0.847 466 Q CB -0.346 27.989 28.738 -0.672 0.000 0.903 466 Q HN 0.481 nan 8.270 nan 0.000 0.433 467 W N 1.633 122.705 121.300 -0.379 0.000 2.407 467 W HA -0.073 4.586 4.660 -0.001 0.000 0.305 467 W C 2.199 178.610 176.519 -0.180 0.000 1.196 467 W CA 1.223 58.460 57.345 -0.179 0.000 1.311 467 W CB -0.060 29.365 29.460 -0.059 0.000 1.135 467 W HN -0.024 nan 8.180 nan 0.000 0.514 468 R N -0.725 119.696 120.500 -0.132 0.000 2.096 468 R HA -0.191 4.148 4.340 -0.001 0.000 0.235 468 R C 2.004 178.010 176.300 -0.489 0.000 1.127 468 R CA 1.776 57.584 56.100 -0.487 0.000 0.968 468 R CB -0.960 29.189 30.300 -0.251 0.000 0.861 468 R HN 0.237 nan 8.270 nan 0.000 0.440 469 W N 0.879 122.029 121.300 -0.249 0.000 2.363 469 W HA -0.090 4.569 4.660 -0.001 0.000 0.296 469 W C 1.968 178.395 176.519 -0.154 0.000 1.212 469 W CA 0.719 57.995 57.345 -0.115 0.000 1.260 469 W CB -0.570 28.855 29.460 -0.059 0.000 1.131 469 W HN 0.100 nan 8.180 nan 0.000 0.530 470 R N -0.624 119.865 120.500 -0.017 0.000 2.193 470 R HA -0.017 4.322 4.340 -0.001 0.000 0.213 470 R C 2.044 178.234 176.300 -0.184 0.000 1.055 470 R CA 0.806 56.859 56.100 -0.078 0.000 0.995 470 R CB -0.508 29.739 30.300 -0.088 0.000 0.893 470 R HN -0.002 nan 8.270 nan 0.000 0.459 471 V N 0.304 119.974 119.914 -0.407 0.000 2.323 471 V HA -0.181 3.938 4.120 -0.001 0.000 0.244 471 V C 1.873 177.878 176.094 -0.148 0.000 1.041 471 V CA 1.673 63.733 62.300 -0.401 0.000 1.025 471 V CB -0.423 30.925 31.823 -0.791 0.000 0.656 471 V HN 0.239 nan 8.190 nan 0.000 0.451 472 F N 1.464 121.308 119.950 -0.176 0.000 2.134 472 F HA -0.200 4.327 4.527 -0.001 0.000 0.299 472 F C 2.217 177.930 175.800 -0.145 0.000 1.097 472 F CA 1.230 59.114 58.000 -0.194 0.000 1.264 472 F CB -0.304 38.546 39.000 -0.250 0.000 1.001 472 F HN 0.411 nan 8.300 nan 0.000 0.479 473 D N -0.453 119.999 120.400 0.086 0.000 2.336 473 D HA 0.085 4.724 4.640 -0.001 0.000 0.229 473 D C 1.585 177.888 176.300 0.004 0.000 1.061 473 D CA 0.852 54.867 54.000 0.024 0.000 0.875 473 D CB -0.179 40.630 40.800 0.016 0.000 0.904 473 D HN 0.345 nan 8.370 nan 0.000 0.525 474 G N -0.407 108.395 108.800 0.003 0.000 2.179 474 G HA2 -0.367 3.592 3.960 -0.001 0.000 0.260 474 G HA3 -0.367 3.592 3.960 -0.001 0.000 0.260 474 G C 1.325 176.219 174.900 -0.010 0.000 0.977 474 G CA 0.509 45.606 45.100 -0.005 0.000 0.641 474 G HN 0.354 nan 8.290 nan 0.000 0.533 475 S N -0.432 115.259 115.700 -0.014 0.000 2.423 475 S HA 0.191 4.660 4.470 -0.001 0.000 0.231 475 S C 1.062 175.657 174.600 -0.009 0.000 1.014 475 S CA 0.927 59.122 58.200 -0.008 0.000 0.965 475 S CB 0.085 63.282 63.200 -0.004 0.000 0.785 475 S HN 0.563 nan 8.310 nan 0.000 0.495 476 I N 2.442 122.994 120.570 -0.029 0.000 2.382 476 I HA 0.220 4.389 4.170 -0.001 0.000 0.285 476 I C 0.391 176.523 176.117 0.024 0.000 1.007 476 I CA -0.548 60.752 61.300 -0.001 0.000 1.142 476 I CB 1.673 39.636 38.000 -0.061 0.000 1.289 476 I HN 0.071 nan 8.210 nan 0.000 0.453 477 T N 1.543 116.084 114.554 -0.021 0.000 2.847 477 T HA 0.241 4.590 4.350 -0.001 0.000 0.279 477 T C 1.124 175.577 174.700 -0.411 0.000 0.984 477 T CA -0.756 61.271 62.100 -0.121 0.000 0.988 477 T CB 1.304 70.110 68.868 -0.103 0.000 1.040 477 T HN 0.763 nan 8.240 nan 0.000 0.528 478 K N 0.248 120.218 120.400 -0.717 0.000 2.360 478 K HA -0.114 4.205 4.320 -0.001 0.000 0.201 478 K C 1.434 177.642 176.600 -0.653 0.000 1.046 478 K CA 1.256 56.696 56.287 -1.412 0.000 0.945 478 K CB -0.103 31.932 32.500 -0.775 0.000 0.750 478 K HN 0.654 nan 8.250 nan 0.000 0.464 479 E N 0.954 120.966 120.200 -0.314 0.000 2.208 479 E HA -0.074 4.276 4.350 -0.001 0.000 0.193 479 E C 0.694 177.276 176.600 -0.030 0.000 0.988 479 E CA 0.690 57.014 56.400 -0.126 0.000 0.828 479 E CB -0.037 29.618 29.700 -0.074 0.000 0.763 479 E HN 0.508 nan 8.360 nan 0.000 0.478 480 N N -0.233 118.461 118.700 -0.010 0.000 2.200 480 N HA 0.084 4.823 4.740 -0.001 0.000 0.224 480 N C 1.065 176.784 175.510 0.349 0.000 1.179 480 N CA -0.124 53.013 53.050 0.145 0.000 0.877 480 N CB 0.225 38.785 38.487 0.121 0.000 1.072 480 N HN 0.276 nan 8.380 nan 0.000 0.519 481 Y N 1.693 122.179 120.300 0.310 0.000 2.002 481 Y HA -0.335 4.215 4.550 -0.001 0.000 0.268 481 Y C 2.342 178.612 175.900 0.617 0.000 1.177 481 Y CA 1.239 59.674 58.100 0.559 0.000 1.111 481 Y CB -0.117 38.708 38.460 0.608 0.000 0.952 481 Y HN 0.115 nan 8.280 nan 0.000 0.491 482 N N -0.234 118.840 118.700 0.622 0.000 2.188 482 N HA -0.167 4.572 4.740 -0.001 0.000 0.184 482 N C 1.604 177.430 175.510 0.525 0.000 1.018 482 N CA 1.346 54.679 53.050 0.471 0.000 0.858 482 N CB -0.148 38.577 38.487 0.396 0.000 0.989 482 N HN 0.277 nan 8.380 nan 0.000 0.426 483 Q N 0.169 120.226 119.800 0.428 0.000 2.124 483 Q HA -0.047 4.293 4.340 -0.001 0.000 0.202 483 Q C 1.602 177.825 176.000 0.373 0.000 0.977 483 Q CA 1.059 57.083 55.803 0.367 0.000 0.850 483 Q CB -0.032 28.857 28.738 0.252 0.000 0.901 483 Q HN 0.333 nan 8.270 nan 0.000 0.429 484 E N -0.491 119.957 120.200 0.413 0.000 2.152 484 E HA -0.139 4.210 4.350 -0.001 0.000 0.192 484 E C 1.465 178.316 176.600 0.419 0.000 0.983 484 E CA 0.436 57.073 56.400 0.395 0.000 0.818 484 E CB -0.348 29.598 29.700 0.409 0.000 0.758 484 E HN 0.529 nan 8.360 nan 0.000 0.467 485 W N 0.199 121.607 121.300 0.180 0.000 2.355 485 W HA -0.212 4.447 4.660 -0.002 0.000 0.309 485 W C 1.251 177.563 176.519 -0.346 0.000 1.206 485 W CA 0.991 58.127 57.345 -0.349 0.000 1.284 485 W CB -0.605 28.383 29.460 -0.787 0.000 1.145 485 W HN 0.101 nan 8.180 nan 0.000 0.502 486 W N 0.918 122.282 121.300 0.107 0.000 2.467 486 W HA -0.123 4.537 4.660 -0.001 0.000 0.275 486 W C 2.870 179.372 176.519 -0.029 0.000 1.239 486 W CA 1.610 58.956 57.345 0.000 0.000 1.266 486 W CB -0.718 28.815 29.460 0.122 0.000 1.112 486 W HN -0.264 nan 8.180 nan 0.000 0.576 487 S N 0.541 116.353 115.700 0.185 0.000 2.402 487 S HA -0.130 4.339 4.470 -0.001 0.000 0.229 487 S C 1.781 176.390 174.600 0.014 0.000 1.021 487 S CA 1.000 59.272 58.200 0.120 0.000 0.974 487 S CB -0.426 62.852 63.200 0.130 0.000 0.800 487 S HN 0.205 nan 8.310 nan 0.000 0.484 488 L N 0.714 121.900 121.223 -0.062 0.000 2.131 488 L HA 0.019 4.358 4.340 -0.001 0.000 0.206 488 L C 2.713 179.472 176.870 -0.186 0.000 1.087 488 L CA 0.731 55.508 54.840 -0.106 0.000 0.767 488 L CB -0.356 41.631 42.059 -0.120 0.000 0.917 488 L HN 0.149 nan 8.230 nan 0.000 0.441 489 R N 0.059 120.320 120.500 -0.399 0.000 2.091 489 R HA -0.177 4.162 4.340 -0.001 0.000 0.238 489 R C 2.157 178.391 176.300 -0.111 0.000 1.136 489 R CA 1.379 57.243 56.100 -0.393 0.000 0.959 489 R CB -0.803 29.089 30.300 -0.681 0.000 0.856 489 R HN 0.258 nan 8.270 nan 0.000 0.437 490 L N 1.419 122.622 121.223 -0.033 0.000 2.023 490 L HA -0.086 4.253 4.340 -0.001 0.000 0.205 490 L C 2.431 179.319 176.870 0.030 0.000 1.073 490 L CA 1.874 56.678 54.840 -0.060 0.000 0.745 490 L CB -0.581 41.504 42.059 0.044 0.000 0.900 490 L HN -0.012 nan 8.230 nan 0.000 0.435 491 K N -1.592 118.845 120.400 0.061 0.000 2.044 491 K HA -0.248 4.071 4.320 -0.001 0.000 0.210 491 K C 2.037 178.657 176.600 0.033 0.000 1.049 491 K CA 2.389 58.694 56.287 0.030 0.000 0.927 491 K CB -0.387 31.924 32.500 -0.315 0.000 0.713 491 K HN 0.469 nan 8.250 nan 0.000 0.443 492 Y N -0.231 120.177 120.300 0.180 0.000 2.301 492 Y HA 0.036 4.585 4.550 -0.001 0.000 0.295 492 Y C 2.289 178.349 175.900 0.266 0.000 1.126 492 Y CA 0.557 58.776 58.100 0.199 0.000 1.154 492 Y CB 0.311 38.720 38.460 -0.085 0.000 1.075 492 Y HN 0.075 nan 8.280 nan 0.000 0.534 493 Q N -0.543 119.404 119.800 0.246 0.000 2.402 493 Q HA 0.160 4.499 4.340 -0.001 0.000 0.206 493 Q C 1.062 177.108 176.000 0.078 0.000 0.919 493 Q CA 0.511 56.469 55.803 0.258 0.000 0.923 493 Q CB 0.654 29.530 28.738 0.231 0.000 1.048 493 Q HN 0.585 nan 8.270 nan 0.000 0.515 494 G N 1.598 110.058 108.800 -0.568 0.000 2.246 494 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.273 494 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.273 494 G C -0.263 174.311 174.900 -0.542 0.000 1.055 494 G CA 0.120 44.166 45.100 -1.756 0.000 0.851 494 G HN 0.183 nan 8.290 nan 0.000 0.500 495 L N -0.903 120.195 121.223 -0.207 0.000 2.319 495 L HA 0.820 5.159 4.340 -0.001 0.000 0.267 495 L C 0.951 177.877 176.870 0.094 0.000 1.011 495 L CA -1.010 53.842 54.840 0.020 0.000 0.818 495 L CB 2.083 44.248 42.059 0.176 0.000 1.316 495 L HN 0.530 nan 8.230 nan 0.000 0.432 496 C N -0.566 118.784 119.300 0.083 0.000 2.802 496 C HA 0.726 5.185 4.460 -0.001 0.000 0.307 496 C C -2.760 172.117 174.990 -0.188 0.000 1.222 496 C CA -2.375 56.648 59.018 0.009 0.000 1.580 496 C CB 1.958 29.660 27.740 -0.064 0.000 2.119 496 C HN 0.488 nan 8.230 nan 0.000 0.479 497 P HA 0.268 nan 4.420 nan 0.000 0.282 497 P C -1.871 175.068 177.300 -0.600 0.000 1.262 497 P CA -0.837 61.750 63.100 -0.855 0.000 0.773 497 P CB 1.043 31.994 31.700 -1.249 0.000 0.879 498 P HA -0.073 nan 4.420 nan 0.000 0.222 498 P C 0.232 177.300 177.300 -0.385 0.000 1.147 498 P CA 0.971 63.703 63.100 -0.613 0.000 0.790 498 P CB 0.446 31.412 31.700 -1.223 0.000 0.780 499 V N 2.896 122.600 119.914 -0.350 0.000 2.531 499 V HA 0.291 4.410 4.120 -0.001 0.000 0.301 499 V C -2.298 173.713 176.094 -0.137 0.000 1.034 499 V CA -2.255 59.956 62.300 -0.147 0.000 0.865 499 V CB 2.093 33.901 31.823 -0.026 0.000 0.995 499 V HN -0.045 nan 8.190 nan 0.000 0.424 500 P HA 0.112 nan 4.420 nan 0.000 0.265 500 P C -0.661 176.591 177.300 -0.080 0.000 1.193 500 P CA -0.267 62.764 63.100 -0.115 0.000 0.765 500 P CB 0.540 32.199 31.700 -0.069 0.000 0.823 501 R N 1.897 122.334 120.500 -0.105 0.000 2.582 501 R HA 0.480 4.819 4.340 -0.001 0.000 0.271 501 R C 0.896 177.200 176.300 0.007 0.000 1.078 501 R CA -0.088 55.992 56.100 -0.034 0.000 1.127 501 R CB -0.451 29.838 30.300 -0.018 0.000 1.038 501 R HN 0.560 nan 8.270 nan 0.000 0.500 502 T N -2.607 111.964 114.554 0.028 0.000 2.887 502 T HA 0.212 4.561 4.350 -0.001 0.000 0.292 502 T C -0.123 174.606 174.700 0.047 0.000 1.087 502 T CA -0.986 61.133 62.100 0.030 0.000 1.009 502 T CB 1.795 70.672 68.868 0.016 0.000 1.203 502 T HN 0.344 nan 8.240 nan 0.000 0.518 503 Q N 0.072 119.896 119.800 0.040 0.000 2.283 503 Q HA 0.315 4.654 4.340 -0.001 0.000 0.301 503 Q C 1.306 177.328 176.000 0.036 0.000 1.063 503 Q CA 2.030 57.858 55.803 0.043 0.000 0.952 503 Q CB 0.082 28.836 28.738 0.026 0.000 1.166 503 Q HN 1.407 nan 8.270 nan 0.000 0.381 504 G N 4.150 112.978 108.800 0.048 0.000 2.259 504 G HA2 -0.181 3.778 3.960 -0.001 0.000 0.217 504 G HA3 -0.181 3.778 3.960 -0.001 0.000 0.217 504 G C -0.277 174.660 174.900 0.061 0.000 1.001 504 G CA 0.046 45.167 45.100 0.035 0.000 0.627 504 G HN 0.651 nan 8.290 nan 0.000 0.501 505 D N -0.103 120.345 120.400 0.081 0.000 2.345 505 D HA 0.541 5.180 4.640 -0.001 0.000 0.247 505 D C -0.587 175.831 176.300 0.196 0.000 1.108 505 D CA 0.377 54.431 54.000 0.090 0.000 0.894 505 D CB 1.096 41.943 40.800 0.079 0.000 1.203 505 D HN 0.121 nan 8.370 nan 0.000 0.430 506 F N 2.643 122.543 119.950 -0.083 0.000 2.794 506 F HA 0.161 4.687 4.527 -0.001 0.000 0.353 506 F C 0.541 176.147 175.800 -0.323 0.000 1.371 506 F CA -0.872 57.034 58.000 -0.157 0.000 1.173 506 F CB 0.453 39.373 39.000 -0.134 0.000 1.693 506 F HN 0.061 nan 8.300 nan 0.000 0.606 507 D N 2.514 122.613 120.400 -0.502 0.000 2.182 507 D HA -0.119 4.520 4.640 -0.001 0.000 0.201 507 D C -0.750 174.842 176.300 -1.180 0.000 0.986 507 D CA 1.378 55.004 54.000 -0.623 0.000 0.847 507 D CB -0.885 39.794 40.800 -0.203 0.000 0.942 507 D HN 0.369 nan 8.370 nan 0.000 0.467 508 P HA -0.072 nan 4.420 nan 0.000 0.218 508 P C 1.536 177.935 177.300 -1.502 0.000 1.148 508 P CA 1.444 63.159 63.100 -2.308 0.000 0.822 508 P CB -0.187 29.811 31.700 -2.837 0.000 0.784 509 G N -0.205 107.665 108.800 -1.551 0.000 2.559 509 G HA2 -0.136 3.823 3.960 -0.001 0.000 0.216 509 G HA3 -0.136 3.823 3.960 -0.001 0.000 0.216 509 G C 1.330 176.055 174.900 -0.292 0.000 1.126 509 G CA 0.627 45.324 45.100 -0.671 0.000 0.778 509 G HN 0.338 nan 8.290 nan 0.000 0.543 510 A N -0.769 121.867 122.820 -0.306 0.000 2.278 510 A HA 0.432 4.751 4.320 -0.001 0.000 0.212 510 A C 1.029 179.008 177.584 0.657 0.000 1.213 510 A CA 0.255 52.341 52.037 0.081 0.000 0.840 510 A CB 0.029 18.947 19.000 -0.137 0.000 0.866 510 A HN 0.174 nan 8.150 nan 0.000 0.489 511 K N -0.527 119.942 120.400 0.116 0.000 2.339 511 K HA 0.433 4.752 4.320 -0.001 0.000 0.264 511 K C 0.209 176.614 176.600 -0.325 0.000 0.986 511 K CA -1.190 55.022 56.287 -0.125 0.000 0.866 511 K CB 0.063 32.341 32.500 -0.370 0.000 1.103 511 K HN 0.070 nan 8.250 nan 0.000 0.441 512 F N 3.955 123.558 119.950 -0.578 0.000 2.050 512 F HA -0.375 4.151 4.527 -0.001 0.000 0.294 512 F C 1.108 176.486 175.800 -0.703 0.000 1.113 512 F CA 2.418 59.795 58.000 -1.039 0.000 1.225 512 F CB -0.250 38.198 39.000 -0.920 0.000 0.953 512 F HN 0.881 nan 8.300 nan 0.000 0.501 513 H N -0.237 118.579 119.070 -0.422 0.000 2.489 513 H HA -0.144 4.412 4.556 -0.001 0.000 0.295 513 H C 2.214 177.376 175.328 -0.278 0.000 1.082 513 H CA 1.414 57.294 56.048 -0.281 0.000 1.295 513 H CB -0.390 29.473 29.762 0.168 0.000 1.380 513 H HN 0.266 nan 8.280 nan 0.000 0.548 514 I N 0.896 121.320 120.570 -0.243 0.000 2.141 514 I HA -0.109 4.060 4.170 -0.001 0.000 0.236 514 I C -0.428 175.594 176.117 -0.158 0.000 1.071 514 I CA 0.828 62.034 61.300 -0.156 0.000 1.345 514 I CB -2.037 35.729 38.000 -0.389 0.000 1.066 514 I HN 0.203 nan 8.210 nan 0.000 0.406 515 P HA -0.045 nan 4.420 nan 0.000 0.221 515 P C 1.469 178.519 177.300 -0.418 0.000 1.150 515 P CA 1.171 64.095 63.100 -0.293 0.000 0.800 515 P CB 0.036 31.586 31.700 -0.250 0.000 0.787 516 S N -0.539 114.792 115.700 -0.615 0.000 2.562 516 S HA 0.020 4.489 4.470 -0.001 0.000 0.221 516 S C 0.906 175.316 174.600 -0.317 0.000 0.975 516 S CA 0.449 58.274 58.200 -0.625 0.000 0.918 516 S CB -0.903 61.517 63.200 -1.300 0.000 0.772 516 S HN 0.207 nan 8.310 nan 0.000 0.531 517 S N 0.996 116.604 115.700 -0.154 0.000 3.628 517 S HA -0.146 4.323 4.470 -0.001 0.000 0.373 517 S C -0.249 174.399 174.600 0.080 0.000 0.968 517 S CA 0.010 58.317 58.200 0.178 0.000 1.215 517 S CB -1.359 62.028 63.200 0.311 0.000 0.912 517 S HN 0.269 nan 8.310 nan 0.000 0.495 518 V N 3.284 123.203 119.914 0.008 0.000 2.357 518 V HA 0.415 4.534 4.120 -0.001 0.000 0.284 518 V C -1.817 174.277 176.094 0.001 0.000 1.018 518 V CA -1.788 60.492 62.300 -0.032 0.000 0.841 518 V CB 1.605 33.494 31.823 0.110 0.000 0.991 518 V HN 0.295 nan 8.190 nan 0.000 0.437 519 P HA 0.012 nan 4.420 nan 0.000 0.266 519 P C -0.405 176.975 177.300 0.134 0.000 1.193 519 P CA 0.454 63.377 63.100 -0.294 0.000 0.770 519 P CB 0.500 31.869 31.700 -0.552 0.000 0.836 520 Y N 1.972 122.341 120.300 0.115 0.000 2.483 520 Y HA 0.151 4.701 4.550 -0.001 0.000 0.258 520 Y C 1.841 177.816 175.900 0.126 0.000 1.083 520 Y CA 0.161 58.363 58.100 0.170 0.000 1.283 520 Y CB -0.103 38.381 38.460 0.040 0.000 1.178 520 Y HN 0.170 nan 8.280 nan 0.000 0.515 521 I N 1.644 122.305 120.570 0.151 0.000 2.530 521 I HA -0.291 3.878 4.170 -0.001 0.000 0.257 521 I C 2.439 178.652 176.117 0.158 0.000 1.179 521 I CA 1.425 62.794 61.300 0.115 0.000 1.440 521 I CB -0.363 37.729 38.000 0.153 0.000 1.087 521 I HN 0.232 nan 8.210 nan 0.000 0.440 522 R N -0.732 119.815 120.500 0.078 0.000 2.127 522 R HA -0.227 4.112 4.340 -0.001 0.000 0.238 522 R C 1.979 178.244 176.300 -0.058 0.000 1.134 522 R CA 1.992 58.112 56.100 0.034 0.000 0.975 522 R CB -1.322 28.868 30.300 -0.183 0.000 0.865 522 R HN 0.380 nan 8.270 nan 0.000 0.447 523 Y N -0.114 120.219 120.300 0.056 0.000 2.337 523 Y HA -0.069 4.480 4.550 -0.001 0.000 0.293 523 Y C 2.145 178.193 175.900 0.246 0.000 1.123 523 Y CA 0.792 58.965 58.100 0.121 0.000 1.201 523 Y CB -0.224 38.151 38.460 -0.142 0.000 1.011 523 Y HN 0.023 nan 8.280 nan 0.000 0.545 524 F N -0.003 120.033 119.950 0.144 0.000 2.113 524 F HA -0.172 4.355 4.527 -0.001 0.000 0.297 524 F C 2.077 177.981 175.800 0.173 0.000 1.103 524 F CA 1.139 59.206 58.000 0.112 0.000 1.248 524 F CB -0.645 38.388 39.000 0.055 0.000 0.999 524 F HN -0.215 nan 8.300 nan 0.000 0.475 525 V N -0.319 119.734 119.914 0.232 0.000 2.287 525 V HA -0.315 3.804 4.120 -0.001 0.000 0.248 525 V C 2.686 178.790 176.094 0.016 0.000 1.053 525 V CA 2.062 64.413 62.300 0.086 0.000 1.027 525 V CB -1.206 30.703 31.823 0.144 0.000 0.646 525 V HN 0.543 nan 8.190 nan 0.000 0.447 526 S N -0.362 115.420 115.700 0.136 0.000 2.365 526 S HA -0.228 4.241 4.470 -0.001 0.000 0.225 526 S C 1.878 176.546 174.600 0.113 0.000 1.039 526 S CA 1.923 60.197 58.200 0.124 0.000 1.033 526 S CB -0.453 62.924 63.200 0.295 0.000 0.887 526 S HN 0.470 nan 8.310 nan 0.000 0.447 527 F N 1.483 121.435 119.950 0.003 0.000 2.216 527 F HA 0.032 4.558 4.527 -0.001 0.000 0.300 527 F C 2.121 177.929 175.800 0.014 0.000 1.085 527 F CA 0.401 58.426 58.000 0.041 0.000 1.326 527 F CB -0.391 38.705 39.000 0.160 0.000 1.027 527 F HN 0.263 nan 8.300 nan 0.000 0.497 528 I N 0.371 120.937 120.570 -0.006 0.000 2.206 528 I HA -0.209 3.960 4.170 -0.001 0.000 0.239 528 I C 2.563 178.611 176.117 -0.115 0.000 1.078 528 I CA 1.367 62.615 61.300 -0.087 0.000 1.367 528 I CB -1.328 36.543 38.000 -0.216 0.000 1.078 528 I HN 0.144 nan 8.210 nan 0.000 0.413 529 I N 0.290 120.685 120.570 -0.291 0.000 2.493 529 I HA -0.270 3.899 4.170 -0.001 0.000 0.254 529 I C 2.448 177.998 176.117 -0.946 0.000 1.160 529 I CA 1.120 62.040 61.300 -0.633 0.000 1.445 529 I CB -0.724 36.745 38.000 -0.884 0.000 1.086 529 I HN 0.345 nan 8.210 nan 0.000 0.433 530 Q N 0.983 120.398 119.800 -0.641 0.000 2.226 530 Q HA -0.173 4.166 4.340 -0.001 0.000 0.204 530 Q C 1.805 177.512 176.000 -0.488 0.000 0.975 530 Q CA 1.657 57.103 55.803 -0.596 0.000 0.866 530 Q CB -0.746 27.671 28.738 -0.535 0.000 0.915 530 Q HN 0.547 nan 8.270 nan 0.000 0.440 531 F N 1.398 121.177 119.950 -0.284 0.000 2.293 531 F HA 0.002 4.529 4.527 -0.001 0.000 0.297 531 F C 2.477 178.260 175.800 -0.029 0.000 1.089 531 F CA 1.040 58.954 58.000 -0.143 0.000 1.377 531 F CB 0.034 38.945 39.000 -0.148 0.000 1.051 531 F HN 0.065 nan 8.300 nan 0.000 0.511 532 Q N -0.699 119.121 119.800 0.033 0.000 2.119 532 Q HA -0.161 4.178 4.340 -0.001 0.000 0.201 532 Q C 2.058 178.188 176.000 0.217 0.000 0.972 532 Q CA 1.307 57.160 55.803 0.084 0.000 0.847 532 Q CB -0.232 28.509 28.738 0.005 0.000 0.903 532 Q HN 0.319 nan 8.270 nan 0.000 0.433 533 F N -0.449 119.487 119.950 -0.024 0.000 2.146 533 F HA -0.135 4.391 4.527 -0.001 0.000 0.298 533 F C 2.273 178.060 175.800 -0.022 0.000 1.096 533 F CA 1.349 59.319 58.000 -0.051 0.000 1.275 533 F CB -1.300 37.627 39.000 -0.122 0.000 1.008 533 F HN 0.220 nan 8.300 nan 0.000 0.480 534 H N 0.312 119.409 119.070 0.046 0.000 2.319 534 H HA -0.174 4.381 4.556 -0.001 0.000 0.299 534 H C 2.278 177.632 175.328 0.042 0.000 1.092 534 H CA 2.338 58.367 56.048 -0.032 0.000 1.302 534 H CB -0.323 29.340 29.762 -0.165 0.000 1.373 534 H HN 0.360 nan 8.280 nan 0.000 0.497 535 E N -0.275 119.972 120.200 0.078 0.000 2.038 535 E HA -0.224 4.125 4.350 -0.001 0.000 0.195 535 E C 2.307 178.918 176.600 0.018 0.000 1.000 535 E CA 1.171 57.596 56.400 0.041 0.000 0.803 535 E CB -0.311 29.470 29.700 0.135 0.000 0.750 535 E HN 0.573 nan 8.360 nan 0.000 0.448 536 A N 1.105 123.966 122.820 0.068 0.000 1.877 536 A HA -0.149 4.170 4.320 -0.001 0.000 0.216 536 A C 2.266 179.855 177.584 0.009 0.000 1.186 536 A CA 1.303 53.373 52.037 0.055 0.000 0.620 536 A CB -0.718 18.337 19.000 0.091 0.000 0.822 536 A HN 0.326 nan 8.150 nan 0.000 0.443 537 L N -0.759 120.458 121.223 -0.010 0.000 2.083 537 L HA -0.250 4.089 4.340 -0.001 0.000 0.209 537 L C 2.716 179.550 176.870 -0.060 0.000 1.083 537 L CA 1.272 56.090 54.840 -0.038 0.000 0.752 537 L CB -0.826 41.212 42.059 -0.035 0.000 0.899 537 L HN 0.493 nan 8.230 nan 0.000 0.433 538 c N -0.908 117.618 118.600 -0.122 0.000 2.446 538 c HA -0.150 4.419 4.570 -0.001 0.000 0.277 538 c C 2.883 176.974 174.090 0.001 0.000 1.275 538 c CA 0.465 56.724 56.329 -0.117 0.000 1.727 538 c CB -0.721 41.631 42.510 -0.263 0.000 2.010 538 c HN 0.549 nan 8.230 nan 0.000 0.486 539 Q N 1.350 121.153 119.800 0.004 0.000 2.084 539 Q HA -0.144 4.196 4.340 -0.001 0.000 0.202 539 Q C 2.330 178.339 176.000 0.015 0.000 0.978 539 Q CA 2.226 58.043 55.803 0.025 0.000 0.844 539 Q CB -0.403 28.351 28.738 0.026 0.000 0.898 539 Q HN 0.633 nan 8.270 nan 0.000 0.426 540 A N 0.383 123.205 122.820 0.004 0.000 2.015 540 A HA 0.030 4.349 4.320 -0.001 0.000 0.219 540 A C 2.064 179.646 177.584 -0.002 0.000 1.163 540 A CA 1.487 53.523 52.037 -0.001 0.000 0.646 540 A CB -0.484 18.510 19.000 -0.010 0.000 0.806 540 A HN 0.437 nan 8.150 nan 0.000 0.448 541 A N -1.719 121.102 122.820 0.002 0.000 2.238 541 A HA 0.419 4.738 4.320 -0.001 0.000 0.208 541 A C 1.718 179.316 177.584 0.024 0.000 1.177 541 A CA 1.104 53.145 52.037 0.007 0.000 0.804 541 A CB -0.911 18.092 19.000 0.005 0.000 0.823 541 A HN 1.825 nan 8.150 nan 0.000 0.482 542 G N -0.990 107.825 108.800 0.026 0.000 2.143 542 G HA2 -0.307 3.653 3.960 -0.001 0.000 0.248 542 G HA3 -0.307 3.653 3.960 -0.001 0.000 0.248 542 G C 0.099 175.015 174.900 0.026 0.000 0.991 542 G CA 0.498 45.608 45.100 0.017 0.000 0.689 542 G HN 1.040 nan 8.290 nan 0.000 0.522 543 H N 1.220 120.268 119.070 -0.037 0.000 2.732 543 H HA 0.572 5.127 4.556 -0.001 0.000 0.351 543 H C 0.809 176.113 175.328 -0.041 0.000 1.090 543 H CA 1.227 57.249 56.048 -0.044 0.000 1.431 543 H CB 0.810 30.536 29.762 -0.060 0.000 1.447 543 H HN 0.489 nan 8.280 nan 0.000 0.582 544 T N 1.856 115.959 114.554 -0.752 0.000 2.906 544 T HA 0.665 5.014 4.350 -0.001 0.000 0.295 544 T C 0.282 174.611 174.700 -0.619 0.000 1.061 544 T CA -0.117 61.698 62.100 -0.476 0.000 1.000 544 T CB 1.567 70.286 68.868 -0.249 0.000 1.103 544 T HN 1.253 nan 8.240 nan 0.000 0.486 545 G N 1.945 110.575 108.800 -0.283 0.000 2.610 545 G HA2 0.055 4.014 3.960 -0.001 0.000 0.304 545 G HA3 0.055 4.014 3.960 -0.001 0.000 0.304 545 G C -2.847 172.021 174.900 -0.053 0.000 1.309 545 G CA -0.782 44.216 45.100 -0.169 0.000 0.906 545 G HN 0.902 nan 8.290 nan 0.000 0.521 546 P HA 0.203 nan 4.420 nan 0.000 0.260 546 P C 1.226 178.528 177.300 0.003 0.000 1.172 546 P CA -0.213 62.866 63.100 -0.034 0.000 0.760 546 P CB 0.492 32.089 31.700 -0.171 0.000 0.773 547 L N 4.896 126.150 121.223 0.052 0.000 2.079 547 L HA -0.207 4.132 4.340 -0.001 0.000 0.210 547 L C 2.209 179.074 176.870 -0.009 0.000 1.081 547 L CA 1.818 56.704 54.840 0.076 0.000 0.752 547 L CB -1.176 40.986 42.059 0.172 0.000 0.896 547 L HN 0.562 nan 8.230 nan 0.000 0.433 548 H N -1.142 117.766 119.070 -0.269 0.000 2.561 548 H HA -0.083 4.472 4.556 -0.001 0.000 0.278 548 H C 1.305 176.618 175.328 -0.025 0.000 1.014 548 H CA 1.039 56.829 56.048 -0.431 0.000 1.211 548 H CB -0.275 28.997 29.762 -0.818 0.000 1.365 548 H HN 0.439 nan 8.280 nan 0.000 0.594 549 K N 0.471 120.620 120.400 -0.417 0.000 2.374 549 K HA 0.092 4.411 4.320 -0.001 0.000 0.196 549 K C 0.561 177.031 176.600 -0.217 0.000 1.023 549 K CA -0.031 56.093 56.287 -0.271 0.000 1.103 549 K CB 0.403 32.758 32.500 -0.243 0.000 0.848 549 K HN 0.181 nan 8.250 nan 0.000 0.528 550 c N 2.192 120.547 118.600 -0.408 0.000 2.644 550 c HA 0.176 4.745 4.570 -0.001 0.000 0.417 550 c C -0.314 173.686 174.090 -0.149 0.000 1.304 550 c CA -0.201 55.720 56.329 -0.679 0.000 2.035 550 c CB -0.023 41.954 42.510 -0.889 0.000 2.673 550 c HN 0.336 nan 8.230 nan 0.000 0.602 551 D N 4.045 124.387 120.400 -0.097 0.000 2.479 551 D HA 0.227 4.866 4.640 -0.001 0.000 0.246 551 D C 0.526 176.890 176.300 0.107 0.000 1.336 551 D CA -0.548 53.501 54.000 0.080 0.000 0.967 551 D CB 0.744 41.614 40.800 0.116 0.000 1.275 551 D HN 0.649 nan 8.370 nan 0.000 0.577 552 I N 1.175 121.842 120.570 0.162 0.000 3.646 552 I HA 0.220 4.389 4.170 -0.001 0.000 0.301 552 I C 0.412 176.602 176.117 0.121 0.000 1.276 552 I CA -0.493 60.880 61.300 0.122 0.000 1.254 552 I CB -0.548 37.511 38.000 0.099 0.000 1.020 552 I HN 0.194 nan 8.210 nan 0.000 0.473 553 Y N 3.474 123.767 120.300 -0.012 0.000 2.895 553 Y HA -0.166 4.383 4.550 -0.001 0.000 0.334 553 Y C 1.514 177.259 175.900 -0.258 0.000 1.261 553 Y CA 1.275 59.110 58.100 -0.441 0.000 1.560 553 Y CB 0.207 38.428 38.460 -0.399 0.000 1.253 553 Y HN 0.560 nan 8.280 nan 0.000 0.582 554 Q N 2.162 121.354 119.800 -1.014 0.000 2.305 554 Q HA -0.295 4.044 4.340 -0.001 0.000 0.203 554 Q C -0.485 175.344 176.000 -0.286 0.000 0.663 554 Q CA 0.986 56.399 55.803 -0.650 0.000 1.389 554 Q CB -1.405 27.032 28.738 -0.502 0.000 1.566 554 Q HN 0.643 nan 8.270 nan 0.000 0.755 555 S N 0.181 115.764 115.700 -0.196 0.000 2.430 555 S HA 0.182 4.651 4.470 -0.001 0.000 0.282 555 S C 0.947 175.492 174.600 -0.091 0.000 1.186 555 S CA -0.440 57.700 58.200 -0.101 0.000 1.060 555 S CB 0.759 63.928 63.200 -0.051 0.000 0.966 555 S HN 0.270 nan 8.310 nan 0.000 0.501 556 K N 4.129 124.482 120.400 -0.080 0.000 2.155 556 K HA -0.013 4.307 4.320 -0.001 0.000 0.203 556 K C 1.559 178.130 176.600 -0.047 0.000 1.052 556 K CA 1.127 57.376 56.287 -0.064 0.000 0.948 556 K CB -0.222 32.244 32.500 -0.056 0.000 0.728 556 K HN 0.630 nan 8.250 nan 0.000 0.448 557 E N 1.020 121.196 120.200 -0.040 0.000 2.106 557 E HA -0.094 4.255 4.350 -0.001 0.000 0.192 557 E C 1.929 178.508 176.600 -0.035 0.000 0.984 557 E CA 1.309 57.690 56.400 -0.032 0.000 0.806 557 E CB -0.318 29.368 29.700 -0.024 0.000 0.750 557 E HN 0.290 nan 8.360 nan 0.000 0.458 558 A N 0.634 123.431 122.820 -0.038 0.000 1.855 558 A HA -0.055 4.265 4.320 -0.001 0.000 0.215 558 A C 2.494 180.047 177.584 -0.051 0.000 1.191 558 A CA 1.776 53.789 52.037 -0.041 0.000 0.613 558 A CB -1.335 17.647 19.000 -0.030 0.000 0.829 558 A HN 0.352 nan 8.150 nan 0.000 0.442 559 G N -0.948 107.823 108.800 -0.047 0.000 2.442 559 G HA2 -0.299 3.660 3.960 -0.001 0.000 0.219 559 G HA3 -0.299 3.660 3.960 -0.001 0.000 0.219 559 G C 1.606 176.476 174.900 -0.050 0.000 1.141 559 G CA 1.436 46.508 45.100 -0.045 0.000 0.763 559 G HN 0.543 nan 8.290 nan 0.000 0.554 560 Q N 0.488 120.261 119.800 -0.045 0.000 2.124 560 Q HA -0.005 4.334 4.340 -0.001 0.000 0.202 560 Q C 2.612 178.584 176.000 -0.048 0.000 0.977 560 Q CA 1.358 57.138 55.803 -0.040 0.000 0.850 560 Q CB -0.264 28.455 28.738 -0.031 0.000 0.901 560 Q HN 0.503 nan 8.270 nan 0.000 0.429 561 R N -0.662 119.804 120.500 -0.057 0.000 2.073 561 R HA -0.016 4.323 4.340 -0.001 0.000 0.229 561 R C 2.361 178.597 176.300 -0.108 0.000 1.120 561 R CA 1.256 57.314 56.100 -0.070 0.000 0.967 561 R CB -0.319 29.938 30.300 -0.072 0.000 0.862 561 R HN 0.305 nan 8.270 nan 0.000 0.436 562 L N 0.170 121.316 121.223 -0.130 0.000 2.056 562 L HA -0.134 4.205 4.340 -0.001 0.000 0.207 562 L C 2.675 179.450 176.870 -0.159 0.000 1.078 562 L CA 1.126 55.859 54.840 -0.179 0.000 0.749 562 L CB -0.550 41.412 42.059 -0.162 0.000 0.901 562 L HN 0.234 nan 8.230 nan 0.000 0.433 563 A N 0.323 123.079 122.820 -0.108 0.000 1.858 563 A HA -0.241 4.078 4.320 -0.001 0.000 0.216 563 A C 2.447 179.995 177.584 -0.061 0.000 1.190 563 A CA 2.422 54.406 52.037 -0.088 0.000 0.617 563 A CB -1.089 17.877 19.000 -0.056 0.000 0.827 563 A HN 0.518 nan 8.150 nan 0.000 0.443 564 T N -2.001 112.528 114.554 -0.041 0.000 2.788 564 T HA 0.035 4.384 4.350 -0.001 0.000 0.268 564 T C 1.899 176.602 174.700 0.004 0.000 1.044 564 T CA 1.811 63.904 62.100 -0.011 0.000 1.139 564 T CB -0.569 68.294 68.868 -0.007 0.000 0.867 564 T HN 0.574 nan 8.240 nan 0.000 0.454 565 A N 1.710 124.519 122.820 -0.019 0.000 1.873 565 A HA 0.201 4.521 4.320 -0.001 0.000 0.215 565 A C 2.560 180.173 177.584 0.049 0.000 1.186 565 A CA 1.501 53.553 52.037 0.024 0.000 0.616 565 A CB -0.751 18.245 19.000 -0.007 0.000 0.823 565 A HN 0.530 nan 8.150 nan 0.000 0.442 566 M N -0.595 118.953 119.600 -0.087 0.000 2.213 566 M HA -0.139 4.340 4.480 -0.001 0.000 0.263 566 M C 1.919 178.321 176.300 0.169 0.000 1.062 566 M CA 1.402 56.611 55.300 -0.152 0.000 1.105 566 M CB -0.342 31.928 32.600 -0.551 0.000 1.385 566 M HN 0.320 nan 8.290 nan 0.000 0.417 567 K N 0.518 120.977 120.400 0.099 0.000 2.280 567 K HA -0.074 4.245 4.320 -0.001 0.000 0.202 567 K C 1.709 178.425 176.600 0.193 0.000 1.047 567 K CA 0.881 57.258 56.287 0.150 0.000 0.942 567 K CB -0.200 32.347 32.500 0.079 0.000 0.739 567 K HN 0.387 nan 8.250 nan 0.000 0.457 568 L N 0.093 121.423 121.223 0.178 0.000 2.291 568 L HA -0.070 4.269 4.340 -0.001 0.000 0.214 568 L C 1.546 178.528 176.870 0.187 0.000 1.120 568 L CA 0.549 55.477 54.840 0.147 0.000 0.799 568 L CB -0.999 41.123 42.059 0.106 0.000 0.925 568 L HN 0.384 nan 8.230 nan 0.000 0.446 569 G N 0.777 109.775 108.800 0.330 0.000 2.634 569 G HA2 -0.429 3.530 3.960 -0.001 0.000 0.309 569 G HA3 -0.429 3.530 3.960 -0.001 0.000 0.309 569 G C 0.171 175.197 174.900 0.210 0.000 1.265 569 G CA 0.678 45.946 45.100 0.280 0.000 0.998 569 G HN 0.242 nan 8.290 nan 0.000 0.551 570 F N 2.357 122.273 119.950 -0.058 0.000 2.750 570 F HA 0.446 4.973 4.527 -0.001 0.000 0.297 570 F C 2.307 178.100 175.800 -0.012 0.000 1.138 570 F CA 0.664 58.641 58.000 -0.038 0.000 1.346 570 F CB 0.048 39.011 39.000 -0.063 0.000 0.965 570 F HN 0.480 nan 8.300 nan 0.000 0.514 571 S N -0.323 115.354 115.700 -0.038 0.000 2.461 571 S HA 0.158 4.627 4.470 -0.001 0.000 0.228 571 S C 0.878 175.387 174.600 -0.152 0.000 1.005 571 S CA 0.185 58.335 58.200 -0.083 0.000 0.942 571 S CB 0.032 63.227 63.200 -0.007 0.000 0.776 571 S HN 0.139 nan 8.310 nan 0.000 0.514 572 R N 0.917 121.316 120.500 -0.169 0.000 2.808 572 R HA 0.552 4.891 4.340 -0.001 0.000 0.272 572 R C -3.357 172.822 176.300 -0.202 0.000 0.995 572 R CA -2.418 53.586 56.100 -0.160 0.000 0.917 572 R CB -0.042 30.210 30.300 -0.080 0.000 1.217 572 R HN 0.063 nan 8.270 nan 0.000 0.471 573 P HA -0.044 nan 4.420 nan 0.000 0.264 573 P C 1.060 178.269 177.300 -0.152 0.000 1.183 573 P CA -0.073 62.907 63.100 -0.199 0.000 0.763 573 P CB 0.253 31.822 31.700 -0.219 0.000 0.807 574 W N 4.362 125.608 121.300 -0.090 0.000 2.341 574 W HA -0.103 4.557 4.660 -0.001 0.000 0.283 574 W C -1.723 174.798 176.519 0.005 0.000 1.215 574 W CA 0.947 58.202 57.345 -0.149 0.000 1.211 574 W CB -2.850 26.502 29.460 -0.180 0.000 1.131 574 W HN 0.338 nan 8.180 nan 0.000 0.552 575 P HA -0.177 nan 4.420 nan 0.000 0.219 575 P C 1.386 178.693 177.300 0.013 0.000 1.146 575 P CA 2.512 65.398 63.100 -0.357 0.000 0.808 575 P CB -0.255 31.086 31.700 -0.598 0.000 0.779 576 E N -0.623 119.568 120.200 -0.014 0.000 2.072 576 E HA -0.115 4.234 4.350 -0.001 0.000 0.191 576 E C 2.078 178.750 176.600 0.119 0.000 0.985 576 E CA 1.112 57.533 56.400 0.035 0.000 0.801 576 E CB -0.468 29.227 29.700 -0.007 0.000 0.750 576 E HN 0.164 nan 8.360 nan 0.000 0.452 577 A N 1.004 123.922 122.820 0.164 0.000 1.969 577 A HA -0.176 4.144 4.320 -0.001 0.000 0.218 577 A C 2.083 179.929 177.584 0.437 0.000 1.169 577 A CA 1.298 53.484 52.037 0.248 0.000 0.635 577 A CB -0.347 18.756 19.000 0.172 0.000 0.810 577 A HN 0.195 nan 8.150 nan 0.000 0.445 578 M N -0.413 119.558 119.600 0.618 0.000 2.132 578 M HA -0.143 4.337 4.480 -0.001 0.000 0.263 578 M C 2.096 178.610 176.300 0.356 0.000 1.065 578 M CA 2.298 57.996 55.300 0.665 0.000 1.122 578 M CB -0.593 32.508 32.600 0.836 0.000 1.365 578 M HN 0.484 nan 8.290 nan 0.000 0.411 579 Q N -0.244 119.707 119.800 0.251 0.000 2.084 579 Q HA -0.106 4.233 4.340 -0.001 0.000 0.202 579 Q C 1.967 178.035 176.000 0.114 0.000 0.978 579 Q CA 1.911 57.806 55.803 0.155 0.000 0.844 579 Q CB -0.308 28.491 28.738 0.102 0.000 0.898 579 Q HN 0.643 nan 8.270 nan 0.000 0.426 580 L N -0.118 121.167 121.223 0.104 0.000 2.079 580 L HA -0.206 4.133 4.340 -0.001 0.000 0.210 580 L C 2.150 179.037 176.870 0.028 0.000 1.081 580 L CA 1.066 55.941 54.840 0.058 0.000 0.752 580 L CB -0.322 41.768 42.059 0.052 0.000 0.896 580 L HN 0.355 nan 8.230 nan 0.000 0.433 581 I N -1.061 119.521 120.570 0.020 0.000 2.494 581 I HA -0.154 4.015 4.170 -0.001 0.000 0.250 581 I C 2.386 178.514 176.117 0.019 0.000 1.112 581 I CA 1.599 62.860 61.300 -0.065 0.000 1.438 581 I CB -0.214 37.599 38.000 -0.313 0.000 1.111 581 I HN 0.310 nan 8.210 nan 0.000 0.431 582 T N -2.953 111.664 114.554 0.105 0.000 3.001 582 T HA 0.333 4.683 4.350 -0.001 0.000 0.251 582 T C 1.537 176.304 174.700 0.112 0.000 1.040 582 T CA 0.496 62.678 62.100 0.137 0.000 0.985 582 T CB 0.848 69.846 68.868 0.217 0.000 1.011 582 T HN 0.469 nan 8.240 nan 0.000 0.509 583 G N 1.399 110.259 108.800 0.100 0.000 2.176 583 G HA2 -0.182 3.777 3.960 -0.001 0.000 0.253 583 G HA3 -0.182 3.777 3.960 -0.001 0.000 0.253 583 G C -0.168 174.787 174.900 0.091 0.000 0.979 583 G CA 0.401 45.550 45.100 0.081 0.000 0.641 583 G HN 1.050 nan 8.290 nan 0.000 0.530 584 Q N -1.399 118.474 119.800 0.121 0.000 2.501 584 Q HA 0.794 5.133 4.340 -0.001 0.000 0.288 584 Q C -2.625 173.472 176.000 0.162 0.000 1.051 584 Q CA -1.401 54.476 55.803 0.123 0.000 0.788 584 Q CB 2.070 30.881 28.738 0.122 0.000 1.469 584 Q HN 0.101 nan 8.270 nan 0.000 0.416 585 P HA 0.168 nan 4.420 nan 0.000 0.272 585 P C -0.877 176.564 177.300 0.234 0.000 1.276 585 P CA 0.210 63.402 63.100 0.154 0.000 0.871 585 P CB 0.555 32.280 31.700 0.042 0.000 1.313 586 N N 0.306 119.164 118.700 0.264 0.000 2.477 586 N HA 0.331 5.070 4.740 -0.001 0.000 0.284 586 N C 0.309 176.058 175.510 0.399 0.000 1.182 586 N CA -0.696 52.564 53.050 0.350 0.000 0.949 586 N CB 0.667 39.295 38.487 0.235 0.000 1.204 586 N HN -0.060 nan 8.380 nan 0.000 0.526 587 M N 0.363 120.212 119.600 0.414 0.000 2.250 587 M HA 0.239 4.719 4.480 -0.001 0.000 0.344 587 M C 0.205 176.613 176.300 0.179 0.000 1.150 587 M CA 0.178 55.627 55.300 0.247 0.000 1.147 587 M CB 0.973 33.686 32.600 0.189 0.000 1.498 587 M HN 0.478 nan 8.290 nan 0.000 0.461 588 S N 0.589 116.357 115.700 0.113 0.000 2.543 588 S HA 0.618 5.087 4.470 -0.001 0.000 0.273 588 S C -0.124 174.509 174.600 0.056 0.000 1.152 588 S CA -0.374 57.884 58.200 0.096 0.000 0.910 588 S CB 1.604 64.869 63.200 0.109 0.000 1.105 588 S HN 0.747 nan 8.310 nan 0.000 0.465 589 A N 2.941 125.787 122.820 0.044 0.000 2.251 589 A HA 0.238 4.557 4.320 -0.001 0.000 0.209 589 A C 1.901 179.502 177.584 0.029 0.000 1.187 589 A CA 1.049 53.094 52.037 0.012 0.000 0.823 589 A CB -0.643 18.354 19.000 -0.005 0.000 0.846 589 A HN 0.774 nan 8.150 nan 0.000 0.486 590 S N 0.452 116.185 115.700 0.055 0.000 2.365 590 S HA -0.183 4.286 4.470 -0.001 0.000 0.225 590 S C 2.340 176.991 174.600 0.085 0.000 1.039 590 S CA 1.451 59.691 58.200 0.067 0.000 1.033 590 S CB -0.373 62.873 63.200 0.076 0.000 0.887 590 S HN 0.819 nan 8.310 nan 0.000 0.447 591 A N 1.363 124.246 122.820 0.104 0.000 1.877 591 A HA -0.091 4.228 4.320 -0.001 0.000 0.216 591 A C 2.146 179.824 177.584 0.156 0.000 1.186 591 A CA 1.811 53.942 52.037 0.157 0.000 0.620 591 A CB -0.664 18.450 19.000 0.189 0.000 0.822 591 A HN 0.532 nan 8.150 nan 0.000 0.443 592 M N -0.526 119.099 119.600 0.042 0.000 2.117 592 M HA -0.101 4.378 4.480 -0.001 0.000 0.262 592 M C 1.896 178.185 176.300 -0.017 0.000 1.065 592 M CA 1.602 56.748 55.300 -0.256 0.000 1.114 592 M CB -0.271 32.101 32.600 -0.379 0.000 1.361 592 M HN 0.421 nan 8.290 nan 0.000 0.408 593 L N -0.958 120.289 121.223 0.040 0.000 2.046 593 L HA -0.191 4.148 4.340 -0.001 0.000 0.208 593 L C 2.698 179.647 176.870 0.132 0.000 1.077 593 L CA 1.438 56.332 54.840 0.091 0.000 0.747 593 L CB -0.845 41.246 42.059 0.053 0.000 0.896 593 L HN 0.412 nan 8.230 nan 0.000 0.432 594 S N -0.706 115.068 115.700 0.124 0.000 2.368 594 S HA -0.272 4.198 4.470 -0.001 0.000 0.225 594 S C 2.081 176.770 174.600 0.148 0.000 1.030 594 S CA 1.183 59.461 58.200 0.129 0.000 0.999 594 S CB -0.393 62.885 63.200 0.130 0.000 0.844 594 S HN 0.473 nan 8.310 nan 0.000 0.459 595 Y N 0.519 120.826 120.300 0.011 0.000 2.165 595 Y HA -0.097 4.452 4.550 -0.001 0.000 0.286 595 Y C 1.413 177.153 175.900 -0.267 0.000 1.155 595 Y CA 2.024 60.069 58.100 -0.091 0.000 1.164 595 Y CB -0.298 38.055 38.460 -0.178 0.000 0.978 595 Y HN 0.378 nan 8.280 nan 0.000 0.513 596 F N -0.141 119.919 119.950 0.182 0.000 2.765 596 F HA 0.131 4.657 4.527 -0.001 0.000 0.302 596 F C 1.979 177.785 175.800 0.011 0.000 1.111 596 F CA 0.107 58.143 58.000 0.060 0.000 1.359 596 F CB -0.051 38.963 39.000 0.025 0.000 1.097 596 F HN -0.082 nan 8.300 nan 0.000 0.577 597 K N 2.118 122.611 120.400 0.155 0.000 2.052 597 K HA -0.194 4.126 4.320 -0.001 0.000 0.215 597 K C -1.030 175.631 176.600 0.103 0.000 1.053 597 K CA 2.132 58.489 56.287 0.116 0.000 0.934 597 K CB -1.554 31.001 32.500 0.092 0.000 0.717 597 K HN 0.071 nan 8.250 nan 0.000 0.450 598 P HA -0.128 nan 4.420 nan 0.000 0.216 598 P C 1.263 178.635 177.300 0.120 0.000 1.150 598 P CA 0.967 64.111 63.100 0.073 0.000 0.837 598 P CB -0.001 31.702 31.700 0.006 0.000 0.786 599 L N -0.993 120.299 121.223 0.115 0.000 2.072 599 L HA -0.067 4.273 4.340 -0.001 0.000 0.205 599 L C 2.114 179.106 176.870 0.204 0.000 1.079 599 L CA 1.495 56.438 54.840 0.171 0.000 0.752 599 L CB -1.449 40.725 42.059 0.191 0.000 0.906 599 L HN -0.145 nan 8.230 nan 0.000 0.436 600 L N -0.328 120.989 121.223 0.157 0.000 2.042 600 L HA -0.235 4.104 4.340 -0.001 0.000 0.210 600 L C 2.024 178.954 176.870 0.100 0.000 1.076 600 L CA 2.008 56.913 54.840 0.108 0.000 0.749 600 L CB -0.996 41.115 42.059 0.086 0.000 0.893 600 L HN 0.334 nan 8.230 nan 0.000 0.432 601 D N -1.450 119.020 120.400 0.117 0.000 2.117 601 D HA -0.245 4.394 4.640 -0.001 0.000 0.198 601 D C 1.801 178.166 176.300 0.109 0.000 0.982 601 D CA 1.494 55.551 54.000 0.096 0.000 0.828 601 D CB -0.461 40.401 40.800 0.102 0.000 0.967 601 D HN 0.600 nan 8.370 nan 0.000 0.464 602 W N 1.627 122.933 121.300 0.009 0.000 2.358 602 W HA -0.073 4.587 4.660 -0.001 0.000 0.303 602 W C 2.062 178.556 176.519 -0.042 0.000 1.208 602 W CA 0.963 58.309 57.345 0.002 0.000 1.274 602 W CB -0.356 29.112 29.460 0.013 0.000 1.138 602 W HN -0.112 nan 8.180 nan 0.000 0.515 603 L N 0.221 121.492 121.223 0.080 0.000 2.046 603 L HA -0.190 4.149 4.340 -0.001 0.000 0.208 603 L C 2.704 179.479 176.870 -0.159 0.000 1.077 603 L CA 1.538 56.319 54.840 -0.099 0.000 0.747 603 L CB -0.809 41.278 42.059 0.046 0.000 0.896 603 L HN -0.075 nan 8.230 nan 0.000 0.432 604 R N -0.773 119.675 120.500 -0.085 0.000 2.081 604 R HA -0.129 4.210 4.340 -0.001 0.000 0.235 604 R C 2.297 178.520 176.300 -0.129 0.000 1.131 604 R CA 1.925 57.980 56.100 -0.075 0.000 0.960 604 R CB -0.530 29.750 30.300 -0.034 0.000 0.856 604 R HN 0.316 nan 8.270 nan 0.000 0.436 605 T N 0.501 114.944 114.554 -0.184 0.000 2.746 605 T HA -0.170 4.179 4.350 -0.001 0.000 0.267 605 T C 1.630 176.149 174.700 -0.302 0.000 1.039 605 T CA 1.619 63.589 62.100 -0.216 0.000 1.142 605 T CB -0.153 68.584 68.868 -0.219 0.000 0.866 605 T HN 0.271 nan 8.240 nan 0.000 0.444 606 E N 1.737 121.634 120.200 -0.505 0.000 2.047 606 E HA -0.116 4.233 4.350 -0.001 0.000 0.191 606 E C 2.097 178.630 176.600 -0.110 0.000 0.987 606 E CA 1.250 57.368 56.400 -0.471 0.000 0.799 606 E CB -0.343 28.772 29.700 -0.976 0.000 0.752 606 E HN 0.261 nan 8.360 nan 0.000 0.449 607 N N 0.600 119.249 118.700 -0.085 0.000 2.166 607 N HA -0.174 4.565 4.740 -0.001 0.000 0.186 607 N C 1.664 177.177 175.510 0.005 0.000 1.019 607 N CA 1.299 54.367 53.050 0.030 0.000 0.856 607 N CB -0.295 38.208 38.487 0.027 0.000 0.993 607 N HN 0.452 nan 8.380 nan 0.000 0.426 608 E N 0.934 121.099 120.200 -0.057 0.000 2.047 608 E HA -0.157 4.193 4.350 -0.001 0.000 0.191 608 E C 1.895 178.444 176.600 -0.085 0.000 0.987 608 E CA 0.894 57.258 56.400 -0.061 0.000 0.799 608 E CB -0.013 29.643 29.700 -0.073 0.000 0.752 608 E HN 0.302 nan 8.360 nan 0.000 0.449 609 L N -1.284 119.848 121.223 -0.153 0.000 2.275 609 L HA -0.017 4.323 4.340 -0.001 0.000 0.215 609 L C 1.449 178.143 176.870 -0.293 0.000 1.119 609 L CA 1.722 56.422 54.840 -0.233 0.000 0.790 609 L CB -0.582 41.289 42.059 -0.312 0.000 0.919 609 L HN 0.073 nan 8.230 nan 0.000 0.443 610 H N 0.361 119.392 119.070 -0.065 0.000 2.551 610 H HA 0.437 4.992 4.556 -0.001 0.000 0.271 610 H C 1.391 176.688 175.328 -0.052 0.000 0.984 610 H CA 0.299 56.313 56.048 -0.057 0.000 1.164 610 H CB 0.251 29.978 29.762 -0.058 0.000 1.437 610 H HN 0.489 nan 8.280 nan 0.000 0.550 611 G N 1.568 110.386 108.800 0.030 0.000 2.295 611 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.287 611 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.287 611 G C -0.331 174.581 174.900 0.019 0.000 1.055 611 G CA -0.084 45.022 45.100 0.011 0.000 0.922 611 G HN 0.321 nan 8.290 nan 0.000 0.503 612 E N -0.120 120.100 120.200 0.033 0.000 2.373 612 E HA 0.219 4.568 4.350 -0.001 0.000 0.267 612 E C 0.545 177.159 176.600 0.023 0.000 1.032 612 E CA -0.149 56.268 56.400 0.029 0.000 0.889 612 E CB 1.150 30.878 29.700 0.047 0.000 0.984 612 E HN 0.507 nan 8.360 nan 0.000 0.425 613 K N 4.295 124.712 120.400 0.028 0.000 2.299 613 K HA 0.225 4.544 4.320 -0.001 0.000 0.268 613 K C -0.214 176.410 176.600 0.040 0.000 1.075 613 K CA -0.404 55.897 56.287 0.023 0.000 0.936 613 K CB 0.156 32.670 32.500 0.023 0.000 1.228 613 K HN 0.404 nan 8.250 nan 0.000 0.454 614 L N 3.544 124.777 121.223 0.017 0.000 2.483 614 L HA 0.182 4.521 4.340 -0.001 0.000 0.276 614 L C 1.059 177.892 176.870 -0.062 0.000 1.213 614 L CA 0.993 55.840 54.840 0.011 0.000 0.843 614 L CB 0.111 42.155 42.059 -0.025 0.000 1.107 614 L HN 1.059 nan 8.230 nan 0.000 0.487 615 G N 2.250 110.991 108.800 -0.099 0.000 2.615 615 G HA2 -0.226 3.734 3.960 -0.001 0.000 0.218 615 G HA3 -0.226 3.734 3.960 -0.001 0.000 0.218 615 G C -1.356 173.528 174.900 -0.026 0.000 1.339 615 G CA -0.025 44.790 45.100 -0.476 0.000 0.884 615 G HN 1.032 nan 8.290 nan 0.000 0.559 616 W N -1.117 120.190 121.300 0.011 0.000 2.409 616 W HA 0.631 5.290 4.660 -0.002 0.000 0.285 616 W C -0.787 175.749 176.519 0.029 0.000 1.030 616 W CA -1.075 56.292 57.345 0.038 0.000 1.330 616 W CB 0.077 29.573 29.460 0.059 0.000 1.236 616 W HN 0.658 nan 8.180 nan 0.000 0.341 617 P HA 0.024 nan 4.420 nan 0.000 0.211 617 P C 0.115 177.475 177.300 0.099 0.000 1.179 617 P CA 2.911 66.034 63.100 0.038 0.000 0.910 617 P CB 0.205 31.919 31.700 0.022 0.000 0.785 618 Q N 0.000 119.868 119.800 0.113 0.000 2.315 618 Q HA 0.000 4.339 4.340 -0.001 0.000 0.214 618 Q CA 0.000 nan 55.803 nan 0.000 1.022 618 Q CB 0.000 nan 28.738 nan 0.000 1.108 618 Q HN 0.000 nan 8.270 nan 0.000 0.481